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 2nqk_1_A DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMNGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG 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 0.000 176.864 176.870 -0.010 0.000 1.165 7 L CA 0.000 54.851 54.840 0.018 0.000 0.813 7 L CB 0.000 42.079 42.059 0.033 0.000 0.961 8 M N 1.690 121.274 119.600 -0.027 0.000 2.217 8 M HA 0.317 4.790 4.480 -0.013 0.000 0.354 8 M C 0.339 176.577 176.300 -0.103 0.000 1.225 8 M CA 0.082 55.323 55.300 -0.099 0.000 1.137 8 M CB 1.236 33.717 32.600 -0.199 0.000 1.576 8 M HN 0.322 nan 8.290 nan 0.000 0.461 9 S N 4.915 120.542 115.700 -0.121 0.000 2.584 9 S HA 0.189 4.651 4.470 -0.013 0.000 0.273 9 S C 0.902 175.426 174.600 -0.127 0.000 1.311 9 S CA -0.925 57.218 58.200 -0.095 0.000 1.034 9 S CB 1.085 64.237 63.200 -0.081 0.000 0.939 9 S HN 0.979 nan 8.310 nan 0.000 0.513 10 L N 1.733 122.911 121.223 -0.076 0.000 2.017 10 L HA -0.090 4.242 4.340 -0.013 0.000 0.208 10 L C 2.292 179.092 176.870 -0.117 0.000 1.073 10 L CA 2.659 57.449 54.840 -0.083 0.000 0.745 10 L CB -0.871 41.194 42.059 0.009 0.000 0.894 10 L HN 1.065 nan 8.230 nan 0.000 0.432 11 D N -1.079 119.271 120.400 -0.085 0.000 2.104 11 D HA -0.233 4.399 4.640 -0.013 0.000 0.194 11 D C 1.797 178.020 176.300 -0.128 0.000 0.994 11 D CA 2.120 56.068 54.000 -0.088 0.000 0.830 11 D CB 0.121 40.885 40.800 -0.060 0.000 0.959 11 D HN 0.211 nan 8.370 nan 0.000 0.452 12 T N -0.394 114.070 114.554 -0.150 0.000 2.759 12 T HA -0.159 4.183 4.350 -0.013 0.000 0.269 12 T C 1.901 176.432 174.700 -0.282 0.000 1.042 12 T CA 1.559 63.547 62.100 -0.187 0.000 1.140 12 T CB -0.542 68.207 68.868 -0.198 0.000 0.864 12 T HN 0.369 nan 8.240 nan 0.000 0.455 13 A N 1.212 123.805 122.820 -0.377 0.000 1.840 13 A HA 0.103 4.415 4.320 -0.013 0.000 0.214 13 A C 2.295 179.685 177.584 -0.322 0.000 1.198 13 A CA 0.935 52.613 52.037 -0.599 0.000 0.608 13 A CB -1.024 17.638 19.000 -0.563 0.000 0.839 13 A HN 0.430 nan 8.150 nan 0.000 0.443 14 L N -0.112 120.974 121.223 -0.228 0.000 1.997 14 L HA -0.322 4.010 4.340 -0.013 0.000 0.216 14 L C 2.267 179.036 176.870 -0.168 0.000 1.074 14 L CA 2.505 57.231 54.840 -0.190 0.000 0.763 14 L CB -0.633 41.328 42.059 -0.163 0.000 0.890 14 L HN 0.554 nan 8.230 nan 0.000 0.434 15 N N -0.928 117.686 118.700 -0.144 0.000 2.223 15 N HA -0.239 4.493 4.740 -0.013 0.000 0.185 15 N C 1.710 177.167 175.510 -0.090 0.000 1.016 15 N CA 1.134 54.119 53.050 -0.108 0.000 0.863 15 N CB 0.047 38.481 38.487 -0.088 0.000 0.983 15 N HN 0.377 nan 8.380 nan 0.000 0.429 16 E N 0.411 120.555 120.200 -0.094 0.000 2.072 16 E HA -0.087 4.256 4.350 -0.013 0.000 0.190 16 E C 1.841 178.439 176.600 -0.002 0.000 0.982 16 E CA 0.682 57.075 56.400 -0.012 0.000 0.803 16 E CB 0.161 29.873 29.700 0.019 0.000 0.755 16 E HN 0.325 nan 8.360 nan 0.000 0.453 17 M N 0.279 119.812 119.600 -0.111 0.000 2.080 17 M HA -0.203 4.270 4.480 -0.013 0.000 0.260 17 M C 2.277 178.420 176.300 -0.262 0.000 1.068 17 M CA 1.416 56.494 55.300 -0.371 0.000 1.109 17 M CB -0.225 31.981 32.600 -0.657 0.000 1.342 17 M HN 0.188 nan 8.290 nan 0.000 0.405 18 L N -0.337 120.768 121.223 -0.196 0.000 2.093 18 L HA -0.159 4.174 4.340 -0.013 0.000 0.208 18 L C 2.760 179.574 176.870 -0.094 0.000 1.085 18 L CA 1.400 56.147 54.840 -0.156 0.000 0.755 18 L CB -0.766 41.217 42.059 -0.127 0.000 0.904 18 L HN 0.428 nan 8.230 nan 0.000 0.435 19 S N -0.206 115.462 115.700 -0.054 0.000 2.447 19 S HA -0.104 4.358 4.470 -0.013 0.000 0.233 19 S C 1.931 176.554 174.600 0.038 0.000 1.006 19 S CA 0.388 58.585 58.200 -0.004 0.000 0.957 19 S CB -0.219 62.986 63.200 0.009 0.000 0.773 19 S HN 0.407 nan 8.310 nan 0.000 0.507 20 R N 0.555 121.079 120.500 0.040 0.000 2.246 20 R HA 0.278 4.610 4.340 -0.013 0.000 0.199 20 R C -0.006 176.400 176.300 0.177 0.000 0.984 20 R CA 0.187 56.376 56.100 0.149 0.000 1.015 20 R CB -0.296 30.147 30.300 0.239 0.000 0.930 20 R HN 0.339 nan 8.270 nan 0.000 0.475 21 V N 1.885 121.796 119.914 -0.006 0.000 2.539 21 V HA 0.191 4.304 4.120 -0.013 0.000 0.292 21 V C 0.139 176.295 176.094 0.103 0.000 1.045 21 V CA -0.215 62.090 62.300 0.009 0.000 0.945 21 V CB 1.905 33.578 31.823 -0.250 0.000 0.993 21 V HN 0.060 nan 8.190 nan 0.000 0.464 22 T N 6.446 121.117 114.554 0.194 0.000 2.791 22 T HA 0.424 4.766 4.350 -0.013 0.000 0.288 22 T C -2.539 172.230 174.700 0.115 0.000 0.999 22 T CA -1.067 61.116 62.100 0.137 0.000 0.952 22 T CB 1.529 70.487 68.868 0.151 0.000 0.938 22 T HN 0.450 nan 8.240 nan 0.000 0.444 23 P HA 0.127 nan 4.420 nan 0.000 0.267 23 P C -0.194 177.142 177.300 0.058 0.000 1.200 23 P CA -0.675 62.456 63.100 0.051 0.000 0.772 23 P CB 0.400 32.116 31.700 0.027 0.000 0.855 24 L N 2.143 123.398 121.223 0.054 0.000 2.482 24 L HA 0.119 4.452 4.340 -0.013 0.000 0.273 24 L C 1.659 178.549 176.870 0.034 0.000 1.228 24 L CA 1.270 56.139 54.840 0.048 0.000 0.827 24 L CB -0.422 41.663 42.059 0.043 0.000 1.099 24 L HN 0.621 nan 8.230 nan 0.000 0.494 25 T N -2.464 112.108 114.554 0.030 0.000 3.048 25 T HA 0.339 4.681 4.350 -0.013 0.000 0.254 25 T C 0.650 175.362 174.700 0.019 0.000 0.942 25 T CA 0.284 62.397 62.100 0.023 0.000 0.931 25 T CB -0.261 68.621 68.868 0.023 0.000 1.220 25 T HN 0.605 nan 8.240 nan 0.000 0.503 26 A N 2.921 125.753 122.820 0.021 0.000 2.598 26 A HA 0.376 4.689 4.320 -0.013 0.000 0.239 26 A C 0.485 178.078 177.584 0.015 0.000 1.032 26 A CA 0.132 52.180 52.037 0.017 0.000 0.760 26 A CB -0.299 18.712 19.000 0.018 0.000 0.946 26 A HN 0.784 nan 8.150 nan 0.000 0.512 27 Q N 1.561 121.368 119.800 0.013 0.000 2.445 27 Q HA 0.770 5.102 4.340 -0.013 0.000 0.281 27 Q C -0.894 175.112 176.000 0.011 0.000 1.101 27 Q CA -0.780 55.029 55.803 0.011 0.000 0.833 27 Q CB 1.679 30.423 28.738 0.010 0.000 1.416 27 Q HN 0.811 nan 8.270 nan 0.000 0.451 28 E N 0.150 120.355 120.200 0.010 0.000 2.352 28 E HA 0.424 4.766 4.350 -0.013 0.000 0.280 28 E C -1.395 175.210 176.600 0.009 0.000 0.930 28 E CA -0.941 55.465 56.400 0.010 0.000 0.765 28 E CB 1.945 31.651 29.700 0.011 0.000 1.219 28 E HN 0.514 nan 8.360 nan 0.000 0.434 29 T N 3.099 117.659 114.554 0.010 0.000 2.767 29 T HA 0.484 4.826 4.350 -0.013 0.000 0.288 29 T C -0.255 174.452 174.700 0.011 0.000 0.963 29 T CA -0.441 61.666 62.100 0.011 0.000 1.019 29 T CB 0.209 69.084 68.868 0.012 0.000 0.923 29 T HN 0.309 nan 8.240 nan 0.000 0.468 30 L N 4.994 126.223 121.223 0.011 0.000 2.370 30 L HA 0.527 4.860 4.340 -0.013 0.000 0.266 30 L C -2.244 174.634 176.870 0.015 0.000 1.002 30 L CA -2.863 51.985 54.840 0.013 0.000 0.818 30 L CB 2.590 44.657 42.059 0.014 0.000 1.325 30 L HN 0.352 nan 8.230 nan 0.000 0.418 31 P HA 0.072 nan 4.420 nan 0.000 0.269 31 P C 0.867 178.179 177.300 0.021 0.000 1.209 31 P CA -0.201 62.910 63.100 0.019 0.000 0.776 31 P CB 0.865 32.577 31.700 0.019 0.000 0.876 32 L N 2.872 124.108 121.223 0.022 0.000 2.043 32 L HA -0.181 4.151 4.340 -0.013 0.000 0.212 32 L C 2.568 179.459 176.870 0.035 0.000 1.075 32 L CA 1.457 56.310 54.840 0.023 0.000 0.752 32 L CB -1.119 40.955 42.059 0.025 0.000 0.891 32 L HN 0.229 nan 8.230 nan 0.000 0.432 33 V N -0.187 119.749 119.914 0.037 0.000 2.794 33 V HA -0.283 3.830 4.120 -0.013 0.000 0.260 33 V C 1.878 178.007 176.094 0.058 0.000 1.103 33 V CA 1.799 64.128 62.300 0.047 0.000 1.125 33 V CB -0.295 31.549 31.823 0.035 0.000 0.702 33 V HN 0.565 nan 8.190 nan 0.000 0.494 34 Q N -2.239 117.590 119.800 0.048 0.000 2.188 34 Q HA 0.174 4.507 4.340 -0.013 0.000 0.212 34 Q C 1.190 177.224 176.000 0.056 0.000 0.846 34 Q CA 0.057 55.890 55.803 0.051 0.000 0.989 34 Q CB 0.463 29.221 28.738 0.034 0.000 1.114 34 Q HN 0.659 nan 8.270 nan 0.000 0.488 35 C N 0.424 119.758 119.300 0.057 0.000 2.884 35 C HA 0.264 4.716 4.460 -0.013 0.000 0.287 35 C C 0.449 175.454 174.990 0.024 0.000 1.310 35 C CA -0.820 58.212 59.018 0.024 0.000 1.725 35 C CB -1.259 26.472 27.740 -0.016 0.000 2.060 35 C HN 0.423 nan 8.230 nan 0.000 0.618 36 F N 1.442 121.375 119.950 -0.028 0.000 2.578 36 F HA 0.443 4.962 4.527 -0.013 0.000 0.376 36 F C 1.405 177.186 175.800 -0.033 0.000 1.085 36 F CA 2.091 60.072 58.000 -0.033 0.000 1.260 36 F CB 0.516 39.501 39.000 -0.025 0.000 1.095 36 F HN 0.464 nan 8.300 nan 0.000 0.573 37 G N 4.036 112.662 108.800 -0.290 0.000 2.225 37 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.254 37 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.254 37 G C 0.526 175.377 174.900 -0.081 0.000 0.988 37 G CA -0.226 44.825 45.100 -0.081 0.000 0.625 37 G HN 0.602 nan 8.290 nan 0.000 0.527 38 R N 0.352 120.802 120.500 -0.083 0.000 2.582 38 R HA 0.494 4.826 4.340 -0.013 0.000 0.271 38 R C 0.594 176.838 176.300 -0.093 0.000 1.078 38 R CA -0.418 55.645 56.100 -0.062 0.000 1.127 38 R CB 0.435 30.714 30.300 -0.035 0.000 1.038 38 R HN 0.264 nan 8.270 nan 0.000 0.500 39 I N 3.021 123.554 120.570 -0.062 0.000 2.353 39 I HA 0.230 4.393 4.170 -0.013 0.000 0.293 39 I C 0.825 176.913 176.117 -0.048 0.000 0.992 39 I CA -0.851 60.411 61.300 -0.062 0.000 1.268 39 I CB 0.663 38.638 38.000 -0.042 0.000 1.387 39 I HN 0.323 nan 8.210 nan 0.000 0.478 40 L N 4.836 126.027 121.223 -0.053 0.000 2.462 40 L HA 0.080 4.412 4.340 -0.013 0.000 0.272 40 L C 1.443 178.308 176.870 -0.009 0.000 1.166 40 L CA -0.013 54.809 54.840 -0.029 0.000 0.880 40 L CB 1.230 43.277 42.059 -0.020 0.000 1.142 40 L HN 0.831 nan 8.230 nan 0.000 0.473 41 A N 2.865 125.684 122.820 -0.001 0.000 1.975 41 A HA 0.078 4.391 4.320 -0.013 0.000 0.215 41 A C 0.943 178.534 177.584 0.011 0.000 1.170 41 A CA 0.621 52.661 52.037 0.005 0.000 0.656 41 A CB 0.138 19.142 19.000 0.007 0.000 0.821 41 A HN 0.627 nan 8.150 nan 0.000 0.449 42 S N 0.071 115.780 115.700 0.015 0.000 2.570 42 S HA 0.430 4.893 4.470 -0.013 0.000 0.286 42 S C -1.547 173.072 174.600 0.032 0.000 1.099 42 S CA -0.835 57.377 58.200 0.021 0.000 0.913 42 S CB 1.302 64.513 63.200 0.019 0.000 1.085 42 S HN 0.329 nan 8.310 nan 0.000 0.480 43 D N 1.690 122.110 120.400 0.033 0.000 2.493 43 D HA 0.127 4.760 4.640 -0.013 0.000 0.240 43 D C -0.330 176.000 176.300 0.050 0.000 1.142 43 D CA 0.318 54.345 54.000 0.044 0.000 0.872 43 D CB 0.472 41.289 40.800 0.029 0.000 1.173 43 D HN 0.100 nan 8.370 nan 0.000 0.467 44 V N 3.746 123.707 119.914 0.079 0.000 2.408 44 V HA 0.119 4.232 4.120 -0.013 0.000 0.267 44 V C 0.374 176.487 176.094 0.032 0.000 1.047 44 V CA -0.468 61.877 62.300 0.077 0.000 0.937 44 V CB 1.348 33.264 31.823 0.155 0.000 0.999 44 V HN 0.217 nan 8.190 nan 0.000 0.472 45 V N 4.598 124.522 119.914 0.018 0.000 2.427 45 V HA 0.317 4.429 4.120 -0.013 0.000 0.286 45 V C 0.514 176.604 176.094 -0.008 0.000 1.034 45 V CA -0.283 62.016 62.300 -0.003 0.000 0.893 45 V CB 1.979 33.803 31.823 0.001 0.000 0.982 45 V HN 0.860 nan 8.190 nan 0.000 0.452 46 S N 6.476 122.160 115.700 -0.026 0.000 2.510 46 S HA 0.259 4.721 4.470 -0.013 0.000 0.279 46 S C -1.085 173.508 174.600 -0.011 0.000 1.284 46 S CA -1.007 57.178 58.200 -0.025 0.000 1.059 46 S CB 0.966 64.139 63.200 -0.046 0.000 0.901 46 S HN 0.697 nan 8.310 nan 0.000 0.491 47 P HA 0.145 nan 4.420 nan 0.000 0.235 47 P C -0.337 176.966 177.300 0.005 0.000 1.177 47 P CA 0.497 63.599 63.100 0.004 0.000 0.785 47 P CB 0.049 31.755 31.700 0.010 0.000 0.885 48 L N -1.525 119.699 121.223 0.002 0.000 2.283 48 L HA 0.569 4.901 4.340 -0.013 0.000 0.259 48 L C -0.066 176.800 176.870 -0.006 0.000 1.027 48 L CA -1.247 53.596 54.840 0.005 0.000 0.828 48 L CB 0.870 42.937 42.059 0.014 0.000 1.380 48 L HN -0.363 nan 8.230 nan 0.000 0.425 49 D N 0.890 121.289 120.400 -0.002 0.000 2.256 49 D HA 0.440 5.072 4.640 -0.013 0.000 0.250 49 D C -0.898 175.383 176.300 -0.031 0.000 1.093 49 D CA 0.021 54.012 54.000 -0.016 0.000 0.882 49 D CB 2.483 43.279 40.800 -0.007 0.000 1.185 49 D HN 0.119 nan 8.370 nan 0.000 0.437 50 V N 4.673 124.556 119.914 -0.053 0.000 2.443 50 V HA 0.271 4.383 4.120 -0.013 0.000 0.293 50 V C -2.150 173.885 176.094 -0.098 0.000 1.021 50 V CA -1.586 60.668 62.300 -0.076 0.000 0.848 50 V CB 1.994 33.779 31.823 -0.064 0.000 0.998 50 V HN 0.397 nan 8.190 nan 0.000 0.424 51 P HA 0.157 nan 4.420 nan 0.000 0.273 51 P C 0.849 178.024 177.300 -0.208 0.000 1.250 51 P CA 0.047 63.000 63.100 -0.245 0.000 0.793 51 P CB 1.118 32.586 31.700 -0.387 0.000 1.011 52 G N -0.466 108.197 108.800 -0.229 0.000 2.880 52 G HA2 0.261 4.213 3.960 -0.013 0.000 0.209 52 G HA3 0.261 4.213 3.960 -0.013 0.000 0.209 52 G C -0.016 174.976 174.900 0.153 0.000 1.157 52 G CA 0.013 45.126 45.100 0.021 0.000 0.779 52 G HN 0.591 nan 8.290 nan 0.000 0.539 53 F N -2.080 117.877 119.950 0.011 0.000 2.741 53 F HA 0.561 5.084 4.527 -0.008 0.000 0.313 53 F C -1.684 174.124 175.800 0.013 0.000 1.153 53 F CA -2.071 55.938 58.000 0.014 0.000 0.931 53 F CB 0.537 39.547 39.000 0.017 0.000 1.335 53 F HN -0.317 nan 8.300 nan 0.000 0.460 54 D N 2.391 122.920 120.400 0.214 0.000 2.383 54 D HA 0.253 4.886 4.640 -0.013 0.000 0.252 54 D C -0.540 175.869 176.300 0.181 0.000 1.166 54 D CA 0.314 54.382 54.000 0.113 0.000 0.879 54 D CB 0.537 41.403 40.800 0.110 0.000 1.164 54 D HN 0.728 nan 8.370 nan 0.000 0.462 55 N N -0.317 118.417 118.700 0.057 0.000 2.647 55 N HA 0.209 4.942 4.740 -0.013 0.000 0.266 55 N C -1.086 174.448 175.510 0.040 0.000 1.373 55 N CA -0.730 52.373 53.050 0.089 0.000 0.807 55 N CB 1.483 39.999 38.487 0.049 0.000 1.513 55 N HN 0.114 nan 8.380 nan 0.000 0.505 56 S N -0.762 114.968 115.700 0.050 0.000 2.528 56 S HA 0.447 4.910 4.470 -0.013 0.000 0.277 56 S C 1.128 175.738 174.600 0.016 0.000 1.297 56 S CA -0.029 58.188 58.200 0.030 0.000 1.052 56 S CB 0.277 63.492 63.200 0.025 0.000 0.917 56 S HN 0.696 nan 8.310 nan 0.000 0.492 57 A N 5.749 128.576 122.820 0.011 0.000 2.119 57 A HA 0.262 4.575 4.320 -0.013 0.000 0.217 57 A C 0.783 178.372 177.584 0.008 0.000 1.153 57 A CA 0.837 52.877 52.037 0.005 0.000 0.692 57 A CB -0.140 18.864 19.000 0.006 0.000 0.799 57 A HN 0.761 nan 8.150 nan 0.000 0.458 58 M N -2.132 117.474 119.600 0.011 0.000 2.683 58 M HA 0.248 4.720 4.480 -0.013 0.000 0.274 58 M C -1.667 174.631 176.300 -0.003 0.000 1.272 58 M CA -0.647 54.658 55.300 0.008 0.000 0.833 58 M CB 1.427 34.036 32.600 0.016 0.000 1.708 58 M HN 0.067 nan 8.290 nan 0.000 0.463 59 N N 0.251 118.943 118.700 -0.013 0.000 2.411 59 N HA 0.608 5.340 4.740 -0.013 0.000 0.259 59 N C 0.037 175.501 175.510 -0.077 0.000 1.103 59 N CA 0.482 53.507 53.050 -0.042 0.000 0.954 59 N CB 1.095 39.562 38.487 -0.034 0.000 1.085 59 N HN 0.855 nan 8.380 nan 0.000 0.485 60 G N 1.161 109.862 108.800 -0.166 0.000 2.539 60 G HA2 0.177 4.129 3.960 -0.013 0.000 0.138 60 G HA3 0.177 4.129 3.960 -0.013 0.000 0.138 60 G C -1.919 172.691 174.900 -0.483 0.000 1.148 60 G CA -0.457 44.494 45.100 -0.249 0.000 1.057 60 G HN 0.368 nan 8.290 nan 0.000 0.511 61 Y N 0.519 120.882 120.300 0.104 0.000 2.477 61 Y HA 0.707 5.249 4.550 -0.013 0.000 0.347 61 Y C 0.448 176.394 175.900 0.078 0.000 0.981 61 Y CA -0.343 57.821 58.100 0.108 0.000 1.033 61 Y CB 2.491 41.115 38.460 0.273 0.000 1.245 61 Y HN 0.739 nan 8.280 nan 0.000 0.455 62 A N 2.743 125.644 122.820 0.134 0.000 2.301 62 A HA 0.786 5.098 4.320 -0.013 0.000 0.298 62 A C -0.500 177.215 177.584 0.218 0.000 1.185 62 A CA -0.393 51.695 52.037 0.086 0.000 0.830 62 A CB 0.113 19.057 19.000 -0.093 0.000 1.112 62 A HN 0.844 nan 8.150 nan 0.000 0.508 63 V N 0.351 120.407 119.914 0.237 0.000 3.181 63 V HA 0.869 4.981 4.120 -0.013 0.000 0.308 63 V C -0.709 175.473 176.094 0.146 0.000 1.214 63 V CA -1.372 61.051 62.300 0.205 0.000 1.053 63 V CB 1.778 33.519 31.823 -0.137 0.000 1.069 63 V HN 0.854 nan 8.190 nan 0.000 0.441 64 R N 1.118 121.603 120.500 -0.025 0.000 2.532 64 R HA 0.612 4.945 4.340 -0.013 0.000 0.295 64 R C 0.726 176.955 176.300 -0.119 0.000 0.968 64 R CA -0.823 55.208 56.100 -0.114 0.000 0.916 64 R CB 1.309 31.454 30.300 -0.259 0.000 1.124 64 R HN 0.669 nan 8.270 nan 0.000 0.463 65 L N 2.020 123.189 121.223 -0.089 0.000 2.129 65 L HA -0.199 4.133 4.340 -0.013 0.000 0.212 65 L C 1.752 178.568 176.870 -0.089 0.000 1.087 65 L CA 2.190 56.981 54.840 -0.081 0.000 0.757 65 L CB -1.184 40.843 42.059 -0.054 0.000 0.896 65 L HN 0.910 nan 8.230 nan 0.000 0.434 66 A N -0.908 121.853 122.820 -0.099 0.000 1.872 66 A HA -0.159 4.154 4.320 -0.013 0.000 0.214 66 A C 1.941 179.468 177.584 -0.096 0.000 1.187 66 A CA 1.320 53.302 52.037 -0.091 0.000 0.614 66 A CB -0.446 18.496 19.000 -0.096 0.000 0.826 66 A HN 0.403 nan 8.150 nan 0.000 0.442 67 D N -0.068 120.258 120.400 -0.123 0.000 2.158 67 D HA -0.172 4.460 4.640 -0.013 0.000 0.197 67 D C 1.733 177.970 176.300 -0.105 0.000 0.995 67 D CA 1.358 55.291 54.000 -0.112 0.000 0.846 67 D CB -0.283 40.439 40.800 -0.131 0.000 0.941 67 D HN 0.376 nan 8.370 nan 0.000 0.456 68 I N 1.484 121.968 120.570 -0.144 0.000 2.179 68 I HA -0.221 3.941 4.170 -0.013 0.000 0.242 68 I C 2.498 178.579 176.117 -0.061 0.000 1.088 68 I CA 0.958 62.175 61.300 -0.139 0.000 1.357 68 I CB -0.421 37.469 38.000 -0.184 0.000 1.051 68 I HN -0.094 nan 8.210 nan 0.000 0.409 69 A N -1.123 121.662 122.820 -0.057 0.000 1.940 69 A HA -0.243 4.069 4.320 -0.013 0.000 0.219 69 A C 2.497 180.066 177.584 -0.025 0.000 1.176 69 A CA 2.125 54.142 52.037 -0.035 0.000 0.631 69 A CB -1.049 17.929 19.000 -0.037 0.000 0.814 69 A HN 0.391 nan 8.150 nan 0.000 0.446 70 S N -1.770 113.911 115.700 -0.031 0.000 2.365 70 S HA 0.035 4.498 4.470 -0.013 0.000 0.225 70 S C 1.694 176.291 174.600 -0.004 0.000 1.039 70 S CA 2.293 60.481 58.200 -0.020 0.000 1.033 70 S CB -0.470 62.714 63.200 -0.027 0.000 0.887 70 S HN 1.852 nan 8.310 nan 0.000 0.447 71 G N 0.591 109.395 108.800 0.005 0.000 2.176 71 G HA2 -0.236 3.716 3.960 -0.013 0.000 0.253 71 G HA3 -0.236 3.716 3.960 -0.013 0.000 0.253 71 G C -0.010 174.916 174.900 0.044 0.000 0.979 71 G CA 0.455 45.573 45.100 0.029 0.000 0.641 71 G HN 0.743 nan 8.290 nan 0.000 0.530 72 Q N 0.753 120.575 119.800 0.038 0.000 2.312 72 Q HA 0.599 4.931 4.340 -0.013 0.000 0.236 72 Q C -2.672 173.369 176.000 0.068 0.000 0.965 72 Q CA -1.697 54.128 55.803 0.038 0.000 0.894 72 Q CB 0.760 29.512 28.738 0.022 0.000 1.225 72 Q HN 0.207 nan 8.270 nan 0.000 0.478 73 P HA 0.160 nan 4.420 nan 0.000 0.269 73 P C -0.869 176.475 177.300 0.074 0.000 1.215 73 P CA 0.046 63.173 63.100 0.046 0.000 0.780 73 P CB 0.410 32.101 31.700 -0.016 0.000 0.898 74 L N 4.015 125.308 121.223 0.118 0.000 2.298 74 L HA 0.429 4.761 4.340 -0.013 0.000 0.284 74 L C -2.344 174.564 176.870 0.065 0.000 1.013 74 L CA -2.447 52.471 54.840 0.130 0.000 0.824 74 L CB 1.815 44.019 42.059 0.241 0.000 1.221 74 L HN 0.158 nan 8.230 nan 0.000 0.418 75 P HA 0.063 nan 4.420 nan 0.000 0.271 75 P C -0.503 176.823 177.300 0.044 0.000 1.218 75 P CA -0.340 62.777 63.100 0.028 0.000 0.780 75 P CB 0.804 32.524 31.700 0.033 0.000 0.901 76 V N 2.516 122.445 119.914 0.025 0.000 2.439 76 V HA 0.176 4.288 4.120 -0.013 0.000 0.271 76 V C 1.506 177.596 176.094 -0.007 0.000 1.040 76 V CA 0.473 62.787 62.300 0.023 0.000 1.002 76 V CB -0.041 31.808 31.823 0.044 0.000 1.000 76 V HN 0.700 nan 8.190 nan 0.000 0.477 77 A N 3.897 126.693 122.820 -0.041 0.000 2.169 77 A HA 0.601 4.913 4.320 -0.013 0.000 0.212 77 A C 1.165 178.656 177.584 -0.155 0.000 1.153 77 A CA 0.970 52.981 52.037 -0.044 0.000 0.756 77 A CB -0.109 18.914 19.000 0.038 0.000 0.813 77 A HN 1.280 nan 8.150 nan 0.000 0.471 78 G N -0.669 107.933 108.800 -0.329 0.000 2.344 78 G HA2 0.428 4.380 3.960 -0.013 0.000 0.282 78 G HA3 0.428 4.380 3.960 -0.013 0.000 0.282 78 G C -1.612 172.995 174.900 -0.488 0.000 1.281 78 G CA -0.130 44.755 45.100 -0.358 0.000 0.877 78 G HN 0.639 nan 8.290 nan 0.000 0.494 79 K N -0.819 119.314 120.400 -0.445 0.000 2.532 79 K HA 0.785 5.097 4.320 -0.013 0.000 0.265 79 K C -1.585 174.730 176.600 -0.475 0.000 0.948 79 K CA -0.649 55.309 56.287 -0.548 0.000 0.842 79 K CB 1.692 33.762 32.500 -0.717 0.000 1.392 79 K HN 1.145 nan 8.250 nan 0.000 0.436 80 S N 2.384 117.784 115.700 -0.499 0.000 2.532 80 S HA 0.752 5.214 4.470 -0.013 0.000 0.299 80 S C -1.176 173.287 174.600 -0.228 0.000 1.105 80 S CA -0.619 57.406 58.200 -0.293 0.000 1.018 80 S CB 0.348 63.446 63.200 -0.169 0.000 1.021 80 S HN 0.536 nan 8.310 nan 0.000 0.483 81 F N 1.441 121.365 119.950 -0.044 0.000 2.900 81 F HA 0.616 5.135 4.527 -0.013 0.000 0.375 81 F C 1.630 177.423 175.800 -0.012 0.000 1.258 81 F CA -1.097 56.885 58.000 -0.030 0.000 1.094 81 F CB 0.463 39.447 39.000 -0.026 0.000 1.505 81 F HN 0.717 nan 8.300 nan 0.000 0.510 82 A N 0.601 123.556 122.820 0.225 0.000 2.240 82 A HA -0.049 4.263 4.320 -0.013 0.000 0.199 82 A C 1.510 179.155 177.584 0.101 0.000 1.172 82 A CA 1.647 53.753 52.037 0.115 0.000 0.807 82 A CB -1.569 17.455 19.000 0.040 0.000 0.830 82 A HN 0.836 nan 8.150 nan 0.000 0.527 83 G N -0.306 108.536 108.800 0.071 0.000 4.178 83 G HA2 0.476 4.428 3.960 -0.013 0.000 0.287 83 G HA3 0.476 4.428 3.960 -0.013 0.000 0.287 83 G C -0.122 174.794 174.900 0.026 0.000 1.293 83 G CA 0.411 45.532 45.100 0.036 0.000 1.393 83 G HN 0.781 nan 8.290 nan 0.000 0.623 84 Q N -0.161 119.652 119.800 0.022 0.000 4.056 84 Q HA 0.196 4.528 4.340 -0.013 0.000 0.163 84 Q C -3.010 172.935 176.000 -0.092 0.000 0.865 84 Q CA -1.591 54.207 55.803 -0.007 0.000 0.779 84 Q CB 1.217 29.994 28.738 0.064 0.000 1.500 84 Q HN 0.109 nan 8.270 nan 0.000 0.462 85 P HA -0.184 nan 4.420 nan 0.000 0.270 85 P C -0.858 176.204 177.300 -0.398 0.000 1.216 85 P CA 0.146 63.047 63.100 -0.333 0.000 0.788 85 P CB 0.399 31.808 31.700 -0.485 0.000 0.883 86 Y N 1.960 122.008 120.300 -0.420 0.000 2.436 86 Y HA 0.166 4.712 4.550 -0.007 0.000 0.343 86 Y C 0.416 176.101 175.900 -0.359 0.000 1.008 86 Y CA 0.087 57.970 58.100 -0.362 0.000 1.241 86 Y CB -0.228 38.032 38.460 -0.334 0.000 1.153 86 Y HN 0.309 nan 8.280 nan 0.000 0.521 87 H N 3.668 122.334 119.070 -0.673 0.000 2.525 87 H HA 0.663 5.216 4.556 -0.005 0.000 0.340 87 H C 0.515 175.359 175.328 -0.807 0.000 1.168 87 H CA 0.007 55.723 56.048 -0.552 0.000 1.247 87 H CB 1.520 31.108 29.762 -0.290 0.000 1.568 87 H HN 0.963 nan 8.280 nan 0.000 0.536 88 G N 1.527 110.158 108.800 -0.282 0.000 2.707 88 G HA2 -0.156 3.797 3.960 -0.013 0.000 0.686 88 G HA3 -0.156 3.797 3.960 -0.013 0.000 0.686 88 G C -0.906 173.958 174.900 -0.060 0.000 1.315 88 G CA -0.880 44.102 45.100 -0.197 0.000 0.832 88 G HN 0.555 nan 8.290 nan 0.000 0.573 89 E N -0.950 119.298 120.200 0.080 0.000 2.418 89 E HA 0.395 4.738 4.350 -0.013 0.000 0.261 89 E C -0.098 176.742 176.600 0.401 0.000 1.070 89 E CA 0.106 56.628 56.400 0.203 0.000 0.931 89 E CB 0.629 30.415 29.700 0.142 0.000 0.954 89 E HN 0.668 nan 8.360 nan 0.000 0.439 90 W N 4.979 126.377 121.300 0.163 0.000 2.483 90 W HA 0.352 5.002 4.660 -0.017 0.000 0.291 90 W C -2.554 174.007 176.519 0.069 0.000 0.997 90 W CA -3.166 54.267 57.345 0.146 0.000 1.591 90 W CB 0.109 29.659 29.460 0.148 0.000 1.434 90 W HN 0.438 nan 8.180 nan 0.000 0.420 91 P HA 0.196 nan 4.420 nan 0.000 0.268 91 P C 0.045 177.309 177.300 -0.059 0.000 1.208 91 P CA 0.054 63.196 63.100 0.069 0.000 0.777 91 P CB 0.645 32.401 31.700 0.093 0.000 0.875 92 A N 1.313 124.069 122.820 -0.106 0.000 2.507 92 A HA 0.395 4.708 4.320 -0.013 0.000 0.235 92 A C 1.471 179.016 177.584 -0.064 0.000 1.070 92 A CA 0.635 52.587 52.037 -0.141 0.000 0.768 92 A CB -1.257 17.679 19.000 -0.107 0.000 1.011 92 A HN 1.014 nan 8.150 nan 0.000 0.502 93 G N 0.178 108.938 108.800 -0.066 0.000 2.143 93 G HA2 -0.079 3.873 3.960 -0.013 0.000 0.248 93 G HA3 -0.079 3.873 3.960 -0.013 0.000 0.248 93 G C 0.390 175.316 174.900 0.043 0.000 0.991 93 G CA 1.355 46.449 45.100 -0.011 0.000 0.689 93 G HN 2.376 nan 8.290 nan 0.000 0.522 94 T N -2.832 111.774 114.554 0.087 0.000 2.887 94 T HA 0.750 5.092 4.350 -0.013 0.000 0.292 94 T C 0.226 175.149 174.700 0.371 0.000 1.087 94 T CA -0.212 62.008 62.100 0.200 0.000 1.009 94 T CB 2.537 71.551 68.868 0.243 0.000 1.203 94 T HN 1.681 nan 8.240 nan 0.000 0.518 95 C N 0.605 120.093 119.300 0.314 0.000 2.889 95 C HA 0.876 5.329 4.460 -0.013 0.000 0.307 95 C C -0.889 174.117 174.990 0.027 0.000 1.251 95 C CA -1.119 58.085 59.018 0.310 0.000 1.593 95 C CB 0.530 28.445 27.740 0.291 0.000 2.104 95 C HN 0.900 nan 8.230 nan 0.000 0.476 96 I N 2.450 122.910 120.570 -0.183 0.000 2.362 96 I HA 0.420 4.582 4.170 -0.013 0.000 0.289 96 I C 0.442 176.444 176.117 -0.192 0.000 0.994 96 I CA -0.123 60.901 61.300 -0.460 0.000 1.158 96 I CB 1.184 38.621 38.000 -0.938 0.000 1.315 96 I HN 0.919 nan 8.210 nan 0.000 0.451 97 R N 5.929 126.326 120.500 -0.172 0.000 2.623 97 R HA 0.470 4.802 4.340 -0.013 0.000 0.271 97 R C -1.014 175.101 176.300 -0.309 0.000 1.043 97 R CA 0.511 56.479 56.100 -0.221 0.000 1.083 97 R CB 0.591 30.778 30.300 -0.188 0.000 0.974 97 R HN 0.734 nan 8.270 nan 0.000 0.436 98 I N 4.073 124.481 120.570 -0.270 0.000 2.842 98 I HA 0.278 4.440 4.170 -0.013 0.000 0.297 98 I C -1.295 174.795 176.117 -0.044 0.000 1.380 98 I CA -0.805 60.405 61.300 -0.150 0.000 1.018 98 I CB 1.764 39.689 38.000 -0.126 0.000 1.311 98 I HN 0.649 nan 8.210 nan 0.000 0.439 99 M N 3.399 123.049 119.600 0.084 0.000 2.724 99 M HA 0.413 4.885 4.480 -0.013 0.000 0.310 99 M C -0.162 176.173 176.300 0.059 0.000 1.217 99 M CA -0.866 54.485 55.300 0.086 0.000 0.894 99 M CB 1.724 34.413 32.600 0.147 0.000 1.719 99 M HN 0.466 nan 8.290 nan 0.000 0.479 100 T N 1.712 116.285 114.554 0.032 0.000 2.891 100 T HA 0.183 4.526 4.350 -0.013 0.000 0.296 100 T C 1.163 175.889 174.700 0.042 0.000 1.025 100 T CA 1.744 63.859 62.100 0.025 0.000 1.149 100 T CB 0.114 68.987 68.868 0.009 0.000 1.007 100 T HN 1.022 nan 8.240 nan 0.000 0.528 101 G N 1.920 110.745 108.800 0.041 0.000 2.267 101 G HA2 -0.147 3.806 3.960 -0.013 0.000 0.257 101 G HA3 -0.147 3.806 3.960 -0.013 0.000 0.257 101 G C 0.337 175.323 174.900 0.143 0.000 0.998 101 G CA 0.058 45.193 45.100 0.057 0.000 0.620 101 G HN 1.236 nan 8.290 nan 0.000 0.529 102 A N 1.734 124.639 122.820 0.143 0.000 2.407 102 A HA 0.651 4.964 4.320 -0.013 0.000 0.248 102 A C -1.572 176.134 177.584 0.202 0.000 1.082 102 A CA -0.582 51.558 52.037 0.172 0.000 0.785 102 A CB 0.405 19.483 19.000 0.130 0.000 1.020 102 A HN 0.260 nan 8.150 nan 0.000 0.489 103 P HA 0.230 nan 4.420 nan 0.000 0.276 103 P C 0.098 177.445 177.300 0.080 0.000 1.235 103 P CA -0.024 63.207 63.100 0.218 0.000 0.772 103 P CB 0.730 32.392 31.700 -0.064 0.000 0.871 104 V N 2.380 122.356 119.914 0.103 0.000 2.740 104 V HA 0.289 4.401 4.120 -0.013 0.000 0.303 104 V C -2.052 174.058 176.094 0.028 0.000 1.054 104 V CA -1.572 60.754 62.300 0.043 0.000 1.106 104 V CB -0.474 31.395 31.823 0.076 0.000 0.957 104 V HN 0.448 nan 8.190 nan 0.000 0.486 105 P HA 0.286 nan 4.420 nan 0.000 0.274 105 P C -0.700 176.709 177.300 0.182 0.000 1.231 105 P CA -0.381 62.721 63.100 0.004 0.000 0.790 105 P CB 0.399 31.952 31.700 -0.245 0.000 0.951 106 E N 0.781 121.110 120.200 0.215 0.000 2.694 106 E HA 0.290 4.632 4.350 -0.013 0.000 0.250 106 E C 1.463 178.264 176.600 0.335 0.000 0.963 106 E CA 1.113 57.651 56.400 0.230 0.000 0.949 106 E CB -1.146 28.665 29.700 0.185 0.000 0.911 106 E HN 0.809 nan 8.360 nan 0.000 0.500 107 G N 1.949 110.887 108.800 0.231 0.000 2.213 107 G HA2 -0.332 3.620 3.960 -0.013 0.000 0.236 107 G HA3 -0.332 3.620 3.960 -0.013 0.000 0.236 107 G C 0.494 175.510 174.900 0.193 0.000 0.991 107 G CA -0.296 44.899 45.100 0.159 0.000 0.629 107 G HN 0.861 nan 8.290 nan 0.000 0.517 108 C N 1.571 121.089 119.300 0.363 0.000 2.642 108 C HA 0.564 5.017 4.460 -0.013 0.000 0.420 108 C C 1.666 176.755 174.990 0.166 0.000 1.349 108 C CA 0.947 60.181 59.018 0.360 0.000 1.821 108 C CB 0.084 28.005 27.740 0.303 0.000 2.637 108 C HN 0.564 nan 8.230 nan 0.000 0.605 109 E N 3.171 123.444 120.200 0.122 0.000 2.490 109 E HA 0.372 4.714 4.350 -0.013 0.000 0.209 109 E C 0.256 176.886 176.600 0.050 0.000 0.971 109 E CA 0.298 56.733 56.400 0.057 0.000 0.988 109 E CB 0.592 30.299 29.700 0.013 0.000 1.029 109 E HN 0.797 nan 8.360 nan 0.000 0.496 110 A N 0.632 123.494 122.820 0.069 0.000 2.608 110 A HA 0.549 4.861 4.320 -0.013 0.000 0.292 110 A C -1.464 176.162 177.584 0.070 0.000 1.066 110 A CA -0.570 51.498 52.037 0.052 0.000 0.676 110 A CB 1.575 20.588 19.000 0.022 0.000 1.277 110 A HN -0.028 nan 8.150 nan 0.000 0.413 111 V N 0.702 120.655 119.914 0.065 0.000 2.555 111 V HA 0.616 4.728 4.120 -0.013 0.000 0.302 111 V C -0.556 175.599 176.094 0.103 0.000 1.038 111 V CA -0.541 61.809 62.300 0.082 0.000 0.887 111 V CB 1.754 33.612 31.823 0.058 0.000 0.991 111 V HN 0.767 nan 8.190 nan 0.000 0.434 112 V N 5.706 125.724 119.914 0.173 0.000 2.448 112 V HA 0.431 4.543 4.120 -0.013 0.000 0.295 112 V C 0.243 176.468 176.094 0.219 0.000 1.025 112 V CA -0.628 61.806 62.300 0.224 0.000 0.859 112 V CB 1.725 33.786 31.823 0.397 0.000 0.988 112 V HN 0.962 nan 8.190 nan 0.000 0.431 113 M N 4.201 123.888 119.600 0.146 0.000 2.228 113 M HA 0.285 4.757 4.480 -0.013 0.000 0.351 113 M C 1.261 177.641 176.300 0.134 0.000 1.233 113 M CA 0.009 55.370 55.300 0.101 0.000 1.129 113 M CB 0.608 33.246 32.600 0.063 0.000 1.604 113 M HN 0.831 nan 8.290 nan 0.000 0.457 114 Q N 2.135 121.996 119.800 0.102 0.000 2.308 114 Q HA -0.213 4.120 4.340 -0.013 0.000 0.209 114 Q C 0.532 176.590 176.000 0.096 0.000 0.985 114 Q CA 2.396 58.289 55.803 0.150 0.000 0.881 114 Q CB -0.552 28.229 28.738 0.070 0.000 0.917 114 Q HN 0.926 nan 8.270 nan 0.000 0.443 115 E N 0.975 121.213 120.200 0.063 0.000 2.418 115 E HA -0.097 4.246 4.350 -0.013 0.000 0.197 115 E C 1.230 177.854 176.600 0.040 0.000 1.026 115 E CA 0.744 57.169 56.400 0.041 0.000 0.862 115 E CB 0.086 29.805 29.700 0.031 0.000 0.799 115 E HN 0.467 nan 8.360 nan 0.000 0.518 116 Q N 0.304 120.139 119.800 0.059 0.000 2.246 116 Q HA 0.070 4.402 4.340 -0.013 0.000 0.202 116 Q C -0.239 175.778 176.000 0.027 0.000 0.883 116 Q CA 0.256 56.093 55.803 0.057 0.000 0.952 116 Q CB 0.533 29.327 28.738 0.093 0.000 1.078 116 Q HN 0.243 nan 8.270 nan 0.000 0.493 117 T N -3.683 110.863 114.554 -0.012 0.000 2.883 117 T HA 0.532 4.874 4.350 -0.013 0.000 0.296 117 T C -0.986 173.637 174.700 -0.127 0.000 1.117 117 T CA -0.941 61.075 62.100 -0.140 0.000 1.006 117 T CB 2.215 70.909 68.868 -0.290 0.000 1.191 117 T HN -0.165 nan 8.240 nan 0.000 0.508 118 E N 0.859 120.937 120.200 -0.204 0.000 2.182 118 E HA 0.452 4.795 4.350 -0.013 0.000 0.258 118 E C -1.176 175.315 176.600 -0.181 0.000 0.879 118 E CA -0.400 55.915 56.400 -0.142 0.000 0.754 118 E CB 1.465 31.097 29.700 -0.113 0.000 1.162 118 E HN 0.567 nan 8.360 nan 0.000 0.419 119 Q N 3.541 123.272 119.800 -0.114 0.000 2.279 119 Q HA 0.501 4.833 4.340 -0.013 0.000 0.256 119 Q C -0.306 175.651 176.000 -0.072 0.000 0.937 119 Q CA 0.306 56.048 55.803 -0.101 0.000 0.933 119 Q CB 1.217 29.944 28.738 -0.019 0.000 1.189 119 Q HN 0.515 nan 8.270 nan 0.000 0.417 120 M N 0.500 120.053 119.600 -0.077 0.000 2.755 120 M HA 0.414 4.887 4.480 -0.013 0.000 0.298 120 M C 0.007 176.286 176.300 -0.035 0.000 1.251 120 M CA -0.923 54.348 55.300 -0.049 0.000 0.817 120 M CB 1.389 33.957 32.600 -0.053 0.000 1.760 120 M HN 0.440 nan 8.290 nan 0.000 0.473 121 D N 0.637 121.024 120.400 -0.021 0.000 2.178 121 D HA -0.090 4.543 4.640 -0.013 0.000 0.202 121 D C 0.503 176.796 176.300 -0.012 0.000 0.974 121 D CA 1.563 55.556 54.000 -0.011 0.000 0.841 121 D CB -0.163 40.634 40.800 -0.005 0.000 0.953 121 D HN 0.524 nan 8.370 nan 0.000 0.478 122 N N -0.111 118.578 118.700 -0.017 0.000 2.279 122 N HA 0.356 5.088 4.740 -0.013 0.000 0.226 122 N C 0.188 175.686 175.510 -0.020 0.000 1.126 122 N CA 0.064 53.106 53.050 -0.013 0.000 0.846 122 N CB 1.473 39.955 38.487 -0.008 0.000 1.050 122 N HN 0.161 nan 8.380 nan 0.000 0.502 123 G N -1.419 107.357 108.800 -0.039 0.000 2.326 123 G HA2 -0.008 3.944 3.960 -0.013 0.000 0.413 123 G HA3 -0.008 3.944 3.960 -0.013 0.000 0.413 123 G C -1.516 173.299 174.900 -0.142 0.000 1.444 123 G CA -1.041 44.022 45.100 -0.062 0.000 1.002 123 G HN -0.063 nan 8.290 nan 0.000 0.649 124 V N 0.756 120.526 119.914 -0.241 0.000 2.432 124 V HA 0.569 4.682 4.120 -0.013 0.000 0.271 124 V C 0.969 176.749 176.094 -0.524 0.000 1.046 124 V CA -0.297 61.695 62.300 -0.513 0.000 0.945 124 V CB 1.122 32.366 31.823 -0.966 0.000 0.992 124 V HN 0.891 nan 8.190 nan 0.000 0.471 125 R N 4.524 124.757 120.500 -0.445 0.000 2.254 125 R HA 0.487 4.820 4.340 -0.013 0.000 0.318 125 R C -1.364 174.680 176.300 -0.427 0.000 1.031 125 R CA -0.302 55.631 56.100 -0.279 0.000 0.905 125 R CB 0.523 30.737 30.300 -0.143 0.000 1.050 125 R HN 0.507 nan 8.270 nan 0.000 0.456 126 F N 2.459 122.377 119.950 -0.053 0.000 2.443 126 F HA 0.305 4.824 4.527 -0.013 0.000 0.335 126 F C 1.236 177.027 175.800 -0.016 0.000 1.104 126 F CA -0.354 57.627 58.000 -0.031 0.000 1.013 126 F CB 2.429 41.413 39.000 -0.026 0.000 1.136 126 F HN 0.729 nan 8.300 nan 0.000 0.470 127 T N -1.241 113.403 114.554 0.149 0.000 2.980 127 T HA 0.476 4.819 4.350 -0.013 0.000 0.252 127 T C 0.672 175.422 174.700 0.083 0.000 0.962 127 T CA 0.202 62.356 62.100 0.091 0.000 0.932 127 T CB -0.118 68.776 68.868 0.043 0.000 1.188 127 T HN 0.542 nan 8.240 nan 0.000 0.500 128 A N 2.282 125.160 122.820 0.096 0.000 2.332 128 A HA 0.556 4.868 4.320 -0.013 0.000 0.258 128 A C 0.421 178.044 177.584 0.065 0.000 1.087 128 A CA -0.530 51.551 52.037 0.073 0.000 0.802 128 A CB 0.070 19.115 19.000 0.075 0.000 1.042 128 A HN 0.687 nan 8.150 nan 0.000 0.489 129 E N -0.021 120.205 120.200 0.043 0.000 2.436 129 E HA 0.307 4.649 4.350 -0.013 0.000 0.262 129 E C -1.120 175.498 176.600 0.030 0.000 1.063 129 E CA -0.180 56.237 56.400 0.029 0.000 0.944 129 E CB 0.507 30.218 29.700 0.020 0.000 0.950 129 E HN 0.231 nan 8.360 nan 0.000 0.444 130 V N 3.805 123.726 119.914 0.012 0.000 2.398 130 V HA 0.293 4.406 4.120 -0.013 0.000 0.282 130 V C -0.247 175.847 176.094 -0.001 0.000 1.014 130 V CA -0.697 61.606 62.300 0.005 0.000 0.838 130 V CB 1.059 32.866 31.823 -0.027 0.000 1.018 130 V HN 0.670 nan 8.190 nan 0.000 0.432 131 R N 2.002 122.507 120.500 0.008 0.000 2.539 131 R HA 0.410 4.743 4.340 -0.013 0.000 0.275 131 R C 0.593 176.895 176.300 0.004 0.000 1.077 131 R CA 0.098 56.201 56.100 0.005 0.000 1.097 131 R CB 0.861 31.167 30.300 0.010 0.000 1.018 131 R HN 0.694 nan 8.270 nan 0.000 0.483 132 S N 0.770 116.471 115.700 0.002 0.000 2.548 132 S HA 0.370 4.832 4.470 -0.013 0.000 0.277 132 S C 1.180 175.786 174.600 0.010 0.000 1.315 132 S CA 0.646 58.848 58.200 0.004 0.000 1.050 132 S CB 0.686 63.886 63.200 -0.000 0.000 0.918 132 S HN 0.808 nan 8.310 nan 0.000 0.497 133 G N 3.148 111.958 108.800 0.017 0.000 2.234 133 G HA2 -0.287 3.665 3.960 -0.013 0.000 0.260 133 G HA3 -0.287 3.665 3.960 -0.013 0.000 0.260 133 G C 0.067 174.979 174.900 0.021 0.000 0.987 133 G CA 0.542 45.654 45.100 0.020 0.000 0.625 133 G HN 1.126 nan 8.290 nan 0.000 0.532 134 Q N 0.136 119.949 119.800 0.022 0.000 2.395 134 Q HA 0.452 4.785 4.340 -0.013 0.000 0.271 134 Q C 0.896 176.914 176.000 0.030 0.000 1.026 134 Q CA 0.352 56.169 55.803 0.024 0.000 0.900 134 Q CB 0.313 29.066 28.738 0.026 0.000 1.266 134 Q HN 0.273 nan 8.270 nan 0.000 0.430 135 N N 0.213 118.929 118.700 0.026 0.000 2.713 135 N HA -0.190 4.543 4.740 -0.013 0.000 0.251 135 N C -1.082 174.443 175.510 0.024 0.000 1.117 135 N CA 1.242 54.308 53.050 0.027 0.000 0.770 135 N CB -1.034 37.476 38.487 0.038 0.000 1.137 135 N HN 0.642 nan 8.380 nan 0.000 0.566 136 I N 1.202 121.785 120.570 0.022 0.000 2.362 136 I HA 0.198 4.361 4.170 -0.013 0.000 0.289 136 I C 0.436 176.557 176.117 0.007 0.000 0.994 136 I CA -0.565 60.748 61.300 0.022 0.000 1.158 136 I CB 1.380 39.400 38.000 0.033 0.000 1.315 136 I HN -0.240 nan 8.210 nan 0.000 0.451 137 R N 5.324 125.821 120.500 -0.006 0.000 2.216 137 R HA 0.351 4.684 4.340 -0.013 0.000 0.332 137 R C -0.426 175.852 176.300 -0.037 0.000 1.056 137 R CA -0.837 55.246 56.100 -0.029 0.000 0.901 137 R CB 0.675 30.944 30.300 -0.052 0.000 1.039 137 R HN 0.351 nan 8.270 nan 0.000 0.456 138 R N 1.815 122.298 120.500 -0.029 0.000 2.543 138 R HA 0.078 4.410 4.340 -0.013 0.000 0.277 138 R C 0.229 176.502 176.300 -0.045 0.000 1.074 138 R CA -0.405 55.682 56.100 -0.022 0.000 1.076 138 R CB 0.278 30.572 30.300 -0.011 0.000 0.993 138 R HN 0.420 nan 8.270 nan 0.000 0.459 139 R N 1.319 121.800 120.500 -0.031 0.000 2.494 139 R HA -0.036 4.296 4.340 -0.013 0.000 0.291 139 R C 0.443 176.719 176.300 -0.039 0.000 0.953 139 R CA 1.589 57.665 56.100 -0.039 0.000 1.098 139 R CB -0.151 30.155 30.300 0.010 0.000 0.911 139 R HN 0.885 nan 8.270 nan 0.000 0.407 140 G N 3.298 112.063 108.800 -0.057 0.000 2.175 140 G HA2 -0.392 3.560 3.960 -0.013 0.000 0.265 140 G HA3 -0.392 3.560 3.960 -0.013 0.000 0.265 140 G C 0.689 175.561 174.900 -0.047 0.000 0.979 140 G CA 0.796 45.867 45.100 -0.048 0.000 0.663 140 G HN 0.897 nan 8.290 nan 0.000 0.533 141 E N -0.070 120.100 120.200 -0.049 0.000 2.160 141 E HA -0.172 4.170 4.350 -0.013 0.000 0.195 141 E C 1.477 178.049 176.600 -0.047 0.000 0.991 141 E CA 1.465 57.839 56.400 -0.042 0.000 0.810 141 E CB -0.195 29.482 29.700 -0.039 0.000 0.742 141 E HN 0.461 nan 8.360 nan 0.000 0.466 142 D N 0.608 120.973 120.400 -0.058 0.000 2.149 142 D HA 0.143 4.775 4.640 -0.013 0.000 0.206 142 D C 0.699 176.957 176.300 -0.069 0.000 0.967 142 D CA 0.886 54.849 54.000 -0.061 0.000 0.848 142 D CB 0.482 41.243 40.800 -0.066 0.000 0.998 142 D HN 0.229 nan 8.370 nan 0.000 0.474 143 I N 0.505 121.033 120.570 -0.069 0.000 2.548 143 I HA 0.101 4.264 4.170 -0.013 0.000 0.287 143 I C -0.800 175.283 176.117 -0.057 0.000 1.103 143 I CA -0.555 60.700 61.300 -0.074 0.000 1.049 143 I CB 2.318 40.265 38.000 -0.087 0.000 1.232 143 I HN -0.228 nan 8.210 nan 0.000 0.429 144 S N 4.128 119.799 115.700 -0.050 0.000 2.541 144 S HA 0.780 5.242 4.470 -0.013 0.000 0.283 144 S C 0.152 174.733 174.600 -0.032 0.000 1.196 144 S CA -0.878 57.301 58.200 -0.035 0.000 1.062 144 S CB 1.826 65.009 63.200 -0.028 0.000 1.009 144 S HN 0.723 nan 8.310 nan 0.000 0.502 145 A N 1.636 124.444 122.820 -0.021 0.000 2.540 145 A HA 0.524 4.837 4.320 -0.013 0.000 0.239 145 A C 1.536 179.111 177.584 -0.015 0.000 1.061 145 A CA 0.216 52.244 52.037 -0.015 0.000 0.758 145 A CB -1.204 17.793 19.000 -0.005 0.000 0.991 145 A HN 2.304 nan 8.150 nan 0.000 0.502 146 G N 0.550 109.342 108.800 -0.015 0.000 2.195 146 G HA2 0.147 4.099 3.960 -0.013 0.000 0.246 146 G HA3 0.147 4.099 3.960 -0.013 0.000 0.246 146 G C 0.607 175.495 174.900 -0.020 0.000 0.984 146 G CA 0.499 45.591 45.100 -0.013 0.000 0.633 146 G HN 2.172 nan 8.290 nan 0.000 0.525 147 A N -0.182 122.620 122.820 -0.031 0.000 2.304 147 A HA 0.721 5.033 4.320 -0.013 0.000 0.271 147 A C 0.555 178.109 177.584 -0.050 0.000 1.091 147 A CA 0.205 52.218 52.037 -0.041 0.000 0.812 147 A CB 1.180 20.148 19.000 -0.053 0.000 1.056 147 A HN 1.096 nan 8.150 nan 0.000 0.489 148 V N 2.820 122.703 119.914 -0.051 0.000 2.427 148 V HA 0.085 4.198 4.120 -0.013 0.000 0.268 148 V C 1.133 177.158 176.094 -0.116 0.000 1.046 148 V CA 0.125 62.392 62.300 -0.054 0.000 0.970 148 V CB 0.981 32.788 31.823 -0.027 0.000 1.001 148 V HN 0.718 nan 8.190 nan 0.000 0.476 149 V N 5.830 125.641 119.914 -0.172 0.000 2.446 149 V HA 0.124 4.236 4.120 -0.013 0.000 0.244 149 V C 0.369 176.072 176.094 -0.652 0.000 1.039 149 V CA 1.324 63.370 62.300 -0.424 0.000 1.045 149 V CB -0.277 31.272 31.823 -0.457 0.000 0.681 149 V HN 0.675 nan 8.190 nan 0.000 0.459 150 F N 1.028 120.969 119.950 -0.015 0.000 2.585 150 F HA 0.482 5.002 4.527 -0.012 0.000 0.319 150 F C -2.692 173.098 175.800 -0.017 0.000 1.165 150 F CA -2.258 55.730 58.000 -0.019 0.000 0.949 150 F CB 2.370 41.356 39.000 -0.024 0.000 1.218 150 F HN -0.092 nan 8.300 nan 0.000 0.453 151 P HA 0.207 nan 4.420 nan 0.000 0.278 151 P C -0.578 176.764 177.300 0.070 0.000 1.238 151 P CA -0.279 62.874 63.100 0.089 0.000 0.794 151 P CB 1.101 32.837 31.700 0.060 0.000 0.955 152 A N 2.127 124.974 122.820 0.044 0.000 2.584 152 A HA 0.335 4.647 4.320 -0.013 0.000 0.239 152 A C 1.515 179.107 177.584 0.012 0.000 1.043 152 A CA 1.134 53.185 52.037 0.024 0.000 0.756 152 A CB -1.616 17.395 19.000 0.019 0.000 0.963 152 A HN 0.935 nan 8.150 nan 0.000 0.511 153 G N 1.746 110.544 108.800 -0.003 0.000 2.195 153 G HA2 -0.181 3.771 3.960 -0.013 0.000 0.224 153 G HA3 -0.181 3.771 3.960 -0.013 0.000 0.224 153 G C 0.469 175.351 174.900 -0.030 0.000 0.990 153 G CA 0.306 45.398 45.100 -0.013 0.000 0.639 153 G HN 1.212 nan 8.290 nan 0.000 0.514 154 T N 1.507 116.041 114.554 -0.033 0.000 2.888 154 T HA 0.395 4.738 4.350 -0.013 0.000 0.301 154 T C 0.640 175.265 174.700 -0.124 0.000 1.001 154 T CA 0.114 62.170 62.100 -0.072 0.000 1.147 154 T CB 1.017 69.838 68.868 -0.077 0.000 0.931 154 T HN 0.484 nan 8.240 nan 0.000 0.541 155 R N 3.574 123.988 120.500 -0.144 0.000 2.298 155 R HA 0.319 4.651 4.340 -0.013 0.000 0.310 155 R C -0.537 175.592 176.300 -0.284 0.000 1.068 155 R CA -0.496 55.495 56.100 -0.182 0.000 0.957 155 R CB 0.194 30.401 30.300 -0.154 0.000 1.003 155 R HN 0.573 nan 8.270 nan 0.000 0.454 156 L N 3.941 124.971 121.223 -0.320 0.000 2.290 156 L HA 0.319 4.651 4.340 -0.013 0.000 0.284 156 L C 0.437 176.934 176.870 -0.622 0.000 1.078 156 L CA -0.016 54.582 54.840 -0.404 0.000 0.815 156 L CB 1.632 43.513 42.059 -0.296 0.000 1.162 156 L HN 0.730 nan 8.230 nan 0.000 0.435 157 T N -0.108 114.091 114.554 -0.591 0.000 2.742 157 T HA 0.181 4.524 4.350 -0.013 0.000 0.282 157 T C 1.027 175.542 174.700 -0.308 0.000 1.025 157 T CA -0.400 61.255 62.100 -0.742 0.000 1.020 157 T CB 1.837 70.436 68.868 -0.447 0.000 1.317 157 T HN 0.602 nan 8.240 nan 0.000 0.538 158 T N 1.457 116.004 114.554 -0.013 0.000 2.977 158 T HA -0.003 4.339 4.350 -0.013 0.000 0.271 158 T C 1.884 176.596 174.700 0.019 0.000 1.105 158 T CA 1.138 63.296 62.100 0.098 0.000 1.116 158 T CB -0.292 68.685 68.868 0.183 0.000 0.878 158 T HN 0.580 nan 8.240 nan 0.000 0.509 159 A N 1.132 123.932 122.820 -0.032 0.000 1.970 159 A HA 0.046 4.358 4.320 -0.013 0.000 0.216 159 A C 2.141 179.715 177.584 -0.016 0.000 1.170 159 A CA 1.025 53.055 52.037 -0.011 0.000 0.645 159 A CB -0.114 18.875 19.000 -0.017 0.000 0.816 159 A HN 0.397 nan 8.150 nan 0.000 0.447 160 E N -0.437 119.665 120.200 -0.163 0.000 2.175 160 E HA 0.196 4.538 4.350 -0.013 0.000 0.195 160 E C 1.819 178.338 176.600 -0.135 0.000 0.934 160 E CA 0.207 56.409 56.400 -0.330 0.000 0.870 160 E CB -0.264 28.874 29.700 -0.936 0.000 0.838 160 E HN 0.454 nan 8.360 nan 0.000 0.474 161 L N 1.136 122.278 121.223 -0.135 0.000 2.042 161 L HA -0.138 4.194 4.340 -0.013 0.000 0.210 161 L C -0.756 176.132 176.870 0.028 0.000 1.076 161 L CA 1.478 56.290 54.840 -0.047 0.000 0.749 161 L CB -1.066 40.969 42.059 -0.040 0.000 0.893 161 L HN 0.166 nan 8.230 nan 0.000 0.432 162 P HA -0.132 nan 4.420 nan 0.000 0.216 162 P C 1.899 179.246 177.300 0.078 0.000 1.153 162 P CA 1.062 64.196 63.100 0.057 0.000 0.848 162 P CB 0.056 31.788 31.700 0.053 0.000 0.787 163 V N -0.472 119.513 119.914 0.117 0.000 2.392 163 V HA -0.250 3.862 4.120 -0.013 0.000 0.249 163 V C 2.275 178.457 176.094 0.146 0.000 1.059 163 V CA 1.694 64.083 62.300 0.149 0.000 1.051 163 V CB -1.091 30.886 31.823 0.258 0.000 0.658 163 V HN 0.074 nan 8.190 nan 0.000 0.455 164 I N 0.313 120.988 120.570 0.176 0.000 2.315 164 I HA -0.183 3.980 4.170 -0.013 0.000 0.248 164 I C 2.573 178.737 176.117 0.078 0.000 1.117 164 I CA 1.384 62.767 61.300 0.138 0.000 1.404 164 I CB -0.488 37.590 38.000 0.129 0.000 1.071 164 I HN 0.257 nan 8.210 nan 0.000 0.419 165 A N 0.228 123.087 122.820 0.065 0.000 1.969 165 A HA -0.206 4.106 4.320 -0.013 0.000 0.218 165 A C 2.458 180.069 177.584 0.044 0.000 1.169 165 A CA 1.857 53.923 52.037 0.048 0.000 0.635 165 A CB -0.778 18.248 19.000 0.043 0.000 0.810 165 A HN 0.503 nan 8.150 nan 0.000 0.445 166 S N -0.235 115.493 115.700 0.047 0.000 2.447 166 S HA 0.002 4.464 4.470 -0.013 0.000 0.233 166 S C 1.503 176.122 174.600 0.031 0.000 1.006 166 S CA 1.160 59.383 58.200 0.038 0.000 0.957 166 S CB -0.519 62.702 63.200 0.035 0.000 0.773 166 S HN 0.468 nan 8.310 nan 0.000 0.507 167 L N 0.683 121.926 121.223 0.034 0.000 2.591 167 L HA 0.342 4.674 4.340 -0.013 0.000 0.228 167 L C 1.886 178.772 176.870 0.028 0.000 1.133 167 L CA 0.327 55.182 54.840 0.026 0.000 0.880 167 L CB -0.672 41.402 42.059 0.025 0.000 1.033 167 L HN 0.584 nan 8.230 nan 0.000 0.450 168 G N 1.004 109.823 108.800 0.031 0.000 2.159 168 G HA2 -0.293 3.659 3.960 -0.013 0.000 0.256 168 G HA3 -0.293 3.659 3.960 -0.013 0.000 0.256 168 G C 0.139 175.056 174.900 0.028 0.000 0.977 168 G CA -0.194 44.923 45.100 0.029 0.000 0.652 168 G HN 0.260 nan 8.290 nan 0.000 0.531 169 I N 1.005 121.594 120.570 0.033 0.000 2.496 169 I HA 0.500 4.662 4.170 -0.013 0.000 0.285 169 I C 1.517 177.652 176.117 0.031 0.000 1.080 169 I CA 0.582 61.902 61.300 0.032 0.000 1.404 169 I CB 1.533 39.557 38.000 0.040 0.000 1.403 169 I HN 0.181 nan 8.210 nan 0.000 0.539 170 A N 5.693 128.529 122.820 0.026 0.000 2.014 170 A HA 0.149 4.461 4.320 -0.013 0.000 0.210 170 A C 0.492 178.089 177.584 0.023 0.000 1.188 170 A CA 0.453 52.504 52.037 0.024 0.000 0.731 170 A CB -0.023 18.989 19.000 0.021 0.000 0.858 170 A HN 0.750 nan 8.150 nan 0.000 0.464 171 E N -0.623 119.590 120.200 0.022 0.000 2.383 171 E HA 0.576 4.918 4.350 -0.013 0.000 0.275 171 E C -1.064 175.548 176.600 0.020 0.000 0.918 171 E CA -0.937 55.474 56.400 0.019 0.000 0.764 171 E CB 1.996 31.706 29.700 0.017 0.000 1.252 171 E HN 0.305 nan 8.360 nan 0.000 0.449 172 V N -2.410 117.514 119.914 0.016 0.000 3.040 172 V HA 0.733 4.846 4.120 -0.013 0.000 0.312 172 V C -2.827 173.273 176.094 0.010 0.000 1.115 172 V CA -2.666 59.644 62.300 0.015 0.000 0.998 172 V CB 1.662 33.493 31.823 0.014 0.000 1.042 172 V HN 0.684 nan 8.190 nan 0.000 0.433 173 P HA 0.580 nan 4.420 nan 0.000 0.294 173 P C -0.818 176.483 177.300 0.003 0.000 1.294 173 P CA -0.384 62.721 63.100 0.008 0.000 0.827 173 P CB 1.672 33.379 31.700 0.011 0.000 0.992 174 V N 1.018 120.932 119.914 0.001 0.000 2.962 174 V HA 0.548 4.660 4.120 -0.013 0.000 0.313 174 V C 0.022 176.115 176.094 -0.001 0.000 1.099 174 V CA -1.347 60.950 62.300 -0.006 0.000 0.971 174 V CB 1.559 33.375 31.823 -0.011 0.000 1.028 174 V HN 0.268 nan 8.190 nan 0.000 0.430 175 I N 3.430 123.999 120.570 -0.002 0.000 2.692 175 I HA 0.315 4.477 4.170 -0.013 0.000 0.284 175 I C 1.200 177.320 176.117 0.006 0.000 1.159 175 I CA 0.011 61.314 61.300 0.004 0.000 1.423 175 I CB 0.577 38.579 38.000 0.004 0.000 1.380 175 I HN 0.888 nan 8.210 nan 0.000 0.580 176 R N 5.793 126.300 120.500 0.011 0.000 2.643 176 R HA 0.219 4.551 4.340 -0.013 0.000 0.270 176 R C -0.425 175.884 176.300 0.014 0.000 1.061 176 R CA -0.671 55.437 56.100 0.013 0.000 1.107 176 R CB 0.323 30.633 30.300 0.016 0.000 0.999 176 R HN 0.408 nan 8.270 nan 0.000 0.460 177 K N 1.319 121.728 120.400 0.014 0.000 2.591 177 K HA -0.052 4.260 4.320 -0.013 0.000 0.280 177 K C -0.236 176.376 176.600 0.020 0.000 0.964 177 K CA 0.129 56.425 56.287 0.015 0.000 1.014 177 K CB 0.399 32.908 32.500 0.015 0.000 0.877 177 K HN 0.336 nan 8.250 nan 0.000 0.502 178 V N 3.936 123.863 119.914 0.021 0.000 2.530 178 V HA 0.121 4.234 4.120 -0.013 0.000 0.282 178 V C 0.496 176.607 176.094 0.028 0.000 1.048 178 V CA -0.289 62.030 62.300 0.032 0.000 0.997 178 V CB 0.863 32.706 31.823 0.034 0.000 0.987 178 V HN 0.623 nan 8.190 nan 0.000 0.477 179 R N 3.353 123.874 120.500 0.035 0.000 2.229 179 R HA 0.618 4.951 4.340 -0.013 0.000 0.328 179 R C -1.215 175.105 176.300 0.034 0.000 1.009 179 R CA -0.415 55.701 56.100 0.027 0.000 0.864 179 R CB 1.524 31.842 30.300 0.029 0.000 1.085 179 R HN 0.555 nan 8.270 nan 0.000 0.453 180 V N 2.570 122.493 119.914 0.014 0.000 2.407 180 V HA 0.456 4.569 4.120 -0.013 0.000 0.291 180 V C 0.016 176.106 176.094 -0.006 0.000 1.018 180 V CA -1.033 61.276 62.300 0.016 0.000 0.842 180 V CB 1.608 33.438 31.823 0.012 0.000 0.996 180 V HN 0.883 nan 8.190 nan 0.000 0.426 181 A N 5.960 128.793 122.820 0.022 0.000 2.328 181 A HA 0.769 5.081 4.320 -0.013 0.000 0.284 181 A C -0.610 176.964 177.584 -0.017 0.000 1.160 181 A CA -0.304 51.753 52.037 0.034 0.000 0.818 181 A CB 0.600 19.657 19.000 0.095 0.000 1.087 181 A HN 0.814 nan 8.150 nan 0.000 0.504 182 L N 3.654 124.870 121.223 -0.011 0.000 2.365 182 L HA 0.867 5.199 4.340 -0.013 0.000 0.273 182 L C -1.348 175.544 176.870 0.037 0.000 1.000 182 L CA -0.618 54.175 54.840 -0.078 0.000 0.819 182 L CB 1.560 43.583 42.059 -0.061 0.000 1.284 182 L HN 0.900 nan 8.230 nan 0.000 0.418 183 F N 1.207 121.142 119.950 -0.025 0.000 2.741 183 F HA 0.708 5.228 4.527 -0.013 0.000 0.311 183 F C -1.031 174.762 175.800 -0.012 0.000 1.149 183 F CA -0.897 57.086 58.000 -0.028 0.000 0.930 183 F CB 1.208 40.166 39.000 -0.069 0.000 1.312 183 F HN 0.367 nan 8.300 nan 0.000 0.450 184 S N 0.013 115.909 115.700 0.327 0.000 2.667 184 S HA 0.907 5.369 4.470 -0.013 0.000 0.292 184 S C -1.049 173.700 174.600 0.248 0.000 1.126 184 S CA -0.449 57.890 58.200 0.231 0.000 0.881 184 S CB 1.960 65.232 63.200 0.119 0.000 1.132 184 S HN 1.246 nan 8.310 nan 0.000 0.492 185 T N -0.973 113.695 114.554 0.190 0.000 2.853 185 T HA 0.748 5.090 4.350 -0.013 0.000 0.311 185 T C -0.639 174.138 174.700 0.128 0.000 1.307 185 T CA 0.429 62.622 62.100 0.154 0.000 1.019 185 T CB 1.051 70.027 68.868 0.180 0.000 1.264 185 T HN 2.330 nan 8.240 nan 0.000 0.497 186 G N 2.733 111.605 108.800 0.119 0.000 2.521 186 G HA2 0.195 4.147 3.960 -0.013 0.000 0.589 186 G HA3 0.195 4.147 3.960 -0.013 0.000 0.589 186 G C 0.020 174.963 174.900 0.071 0.000 1.501 186 G CA 0.347 45.510 45.100 0.104 0.000 0.887 186 G HN 0.816 nan 8.290 nan 0.000 0.654 187 D N 0.828 121.264 120.400 0.061 0.000 2.263 187 D HA -0.076 4.556 4.640 -0.013 0.000 0.208 187 D C 1.684 177.994 176.300 0.016 0.000 0.971 187 D CA 1.839 55.859 54.000 0.033 0.000 0.867 187 D CB -0.086 40.730 40.800 0.026 0.000 0.929 187 D HN 0.650 nan 8.370 nan 0.000 0.492 188 E N 0.883 121.094 120.200 0.018 0.000 2.150 188 E HA -0.006 4.336 4.350 -0.013 0.000 0.193 188 E C 0.799 177.388 176.600 -0.019 0.000 0.985 188 E CA 0.247 56.645 56.400 -0.004 0.000 0.814 188 E CB -0.515 29.187 29.700 0.003 0.000 0.752 188 E HN 0.322 nan 8.360 nan 0.000 0.466 189 L N 1.517 122.744 121.223 0.007 0.000 2.490 189 L HA 0.118 4.450 4.340 -0.013 0.000 0.274 189 L C 0.113 176.982 176.870 -0.003 0.000 1.201 189 L CA -0.076 54.770 54.840 0.010 0.000 0.869 189 L CB 0.224 42.308 42.059 0.042 0.000 1.123 189 L HN 0.116 nan 8.230 nan 0.000 0.484 190 Q N 2.718 122.511 119.800 -0.011 0.000 2.347 190 Q HA 0.551 4.883 4.340 -0.013 0.000 0.271 190 Q C -1.060 175.036 176.000 0.161 0.000 1.064 190 Q CA -0.497 55.308 55.803 0.003 0.000 0.800 190 Q CB 2.157 30.784 28.738 -0.184 0.000 1.304 190 Q HN 0.428 nan 8.270 nan 0.000 0.438 191 L N 4.625 125.940 121.223 0.153 0.000 2.439 191 L HA 0.564 4.897 4.340 -0.013 0.000 0.261 191 L C -1.824 175.187 176.870 0.235 0.000 1.153 191 L CA -1.781 53.155 54.840 0.159 0.000 0.808 191 L CB 0.558 42.665 42.059 0.080 0.000 1.126 191 L HN 0.573 nan 8.230 nan 0.000 0.460 192 P HA 0.058 nan 4.420 nan 0.000 0.269 192 P C 0.637 177.940 177.300 0.005 0.000 1.215 192 P CA 0.581 63.635 63.100 -0.077 0.000 0.780 192 P CB 0.920 32.524 31.700 -0.160 0.000 0.898 193 G N 0.298 109.091 108.800 -0.012 0.000 2.299 193 G HA2 -0.174 3.778 3.960 -0.013 0.000 0.237 193 G HA3 -0.174 3.778 3.960 -0.013 0.000 0.237 193 G C 0.057 175.001 174.900 0.074 0.000 1.027 193 G CA -0.186 44.927 45.100 0.021 0.000 0.619 193 G HN 0.651 nan 8.290 nan 0.000 0.513 194 Q N 1.612 121.493 119.800 0.136 0.000 2.227 194 Q HA 0.616 4.948 4.340 -0.013 0.000 0.245 194 Q C -2.390 173.705 176.000 0.159 0.000 0.926 194 Q CA -1.913 53.961 55.803 0.119 0.000 0.895 194 Q CB 1.396 30.186 28.738 0.086 0.000 1.230 194 Q HN 0.436 nan 8.270 nan 0.000 0.450 195 P HA 0.238 nan 4.420 nan 0.000 0.278 195 P C -0.688 176.596 177.300 -0.026 0.000 1.258 195 P CA -0.684 62.450 63.100 0.058 0.000 0.811 195 P CB 0.761 32.481 31.700 0.034 0.000 1.063 196 L N 1.776 122.955 121.223 -0.074 0.000 2.356 196 L HA 0.322 4.654 4.340 -0.013 0.000 0.282 196 L C 1.401 178.222 176.870 -0.082 0.000 1.132 196 L CA 0.085 54.831 54.840 -0.156 0.000 0.923 196 L CB -0.660 41.277 42.059 -0.204 0.000 1.278 196 L HN 0.529 nan 8.230 nan 0.000 0.436 197 G N 1.456 110.216 108.800 -0.068 0.000 2.732 197 G HA2 0.015 3.967 3.960 -0.013 0.000 0.244 197 G HA3 0.015 3.967 3.960 -0.013 0.000 0.244 197 G C 0.846 175.721 174.900 -0.041 0.000 1.226 197 G CA -0.203 44.872 45.100 -0.041 0.000 0.860 197 G HN 0.680 nan 8.290 nan 0.000 0.583 198 D N 0.558 120.943 120.400 -0.025 0.000 2.070 198 D HA -0.224 4.408 4.640 -0.013 0.000 0.578 198 D C 2.167 178.452 176.300 -0.025 0.000 0.816 198 D CA 2.574 56.563 54.000 -0.019 0.000 1.627 198 D CB -0.763 40.030 40.800 -0.012 0.000 0.753 198 D HN 0.602 nan 8.370 nan 0.000 0.354 199 G N 0.059 108.845 108.800 -0.024 0.000 3.707 199 G HA2 0.206 4.158 3.960 -0.013 0.000 0.286 199 G HA3 0.206 4.158 3.960 -0.013 0.000 0.286 199 G C 0.039 174.918 174.900 -0.036 0.000 1.112 199 G CA -0.228 44.859 45.100 -0.021 0.000 0.861 199 G HN 0.275 nan 8.290 nan 0.000 0.534 200 Q N 0.089 119.850 119.800 -0.065 0.000 2.260 200 Q HA 0.612 4.944 4.340 -0.013 0.000 0.242 200 Q C -0.367 175.540 176.000 -0.156 0.000 0.932 200 Q CA -0.324 55.416 55.803 -0.105 0.000 0.891 200 Q CB 2.221 30.878 28.738 -0.135 0.000 1.222 200 Q HN 0.500 nan 8.270 nan 0.000 0.453 201 I N -2.862 117.603 120.570 -0.175 0.000 2.894 201 I HA 0.405 4.567 4.170 -0.013 0.000 0.302 201 I C -1.292 174.683 176.117 -0.237 0.000 1.188 201 I CA -1.225 59.954 61.300 -0.202 0.000 1.014 201 I CB 1.293 39.257 38.000 -0.060 0.000 1.242 201 I HN 0.433 nan 8.210 nan 0.000 0.430 202 Y N 1.220 121.517 120.300 -0.005 0.000 2.411 202 Y HA 0.234 4.777 4.550 -0.013 0.000 0.333 202 Y C 0.399 176.288 175.900 -0.019 0.000 1.186 202 Y CA 0.061 58.153 58.100 -0.014 0.000 1.381 202 Y CB 0.468 38.913 38.460 -0.024 0.000 1.273 202 Y HN 0.548 nan 8.280 nan 0.000 0.546 203 D N 1.746 122.235 120.400 0.149 0.000 2.352 203 D HA 0.033 4.665 4.640 -0.013 0.000 0.245 203 D C 0.782 177.103 176.300 0.035 0.000 1.224 203 D CA 0.083 54.126 54.000 0.072 0.000 0.879 203 D CB 0.722 41.561 40.800 0.065 0.000 1.057 203 D HN 0.719 nan 8.370 nan 0.000 0.491 204 T N 0.550 115.102 114.554 -0.002 0.000 3.000 204 T HA 0.013 4.356 4.350 -0.013 0.000 0.248 204 T C 1.389 176.040 174.700 -0.083 0.000 1.034 204 T CA -0.127 61.931 62.100 -0.070 0.000 1.060 204 T CB 0.023 68.806 68.868 -0.141 0.000 0.983 204 T HN 0.085 nan 8.240 nan 0.000 0.482 205 N N 1.757 120.432 118.700 -0.042 0.000 2.166 205 N HA 0.019 4.751 4.740 -0.013 0.000 0.186 205 N C 1.911 177.390 175.510 -0.051 0.000 1.019 205 N CA 1.038 54.065 53.050 -0.037 0.000 0.856 205 N CB -0.396 38.095 38.487 0.006 0.000 0.993 205 N HN 0.457 nan 8.380 nan 0.000 0.426 206 R N 0.660 121.146 120.500 -0.024 0.000 2.073 206 R HA 0.005 4.338 4.340 -0.013 0.000 0.234 206 R C 2.193 178.489 176.300 -0.008 0.000 1.134 206 R CA 0.784 56.878 56.100 -0.010 0.000 0.952 206 R CB -0.453 29.864 30.300 0.028 0.000 0.850 206 R HN 0.190 nan 8.270 nan 0.000 0.433 207 L N 0.290 121.496 121.223 -0.028 0.000 2.013 207 L HA -0.226 4.107 4.340 -0.013 0.000 0.212 207 L C 2.345 179.181 176.870 -0.057 0.000 1.073 207 L CA 1.951 56.763 54.840 -0.047 0.000 0.753 207 L CB -0.682 41.329 42.059 -0.080 0.000 0.890 207 L HN 0.396 nan 8.230 nan 0.000 0.432 208 A N -0.676 122.087 122.820 -0.094 0.000 1.873 208 A HA -0.215 4.097 4.320 -0.013 0.000 0.218 208 A C 2.188 179.650 177.584 -0.203 0.000 1.193 208 A CA 2.247 54.214 52.037 -0.117 0.000 0.629 208 A CB -1.010 17.929 19.000 -0.100 0.000 0.826 208 A HN 0.355 nan 8.150 nan 0.000 0.447 209 V N -0.475 119.284 119.914 -0.258 0.000 2.358 209 V HA -0.240 3.872 4.120 -0.013 0.000 0.246 209 V C 2.537 178.465 176.094 -0.277 0.000 1.047 209 V CA 2.099 64.120 62.300 -0.465 0.000 1.035 209 V CB -0.998 30.593 31.823 -0.386 0.000 0.658 209 V HN 0.760 nan 8.190 nan 0.000 0.452 210 H N 0.186 119.139 119.070 -0.195 0.000 2.352 210 H HA -0.132 4.416 4.556 -0.013 0.000 0.299 210 H C 2.161 177.420 175.328 -0.114 0.000 1.097 210 H CA 2.022 57.998 56.048 -0.121 0.000 1.311 210 H CB -0.092 29.622 29.762 -0.080 0.000 1.377 210 H HN 0.347 nan 8.280 nan 0.000 0.504 211 L N -0.523 120.739 121.223 0.064 0.000 2.056 211 L HA -0.171 4.162 4.340 -0.013 0.000 0.207 211 L C 3.002 179.846 176.870 -0.044 0.000 1.078 211 L CA 1.024 55.873 54.840 0.016 0.000 0.749 211 L CB -0.341 41.697 42.059 -0.035 0.000 0.901 211 L HN 0.224 nan 8.230 nan 0.000 0.433 212 M N -0.633 118.886 119.600 -0.135 0.000 2.099 212 M HA -0.189 4.284 4.480 -0.013 0.000 0.262 212 M C 2.343 178.632 176.300 -0.019 0.000 1.067 212 M CA 1.671 56.902 55.300 -0.116 0.000 1.124 212 M CB -0.313 32.157 32.600 -0.217 0.000 1.353 212 M HN 0.207 nan 8.290 nan 0.000 0.410 213 L N -0.085 121.107 121.223 -0.052 0.000 1.990 213 L HA -0.277 4.055 4.340 -0.013 0.000 0.213 213 L C 2.356 179.223 176.870 -0.005 0.000 1.072 213 L CA 1.669 56.515 54.840 0.010 0.000 0.755 213 L CB -0.725 41.288 42.059 -0.077 0.000 0.889 213 L HN 0.369 nan 8.230 nan 0.000 0.432 214 E N -0.706 119.484 120.200 -0.017 0.000 2.085 214 E HA -0.242 4.101 4.350 -0.013 0.000 0.194 214 E C 2.232 178.840 176.600 0.014 0.000 0.994 214 E CA 1.017 57.424 56.400 0.011 0.000 0.801 214 E CB 0.125 29.864 29.700 0.065 0.000 0.743 214 E HN 0.402 nan 8.360 nan 0.000 0.453 215 Q N -0.306 119.497 119.800 0.006 0.000 2.378 215 Q HA -0.024 4.308 4.340 -0.013 0.000 0.205 215 Q C 1.805 177.808 176.000 0.006 0.000 0.954 215 Q CA 0.606 56.409 55.803 -0.000 0.000 0.901 215 Q CB 0.196 28.921 28.738 -0.022 0.000 0.981 215 Q HN 0.360 nan 8.270 nan 0.000 0.483 216 L N -0.647 120.582 121.223 0.010 0.000 2.591 216 L HA 0.118 4.450 4.340 -0.013 0.000 0.228 216 L C 0.957 177.835 176.870 0.013 0.000 1.133 216 L CA 0.457 55.301 54.840 0.007 0.000 0.880 216 L CB -0.060 42.008 42.059 0.015 0.000 1.033 216 L HN 0.327 nan 8.230 nan 0.000 0.450 217 G N -1.092 107.721 108.800 0.021 0.000 2.157 217 G HA2 -0.246 3.706 3.960 -0.013 0.000 0.248 217 G HA3 -0.246 3.706 3.960 -0.013 0.000 0.248 217 G C 0.268 175.178 174.900 0.016 0.000 0.979 217 G CA -0.035 45.080 45.100 0.025 0.000 0.650 217 G HN 0.328 nan 8.290 nan 0.000 0.529 218 C N 0.409 119.715 119.300 0.009 0.000 2.403 218 C HA 0.645 5.097 4.460 -0.013 0.000 0.361 218 C C 0.759 175.744 174.990 -0.008 0.000 1.274 218 C CA -0.671 58.348 59.018 0.003 0.000 2.433 218 C CB 1.287 29.029 27.740 0.002 0.000 2.323 218 C HN 0.477 nan 8.230 nan 0.000 0.614 219 E N 0.900 121.094 120.200 -0.009 0.000 2.081 219 E HA 0.375 4.717 4.350 -0.013 0.000 0.276 219 E C -1.046 175.528 176.600 -0.044 0.000 0.950 219 E CA -0.064 56.327 56.400 -0.015 0.000 0.776 219 E CB 1.375 31.076 29.700 0.002 0.000 1.094 219 E HN 0.404 nan 8.360 nan 0.000 0.402 220 V N 5.340 125.199 119.914 -0.092 0.000 2.567 220 V HA 0.343 4.456 4.120 -0.013 0.000 0.289 220 V C 0.330 176.365 176.094 -0.097 0.000 1.049 220 V CA -0.394 61.793 62.300 -0.189 0.000 0.969 220 V CB 1.337 32.833 31.823 -0.546 0.000 0.995 220 V HN 0.556 nan 8.190 nan 0.000 0.471 221 I N 3.812 124.341 120.570 -0.068 0.000 2.563 221 I HA 0.314 4.477 4.170 -0.013 0.000 0.276 221 I C -0.229 175.904 176.117 0.028 0.000 1.074 221 I CA -0.257 61.046 61.300 0.005 0.000 1.124 221 I CB 1.020 39.035 38.000 0.026 0.000 1.225 221 I HN 0.604 nan 8.210 nan 0.000 0.482 222 N N 5.212 123.952 118.700 0.067 0.000 2.415 222 N HA 0.190 4.922 4.740 -0.013 0.000 0.246 222 N C 0.657 176.234 175.510 0.113 0.000 1.078 222 N CA -0.467 52.656 53.050 0.121 0.000 0.942 222 N CB 0.800 39.438 38.487 0.251 0.000 1.140 222 N HN 0.460 nan 8.380 nan 0.000 0.501 223 L N 2.763 124.065 121.223 0.130 0.000 2.599 223 L HA 0.308 4.641 4.340 -0.013 0.000 0.230 223 L C 1.567 178.482 176.870 0.075 0.000 1.141 223 L CA 0.619 55.512 54.840 0.089 0.000 0.877 223 L CB -1.798 40.303 42.059 0.070 0.000 1.009 223 L HN 0.814 nan 8.230 nan 0.000 0.447 224 G N 0.172 109.038 108.800 0.111 0.000 2.553 224 G HA2 -0.273 3.679 3.960 -0.013 0.000 0.242 224 G HA3 -0.273 3.679 3.960 -0.013 0.000 0.242 224 G C 0.013 174.973 174.900 0.101 0.000 1.277 224 G CA -0.247 44.905 45.100 0.086 0.000 0.910 224 G HN 0.113 nan 8.290 nan 0.000 0.576 225 I N 1.601 122.211 120.570 0.066 0.000 2.342 225 I HA 0.326 4.489 4.170 -0.013 0.000 0.291 225 I C 0.450 176.581 176.117 0.023 0.000 1.010 225 I CA -0.701 60.638 61.300 0.065 0.000 1.308 225 I CB 0.950 38.984 38.000 0.056 0.000 1.400 225 I HN 0.256 nan 8.210 nan 0.000 0.488 226 I N 6.179 126.753 120.570 0.006 0.000 2.396 226 I HA 0.293 4.456 4.170 -0.013 0.000 0.292 226 I C 0.627 176.750 176.117 0.009 0.000 0.999 226 I CA -0.594 60.674 61.300 -0.054 0.000 1.310 226 I CB 1.008 38.896 38.000 -0.186 0.000 1.404 226 I HN 0.619 nan 8.210 nan 0.000 0.496 227 R N 2.757 123.258 120.500 0.001 0.000 2.643 227 R HA 0.091 4.423 4.340 -0.013 0.000 0.270 227 R C -0.357 175.969 176.300 0.044 0.000 1.061 227 R CA -0.671 55.440 56.100 0.018 0.000 1.107 227 R CB 0.322 30.622 30.300 0.000 0.000 0.999 227 R HN 0.378 nan 8.270 nan 0.000 0.460 228 D N 1.858 122.286 120.400 0.047 0.000 2.606 228 D HA -0.027 4.605 4.640 -0.013 0.000 0.234 228 D C -0.828 175.385 176.300 -0.145 0.000 1.140 228 D CA 1.092 55.127 54.000 0.059 0.000 1.182 228 D CB -0.322 40.509 40.800 0.052 0.000 1.130 228 D HN 0.476 nan 8.370 nan 0.000 0.485 229 D N 1.655 121.953 120.400 -0.170 0.000 2.871 229 D HA 0.042 4.674 4.640 -0.013 0.000 0.209 229 D C -2.246 173.951 176.300 -0.172 0.000 1.292 229 D CA -1.318 52.512 54.000 -0.283 0.000 0.869 229 D CB 2.290 43.029 40.800 -0.102 0.000 1.663 229 D HN -0.066 nan 8.370 nan 0.000 0.557 230 P HA -0.163 nan 4.420 nan 0.000 0.218 230 P C 1.213 178.412 177.300 -0.169 0.000 1.148 230 P CA 1.174 64.205 63.100 -0.115 0.000 0.822 230 P CB 0.215 31.747 31.700 -0.279 0.000 0.784 231 H N 0.153 119.228 119.070 0.008 0.000 2.333 231 H HA 0.078 4.626 4.556 -0.013 0.000 0.302 231 H C 2.176 177.505 175.328 0.002 0.000 1.075 231 H CA 1.448 57.499 56.048 0.005 0.000 1.348 231 H CB -1.090 28.663 29.762 -0.016 0.000 1.393 231 H HN 0.079 nan 8.280 nan 0.000 0.509 232 A N 1.809 124.686 122.820 0.094 0.000 1.927 232 A HA -0.163 4.149 4.320 -0.013 0.000 0.220 232 A C 2.626 180.198 177.584 -0.019 0.000 1.185 232 A CA 1.458 53.507 52.037 0.020 0.000 0.639 232 A CB -0.892 18.109 19.000 0.002 0.000 0.820 232 A HN 0.315 nan 8.150 nan 0.000 0.451 233 L N -1.439 119.807 121.223 0.038 0.000 2.068 233 L HA -0.083 4.249 4.340 -0.013 0.000 0.204 233 L C 2.818 179.780 176.870 0.153 0.000 1.076 233 L CA 1.302 56.177 54.840 0.059 0.000 0.753 233 L CB -0.473 41.724 42.059 0.232 0.000 0.910 233 L HN 0.420 nan 8.230 nan 0.000 0.439 234 R N -0.322 120.271 120.500 0.154 0.000 2.105 234 R HA -0.174 4.159 4.340 -0.013 0.000 0.239 234 R C 2.229 178.600 176.300 0.119 0.000 1.135 234 R CA 1.431 57.623 56.100 0.154 0.000 0.967 234 R CB -0.360 29.991 30.300 0.084 0.000 0.861 234 R HN 0.395 nan 8.270 nan 0.000 0.442 235 A N 0.918 123.771 122.820 0.056 0.000 1.969 235 A HA -0.037 4.276 4.320 -0.013 0.000 0.218 235 A C 2.310 179.870 177.584 -0.039 0.000 1.169 235 A CA 1.459 53.505 52.037 0.015 0.000 0.635 235 A CB -0.440 18.562 19.000 0.004 0.000 0.810 235 A HN 0.390 nan 8.150 nan 0.000 0.445 236 A N -1.131 121.600 122.820 -0.148 0.000 1.898 236 A HA 0.040 4.353 4.320 -0.013 0.000 0.216 236 A C 1.982 179.426 177.584 -0.234 0.000 1.181 236 A CA 1.302 53.123 52.037 -0.360 0.000 0.620 236 A CB -0.705 17.781 19.000 -0.857 0.000 0.819 236 A HN 0.468 nan 8.150 nan 0.000 0.442 237 F N -0.092 119.815 119.950 -0.071 0.000 2.146 237 F HA -0.115 4.405 4.527 -0.013 0.000 0.298 237 F C 2.153 177.970 175.800 0.028 0.000 1.096 237 F CA 1.407 59.440 58.000 0.056 0.000 1.275 237 F CB -0.263 38.742 39.000 0.008 0.000 1.008 237 F HN 0.113 nan 8.300 nan 0.000 0.480 238 I N 0.174 120.854 120.570 0.183 0.000 2.163 238 I HA -0.321 3.842 4.170 -0.013 0.000 0.243 238 I C 2.461 178.619 176.117 0.069 0.000 1.085 238 I CA 1.951 63.309 61.300 0.095 0.000 1.347 238 I CB -0.464 37.570 38.000 0.057 0.000 1.044 238 I HN 0.167 nan 8.210 nan 0.000 0.408 239 E N 1.474 121.704 120.200 0.049 0.000 2.072 239 E HA -0.206 4.136 4.350 -0.013 0.000 0.191 239 E C 2.144 178.779 176.600 0.058 0.000 0.985 239 E CA 1.464 57.884 56.400 0.034 0.000 0.801 239 E CB -0.150 29.552 29.700 0.003 0.000 0.750 239 E HN 0.417 nan 8.360 nan 0.000 0.452 240 A N 0.840 123.715 122.820 0.092 0.000 1.898 240 A HA -0.198 4.114 4.320 -0.013 0.000 0.216 240 A C 2.047 179.706 177.584 0.125 0.000 1.181 240 A CA 1.803 53.921 52.037 0.136 0.000 0.620 240 A CB -0.854 18.290 19.000 0.239 0.000 0.819 240 A HN 0.517 nan 8.150 nan 0.000 0.442 241 D N -0.316 120.166 120.400 0.136 0.000 2.224 241 D HA -0.125 4.507 4.640 -0.013 0.000 0.205 241 D C 2.043 178.371 176.300 0.046 0.000 0.965 241 D CA 1.646 55.704 54.000 0.097 0.000 0.852 241 D CB 0.026 40.882 40.800 0.093 0.000 0.947 241 D HN 0.469 nan 8.370 nan 0.000 0.494 242 S N -1.304 114.422 115.700 0.044 0.000 2.470 242 S HA -0.041 4.421 4.470 -0.013 0.000 0.225 242 S C 1.890 176.505 174.600 0.024 0.000 1.006 242 S CA 0.229 58.443 58.200 0.023 0.000 0.934 242 S CB 0.005 63.217 63.200 0.020 0.000 0.778 242 S HN 0.078 nan 8.310 nan 0.000 0.517 243 Q N 1.105 120.926 119.800 0.035 0.000 2.391 243 Q HA 0.561 4.893 4.340 -0.013 0.000 0.211 243 Q C 0.496 176.518 176.000 0.036 0.000 0.908 243 Q CA 0.737 56.559 55.803 0.033 0.000 0.920 243 Q CB 0.640 29.401 28.738 0.037 0.000 1.056 243 Q HN 0.735 nan 8.270 nan 0.000 0.523 244 A N -0.708 122.139 122.820 0.046 0.000 2.479 244 A HA 0.486 4.798 4.320 -0.013 0.000 0.296 244 A C -0.324 177.294 177.584 0.057 0.000 1.121 244 A CA -0.527 51.541 52.037 0.052 0.000 0.743 244 A CB 0.972 20.010 19.000 0.063 0.000 1.323 244 A HN 0.047 nan 8.150 nan 0.000 0.415 245 D N -0.629 119.815 120.400 0.073 0.000 2.305 245 D HA 0.165 4.798 4.640 -0.013 0.000 0.206 245 D C -0.058 176.341 176.300 0.164 0.000 0.974 245 D CA 1.352 55.414 54.000 0.104 0.000 0.871 245 D CB 0.591 41.462 40.800 0.119 0.000 0.947 245 D HN 0.207 nan 8.370 nan 0.000 0.516 246 V N 1.190 121.190 119.914 0.142 0.000 2.808 246 V HA 0.307 4.419 4.120 -0.013 0.000 0.308 246 V C -0.290 175.874 176.094 0.117 0.000 1.099 246 V CA -0.909 61.490 62.300 0.165 0.000 0.920 246 V CB 2.862 34.775 31.823 0.151 0.000 1.014 246 V HN -0.281 nan 8.190 nan 0.000 0.425 247 V N 5.187 125.185 119.914 0.141 0.000 2.495 247 V HA 0.594 4.706 4.120 -0.013 0.000 0.298 247 V C -0.401 175.671 176.094 -0.036 0.000 1.031 247 V CA -0.459 61.911 62.300 0.117 0.000 0.871 247 V CB 1.908 33.929 31.823 0.329 0.000 0.988 247 V HN 0.706 nan 8.190 nan 0.000 0.432 248 I N 2.973 123.432 120.570 -0.186 0.000 2.436 248 I HA 0.378 4.540 4.170 -0.013 0.000 0.289 248 I C 0.102 175.940 176.117 -0.465 0.000 1.010 248 I CA -0.345 60.770 61.300 -0.307 0.000 1.098 248 I CB 2.125 40.041 38.000 -0.140 0.000 1.266 248 I HN 0.616 nan 8.210 nan 0.000 0.434 249 S N 3.462 118.910 115.700 -0.420 0.000 2.430 249 S HA 0.155 4.617 4.470 -0.013 0.000 0.289 249 S C 1.037 175.555 174.600 -0.137 0.000 1.143 249 S CA -0.556 57.468 58.200 -0.292 0.000 1.067 249 S CB 0.656 63.876 63.200 0.032 0.000 0.964 249 S HN 0.729 nan 8.310 nan 0.000 0.485 250 S N 3.306 118.945 115.700 -0.101 0.000 2.593 250 S HA 0.474 4.936 4.470 -0.013 0.000 0.217 250 S C 0.831 175.448 174.600 0.029 0.000 0.966 250 S CA -0.009 58.175 58.200 -0.026 0.000 0.914 250 S CB -0.359 62.816 63.200 -0.041 0.000 0.776 250 S HN 1.421 nan 8.310 nan 0.000 0.523 251 G N -1.608 107.222 108.800 0.050 0.000 2.282 251 G HA2 0.516 4.468 3.960 -0.013 0.000 0.274 251 G HA3 0.516 4.468 3.960 -0.013 0.000 0.274 251 G C 0.195 175.157 174.900 0.103 0.000 1.718 251 G CA -0.272 44.877 45.100 0.082 0.000 0.927 251 G HN 1.216 nan 8.290 nan 0.000 0.733 252 G N -0.913 107.952 108.800 0.109 0.000 2.391 252 G HA2 0.011 3.963 3.960 -0.013 0.000 0.204 252 G HA3 0.011 3.963 3.960 -0.013 0.000 0.204 252 G C 0.621 175.587 174.900 0.110 0.000 1.012 252 G CA 0.647 45.814 45.100 0.111 0.000 0.651 252 G HN 1.768 nan 8.290 nan 0.000 0.494 253 V N 1.695 121.707 119.914 0.163 0.000 2.953 253 V HA 0.633 4.745 4.120 -0.013 0.000 0.304 253 V C 1.326 177.514 176.094 0.156 0.000 1.073 253 V CA 0.445 62.856 62.300 0.184 0.000 1.064 253 V CB 1.617 33.659 31.823 0.365 0.000 1.047 253 V HN 0.590 nan 8.190 nan 0.000 0.478 254 S N 1.057 116.829 115.700 0.121 0.000 2.564 254 S HA 0.227 4.689 4.470 -0.013 0.000 0.278 254 S C 0.462 175.225 174.600 0.272 0.000 1.333 254 S CA -0.200 58.061 58.200 0.101 0.000 1.048 254 S CB 1.001 64.179 63.200 -0.037 0.000 0.900 254 S HN 0.825 nan 8.310 nan 0.000 0.505 255 V N 1.923 121.969 119.914 0.219 0.000 3.346 255 V HA 0.649 4.762 4.120 -0.013 0.000 0.309 255 V C 1.045 177.331 176.094 0.319 0.000 1.457 255 V CA 0.384 62.893 62.300 0.348 0.000 1.069 255 V CB -0.226 31.736 31.823 0.231 0.000 0.944 255 V HN 0.985 nan 8.190 nan 0.000 0.449 256 G N 0.145 108.922 108.800 -0.038 0.000 4.040 256 G HA2 -0.015 3.938 3.960 -0.013 0.000 0.192 256 G HA3 -0.015 3.938 3.960 -0.013 0.000 0.192 256 G C -0.067 174.653 174.900 -0.299 0.000 0.963 256 G CA -0.177 44.783 45.100 -0.234 0.000 0.886 256 G HN 0.385 nan 8.290 nan 0.000 0.333 257 E N 1.445 121.554 120.200 -0.151 0.000 2.384 257 E HA 0.558 4.900 4.350 -0.013 0.000 0.266 257 E C 0.512 177.020 176.600 -0.153 0.000 1.012 257 E CA 0.472 56.803 56.400 -0.115 0.000 0.901 257 E CB 1.201 30.874 29.700 -0.044 0.000 0.967 257 E HN 0.574 nan 8.360 nan 0.000 0.435 258 A N 4.629 127.374 122.820 -0.125 0.000 2.409 258 A HA 0.433 4.745 4.320 -0.013 0.000 0.267 258 A C -0.596 176.943 177.584 -0.075 0.000 1.127 258 A CA -0.166 51.798 52.037 -0.120 0.000 0.795 258 A CB 0.056 19.003 19.000 -0.090 0.000 1.061 258 A HN 0.686 nan 8.150 nan 0.000 0.502 259 D N 0.448 120.799 120.400 -0.081 0.000 2.865 259 D HA 0.080 4.712 4.640 -0.013 0.000 0.343 259 D C 0.368 176.645 176.300 -0.039 0.000 1.372 259 D CA 0.024 54.004 54.000 -0.032 0.000 0.862 259 D CB -0.352 40.429 40.800 -0.032 0.000 1.425 259 D HN 0.440 nan 8.370 nan 0.000 0.501 260 Y N -0.824 119.463 120.300 -0.021 0.000 2.256 260 Y HA -0.111 4.431 4.550 -0.013 0.000 0.288 260 Y C 1.999 177.888 175.900 -0.018 0.000 1.155 260 Y CA 2.362 60.445 58.100 -0.029 0.000 1.203 260 Y CB -1.318 37.121 38.460 -0.034 0.000 0.980 260 Y HN 0.467 nan 8.280 nan 0.000 0.530 261 T N -1.902 112.227 114.554 -0.707 0.000 2.896 261 T HA -0.094 4.249 4.350 -0.013 0.000 0.263 261 T C 1.777 176.363 174.700 -0.190 0.000 1.050 261 T CA 1.159 62.975 62.100 -0.472 0.000 1.140 261 T CB -0.372 68.211 68.868 -0.474 0.000 0.877 261 T HN 0.440 nan 8.240 nan 0.000 0.457 262 K N 1.333 121.632 120.400 -0.168 0.000 2.211 262 K HA -0.100 4.212 4.320 -0.013 0.000 0.203 262 K C 2.466 179.015 176.600 -0.086 0.000 1.050 262 K CA 1.647 57.866 56.287 -0.113 0.000 0.945 262 K CB -0.326 32.047 32.500 -0.212 0.000 0.732 262 K HN 0.629 nan 8.250 nan 0.000 0.451 263 T N -1.419 113.083 114.554 -0.086 0.000 2.937 263 T HA -0.035 4.307 4.350 -0.013 0.000 0.260 263 T C 1.827 176.475 174.700 -0.087 0.000 1.051 263 T CA 0.624 62.686 62.100 -0.064 0.000 1.141 263 T CB -0.208 68.639 68.868 -0.035 0.000 0.879 263 T HN 0.065 nan 8.240 nan 0.000 0.459 264 I N 1.209 121.719 120.570 -0.100 0.000 2.208 264 I HA -0.053 4.110 4.170 -0.013 0.000 0.245 264 I C 2.530 178.469 176.117 -0.297 0.000 1.097 264 I CA 1.056 62.265 61.300 -0.151 0.000 1.363 264 I CB -0.398 37.548 38.000 -0.091 0.000 1.051 264 I HN 0.235 nan 8.210 nan 0.000 0.413 265 L N -0.213 120.820 121.223 -0.316 0.000 2.046 265 L HA -0.247 4.085 4.340 -0.013 0.000 0.208 265 L C 2.374 179.083 176.870 -0.268 0.000 1.077 265 L CA 1.645 56.233 54.840 -0.420 0.000 0.747 265 L CB -0.416 41.500 42.059 -0.238 0.000 0.896 265 L HN 0.296 nan 8.230 nan 0.000 0.432 266 E N -0.756 119.368 120.200 -0.126 0.000 2.274 266 E HA -0.205 4.138 4.350 -0.013 0.000 0.194 266 E C 1.920 178.456 176.600 -0.107 0.000 0.996 266 E CA 0.409 56.763 56.400 -0.077 0.000 0.840 266 E CB 0.193 29.883 29.700 -0.017 0.000 0.772 266 E HN 0.348 nan 8.360 nan 0.000 0.491 267 E N 0.132 120.254 120.200 -0.130 0.000 2.285 267 E HA -0.071 4.272 4.350 -0.013 0.000 0.194 267 E C 1.460 177.970 176.600 -0.150 0.000 0.997 267 E CA 0.449 56.778 56.400 -0.118 0.000 0.845 267 E CB 0.333 29.974 29.700 -0.098 0.000 0.782 267 E HN 0.274 nan 8.360 nan 0.000 0.491 268 L N -0.749 120.337 121.223 -0.228 0.000 2.638 268 L HA 0.330 4.663 4.340 -0.013 0.000 0.232 268 L C 0.939 177.664 176.870 -0.242 0.000 1.099 268 L CA 0.198 54.889 54.840 -0.248 0.000 0.883 268 L CB 1.051 42.891 42.059 -0.367 0.000 1.136 268 L HN 0.034 nan 8.230 nan 0.000 0.492 269 G N -0.519 108.136 108.800 -0.243 0.000 2.430 269 G HA2 0.271 4.224 3.960 -0.013 0.000 0.300 269 G HA3 0.271 4.224 3.960 -0.013 0.000 0.300 269 G C -1.600 173.185 174.900 -0.192 0.000 1.330 269 G CA -0.570 44.396 45.100 -0.223 0.000 0.813 269 G HN -0.143 nan 8.290 nan 0.000 0.487 270 E N 0.438 120.533 120.200 -0.175 0.000 1.993 270 E HA 0.469 4.812 4.350 -0.013 0.000 0.271 270 E C -0.767 175.724 176.600 -0.181 0.000 1.008 270 E CA -0.230 56.091 56.400 -0.133 0.000 0.814 270 E CB 1.653 31.304 29.700 -0.082 0.000 1.098 270 E HN 0.318 nan 8.360 nan 0.000 0.407 271 I N 1.752 122.185 120.570 -0.227 0.000 2.433 271 I HA 0.354 4.516 4.170 -0.013 0.000 0.292 271 I C -0.130 175.694 176.117 -0.488 0.000 1.001 271 I CA -0.625 60.435 61.300 -0.400 0.000 1.119 271 I CB 1.892 39.581 38.000 -0.518 0.000 1.289 271 I HN 0.398 nan 8.210 nan 0.000 0.438 272 A N 6.371 128.872 122.820 -0.532 0.000 2.301 272 A HA 0.730 5.043 4.320 -0.013 0.000 0.312 272 A C -1.040 176.091 177.584 -0.755 0.000 1.182 272 A CA -0.221 51.547 52.037 -0.447 0.000 0.826 272 A CB 0.135 18.946 19.000 -0.315 0.000 1.134 272 A HN 0.504 nan 8.150 nan 0.000 0.501 273 F N 2.510 122.396 119.950 -0.107 0.000 2.332 273 F HA 0.378 4.897 4.527 -0.013 0.000 0.368 273 F C -0.250 175.666 175.800 0.194 0.000 1.110 273 F CA -0.346 57.637 58.000 -0.028 0.000 1.087 273 F CB 0.862 39.876 39.000 0.022 0.000 1.235 273 F HN 0.527 nan 8.300 nan 0.000 0.470 274 W N 2.769 124.206 121.300 0.227 0.000 2.359 274 W HA 0.504 5.156 4.660 -0.013 0.000 0.344 274 W C -0.320 176.318 176.519 0.199 0.000 1.170 274 W CA -1.636 55.833 57.345 0.206 0.000 1.296 274 W CB 0.884 30.478 29.460 0.223 0.000 1.197 274 W HN 0.275 nan 8.180 nan 0.000 0.618 275 K N 3.025 123.649 120.400 0.374 0.000 2.579 275 K HA 0.288 4.601 4.320 -0.013 0.000 0.225 275 K C -0.824 175.866 176.600 0.150 0.000 0.992 275 K CA -0.906 55.522 56.287 0.233 0.000 1.018 275 K CB 0.968 33.572 32.500 0.174 0.000 1.249 275 K HN -0.056 nan 8.250 nan 0.000 0.489 276 L N 1.770 123.088 121.223 0.158 0.000 2.426 276 L HA 0.188 4.520 4.340 -0.013 0.000 0.271 276 L C 0.879 177.786 176.870 0.062 0.000 1.169 276 L CA 0.050 54.936 54.840 0.076 0.000 0.836 276 L CB 0.545 42.652 42.059 0.079 0.000 1.112 276 L HN 0.681 nan 8.230 nan 0.000 0.465 277 A N 5.978 128.816 122.820 0.030 0.000 3.126 277 A HA 0.512 4.825 4.320 -0.013 0.000 0.268 277 A C 0.113 177.726 177.584 0.050 0.000 1.605 277 A CA -0.264 51.792 52.037 0.031 0.000 1.305 277 A CB -1.093 17.910 19.000 0.006 0.000 1.160 277 A HN 0.640 nan 8.150 nan 0.000 0.609 278 I N -3.032 117.585 120.570 0.079 0.000 3.145 278 I HA 0.807 4.969 4.170 -0.013 0.000 0.313 278 I C -0.849 175.341 176.117 0.122 0.000 1.122 278 I CA -1.274 60.103 61.300 0.129 0.000 0.987 278 I CB 2.423 40.517 38.000 0.157 0.000 1.236 278 I HN 0.100 nan 8.210 nan 0.000 0.453 279 K N 3.221 123.718 120.400 0.162 0.000 2.543 279 K HA 0.565 4.877 4.320 -0.013 0.000 0.255 279 K C -3.025 173.679 176.600 0.174 0.000 0.934 279 K CA -1.550 54.818 56.287 0.134 0.000 0.810 279 K CB 2.799 35.355 32.500 0.093 0.000 1.315 279 K HN 0.434 nan 8.250 nan 0.000 0.433 280 P HA 0.285 nan 4.420 nan 0.000 0.274 280 P C 0.138 177.504 177.300 0.111 0.000 1.256 280 P CA 0.540 63.713 63.100 0.121 0.000 0.795 280 P CB 0.677 32.452 31.700 0.125 0.000 1.038 281 G N -0.248 108.620 108.800 0.114 0.000 2.610 281 G HA2 -0.014 3.938 3.960 -0.013 0.000 0.304 281 G HA3 -0.014 3.938 3.960 -0.013 0.000 0.304 281 G C -0.163 174.807 174.900 0.117 0.000 1.309 281 G CA 0.456 45.626 45.100 0.116 0.000 0.906 281 G HN 0.892 nan 8.290 nan 0.000 0.521 282 K N -2.140 118.341 120.400 0.135 0.000 2.442 282 K HA 0.044 4.356 4.320 -0.013 0.000 0.207 282 K C -2.487 174.238 176.600 0.208 0.000 2.678 282 K CA 0.696 57.071 56.287 0.146 0.000 1.378 282 K CB -0.558 32.017 32.500 0.126 0.000 2.933 282 K HN 0.682 nan 8.250 nan 0.000 0.377 283 P HA 0.247 nan 4.420 nan 0.000 0.275 283 P C -1.100 176.436 177.300 0.393 0.000 1.228 283 P CA 0.348 63.617 63.100 0.282 0.000 0.786 283 P CB 0.438 32.273 31.700 0.225 0.000 0.927 284 F N 1.153 121.236 119.950 0.222 0.000 2.639 284 F HA 0.532 5.051 4.527 -0.013 0.000 0.326 284 F C -1.622 174.232 175.800 0.090 0.000 1.150 284 F CA -0.723 57.379 58.000 0.170 0.000 1.057 284 F CB 1.295 40.416 39.000 0.202 0.000 1.300 284 F HN 0.436 nan 8.300 nan 0.000 0.486 285 A N 5.854 128.287 122.820 -0.644 0.000 2.276 285 A HA 0.791 5.103 4.320 -0.013 0.000 0.316 285 A C -1.894 175.121 177.584 -0.948 0.000 1.229 285 A CA -0.419 51.210 52.037 -0.679 0.000 0.851 285 A CB 0.482 19.326 19.000 -0.260 0.000 1.165 285 A HN 0.853 nan 8.150 nan 0.000 0.513 286 F N 1.755 121.109 119.950 -0.992 0.000 2.628 286 F HA 0.676 5.195 4.527 -0.013 0.000 0.309 286 F C 0.063 175.592 175.800 -0.451 0.000 1.108 286 F CA 0.683 58.251 58.000 -0.721 0.000 0.971 286 F CB 1.782 40.312 39.000 -0.783 0.000 1.279 286 F HN 1.154 nan 8.300 nan 0.000 0.441 287 G N 4.006 112.178 108.800 -1.047 0.000 2.320 287 G HA2 0.260 4.212 3.960 -0.013 0.000 0.296 287 G HA3 0.260 4.212 3.960 -0.013 0.000 0.296 287 G C -2.328 172.356 174.900 -0.360 0.000 1.306 287 G CA -1.080 43.683 45.100 -0.562 0.000 0.836 287 G HN 0.573 nan 8.290 nan 0.000 0.517 288 K N 0.594 120.829 120.400 -0.275 0.000 2.213 288 K HA 0.564 4.876 4.320 -0.013 0.000 0.270 288 K C 0.108 176.515 176.600 -0.322 0.000 1.002 288 K CA -0.395 55.630 56.287 -0.435 0.000 0.868 288 K CB 1.182 33.367 32.500 -0.524 0.000 1.093 288 K HN 0.386 nan 8.250 nan 0.000 0.454 289 L N 0.844 121.892 121.223 -0.291 0.000 2.567 289 L HA 0.183 4.515 4.340 -0.013 0.000 0.238 289 L C 2.023 178.758 176.870 -0.225 0.000 1.168 289 L CA -0.359 54.346 54.840 -0.225 0.000 0.817 289 L CB 0.400 42.379 42.059 -0.134 0.000 1.409 289 L HN 0.659 nan 8.230 nan 0.000 0.502 290 S N 0.249 115.853 115.700 -0.161 0.000 2.369 290 S HA -0.157 4.305 4.470 -0.013 0.000 0.225 290 S C 0.880 175.386 174.600 -0.157 0.000 1.043 290 S CA 1.677 59.793 58.200 -0.139 0.000 1.074 290 S CB -0.224 62.922 63.200 -0.090 0.000 0.962 290 S HN 0.644 nan 8.310 nan 0.000 0.433 291 N N 0.594 119.213 118.700 -0.135 0.000 2.497 291 N HA 0.225 4.958 4.740 -0.013 0.000 0.284 291 N C -0.816 174.606 175.510 -0.146 0.000 1.459 291 N CA 0.084 53.054 53.050 -0.133 0.000 0.899 291 N CB 1.144 39.588 38.487 -0.071 0.000 1.316 291 N HN 0.418 nan 8.380 nan 0.000 0.500 292 S N -1.107 114.456 115.700 -0.227 0.000 2.636 292 S HA 0.550 5.012 4.470 -0.013 0.000 0.268 292 S C -1.946 172.470 174.600 -0.308 0.000 1.159 292 S CA -0.921 57.170 58.200 -0.181 0.000 0.815 292 S CB 1.343 64.541 63.200 -0.003 0.000 1.130 292 S HN 0.212 nan 8.310 nan 0.000 0.471 293 W N 0.688 121.977 121.300 -0.018 0.000 2.551 293 W HA 0.727 5.379 4.660 -0.013 0.000 0.330 293 W C -0.715 175.778 176.519 -0.044 0.000 1.063 293 W CA -0.633 56.651 57.345 -0.101 0.000 1.222 293 W CB 1.508 30.936 29.460 -0.055 0.000 1.349 293 W HN 0.629 nan 8.180 nan 0.000 0.536 294 F N 3.088 123.000 119.950 -0.064 0.000 2.495 294 F HA 0.659 5.178 4.527 -0.013 0.000 0.327 294 F C -0.837 174.876 175.800 -0.144 0.000 1.103 294 F CA -1.239 56.704 58.000 -0.096 0.000 0.949 294 F CB 0.795 39.713 39.000 -0.137 0.000 1.142 294 F HN 0.186 nan 8.300 nan 0.000 0.457 295 C N 4.212 122.942 119.300 -0.951 0.000 2.364 295 C HA 0.796 5.248 4.460 -0.013 0.000 0.324 295 C C 0.288 174.547 174.990 -1.219 0.000 1.234 295 C CA -0.920 57.623 59.018 -0.793 0.000 1.417 295 C CB 0.573 28.249 27.740 -0.108 0.000 2.101 295 C HN 1.075 nan 8.230 nan 0.000 0.466 296 G N 3.431 111.606 108.800 -1.041 0.000 2.478 296 G HA2 0.674 4.626 3.960 -0.013 0.000 0.317 296 G HA3 0.674 4.626 3.960 -0.013 0.000 0.317 296 G C -0.911 173.901 174.900 -0.146 0.000 1.259 296 G CA -0.324 44.489 45.100 -0.478 0.000 0.933 296 G HN 0.682 nan 8.290 nan 0.000 0.478 297 L N 3.230 124.476 121.223 0.038 0.000 2.352 297 L HA 0.520 4.852 4.340 -0.013 0.000 0.269 297 L C -1.726 175.243 176.870 0.165 0.000 1.034 297 L CA -2.161 52.794 54.840 0.191 0.000 0.806 297 L CB 2.135 44.303 42.059 0.182 0.000 1.244 297 L HN 0.323 nan 8.230 nan 0.000 0.447 298 P HA 0.034 nan 4.420 nan 0.000 0.272 298 P C 0.411 177.792 177.300 0.135 0.000 1.230 298 P CA -0.243 62.954 63.100 0.161 0.000 0.788 298 P CB 0.832 32.635 31.700 0.171 0.000 0.949 299 G N 1.419 110.289 108.800 0.117 0.000 2.422 299 G HA2 -0.187 3.765 3.960 -0.013 0.000 0.218 299 G HA3 -0.187 3.765 3.960 -0.013 0.000 0.218 299 G C 0.755 175.719 174.900 0.106 0.000 1.140 299 G CA 0.173 45.334 45.100 0.102 0.000 0.775 299 G HN 0.617 nan 8.290 nan 0.000 0.545 300 N N 1.085 119.858 118.700 0.121 0.000 2.411 300 N HA 0.147 4.880 4.740 -0.013 0.000 0.265 300 N C -1.270 174.339 175.510 0.166 0.000 1.266 300 N CA -1.009 52.124 53.050 0.138 0.000 0.889 300 N CB 1.392 39.966 38.487 0.145 0.000 1.069 300 N HN -0.108 nan 8.380 nan 0.000 0.476 301 P HA -0.220 nan 4.420 nan 0.000 0.214 301 P C 1.153 178.675 177.300 0.371 0.000 1.163 301 P CA 0.931 64.176 63.100 0.241 0.000 0.889 301 P CB 0.204 32.040 31.700 0.227 0.000 0.790 302 V N -0.379 119.769 119.914 0.388 0.000 2.407 302 V HA -0.221 3.891 4.120 -0.013 0.000 0.248 302 V C 2.282 178.547 176.094 0.286 0.000 1.055 302 V CA 2.420 64.952 62.300 0.387 0.000 1.049 302 V CB -1.387 30.601 31.823 0.275 0.000 0.662 302 V HN 0.169 nan 8.190 nan 0.000 0.455 303 S N 0.370 116.200 115.700 0.217 0.000 2.387 303 S HA -0.066 4.396 4.470 -0.013 0.000 0.226 303 S C 2.227 176.928 174.600 0.167 0.000 1.026 303 S CA 1.158 59.460 58.200 0.170 0.000 0.972 303 S CB -0.436 62.857 63.200 0.155 0.000 0.814 303 S HN 0.630 nan 8.310 nan 0.000 0.477 304 A N 1.956 124.884 122.820 0.180 0.000 1.858 304 A HA -0.124 4.188 4.320 -0.013 0.000 0.216 304 A C 2.367 180.065 177.584 0.189 0.000 1.190 304 A CA 2.137 54.277 52.037 0.172 0.000 0.617 304 A CB -1.551 17.532 19.000 0.137 0.000 0.827 304 A HN 0.454 nan 8.150 nan 0.000 0.443 305 T N 0.482 115.143 114.554 0.179 0.000 2.652 305 T HA -0.150 4.192 4.350 -0.013 0.000 0.267 305 T C 1.871 176.709 174.700 0.230 0.000 1.039 305 T CA 1.376 63.575 62.100 0.165 0.000 1.153 305 T CB -0.420 68.423 68.868 -0.041 0.000 0.863 305 T HN 0.292 nan 8.240 nan 0.000 0.428 306 L N 0.953 122.282 121.223 0.177 0.000 2.012 306 L HA -0.152 4.180 4.340 -0.013 0.000 0.210 306 L C 2.449 179.299 176.870 -0.033 0.000 1.073 306 L CA 2.023 56.899 54.840 0.061 0.000 0.748 306 L CB -1.387 40.682 42.059 0.018 0.000 0.891 306 L HN 0.324 nan 8.230 nan 0.000 0.431 307 T N -0.269 114.289 114.554 0.007 0.000 2.788 307 T HA -0.214 4.128 4.350 -0.013 0.000 0.268 307 T C 1.542 176.187 174.700 -0.092 0.000 1.044 307 T CA 1.529 63.573 62.100 -0.093 0.000 1.139 307 T CB -0.385 68.477 68.868 -0.010 0.000 0.867 307 T HN 0.390 nan 8.240 nan 0.000 0.454 308 F N 0.651 120.578 119.950 -0.038 0.000 2.084 308 F HA -0.075 4.444 4.527 -0.013 0.000 0.296 308 F C 2.124 177.904 175.800 -0.033 0.000 1.111 308 F CA 0.958 58.945 58.000 -0.023 0.000 1.224 308 F CB -0.531 38.483 39.000 0.023 0.000 0.991 308 F HN 0.170 nan 8.300 nan 0.000 0.471 309 Y N 0.616 120.905 120.300 -0.018 0.000 2.224 309 Y HA -0.198 4.344 4.550 -0.013 0.000 0.289 309 Y C 2.146 177.901 175.900 -0.242 0.000 1.146 309 Y CA 1.779 59.836 58.100 -0.072 0.000 1.182 309 Y CB -0.139 38.405 38.460 0.139 0.000 0.983 309 Y HN 0.122 nan 8.280 nan 0.000 0.524 310 Q N -0.818 118.927 119.800 -0.091 0.000 2.356 310 Q HA 0.155 4.487 4.340 -0.013 0.000 0.205 310 Q C 1.450 177.267 176.000 -0.306 0.000 0.901 310 Q CA 0.548 56.217 55.803 -0.223 0.000 0.938 310 Q CB 1.103 29.575 28.738 -0.444 0.000 1.081 310 Q HN 0.544 nan 8.270 nan 0.000 0.517 311 L N -1.862 119.131 121.223 -0.384 0.000 2.664 311 L HA 0.095 4.427 4.340 -0.013 0.000 0.198 311 L C 1.893 178.519 176.870 -0.407 0.000 1.057 311 L CA 0.205 54.790 54.840 -0.426 0.000 0.871 311 L CB 0.137 41.810 42.059 -0.644 0.000 1.364 311 L HN -0.168 nan 8.230 nan 0.000 0.483 312 V N 0.264 119.894 119.914 -0.474 0.000 2.427 312 V HA -0.273 3.839 4.120 -0.013 0.000 0.248 312 V C 2.300 178.052 176.094 -0.571 0.000 1.051 312 V CA 1.895 63.917 62.300 -0.463 0.000 1.048 312 V CB -0.290 31.211 31.823 -0.537 0.000 0.666 312 V HN 0.459 nan 8.190 nan 0.000 0.456 313 Q N -0.171 119.182 119.800 -0.744 0.000 2.050 313 Q HA -0.181 4.151 4.340 -0.013 0.000 0.202 313 Q C -0.051 175.736 176.000 -0.355 0.000 0.980 313 Q CA 2.125 57.577 55.803 -0.585 0.000 0.840 313 Q CB -0.852 27.514 28.738 -0.619 0.000 0.898 313 Q HN 0.498 nan 8.270 nan 0.000 0.424 314 P HA -0.177 nan 4.420 nan 0.000 0.215 314 P C 1.329 178.510 177.300 -0.198 0.000 1.153 314 P CA 1.014 63.980 63.100 -0.223 0.000 0.853 314 P CB -0.153 31.421 31.700 -0.211 0.000 0.788 315 L N -1.102 119.987 121.223 -0.223 0.000 2.017 315 L HA -0.129 4.203 4.340 -0.013 0.000 0.208 315 L C 2.199 178.983 176.870 -0.144 0.000 1.073 315 L CA 1.777 56.502 54.840 -0.191 0.000 0.745 315 L CB -1.302 40.644 42.059 -0.188 0.000 0.894 315 L HN -0.152 nan 8.230 nan 0.000 0.432 316 L N -0.274 120.864 121.223 -0.142 0.000 2.079 316 L HA -0.213 4.119 4.340 -0.013 0.000 0.210 316 L C 2.757 179.580 176.870 -0.078 0.000 1.081 316 L CA 1.161 55.948 54.840 -0.089 0.000 0.752 316 L CB -0.984 41.020 42.059 -0.093 0.000 0.896 316 L HN 0.465 nan 8.230 nan 0.000 0.433 317 A N 0.516 123.272 122.820 -0.106 0.000 1.851 317 A HA -0.302 4.011 4.320 -0.013 0.000 0.216 317 A C 2.337 179.880 177.584 -0.068 0.000 1.195 317 A CA 2.252 54.236 52.037 -0.087 0.000 0.622 317 A CB -0.543 18.394 19.000 -0.104 0.000 0.831 317 A HN 0.329 nan 8.150 nan 0.000 0.444 318 K N -0.354 119.998 120.400 -0.079 0.000 2.044 318 K HA -0.082 4.230 4.320 -0.013 0.000 0.210 318 K C 1.869 178.447 176.600 -0.036 0.000 1.049 318 K CA 1.583 57.833 56.287 -0.062 0.000 0.927 318 K CB -0.399 32.051 32.500 -0.084 0.000 0.713 318 K HN 0.421 nan 8.250 nan 0.000 0.443 319 L N 0.982 122.184 121.223 -0.035 0.000 2.191 319 L HA -0.157 4.175 4.340 -0.013 0.000 0.212 319 L C 2.238 179.117 176.870 0.015 0.000 1.103 319 L CA 1.789 56.634 54.840 0.007 0.000 0.769 319 L CB -0.471 41.599 42.059 0.018 0.000 0.908 319 L HN 0.485 nan 8.230 nan 0.000 0.438 320 S N -1.422 114.275 115.700 -0.005 0.000 2.481 320 S HA 0.007 4.469 4.470 -0.013 0.000 0.231 320 S C 1.543 176.140 174.600 -0.005 0.000 0.996 320 S CA 0.749 58.947 58.200 -0.004 0.000 0.942 320 S CB 0.374 63.563 63.200 -0.019 0.000 0.768 320 S HN 0.577 nan 8.310 nan 0.000 0.520 321 G N 1.156 109.951 108.800 -0.007 0.000 2.195 321 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.224 321 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.224 321 G C -0.047 174.843 174.900 -0.017 0.000 0.990 321 G CA -0.078 45.018 45.100 -0.006 0.000 0.639 321 G HN 0.637 nan 8.290 nan 0.000 0.514 322 N N 1.577 120.260 118.700 -0.028 0.000 2.412 322 N HA 0.262 4.995 4.740 -0.013 0.000 0.258 322 N C 1.619 177.110 175.510 -0.032 0.000 1.236 322 N CA 1.187 54.214 53.050 -0.037 0.000 0.882 322 N CB 0.989 39.447 38.487 -0.048 0.000 1.066 322 N HN 0.510 nan 8.380 nan 0.000 0.465 323 T N -0.050 114.487 114.554 -0.028 0.000 3.122 323 T HA 0.299 4.641 4.350 -0.013 0.000 0.250 323 T C 0.656 175.342 174.700 -0.023 0.000 1.067 323 T CA -0.359 61.728 62.100 -0.021 0.000 0.966 323 T CB -0.031 68.831 68.868 -0.011 0.000 1.002 323 T HN 0.504 nan 8.240 nan 0.000 0.542 324 A N 2.497 125.299 122.820 -0.031 0.000 2.655 324 A HA 0.518 4.831 4.320 -0.013 0.000 0.297 324 A C 0.705 178.272 177.584 -0.029 0.000 1.461 324 A CA -0.692 51.328 52.037 -0.029 0.000 1.146 324 A CB -0.632 18.347 19.000 -0.035 0.000 1.108 324 A HN 0.554 nan 8.150 nan 0.000 0.550 325 S N 1.550 117.236 115.700 -0.023 0.000 2.549 325 S HA 0.640 5.102 4.470 -0.013 0.000 0.279 325 S C 0.569 175.155 174.600 -0.022 0.000 1.321 325 S CA 0.035 58.221 58.200 -0.024 0.000 1.054 325 S CB 0.872 64.060 63.200 -0.020 0.000 0.899 325 S HN 2.224 nan 8.310 nan 0.000 0.497 326 G N 0.740 109.524 108.800 -0.026 0.000 2.525 326 G HA2 0.193 4.146 3.960 -0.013 0.000 0.685 326 G HA3 0.193 4.146 3.960 -0.013 0.000 0.685 326 G C -1.632 173.255 174.900 -0.022 0.000 1.285 326 G CA -1.144 43.945 45.100 -0.019 0.000 0.849 326 G HN 0.629 nan 8.290 nan 0.000 0.653 327 L N 1.967 123.184 121.223 -0.010 0.000 2.331 327 L HA 0.731 5.063 4.340 -0.013 0.000 0.275 327 L C -1.468 175.421 176.870 0.031 0.000 1.022 327 L CA -1.540 53.297 54.840 -0.005 0.000 0.812 327 L CB 0.755 42.813 42.059 -0.001 0.000 1.257 327 L HN 0.583 nan 8.230 nan 0.000 0.435 328 P HA -0.045 nan 4.420 nan 0.000 0.269 328 P C -0.895 176.470 177.300 0.108 0.000 1.153 328 P CA 0.180 63.339 63.100 0.097 0.000 0.754 328 P CB 0.172 31.974 31.700 0.170 0.000 0.758 329 A N 4.024 126.902 122.820 0.098 0.000 2.371 329 A HA 0.435 4.747 4.320 -0.013 0.000 0.257 329 A C 0.493 178.136 177.584 0.098 0.000 1.089 329 A CA -0.159 51.926 52.037 0.079 0.000 0.794 329 A CB 0.381 19.417 19.000 0.060 0.000 1.029 329 A HN 0.526 nan 8.150 nan 0.000 0.488 330 R N 0.524 121.069 120.500 0.074 0.000 2.892 330 R HA 0.603 4.935 4.340 -0.013 0.000 0.265 330 R C -1.143 175.181 176.300 0.040 0.000 1.025 330 R CA -0.736 55.408 56.100 0.073 0.000 0.982 330 R CB 1.758 32.100 30.300 0.070 0.000 1.185 330 R HN 0.892 nan 8.270 nan 0.000 0.484 331 Q N 0.680 120.502 119.800 0.036 0.000 2.416 331 Q HA 0.421 4.754 4.340 -0.013 0.000 0.281 331 Q C -1.113 174.897 176.000 0.016 0.000 1.067 331 Q CA -1.117 54.695 55.803 0.014 0.000 0.809 331 Q CB 2.763 31.513 28.738 0.021 0.000 1.418 331 Q HN 0.367 nan 8.270 nan 0.000 0.411 332 R N 1.110 121.596 120.500 -0.023 0.000 2.340 332 R HA 0.576 4.908 4.340 -0.013 0.000 0.300 332 R C -1.329 175.047 176.300 0.128 0.000 1.069 332 R CA -0.123 55.967 56.100 -0.017 0.000 0.984 332 R CB 0.693 30.849 30.300 -0.239 0.000 1.003 332 R HN 0.509 nan 8.270 nan 0.000 0.459 333 V N 4.413 124.532 119.914 0.341 0.000 3.077 333 V HA 0.326 4.438 4.120 -0.013 0.000 0.299 333 V C -0.717 175.568 176.094 0.319 0.000 1.276 333 V CA -0.921 61.609 62.300 0.383 0.000 0.993 333 V CB 2.398 34.317 31.823 0.160 0.000 1.076 333 V HN 0.839 nan 8.190 nan 0.000 0.434 334 R N 1.270 121.820 120.500 0.082 0.000 2.390 334 R HA 0.518 4.850 4.340 -0.013 0.000 0.291 334 R C -0.430 175.808 176.300 -0.104 0.000 1.070 334 R CA -0.354 55.623 56.100 -0.206 0.000 1.014 334 R CB 1.105 31.151 30.300 -0.423 0.000 1.007 334 R HN 0.741 nan 8.270 nan 0.000 0.466 335 T N 2.106 116.593 114.554 -0.113 0.000 2.729 335 T HA 0.141 4.484 4.350 -0.013 0.000 0.296 335 T C 1.142 175.787 174.700 -0.092 0.000 0.928 335 T CA -0.429 61.624 62.100 -0.080 0.000 1.045 335 T CB 1.550 70.377 68.868 -0.068 0.000 0.902 335 T HN 0.701 nan 8.240 nan 0.000 0.500 336 A N 3.306 126.081 122.820 -0.075 0.000 2.206 336 A HA 0.273 4.585 4.320 -0.013 0.000 0.211 336 A C 1.318 178.865 177.584 -0.063 0.000 1.158 336 A CA 0.166 52.161 52.037 -0.071 0.000 0.761 336 A CB 0.109 19.073 19.000 -0.059 0.000 0.801 336 A HN 0.607 nan 8.150 nan 0.000 0.473 337 S N -1.161 114.502 115.700 -0.061 0.000 2.607 337 S HA 0.545 5.008 4.470 -0.013 0.000 0.303 337 S C -0.126 174.440 174.600 -0.056 0.000 1.086 337 S CA -0.687 57.479 58.200 -0.056 0.000 0.995 337 S CB 1.432 64.600 63.200 -0.053 0.000 1.084 337 S HN 0.494 nan 8.310 nan 0.000 0.507 338 R N 1.593 122.062 120.500 -0.052 0.000 2.297 338 R HA 0.516 4.848 4.340 -0.013 0.000 0.308 338 R C -1.299 174.972 176.300 -0.049 0.000 1.029 338 R CA -0.256 55.814 56.100 -0.050 0.000 0.929 338 R CB 0.333 30.605 30.300 -0.047 0.000 1.046 338 R HN 0.493 nan 8.270 nan 0.000 0.461 339 L N 4.222 125.417 121.223 -0.046 0.000 2.349 339 L HA 0.433 4.765 4.340 -0.013 0.000 0.278 339 L C -0.305 176.540 176.870 -0.042 0.000 0.996 339 L CA -0.822 53.991 54.840 -0.045 0.000 0.825 339 L CB 1.940 43.975 42.059 -0.040 0.000 1.243 339 L HN 0.405 nan 8.230 nan 0.000 0.412 340 K N 3.323 123.695 120.400 -0.047 0.000 2.363 340 K HA 0.232 4.544 4.320 -0.013 0.000 0.289 340 K C -0.413 176.168 176.600 -0.032 0.000 1.063 340 K CA 0.015 56.276 56.287 -0.042 0.000 0.967 340 K CB 0.573 33.039 32.500 -0.055 0.000 0.987 340 K HN 0.300 nan 8.250 nan 0.000 0.473 341 K N 1.654 122.038 120.400 -0.027 0.000 2.468 341 K HA 0.276 4.588 4.320 -0.013 0.000 0.252 341 K C -1.291 175.299 176.600 -0.016 0.000 0.932 341 K CA -0.456 55.818 56.287 -0.021 0.000 0.794 341 K CB 1.777 34.261 32.500 -0.027 0.000 1.241 341 K HN 0.263 nan 8.250 nan 0.000 0.428 342 T N 5.998 120.547 114.554 -0.010 0.000 2.767 342 T HA 0.419 4.761 4.350 -0.013 0.000 0.284 342 T C -2.563 172.132 174.700 -0.008 0.000 0.973 342 T CA -1.492 60.605 62.100 -0.005 0.000 0.996 342 T CB 1.251 70.121 68.868 0.004 0.000 0.927 342 T HN 0.466 nan 8.240 nan 0.000 0.456 343 P HA 0.363 nan 4.420 nan 0.000 0.268 343 P C 0.977 178.274 177.300 -0.005 0.000 1.204 343 P CA 0.444 63.538 63.100 -0.010 0.000 0.768 343 P CB 0.660 32.354 31.700 -0.009 0.000 0.842 344 G N 2.378 111.175 108.800 -0.006 0.000 2.797 344 G HA2 -0.113 3.839 3.960 -0.013 0.000 0.195 344 G HA3 -0.113 3.839 3.960 -0.013 0.000 0.195 344 G C -0.038 174.863 174.900 0.003 0.000 1.026 344 G CA -0.484 44.616 45.100 0.000 0.000 0.759 344 G HN 0.524 nan 8.290 nan 0.000 0.475 345 R N -0.199 120.302 120.500 0.002 0.000 2.750 345 R HA 0.611 4.943 4.340 -0.013 0.000 0.281 345 R C -1.100 175.192 176.300 -0.013 0.000 0.972 345 R CA -0.985 55.121 56.100 0.010 0.000 0.912 345 R CB 2.383 32.702 30.300 0.031 0.000 1.187 345 R HN 0.226 nan 8.270 nan 0.000 0.464 346 L N 2.868 124.082 121.223 -0.014 0.000 2.401 346 L HA 0.138 4.470 4.340 -0.013 0.000 0.283 346 L C -0.422 176.372 176.870 -0.127 0.000 1.151 346 L CA 0.111 54.896 54.840 -0.092 0.000 0.942 346 L CB -0.293 41.718 42.059 -0.079 0.000 1.283 346 L HN 0.379 nan 8.230 nan 0.000 0.442 347 D N 3.952 124.268 120.400 -0.140 0.000 2.343 347 D HA 0.055 4.687 4.640 -0.013 0.000 0.255 347 D C -0.783 175.417 176.300 -0.166 0.000 1.187 347 D CA 0.151 54.112 54.000 -0.066 0.000 0.875 347 D CB 0.290 41.070 40.800 -0.033 0.000 1.136 347 D HN 0.331 nan 8.370 nan 0.000 0.469 348 F N 3.423 123.352 119.950 -0.035 0.000 2.359 348 F HA 0.196 4.715 4.527 -0.013 0.000 0.355 348 F C 1.138 176.985 175.800 0.079 0.000 1.132 348 F CA -0.637 57.334 58.000 -0.048 0.000 1.246 348 F CB 0.363 39.195 39.000 -0.280 0.000 1.569 348 F HN 0.094 nan 8.300 nan 0.000 0.561 349 Q N 1.563 121.474 119.800 0.186 0.000 2.368 349 Q HA 0.439 4.771 4.340 -0.013 0.000 0.237 349 Q C -0.049 176.065 176.000 0.190 0.000 0.987 349 Q CA -0.635 55.247 55.803 0.131 0.000 0.896 349 Q CB 1.163 29.923 28.738 0.038 0.000 1.241 349 Q HN 0.445 nan 8.270 nan 0.000 0.485 350 R N -0.304 120.215 120.500 0.032 0.000 2.428 350 R HA 0.672 5.004 4.340 -0.013 0.000 0.294 350 R C -0.175 176.042 176.300 -0.139 0.000 1.000 350 R CA -0.053 55.990 56.100 -0.096 0.000 0.960 350 R CB 1.588 31.750 30.300 -0.230 0.000 1.076 350 R HN 0.756 nan 8.270 nan 0.000 0.475 351 G N -0.195 108.469 108.800 -0.228 0.000 2.788 351 G HA2 0.514 4.466 3.960 -0.013 0.000 0.293 351 G HA3 0.514 4.466 3.960 -0.013 0.000 0.293 351 G C -1.635 173.109 174.900 -0.260 0.000 1.392 351 G CA -0.556 44.427 45.100 -0.195 0.000 0.810 351 G HN 0.342 nan 8.290 nan 0.000 0.508 352 V N 0.917 120.723 119.914 -0.179 0.000 2.325 352 V HA 0.344 4.456 4.120 -0.013 0.000 0.280 352 V C -0.483 175.537 176.094 -0.123 0.000 1.016 352 V CA -0.547 61.656 62.300 -0.163 0.000 0.818 352 V CB 0.984 32.739 31.823 -0.113 0.000 1.019 352 V HN 0.591 nan 8.190 nan 0.000 0.434 353 L N 5.922 127.063 121.223 -0.137 0.000 2.361 353 L HA 0.490 4.822 4.340 -0.013 0.000 0.278 353 L C 0.143 176.976 176.870 -0.061 0.000 1.113 353 L CA 0.941 55.728 54.840 -0.087 0.000 0.849 353 L CB 0.610 42.616 42.059 -0.089 0.000 1.155 353 L HN 0.886 nan 8.230 nan 0.000 0.452 354 Q N 4.915 124.690 119.800 -0.041 0.000 2.522 354 Q HA 0.442 4.775 4.340 -0.013 0.000 0.285 354 Q C -1.246 174.744 176.000 -0.017 0.000 0.982 354 Q CA -1.044 54.742 55.803 -0.028 0.000 0.805 354 Q CB 1.324 30.044 28.738 -0.031 0.000 1.457 354 Q HN 0.539 nan 8.270 nan 0.000 0.394 355 R N 1.768 122.261 120.500 -0.010 0.000 2.491 355 R HA 0.176 4.508 4.340 -0.013 0.000 0.283 355 R C 0.158 176.453 176.300 -0.008 0.000 1.072 355 R CA 0.022 56.119 56.100 -0.004 0.000 1.048 355 R CB 0.337 30.636 30.300 -0.001 0.000 0.983 355 R HN 0.714 nan 8.270 nan 0.000 0.450 356 N N 1.588 120.283 118.700 -0.007 0.000 2.476 356 N HA 0.131 4.864 4.740 -0.013 0.000 0.287 356 N C 0.645 176.150 175.510 -0.008 0.000 1.262 356 N CA -0.205 52.838 53.050 -0.012 0.000 0.980 356 N CB 0.126 38.603 38.487 -0.016 0.000 1.163 356 N HN 0.437 nan 8.380 nan 0.000 0.592 357 A N -0.701 122.113 122.820 -0.010 0.000 1.940 357 A HA -0.173 4.139 4.320 -0.013 0.000 0.219 357 A C 1.167 178.748 177.584 -0.004 0.000 1.176 357 A CA 1.753 53.785 52.037 -0.008 0.000 0.631 357 A CB -0.794 18.200 19.000 -0.010 0.000 0.814 357 A HN 0.703 nan 8.150 nan 0.000 0.446 358 D N -1.640 118.758 120.400 -0.004 0.000 2.363 358 D HA 0.238 4.870 4.640 -0.013 0.000 0.220 358 D C 1.496 177.799 176.300 0.006 0.000 0.994 358 D CA 1.229 55.229 54.000 0.001 0.000 0.890 358 D CB 0.038 40.838 40.800 0.001 0.000 0.906 358 D HN 0.623 nan 8.370 nan 0.000 0.530 359 G N 0.677 109.480 108.800 0.005 0.000 2.195 359 G HA2 -0.279 3.673 3.960 -0.013 0.000 0.246 359 G HA3 -0.279 3.673 3.960 -0.013 0.000 0.246 359 G C 0.181 175.090 174.900 0.015 0.000 0.984 359 G CA -0.100 45.005 45.100 0.009 0.000 0.633 359 G HN 0.387 nan 8.290 nan 0.000 0.525 360 E N -0.165 120.045 120.200 0.017 0.000 2.390 360 E HA 0.514 4.857 4.350 -0.013 0.000 0.261 360 E C -0.119 176.495 176.600 0.024 0.000 1.076 360 E CA -0.658 55.760 56.400 0.030 0.000 0.905 360 E CB 1.140 30.862 29.700 0.036 0.000 0.984 360 E HN 0.109 nan 8.360 nan 0.000 0.427 361 L N 2.686 123.932 121.223 0.038 0.000 2.312 361 L HA 0.223 4.555 4.340 -0.013 0.000 0.281 361 L C -0.337 176.550 176.870 0.029 0.000 1.070 361 L CA 0.315 55.172 54.840 0.029 0.000 0.805 361 L CB 0.644 42.724 42.059 0.036 0.000 1.174 361 L HN 0.584 nan 8.230 nan 0.000 0.434 362 E N 2.779 122.981 120.200 0.003 0.000 2.366 362 E HA 0.641 4.984 4.350 -0.013 0.000 0.278 362 E C -1.654 174.928 176.600 -0.029 0.000 0.923 362 E CA -1.042 55.351 56.400 -0.012 0.000 0.761 362 E CB 1.588 31.270 29.700 -0.031 0.000 1.231 362 E HN 0.163 nan 8.360 nan 0.000 0.443 363 V N 0.793 120.687 119.914 -0.034 0.000 2.472 363 V HA 0.597 4.709 4.120 -0.013 0.000 0.290 363 V C -0.229 175.830 176.094 -0.058 0.000 1.037 363 V CA -0.564 61.705 62.300 -0.052 0.000 0.908 363 V CB 1.342 33.137 31.823 -0.046 0.000 0.985 363 V HN 0.811 nan 8.190 nan 0.000 0.454 364 T N 1.940 116.452 114.554 -0.069 0.000 2.863 364 T HA 0.364 4.707 4.350 -0.013 0.000 0.285 364 T C 0.048 174.703 174.700 -0.075 0.000 1.009 364 T CA -0.315 61.745 62.100 -0.065 0.000 0.989 364 T CB 1.686 70.517 68.868 -0.060 0.000 1.004 364 T HN 0.856 nan 8.240 nan 0.000 0.455 365 T N 1.550 116.065 114.554 -0.066 0.000 2.932 365 T HA 0.122 4.464 4.350 -0.013 0.000 0.312 365 T C 1.795 176.452 174.700 -0.072 0.000 1.071 365 T CA 0.424 62.483 62.100 -0.069 0.000 1.128 365 T CB 0.381 69.214 68.868 -0.058 0.000 0.984 365 T HN 0.830 nan 8.240 nan 0.000 0.549 366 T N 1.457 115.960 114.554 -0.086 0.000 3.035 366 T HA 0.392 4.734 4.350 -0.013 0.000 0.268 366 T C 1.226 175.896 174.700 -0.050 0.000 1.109 366 T CA 0.725 62.775 62.100 -0.083 0.000 1.119 366 T CB -0.348 68.449 68.868 -0.119 0.000 0.900 366 T HN 1.176 nan 8.240 nan 0.000 0.503 367 G N 0.323 109.101 108.800 -0.036 0.000 2.225 367 G HA2 -0.016 3.936 3.960 -0.013 0.000 0.203 367 G HA3 -0.016 3.936 3.960 -0.013 0.000 0.203 367 G C -0.855 174.060 174.900 0.025 0.000 1.335 367 G CA -0.527 44.572 45.100 -0.001 0.000 1.183 367 G HN 0.644 nan 8.290 nan 0.000 0.488 368 H N 1.761 120.828 119.070 -0.005 0.000 3.145 368 H HA 0.288 4.836 4.556 -0.013 0.000 0.288 368 H C 1.253 176.586 175.328 0.010 0.000 0.969 368 H CA 0.297 56.363 56.048 0.031 0.000 1.444 368 H CB 0.753 30.576 29.762 0.101 0.000 1.500 368 H HN 0.311 nan 8.280 nan 0.000 0.552 369 Q N 3.750 123.655 119.800 0.175 0.000 2.322 369 Q HA 0.111 4.443 4.340 -0.013 0.000 0.203 369 Q C 0.879 177.005 176.000 0.211 0.000 0.923 369 Q CA 0.279 56.153 55.803 0.119 0.000 0.949 369 Q CB 0.401 29.162 28.738 0.039 0.000 1.039 369 Q HN 0.764 nan 8.270 nan 0.000 0.496 370 G N 0.861 109.942 108.800 0.468 0.000 2.569 370 G HA2 0.172 4.125 3.960 -0.013 0.000 0.249 370 G HA3 0.172 4.125 3.960 -0.013 0.000 0.249 370 G C 0.626 175.673 174.900 0.244 0.000 1.216 370 G CA -0.053 45.283 45.100 0.393 0.000 0.845 370 G HN 0.265 nan 8.290 nan 0.000 0.568 371 S N -0.421 115.422 115.700 0.239 0.000 2.597 371 S HA -0.006 4.456 4.470 -0.013 0.000 0.224 371 S C 1.373 176.071 174.600 0.164 0.000 0.955 371 S CA 0.327 58.623 58.200 0.160 0.000 0.933 371 S CB -0.287 63.007 63.200 0.158 0.000 0.788 371 S HN 0.837 nan 8.310 nan 0.000 0.488 372 H N 1.653 120.746 119.070 0.038 0.000 2.539 372 H HA 0.392 4.941 4.556 -0.013 0.000 0.267 372 H C 0.437 175.795 175.328 0.050 0.000 0.982 372 H CA -0.214 55.852 56.048 0.031 0.000 1.146 372 H CB -0.540 29.207 29.762 -0.024 0.000 1.382 372 H HN 0.693 nan 8.280 nan 0.000 0.577 373 I N -4.781 115.539 120.570 -0.417 0.000 2.722 373 I HA 0.298 4.460 4.170 -0.013 0.000 0.295 373 I C -0.473 175.634 176.117 -0.017 0.000 1.161 373 I CA -1.247 59.895 61.300 -0.265 0.000 1.032 373 I CB 1.736 39.454 38.000 -0.470 0.000 1.244 373 I HN -0.199 nan 8.210 nan 0.000 0.421 374 F N 2.350 122.274 119.950 -0.042 0.000 2.731 374 F HA 0.043 4.562 4.527 -0.013 0.000 0.298 374 F C 2.352 178.191 175.800 0.064 0.000 1.106 374 F CA 1.023 59.076 58.000 0.088 0.000 1.329 374 F CB 0.525 39.594 39.000 0.115 0.000 1.100 374 F HN 0.682 nan 8.300 nan 0.000 0.592 375 S N -0.462 115.299 115.700 0.102 0.000 2.441 375 S HA -0.283 4.179 4.470 -0.013 0.000 0.242 375 S C 2.107 176.661 174.600 -0.077 0.000 1.018 375 S CA 1.421 59.642 58.200 0.035 0.000 0.988 375 S CB -1.294 61.912 63.200 0.010 0.000 0.778 375 S HN 0.486 nan 8.310 nan 0.000 0.498 376 S N 1.044 116.605 115.700 -0.232 0.000 2.447 376 S HA 0.033 4.495 4.470 -0.013 0.000 0.233 376 S C 1.409 175.750 174.600 -0.432 0.000 1.006 376 S CA 0.637 58.630 58.200 -0.345 0.000 0.957 376 S CB -0.947 61.990 63.200 -0.438 0.000 0.773 376 S HN 0.576 nan 8.310 nan 0.000 0.507 377 F N 1.544 121.272 119.950 -0.369 0.000 2.293 377 F HA 0.089 4.608 4.527 -0.013 0.000 0.297 377 F C 3.028 178.713 175.800 -0.191 0.000 1.089 377 F CA 0.893 58.582 58.000 -0.519 0.000 1.377 377 F CB -0.364 38.050 39.000 -0.976 0.000 1.051 377 F HN 0.283 nan 8.300 nan 0.000 0.511 378 S N 0.337 116.084 115.700 0.078 0.000 2.348 378 S HA -0.056 4.407 4.470 -0.013 0.000 0.219 378 S C 2.063 176.704 174.600 0.069 0.000 1.033 378 S CA 0.783 59.047 58.200 0.106 0.000 0.974 378 S CB -0.424 62.841 63.200 0.108 0.000 0.868 378 S HN 0.236 nan 8.310 nan 0.000 0.459 379 L N 1.205 122.439 121.223 0.019 0.000 2.079 379 L HA 0.048 4.381 4.340 -0.013 0.000 0.210 379 L C 1.721 178.568 176.870 -0.038 0.000 1.081 379 L CA 0.710 55.542 54.840 -0.013 0.000 0.752 379 L CB -0.972 41.064 42.059 -0.039 0.000 0.896 379 L HN 0.344 nan 8.230 nan 0.000 0.433 380 G N -0.378 108.396 108.800 -0.044 0.000 2.588 380 G HA2 0.171 4.123 3.960 -0.013 0.000 0.278 380 G HA3 0.171 4.123 3.960 -0.013 0.000 0.278 380 G C 0.370 175.171 174.900 -0.165 0.000 1.307 380 G CA 0.312 45.317 45.100 -0.159 0.000 1.016 380 G HN 0.407 nan 8.290 nan 0.000 0.503 381 N N -3.026 115.283 118.700 -0.652 0.000 1.899 381 N HA 0.036 4.769 4.740 -0.013 0.000 0.223 381 N C -0.038 174.756 175.510 -1.194 0.000 1.411 381 N CA 0.501 53.184 53.050 -0.611 0.000 0.737 381 N CB -0.431 37.925 38.487 -0.219 0.000 1.100 381 N HN 0.940 nan 8.380 nan 0.000 0.527 382 C N -1.755 116.467 119.300 -1.797 0.000 3.320 382 C HA 0.815 5.268 4.460 -0.013 0.000 0.335 382 C C -1.458 172.888 174.990 -1.073 0.000 1.430 382 C CA -1.385 56.901 59.018 -1.220 0.000 1.271 382 C CB 0.318 27.789 27.740 -0.448 0.000 1.609 382 C HN 0.031 nan 8.230 nan 0.000 0.457 383 F N 1.038 120.903 119.950 -0.141 0.000 2.469 383 F HA 0.671 5.191 4.527 -0.013 0.000 0.332 383 F C 0.353 176.157 175.800 0.007 0.000 1.103 383 F CA -0.795 57.248 58.000 0.071 0.000 0.979 383 F CB 1.585 40.771 39.000 0.309 0.000 1.137 383 F HN 0.422 nan 8.300 nan 0.000 0.463 384 I N 4.626 125.307 120.570 0.185 0.000 2.287 384 I HA 0.161 4.324 4.170 -0.013 0.000 0.290 384 I C -0.615 175.512 176.117 0.017 0.000 1.069 384 I CA -0.590 60.751 61.300 0.067 0.000 1.237 384 I CB 0.609 38.616 38.000 0.012 0.000 1.418 384 I HN 0.220 nan 8.210 nan 0.000 0.481 385 V N 7.837 127.725 119.914 -0.042 0.000 2.287 385 V HA 0.153 4.265 4.120 -0.013 0.000 0.246 385 V C 0.470 176.417 176.094 -0.244 0.000 1.165 385 V CA -0.224 61.904 62.300 -0.287 0.000 1.088 385 V CB -0.379 31.253 31.823 -0.318 0.000 1.242 385 V HN 0.502 nan 8.190 nan 0.000 0.497 386 L N 3.861 124.946 121.223 -0.229 0.000 2.313 386 L HA 0.347 4.679 4.340 -0.013 0.000 0.282 386 L C 0.666 177.434 176.870 -0.170 0.000 1.092 386 L CA -0.483 54.269 54.840 -0.147 0.000 0.831 386 L CB 0.615 42.617 42.059 -0.096 0.000 1.159 386 L HN 0.509 nan 8.230 nan 0.000 0.442 387 E N 1.922 122.051 120.200 -0.120 0.000 2.436 387 E HA -0.029 4.313 4.350 -0.013 0.000 0.262 387 E C 0.928 177.477 176.600 -0.086 0.000 1.063 387 E CA 0.101 56.438 56.400 -0.104 0.000 0.944 387 E CB 0.543 30.204 29.700 -0.065 0.000 0.950 387 E HN 0.352 nan 8.360 nan 0.000 0.444 388 R N 1.599 122.054 120.500 -0.076 0.000 2.097 388 R HA -0.218 4.114 4.340 -0.013 0.000 0.236 388 R C 0.793 177.071 176.300 -0.037 0.000 1.135 388 R CA 2.055 58.123 56.100 -0.053 0.000 0.934 388 R CB -0.033 30.242 30.300 -0.042 0.000 0.846 388 R HN 0.556 nan 8.270 nan 0.000 0.431 389 D N -0.130 120.251 120.400 -0.033 0.000 2.312 389 D HA -0.082 4.550 4.640 -0.013 0.000 0.211 389 D C 0.582 176.869 176.300 -0.022 0.000 0.964 389 D CA 0.463 54.449 54.000 -0.023 0.000 0.877 389 D CB -0.188 40.600 40.800 -0.020 0.000 0.924 389 D HN 0.144 nan 8.370 nan 0.000 0.515 390 R N 0.359 120.842 120.500 -0.028 0.000 2.643 390 R HA 0.333 4.665 4.340 -0.013 0.000 0.270 390 R C 0.812 177.099 176.300 -0.022 0.000 1.061 390 R CA 0.036 56.121 56.100 -0.024 0.000 1.107 390 R CB 0.606 30.888 30.300 -0.030 0.000 0.999 390 R HN 0.028 nan 8.270 nan 0.000 0.460 391 G N 1.837 110.625 108.800 -0.019 0.000 2.782 391 G HA2 0.108 4.060 3.960 -0.013 0.000 0.201 391 G HA3 0.108 4.060 3.960 -0.013 0.000 0.201 391 G C -0.633 174.255 174.900 -0.021 0.000 1.374 391 G CA -0.701 44.388 45.100 -0.018 0.000 1.039 391 G HN 0.620 nan 8.290 nan 0.000 0.576 392 N N -1.019 117.668 118.700 -0.021 0.000 2.381 392 N HA 0.242 4.974 4.740 -0.013 0.000 0.241 392 N C -0.498 174.996 175.510 -0.027 0.000 1.279 392 N CA 0.000 53.035 53.050 -0.026 0.000 0.896 392 N CB 1.451 39.922 38.487 -0.026 0.000 1.118 392 N HN 0.081 nan 8.380 nan 0.000 0.438 393 V N 1.575 121.470 119.914 -0.032 0.000 2.487 393 V HA 0.210 4.322 4.120 -0.013 0.000 0.298 393 V C -0.087 175.981 176.094 -0.043 0.000 1.028 393 V CA -0.735 61.544 62.300 -0.035 0.000 0.860 393 V CB 1.778 33.581 31.823 -0.034 0.000 0.991 393 V HN 0.472 nan 8.190 nan 0.000 0.427 394 E N 2.612 122.783 120.200 -0.048 0.000 2.191 394 E HA 0.373 4.715 4.350 -0.013 0.000 0.278 394 E C -0.461 176.096 176.600 -0.072 0.000 0.972 394 E CA -0.668 55.699 56.400 -0.055 0.000 0.804 394 E CB 2.155 31.824 29.700 -0.051 0.000 1.110 394 E HN 0.420 nan 8.360 nan 0.000 0.394 395 V N 2.523 122.394 119.914 -0.072 0.000 2.703 395 V HA 0.039 4.151 4.120 -0.013 0.000 0.300 395 V C 1.521 177.544 176.094 -0.119 0.000 1.063 395 V CA 1.983 64.230 62.300 -0.088 0.000 1.240 395 V CB -0.455 31.323 31.823 -0.075 0.000 0.845 395 V HN 1.041 nan 8.190 nan 0.000 0.476 396 G N 3.263 111.967 108.800 -0.160 0.000 2.201 396 G HA2 -0.182 3.770 3.960 -0.013 0.000 0.212 396 G HA3 -0.182 3.770 3.960 -0.013 0.000 0.212 396 G C 0.063 174.759 174.900 -0.339 0.000 0.994 396 G CA 0.099 45.054 45.100 -0.241 0.000 0.644 396 G HN 0.663 nan 8.290 nan 0.000 0.508 397 E N -0.508 119.552 120.200 -0.233 0.000 2.390 397 E HA 0.359 4.702 4.350 -0.013 0.000 0.261 397 E C -0.039 176.443 176.600 -0.198 0.000 1.076 397 E CA -0.757 55.522 56.400 -0.201 0.000 0.905 397 E CB 0.454 30.106 29.700 -0.079 0.000 0.984 397 E HN 0.374 nan 8.360 nan 0.000 0.427 398 W N 1.987 123.272 121.300 -0.025 0.000 2.190 398 W HA 0.338 4.991 4.660 -0.013 0.000 0.330 398 W C -0.292 176.209 176.519 -0.030 0.000 1.299 398 W CA -0.331 56.999 57.345 -0.025 0.000 1.215 398 W CB 0.735 30.182 29.460 -0.022 0.000 1.147 398 W HN 0.140 nan 8.180 nan 0.000 0.563 399 V N 3.002 123.095 119.914 0.298 0.000 3.120 399 V HA 0.181 4.293 4.120 -0.013 0.000 0.303 399 V C -0.750 175.406 176.094 0.103 0.000 1.238 399 V CA -1.124 61.255 62.300 0.132 0.000 1.008 399 V CB 2.336 34.201 31.823 0.070 0.000 1.064 399 V HN 0.339 nan 8.190 nan 0.000 0.434 400 E N 2.836 123.062 120.200 0.044 0.000 2.200 400 E HA 0.459 4.801 4.350 -0.013 0.000 0.283 400 E C -0.704 175.919 176.600 0.038 0.000 1.015 400 E CA -0.193 56.225 56.400 0.029 0.000 0.819 400 E CB 1.891 31.590 29.700 -0.003 0.000 1.081 400 E HN 0.581 nan 8.360 nan 0.000 0.397 401 V N -0.010 119.936 119.914 0.054 0.000 2.495 401 V HA 0.429 4.541 4.120 -0.013 0.000 0.298 401 V C 0.015 176.174 176.094 0.108 0.000 1.031 401 V CA -0.908 61.433 62.300 0.067 0.000 0.871 401 V CB 1.981 33.821 31.823 0.028 0.000 0.988 401 V HN 0.586 nan 8.190 nan 0.000 0.432 402 E N 5.220 125.535 120.200 0.192 0.000 2.063 402 E HA 0.439 4.781 4.350 -0.013 0.000 0.265 402 E C -2.673 174.077 176.600 0.249 0.000 0.919 402 E CA -2.291 54.273 56.400 0.274 0.000 0.756 402 E CB 1.779 31.745 29.700 0.443 0.000 1.120 402 E HN 0.590 nan 8.360 nan 0.000 0.414 403 P HA -0.060 nan 4.420 nan 0.000 0.264 403 P C -0.527 176.939 177.300 0.276 0.000 1.183 403 P CA 0.128 63.279 63.100 0.085 0.000 0.763 403 P CB 0.160 31.911 31.700 0.087 0.000 0.807 404 F N 2.623 122.618 119.950 0.075 0.000 2.602 404 F HA 0.010 4.529 4.527 -0.013 0.000 0.367 404 F C 1.621 177.568 175.800 0.245 0.000 1.126 404 F CA -0.216 57.889 58.000 0.174 0.000 1.321 404 F CB -0.552 38.528 39.000 0.133 0.000 1.094 404 F HN 0.381 nan 8.300 nan 0.000 0.594 405 N N 1.702 120.720 118.700 0.529 0.000 2.452 405 N HA 0.349 5.081 4.740 -0.013 0.000 0.296 405 N C 0.738 176.374 175.510 0.210 0.000 1.304 405 N CA 0.056 53.284 53.050 0.296 0.000 0.956 405 N CB -0.314 38.297 38.487 0.206 0.000 1.106 405 N HN 0.422 nan 8.380 nan 0.000 0.555 406 A N -0.596 122.287 122.820 0.106 0.000 2.067 406 A HA 0.031 4.343 4.320 -0.013 0.000 0.219 406 A C 2.221 179.804 177.584 -0.002 0.000 1.158 406 A CA 0.752 52.828 52.037 0.065 0.000 0.661 406 A CB -1.091 17.934 19.000 0.042 0.000 0.801 406 A HN 0.597 nan 8.150 nan 0.000 0.452 407 L N -2.222 118.937 121.223 -0.106 0.000 2.263 407 L HA -0.171 4.161 4.340 -0.013 0.000 0.216 407 L C 1.571 178.167 176.870 -0.456 0.000 1.111 407 L CA 1.272 55.917 54.840 -0.324 0.000 0.773 407 L CB -0.451 41.311 42.059 -0.496 0.000 0.906 407 L HN 0.512 nan 8.230 nan 0.000 0.439 408 F N -1.216 118.765 119.950 0.052 0.000 2.746 408 F HA 0.437 4.957 4.527 -0.013 0.000 0.320 408 F C 1.129 176.990 175.800 0.101 0.000 1.097 408 F CA 0.043 58.041 58.000 -0.002 0.000 1.195 408 F CB 1.040 39.882 39.000 -0.263 0.000 1.056 408 F HN 0.060 nan 8.300 nan 0.000 0.562 409 G N 0.000 108.943 108.800 0.239 0.000 5.446 409 G HA2 0.000 3.952 3.960 -0.013 0.000 0.244 409 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 409 G CA 0.000 45.214 45.100 0.190 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925