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 4req_1_A DATA FIRST_RESID 3 DATA SEQUENCE TLPRFDSVDL GNAPVPADAA RRFEELAAKA GTGEAWETAE QIPVGTLFNE DATA SEQUENCE DVYKDMDWLD TYAGIPPFVH GPYATMYAFR PWTIRQYAGF STAKESNAFY DATA SEQUENCE RRNLAAGQKG LSVAFDLPTH RGYDSDNPRV AGDVGMAGVA IDSIYDMREL DATA SEQUENCE FAGIPLDQMS VSMTMNGAVL PILALYVVTA EEQGVKPEQL AGTIQNDILK DATA SEQUENCE EFMVRNTYIY PPQPSMRIIS EIFAYTSANM PKWNSISISG YHMQEAGATA DATA SEQUENCE DIEMAYTLAD GVDYIRAGES VGLNVDQFAP RLSFFWGIGM NFFMEVAKLR DATA SEQUENCE AARMLWAKLV HQFGPKNPKS MSLRTHSQTS GWSLTAQDVY NNVVRTCIEA DATA SEQUENCE MAATQGHTQS LHTNSLDEAI ALPTDFSARI ARNTQLFLQQ ESGTTRVIDP DATA SEQUENCE WSGSAYVEEL TWDLARKAWG HIQEVEKVGG MAKAIEKGIP KMRIEEAAAR DATA SEQUENCE TQARIDSGRQ PLIGVNKYRL EHEPPLDVLK VDNSTVLAEQ KAKLVKLRAE DATA SEQUENCE RDPEKVKAAL DKITWAAGNP DDKDPDRNLL KLCIDAGRAM ATVGEMSDAL DATA SEQUENCE EKVFGRYTAQ IRTISGVYSK EVKNTPEVEE ARELVEEFEQ AEGRRPRILL DATA SEQUENCE AKMGQDGHDR GQKVIATAYA DLGFDVDVGP LFQTPEETAR QAVEADVHVV DATA SEQUENCE GVSSLAGGHL TLVPALRKEL DKLGRPDILI TVGGVIPEQD FDELRKDGAV DATA SEQUENCE EIYTPGTVIP ESAISLVKKL RASLDA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.678 174.700 -0.036 0.000 1.109 3 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 3 T CB 0.000 68.839 68.868 -0.049 0.000 0.612 4 L N 2.629 123.834 121.223 -0.031 0.000 3.571 4 L HA -0.052 4.288 4.340 -0.000 0.000 0.630 4 L C -2.377 174.458 176.870 -0.059 0.000 1.265 4 L CA 0.036 54.862 54.840 -0.022 0.000 0.998 4 L CB -1.440 40.615 42.059 -0.007 0.000 1.574 4 L HN 0.471 nan 8.230 nan 0.000 0.867 5 P HA 0.146 nan 4.420 nan 0.000 0.266 5 P C 0.054 177.178 177.300 -0.293 0.000 1.195 5 P CA 0.167 63.102 63.100 -0.275 0.000 0.768 5 P CB 0.498 31.901 31.700 -0.495 0.000 0.838 6 R N 2.220 122.537 120.500 -0.305 0.000 2.310 6 R HA 0.268 4.608 4.340 -0.000 0.000 0.324 6 R C 0.413 176.553 176.300 -0.267 0.000 0.955 6 R CA -0.576 55.427 56.100 -0.162 0.000 0.830 6 R CB 0.181 30.441 30.300 -0.067 0.000 1.154 6 R HN 0.457 nan 8.270 nan 0.000 0.458 7 F N 1.194 121.146 119.950 0.004 0.000 2.748 7 F HA -0.076 4.451 4.527 0.000 0.000 0.299 7 F C 1.954 177.756 175.800 0.004 0.000 1.154 7 F CA 0.567 58.569 58.000 0.004 0.000 1.446 7 F CB 0.177 39.179 39.000 0.004 0.000 1.112 7 F HN 0.505 nan 8.300 nan 0.000 0.584 8 D N -0.551 119.923 120.400 0.124 0.000 2.351 8 D HA -0.146 4.494 4.640 -0.000 0.000 0.216 8 D C 1.492 177.822 176.300 0.050 0.000 0.968 8 D CA 1.435 55.482 54.000 0.079 0.000 0.899 8 D CB -0.381 40.451 40.800 0.053 0.000 0.907 8 D HN 0.402 nan 8.370 nan 0.000 0.514 9 S N -0.523 115.194 115.700 0.029 0.000 2.526 9 S HA 0.191 4.661 4.470 -0.000 0.000 0.220 9 S C 0.741 175.352 174.600 0.018 0.000 1.017 9 S CA -0.552 57.656 58.200 0.012 0.000 0.930 9 S CB 0.304 63.496 63.200 -0.014 0.000 0.856 9 S HN 0.040 nan 8.310 nan 0.000 0.497 10 V N 3.761 123.701 119.914 0.043 0.000 2.530 10 V HA 0.314 4.434 4.120 -0.000 0.000 0.282 10 V C -0.264 175.889 176.094 0.099 0.000 1.048 10 V CA -0.603 61.740 62.300 0.071 0.000 0.997 10 V CB 0.765 32.674 31.823 0.143 0.000 0.987 10 V HN 0.317 nan 8.190 nan 0.000 0.477 11 D N 2.548 122.990 120.400 0.070 0.000 2.283 11 D HA 0.199 4.839 4.640 -0.000 0.000 0.248 11 D C 0.791 177.133 176.300 0.070 0.000 1.072 11 D CA -0.469 53.567 54.000 0.059 0.000 0.929 11 D CB 1.975 42.798 40.800 0.038 0.000 1.182 11 D HN 0.390 nan 8.370 nan 0.000 0.433 12 L N 1.585 122.840 121.223 0.052 0.000 2.072 12 L HA 0.111 4.451 4.340 -0.000 0.000 0.205 12 L C 0.977 177.869 176.870 0.036 0.000 1.079 12 L CA 2.144 57.009 54.840 0.043 0.000 0.752 12 L CB -0.705 41.368 42.059 0.024 0.000 0.906 12 L HN 0.739 nan 8.230 nan 0.000 0.436 13 G N -0.512 108.305 108.800 0.029 0.000 2.645 13 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.645 13 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.645 13 G C 0.003 174.914 174.900 0.018 0.000 1.304 13 G CA 0.040 45.155 45.100 0.024 0.000 0.885 13 G HN 0.426 nan 8.290 nan 0.000 0.526 14 N N 0.628 119.337 118.700 0.015 0.000 2.273 14 N HA 0.400 5.140 4.740 -0.000 0.000 0.231 14 N C 1.059 176.575 175.510 0.011 0.000 1.134 14 N CA 0.761 53.817 53.050 0.011 0.000 0.856 14 N CB -0.192 38.301 38.487 0.009 0.000 1.068 14 N HN 2.008 nan 8.380 nan 0.000 0.510 15 A N 1.920 124.747 122.820 0.013 0.000 2.203 15 A HA -0.142 4.178 4.320 -0.000 0.000 0.279 15 A C -2.148 175.442 177.584 0.010 0.000 1.396 15 A CA -0.256 51.788 52.037 0.012 0.000 0.747 15 A CB -1.400 17.605 19.000 0.010 0.000 1.151 15 A HN 0.388 nan 8.150 nan 0.000 0.345 16 P HA 0.404 nan 4.420 nan 0.000 0.271 16 P C -0.286 177.020 177.300 0.009 0.000 1.216 16 P CA -0.124 62.981 63.100 0.010 0.000 0.776 16 P CB 1.018 32.724 31.700 0.010 0.000 0.881 17 V N 5.277 125.195 119.914 0.007 0.000 2.350 17 V HA 0.228 4.348 4.120 -0.000 0.000 0.276 17 V C -1.587 174.511 176.094 0.007 0.000 1.028 17 V CA -1.374 60.929 62.300 0.005 0.000 0.860 17 V CB 0.510 32.333 31.823 -0.001 0.000 0.990 17 V HN 0.640 nan 8.190 nan 0.000 0.453 18 P HA 0.179 nan 4.420 nan 0.000 0.270 18 P C 0.722 178.028 177.300 0.010 0.000 1.223 18 P CA -0.262 62.845 63.100 0.011 0.000 0.785 18 P CB 0.859 32.567 31.700 0.015 0.000 0.923 19 A N 1.645 124.470 122.820 0.009 0.000 2.067 19 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 19 A C 1.222 178.812 177.584 0.011 0.000 1.158 19 A CA 1.631 53.673 52.037 0.008 0.000 0.661 19 A CB -0.819 18.184 19.000 0.006 0.000 0.801 19 A HN 0.683 nan 8.150 nan 0.000 0.452 20 D N -1.063 119.346 120.400 0.014 0.000 2.388 20 D HA 0.429 5.069 4.640 -0.000 0.000 0.221 20 D C 1.209 177.527 176.300 0.030 0.000 1.133 20 D CA 0.559 54.571 54.000 0.019 0.000 0.831 20 D CB -0.260 40.550 40.800 0.016 0.000 0.962 20 D HN 0.227 nan 8.370 nan 0.000 0.502 21 A N 1.338 124.176 122.820 0.030 0.000 1.851 21 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 21 A C 2.421 180.051 177.584 0.076 0.000 1.195 21 A CA 2.289 54.352 52.037 0.044 0.000 0.622 21 A CB -1.064 17.949 19.000 0.022 0.000 0.831 21 A HN 0.359 nan 8.150 nan 0.000 0.444 22 A N 0.856 123.711 122.820 0.058 0.000 1.859 22 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 22 A C 2.261 179.917 177.584 0.120 0.000 1.198 22 A CA 2.517 54.606 52.037 0.087 0.000 0.629 22 A CB -0.745 18.280 19.000 0.040 0.000 0.830 22 A HN 0.743 nan 8.150 nan 0.000 0.446 23 R N -0.855 119.684 120.500 0.065 0.000 2.096 23 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 23 R C 2.190 178.512 176.300 0.036 0.000 1.127 23 R CA 1.600 57.724 56.100 0.041 0.000 0.968 23 R CB -0.443 29.870 30.300 0.021 0.000 0.861 23 R HN 0.434 nan 8.270 nan 0.000 0.440 24 R N -0.166 120.363 120.500 0.049 0.000 2.092 24 R HA -0.088 4.252 4.340 -0.000 0.000 0.231 24 R C 2.091 178.422 176.300 0.051 0.000 1.119 24 R CA 1.692 57.815 56.100 0.039 0.000 0.970 24 R CB -0.409 29.919 30.300 0.046 0.000 0.864 24 R HN 0.260 nan 8.270 nan 0.000 0.440 25 F N 2.123 122.060 119.950 -0.021 0.000 2.075 25 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 25 F C 2.028 177.810 175.800 -0.031 0.000 1.113 25 F CA 1.516 59.500 58.000 -0.027 0.000 1.218 25 F CB -0.091 38.889 39.000 -0.033 0.000 0.984 25 F HN -0.102 nan 8.300 nan 0.000 0.472 26 E N 0.701 120.818 120.200 -0.139 0.000 2.058 26 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 26 E C 2.419 178.880 176.600 -0.233 0.000 0.997 26 E CA 1.823 58.089 56.400 -0.225 0.000 0.801 26 E CB -1.009 28.666 29.700 -0.042 0.000 0.746 26 E HN 0.720 nan 8.360 nan 0.000 0.450 27 E N 1.440 121.554 120.200 -0.143 0.000 2.077 27 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 27 E C 2.289 178.794 176.600 -0.158 0.000 0.989 27 E CA 1.239 57.568 56.400 -0.118 0.000 0.800 27 E CB -0.927 28.733 29.700 -0.067 0.000 0.746 27 E HN 0.222 nan 8.360 nan 0.000 0.452 28 L N -0.145 120.964 121.223 -0.191 0.000 2.042 28 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 28 L C 3.132 179.832 176.870 -0.283 0.000 1.076 28 L CA 1.244 55.966 54.840 -0.195 0.000 0.749 28 L CB -0.385 41.585 42.059 -0.149 0.000 0.893 28 L HN 0.461 nan 8.230 nan 0.000 0.432 29 A N -0.067 122.452 122.820 -0.501 0.000 1.902 29 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 29 A C 2.542 179.975 177.584 -0.253 0.000 1.181 29 A CA 1.691 53.444 52.037 -0.474 0.000 0.623 29 A CB -0.727 17.823 19.000 -0.749 0.000 0.818 29 A HN 0.395 nan 8.150 nan 0.000 0.443 30 A N -0.460 122.234 122.820 -0.211 0.000 1.877 30 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 30 A C 2.150 179.674 177.584 -0.101 0.000 1.186 30 A CA 1.930 53.889 52.037 -0.129 0.000 0.620 30 A CB -0.457 18.481 19.000 -0.104 0.000 0.822 30 A HN 0.496 nan 8.150 nan 0.000 0.443 31 K N -0.640 119.698 120.400 -0.103 0.000 2.148 31 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 31 K C 2.049 178.607 176.600 -0.069 0.000 1.050 31 K CA 0.932 57.173 56.287 -0.076 0.000 0.942 31 K CB -0.215 32.242 32.500 -0.072 0.000 0.724 31 K HN 0.445 nan 8.250 nan 0.000 0.446 32 A N -0.088 122.681 122.820 -0.085 0.000 2.066 32 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 32 A C 1.309 178.859 177.584 -0.056 0.000 1.157 32 A CA 1.287 53.284 52.037 -0.068 0.000 0.670 32 A CB -0.172 18.782 19.000 -0.077 0.000 0.804 32 A HN 0.452 nan 8.150 nan 0.000 0.453 33 G N -1.631 107.133 108.800 -0.060 0.000 2.135 33 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.183 33 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.183 33 G C 0.166 175.041 174.900 -0.042 0.000 1.004 33 G CA 0.043 45.117 45.100 -0.044 0.000 0.677 33 G HN 0.550 nan 8.290 nan 0.000 0.512 34 T N 1.476 115.996 114.554 -0.058 0.000 2.792 34 T HA 0.458 4.808 4.350 -0.000 0.000 0.286 34 T C 1.382 176.064 174.700 -0.030 0.000 0.970 34 T CA 0.934 63.006 62.100 -0.047 0.000 1.187 34 T CB 1.227 70.051 68.868 -0.074 0.000 0.915 34 T HN 0.950 nan 8.240 nan 0.000 0.529 35 G N 2.486 111.279 108.800 -0.010 0.000 2.773 35 G HA2 0.387 4.347 3.960 -0.000 0.000 0.186 35 G HA3 0.387 4.347 3.960 -0.000 0.000 0.186 35 G C -0.050 174.857 174.900 0.012 0.000 1.411 35 G CA -0.548 44.552 45.100 0.000 0.000 1.054 35 G HN 0.524 nan 8.290 nan 0.000 0.579 36 E N -0.056 120.159 120.200 0.025 0.000 2.392 36 E HA 0.409 4.759 4.350 -0.000 0.000 0.259 36 E C 0.672 177.311 176.600 0.065 0.000 1.108 36 E CA -0.244 56.177 56.400 0.035 0.000 0.916 36 E CB 1.231 30.952 29.700 0.035 0.000 0.989 36 E HN 0.519 nan 8.360 nan 0.000 0.432 37 A N 1.892 124.751 122.820 0.064 0.000 2.531 37 A HA -0.060 4.260 4.320 -0.000 0.000 0.236 37 A C -0.306 177.383 177.584 0.175 0.000 1.062 37 A CA -0.039 52.061 52.037 0.105 0.000 0.760 37 A CB -0.194 18.847 19.000 0.068 0.000 0.995 37 A HN 0.580 nan 8.150 nan 0.000 0.501 38 W N 2.462 123.784 121.300 0.037 0.000 2.308 38 W HA 0.410 5.070 4.660 -0.000 0.000 0.324 38 W C -0.084 176.469 176.519 0.057 0.000 1.387 38 W CA -0.330 57.044 57.345 0.047 0.000 1.250 38 W CB 0.221 29.717 29.460 0.059 0.000 1.257 38 W HN 0.686 nan 8.180 nan 0.000 0.554 39 E N 4.572 124.745 120.200 -0.045 0.000 2.081 39 E HA 0.254 4.604 4.350 -0.000 0.000 0.276 39 E C 0.249 176.581 176.600 -0.446 0.000 0.950 39 E CA -0.342 55.929 56.400 -0.215 0.000 0.776 39 E CB 0.602 30.270 29.700 -0.053 0.000 1.094 39 E HN 0.410 nan 8.360 nan 0.000 0.402 40 T N 0.966 115.121 114.554 -0.665 0.000 2.788 40 T HA 0.374 4.724 4.350 -0.000 0.000 0.287 40 T C 1.381 175.935 174.700 -0.244 0.000 1.007 40 T CA -0.161 61.570 62.100 -0.616 0.000 1.005 40 T CB 1.407 69.893 68.868 -0.637 0.000 1.012 40 T HN 0.399 nan 8.240 nan 0.000 0.530 41 A N 0.243 122.985 122.820 -0.131 0.000 1.972 41 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 41 A C 2.105 179.631 177.584 -0.097 0.000 1.169 41 A CA 1.482 53.474 52.037 -0.075 0.000 0.635 41 A CB -0.980 17.997 19.000 -0.039 0.000 0.810 41 A HN 0.870 nan 8.150 nan 0.000 0.446 42 E N -1.000 119.128 120.200 -0.120 0.000 2.347 42 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 42 E C 0.313 176.854 176.600 -0.099 0.000 1.008 42 E CA 0.628 56.962 56.400 -0.110 0.000 0.852 42 E CB -0.204 29.419 29.700 -0.128 0.000 0.783 42 E HN 0.651 nan 8.360 nan 0.000 0.505 43 Q N -0.926 118.804 119.800 -0.117 0.000 2.470 43 Q HA -0.169 4.171 4.340 -0.000 0.000 0.281 43 Q C -1.042 174.896 176.000 -0.104 0.000 1.260 43 Q CA 0.191 55.934 55.803 -0.099 0.000 0.815 43 Q CB -1.771 26.930 28.738 -0.063 0.000 1.204 43 Q HN 0.287 nan 8.270 nan 0.000 0.444 44 I N 1.864 122.349 120.570 -0.142 0.000 2.355 44 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 44 I C -1.988 174.043 176.117 -0.142 0.000 0.999 44 I CA -2.227 59.000 61.300 -0.122 0.000 1.163 44 I CB 1.266 39.190 38.000 -0.128 0.000 1.316 44 I HN -0.132 nan 8.210 nan 0.000 0.454 45 P HA 0.124 nan 4.420 nan 0.000 0.276 45 P C -0.692 176.648 177.300 0.067 0.000 1.243 45 P CA -0.129 62.957 63.100 -0.024 0.000 0.768 45 P CB 1.391 33.096 31.700 0.008 0.000 0.856 46 V N 4.408 124.378 119.914 0.093 0.000 2.326 46 V HA 0.429 4.549 4.120 -0.000 0.000 0.281 46 V C 1.158 177.418 176.094 0.277 0.000 1.015 46 V CA -0.336 62.153 62.300 0.314 0.000 0.823 46 V CB 1.077 33.106 31.823 0.342 0.000 1.009 46 V HN 0.743 nan 8.190 nan 0.000 0.436 47 G N 2.860 111.726 108.800 0.110 0.000 2.553 47 G HA2 0.305 4.265 3.960 -0.000 0.000 0.278 47 G HA3 0.305 4.265 3.960 -0.000 0.000 0.278 47 G C 1.116 175.959 174.900 -0.095 0.000 1.349 47 G CA 0.509 45.560 45.100 -0.082 0.000 1.037 47 G HN 0.741 nan 8.290 nan 0.000 0.508 48 T N -2.951 111.541 114.554 -0.102 0.000 3.100 48 T HA 0.352 4.702 4.350 -0.000 0.000 0.253 48 T C 0.239 174.888 174.700 -0.085 0.000 1.118 48 T CA 0.345 62.422 62.100 -0.038 0.000 1.058 48 T CB -0.116 68.790 68.868 0.063 0.000 0.953 48 T HN 0.435 nan 8.240 nan 0.000 0.515 49 L N 0.081 121.135 121.223 -0.283 0.000 2.592 49 L HA 0.631 4.971 4.340 -0.000 0.000 0.258 49 L C -2.176 174.367 176.870 -0.545 0.000 0.926 49 L CA -0.930 53.724 54.840 -0.310 0.000 0.885 49 L CB 1.768 43.571 42.059 -0.427 0.000 1.380 49 L HN 0.086 nan 8.230 nan 0.000 0.415 50 F N 3.107 122.961 119.950 -0.159 0.000 2.508 50 F HA 0.650 5.177 4.527 -0.000 0.000 0.325 50 F C 0.325 176.033 175.800 -0.155 0.000 1.090 50 F CA -0.257 57.673 58.000 -0.116 0.000 0.945 50 F CB 2.066 41.047 39.000 -0.032 0.000 1.156 50 F HN 0.533 nan 8.300 nan 0.000 0.463 51 N N -0.070 118.592 118.700 -0.063 0.000 3.102 51 N HA 0.173 4.913 4.740 -0.000 0.000 0.299 51 N C 0.543 175.894 175.510 -0.265 0.000 1.482 51 N CA -0.692 52.275 53.050 -0.138 0.000 0.785 51 N CB 0.933 39.328 38.487 -0.153 0.000 1.680 51 N HN 0.561 nan 8.380 nan 0.000 0.594 52 E N 0.451 120.494 120.200 -0.262 0.000 2.267 52 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 52 E C 0.113 176.516 176.600 -0.328 0.000 0.998 52 E CA 1.446 57.636 56.400 -0.351 0.000 0.830 52 E CB -0.383 29.311 29.700 -0.010 0.000 0.751 52 E HN 0.701 nan 8.360 nan 0.000 0.491 53 D N 2.147 122.423 120.400 -0.206 0.000 2.263 53 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 53 D C 2.182 178.399 176.300 -0.138 0.000 0.971 53 D CA 1.661 55.587 54.000 -0.124 0.000 0.867 53 D CB -0.829 39.926 40.800 -0.075 0.000 0.929 53 D HN 0.310 nan 8.370 nan 0.000 0.492 54 V N -1.398 118.384 119.914 -0.220 0.000 2.490 54 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 54 V C 2.050 178.042 176.094 -0.169 0.000 1.061 54 V CA 1.019 63.234 62.300 -0.142 0.000 1.064 54 V CB -1.339 30.427 31.823 -0.095 0.000 0.670 54 V HN -0.011 nan 8.190 nan 0.000 0.461 55 Y N 1.310 121.524 120.300 -0.142 0.000 2.333 55 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 55 Y C 2.588 178.302 175.900 -0.310 0.000 1.144 55 Y CA 1.016 58.953 58.100 -0.272 0.000 1.228 55 Y CB -1.090 37.236 38.460 -0.222 0.000 0.985 55 Y HN 0.310 nan 8.280 nan 0.000 0.542 56 K N 0.441 120.804 120.400 -0.062 0.000 2.044 56 K HA -0.274 4.046 4.320 -0.000 0.000 0.224 56 K C 0.943 177.443 176.600 -0.166 0.000 1.056 56 K CA 2.400 58.634 56.287 -0.088 0.000 0.962 56 K CB -0.246 32.232 32.500 -0.037 0.000 0.730 56 K HN 0.271 nan 8.250 nan 0.000 0.453 57 D N -0.041 120.233 120.400 -0.210 0.000 2.340 57 D HA 0.018 4.658 4.640 -0.000 0.000 0.220 57 D C 0.168 176.035 176.300 -0.720 0.000 1.039 57 D CA 0.442 54.279 54.000 -0.273 0.000 0.866 57 D CB 0.067 40.905 40.800 0.063 0.000 0.913 57 D HN 0.315 nan 8.370 nan 0.000 0.523 58 M N 1.487 120.515 119.600 -0.954 0.000 2.184 58 M HA 0.046 4.526 4.480 -0.000 0.000 0.351 58 M C 0.591 176.303 176.300 -0.980 0.000 1.395 58 M CA -0.105 54.326 55.300 -1.449 0.000 1.117 58 M CB 0.918 32.479 32.600 -1.732 0.000 1.708 58 M HN -0.214 nan 8.290 nan 0.000 0.468 59 D N 1.169 121.174 120.400 -0.659 0.000 2.363 59 D HA -0.026 4.614 4.640 -0.000 0.000 0.214 59 D C 0.762 176.946 176.300 -0.193 0.000 1.093 59 D CA -0.117 53.693 54.000 -0.318 0.000 0.837 59 D CB -0.222 40.506 40.800 -0.119 0.000 0.948 59 D HN 0.768 nan 8.370 nan 0.000 0.507 60 W N -0.281 120.886 121.300 -0.223 0.000 3.008 60 W HA 0.432 5.092 4.660 0.000 0.000 0.355 60 W C 0.736 177.133 176.519 -0.203 0.000 1.095 60 W CA -0.596 56.625 57.345 -0.206 0.000 1.738 60 W CB -0.520 28.808 29.460 -0.220 0.000 1.091 60 W HN -0.183 nan 8.180 nan 0.000 0.574 61 L N 1.367 122.284 121.223 -0.511 0.000 2.349 61 L HA -0.129 4.211 4.340 -0.000 0.000 0.220 61 L C 0.955 177.694 176.870 -0.218 0.000 1.130 61 L CA 1.563 56.163 54.840 -0.402 0.000 0.791 61 L CB -0.408 41.290 42.059 -0.601 0.000 0.918 61 L HN 0.015 nan 8.230 nan 0.000 0.444 62 D N -0.303 119.986 120.400 -0.186 0.000 2.957 62 D HA 0.096 4.736 4.640 -0.000 0.000 0.352 62 D C 0.187 176.357 176.300 -0.217 0.000 1.352 62 D CA -0.113 53.768 54.000 -0.198 0.000 0.831 62 D CB 0.277 40.980 40.800 -0.162 0.000 1.147 62 D HN 0.090 nan 8.370 nan 0.000 0.467 63 T N -2.754 111.709 114.554 -0.152 0.000 2.949 63 T HA 0.611 4.961 4.350 -0.000 0.000 0.287 63 T C -0.312 174.253 174.700 -0.225 0.000 1.034 63 T CA -0.631 61.402 62.100 -0.112 0.000 1.018 63 T CB 1.347 70.203 68.868 -0.019 0.000 1.135 63 T HN -0.049 nan 8.240 nan 0.000 0.532 64 Y N -0.048 120.359 120.300 0.178 0.000 2.393 64 Y HA 0.629 5.179 4.550 -0.000 0.000 0.341 64 Y C 0.734 176.762 175.900 0.213 0.000 0.988 64 Y CA -1.151 57.058 58.100 0.181 0.000 1.078 64 Y CB 1.556 40.049 38.460 0.055 0.000 1.203 64 Y HN 1.077 nan 8.280 nan 0.000 0.453 65 A N 1.414 124.457 122.820 0.372 0.000 2.483 65 A HA 0.417 4.737 4.320 -0.000 0.000 0.238 65 A C 1.345 179.092 177.584 0.271 0.000 1.070 65 A CA 0.690 52.917 52.037 0.316 0.000 0.770 65 A CB -0.827 18.336 19.000 0.272 0.000 1.008 65 A HN 1.641 nan 8.150 nan 0.000 0.497 66 G N -0.091 108.910 108.800 0.335 0.000 2.148 66 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 66 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 66 G C -0.060 174.974 174.900 0.225 0.000 0.981 66 G CA 0.635 45.959 45.100 0.374 0.000 0.670 66 G HN 0.999 nan 8.290 nan 0.000 0.528 67 I N 0.468 120.958 120.570 -0.133 0.000 2.607 67 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 67 I C -2.443 173.104 176.117 -0.949 0.000 1.129 67 I CA -2.632 58.412 61.300 -0.427 0.000 1.042 67 I CB 2.715 40.638 38.000 -0.128 0.000 1.242 67 I HN -0.211 nan 8.210 nan 0.000 0.421 68 P HA 0.044 nan 4.420 nan 0.000 0.265 68 P C -2.081 174.953 177.300 -0.442 0.000 1.187 68 P CA -0.726 61.801 63.100 -0.956 0.000 0.766 68 P CB -0.079 31.312 31.700 -0.514 0.000 0.820 69 P HA 0.150 nan 4.420 nan 0.000 0.253 69 P C -0.419 176.863 177.300 -0.029 0.000 1.459 69 P CA -0.396 62.592 63.100 -0.185 0.000 0.908 69 P CB -0.402 31.227 31.700 -0.118 0.000 1.470 70 F N -2.183 117.728 119.950 -0.064 0.000 3.090 70 F HA -0.214 4.313 4.527 -0.000 0.000 0.282 70 F C 1.825 177.551 175.800 -0.124 0.000 0.923 70 F CA 0.369 58.334 58.000 -0.058 0.000 0.977 70 F CB -2.571 36.412 39.000 -0.028 0.000 0.954 70 F HN -0.055 nan 8.300 nan 0.000 0.695 71 V N 0.226 120.062 119.914 -0.130 0.000 2.332 71 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 71 V C 2.372 178.320 176.094 -0.244 0.000 1.055 71 V CA 2.687 64.803 62.300 -0.307 0.000 1.038 71 V CB -0.246 31.260 31.823 -0.529 0.000 0.651 71 V HN 0.559 nan 8.190 nan 0.000 0.450 72 H N 0.031 119.114 119.070 0.022 0.000 2.551 72 H HA 0.441 4.997 4.556 0.000 0.000 0.266 72 H C 0.904 176.298 175.328 0.110 0.000 0.977 72 H CA 0.850 56.916 56.048 0.030 0.000 1.163 72 H CB 0.087 29.875 29.762 0.044 0.000 1.381 72 H HN 0.590 nan 8.280 nan 0.000 0.581 73 G N 0.320 109.242 108.800 0.203 0.000 2.321 73 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.339 73 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.339 73 G C -2.312 172.651 174.900 0.104 0.000 1.518 73 G CA -0.587 44.599 45.100 0.143 0.000 0.994 73 G HN -0.187 nan 8.290 nan 0.000 0.668 74 P HA 0.074 nan 4.420 nan 0.000 0.222 74 P C -0.102 177.062 177.300 -0.228 0.000 1.153 74 P CA 1.069 63.914 63.100 -0.425 0.000 0.798 74 P CB 0.060 31.257 31.700 -0.838 0.000 0.796 75 Y N -1.244 119.150 120.300 0.158 0.000 2.409 75 Y HA 0.607 5.157 4.550 -0.000 0.000 0.339 75 Y C 1.827 177.821 175.900 0.157 0.000 1.033 75 Y CA -1.351 56.838 58.100 0.149 0.000 1.094 75 Y CB 0.216 38.748 38.460 0.121 0.000 1.210 75 Y HN -0.186 nan 8.280 nan 0.000 0.456 76 A N 1.262 124.257 122.820 0.291 0.000 1.948 76 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 76 A C 1.835 179.521 177.584 0.170 0.000 1.177 76 A CA 2.646 54.801 52.037 0.197 0.000 0.636 76 A CB -1.070 18.002 19.000 0.121 0.000 0.815 76 A HN 0.877 nan 8.150 nan 0.000 0.449 77 T N -5.144 109.511 114.554 0.169 0.000 3.023 77 T HA 0.384 4.734 4.350 -0.000 0.000 0.253 77 T C 0.985 175.810 174.700 0.209 0.000 1.038 77 T CA 0.403 62.602 62.100 0.166 0.000 0.962 77 T CB -0.063 68.891 68.868 0.143 0.000 1.018 77 T HN 0.213 nan 8.240 nan 0.000 0.521 78 M N 0.954 120.699 119.600 0.242 0.000 7.319 78 M HA -0.272 4.207 4.480 -0.000 0.000 0.170 78 M C 1.058 177.509 176.300 0.252 0.000 0.480 78 M CA 1.607 56.998 55.300 0.152 0.000 1.311 78 M CB -2.049 30.453 32.600 -0.163 0.000 0.421 78 M HN 0.282 nan 8.290 nan 0.000 0.514 79 Y N 0.145 120.472 120.300 0.046 0.000 2.497 79 Y HA 0.200 4.750 4.550 -0.000 0.000 0.292 79 Y C 2.410 178.357 175.900 0.078 0.000 1.137 79 Y CA 1.068 59.209 58.100 0.069 0.000 1.285 79 Y CB -1.706 36.811 38.460 0.095 0.000 0.991 79 Y HN 0.614 nan 8.280 nan 0.000 0.556 80 A N -0.379 122.591 122.820 0.249 0.000 1.933 80 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 80 A C 2.098 179.806 177.584 0.206 0.000 1.175 80 A CA 1.726 53.876 52.037 0.188 0.000 0.628 80 A CB -0.966 18.131 19.000 0.162 0.000 0.814 80 A HN 0.417 nan 8.150 nan 0.000 0.444 81 F N -1.129 118.868 119.950 0.077 0.000 2.343 81 F HA 0.374 4.901 4.527 -0.000 0.000 0.286 81 F C 0.854 176.670 175.800 0.026 0.000 1.057 81 F CA 0.784 58.809 58.000 0.042 0.000 1.365 81 F CB 0.329 39.351 39.000 0.036 0.000 1.114 81 F HN 0.098 nan 8.300 nan 0.000 0.545 82 R N 1.025 121.516 120.500 -0.016 0.000 2.515 82 R HA 0.313 4.653 4.340 -0.000 0.000 0.278 82 R C -2.987 173.308 176.300 -0.009 0.000 1.107 82 R CA -2.049 53.943 56.100 -0.181 0.000 0.945 82 R CB 1.792 31.934 30.300 -0.263 0.000 1.219 82 R HN -0.106 nan 8.270 nan 0.000 0.434 83 P HA 0.080 nan 4.420 nan 0.000 0.274 83 P C -0.587 176.470 177.300 -0.405 0.000 1.246 83 P CA -0.361 62.463 63.100 -0.460 0.000 0.795 83 P CB 0.366 31.583 31.700 -0.804 0.000 1.006 84 W N 0.569 121.536 121.300 -0.555 0.000 2.124 84 W HA 0.243 4.903 4.660 -0.000 0.000 0.356 84 W C -0.615 175.834 176.519 -0.117 0.000 1.302 84 W CA -0.286 56.948 57.345 -0.186 0.000 1.293 84 W CB -1.505 27.852 29.460 -0.173 0.000 1.199 84 W HN 0.154 nan 8.180 nan 0.000 0.606 85 T N 3.628 118.231 114.554 0.081 0.000 2.749 85 T HA 0.276 4.626 4.350 -0.000 0.000 0.295 85 T C 0.262 175.010 174.700 0.080 0.000 0.936 85 T CA -0.446 61.639 62.100 -0.025 0.000 1.060 85 T CB 0.225 69.118 68.868 0.041 0.000 0.904 85 T HN 0.310 nan 8.240 nan 0.000 0.500 86 I N 4.201 124.736 120.570 -0.058 0.000 2.494 86 I HA 0.177 4.347 4.170 -0.000 0.000 0.289 86 I C 0.957 177.117 176.117 0.072 0.000 1.106 86 I CA 0.313 61.652 61.300 0.065 0.000 1.369 86 I CB 0.073 38.053 38.000 -0.033 0.000 1.410 86 I HN 0.398 nan 8.210 nan 0.000 0.523 87 R N 6.582 127.169 120.500 0.146 0.000 2.680 87 R HA 0.214 4.554 4.340 -0.000 0.000 0.278 87 R C -1.059 175.360 176.300 0.199 0.000 1.582 87 R CA -0.665 55.498 56.100 0.106 0.000 1.177 87 R CB 0.864 31.202 30.300 0.064 0.000 1.232 87 R HN 0.531 nan 8.270 nan 0.000 0.528 88 Q N 3.265 123.174 119.800 0.181 0.000 2.279 88 Q HA 0.052 4.392 4.340 -0.000 0.000 0.256 88 Q C -0.776 175.427 176.000 0.338 0.000 0.937 88 Q CA -0.318 55.705 55.803 0.367 0.000 0.933 88 Q CB 1.280 30.106 28.738 0.148 0.000 1.189 88 Q HN 0.425 nan 8.270 nan 0.000 0.417 89 Y N 2.064 122.523 120.300 0.266 0.000 2.442 89 Y HA 0.332 4.882 4.550 -0.000 0.000 0.330 89 Y C -0.490 175.496 175.900 0.143 0.000 1.129 89 Y CA -0.503 57.580 58.100 -0.030 0.000 1.365 89 Y CB 0.367 38.597 38.460 -0.382 0.000 1.233 89 Y HN 0.667 nan 8.280 nan 0.000 0.529 90 A N 3.234 126.034 122.820 -0.032 0.000 2.608 90 A HA 0.830 5.150 4.320 -0.000 0.000 0.292 90 A C -0.692 177.005 177.584 0.189 0.000 1.066 90 A CA -0.170 51.985 52.037 0.197 0.000 0.676 90 A CB 1.185 20.522 19.000 0.562 0.000 1.277 90 A HN 1.579 nan 8.150 nan 0.000 0.413 91 G N -0.283 108.665 108.800 0.247 0.000 2.341 91 G HA2 0.702 4.662 3.960 -0.000 0.000 0.300 91 G HA3 0.702 4.662 3.960 -0.000 0.000 0.300 91 G C -1.206 173.777 174.900 0.139 0.000 1.706 91 G CA 0.133 45.273 45.100 0.066 0.000 0.916 91 G HN 2.223 nan 8.290 nan 0.000 0.716 92 F N 0.524 120.399 119.950 -0.125 0.000 2.688 92 F HA 0.841 5.368 4.527 -0.000 0.000 0.308 92 F C 0.467 176.205 175.800 -0.104 0.000 1.117 92 F CA -0.057 57.875 58.000 -0.113 0.000 0.976 92 F CB 1.141 40.052 39.000 -0.149 0.000 1.291 92 F HN 1.478 nan 8.300 nan 0.000 0.439 93 S N 0.548 116.258 115.700 0.017 0.000 4.112 93 S HA -0.227 4.243 4.470 -0.000 0.000 0.602 93 S C 0.430 174.936 174.600 -0.157 0.000 1.939 93 S CA 2.023 60.188 58.200 -0.057 0.000 4.230 93 S CB -1.827 61.365 63.200 -0.013 0.000 0.245 93 S HN 1.968 nan 8.310 nan 0.000 0.530 94 T N -0.043 114.382 114.554 -0.214 0.000 2.902 94 T HA 0.782 5.132 4.350 -0.000 0.000 0.280 94 T C 1.238 175.763 174.700 -0.292 0.000 0.992 94 T CA 0.273 62.256 62.100 -0.194 0.000 1.015 94 T CB 1.391 70.176 68.868 -0.139 0.000 1.044 94 T HN 1.247 nan 8.240 nan 0.000 0.520 95 A N 1.297 123.990 122.820 -0.213 0.000 1.908 95 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 95 A C 2.356 179.767 177.584 -0.287 0.000 1.181 95 A CA 1.867 53.757 52.037 -0.244 0.000 0.627 95 A CB -0.958 17.961 19.000 -0.135 0.000 0.818 95 A HN 0.904 nan 8.150 nan 0.000 0.445 96 K N -0.155 120.115 120.400 -0.216 0.000 2.009 96 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 96 K C 2.010 178.463 176.600 -0.244 0.000 1.049 96 K CA 1.987 58.159 56.287 -0.191 0.000 0.929 96 K CB -0.204 32.219 32.500 -0.127 0.000 0.714 96 K HN 0.669 nan 8.250 nan 0.000 0.440 97 E N -0.510 119.506 120.200 -0.308 0.000 2.051 97 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 97 E C 2.099 178.360 176.600 -0.566 0.000 0.991 97 E CA 1.437 57.618 56.400 -0.365 0.000 0.799 97 E CB -0.037 29.397 29.700 -0.443 0.000 0.748 97 E HN 0.160 nan 8.360 nan 0.000 0.449 98 S N 1.028 116.210 115.700 -0.862 0.000 2.359 98 S HA -0.242 4.228 4.470 -0.000 0.000 0.222 98 S C 1.801 175.842 174.600 -0.932 0.000 1.038 98 S CA 1.342 58.993 58.200 -0.916 0.000 1.051 98 S CB -0.555 62.133 63.200 -0.853 0.000 0.944 98 S HN 0.346 nan 8.310 nan 0.000 0.433 99 N N 1.644 119.895 118.700 -0.748 0.000 2.094 99 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 99 N C 1.821 177.183 175.510 -0.246 0.000 1.023 99 N CA 1.545 54.282 53.050 -0.523 0.000 0.857 99 N CB -0.311 37.993 38.487 -0.305 0.000 1.013 99 N HN 0.384 nan 8.380 nan 0.000 0.426 100 A N 0.649 123.377 122.820 -0.153 0.000 1.877 100 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 100 A C 2.084 179.722 177.584 0.089 0.000 1.186 100 A CA 1.090 53.117 52.037 -0.017 0.000 0.620 100 A CB -1.126 17.879 19.000 0.008 0.000 0.822 100 A HN 0.444 nan 8.150 nan 0.000 0.443 101 F N -0.031 119.892 119.950 -0.045 0.000 2.069 101 F HA -0.205 4.322 4.527 0.000 0.000 0.298 101 F C 2.217 178.105 175.800 0.147 0.000 1.113 101 F CA 1.525 59.581 58.000 0.093 0.000 1.214 101 F CB -0.710 38.436 39.000 0.244 0.000 0.978 101 F HN 0.344 nan 8.300 nan 0.000 0.474 102 Y N 0.784 121.062 120.300 -0.038 0.000 2.114 102 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 102 Y C 2.664 178.509 175.900 -0.092 0.000 1.165 102 Y CA 1.559 59.587 58.100 -0.120 0.000 1.148 102 Y CB -1.571 36.843 38.460 -0.076 0.000 0.972 102 Y HN 0.095 nan 8.280 nan 0.000 0.504 103 R N -0.022 120.546 120.500 0.114 0.000 2.081 103 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 103 R C 2.328 178.645 176.300 0.028 0.000 1.131 103 R CA 1.392 57.530 56.100 0.063 0.000 0.960 103 R CB -0.348 29.982 30.300 0.050 0.000 0.856 103 R HN 0.364 nan 8.270 nan 0.000 0.436 104 R N 0.337 120.849 120.500 0.019 0.000 2.092 104 R HA -0.022 4.318 4.340 -0.000 0.000 0.231 104 R C 1.858 178.133 176.300 -0.042 0.000 1.119 104 R CA 1.026 57.130 56.100 0.008 0.000 0.970 104 R CB -0.247 30.080 30.300 0.046 0.000 0.864 104 R HN 0.251 nan 8.270 nan 0.000 0.440 105 N N 1.064 119.692 118.700 -0.120 0.000 2.106 105 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 105 N C 1.929 177.389 175.510 -0.083 0.000 1.029 105 N CA 1.052 54.005 53.050 -0.162 0.000 0.848 105 N CB -0.281 38.024 38.487 -0.303 0.000 1.007 105 N HN 0.153 nan 8.380 nan 0.000 0.423 106 L N 0.693 121.886 121.223 -0.050 0.000 2.012 106 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 106 L C 2.343 179.200 176.870 -0.021 0.000 1.073 106 L CA 1.319 56.144 54.840 -0.026 0.000 0.748 106 L CB -0.498 41.565 42.059 0.006 0.000 0.891 106 L HN 0.131 nan 8.230 nan 0.000 0.431 107 A N -0.277 122.536 122.820 -0.012 0.000 1.972 107 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 107 A C 2.229 179.805 177.584 -0.014 0.000 1.169 107 A CA 1.539 53.572 52.037 -0.008 0.000 0.635 107 A CB -0.566 18.436 19.000 0.002 0.000 0.810 107 A HN 0.407 nan 8.150 nan 0.000 0.446 108 A N -2.007 120.801 122.820 -0.020 0.000 2.278 108 A HA 0.441 4.761 4.320 -0.000 0.000 0.212 108 A C 1.579 179.146 177.584 -0.028 0.000 1.213 108 A CA 1.152 53.178 52.037 -0.019 0.000 0.840 108 A CB -0.783 18.206 19.000 -0.019 0.000 0.866 108 A HN 1.754 nan 8.150 nan 0.000 0.489 109 G N -1.347 107.431 108.800 -0.037 0.000 2.231 109 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 109 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 109 G C 0.254 175.118 174.900 -0.060 0.000 0.996 109 G CA 0.130 45.201 45.100 -0.049 0.000 0.645 109 G HN 0.722 nan 8.290 nan 0.000 0.498 110 Q N 0.361 120.128 119.800 -0.056 0.000 2.361 110 Q HA 0.503 4.843 4.340 -0.000 0.000 0.276 110 Q C 1.390 177.354 176.000 -0.060 0.000 1.022 110 Q CA 0.603 56.373 55.803 -0.056 0.000 0.898 110 Q CB 0.877 29.577 28.738 -0.063 0.000 1.246 110 Q HN 0.206 nan 8.270 nan 0.000 0.410 111 K N 1.988 122.349 120.400 -0.065 0.000 2.214 111 K HA 0.269 4.589 4.320 -0.000 0.000 0.201 111 K C -0.084 176.485 176.600 -0.053 0.000 1.049 111 K CA 1.170 57.415 56.287 -0.070 0.000 0.978 111 K CB 0.406 32.844 32.500 -0.103 0.000 0.842 111 K HN 0.632 nan 8.250 nan 0.000 0.474 112 G N 0.155 108.926 108.800 -0.049 0.000 2.533 112 G HA2 0.564 4.524 3.960 -0.000 0.000 0.304 112 G HA3 0.564 4.524 3.960 -0.000 0.000 0.304 112 G C -1.327 173.530 174.900 -0.073 0.000 1.263 112 G CA -0.753 44.315 45.100 -0.052 0.000 0.964 112 G HN 0.093 nan 8.290 nan 0.000 0.479 113 L N 0.246 121.417 121.223 -0.087 0.000 2.387 113 L HA 0.757 5.097 4.340 -0.000 0.000 0.266 113 L C 0.427 177.201 176.870 -0.160 0.000 1.059 113 L CA -0.798 53.939 54.840 -0.171 0.000 0.801 113 L CB 2.026 43.980 42.059 -0.174 0.000 1.223 113 L HN 0.529 nan 8.230 nan 0.000 0.456 114 S N 0.584 116.165 115.700 -0.198 0.000 2.689 114 S HA 0.480 4.950 4.470 -0.000 0.000 0.274 114 S C -1.119 173.441 174.600 -0.066 0.000 1.176 114 S CA -0.575 57.575 58.200 -0.083 0.000 1.014 114 S CB 1.238 64.420 63.200 -0.031 0.000 1.071 114 S HN 0.229 nan 8.310 nan 0.000 0.478 115 V N 4.224 124.116 119.914 -0.035 0.000 2.407 115 V HA 0.753 4.873 4.120 -0.000 0.000 0.278 115 V C 0.668 176.621 176.094 -0.236 0.000 1.037 115 V CA -0.481 61.701 62.300 -0.196 0.000 0.900 115 V CB 0.998 32.615 31.823 -0.342 0.000 0.983 115 V HN 1.007 nan 8.190 nan 0.000 0.459 116 A N 5.565 128.118 122.820 -0.445 0.000 2.274 116 A HA 0.849 5.168 4.320 -0.000 0.000 0.309 116 A C -0.852 176.539 177.584 -0.322 0.000 1.226 116 A CA -0.284 51.493 52.037 -0.434 0.000 0.853 116 A CB 0.220 18.711 19.000 -0.849 0.000 1.146 116 A HN 0.617 nan 8.150 nan 0.000 0.518 117 F N 1.268 121.250 119.950 0.054 0.000 2.507 117 F HA 0.400 4.927 4.527 0.000 0.000 0.327 117 F C 0.688 176.521 175.800 0.055 0.000 1.068 117 F CA -0.746 57.230 58.000 -0.039 0.000 0.965 117 F CB 1.398 40.246 39.000 -0.252 0.000 1.192 117 F HN 0.726 nan 8.300 nan 0.000 0.476 118 D N 0.873 121.412 120.400 0.232 0.000 2.363 118 D HA 0.048 4.688 4.640 -0.000 0.000 0.240 118 D C 1.008 177.486 176.300 0.297 0.000 1.236 118 D CA -0.199 53.936 54.000 0.224 0.000 0.927 118 D CB 0.545 41.431 40.800 0.144 0.000 1.150 118 D HN 0.497 nan 8.370 nan 0.000 0.458 119 L N 0.061 121.444 121.223 0.266 0.000 1.994 119 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 119 L C -0.563 176.428 176.870 0.202 0.000 1.071 119 L CA 1.314 56.305 54.840 0.252 0.000 0.745 119 L CB -1.634 40.537 42.059 0.188 0.000 0.892 119 L HN 0.362 nan 8.230 nan 0.000 0.431 120 P HA -0.185 nan 4.420 nan 0.000 0.215 120 P C 1.612 178.992 177.300 0.133 0.000 1.163 120 P CA 1.797 65.005 63.100 0.181 0.000 0.894 120 P CB -0.163 31.613 31.700 0.127 0.000 0.791 121 T N -1.763 112.833 114.554 0.071 0.000 2.720 121 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 121 T C 1.658 176.283 174.700 -0.124 0.000 1.037 121 T CA 1.310 63.392 62.100 -0.030 0.000 1.144 121 T CB -1.066 67.784 68.868 -0.029 0.000 0.864 121 T HN 0.228 nan 8.240 nan 0.000 0.444 122 H N 1.566 120.615 119.070 -0.034 0.000 2.319 122 H HA 0.026 4.582 4.556 -0.000 0.000 0.297 122 H C 1.891 177.116 175.328 -0.171 0.000 1.097 122 H CA 1.232 57.226 56.048 -0.090 0.000 1.285 122 H CB -0.007 29.735 29.762 -0.034 0.000 1.368 122 H HN 0.271 nan 8.280 nan 0.000 0.495 123 R N 0.411 120.884 120.500 -0.044 0.000 2.423 123 R HA 0.116 4.456 4.340 -0.000 0.000 0.248 123 R C 0.634 176.641 176.300 -0.489 0.000 1.019 123 R CA 0.425 56.369 56.100 -0.258 0.000 1.119 123 R CB 0.060 30.222 30.300 -0.230 0.000 1.176 123 R HN 0.331 nan 8.270 nan 0.000 0.526 124 G N 1.510 110.094 108.800 -0.359 0.000 2.366 124 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.299 124 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.299 124 G C -0.684 173.979 174.900 -0.394 0.000 1.020 124 G CA 0.296 45.192 45.100 -0.341 0.000 1.026 124 G HN 0.363 nan 8.290 nan 0.000 0.512 125 Y N -0.224 120.036 120.300 -0.066 0.000 2.376 125 Y HA 0.476 5.026 4.550 -0.000 0.000 0.340 125 Y C 0.444 176.326 175.900 -0.031 0.000 0.965 125 Y CA -1.462 56.609 58.100 -0.048 0.000 1.078 125 Y CB 1.489 39.917 38.460 -0.052 0.000 1.193 125 Y HN 0.109 nan 8.280 nan 0.000 0.452 126 D N 0.374 120.862 120.400 0.147 0.000 2.344 126 D HA 0.115 4.755 4.640 -0.000 0.000 0.244 126 D C 0.735 177.080 176.300 0.075 0.000 1.134 126 D CA 0.103 54.149 54.000 0.077 0.000 0.930 126 D CB 1.417 42.246 40.800 0.048 0.000 1.175 126 D HN 0.584 nan 8.370 nan 0.000 0.437 127 S N 0.379 116.109 115.700 0.050 0.000 2.447 127 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 127 S C 1.126 175.740 174.600 0.022 0.000 1.006 127 S CA 0.844 59.066 58.200 0.037 0.000 0.957 127 S CB -0.107 63.112 63.200 0.032 0.000 0.773 127 S HN 0.556 nan 8.310 nan 0.000 0.507 128 D N 1.227 121.640 120.400 0.022 0.000 2.249 128 D HA -0.027 4.613 4.640 -0.000 0.000 0.205 128 D C 0.562 176.867 176.300 0.008 0.000 0.962 128 D CA 0.046 54.054 54.000 0.013 0.000 0.860 128 D CB -0.890 39.918 40.800 0.014 0.000 0.955 128 D HN 0.152 nan 8.370 nan 0.000 0.505 129 N N 2.031 120.740 118.700 0.016 0.000 2.365 129 N HA -0.039 4.701 4.740 -0.000 0.000 0.265 129 N C -1.414 174.074 175.510 -0.036 0.000 1.288 129 N CA -0.895 52.157 53.050 0.003 0.000 0.869 129 N CB 1.331 39.837 38.487 0.030 0.000 1.071 129 N HN -0.065 nan 8.380 nan 0.000 0.480 130 P HA -0.166 nan 4.420 nan 0.000 0.216 130 P C 1.196 178.454 177.300 -0.070 0.000 1.150 130 P CA 1.047 64.121 63.100 -0.042 0.000 0.837 130 P CB 0.204 31.887 31.700 -0.028 0.000 0.786 131 R N 0.813 121.243 120.500 -0.117 0.000 2.189 131 R HA -0.046 4.294 4.340 -0.000 0.000 0.223 131 R C 1.282 177.468 176.300 -0.190 0.000 1.092 131 R CA 1.432 57.436 56.100 -0.161 0.000 0.989 131 R CB -0.170 29.982 30.300 -0.248 0.000 0.876 131 R HN 0.188 nan 8.270 nan 0.000 0.457 132 V N -3.659 116.135 119.914 -0.199 0.000 3.214 132 V HA 0.395 4.515 4.120 -0.000 0.000 0.330 132 V C 1.589 177.649 176.094 -0.056 0.000 1.403 132 V CA 0.383 62.596 62.300 -0.145 0.000 1.143 132 V CB 0.304 32.021 31.823 -0.177 0.000 1.098 132 V HN 0.143 nan 8.190 nan 0.000 0.463 133 A N 1.993 124.785 122.820 -0.046 0.000 1.917 133 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 133 A C 2.265 179.844 177.584 -0.008 0.000 1.182 133 A CA 2.329 54.354 52.037 -0.021 0.000 0.633 133 A CB -1.246 17.741 19.000 -0.021 0.000 0.819 133 A HN 0.849 nan 8.150 nan 0.000 0.448 134 G N -1.151 107.644 108.800 -0.008 0.000 2.471 134 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 134 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 134 G C 0.972 175.880 174.900 0.014 0.000 1.125 134 G CA 1.113 46.212 45.100 -0.002 0.000 0.775 134 G HN 0.518 nan 8.290 nan 0.000 0.548 135 D N -0.129 120.288 120.400 0.028 0.000 2.366 135 D HA 0.067 4.707 4.640 -0.000 0.000 0.205 135 D C 0.988 177.323 176.300 0.059 0.000 1.022 135 D CA -0.084 53.950 54.000 0.056 0.000 0.868 135 D CB 0.586 41.430 40.800 0.074 0.000 0.953 135 D HN 0.029 nan 8.370 nan 0.000 0.514 136 V N 1.457 121.395 119.914 0.040 0.000 2.506 136 V HA 0.142 4.262 4.120 -0.000 0.000 0.296 136 V C 1.710 177.831 176.094 0.044 0.000 1.004 136 V CA 1.178 63.504 62.300 0.042 0.000 1.150 136 V CB 0.080 31.919 31.823 0.027 0.000 0.911 136 V HN 0.492 nan 8.190 nan 0.000 0.476 137 G N 4.990 113.823 108.800 0.055 0.000 2.180 137 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 137 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 137 G C 0.669 175.612 174.900 0.072 0.000 0.989 137 G CA 0.621 45.752 45.100 0.052 0.000 0.692 137 G HN 0.539 nan 8.290 nan 0.000 0.526 138 M N -0.628 119.020 119.600 0.080 0.000 2.388 138 M HA 0.347 4.827 4.480 -0.000 0.000 0.265 138 M C 2.497 178.863 176.300 0.110 0.000 1.088 138 M CA 1.563 56.914 55.300 0.085 0.000 1.134 138 M CB -0.619 32.026 32.600 0.076 0.000 1.384 138 M HN 0.711 nan 8.290 nan 0.000 0.447 139 A N -0.613 122.287 122.820 0.133 0.000 2.431 139 A HA 0.594 4.914 4.320 -0.000 0.000 0.239 139 A C 1.015 178.687 177.584 0.146 0.000 1.230 139 A CA 0.587 52.718 52.037 0.157 0.000 0.928 139 A CB 0.176 19.297 19.000 0.201 0.000 1.006 139 A HN 0.471 nan 8.150 nan 0.000 0.520 140 G N -1.663 107.212 108.800 0.125 0.000 2.321 140 G HA2 0.393 4.353 3.960 -0.000 0.000 0.296 140 G HA3 0.393 4.353 3.960 -0.000 0.000 0.296 140 G C -1.205 173.722 174.900 0.045 0.000 1.287 140 G CA 0.072 45.218 45.100 0.076 0.000 0.846 140 G HN 0.578 nan 8.290 nan 0.000 0.508 141 V N 0.955 120.845 119.914 -0.040 0.000 2.521 141 V HA 0.513 4.633 4.120 -0.000 0.000 0.286 141 V C 1.003 177.114 176.094 0.028 0.000 1.034 141 V CA 0.386 62.635 62.300 -0.084 0.000 1.045 141 V CB 0.675 32.369 31.823 -0.215 0.000 0.974 141 V HN 1.706 nan 8.190 nan 0.000 0.480 142 A N 8.806 131.633 122.820 0.013 0.000 2.410 142 A HA 0.549 4.869 4.320 -0.000 0.000 0.292 142 A C -0.353 177.272 177.584 0.070 0.000 1.232 142 A CA -0.248 51.820 52.037 0.052 0.000 0.893 142 A CB -0.376 18.640 19.000 0.026 0.000 1.131 142 A HN 0.634 nan 8.150 nan 0.000 0.530 143 I N 2.798 123.441 120.570 0.121 0.000 2.406 143 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 143 I C -0.261 175.898 176.117 0.070 0.000 0.999 143 I CA -0.338 61.038 61.300 0.127 0.000 1.124 143 I CB 1.702 39.842 38.000 0.233 0.000 1.289 143 I HN 0.676 nan 8.210 nan 0.000 0.441 144 D N 2.505 122.936 120.400 0.052 0.000 2.403 144 D HA 0.088 4.728 4.640 -0.000 0.000 0.280 144 D C 0.669 176.967 176.300 -0.004 0.000 1.091 144 D CA 0.608 54.621 54.000 0.021 0.000 0.884 144 D CB 1.391 42.201 40.800 0.017 0.000 1.427 144 D HN 0.595 nan 8.370 nan 0.000 0.504 145 S N -0.641 115.062 115.700 0.006 0.000 2.755 145 S HA 0.206 4.676 4.470 -0.000 0.000 0.286 145 S C 0.615 175.223 174.600 0.014 0.000 1.207 145 S CA -0.586 57.591 58.200 -0.038 0.000 0.892 145 S CB 0.956 64.069 63.200 -0.145 0.000 1.240 145 S HN -0.145 nan 8.310 nan 0.000 0.525 146 I N 0.970 121.535 120.570 -0.009 0.000 2.335 146 I HA -0.057 4.113 4.170 -0.000 0.000 0.251 146 I C 1.806 178.035 176.117 0.188 0.000 1.129 146 I CA 1.705 63.044 61.300 0.066 0.000 1.402 146 I CB -0.742 37.277 38.000 0.032 0.000 1.069 146 I HN 0.672 nan 8.210 nan 0.000 0.424 147 Y N 1.165 121.478 120.300 0.022 0.000 2.128 147 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 147 Y C 2.551 178.462 175.900 0.018 0.000 1.154 147 Y CA 1.524 59.633 58.100 0.015 0.000 1.149 147 Y CB -1.315 37.149 38.460 0.007 0.000 0.976 147 Y HN 0.312 nan 8.280 nan 0.000 0.505 148 D N -0.815 119.700 120.400 0.192 0.000 2.084 148 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 148 D C 2.342 178.711 176.300 0.115 0.000 0.985 148 D CA 1.091 55.157 54.000 0.110 0.000 0.826 148 D CB -0.214 40.644 40.800 0.096 0.000 0.978 148 D HN 0.198 nan 8.370 nan 0.000 0.456 149 M N 0.667 120.368 119.600 0.168 0.000 2.080 149 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 149 M C 2.264 178.712 176.300 0.247 0.000 1.068 149 M CA 1.114 56.563 55.300 0.248 0.000 1.109 149 M CB -0.912 31.845 32.600 0.261 0.000 1.342 149 M HN 0.009 nan 8.290 nan 0.000 0.405 150 R N 0.438 121.041 120.500 0.171 0.000 2.091 150 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 150 R C 1.877 178.235 176.300 0.095 0.000 1.136 150 R CA 1.861 58.041 56.100 0.132 0.000 0.959 150 R CB -0.059 30.302 30.300 0.102 0.000 0.856 150 R HN 0.467 nan 8.270 nan 0.000 0.437 151 E N 0.073 120.300 120.200 0.046 0.000 2.208 151 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 151 E C 1.848 178.398 176.600 -0.083 0.000 0.988 151 E CA 0.631 57.019 56.400 -0.020 0.000 0.828 151 E CB -0.006 29.667 29.700 -0.045 0.000 0.763 151 E HN 0.175 nan 8.360 nan 0.000 0.478 152 L N -0.202 120.950 121.223 -0.118 0.000 2.046 152 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 152 L C 1.265 177.827 176.870 -0.513 0.000 1.077 152 L CA 1.712 56.334 54.840 -0.363 0.000 0.747 152 L CB -0.093 41.709 42.059 -0.428 0.000 0.896 152 L HN 0.039 nan 8.230 nan 0.000 0.432 153 F N 0.001 120.016 119.950 0.108 0.000 2.660 153 F HA 0.422 4.949 4.527 -0.000 0.000 0.302 153 F C 1.237 177.074 175.800 0.062 0.000 1.103 153 F CA -0.154 57.916 58.000 0.116 0.000 1.340 153 F CB -0.985 38.084 39.000 0.115 0.000 1.048 153 F HN -0.002 nan 8.300 nan 0.000 0.551 154 A N 0.402 123.285 122.820 0.105 0.000 2.522 154 A HA 0.435 4.755 4.320 -0.000 0.000 0.256 154 A C 1.478 179.100 177.584 0.064 0.000 1.086 154 A CA 0.694 52.771 52.037 0.067 0.000 0.763 154 A CB -0.788 18.221 19.000 0.016 0.000 1.024 154 A HN 0.928 nan 8.150 nan 0.000 0.502 155 G N 1.579 110.422 108.800 0.071 0.000 2.141 155 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.242 155 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.242 155 G C -0.076 174.877 174.900 0.088 0.000 0.982 155 G CA 0.339 45.476 45.100 0.062 0.000 0.662 155 G HN 0.959 nan 8.290 nan 0.000 0.527 156 I N 1.300 121.951 120.570 0.135 0.000 2.521 156 I HA 0.287 4.457 4.170 -0.000 0.000 0.277 156 I C -2.403 173.804 176.117 0.149 0.000 1.054 156 I CA -2.320 59.081 61.300 0.168 0.000 1.117 156 I CB 2.163 40.335 38.000 0.286 0.000 1.217 156 I HN -0.201 nan 8.210 nan 0.000 0.469 157 P HA 0.070 nan 4.420 nan 0.000 0.260 157 P C 0.857 178.189 177.300 0.053 0.000 1.207 157 P CA 0.191 63.325 63.100 0.056 0.000 0.780 157 P CB 0.415 32.139 31.700 0.040 0.000 0.789 158 L N 2.299 123.531 121.223 0.015 0.000 2.456 158 L HA -0.121 4.219 4.340 -0.000 0.000 0.224 158 L C 1.720 178.610 176.870 0.033 0.000 1.148 158 L CA 1.023 55.860 54.840 -0.004 0.000 0.825 158 L CB -0.620 41.336 42.059 -0.172 0.000 0.937 158 L HN 0.380 nan 8.230 nan 0.000 0.450 159 D N -0.798 119.618 120.400 0.027 0.000 2.323 159 D HA -0.156 4.484 4.640 -0.000 0.000 0.209 159 D C 1.704 178.030 176.300 0.043 0.000 0.973 159 D CA 0.650 54.672 54.000 0.038 0.000 0.874 159 D CB 0.096 40.909 40.800 0.022 0.000 0.930 159 D HN 0.419 nan 8.370 nan 0.000 0.521 160 Q N -1.160 118.665 119.800 0.042 0.000 2.378 160 Q HA 0.197 4.537 4.340 -0.000 0.000 0.229 160 Q C 0.301 176.325 176.000 0.040 0.000 0.882 160 Q CA -0.197 55.627 55.803 0.035 0.000 0.936 160 Q CB 0.669 29.423 28.738 0.028 0.000 1.092 160 Q HN 0.114 nan 8.270 nan 0.000 0.535 161 M N 0.400 120.036 119.600 0.060 0.000 2.367 161 M HA 0.272 4.752 4.480 -0.000 0.000 0.339 161 M C -0.663 175.677 176.300 0.067 0.000 1.177 161 M CA -0.587 54.751 55.300 0.064 0.000 1.068 161 M CB 1.858 34.517 32.600 0.099 0.000 1.602 161 M HN -0.190 nan 8.290 nan 0.000 0.457 162 S N 3.591 119.306 115.700 0.024 0.000 2.438 162 S HA 0.731 5.201 4.470 -0.000 0.000 0.293 162 S C -1.329 173.247 174.600 -0.040 0.000 1.141 162 S CA -0.637 57.552 58.200 -0.019 0.000 1.080 162 S CB 0.146 63.308 63.200 -0.062 0.000 0.978 162 S HN 0.572 nan 8.310 nan 0.000 0.479 163 V N 4.608 124.480 119.914 -0.069 0.000 2.487 163 V HA 0.565 4.685 4.120 -0.000 0.000 0.298 163 V C 0.114 176.053 176.094 -0.258 0.000 1.028 163 V CA -0.752 61.499 62.300 -0.083 0.000 0.860 163 V CB 1.768 33.600 31.823 0.016 0.000 0.991 163 V HN 0.865 nan 8.190 nan 0.000 0.427 164 S N 5.846 121.422 115.700 -0.207 0.000 2.525 164 S HA 0.813 5.283 4.470 -0.000 0.000 0.290 164 S C -0.694 173.861 174.600 -0.074 0.000 1.152 164 S CA -0.584 57.465 58.200 -0.251 0.000 1.072 164 S CB 0.948 63.955 63.200 -0.321 0.000 1.027 164 S HN 0.665 nan 8.310 nan 0.000 0.500 165 M N 3.310 122.910 119.600 0.000 0.000 2.204 165 M HA 0.265 4.745 4.480 -0.000 0.000 0.293 165 M C -0.862 175.591 176.300 0.256 0.000 0.994 165 M CA -0.356 55.092 55.300 0.245 0.000 0.925 165 M CB 2.369 35.170 32.600 0.334 0.000 1.577 165 M HN 0.559 nan 8.290 nan 0.000 0.439 166 T N 4.286 119.081 114.554 0.402 0.000 2.992 166 T HA 0.496 4.846 4.350 -0.000 0.000 0.299 166 T C -0.659 174.282 174.700 0.401 0.000 1.027 166 T CA -0.140 62.166 62.100 0.344 0.000 1.001 166 T CB -0.321 68.790 68.868 0.406 0.000 1.005 166 T HN 0.488 nan 8.240 nan 0.000 0.599 167 M N 3.427 123.131 119.600 0.172 0.000 2.277 167 M HA 0.448 4.928 4.480 -0.000 0.000 0.282 167 M C -0.567 175.738 176.300 0.009 0.000 1.074 167 M CA -0.524 54.779 55.300 0.006 0.000 0.954 167 M CB 1.385 33.797 32.600 -0.315 0.000 1.672 167 M HN 0.174 nan 8.290 nan 0.000 0.471 168 N N 1.909 120.627 118.700 0.031 0.000 2.559 168 N HA 0.178 4.918 4.740 -0.000 0.000 0.247 168 N C 1.062 176.540 175.510 -0.053 0.000 1.063 168 N CA 0.758 53.791 53.050 -0.029 0.000 0.876 168 N CB 0.399 38.850 38.487 -0.059 0.000 1.608 168 N HN 0.791 nan 8.380 nan 0.000 0.467 169 G N 1.545 110.314 108.800 -0.052 0.000 2.575 169 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 169 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 169 G C 0.928 175.773 174.900 -0.092 0.000 1.262 169 G CA 1.052 46.086 45.100 -0.111 0.000 0.807 169 G HN 0.347 nan 8.290 nan 0.000 0.567 170 A N 0.108 122.858 122.820 -0.116 0.000 2.840 170 A HA 0.541 4.861 4.320 -0.000 0.000 0.269 170 A C 1.751 179.263 177.584 -0.120 0.000 1.439 170 A CA 0.248 52.219 52.037 -0.110 0.000 1.083 170 A CB -0.154 18.747 19.000 -0.165 0.000 1.019 170 A HN 0.383 nan 8.150 nan 0.000 0.607 171 V N -0.102 119.761 119.914 -0.086 0.000 2.343 171 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 171 V C 2.222 178.265 176.094 -0.086 0.000 1.051 171 V CA 2.360 64.605 62.300 -0.092 0.000 1.036 171 V CB -0.452 31.331 31.823 -0.065 0.000 0.654 171 V HN 0.748 nan 8.190 nan 0.000 0.451 172 L N 0.773 121.961 121.223 -0.058 0.000 1.955 172 L HA -0.104 4.236 4.340 -0.000 0.000 0.213 172 L C 0.264 177.081 176.870 -0.089 0.000 1.072 172 L CA 2.435 57.230 54.840 -0.075 0.000 0.755 172 L CB -2.044 39.987 42.059 -0.047 0.000 0.888 172 L HN 0.348 nan 8.230 nan 0.000 0.432 173 P HA -0.160 nan 4.420 nan 0.000 0.219 173 P C 1.825 179.076 177.300 -0.083 0.000 1.150 173 P CA 1.425 64.481 63.100 -0.075 0.000 0.814 173 P CB 0.009 31.671 31.700 -0.064 0.000 0.787 174 I N -0.556 119.940 120.570 -0.124 0.000 2.193 174 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 174 I C 2.463 178.551 176.117 -0.049 0.000 1.084 174 I CA 0.930 62.144 61.300 -0.143 0.000 1.365 174 I CB -1.566 36.205 38.000 -0.382 0.000 1.064 174 I HN -0.055 nan 8.210 nan 0.000 0.410 175 L N 1.558 122.736 121.223 -0.076 0.000 2.042 175 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 175 L C 2.570 179.387 176.870 -0.089 0.000 1.076 175 L CA 2.172 56.965 54.840 -0.078 0.000 0.749 175 L CB -0.964 41.022 42.059 -0.122 0.000 0.893 175 L HN 0.199 nan 8.230 nan 0.000 0.432 176 A N -0.499 122.253 122.820 -0.112 0.000 1.883 176 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 176 A C 2.284 179.830 177.584 -0.064 0.000 1.186 176 A CA 2.127 54.090 52.037 -0.123 0.000 0.624 176 A CB -0.978 17.956 19.000 -0.110 0.000 0.822 176 A HN 0.500 nan 8.150 nan 0.000 0.444 177 L N -2.225 118.989 121.223 -0.016 0.000 2.131 177 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 177 L C 2.554 179.459 176.870 0.059 0.000 1.092 177 L CA 1.527 56.383 54.840 0.026 0.000 0.759 177 L CB -0.524 41.567 42.059 0.053 0.000 0.903 177 L HN 0.615 nan 8.230 nan 0.000 0.435 178 Y N 0.141 120.419 120.300 -0.037 0.000 2.133 178 Y HA -0.213 4.337 4.550 -0.000 0.000 0.287 178 Y C 2.396 178.208 175.900 -0.146 0.000 1.134 178 Y CA 1.608 59.660 58.100 -0.079 0.000 1.133 178 Y CB -0.241 38.151 38.460 -0.113 0.000 0.987 178 Y HN -0.178 nan 8.280 nan 0.000 0.502 179 V N -0.859 118.987 119.914 -0.114 0.000 2.343 179 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 179 V C 2.317 178.318 176.094 -0.155 0.000 1.051 179 V CA 1.691 63.889 62.300 -0.170 0.000 1.036 179 V CB -0.811 30.935 31.823 -0.127 0.000 0.654 179 V HN 0.347 nan 8.190 nan 0.000 0.451 180 V N -0.157 119.692 119.914 -0.108 0.000 2.295 180 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 180 V C 2.575 178.614 176.094 -0.092 0.000 1.049 180 V CA 2.634 64.889 62.300 -0.076 0.000 1.024 180 V CB -1.111 30.685 31.823 -0.045 0.000 0.648 180 V HN 0.605 nan 8.190 nan 0.000 0.447 181 T N 0.498 114.983 114.554 -0.114 0.000 2.720 181 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 181 T C 2.057 176.639 174.700 -0.198 0.000 1.037 181 T CA 1.760 63.789 62.100 -0.118 0.000 1.144 181 T CB -0.508 68.294 68.868 -0.110 0.000 0.864 181 T HN 0.583 nan 8.240 nan 0.000 0.444 182 A N 1.472 124.083 122.820 -0.349 0.000 1.841 182 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 182 A C 2.195 179.689 177.584 -0.150 0.000 1.199 182 A CA 2.178 54.036 52.037 -0.297 0.000 0.621 182 A CB -0.988 17.804 19.000 -0.347 0.000 0.835 182 A HN 0.619 nan 8.150 nan 0.000 0.445 183 E N -0.176 119.954 120.200 -0.117 0.000 2.113 183 E HA -0.317 4.033 4.350 -0.000 0.000 0.210 183 E C 1.898 178.470 176.600 -0.048 0.000 1.040 183 E CA 1.971 58.332 56.400 -0.065 0.000 0.847 183 E CB -0.282 29.386 29.700 -0.052 0.000 0.755 183 E HN 0.740 nan 8.360 nan 0.000 0.459 184 E N -0.205 119.969 120.200 -0.042 0.000 2.187 184 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 184 E C 2.073 178.662 176.600 -0.020 0.000 1.004 184 E CA 1.284 57.670 56.400 -0.022 0.000 0.813 184 E CB -0.115 29.579 29.700 -0.010 0.000 0.736 184 E HN 0.485 nan 8.360 nan 0.000 0.468 185 Q N -0.767 119.015 119.800 -0.030 0.000 2.444 185 Q HA 0.062 4.402 4.340 -0.000 0.000 0.206 185 Q C 0.888 176.876 176.000 -0.021 0.000 0.948 185 Q CA 0.457 56.247 55.803 -0.022 0.000 0.946 185 Q CB 0.791 29.511 28.738 -0.031 0.000 1.027 185 Q HN 0.389 nan 8.270 nan 0.000 0.513 186 G N 0.800 109.586 108.800 -0.023 0.000 2.149 186 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 186 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 186 G C -0.129 174.758 174.900 -0.020 0.000 1.018 186 G CA -0.076 45.014 45.100 -0.018 0.000 0.728 186 G HN 0.197 nan 8.290 nan 0.000 0.508 187 V N 0.888 120.781 119.914 -0.035 0.000 2.398 187 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 187 V C 0.716 176.789 176.094 -0.035 0.000 1.026 187 V CA -0.778 61.502 62.300 -0.033 0.000 0.868 187 V CB 1.588 33.382 31.823 -0.048 0.000 0.982 187 V HN 0.352 nan 8.190 nan 0.000 0.443 188 K N 5.453 125.843 120.400 -0.016 0.000 2.107 188 K HA 0.328 4.648 4.320 -0.000 0.000 0.251 188 K C -1.650 174.947 176.600 -0.005 0.000 1.012 188 K CA -1.550 54.731 56.287 -0.011 0.000 0.920 188 K CB 0.725 33.224 32.500 -0.002 0.000 1.033 188 K HN 0.281 nan 8.250 nan 0.000 0.478 189 P HA -0.242 nan 4.420 nan 0.000 0.216 189 P C 0.816 178.134 177.300 0.031 0.000 1.150 189 P CA 1.383 64.490 63.100 0.013 0.000 0.843 189 P CB 0.100 31.824 31.700 0.040 0.000 0.787 190 E N 0.372 120.588 120.200 0.026 0.000 2.347 190 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 190 E C 1.338 177.976 176.600 0.063 0.000 1.008 190 E CA 0.961 57.385 56.400 0.040 0.000 0.852 190 E CB -0.799 28.912 29.700 0.019 0.000 0.783 190 E HN 0.441 nan 8.360 nan 0.000 0.505 191 Q N 0.528 120.365 119.800 0.061 0.000 2.360 191 Q HA 0.260 4.600 4.340 -0.000 0.000 0.202 191 Q C 0.365 176.431 176.000 0.111 0.000 0.915 191 Q CA -0.088 55.756 55.803 0.068 0.000 0.943 191 Q CB 0.438 29.201 28.738 0.041 0.000 1.064 191 Q HN 0.222 nan 8.270 nan 0.000 0.511 192 L N 1.798 123.119 121.223 0.163 0.000 2.283 192 L HA 0.363 4.703 4.340 -0.000 0.000 0.287 192 L C -0.185 176.943 176.870 0.431 0.000 1.073 192 L CA -0.730 54.290 54.840 0.299 0.000 0.822 192 L CB 0.634 42.860 42.059 0.279 0.000 1.186 192 L HN 0.016 nan 8.230 nan 0.000 0.436 193 A N 3.316 126.323 122.820 0.312 0.000 2.276 193 A HA 0.884 5.204 4.320 -0.000 0.000 0.316 193 A C 0.325 177.908 177.584 -0.002 0.000 1.229 193 A CA 0.204 52.332 52.037 0.152 0.000 0.851 193 A CB 1.140 20.175 19.000 0.058 0.000 1.165 193 A HN 0.832 nan 8.150 nan 0.000 0.513 194 G N 0.193 108.736 108.800 -0.429 0.000 2.323 194 G HA2 0.530 4.490 3.960 -0.000 0.000 0.291 194 G HA3 0.530 4.490 3.960 -0.000 0.000 0.291 194 G C -0.976 172.946 174.900 -1.631 0.000 1.278 194 G CA 0.010 44.502 45.100 -1.013 0.000 0.860 194 G HN 0.984 nan 8.290 nan 0.000 0.504 195 T N -0.134 113.521 114.554 -1.499 0.000 2.916 195 T HA 0.592 4.942 4.350 -0.000 0.000 0.305 195 T C -1.361 173.058 174.700 -0.468 0.000 1.119 195 T CA -0.245 61.251 62.100 -1.006 0.000 1.008 195 T CB 2.010 70.557 68.868 -0.534 0.000 1.129 195 T HN 0.909 nan 8.240 nan 0.000 0.480 196 I N 2.164 122.674 120.570 -0.099 0.000 2.433 196 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 196 I C 1.318 177.439 176.117 0.006 0.000 1.001 196 I CA -0.519 60.863 61.300 0.137 0.000 1.119 196 I CB 1.878 40.099 38.000 0.368 0.000 1.289 196 I HN 0.771 nan 8.210 nan 0.000 0.438 197 Q N 4.621 124.419 119.800 -0.003 0.000 1.993 197 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 197 Q C 0.684 176.649 176.000 -0.058 0.000 0.984 197 Q CA 1.876 57.660 55.803 -0.031 0.000 0.837 197 Q CB -0.033 28.715 28.738 0.016 0.000 0.902 197 Q HN 0.804 nan 8.270 nan 0.000 0.423 198 N N 1.303 119.970 118.700 -0.055 0.000 2.708 198 N HA -0.193 4.547 4.740 -0.000 0.000 0.251 198 N C -1.872 173.526 175.510 -0.186 0.000 1.017 198 N CA 1.162 54.145 53.050 -0.111 0.000 0.742 198 N CB -0.982 37.443 38.487 -0.103 0.000 0.943 198 N HN 0.391 nan 8.380 nan 0.000 0.539 199 D N -0.078 120.242 120.400 -0.133 0.000 2.464 199 D HA 0.243 4.883 4.640 -0.000 0.000 0.243 199 D C 0.868 177.173 176.300 0.009 0.000 1.104 199 D CA -0.581 53.369 54.000 -0.083 0.000 0.883 199 D CB 0.167 40.946 40.800 -0.035 0.000 1.050 199 D HN 0.214 nan 8.370 nan 0.000 0.524 200 I N 3.602 124.221 120.570 0.081 0.000 2.716 200 I HA 0.005 4.175 4.170 -0.000 0.000 0.259 200 I C 1.963 178.118 176.117 0.063 0.000 1.172 200 I CA 0.534 61.836 61.300 0.003 0.000 1.478 200 I CB 0.177 38.187 38.000 0.017 0.000 1.104 200 I HN 0.471 nan 8.210 nan 0.000 0.439 201 L N 0.552 121.908 121.223 0.222 0.000 2.042 201 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 201 L C 2.359 179.300 176.870 0.118 0.000 1.076 201 L CA 1.865 56.813 54.840 0.181 0.000 0.749 201 L CB -0.938 41.147 42.059 0.044 0.000 0.893 201 L HN 0.290 nan 8.230 nan 0.000 0.432 202 K N -0.704 119.736 120.400 0.067 0.000 2.296 202 K HA -0.080 4.240 4.320 -0.000 0.000 0.200 202 K C 1.687 178.264 176.600 -0.039 0.000 1.048 202 K CA 0.788 57.089 56.287 0.024 0.000 0.966 202 K CB -0.192 32.327 32.500 0.032 0.000 0.754 202 K HN 0.143 nan 8.250 nan 0.000 0.466 203 E N 0.679 120.812 120.200 -0.111 0.000 2.047 203 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 203 E C 1.827 178.398 176.600 -0.047 0.000 0.987 203 E CA 1.200 57.502 56.400 -0.164 0.000 0.799 203 E CB -0.380 29.144 29.700 -0.292 0.000 0.752 203 E HN 0.362 nan 8.360 nan 0.000 0.449 204 F N 0.799 120.803 119.950 0.091 0.000 2.102 204 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 204 F C 2.629 178.442 175.800 0.022 0.000 1.105 204 F CA 1.025 59.013 58.000 -0.021 0.000 1.239 204 F CB -0.607 38.257 39.000 -0.226 0.000 0.991 204 F HN -0.008 nan 8.300 nan 0.000 0.474 205 M N -0.018 119.680 119.600 0.163 0.000 2.086 205 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 205 M C 1.576 177.922 176.300 0.076 0.000 1.067 205 M CA 2.345 57.694 55.300 0.083 0.000 1.116 205 M CB 0.047 32.665 32.600 0.029 0.000 1.348 205 M HN 0.134 nan 8.290 nan 0.000 0.407 206 V N -5.680 114.270 119.914 0.060 0.000 3.213 206 V HA 0.205 4.325 4.120 -0.000 0.000 0.260 206 V C 1.612 177.710 176.094 0.007 0.000 1.663 206 V CA -0.057 62.267 62.300 0.041 0.000 1.026 206 V CB -0.400 31.447 31.823 0.040 0.000 0.874 206 V HN 0.365 nan 8.190 nan 0.000 0.410 207 R N 0.891 121.366 120.500 -0.041 0.000 2.200 207 R HA 0.126 4.466 4.340 -0.000 0.000 0.208 207 R C 0.468 176.689 176.300 -0.133 0.000 1.033 207 R CA 0.831 56.861 56.100 -0.116 0.000 1.000 207 R CB 0.061 30.214 30.300 -0.244 0.000 0.906 207 R HN 0.632 nan 8.270 nan 0.000 0.462 208 N N 0.846 119.502 118.700 -0.074 0.000 2.740 208 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 208 N C -0.517 174.776 175.510 -0.361 0.000 1.062 208 N CA 1.614 54.566 53.050 -0.163 0.000 0.704 208 N CB -1.495 36.950 38.487 -0.070 0.000 0.968 208 N HN 0.513 nan 8.380 nan 0.000 0.547 209 T N -3.644 110.652 114.554 -0.430 0.000 3.442 209 T HA 0.246 4.596 4.350 -0.000 0.000 0.295 209 T C 0.445 174.914 174.700 -0.385 0.000 1.007 209 T CA -0.716 61.154 62.100 -0.383 0.000 0.962 209 T CB -0.328 68.348 68.868 -0.320 0.000 1.187 209 T HN 0.267 nan 8.240 nan 0.000 0.490 210 Y N -0.146 120.007 120.300 -0.244 0.000 2.296 210 Y HA 0.712 5.262 4.550 -0.000 0.000 0.343 210 Y C 0.923 176.652 175.900 -0.284 0.000 1.292 210 Y CA -1.765 56.102 58.100 -0.388 0.000 1.490 210 Y CB 0.336 38.353 38.460 -0.738 0.000 1.359 210 Y HN -0.001 nan 8.280 nan 0.000 0.599 211 I N -1.605 118.884 120.570 -0.135 0.000 3.674 211 I HA 0.098 4.268 4.170 -0.000 0.000 0.248 211 I C -0.327 175.650 176.117 -0.233 0.000 1.134 211 I CA -0.507 60.540 61.300 -0.421 0.000 1.519 211 I CB 0.078 37.455 38.000 -1.038 0.000 1.598 211 I HN 0.425 nan 8.210 nan 0.000 0.442 212 Y N 2.184 122.577 120.300 0.155 0.000 2.326 212 Y HA 0.343 4.893 4.550 -0.000 0.000 0.324 212 Y C -2.230 173.783 175.900 0.189 0.000 1.291 212 Y CA -3.148 55.045 58.100 0.154 0.000 1.348 212 Y CB -0.948 37.529 38.460 0.029 0.000 1.294 212 Y HN -0.064 nan 8.280 nan 0.000 0.525 213 P HA 0.060 nan 4.420 nan 0.000 0.271 213 P C -2.067 175.183 177.300 -0.084 0.000 1.233 213 P CA -1.155 61.984 63.100 0.065 0.000 0.789 213 P CB 0.233 32.010 31.700 0.128 0.000 0.951 214 P HA -0.266 nan 4.420 nan 0.000 0.215 214 P C 1.687 178.863 177.300 -0.207 0.000 1.163 214 P CA 1.711 64.533 63.100 -0.464 0.000 0.894 214 P CB -0.210 31.017 31.700 -0.789 0.000 0.791 215 Q N -0.779 118.901 119.800 -0.200 0.000 2.002 215 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 215 Q C -0.621 175.245 176.000 -0.223 0.000 0.988 215 Q CA 2.803 58.505 55.803 -0.169 0.000 0.843 215 Q CB -2.017 26.640 28.738 -0.134 0.000 0.908 215 Q HN 0.205 nan 8.270 nan 0.000 0.420 216 P HA -0.062 nan 4.420 nan 0.000 0.215 216 P C 1.518 178.498 177.300 -0.533 0.000 1.153 216 P CA 1.451 64.109 63.100 -0.736 0.000 0.853 216 P CB -0.238 30.683 31.700 -1.299 0.000 0.788 217 S N -0.778 114.783 115.700 -0.231 0.000 2.359 217 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 217 S C 1.961 176.523 174.600 -0.063 0.000 1.035 217 S CA 1.322 59.496 58.200 -0.042 0.000 1.018 217 S CB -0.746 62.544 63.200 0.151 0.000 0.876 217 S HN 0.054 nan 8.310 nan 0.000 0.448 218 M N 0.991 120.555 119.600 -0.060 0.000 2.117 218 M HA -0.032 4.448 4.480 -0.000 0.000 0.262 218 M C 2.231 178.464 176.300 -0.112 0.000 1.065 218 M CA 1.298 56.572 55.300 -0.043 0.000 1.114 218 M CB -1.226 31.355 32.600 -0.033 0.000 1.361 218 M HN 0.308 nan 8.290 nan 0.000 0.408 219 R N 0.702 121.107 120.500 -0.159 0.000 2.081 219 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 219 R C 2.072 178.271 176.300 -0.168 0.000 1.131 219 R CA 1.357 57.363 56.100 -0.158 0.000 0.960 219 R CB -0.367 29.834 30.300 -0.166 0.000 0.856 219 R HN 0.314 nan 8.270 nan 0.000 0.436 220 I N 0.886 121.342 120.570 -0.189 0.000 2.163 220 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 220 I C 2.363 178.360 176.117 -0.200 0.000 1.085 220 I CA 1.398 62.606 61.300 -0.153 0.000 1.347 220 I CB -0.221 37.707 38.000 -0.120 0.000 1.044 220 I HN 0.223 nan 8.210 nan 0.000 0.408 221 I N 0.455 120.863 120.570 -0.268 0.000 2.127 221 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 221 I C 2.816 178.482 176.117 -0.751 0.000 1.075 221 I CA 1.959 62.957 61.300 -0.503 0.000 1.334 221 I CB -0.509 37.222 38.000 -0.449 0.000 1.040 221 I HN 0.348 nan 8.210 nan 0.000 0.405 222 S N 0.397 115.801 115.700 -0.494 0.000 2.419 222 S HA -0.202 4.268 4.470 -0.000 0.000 0.235 222 S C 1.716 176.224 174.600 -0.155 0.000 1.019 222 S CA 1.271 59.290 58.200 -0.303 0.000 0.982 222 S CB -0.470 62.657 63.200 -0.122 0.000 0.789 222 S HN 0.506 nan 8.310 nan 0.000 0.490 223 E N 0.618 120.738 120.200 -0.132 0.000 2.158 223 E HA 0.088 4.438 4.350 -0.000 0.000 0.191 223 E C 1.974 178.575 176.600 0.003 0.000 0.982 223 E CA 0.889 57.262 56.400 -0.046 0.000 0.823 223 E CB -0.218 29.454 29.700 -0.046 0.000 0.766 223 E HN 0.597 nan 8.360 nan 0.000 0.468 224 I N 0.641 121.173 120.570 -0.064 0.000 2.286 224 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 224 I C 1.998 178.213 176.117 0.163 0.000 1.104 224 I CA 0.773 62.078 61.300 0.008 0.000 1.397 224 I CB -0.145 37.808 38.000 -0.078 0.000 1.072 224 I HN -0.010 nan 8.210 nan 0.000 0.417 225 F N 1.252 121.208 119.950 0.011 0.000 2.046 225 F HA -0.251 4.276 4.527 0.000 0.000 0.297 225 F C 2.700 178.487 175.800 -0.020 0.000 1.123 225 F CA 1.142 59.131 58.000 -0.018 0.000 1.199 225 F CB -1.634 37.258 39.000 -0.180 0.000 0.972 225 F HN 0.041 nan 8.300 nan 0.000 0.474 226 A N -0.837 122.066 122.820 0.138 0.000 1.883 226 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 226 A C 2.217 179.864 177.584 0.106 0.000 1.186 226 A CA 1.865 53.947 52.037 0.076 0.000 0.624 226 A CB -1.637 17.391 19.000 0.047 0.000 0.822 226 A HN 0.456 nan 8.150 nan 0.000 0.444 227 Y N 1.584 121.902 120.300 0.029 0.000 2.114 227 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 227 Y C 3.050 178.973 175.900 0.039 0.000 1.143 227 Y CA 2.868 60.979 58.100 0.019 0.000 1.135 227 Y CB -0.689 37.766 38.460 -0.008 0.000 0.980 227 Y HN 0.488 nan 8.280 nan 0.000 0.499 228 T N -2.860 111.844 114.554 0.250 0.000 2.684 228 T HA -0.264 4.086 4.350 -0.000 0.000 0.267 228 T C 2.215 176.978 174.700 0.106 0.000 1.036 228 T CA 1.691 63.909 62.100 0.196 0.000 1.148 228 T CB -1.214 67.838 68.868 0.307 0.000 0.863 228 T HN 0.350 nan 8.240 nan 0.000 0.436 229 S N 1.501 117.270 115.700 0.115 0.000 2.370 229 S HA -0.033 4.437 4.470 -0.000 0.000 0.226 229 S C 2.408 177.017 174.600 0.015 0.000 1.033 229 S CA 1.486 59.739 58.200 0.088 0.000 1.011 229 S CB -0.954 62.310 63.200 0.107 0.000 0.852 229 S HN 0.776 nan 8.310 nan 0.000 0.457 230 A N 1.224 124.014 122.820 -0.051 0.000 1.930 230 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 230 A C 1.918 179.407 177.584 -0.159 0.000 1.176 230 A CA 1.197 53.175 52.037 -0.097 0.000 0.632 230 A CB -0.289 18.637 19.000 -0.123 0.000 0.819 230 A HN 0.655 nan 8.150 nan 0.000 0.445 231 N N -1.752 116.776 118.700 -0.287 0.000 2.227 231 N HA 0.244 4.984 4.740 -0.000 0.000 0.196 231 N C -0.395 175.029 175.510 -0.143 0.000 1.142 231 N CA 0.268 53.142 53.050 -0.294 0.000 0.887 231 N CB 0.726 38.804 38.487 -0.681 0.000 1.022 231 N HN 0.376 nan 8.380 nan 0.000 0.500 232 M N 1.344 120.916 119.600 -0.046 0.000 1.949 232 M HA 0.262 4.742 4.480 -0.000 0.000 0.234 232 M C -2.078 174.307 176.300 0.141 0.000 0.855 232 M CA -1.490 53.855 55.300 0.075 0.000 0.800 232 M CB 2.554 35.220 32.600 0.110 0.000 1.697 232 M HN -0.227 nan 8.290 nan 0.000 0.357 233 P HA -0.091 nan 4.420 nan 0.000 0.222 233 P C 0.391 177.763 177.300 0.121 0.000 1.147 233 P CA 1.244 64.404 63.100 0.101 0.000 0.790 233 P CB 0.158 31.898 31.700 0.065 0.000 0.780 234 K N -2.457 118.034 120.400 0.151 0.000 2.374 234 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 234 K C 0.630 177.342 176.600 0.186 0.000 1.023 234 K CA -0.222 56.148 56.287 0.139 0.000 1.103 234 K CB 0.143 32.719 32.500 0.128 0.000 0.848 234 K HN 0.181 nan 8.250 nan 0.000 0.528 235 W N 2.985 124.310 121.300 0.043 0.000 2.316 235 W HA 0.179 4.839 4.660 0.000 0.000 0.311 235 W C -0.772 175.767 176.519 0.033 0.000 1.217 235 W CA -0.361 57.007 57.345 0.038 0.000 1.199 235 W CB 0.635 30.131 29.460 0.061 0.000 1.202 235 W HN -0.004 nan 8.180 nan 0.000 0.528 236 N N 3.138 121.582 118.700 -0.427 0.000 2.422 236 N HA -0.041 4.699 4.740 -0.000 0.000 0.264 236 N C 1.019 176.464 175.510 -0.108 0.000 1.063 236 N CA 0.242 53.157 53.050 -0.226 0.000 0.959 236 N CB 1.592 39.905 38.487 -0.290 0.000 1.087 236 N HN 0.373 nan 8.380 nan 0.000 0.483 237 S N 1.812 117.593 115.700 0.134 0.000 2.562 237 S HA 0.150 4.620 4.470 -0.000 0.000 0.221 237 S C 0.750 175.485 174.600 0.225 0.000 0.975 237 S CA 0.132 58.519 58.200 0.311 0.000 0.918 237 S CB 0.249 63.723 63.200 0.457 0.000 0.772 237 S HN 0.659 nan 8.310 nan 0.000 0.531 238 I N -0.509 120.100 120.570 0.065 0.000 2.882 238 I HA 0.397 4.567 4.170 -0.000 0.000 0.298 238 I C -1.699 174.311 176.117 -0.178 0.000 1.462 238 I CA -0.456 60.806 61.300 -0.063 0.000 1.000 238 I CB 2.003 39.970 38.000 -0.056 0.000 1.340 238 I HN -0.018 nan 8.210 nan 0.000 0.462 239 S N 6.951 122.531 115.700 -0.200 0.000 2.252 239 S HA 0.534 5.004 4.470 -0.000 0.000 0.187 239 S C -0.579 173.900 174.600 -0.202 0.000 1.587 239 S CA -0.528 57.553 58.200 -0.199 0.000 1.215 239 S CB -0.145 62.973 63.200 -0.136 0.000 1.085 239 S HN 0.389 nan 8.310 nan 0.000 0.466 240 I N 3.926 124.230 120.570 -0.443 0.000 2.576 240 I HA 0.097 4.267 4.170 -0.000 0.000 0.288 240 I C 0.472 176.425 176.117 -0.273 0.000 1.126 240 I CA 0.358 61.408 61.300 -0.417 0.000 1.362 240 I CB 0.399 37.920 38.000 -0.798 0.000 1.419 240 I HN 0.404 nan 8.210 nan 0.000 0.533 241 S N 4.191 119.862 115.700 -0.047 0.000 2.525 241 S HA 0.542 5.012 4.470 -0.000 0.000 0.290 241 S C 0.950 175.556 174.600 0.011 0.000 1.152 241 S CA -0.584 57.610 58.200 -0.009 0.000 1.072 241 S CB 1.860 65.205 63.200 0.242 0.000 1.027 241 S HN 0.811 nan 8.310 nan 0.000 0.500 242 G N -0.110 108.632 108.800 -0.096 0.000 2.833 242 G HA2 0.019 3.979 3.960 -0.000 0.000 0.214 242 G HA3 0.019 3.979 3.960 -0.000 0.000 0.214 242 G C 0.840 175.715 174.900 -0.042 0.000 1.075 242 G CA -0.217 44.935 45.100 0.086 0.000 0.799 242 G HN 0.694 nan 8.290 nan 0.000 0.541 243 Y N 2.142 122.124 120.300 -0.530 0.000 2.069 243 Y HA -0.334 4.216 4.550 -0.000 0.000 0.278 243 Y C 2.700 178.304 175.900 -0.492 0.000 1.175 243 Y CA 2.669 60.347 58.100 -0.705 0.000 1.134 243 Y CB -0.315 37.170 38.460 -1.624 0.000 0.965 243 Y HN 0.412 nan 8.280 nan 0.000 0.498 244 H N -0.882 118.059 119.070 -0.216 0.000 2.352 244 H HA -0.195 4.361 4.556 0.000 0.000 0.299 244 H C 2.199 177.432 175.328 -0.158 0.000 1.097 244 H CA 2.103 58.061 56.048 -0.149 0.000 1.311 244 H CB -0.482 29.266 29.762 -0.023 0.000 1.377 244 H HN 0.393 nan 8.280 nan 0.000 0.504 245 M N 0.138 119.741 119.600 0.005 0.000 2.117 245 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 245 M C 2.458 178.692 176.300 -0.110 0.000 1.065 245 M CA 1.672 56.971 55.300 -0.002 0.000 1.114 245 M CB -0.221 32.428 32.600 0.082 0.000 1.361 245 M HN 0.323 nan 8.290 nan 0.000 0.408 246 Q N 0.560 120.250 119.800 -0.183 0.000 2.079 246 Q HA -0.172 4.168 4.340 -0.000 0.000 0.200 246 Q C 1.807 177.615 176.000 -0.321 0.000 0.974 246 Q CA 1.191 56.854 55.803 -0.234 0.000 0.840 246 Q CB 0.164 28.767 28.738 -0.225 0.000 0.898 246 Q HN 0.388 nan 8.270 nan 0.000 0.430 247 E N -0.010 119.953 120.200 -0.395 0.000 2.204 247 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 247 E C 1.618 178.072 176.600 -0.244 0.000 0.989 247 E CA 1.012 57.223 56.400 -0.315 0.000 0.824 247 E CB -0.062 29.433 29.700 -0.341 0.000 0.756 247 E HN 0.460 nan 8.360 nan 0.000 0.477 248 A N -0.167 122.539 122.820 -0.190 0.000 2.123 248 A HA 0.253 4.573 4.320 -0.000 0.000 0.214 248 A C 1.749 179.204 177.584 -0.216 0.000 1.152 248 A CA 1.340 53.293 52.037 -0.140 0.000 0.728 248 A CB 0.169 19.132 19.000 -0.061 0.000 0.814 248 A HN 0.315 nan 8.150 nan 0.000 0.464 249 G N -2.650 105.975 108.800 -0.291 0.000 2.370 249 G HA2 0.272 4.232 3.960 -0.000 0.000 0.174 249 G HA3 0.272 4.232 3.960 -0.000 0.000 0.174 249 G C 0.342 175.096 174.900 -0.243 0.000 1.002 249 G CA 0.004 44.906 45.100 -0.330 0.000 0.730 249 G HN 1.285 nan 8.290 nan 0.000 0.497 250 A N 1.154 123.862 122.820 -0.186 0.000 2.483 250 A HA 0.620 4.940 4.320 -0.000 0.000 0.238 250 A C 1.179 178.657 177.584 -0.177 0.000 1.070 250 A CA 1.219 53.156 52.037 -0.166 0.000 0.770 250 A CB 0.031 18.950 19.000 -0.136 0.000 1.008 250 A HN 1.673 nan 8.150 nan 0.000 0.497 251 T N -0.620 113.832 114.554 -0.171 0.000 2.788 251 T HA 0.478 4.828 4.350 -0.000 0.000 0.287 251 T C 1.437 176.047 174.700 -0.150 0.000 1.007 251 T CA -0.044 61.967 62.100 -0.148 0.000 1.005 251 T CB 0.944 69.733 68.868 -0.131 0.000 1.012 251 T HN 1.289 nan 8.240 nan 0.000 0.530 252 A N 1.540 124.277 122.820 -0.138 0.000 1.892 252 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 252 A C 2.132 179.625 177.584 -0.153 0.000 1.188 252 A CA 2.026 53.971 52.037 -0.155 0.000 0.631 252 A CB -1.151 17.747 19.000 -0.169 0.000 0.822 252 A HN 1.026 nan 8.150 nan 0.000 0.447 253 D N -0.225 120.104 120.400 -0.117 0.000 2.178 253 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 253 D C 1.769 178.035 176.300 -0.057 0.000 0.974 253 D CA 1.137 55.108 54.000 -0.047 0.000 0.841 253 D CB -0.406 40.411 40.800 0.029 0.000 0.953 253 D HN 0.376 nan 8.370 nan 0.000 0.478 254 I N 1.338 121.760 120.570 -0.246 0.000 2.333 254 I HA -0.129 4.041 4.170 -0.000 0.000 0.246 254 I C 2.581 178.445 176.117 -0.422 0.000 1.106 254 I CA 0.656 61.606 61.300 -0.582 0.000 1.411 254 I CB -0.936 36.669 38.000 -0.659 0.000 1.082 254 I HN 0.141 nan 8.210 nan 0.000 0.420 255 E N 1.066 121.156 120.200 -0.183 0.000 2.033 255 E HA -0.261 4.089 4.350 -0.000 0.000 0.199 255 E C 2.373 179.074 176.600 0.169 0.000 1.011 255 E CA 1.751 58.159 56.400 0.013 0.000 0.815 255 E CB -0.034 29.678 29.700 0.020 0.000 0.755 255 E HN 0.332 nan 8.360 nan 0.000 0.451 256 M N 0.385 120.017 119.600 0.054 0.000 2.065 256 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 256 M C 2.562 178.996 176.300 0.224 0.000 1.069 256 M CA 1.713 57.071 55.300 0.097 0.000 1.110 256 M CB -0.401 32.137 32.600 -0.104 0.000 1.328 256 M HN 0.242 nan 8.290 nan 0.000 0.405 257 A N 0.017 122.920 122.820 0.138 0.000 1.865 257 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 257 A C 1.948 179.718 177.584 0.311 0.000 1.191 257 A CA 1.680 53.833 52.037 0.194 0.000 0.623 257 A CB -1.121 17.958 19.000 0.131 0.000 0.826 257 A HN 0.466 nan 8.150 nan 0.000 0.444 258 Y N 0.719 121.090 120.300 0.119 0.000 2.200 258 Y HA -0.110 4.440 4.550 0.000 0.000 0.290 258 Y C 2.997 178.986 175.900 0.149 0.000 1.137 258 Y CA 1.248 59.407 58.100 0.098 0.000 1.163 258 Y CB -1.536 36.954 38.460 0.050 0.000 0.988 258 Y HN 0.324 nan 8.280 nan 0.000 0.518 259 T N 0.656 115.438 114.554 0.379 0.000 2.737 259 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 259 T C 2.251 177.181 174.700 0.384 0.000 1.038 259 T CA 1.208 63.506 62.100 0.329 0.000 1.144 259 T CB -0.585 68.493 68.868 0.351 0.000 0.866 259 T HN 0.184 nan 8.240 nan 0.000 0.434 260 L N 0.791 122.276 121.223 0.437 0.000 2.056 260 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 260 L C 3.063 180.215 176.870 0.470 0.000 1.078 260 L CA 1.124 56.261 54.840 0.496 0.000 0.749 260 L CB -0.688 41.657 42.059 0.476 0.000 0.901 260 L HN 0.233 nan 8.230 nan 0.000 0.433 261 A N -0.088 122.931 122.820 0.332 0.000 1.898 261 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 261 A C 1.915 179.604 177.584 0.175 0.000 1.181 261 A CA 1.826 54.001 52.037 0.229 0.000 0.620 261 A CB -0.504 18.596 19.000 0.168 0.000 0.819 261 A HN 0.323 nan 8.150 nan 0.000 0.442 262 D N -0.069 120.415 120.400 0.139 0.000 2.133 262 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 262 D C 2.069 178.377 176.300 0.013 0.000 0.997 262 D CA 1.543 55.533 54.000 -0.016 0.000 0.840 262 D CB -0.777 40.053 40.800 0.050 0.000 0.947 262 D HN 0.429 nan 8.370 nan 0.000 0.452 263 G N 0.570 109.554 108.800 0.307 0.000 2.440 263 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 263 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 263 G C 1.877 177.121 174.900 0.573 0.000 1.154 263 G CA 0.962 46.368 45.100 0.511 0.000 0.767 263 G HN 0.264 nan 8.290 nan 0.000 0.552 264 V N 1.131 121.338 119.914 0.489 0.000 2.343 264 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 264 V C 2.601 178.828 176.094 0.223 0.000 1.051 264 V CA 2.251 64.771 62.300 0.367 0.000 1.036 264 V CB -0.447 31.588 31.823 0.354 0.000 0.654 264 V HN 0.255 nan 8.190 nan 0.000 0.451 265 D N -0.879 119.572 120.400 0.084 0.000 2.097 265 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 265 D C 2.060 178.376 176.300 0.028 0.000 0.989 265 D CA 1.461 55.443 54.000 -0.030 0.000 0.827 265 D CB -0.344 40.342 40.800 -0.191 0.000 0.966 265 D HN 0.526 nan 8.370 nan 0.000 0.456 266 Y N 0.589 121.028 120.300 0.232 0.000 2.274 266 Y HA -0.043 4.507 4.550 -0.000 0.000 0.290 266 Y C 2.347 178.482 175.900 0.392 0.000 1.145 266 Y CA 0.260 58.576 58.100 0.359 0.000 1.203 266 Y CB -0.612 38.097 38.460 0.414 0.000 0.984 266 Y HN 0.044 nan 8.280 nan 0.000 0.533 267 I N -0.479 120.292 120.570 0.334 0.000 2.286 267 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 267 I C 2.353 178.563 176.117 0.155 0.000 1.104 267 I CA 1.139 62.526 61.300 0.146 0.000 1.397 267 I CB -0.323 37.373 38.000 -0.508 0.000 1.072 267 I HN 0.085 nan 8.210 nan 0.000 0.417 268 R N 0.821 121.394 120.500 0.122 0.000 2.081 268 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 268 R C 2.476 178.863 176.300 0.144 0.000 1.131 268 R CA 1.534 57.726 56.100 0.153 0.000 0.960 268 R CB -0.538 29.858 30.300 0.161 0.000 0.856 268 R HN 0.362 nan 8.270 nan 0.000 0.436 269 A N 0.723 123.651 122.820 0.180 0.000 1.908 269 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 269 A C 2.397 180.058 177.584 0.128 0.000 1.181 269 A CA 1.891 54.021 52.037 0.156 0.000 0.627 269 A CB -1.186 17.941 19.000 0.213 0.000 0.818 269 A HN 0.488 nan 8.150 nan 0.000 0.445 270 G N -0.832 108.050 108.800 0.137 0.000 2.408 270 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 270 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 270 G C 1.447 176.175 174.900 -0.286 0.000 1.150 270 G CA 0.885 45.761 45.100 -0.374 0.000 0.776 270 G HN 0.640 nan 8.290 nan 0.000 0.542 271 E N 0.808 120.999 120.200 -0.015 0.000 2.077 271 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 271 E C 2.886 179.507 176.600 0.035 0.000 0.989 271 E CA 1.301 57.739 56.400 0.063 0.000 0.800 271 E CB -0.156 29.629 29.700 0.140 0.000 0.746 271 E HN 0.561 nan 8.360 nan 0.000 0.452 272 S N 0.735 116.456 115.700 0.035 0.000 2.465 272 S HA -0.116 4.354 4.470 -0.000 0.000 0.241 272 S C 1.934 176.535 174.600 0.001 0.000 1.000 272 S CA 1.196 59.410 58.200 0.023 0.000 0.964 272 S CB -0.338 62.877 63.200 0.026 0.000 0.763 272 S HN 0.205 nan 8.310 nan 0.000 0.512 273 V N -2.791 117.111 119.914 -0.019 0.000 3.444 273 V HA 0.724 4.844 4.120 -0.000 0.000 0.308 273 V C 1.334 177.414 176.094 -0.024 0.000 1.371 273 V CA 0.070 62.354 62.300 -0.027 0.000 1.141 273 V CB -0.859 30.941 31.823 -0.038 0.000 1.037 273 V HN 0.763 nan 8.190 nan 0.000 0.433 274 G N 0.673 109.465 108.800 -0.012 0.000 2.157 274 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 274 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 274 G C -0.095 174.809 174.900 0.006 0.000 0.979 274 G CA 0.287 45.390 45.100 0.004 0.000 0.650 274 G HN 0.581 nan 8.290 nan 0.000 0.529 275 L N 1.145 122.349 121.223 -0.032 0.000 2.349 275 L HA 0.310 4.650 4.340 -0.000 0.000 0.275 275 L C 1.093 178.032 176.870 0.116 0.000 1.115 275 L CA -0.790 54.049 54.840 -0.003 0.000 0.820 275 L CB 0.802 42.751 42.059 -0.184 0.000 1.135 275 L HN 0.307 nan 8.230 nan 0.000 0.445 276 N N 1.584 120.372 118.700 0.148 0.000 2.444 276 N HA -0.030 4.710 4.740 -0.000 0.000 0.255 276 N C 0.896 176.562 175.510 0.260 0.000 1.255 276 N CA -0.047 53.100 53.050 0.163 0.000 0.933 276 N CB 1.624 40.179 38.487 0.113 0.000 1.143 276 N HN 0.472 nan 8.380 nan 0.000 0.453 277 V N 2.423 122.444 119.914 0.179 0.000 2.332 277 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 277 V C 1.383 177.403 176.094 -0.123 0.000 1.055 277 V CA 2.008 64.306 62.300 -0.004 0.000 1.038 277 V CB -0.487 31.280 31.823 -0.093 0.000 0.651 277 V HN 0.669 nan 8.190 nan 0.000 0.450 278 D N -0.699 119.696 120.400 -0.009 0.000 2.309 278 D HA -0.173 4.467 4.640 -0.000 0.000 0.212 278 D C 2.134 178.456 176.300 0.037 0.000 0.968 278 D CA 1.152 55.152 54.000 -0.001 0.000 0.882 278 D CB -0.097 40.724 40.800 0.035 0.000 0.918 278 D HN 0.643 nan 8.370 nan 0.000 0.503 279 Q N -0.872 119.003 119.800 0.125 0.000 2.389 279 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 279 Q C 1.216 177.353 176.000 0.228 0.000 0.944 279 Q CA 0.549 56.449 55.803 0.161 0.000 0.908 279 Q CB 0.188 29.027 28.738 0.168 0.000 1.002 279 Q HN 0.464 nan 8.270 nan 0.000 0.493 280 F N -4.073 115.843 119.950 -0.057 0.000 2.912 280 F HA 0.555 5.082 4.527 0.000 0.000 0.357 280 F C 1.579 177.293 175.800 -0.143 0.000 1.003 280 F CA 0.024 57.952 58.000 -0.120 0.000 1.132 280 F CB -0.436 38.436 39.000 -0.213 0.000 1.055 280 F HN -0.144 nan 8.300 nan 0.000 0.572 281 A N 2.047 124.392 122.820 -0.793 0.000 1.883 281 A HA 0.013 4.333 4.320 -0.000 0.000 0.217 281 A C -0.237 177.239 177.584 -0.180 0.000 1.186 281 A CA 1.943 53.652 52.037 -0.546 0.000 0.624 281 A CB -2.194 16.537 19.000 -0.448 0.000 0.822 281 A HN 0.345 nan 8.150 nan 0.000 0.444 282 P HA -0.117 nan 4.420 nan 0.000 0.223 282 P C 0.901 178.207 177.300 0.009 0.000 1.144 282 P CA 0.969 64.067 63.100 -0.003 0.000 0.783 282 P CB -0.006 31.707 31.700 0.022 0.000 0.771 283 R N -1.370 119.125 120.500 -0.009 0.000 2.472 283 R HA 0.285 4.625 4.340 -0.000 0.000 0.279 283 R C 0.501 176.781 176.300 -0.033 0.000 0.953 283 R CA -0.330 55.773 56.100 0.006 0.000 1.088 283 R CB -0.190 30.146 30.300 0.059 0.000 1.197 283 R HN 0.298 nan 8.270 nan 0.000 0.536 284 L N 1.515 122.697 121.223 -0.068 0.000 2.371 284 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 284 L C 0.773 177.574 176.870 -0.116 0.000 1.124 284 L CA -0.116 54.653 54.840 -0.119 0.000 0.816 284 L CB 1.171 43.166 42.059 -0.108 0.000 1.129 284 L HN 0.012 nan 8.230 nan 0.000 0.448 285 S N 1.775 117.333 115.700 -0.238 0.000 2.632 285 S HA 0.769 5.239 4.470 -0.000 0.000 0.289 285 S C -0.946 173.406 174.600 -0.414 0.000 1.115 285 S CA -0.714 57.374 58.200 -0.187 0.000 0.889 285 S CB 1.815 64.932 63.200 -0.138 0.000 1.116 285 S HN 0.281 nan 8.310 nan 0.000 0.486 286 F N 0.633 120.420 119.950 -0.271 0.000 2.639 286 F HA 0.828 5.355 4.527 0.000 0.000 0.339 286 F C -0.660 174.977 175.800 -0.272 0.000 1.071 286 F CA -1.000 56.759 58.000 -0.402 0.000 0.994 286 F CB 1.912 40.514 39.000 -0.662 0.000 1.341 286 F HN 0.652 nan 8.300 nan 0.000 0.498 287 F N 1.633 121.328 119.950 -0.425 0.000 2.787 287 F HA 0.412 4.939 4.527 -0.000 0.000 0.340 287 F C -2.145 173.437 175.800 -0.364 0.000 1.232 287 F CA -1.767 56.065 58.000 -0.280 0.000 1.051 287 F CB 0.572 39.520 39.000 -0.085 0.000 1.330 287 F HN 0.445 nan 8.300 nan 0.000 0.522 288 W N 3.990 125.452 121.300 0.271 0.000 2.578 288 W HA 0.715 5.375 4.660 0.000 0.000 0.346 288 W C 0.475 177.016 176.519 0.037 0.000 1.075 288 W CA -1.291 56.078 57.345 0.041 0.000 1.233 288 W CB 1.873 31.346 29.460 0.022 0.000 1.358 288 W HN 0.897 nan 8.180 nan 0.000 0.574 289 G N 2.027 111.015 108.800 0.314 0.000 2.400 289 G HA2 0.607 4.567 3.960 -0.000 0.000 0.301 289 G HA3 0.607 4.567 3.960 -0.000 0.000 0.301 289 G C -1.107 173.905 174.900 0.187 0.000 1.154 289 G CA -0.579 44.687 45.100 0.276 0.000 0.852 289 G HN 0.331 nan 8.290 nan 0.000 0.511 290 I N 2.514 123.192 120.570 0.181 0.000 2.495 290 I HA 0.298 4.468 4.170 -0.000 0.000 0.277 290 I C 0.940 177.111 176.117 0.090 0.000 1.045 290 I CA -0.617 60.733 61.300 0.083 0.000 1.135 290 I CB 0.587 38.615 38.000 0.046 0.000 1.241 290 I HN 0.559 nan 8.210 nan 0.000 0.469 291 G N 4.847 113.682 108.800 0.058 0.000 2.535 291 G HA2 0.358 4.318 3.960 -0.000 0.000 0.282 291 G HA3 0.358 4.318 3.960 -0.000 0.000 0.282 291 G C 0.891 175.850 174.900 0.098 0.000 1.350 291 G CA -0.441 44.718 45.100 0.099 0.000 1.039 291 G HN 0.372 nan 8.290 nan 0.000 0.509 292 M N 0.099 119.781 119.600 0.137 0.000 2.374 292 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 292 M C 1.139 177.532 176.300 0.155 0.000 1.067 292 M CA 0.371 55.755 55.300 0.140 0.000 1.103 292 M CB -1.013 31.677 32.600 0.150 0.000 1.402 292 M HN 0.456 nan 8.290 nan 0.000 0.444 293 N N 1.197 119.988 118.700 0.152 0.000 2.739 293 N HA -0.029 4.711 4.740 -0.000 0.000 0.266 293 N C 0.637 176.214 175.510 0.113 0.000 1.168 293 N CA -0.116 53.051 53.050 0.195 0.000 1.055 293 N CB -0.245 38.362 38.487 0.200 0.000 1.393 293 N HN 0.076 nan 8.380 nan 0.000 0.514 294 F N 3.152 123.064 119.950 -0.062 0.000 2.039 294 F HA -0.334 4.193 4.527 0.000 0.000 0.296 294 F C 1.193 176.748 175.800 -0.408 0.000 1.119 294 F CA 1.967 59.799 58.000 -0.280 0.000 1.211 294 F CB -0.309 38.410 39.000 -0.469 0.000 0.956 294 F HN 0.388 nan 8.300 nan 0.000 0.496 295 F N -0.565 119.379 119.950 -0.012 0.000 2.171 295 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 295 F C 2.398 177.943 175.800 -0.424 0.000 1.090 295 F CA 1.642 59.445 58.000 -0.328 0.000 1.293 295 F CB -0.944 37.842 39.000 -0.356 0.000 1.013 295 F HN 0.092 nan 8.300 nan 0.000 0.486 296 M N 0.150 119.681 119.600 -0.114 0.000 2.175 296 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 296 M C 1.997 178.145 176.300 -0.253 0.000 1.063 296 M CA 1.637 56.828 55.300 -0.183 0.000 1.119 296 M CB -0.346 32.191 32.600 -0.105 0.000 1.377 296 M HN -0.063 nan 8.290 nan 0.000 0.415 297 E N -0.652 119.377 120.200 -0.286 0.000 2.072 297 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 297 E C 2.198 178.561 176.600 -0.396 0.000 0.985 297 E CA 1.414 57.620 56.400 -0.323 0.000 0.801 297 E CB -0.674 28.860 29.700 -0.276 0.000 0.750 297 E HN 0.408 nan 8.360 nan 0.000 0.452 298 V N 1.751 121.355 119.914 -0.517 0.000 2.261 298 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 298 V C 2.480 178.365 176.094 -0.350 0.000 1.047 298 V CA 1.880 63.891 62.300 -0.481 0.000 1.015 298 V CB -0.858 30.569 31.823 -0.660 0.000 0.642 298 V HN 0.249 nan 8.190 nan 0.000 0.446 299 A N -0.362 122.259 122.820 -0.331 0.000 1.902 299 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 299 A C 2.317 179.721 177.584 -0.300 0.000 1.181 299 A CA 2.279 54.153 52.037 -0.273 0.000 0.623 299 A CB -0.538 18.304 19.000 -0.264 0.000 0.818 299 A HN 0.536 nan 8.150 nan 0.000 0.443 300 K N -0.809 119.385 120.400 -0.343 0.000 2.020 300 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 300 K C 1.788 178.069 176.600 -0.532 0.000 1.050 300 K CA 1.768 57.795 56.287 -0.433 0.000 0.929 300 K CB -0.333 31.880 32.500 -0.479 0.000 0.714 300 K HN 0.300 nan 8.250 nan 0.000 0.443 301 L N 1.153 122.080 121.223 -0.493 0.000 2.083 301 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 301 L C 2.399 179.098 176.870 -0.284 0.000 1.083 301 L CA 1.646 56.233 54.840 -0.421 0.000 0.752 301 L CB -0.387 41.520 42.059 -0.253 0.000 0.899 301 L HN 0.168 nan 8.230 nan 0.000 0.433 302 R N -1.101 119.240 120.500 -0.265 0.000 2.073 302 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 302 R C 2.310 178.424 176.300 -0.310 0.000 1.120 302 R CA 1.154 57.103 56.100 -0.251 0.000 0.967 302 R CB -0.633 29.521 30.300 -0.242 0.000 0.862 302 R HN 0.344 nan 8.270 nan 0.000 0.436 303 A N 1.536 124.159 122.820 -0.328 0.000 1.898 303 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 303 A C 2.404 179.847 177.584 -0.234 0.000 1.181 303 A CA 1.568 53.414 52.037 -0.319 0.000 0.620 303 A CB -0.646 18.195 19.000 -0.266 0.000 0.819 303 A HN 0.378 nan 8.150 nan 0.000 0.442 304 A N -0.035 122.629 122.820 -0.261 0.000 1.908 304 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 304 A C 2.242 179.794 177.584 -0.053 0.000 1.181 304 A CA 1.583 53.519 52.037 -0.169 0.000 0.627 304 A CB -0.494 18.281 19.000 -0.375 0.000 0.818 304 A HN 0.562 nan 8.150 nan 0.000 0.445 305 R N -0.992 119.465 120.500 -0.072 0.000 2.091 305 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 305 R C 2.294 178.623 176.300 0.048 0.000 1.136 305 R CA 1.813 57.918 56.100 0.009 0.000 0.959 305 R CB -0.433 29.864 30.300 -0.005 0.000 0.856 305 R HN 0.573 nan 8.270 nan 0.000 0.437 306 M N 0.465 120.022 119.600 -0.072 0.000 2.132 306 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 306 M C 2.315 178.601 176.300 -0.023 0.000 1.065 306 M CA 1.583 56.828 55.300 -0.091 0.000 1.122 306 M CB -0.357 32.087 32.600 -0.261 0.000 1.365 306 M HN 0.131 nan 8.290 nan 0.000 0.411 307 L N -0.936 120.294 121.223 0.010 0.000 2.012 307 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 307 L C 2.495 179.535 176.870 0.282 0.000 1.073 307 L CA 1.545 56.465 54.840 0.132 0.000 0.748 307 L CB -0.786 41.406 42.059 0.222 0.000 0.891 307 L HN 0.584 nan 8.230 nan 0.000 0.431 308 W N 0.958 122.294 121.300 0.060 0.000 2.358 308 W HA -0.256 4.404 4.660 -0.000 0.000 0.303 308 W C 2.451 179.050 176.519 0.133 0.000 1.208 308 W CA 1.322 58.719 57.345 0.086 0.000 1.274 308 W CB 0.081 29.508 29.460 -0.056 0.000 1.138 308 W HN 0.197 nan 8.180 nan 0.000 0.515 309 A N 0.630 123.540 122.820 0.150 0.000 1.902 309 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 309 A C 1.967 179.559 177.584 0.013 0.000 1.181 309 A CA 2.023 54.101 52.037 0.067 0.000 0.623 309 A CB -0.986 18.131 19.000 0.195 0.000 0.818 309 A HN 0.355 nan 8.150 nan 0.000 0.443 310 K N -0.318 120.092 120.400 0.017 0.000 2.009 310 K HA -0.113 4.207 4.320 -0.000 0.000 0.210 310 K C 1.925 178.594 176.600 0.115 0.000 1.049 310 K CA 1.598 57.892 56.287 0.012 0.000 0.929 310 K CB -0.355 32.053 32.500 -0.153 0.000 0.714 310 K HN 0.456 nan 8.250 nan 0.000 0.440 311 L N 0.494 121.818 121.223 0.170 0.000 2.017 311 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 311 L C 2.388 179.289 176.870 0.052 0.000 1.073 311 L CA 1.019 55.969 54.840 0.183 0.000 0.745 311 L CB -0.396 41.814 42.059 0.252 0.000 0.894 311 L HN 0.052 nan 8.230 nan 0.000 0.432 312 V N -1.121 118.675 119.914 -0.196 0.000 2.515 312 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 312 V C 2.424 178.585 176.094 0.112 0.000 1.058 312 V CA 1.688 63.914 62.300 -0.122 0.000 1.064 312 V CB -0.831 30.683 31.823 -0.514 0.000 0.675 312 V HN 0.465 nan 8.190 nan 0.000 0.461 313 H N 1.046 120.099 119.070 -0.028 0.000 2.353 313 H HA -0.209 4.347 4.556 0.000 0.000 0.298 313 H C 2.338 177.651 175.328 -0.025 0.000 1.103 313 H CA 2.115 58.157 56.048 -0.011 0.000 1.293 313 H CB -0.199 29.549 29.762 -0.023 0.000 1.372 313 H HN 0.501 nan 8.280 nan 0.000 0.501 314 Q N -1.217 118.502 119.800 -0.134 0.000 2.297 314 Q HA -0.150 4.190 4.340 -0.000 0.000 0.208 314 Q C 1.400 177.141 176.000 -0.431 0.000 0.981 314 Q CA 1.341 56.959 55.803 -0.308 0.000 0.876 314 Q CB -0.092 28.430 28.738 -0.361 0.000 0.921 314 Q HN 0.497 nan 8.270 nan 0.000 0.446 315 F N -0.716 119.190 119.950 -0.073 0.000 2.789 315 F HA 0.199 4.726 4.527 -0.000 0.000 0.300 315 F C 1.366 177.134 175.800 -0.053 0.000 1.132 315 F CA 0.542 58.513 58.000 -0.047 0.000 1.404 315 F CB 0.295 39.271 39.000 -0.039 0.000 1.114 315 F HN 0.044 nan 8.300 nan 0.000 0.584 316 G N 1.734 110.549 108.800 0.025 0.000 2.326 316 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.286 316 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.286 316 G C -2.364 172.564 174.900 0.047 0.000 1.096 316 G CA -0.684 44.408 45.100 -0.012 0.000 1.003 316 G HN 0.153 nan 8.290 nan 0.000 0.503 317 P HA 0.334 nan 4.420 nan 0.000 0.271 317 P C 0.494 177.840 177.300 0.076 0.000 1.216 317 P CA -0.075 63.070 63.100 0.074 0.000 0.776 317 P CB 1.304 33.052 31.700 0.079 0.000 0.881 318 K N 0.816 121.253 120.400 0.062 0.000 2.335 318 K HA 0.123 4.443 4.320 -0.000 0.000 0.195 318 K C 0.670 177.307 176.600 0.063 0.000 1.058 318 K CA 0.454 56.777 56.287 0.059 0.000 0.988 318 K CB -0.112 32.417 32.500 0.048 0.000 0.880 318 K HN 0.346 nan 8.250 nan 0.000 0.513 319 N N 0.966 119.704 118.700 0.063 0.000 2.422 319 N HA 0.123 4.863 4.740 -0.000 0.000 0.266 319 N C -2.111 173.457 175.510 0.096 0.000 1.007 319 N CA -2.152 50.940 53.050 0.070 0.000 0.941 319 N CB 1.440 39.961 38.487 0.056 0.000 1.115 319 N HN -0.143 nan 8.380 nan 0.000 0.492 320 P HA -0.156 nan 4.420 nan 0.000 0.218 320 P C 0.629 178.096 177.300 0.278 0.000 1.148 320 P CA 1.399 64.619 63.100 0.199 0.000 0.822 320 P CB 0.484 32.295 31.700 0.186 0.000 0.784 321 K N -0.240 120.269 120.400 0.181 0.000 2.211 321 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 321 K C 2.321 178.958 176.600 0.062 0.000 1.047 321 K CA 1.252 57.604 56.287 0.108 0.000 0.935 321 K CB -0.408 32.148 32.500 0.094 0.000 0.728 321 K HN 0.088 nan 8.250 nan 0.000 0.452 322 S N 1.146 116.879 115.700 0.055 0.000 2.383 322 S HA -0.098 4.372 4.470 -0.000 0.000 0.229 322 S C 1.727 176.338 174.600 0.018 0.000 1.030 322 S CA 1.289 59.491 58.200 0.003 0.000 1.002 322 S CB -0.070 63.112 63.200 -0.030 0.000 0.829 322 S HN 0.293 nan 8.310 nan 0.000 0.467 323 M N 1.635 121.275 119.600 0.067 0.000 2.595 323 M HA 0.065 4.545 4.480 -0.000 0.000 0.248 323 M C 0.638 177.004 176.300 0.110 0.000 1.119 323 M CA 0.019 55.358 55.300 0.066 0.000 1.079 323 M CB -0.143 32.592 32.600 0.224 0.000 1.472 323 M HN 0.191 nan 8.290 nan 0.000 0.501 324 S N 1.388 117.009 115.700 -0.131 0.000 2.481 324 S HA 0.335 4.805 4.470 -0.000 0.000 0.276 324 S C -0.433 174.145 174.600 -0.036 0.000 1.247 324 S CA -0.755 57.105 58.200 -0.567 0.000 1.053 324 S CB 0.733 63.445 63.200 -0.814 0.000 0.925 324 S HN 0.426 nan 8.310 nan 0.000 0.491 325 L N 5.093 126.287 121.223 -0.050 0.000 2.268 325 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 325 L C -0.159 176.644 176.870 -0.112 0.000 1.064 325 L CA -0.625 54.168 54.840 -0.077 0.000 0.824 325 L CB 0.242 42.162 42.059 -0.233 0.000 1.202 325 L HN 0.751 nan 8.230 nan 0.000 0.433 326 R N 3.457 123.941 120.500 -0.026 0.000 2.229 326 R HA 0.420 4.760 4.340 -0.000 0.000 0.332 326 R C -0.487 175.854 176.300 0.069 0.000 0.989 326 R CA -0.412 55.683 56.100 -0.008 0.000 0.842 326 R CB 1.747 32.058 30.300 0.018 0.000 1.119 326 R HN 0.450 nan 8.270 nan 0.000 0.456 327 T N 0.917 115.525 114.554 0.090 0.000 2.916 327 T HA 0.251 4.601 4.350 -0.000 0.000 0.292 327 T C -1.405 173.386 174.700 0.153 0.000 1.055 327 T CA -0.685 61.485 62.100 0.116 0.000 1.009 327 T CB 1.065 70.028 68.868 0.159 0.000 1.118 327 T HN 0.626 nan 8.240 nan 0.000 0.497 328 H N 0.810 119.896 119.070 0.028 0.000 2.502 328 H HA 0.788 5.344 4.556 0.000 0.000 0.338 328 H C -0.740 174.674 175.328 0.144 0.000 1.155 328 H CA -0.124 55.912 56.048 -0.020 0.000 1.237 328 H CB 1.243 30.837 29.762 -0.280 0.000 1.534 328 H HN 0.481 nan 8.280 nan 0.000 0.523 329 S N 2.319 117.681 115.700 -0.564 0.000 2.569 329 S HA 0.357 4.827 4.470 -0.000 0.000 0.280 329 S C -1.480 172.944 174.600 -0.292 0.000 1.111 329 S CA -0.870 57.251 58.200 -0.132 0.000 0.887 329 S CB 1.950 65.141 63.200 -0.015 0.000 1.095 329 S HN 0.703 nan 8.310 nan 0.000 0.476 330 Q N 1.396 121.269 119.800 0.121 0.000 2.289 330 Q HA 0.446 4.786 4.340 -0.000 0.000 0.270 330 Q C -0.815 175.342 176.000 0.261 0.000 1.038 330 Q CA -0.695 55.175 55.803 0.112 0.000 0.812 330 Q CB 1.477 30.173 28.738 -0.071 0.000 1.300 330 Q HN 0.783 nan 8.270 nan 0.000 0.427 331 T N 0.677 115.361 114.554 0.216 0.000 2.940 331 T HA 0.081 4.431 4.350 -0.000 0.000 0.309 331 T C 0.487 175.393 174.700 0.343 0.000 1.056 331 T CA -0.249 61.980 62.100 0.215 0.000 1.137 331 T CB 1.164 70.114 68.868 0.137 0.000 0.976 331 T HN 0.511 nan 8.240 nan 0.000 0.547 332 S N 2.198 118.069 115.700 0.284 0.000 2.509 332 S HA 0.276 4.746 4.470 -0.000 0.000 0.287 332 S C 1.676 176.442 174.600 0.277 0.000 1.248 332 S CA -0.274 58.095 58.200 0.282 0.000 1.089 332 S CB -0.367 62.958 63.200 0.210 0.000 0.900 332 S HN 0.958 nan 8.310 nan 0.000 0.496 333 G N 4.428 113.429 108.800 0.335 0.000 2.408 333 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 333 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 333 G C 0.999 176.020 174.900 0.203 0.000 1.150 333 G CA 0.514 45.780 45.100 0.276 0.000 0.776 333 G HN 0.898 nan 8.290 nan 0.000 0.542 334 W N 2.582 123.922 121.300 0.066 0.000 2.342 334 W HA -0.204 4.456 4.660 -0.000 0.000 0.297 334 W C 2.858 179.401 176.519 0.040 0.000 1.213 334 W CA 2.449 59.816 57.345 0.037 0.000 1.251 334 W CB -0.138 29.319 29.460 -0.005 0.000 1.136 334 W HN 0.263 nan 8.180 nan 0.000 0.526 335 S N 0.184 115.865 115.700 -0.031 0.000 2.447 335 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 335 S C 0.861 175.338 174.600 -0.205 0.000 1.006 335 S CA 0.641 58.735 58.200 -0.177 0.000 0.957 335 S CB -0.848 62.407 63.200 0.092 0.000 0.773 335 S HN 0.176 nan 8.310 nan 0.000 0.507 336 L N 2.669 123.816 121.223 -0.126 0.000 2.350 336 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 336 L C 0.709 177.493 176.870 -0.144 0.000 1.099 336 L CA -0.530 54.257 54.840 -0.089 0.000 0.808 336 L CB 1.098 43.150 42.059 -0.012 0.000 1.149 336 L HN 0.283 nan 8.230 nan 0.000 0.442 337 T N -1.342 113.147 114.554 -0.108 0.000 2.952 337 T HA 0.569 4.919 4.350 -0.000 0.000 0.286 337 T C 0.619 175.286 174.700 -0.055 0.000 1.024 337 T CA -0.242 61.798 62.100 -0.100 0.000 1.029 337 T CB 2.032 70.849 68.868 -0.085 0.000 1.094 337 T HN 0.597 nan 8.240 nan 0.000 0.515 338 A N 0.214 123.010 122.820 -0.040 0.000 2.195 338 A HA 0.302 4.622 4.320 -0.000 0.000 0.210 338 A C 0.756 178.340 177.584 0.001 0.000 1.165 338 A CA 0.131 52.159 52.037 -0.014 0.000 0.806 338 A CB -0.330 18.670 19.000 0.001 0.000 0.847 338 A HN 0.746 nan 8.150 nan 0.000 0.482 339 Q N -0.191 119.610 119.800 0.002 0.000 2.245 339 Q HA 0.450 4.790 4.340 -0.000 0.000 0.256 339 Q C -0.643 175.375 176.000 0.030 0.000 0.942 339 Q CA -0.352 55.464 55.803 0.021 0.000 0.896 339 Q CB 1.155 29.904 28.738 0.018 0.000 1.272 339 Q HN 0.273 nan 8.270 nan 0.000 0.442 340 D N 0.780 121.213 120.400 0.056 0.000 2.803 340 D HA -0.160 4.480 4.640 -0.000 0.000 0.233 340 D C 0.632 176.981 176.300 0.081 0.000 1.182 340 D CA 0.820 54.871 54.000 0.085 0.000 0.726 340 D CB -0.452 40.395 40.800 0.078 0.000 0.987 340 D HN 0.485 nan 8.370 nan 0.000 0.412 341 V N -0.817 119.133 119.914 0.061 0.000 2.469 341 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 341 V C 1.947 177.981 176.094 -0.100 0.000 1.064 341 V CA 1.596 63.872 62.300 -0.040 0.000 1.066 341 V CB -0.977 30.778 31.823 -0.114 0.000 0.667 341 V HN 0.417 nan 8.190 nan 0.000 0.461 342 Y N 1.561 121.886 120.300 0.042 0.000 2.571 342 Y HA 0.068 4.618 4.550 -0.000 0.000 0.294 342 Y C 2.461 178.378 175.900 0.028 0.000 1.141 342 Y CA 1.144 59.269 58.100 0.043 0.000 1.308 342 Y CB -0.727 37.765 38.460 0.053 0.000 1.002 342 Y HN 0.330 nan 8.280 nan 0.000 0.551 343 N N 0.150 118.923 118.700 0.121 0.000 2.244 343 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 343 N C 1.301 176.835 175.510 0.040 0.000 1.016 343 N CA 0.912 54.007 53.050 0.075 0.000 0.866 343 N CB -0.382 38.141 38.487 0.060 0.000 0.980 343 N HN 0.390 nan 8.380 nan 0.000 0.430 344 N N 0.757 119.462 118.700 0.008 0.000 2.205 344 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 344 N C 1.811 177.318 175.510 -0.005 0.000 1.015 344 N CA 0.509 53.552 53.050 -0.011 0.000 0.862 344 N CB -0.423 38.039 38.487 -0.042 0.000 0.986 344 N HN 0.061 nan 8.380 nan 0.000 0.429 345 V N 0.788 120.699 119.914 -0.006 0.000 2.332 345 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 345 V C 2.425 178.533 176.094 0.022 0.000 1.055 345 V CA 1.243 63.544 62.300 0.002 0.000 1.038 345 V CB -0.530 31.311 31.823 0.030 0.000 0.651 345 V HN 0.071 nan 8.190 nan 0.000 0.450 346 V N 0.105 120.040 119.914 0.035 0.000 2.307 346 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 346 V C 2.576 178.698 176.094 0.046 0.000 1.045 346 V CA 2.023 64.346 62.300 0.039 0.000 1.024 346 V CB -0.836 31.012 31.823 0.042 0.000 0.651 346 V HN 0.492 nan 8.190 nan 0.000 0.449 347 R N 0.114 120.639 120.500 0.042 0.000 2.083 347 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 347 R C 2.363 178.699 176.300 0.060 0.000 1.137 347 R CA 2.007 58.137 56.100 0.049 0.000 0.951 347 R CB -1.018 29.304 30.300 0.037 0.000 0.851 347 R HN 0.465 nan 8.270 nan 0.000 0.434 348 T N 0.526 115.110 114.554 0.050 0.000 2.821 348 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 348 T C 2.040 176.779 174.700 0.064 0.000 1.046 348 T CA 1.268 63.401 62.100 0.055 0.000 1.139 348 T CB -0.397 68.491 68.868 0.034 0.000 0.871 348 T HN 0.417 nan 8.240 nan 0.000 0.454 349 C N 1.607 120.947 119.300 0.068 0.000 2.432 349 C HA -0.041 4.419 4.460 -0.000 0.000 0.277 349 C C 2.501 177.560 174.990 0.115 0.000 1.249 349 C CA 0.241 59.318 59.018 0.098 0.000 1.725 349 C CB -1.407 26.388 27.740 0.092 0.000 2.028 349 C HN 0.436 nan 8.230 nan 0.000 0.477 350 I N 1.127 121.760 120.570 0.106 0.000 2.315 350 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 350 I C 2.448 178.675 176.117 0.183 0.000 1.117 350 I CA 1.605 62.987 61.300 0.137 0.000 1.404 350 I CB -1.798 36.260 38.000 0.097 0.000 1.071 350 I HN 0.531 nan 8.210 nan 0.000 0.419 351 E N 1.229 121.502 120.200 0.122 0.000 2.106 351 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 351 E C 2.367 178.990 176.600 0.038 0.000 0.984 351 E CA 1.325 57.775 56.400 0.084 0.000 0.806 351 E CB -0.154 29.598 29.700 0.085 0.000 0.750 351 E HN 0.490 nan 8.360 nan 0.000 0.458 352 A N 0.985 123.827 122.820 0.036 0.000 1.933 352 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 352 A C 2.141 179.697 177.584 -0.047 0.000 1.175 352 A CA 1.367 53.385 52.037 -0.031 0.000 0.628 352 A CB -0.433 18.573 19.000 0.010 0.000 0.814 352 A HN 0.132 nan 8.150 nan 0.000 0.444 353 M N -0.495 119.157 119.600 0.086 0.000 2.159 353 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 353 M C 2.480 178.870 176.300 0.150 0.000 1.063 353 M CA 1.433 56.840 55.300 0.178 0.000 1.110 353 M CB -0.345 32.457 32.600 0.337 0.000 1.374 353 M HN 0.469 nan 8.290 nan 0.000 0.411 354 A N 0.295 123.106 122.820 -0.014 0.000 1.873 354 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 354 A C 2.375 179.778 177.584 -0.303 0.000 1.186 354 A CA 1.884 53.598 52.037 -0.539 0.000 0.616 354 A CB -1.082 17.533 19.000 -0.642 0.000 0.823 354 A HN 0.475 nan 8.150 nan 0.000 0.442 355 A N -0.193 122.519 122.820 -0.180 0.000 1.865 355 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 355 A C 2.465 179.969 177.584 -0.132 0.000 1.191 355 A CA 2.844 54.794 52.037 -0.146 0.000 0.623 355 A CB -1.490 17.422 19.000 -0.146 0.000 0.826 355 A HN 0.802 nan 8.150 nan 0.000 0.444 356 T N -2.671 111.755 114.554 -0.213 0.000 2.951 356 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 356 T C 1.733 176.571 174.700 0.231 0.000 1.073 356 T CA 1.399 63.423 62.100 -0.126 0.000 1.134 356 T CB -0.289 68.198 68.868 -0.635 0.000 0.884 356 T HN 0.590 nan 8.240 nan 0.000 0.479 357 Q N 0.598 120.483 119.800 0.142 0.000 2.389 357 Q HA 0.221 4.561 4.340 -0.000 0.000 0.204 357 Q C 2.462 178.489 176.000 0.045 0.000 0.944 357 Q CA 0.677 56.612 55.803 0.220 0.000 0.908 357 Q CB -0.134 28.866 28.738 0.436 0.000 1.002 357 Q HN 0.705 nan 8.270 nan 0.000 0.493 358 G N -0.901 107.866 108.800 -0.055 0.000 2.712 358 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.212 358 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.212 358 G C -0.239 174.682 174.900 0.035 0.000 1.142 358 G CA -0.054 44.981 45.100 -0.108 0.000 0.789 358 G HN 0.550 nan 8.290 nan 0.000 0.535 359 H N -0.176 118.875 119.070 -0.032 0.000 2.904 359 H HA -0.148 4.408 4.556 -0.000 0.000 0.333 359 H C 0.298 175.674 175.328 0.081 0.000 1.271 359 H CA 0.125 56.146 56.048 -0.046 0.000 1.183 359 H CB -1.605 28.051 29.762 -0.176 0.000 1.519 359 H HN 0.329 nan 8.280 nan 0.000 0.441 360 T N -0.209 114.491 114.554 0.243 0.000 2.898 360 T HA 0.091 4.441 4.350 -0.000 0.000 0.301 360 T C 1.354 176.243 174.700 0.315 0.000 1.049 360 T CA -0.071 62.151 62.100 0.203 0.000 1.095 360 T CB 1.239 70.157 68.868 0.083 0.000 0.976 360 T HN 0.393 nan 8.240 nan 0.000 0.539 361 Q N 1.299 121.261 119.800 0.270 0.000 2.302 361 Q HA 0.237 4.577 4.340 -0.000 0.000 0.202 361 Q C 0.488 176.688 176.000 0.334 0.000 0.936 361 Q CA 0.353 56.354 55.803 0.330 0.000 0.886 361 Q CB 0.443 29.339 28.738 0.263 0.000 0.986 361 Q HN 0.738 nan 8.270 nan 0.000 0.487 362 S N -1.256 114.618 115.700 0.290 0.000 2.596 362 S HA 0.743 5.213 4.470 -0.000 0.000 0.270 362 S C -1.482 173.238 174.600 0.200 0.000 1.155 362 S CA -1.032 57.371 58.200 0.339 0.000 0.827 362 S CB 1.673 65.069 63.200 0.326 0.000 1.130 362 S HN 0.053 nan 8.310 nan 0.000 0.467 363 L N 1.056 122.423 121.223 0.240 0.000 2.506 363 L HA 0.707 5.047 4.340 -0.000 0.000 0.257 363 L C -1.542 175.423 176.870 0.158 0.000 0.964 363 L CA -0.225 54.613 54.840 -0.003 0.000 0.836 363 L CB 2.132 44.149 42.059 -0.071 0.000 1.384 363 L HN 1.125 nan 8.230 nan 0.000 0.410 364 H N 0.980 120.034 119.070 -0.027 0.000 2.495 364 H HA 0.802 5.358 4.556 0.000 0.000 0.348 364 H C -1.152 174.210 175.328 0.056 0.000 1.113 364 H CA 0.065 56.160 56.048 0.077 0.000 1.195 364 H CB 1.592 31.419 29.762 0.109 0.000 1.521 364 H HN 0.719 nan 8.280 nan 0.000 0.509 365 T N 3.049 117.307 114.554 -0.493 0.000 2.792 365 T HA 0.378 4.728 4.350 -0.000 0.000 0.280 365 T C 0.012 174.505 174.700 -0.345 0.000 0.990 365 T CA -1.244 60.699 62.100 -0.262 0.000 0.960 365 T CB 0.843 69.647 68.868 -0.107 0.000 0.939 365 T HN 0.546 nan 8.240 nan 0.000 0.439 366 N N 1.805 120.487 118.700 -0.030 0.000 2.354 366 N HA 0.329 5.069 4.740 -0.000 0.000 0.246 366 N C -0.002 175.526 175.510 0.028 0.000 1.285 366 N CA -0.350 52.759 53.050 0.098 0.000 0.925 366 N CB 0.654 39.257 38.487 0.193 0.000 1.174 366 N HN 0.609 nan 8.380 nan 0.000 0.478 367 S N 0.102 115.836 115.700 0.058 0.000 2.638 367 S HA 0.239 4.709 4.470 -0.000 0.000 0.298 367 S C 1.624 176.210 174.600 -0.022 0.000 1.111 367 S CA -0.747 57.455 58.200 0.002 0.000 1.027 367 S CB 1.136 64.349 63.200 0.021 0.000 1.064 367 S HN 0.527 nan 8.310 nan 0.000 0.525 368 L N 0.688 121.857 121.223 -0.090 0.000 2.129 368 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 368 L C 1.087 177.892 176.870 -0.108 0.000 1.087 368 L CA 1.693 56.448 54.840 -0.142 0.000 0.757 368 L CB -1.016 40.854 42.059 -0.315 0.000 0.896 368 L HN 0.561 nan 8.230 nan 0.000 0.434 369 D N -0.985 119.376 120.400 -0.065 0.000 2.325 369 D HA -0.060 4.580 4.640 -0.000 0.000 0.234 369 D C 1.687 177.987 176.300 -0.001 0.000 1.122 369 D CA 0.418 54.398 54.000 -0.034 0.000 0.850 369 D CB -0.142 40.645 40.800 -0.022 0.000 0.921 369 D HN 0.541 nan 8.370 nan 0.000 0.513 370 E N 1.664 121.875 120.200 0.019 0.000 2.147 370 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 370 E C 1.601 178.232 176.600 0.052 0.000 1.005 370 E CA 1.883 58.318 56.400 0.059 0.000 0.810 370 E CB -0.473 29.270 29.700 0.072 0.000 0.736 370 E HN 0.323 nan 8.360 nan 0.000 0.460 371 A N -1.297 121.535 122.820 0.019 0.000 2.308 371 A HA 0.289 4.609 4.320 -0.000 0.000 0.217 371 A C 1.660 179.248 177.584 0.007 0.000 1.216 371 A CA 0.194 52.237 52.037 0.010 0.000 0.864 371 A CB -0.020 18.970 19.000 -0.017 0.000 0.902 371 A HN 0.295 nan 8.150 nan 0.000 0.499 372 I N -2.044 118.530 120.570 0.007 0.000 3.673 372 I HA 0.495 4.665 4.170 -0.000 0.000 0.281 372 I C 0.895 177.018 176.117 0.010 0.000 1.182 372 I CA 1.036 62.337 61.300 0.002 0.000 1.391 372 I CB 0.573 38.567 38.000 -0.011 0.000 1.383 372 I HN 0.225 nan 8.210 nan 0.000 0.456 373 A N -0.181 122.646 122.820 0.012 0.000 2.467 373 A HA 0.612 4.932 4.320 -0.000 0.000 0.301 373 A C -1.408 176.180 177.584 0.008 0.000 1.126 373 A CA -0.705 51.339 52.037 0.012 0.000 0.632 373 A CB 0.255 19.248 19.000 -0.011 0.000 1.331 373 A HN 0.002 nan 8.150 nan 0.000 0.482 374 L N 1.119 122.331 121.223 -0.018 0.000 2.473 374 L HA 0.300 4.640 4.340 -0.000 0.000 0.268 374 L C -1.950 174.868 176.870 -0.087 0.000 1.215 374 L CA -1.436 53.379 54.840 -0.041 0.000 0.823 374 L CB -0.067 41.938 42.059 -0.090 0.000 1.099 374 L HN 0.438 nan 8.230 nan 0.000 0.483 375 P HA 0.064 nan 4.420 nan 0.000 0.269 375 P C -0.376 176.838 177.300 -0.144 0.000 1.209 375 P CA -0.291 62.788 63.100 -0.035 0.000 0.776 375 P CB 0.486 32.241 31.700 0.091 0.000 0.876 376 T N -1.760 112.760 114.554 -0.057 0.000 2.884 376 T HA 0.245 4.595 4.350 -0.000 0.000 0.277 376 T C 0.856 175.588 174.700 0.054 0.000 0.976 376 T CA -0.394 61.668 62.100 -0.062 0.000 0.956 376 T CB 0.515 69.398 68.868 0.025 0.000 1.113 376 T HN 0.139 nan 8.240 nan 0.000 0.554 377 D N -0.522 119.943 120.400 0.108 0.000 2.117 377 D HA -0.014 4.626 4.640 -0.000 0.000 0.197 377 D C 1.488 177.906 176.300 0.197 0.000 0.987 377 D CA 0.868 54.999 54.000 0.217 0.000 0.829 377 D CB -0.396 40.517 40.800 0.189 0.000 0.961 377 D HN 0.527 nan 8.370 nan 0.000 0.460 378 F N 1.740 121.728 119.950 0.064 0.000 2.051 378 F HA -0.228 4.299 4.527 -0.000 0.000 0.296 378 F C 2.563 178.396 175.800 0.055 0.000 1.122 378 F CA 2.153 60.188 58.000 0.058 0.000 1.201 378 F CB -0.718 38.312 39.000 0.051 0.000 0.978 378 F HN -0.018 nan 8.300 nan 0.000 0.472 379 S N 0.796 116.479 115.700 -0.028 0.000 2.368 379 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 379 S C 2.249 176.780 174.600 -0.114 0.000 1.030 379 S CA 1.142 59.250 58.200 -0.153 0.000 0.999 379 S CB -1.274 61.919 63.200 -0.012 0.000 0.844 379 S HN 0.504 nan 8.310 nan 0.000 0.459 380 A N 1.975 124.804 122.820 0.015 0.000 1.972 380 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 380 A C 2.322 179.900 177.584 -0.010 0.000 1.169 380 A CA 1.439 53.518 52.037 0.071 0.000 0.635 380 A CB -0.744 18.413 19.000 0.261 0.000 0.810 380 A HN 0.666 nan 8.150 nan 0.000 0.446 381 R N -0.255 120.213 120.500 -0.053 0.000 2.075 381 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 381 R C 1.882 178.107 176.300 -0.125 0.000 1.126 381 R CA 1.506 57.563 56.100 -0.073 0.000 0.963 381 R CB -0.364 29.907 30.300 -0.049 0.000 0.858 381 R HN 0.514 nan 8.270 nan 0.000 0.435 382 I N 0.928 121.354 120.570 -0.240 0.000 2.179 382 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 382 I C 2.596 178.649 176.117 -0.108 0.000 1.088 382 I CA 1.377 62.552 61.300 -0.207 0.000 1.357 382 I CB -0.448 37.373 38.000 -0.299 0.000 1.051 382 I HN 0.323 nan 8.210 nan 0.000 0.409 383 A N 0.719 123.480 122.820 -0.098 0.000 1.892 383 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 383 A C 2.442 180.002 177.584 -0.039 0.000 1.188 383 A CA 2.155 54.154 52.037 -0.063 0.000 0.631 383 A CB -0.724 18.234 19.000 -0.069 0.000 0.822 383 A HN 0.391 nan 8.150 nan 0.000 0.447 384 R N -0.254 120.226 120.500 -0.034 0.000 2.092 384 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 384 R C 1.882 178.194 176.300 0.020 0.000 1.119 384 R CA 1.629 57.723 56.100 -0.010 0.000 0.970 384 R CB -0.416 29.870 30.300 -0.023 0.000 0.864 384 R HN 0.725 nan 8.270 nan 0.000 0.440 385 N N -0.837 117.870 118.700 0.011 0.000 2.244 385 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 385 N C 1.263 176.838 175.510 0.109 0.000 1.016 385 N CA 1.568 54.645 53.050 0.044 0.000 0.866 385 N CB 0.021 38.513 38.487 0.007 0.000 0.980 385 N HN 0.202 nan 8.380 nan 0.000 0.430 386 T N 1.221 115.830 114.554 0.092 0.000 2.635 386 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 386 T C 1.776 176.627 174.700 0.252 0.000 1.040 386 T CA 1.267 63.464 62.100 0.161 0.000 1.156 386 T CB -0.254 68.667 68.868 0.088 0.000 0.863 386 T HN 0.336 nan 8.240 nan 0.000 0.430 387 Q N 0.247 120.178 119.800 0.217 0.000 2.119 387 Q HA 0.065 4.405 4.340 -0.000 0.000 0.201 387 Q C 2.506 178.655 176.000 0.248 0.000 0.972 387 Q CA 0.908 56.910 55.803 0.332 0.000 0.847 387 Q CB -0.345 28.589 28.738 0.326 0.000 0.903 387 Q HN 0.480 nan 8.270 nan 0.000 0.433 388 L N -0.194 121.109 121.223 0.134 0.000 2.056 388 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 388 L C 2.345 179.277 176.870 0.102 0.000 1.078 388 L CA 1.018 55.889 54.840 0.052 0.000 0.749 388 L CB -0.462 41.616 42.059 0.032 0.000 0.901 388 L HN 0.180 nan 8.230 nan 0.000 0.433 389 F N 0.773 120.751 119.950 0.046 0.000 2.095 389 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 389 F C 2.156 178.014 175.800 0.096 0.000 1.104 389 F CA 1.582 59.615 58.000 0.056 0.000 1.232 389 F CB -0.304 38.728 39.000 0.053 0.000 0.987 389 F HN -0.132 nan 8.300 nan 0.000 0.475 390 L N 0.032 121.263 121.223 0.013 0.000 2.046 390 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 390 L C 2.551 179.468 176.870 0.079 0.000 1.077 390 L CA 1.583 56.422 54.840 -0.001 0.000 0.747 390 L CB -0.899 41.317 42.059 0.261 0.000 0.896 390 L HN 0.269 nan 8.230 nan 0.000 0.432 391 Q N -0.558 119.275 119.800 0.056 0.000 2.172 391 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 391 Q C 2.128 178.045 176.000 -0.139 0.000 0.964 391 Q CA 1.258 56.963 55.803 -0.163 0.000 0.855 391 Q CB -0.023 28.451 28.738 -0.441 0.000 0.918 391 Q HN 0.605 nan 8.270 nan 0.000 0.444 392 Q N 0.024 119.748 119.800 -0.126 0.000 2.226 392 Q HA -0.018 4.322 4.340 -0.000 0.000 0.199 392 Q C 1.427 177.360 176.000 -0.111 0.000 0.945 392 Q CA 0.722 56.464 55.803 -0.101 0.000 0.861 392 Q CB 0.504 29.214 28.738 -0.047 0.000 0.953 392 Q HN 0.301 nan 8.270 nan 0.000 0.490 393 E N -0.300 119.771 120.200 -0.214 0.000 2.372 393 E HA -0.020 4.330 4.350 -0.000 0.000 0.201 393 E C 1.907 178.338 176.600 -0.281 0.000 0.938 393 E CA 0.639 56.910 56.400 -0.216 0.000 0.944 393 E CB 0.420 30.015 29.700 -0.175 0.000 0.937 393 E HN 0.203 nan 8.360 nan 0.000 0.495 394 S N 0.133 115.567 115.700 -0.444 0.000 2.419 394 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 394 S C 1.844 176.387 174.600 -0.094 0.000 1.016 394 S CA 1.178 59.208 58.200 -0.284 0.000 0.974 394 S CB -0.334 62.699 63.200 -0.278 0.000 0.786 394 S HN 0.363 nan 8.310 nan 0.000 0.492 395 G N 0.580 109.348 108.800 -0.054 0.000 2.148 395 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 395 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 395 G C 0.783 175.707 174.900 0.039 0.000 0.981 395 G CA 1.069 46.166 45.100 -0.005 0.000 0.670 395 G HN 1.307 nan 8.290 nan 0.000 0.528 396 T N -2.208 112.394 114.554 0.080 0.000 3.129 396 T HA 0.213 4.563 4.350 -0.000 0.000 0.251 396 T C 2.167 177.033 174.700 0.276 0.000 1.117 396 T CA 1.814 64.007 62.100 0.154 0.000 1.034 396 T CB -0.088 68.884 68.868 0.174 0.000 0.968 396 T HN 0.949 nan 8.240 nan 0.000 0.526 397 T N 0.475 115.185 114.554 0.260 0.000 3.044 397 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 397 T C 2.031 176.884 174.700 0.255 0.000 1.073 397 T CA 0.017 62.333 62.100 0.360 0.000 1.125 397 T CB -0.294 68.704 68.868 0.218 0.000 0.908 397 T HN 0.583 nan 8.240 nan 0.000 0.480 398 R N 1.271 121.862 120.500 0.150 0.000 2.127 398 R HA 0.075 4.415 4.340 -0.000 0.000 0.238 398 R C 0.269 176.633 176.300 0.107 0.000 1.134 398 R CA 0.691 56.857 56.100 0.110 0.000 0.975 398 R CB -0.824 29.514 30.300 0.063 0.000 0.865 398 R HN 0.319 nan 8.270 nan 0.000 0.447 399 V N 2.100 122.078 119.914 0.108 0.000 2.513 399 V HA 0.298 4.418 4.120 -0.000 0.000 0.299 399 V C 0.063 176.228 176.094 0.119 0.000 1.035 399 V CA -1.022 61.323 62.300 0.074 0.000 0.889 399 V CB 2.022 33.852 31.823 0.013 0.000 0.988 399 V HN 0.114 nan 8.190 nan 0.000 0.440 400 I N 3.922 124.551 120.570 0.097 0.000 2.436 400 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 400 I C 0.444 176.577 176.117 0.027 0.000 1.083 400 I CA 0.292 61.682 61.300 0.150 0.000 1.372 400 I CB -0.049 38.010 38.000 0.099 0.000 1.408 400 I HN 0.779 nan 8.210 nan 0.000 0.516 401 D N 8.187 128.557 120.400 -0.051 0.000 3.205 401 D HA -0.140 4.500 4.640 -0.000 0.000 0.227 401 D C -1.389 174.846 176.300 -0.109 0.000 1.171 401 D CA -0.034 53.797 54.000 -0.282 0.000 0.929 401 D CB 0.314 41.085 40.800 -0.049 0.000 0.900 401 D HN 0.357 nan 8.370 nan 0.000 0.404 402 P HA -0.183 nan 4.420 nan 0.000 0.216 402 P C 1.418 178.575 177.300 -0.238 0.000 1.150 402 P CA 1.502 64.481 63.100 -0.203 0.000 0.843 402 P CB -0.256 31.275 31.700 -0.281 0.000 0.787 403 W N 0.380 121.700 121.300 0.034 0.000 2.937 403 W HA 0.162 4.822 4.660 0.000 0.000 0.245 403 W C 1.240 177.803 176.519 0.072 0.000 1.306 403 W CA -0.023 57.370 57.345 0.081 0.000 1.470 403 W CB -0.911 28.618 29.460 0.114 0.000 1.132 403 W HN -0.127 nan 8.180 nan 0.000 0.675 404 S N 0.739 116.568 115.700 0.214 0.000 2.702 404 S HA 0.231 4.701 4.470 -0.000 0.000 0.314 404 S C 1.425 176.109 174.600 0.140 0.000 1.244 404 S CA 1.434 59.750 58.200 0.193 0.000 1.058 404 S CB 0.012 63.274 63.200 0.103 0.000 0.783 404 S HN 0.773 nan 8.310 nan 0.000 0.503 405 G N 3.078 111.968 108.800 0.149 0.000 2.336 405 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.233 405 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.233 405 G C 0.453 175.496 174.900 0.238 0.000 1.053 405 G CA 0.523 45.678 45.100 0.092 0.000 0.625 405 G HN 1.886 nan 8.290 nan 0.000 0.511 406 S N 1.374 117.241 115.700 0.279 0.000 2.702 406 S HA 0.408 4.878 4.470 -0.000 0.000 0.314 406 S C 1.892 176.653 174.600 0.268 0.000 1.244 406 S CA 0.861 59.246 58.200 0.308 0.000 1.058 406 S CB 0.909 64.362 63.200 0.421 0.000 0.783 406 S HN 1.855 nan 8.310 nan 0.000 0.503 407 A N 5.711 128.671 122.820 0.234 0.000 1.877 407 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 407 A C 1.898 179.523 177.584 0.068 0.000 1.186 407 A CA 1.658 53.774 52.037 0.132 0.000 0.620 407 A CB -1.181 17.843 19.000 0.040 0.000 0.822 407 A HN 1.082 nan 8.150 nan 0.000 0.443 408 Y N 0.917 121.108 120.300 -0.183 0.000 2.145 408 Y HA -0.171 4.378 4.550 -0.000 0.000 0.286 408 Y C 2.446 178.103 175.900 -0.406 0.000 1.145 408 Y CA 1.608 59.329 58.100 -0.633 0.000 1.148 408 Y CB -0.763 37.391 38.460 -0.509 0.000 0.981 408 Y HN 0.069 nan 8.280 nan 0.000 0.507 409 V N 0.638 120.400 119.914 -0.254 0.000 2.343 409 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 409 V C 2.418 178.474 176.094 -0.063 0.000 1.051 409 V CA 2.176 64.338 62.300 -0.230 0.000 1.036 409 V CB -0.556 31.236 31.823 -0.051 0.000 0.654 409 V HN 0.310 nan 8.190 nan 0.000 0.451 410 E N -0.018 120.238 120.200 0.094 0.000 2.072 410 E HA -0.235 4.115 4.350 -0.000 0.000 0.191 410 E C 2.200 178.935 176.600 0.224 0.000 0.985 410 E CA 1.355 57.904 56.400 0.248 0.000 0.801 410 E CB -0.218 29.668 29.700 0.310 0.000 0.750 410 E HN 0.660 nan 8.360 nan 0.000 0.452 411 E N 1.217 121.465 120.200 0.080 0.000 2.058 411 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 411 E C 2.201 178.843 176.600 0.070 0.000 0.997 411 E CA 0.915 57.377 56.400 0.103 0.000 0.801 411 E CB -0.375 29.302 29.700 -0.039 0.000 0.746 411 E HN 0.189 nan 8.360 nan 0.000 0.450 412 L N -0.069 121.083 121.223 -0.118 0.000 2.046 412 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 412 L C 2.486 179.311 176.870 -0.075 0.000 1.077 412 L CA 1.708 56.456 54.840 -0.154 0.000 0.747 412 L CB -0.781 41.078 42.059 -0.333 0.000 0.896 412 L HN 0.224 nan 8.230 nan 0.000 0.432 413 T N -1.219 113.320 114.554 -0.025 0.000 2.684 413 T HA -0.280 4.070 4.350 -0.000 0.000 0.267 413 T C 1.479 176.234 174.700 0.093 0.000 1.036 413 T CA 1.623 63.702 62.100 -0.036 0.000 1.148 413 T CB -0.399 68.453 68.868 -0.027 0.000 0.863 413 T HN 0.515 nan 8.240 nan 0.000 0.436 414 W N 1.711 123.053 121.300 0.071 0.000 2.358 414 W HA -0.172 4.488 4.660 0.000 0.000 0.303 414 W C 1.740 178.282 176.519 0.038 0.000 1.208 414 W CA 0.692 58.140 57.345 0.172 0.000 1.274 414 W CB 0.029 29.652 29.460 0.272 0.000 1.138 414 W HN 0.247 nan 8.180 nan 0.000 0.515 415 D N 0.671 121.109 120.400 0.064 0.000 2.097 415 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 415 D C 2.239 178.452 176.300 -0.145 0.000 0.989 415 D CA 1.583 55.514 54.000 -0.115 0.000 0.827 415 D CB -0.813 39.954 40.800 -0.056 0.000 0.966 415 D HN 0.239 nan 8.370 nan 0.000 0.456 416 L N 0.517 121.672 121.223 -0.114 0.000 2.072 416 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 416 L C 2.507 179.303 176.870 -0.124 0.000 1.079 416 L CA 0.923 55.683 54.840 -0.134 0.000 0.752 416 L CB -0.360 41.601 42.059 -0.163 0.000 0.906 416 L HN -0.031 nan 8.230 nan 0.000 0.436 417 A N 0.352 123.105 122.820 -0.111 0.000 1.877 417 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 417 A C 2.376 179.904 177.584 -0.094 0.000 1.186 417 A CA 1.656 53.640 52.037 -0.089 0.000 0.620 417 A CB -0.461 18.497 19.000 -0.069 0.000 0.822 417 A HN 0.321 nan 8.150 nan 0.000 0.443 418 R N -0.547 119.809 120.500 -0.240 0.000 2.073 418 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 418 R C 2.314 178.510 176.300 -0.173 0.000 1.120 418 R CA 1.371 57.309 56.100 -0.269 0.000 0.967 418 R CB -0.254 29.715 30.300 -0.551 0.000 0.862 418 R HN 0.439 nan 8.270 nan 0.000 0.436 419 K N 0.456 120.729 120.400 -0.211 0.000 2.026 419 K HA -0.093 4.227 4.320 -0.000 0.000 0.208 419 K C 2.164 178.560 176.600 -0.340 0.000 1.048 419 K CA 1.464 57.586 56.287 -0.276 0.000 0.929 419 K CB -0.145 32.230 32.500 -0.208 0.000 0.713 419 K HN 0.141 nan 8.250 nan 0.000 0.439 420 A N 1.077 123.828 122.820 -0.115 0.000 1.930 420 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 420 A C 1.897 179.530 177.584 0.081 0.000 1.175 420 A CA 0.947 53.001 52.037 0.027 0.000 0.627 420 A CB -0.884 18.153 19.000 0.062 0.000 0.815 420 A HN 0.616 nan 8.150 nan 0.000 0.443 421 W N 0.836 122.077 121.300 -0.098 0.000 2.363 421 W HA -0.138 4.522 4.660 0.000 0.000 0.296 421 W C 1.981 178.456 176.519 -0.073 0.000 1.212 421 W CA 1.420 58.733 57.345 -0.054 0.000 1.260 421 W CB -0.310 29.115 29.460 -0.059 0.000 1.131 421 W HN 0.385 nan 8.180 nan 0.000 0.530 422 G N -0.292 108.449 108.800 -0.098 0.000 2.418 422 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 422 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 422 G C 1.229 176.014 174.900 -0.192 0.000 1.158 422 G CA 1.138 46.122 45.100 -0.193 0.000 0.771 422 G HN 0.300 nan 8.290 nan 0.000 0.545 423 H N 0.439 119.465 119.070 -0.074 0.000 2.389 423 H HA 0.058 4.614 4.556 -0.000 0.000 0.299 423 H C 2.688 177.981 175.328 -0.059 0.000 1.081 423 H CA 0.877 56.895 56.048 -0.051 0.000 1.345 423 H CB -0.280 29.452 29.762 -0.049 0.000 1.393 423 H HN 0.348 nan 8.280 nan 0.000 0.520 424 I N 0.852 121.413 120.570 -0.015 0.000 2.286 424 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 424 I C 2.410 178.372 176.117 -0.259 0.000 1.115 424 I CA 1.160 62.388 61.300 -0.120 0.000 1.392 424 I CB -0.166 37.710 38.000 -0.206 0.000 1.065 424 I HN 0.210 nan 8.210 nan 0.000 0.418 425 Q N 0.169 119.736 119.800 -0.387 0.000 2.123 425 Q HA -0.165 4.175 4.340 -0.000 0.000 0.199 425 Q C 2.058 177.966 176.000 -0.154 0.000 0.966 425 Q CA 1.099 56.700 55.803 -0.337 0.000 0.845 425 Q CB 0.045 28.550 28.738 -0.389 0.000 0.907 425 Q HN 0.531 nan 8.270 nan 0.000 0.439 426 E N -0.059 120.089 120.200 -0.088 0.000 2.028 426 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 426 E C 2.147 178.737 176.600 -0.017 0.000 0.988 426 E CA 1.135 57.519 56.400 -0.028 0.000 0.799 426 E CB 0.022 29.737 29.700 0.025 0.000 0.755 426 E HN 0.085 nan 8.360 nan 0.000 0.447 427 V N 2.093 122.010 119.914 0.004 0.000 2.252 427 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 427 V C 2.232 178.310 176.094 -0.027 0.000 1.056 427 V CA 1.882 64.184 62.300 0.003 0.000 1.022 427 V CB -0.421 31.428 31.823 0.044 0.000 0.641 427 V HN 0.236 nan 8.190 nan 0.000 0.445 428 E N -0.190 119.981 120.200 -0.049 0.000 2.160 428 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 428 E C 2.350 178.923 176.600 -0.045 0.000 0.991 428 E CA 1.159 57.529 56.400 -0.050 0.000 0.810 428 E CB -0.329 29.324 29.700 -0.078 0.000 0.742 428 E HN 0.465 nan 8.360 nan 0.000 0.466 429 K N 0.263 120.634 120.400 -0.048 0.000 2.097 429 K HA -0.027 4.293 4.320 -0.000 0.000 0.206 429 K C 2.143 178.726 176.600 -0.029 0.000 1.049 429 K CA 0.656 56.921 56.287 -0.037 0.000 0.933 429 K CB -0.683 31.795 32.500 -0.036 0.000 0.717 429 K HN 0.049 nan 8.250 nan 0.000 0.442 430 V N -0.459 119.438 119.914 -0.028 0.000 3.573 430 V HA 0.165 4.285 4.120 -0.000 0.000 0.270 430 V C 1.459 177.533 176.094 -0.033 0.000 1.221 430 V CA 1.274 63.557 62.300 -0.029 0.000 1.163 430 V CB -0.182 31.624 31.823 -0.029 0.000 0.847 430 V HN 0.717 nan 8.190 nan 0.000 0.468 431 G N -1.072 107.711 108.800 -0.030 0.000 2.179 431 G HA2 0.107 4.067 3.960 -0.000 0.000 0.220 431 G HA3 0.107 4.067 3.960 -0.000 0.000 0.220 431 G C 0.697 175.579 174.900 -0.030 0.000 0.990 431 G CA -0.088 44.995 45.100 -0.028 0.000 0.646 431 G HN 1.722 nan 8.290 nan 0.000 0.517 432 G N -1.812 106.969 108.800 -0.033 0.000 2.525 432 G HA2 0.241 4.201 3.960 -0.000 0.000 0.685 432 G HA3 0.241 4.201 3.960 -0.000 0.000 0.685 432 G C 0.547 175.409 174.900 -0.064 0.000 1.290 432 G CA 0.288 45.368 45.100 -0.033 0.000 0.915 432 G HN 0.657 nan 8.290 nan 0.000 0.548 433 M N 0.333 119.888 119.600 -0.074 0.000 2.200 433 M HA 0.049 4.529 4.480 -0.000 0.000 0.265 433 M C 2.978 179.193 176.300 -0.142 0.000 1.066 433 M CA 2.449 57.675 55.300 -0.123 0.000 1.127 433 M CB -1.674 30.854 32.600 -0.119 0.000 1.379 433 M HN 1.159 nan 8.290 nan 0.000 0.420 434 A N 0.312 123.050 122.820 -0.137 0.000 1.883 434 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 434 A C 2.282 179.774 177.584 -0.153 0.000 1.186 434 A CA 1.923 53.869 52.037 -0.152 0.000 0.624 434 A CB -0.548 18.364 19.000 -0.147 0.000 0.822 434 A HN 0.432 nan 8.150 nan 0.000 0.444 435 K N -0.418 119.909 120.400 -0.121 0.000 2.097 435 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 435 K C 2.238 178.775 176.600 -0.105 0.000 1.049 435 K CA 1.124 57.348 56.287 -0.105 0.000 0.933 435 K CB -0.284 32.169 32.500 -0.077 0.000 0.717 435 K HN 0.455 nan 8.250 nan 0.000 0.442 436 A N 0.956 123.708 122.820 -0.113 0.000 1.898 436 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 436 A C 2.094 179.593 177.584 -0.143 0.000 1.181 436 A CA 1.183 53.147 52.037 -0.122 0.000 0.620 436 A CB -0.511 18.404 19.000 -0.142 0.000 0.819 436 A HN 0.167 nan 8.150 nan 0.000 0.442 437 I N -0.077 120.396 120.570 -0.163 0.000 2.226 437 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 437 I C 3.054 179.095 176.117 -0.127 0.000 1.100 437 I CA 1.498 62.712 61.300 -0.144 0.000 1.374 437 I CB -0.676 37.248 38.000 -0.126 0.000 1.057 437 I HN 0.518 nan 8.210 nan 0.000 0.413 438 E N 1.798 121.907 120.200 -0.152 0.000 2.070 438 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 438 E C 2.073 178.626 176.600 -0.078 0.000 1.004 438 E CA 1.791 58.112 56.400 -0.133 0.000 0.805 438 E CB -0.826 28.787 29.700 -0.144 0.000 0.744 438 E HN 0.543 nan 8.360 nan 0.000 0.451 439 K N -1.506 118.852 120.400 -0.070 0.000 2.442 439 K HA 0.099 4.419 4.320 -0.000 0.000 0.198 439 K C 1.600 178.177 176.600 -0.038 0.000 1.044 439 K CA 0.486 56.743 56.287 -0.049 0.000 0.948 439 K CB 0.030 32.501 32.500 -0.047 0.000 0.762 439 K HN 0.590 nan 8.250 nan 0.000 0.472 440 G N 1.183 109.958 108.800 -0.041 0.000 2.143 440 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.249 440 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.249 440 G C 0.796 175.680 174.900 -0.027 0.000 0.981 440 G CA 0.222 45.306 45.100 -0.028 0.000 0.665 440 G HN 0.138 nan 8.290 nan 0.000 0.528 441 I N 1.239 121.787 120.570 -0.038 0.000 2.099 441 I HA -0.094 4.076 4.170 -0.000 0.000 0.239 441 I C 0.665 176.776 176.117 -0.009 0.000 1.066 441 I CA 2.017 63.304 61.300 -0.021 0.000 1.324 441 I CB -2.337 35.651 38.000 -0.020 0.000 1.037 441 I HN 0.107 nan 8.210 nan 0.000 0.401 442 P HA -0.237 nan 4.420 nan 0.000 0.216 442 P C 1.854 179.185 177.300 0.052 0.000 1.167 442 P CA 1.921 64.967 63.100 -0.089 0.000 0.914 442 P CB -0.164 31.239 31.700 -0.495 0.000 0.793 443 K N -0.719 119.685 120.400 0.007 0.000 2.063 443 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 443 K C 2.083 178.699 176.600 0.026 0.000 1.048 443 K CA 1.904 58.208 56.287 0.028 0.000 0.928 443 K CB -0.467 32.048 32.500 0.025 0.000 0.713 443 K HN 0.039 nan 8.250 nan 0.000 0.442 444 M N -0.153 119.458 119.600 0.019 0.000 2.175 444 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 444 M C 2.301 178.611 176.300 0.016 0.000 1.063 444 M CA 1.356 56.665 55.300 0.014 0.000 1.119 444 M CB -0.206 32.399 32.600 0.009 0.000 1.377 444 M HN 0.071 nan 8.290 nan 0.000 0.415 445 R N 1.443 121.963 120.500 0.033 0.000 2.073 445 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 445 R C 1.711 178.010 176.300 -0.002 0.000 1.134 445 R CA 1.772 57.886 56.100 0.023 0.000 0.952 445 R CB -0.699 29.645 30.300 0.073 0.000 0.850 445 R HN 0.350 nan 8.270 nan 0.000 0.433 446 I N 0.346 120.929 120.570 0.020 0.000 2.179 446 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 446 I C 2.040 178.134 176.117 -0.039 0.000 1.088 446 I CA 1.777 63.068 61.300 -0.016 0.000 1.357 446 I CB -0.375 37.640 38.000 0.025 0.000 1.051 446 I HN 0.333 nan 8.210 nan 0.000 0.409 447 E N 0.592 120.781 120.200 -0.018 0.000 2.153 447 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 447 E C 2.042 178.633 176.600 -0.015 0.000 0.988 447 E CA 1.017 57.405 56.400 -0.021 0.000 0.811 447 E CB -0.032 29.663 29.700 -0.009 0.000 0.746 447 E HN 0.512 nan 8.360 nan 0.000 0.466 448 E N 0.652 120.846 120.200 -0.011 0.000 2.051 448 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 448 E C 2.132 178.722 176.600 -0.016 0.000 0.991 448 E CA 0.962 57.360 56.400 -0.004 0.000 0.799 448 E CB -0.135 29.562 29.700 -0.006 0.000 0.748 448 E HN 0.235 nan 8.360 nan 0.000 0.449 449 A N 1.508 124.301 122.820 -0.045 0.000 1.908 449 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 449 A C 2.398 179.932 177.584 -0.082 0.000 1.181 449 A CA 1.811 53.805 52.037 -0.071 0.000 0.627 449 A CB -0.688 18.248 19.000 -0.105 0.000 0.818 449 A HN 0.301 nan 8.150 nan 0.000 0.445 450 A N -0.377 122.388 122.820 -0.092 0.000 1.930 450 A HA 0.207 4.527 4.320 -0.000 0.000 0.217 450 A C 2.464 180.048 177.584 0.000 0.000 1.175 450 A CA 1.973 53.949 52.037 -0.101 0.000 0.627 450 A CB -0.866 18.067 19.000 -0.112 0.000 0.815 450 A HN 0.997 nan 8.150 nan 0.000 0.443 451 A N -0.189 122.657 122.820 0.043 0.000 1.872 451 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 451 A C 2.235 179.907 177.584 0.148 0.000 1.187 451 A CA 1.321 53.447 52.037 0.148 0.000 0.614 451 A CB -0.451 18.635 19.000 0.144 0.000 0.826 451 A HN 0.519 nan 8.150 nan 0.000 0.442 452 R N -0.783 119.748 120.500 0.052 0.000 2.080 452 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 452 R C 2.329 178.642 176.300 0.021 0.000 1.137 452 R CA 2.006 58.111 56.100 0.008 0.000 0.943 452 R CB -0.943 29.350 30.300 -0.010 0.000 0.846 452 R HN 0.530 nan 8.270 nan 0.000 0.431 453 T N 0.739 115.313 114.554 0.033 0.000 2.684 453 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 453 T C 1.768 176.559 174.700 0.152 0.000 1.036 453 T CA 1.570 63.717 62.100 0.078 0.000 1.148 453 T CB -0.234 68.642 68.868 0.013 0.000 0.863 453 T HN 0.188 nan 8.240 nan 0.000 0.436 454 Q N 1.144 121.057 119.800 0.189 0.000 2.096 454 Q HA -0.013 4.327 4.340 -0.000 0.000 0.204 454 Q C 2.350 178.499 176.000 0.249 0.000 0.982 454 Q CA 1.869 57.833 55.803 0.269 0.000 0.850 454 Q CB -0.779 28.150 28.738 0.320 0.000 0.901 454 Q HN 0.525 nan 8.270 nan 0.000 0.422 455 A N 0.446 123.309 122.820 0.071 0.000 1.883 455 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 455 A C 2.086 179.606 177.584 -0.107 0.000 1.186 455 A CA 1.868 53.715 52.037 -0.318 0.000 0.624 455 A CB -0.582 18.079 19.000 -0.565 0.000 0.822 455 A HN 0.438 nan 8.150 nan 0.000 0.444 456 R N -0.470 120.014 120.500 -0.026 0.000 2.091 456 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 456 R C 2.019 178.346 176.300 0.045 0.000 1.136 456 R CA 1.734 57.843 56.100 0.015 0.000 0.959 456 R CB -0.521 29.810 30.300 0.050 0.000 0.856 456 R HN 0.609 nan 8.270 nan 0.000 0.437 457 I N 0.721 121.343 120.570 0.088 0.000 2.286 457 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 457 I C 1.432 177.589 176.117 0.066 0.000 1.104 457 I CA 1.067 62.419 61.300 0.085 0.000 1.397 457 I CB -0.381 37.693 38.000 0.123 0.000 1.072 457 I HN 0.075 nan 8.210 nan 0.000 0.417 458 D N 0.951 121.406 120.400 0.092 0.000 2.117 458 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 458 D C 2.402 178.732 176.300 0.051 0.000 0.987 458 D CA 1.889 55.947 54.000 0.097 0.000 0.829 458 D CB -0.205 40.712 40.800 0.196 0.000 0.961 458 D HN 0.352 nan 8.370 nan 0.000 0.460 459 S N -1.119 114.591 115.700 0.017 0.000 2.428 459 S HA 0.129 4.599 4.470 -0.000 0.000 0.230 459 S C 1.884 176.482 174.600 -0.003 0.000 1.014 459 S CA 1.180 59.378 58.200 -0.003 0.000 0.957 459 S CB 0.257 63.439 63.200 -0.030 0.000 0.784 459 S HN 0.362 nan 8.310 nan 0.000 0.499 460 G N 0.378 109.178 108.800 -0.001 0.000 2.201 460 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.212 460 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.212 460 G C 0.999 175.892 174.900 -0.013 0.000 0.994 460 G CA 0.261 45.352 45.100 -0.015 0.000 0.644 460 G HN 0.430 nan 8.290 nan 0.000 0.508 461 R N -0.234 120.266 120.500 -0.000 0.000 2.073 461 R HA 0.103 4.443 4.340 -0.000 0.000 0.234 461 R C 1.554 177.869 176.300 0.025 0.000 1.134 461 R CA 1.827 57.934 56.100 0.010 0.000 0.952 461 R CB -0.639 29.669 30.300 0.014 0.000 0.850 461 R HN 0.742 nan 8.270 nan 0.000 0.433 462 Q N 1.434 121.259 119.800 0.041 0.000 2.360 462 Q HA 0.271 4.611 4.340 -0.000 0.000 0.254 462 Q C -2.612 173.408 176.000 0.033 0.000 0.975 462 Q CA -2.579 53.262 55.803 0.062 0.000 0.912 462 Q CB 1.422 30.224 28.738 0.107 0.000 1.212 462 Q HN 0.112 nan 8.270 nan 0.000 0.452 463 P HA 0.030 nan 4.420 nan 0.000 0.269 463 P C -1.270 176.021 177.300 -0.015 0.000 1.209 463 P CA -0.239 62.845 63.100 -0.026 0.000 0.776 463 P CB 0.548 32.221 31.700 -0.043 0.000 0.876 464 L N 4.249 125.448 121.223 -0.041 0.000 2.563 464 L HA 0.299 4.639 4.340 -0.000 0.000 0.259 464 L C -1.031 175.811 176.870 -0.047 0.000 1.034 464 L CA -0.567 54.245 54.840 -0.046 0.000 0.899 464 L CB 0.409 42.431 42.059 -0.061 0.000 1.159 464 L HN 0.135 nan 8.230 nan 0.000 0.456 465 I N 4.406 124.963 120.570 -0.022 0.000 2.741 465 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 465 I C 1.619 177.748 176.117 0.020 0.000 1.192 465 I CA 1.240 62.548 61.300 0.014 0.000 1.426 465 I CB -0.245 37.798 38.000 0.072 0.000 1.367 465 I HN 0.884 nan 8.210 nan 0.000 0.563 466 G N 4.312 113.134 108.800 0.036 0.000 2.199 466 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.254 466 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.254 466 G C 0.621 175.528 174.900 0.012 0.000 0.982 466 G CA 0.380 45.505 45.100 0.041 0.000 0.632 466 G HN 0.458 nan 8.290 nan 0.000 0.529 467 V N 0.718 120.624 119.914 -0.014 0.000 2.939 467 V HA 0.174 4.294 4.120 -0.000 0.000 0.228 467 V C 1.806 177.885 176.094 -0.025 0.000 1.162 467 V CA 1.799 64.087 62.300 -0.020 0.000 1.222 467 V CB -0.018 31.783 31.823 -0.037 0.000 1.053 467 V HN 0.558 nan 8.190 nan 0.000 0.504 468 N N 0.056 118.729 118.700 -0.045 0.000 2.187 468 N HA 0.175 4.915 4.740 -0.000 0.000 0.212 468 N C -0.183 175.265 175.510 -0.104 0.000 1.152 468 N CA -0.070 52.949 53.050 -0.052 0.000 0.872 468 N CB 0.563 39.028 38.487 -0.037 0.000 1.025 468 N HN 0.520 nan 8.380 nan 0.000 0.514 469 K N -0.071 120.238 120.400 -0.152 0.000 2.561 469 K HA 0.201 4.521 4.320 -0.000 0.000 0.254 469 K C -1.284 175.145 176.600 -0.284 0.000 0.942 469 K CA -0.577 55.508 56.287 -0.336 0.000 0.818 469 K CB 0.629 32.860 32.500 -0.448 0.000 1.306 469 K HN -0.030 nan 8.250 nan 0.000 0.435 470 Y N 0.426 120.728 120.300 0.002 0.000 3.125 470 Y HA -0.274 4.276 4.550 0.000 0.000 0.200 470 Y C 0.041 175.943 175.900 0.003 0.000 1.373 470 Y CA 0.230 58.332 58.100 0.003 0.000 1.180 470 Y CB -1.636 36.827 38.460 0.004 0.000 1.381 470 Y HN 0.481 nan 8.280 nan 0.000 0.501 471 R N 0.701 121.259 120.500 0.096 0.000 2.643 471 R HA 0.370 4.710 4.340 -0.000 0.000 0.270 471 R C 0.481 176.815 176.300 0.057 0.000 1.061 471 R CA -0.578 55.554 56.100 0.054 0.000 1.107 471 R CB 0.571 30.884 30.300 0.020 0.000 0.999 471 R HN 0.388 nan 8.270 nan 0.000 0.460 472 L N 2.348 123.596 121.223 0.043 0.000 2.395 472 L HA 0.102 4.442 4.340 -0.000 0.000 0.269 472 L C 2.183 179.049 176.870 -0.006 0.000 1.133 472 L CA 0.069 54.930 54.840 0.036 0.000 0.812 472 L CB 0.999 43.087 42.059 0.049 0.000 1.125 472 L HN 0.811 nan 8.230 nan 0.000 0.452 473 E N 2.057 122.248 120.200 -0.016 0.000 2.005 473 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 473 E C 0.146 176.579 176.600 -0.278 0.000 1.010 473 E CA 1.647 57.976 56.400 -0.118 0.000 0.825 473 E CB -0.555 nan 29.700 nan 0.000 0.769 473 E HN 0.781 nan 8.360 nan 0.000 0.456 474 H N -0.816 118.271 119.070 0.029 0.000 2.572 474 H HA 0.486 5.042 4.556 -0.000 0.000 0.359 474 H C -0.952 174.393 175.328 0.028 0.000 1.134 474 H CA -0.892 55.172 56.048 0.028 0.000 1.187 474 H CB 1.829 31.604 29.762 0.021 0.000 1.597 474 H HN 0.189 nan 8.280 nan 0.000 0.524 475 E N 3.546 123.833 120.200 0.145 0.000 2.229 475 E HA 0.191 4.540 4.350 -0.000 0.000 0.283 475 E C -2.024 174.626 176.600 0.083 0.000 1.030 475 E CA -1.899 54.558 56.400 0.094 0.000 0.836 475 E CB 0.548 30.289 29.700 0.069 0.000 1.068 475 E HN 0.463 nan 8.360 nan 0.000 0.401 476 P HA 0.188 nan 4.420 nan 0.000 0.269 476 P C -2.384 174.938 177.300 0.037 0.000 1.215 476 P CA -1.075 62.055 63.100 0.050 0.000 0.780 476 P CB -0.534 31.197 31.700 0.052 0.000 0.898 477 P HA 0.160 nan 4.420 nan 0.000 0.268 477 P C -0.990 176.317 177.300 0.012 0.000 1.204 477 P CA -0.024 63.074 63.100 -0.003 0.000 0.768 477 P CB 0.290 31.979 31.700 -0.018 0.000 0.842 478 L N 2.901 124.123 121.223 -0.002 0.000 2.381 478 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 478 L C -0.861 176.002 176.870 -0.011 0.000 0.988 478 L CA -0.510 54.337 54.840 0.011 0.000 0.824 478 L CB 1.544 43.612 42.059 0.014 0.000 1.263 478 L HN 0.128 nan 8.230 nan 0.000 0.410 479 D N 3.838 124.235 120.400 -0.006 0.000 2.339 479 D HA 0.420 5.060 4.640 -0.000 0.000 0.256 479 D C -0.360 175.930 176.300 -0.016 0.000 1.214 479 D CA 0.414 54.403 54.000 -0.019 0.000 0.877 479 D CB 1.149 41.935 40.800 -0.024 0.000 1.111 479 D HN 0.385 nan 8.370 nan 0.000 0.478 480 V N 0.369 120.264 119.914 -0.031 0.000 2.864 480 V HA 0.507 4.627 4.120 -0.000 0.000 0.314 480 V C -0.168 175.889 176.094 -0.062 0.000 1.073 480 V CA -1.363 60.913 62.300 -0.040 0.000 0.956 480 V CB 1.784 33.586 31.823 -0.036 0.000 1.023 480 V HN 0.283 nan 8.190 nan 0.000 0.435 481 L N 2.315 123.481 121.223 -0.096 0.000 2.455 481 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 481 L C 0.060 176.872 176.870 -0.096 0.000 1.174 481 L CA 0.442 55.193 54.840 -0.148 0.000 0.869 481 L CB 0.250 42.143 42.059 -0.276 0.000 1.130 481 L HN 0.982 nan 8.230 nan 0.000 0.474 482 K N 4.403 124.756 120.400 -0.078 0.000 2.323 482 K HA 0.567 4.887 4.320 -0.000 0.000 0.259 482 K C -1.552 175.031 176.600 -0.029 0.000 0.947 482 K CA -0.778 55.486 56.287 -0.039 0.000 0.819 482 K CB 1.494 33.978 32.500 -0.026 0.000 1.109 482 K HN 0.544 nan 8.250 nan 0.000 0.429 483 V N 3.235 123.145 119.914 -0.006 0.000 2.509 483 V HA 0.095 4.215 4.120 -0.000 0.000 0.284 483 V C -0.335 175.765 176.094 0.011 0.000 1.047 483 V CA -0.509 61.805 62.300 0.024 0.000 0.952 483 V CB 1.435 33.291 31.823 0.055 0.000 0.988 483 V HN 0.814 nan 8.190 nan 0.000 0.469 484 D N 3.547 123.956 120.400 0.015 0.000 2.441 484 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 484 D C 1.204 177.506 176.300 0.003 0.000 1.156 484 D CA 0.062 54.064 54.000 0.002 0.000 0.896 484 D CB 0.319 41.120 40.800 0.001 0.000 1.028 484 D HN 0.543 nan 8.370 nan 0.000 0.509 485 N N 2.507 121.205 118.700 -0.004 0.000 2.069 485 N HA -0.251 4.489 4.740 -0.000 0.000 0.191 485 N C 1.553 177.061 175.510 -0.003 0.000 1.031 485 N CA 1.632 54.680 53.050 -0.002 0.000 0.852 485 N CB 0.140 38.620 38.487 -0.012 0.000 1.018 485 N HN 0.470 nan 8.380 nan 0.000 0.423 486 S N -0.792 114.904 115.700 -0.007 0.000 2.383 486 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 486 S C 2.107 176.705 174.600 -0.003 0.000 1.030 486 S CA 1.977 60.174 58.200 -0.006 0.000 1.002 486 S CB -0.947 62.248 63.200 -0.008 0.000 0.829 486 S HN 0.450 nan 8.310 nan 0.000 0.467 487 T N 0.732 115.285 114.554 -0.002 0.000 2.942 487 T HA 0.061 4.411 4.350 -0.000 0.000 0.265 487 T C 1.698 176.397 174.700 -0.003 0.000 1.062 487 T CA 1.117 63.215 62.100 -0.003 0.000 1.139 487 T CB -0.559 68.308 68.868 -0.003 0.000 0.883 487 T HN 0.302 nan 8.240 nan 0.000 0.468 488 V N 1.810 121.723 119.914 -0.001 0.000 2.270 488 V HA -0.051 4.069 4.120 -0.000 0.000 0.245 488 V C 2.571 178.666 176.094 0.001 0.000 1.043 488 V CA 1.400 63.699 62.300 -0.002 0.000 1.014 488 V CB -0.956 30.869 31.823 0.003 0.000 0.645 488 V HN 0.364 nan 8.190 nan 0.000 0.447 489 L N 0.995 122.220 121.223 0.004 0.000 1.971 489 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 489 L C 2.552 179.425 176.870 0.005 0.000 1.072 489 L CA 2.531 57.374 54.840 0.005 0.000 0.758 489 L CB -1.243 40.817 42.059 0.002 0.000 0.889 489 L HN 0.274 nan 8.230 nan 0.000 0.433 490 A N -1.119 121.702 122.820 0.003 0.000 1.883 490 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 490 A C 2.139 179.726 177.584 0.005 0.000 1.186 490 A CA 1.873 53.912 52.037 0.003 0.000 0.624 490 A CB -0.655 18.346 19.000 0.001 0.000 0.822 490 A HN 0.620 nan 8.150 nan 0.000 0.444 491 E N -0.709 119.492 120.200 0.002 0.000 2.077 491 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 491 E C 2.313 178.921 176.600 0.013 0.000 0.989 491 E CA 1.260 57.661 56.400 0.002 0.000 0.800 491 E CB -0.189 29.506 29.700 -0.009 0.000 0.746 491 E HN 0.542 nan 8.360 nan 0.000 0.452 492 Q N 0.985 120.794 119.800 0.015 0.000 2.050 492 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 492 Q C 2.021 178.040 176.000 0.030 0.000 0.980 492 Q CA 1.251 57.070 55.803 0.027 0.000 0.840 492 Q CB -0.270 28.482 28.738 0.023 0.000 0.898 492 Q HN 0.225 nan 8.270 nan 0.000 0.424 493 K N 0.552 120.965 120.400 0.022 0.000 2.020 493 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 493 K C 2.093 178.709 176.600 0.028 0.000 1.050 493 K CA 1.500 57.799 56.287 0.021 0.000 0.929 493 K CB -0.300 32.208 32.500 0.014 0.000 0.714 493 K HN 0.185 nan 8.250 nan 0.000 0.443 494 A N 1.785 124.621 122.820 0.027 0.000 1.940 494 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 494 A C 1.886 179.505 177.584 0.058 0.000 1.176 494 A CA 1.631 53.687 52.037 0.032 0.000 0.631 494 A CB -0.325 18.687 19.000 0.020 0.000 0.814 494 A HN 0.220 nan 8.150 nan 0.000 0.446 495 K N -0.606 119.840 120.400 0.078 0.000 2.057 495 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 495 K C 1.774 178.473 176.600 0.165 0.000 1.050 495 K CA 1.306 57.687 56.287 0.156 0.000 0.935 495 K CB -0.343 32.256 32.500 0.164 0.000 0.715 495 K HN 0.473 nan 8.250 nan 0.000 0.439 496 L N 0.639 121.909 121.223 0.078 0.000 2.291 496 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 496 L C 2.230 179.115 176.870 0.025 0.000 1.120 496 L CA 0.378 55.234 54.840 0.027 0.000 0.799 496 L CB -0.157 41.909 42.059 0.012 0.000 0.925 496 L HN -0.044 nan 8.230 nan 0.000 0.446 497 V N -0.074 119.865 119.914 0.042 0.000 2.283 497 V HA -0.269 3.851 4.120 -0.000 0.000 0.243 497 V C 2.531 178.656 176.094 0.052 0.000 1.039 497 V CA 1.744 64.065 62.300 0.035 0.000 1.016 497 V CB -0.398 31.443 31.823 0.030 0.000 0.650 497 V HN 0.414 nan 8.190 nan 0.000 0.449 498 K N -0.049 120.406 120.400 0.091 0.000 2.001 498 K HA -0.262 4.058 4.320 -0.000 0.000 0.214 498 K C 2.260 178.959 176.600 0.166 0.000 1.050 498 K CA 2.268 58.638 56.287 0.137 0.000 0.934 498 K CB -0.437 32.170 32.500 0.178 0.000 0.718 498 K HN 0.291 nan 8.250 nan 0.000 0.443 499 L N 1.580 122.899 121.223 0.161 0.000 2.051 499 L HA -0.234 4.106 4.340 -0.000 0.000 0.214 499 L C 2.512 179.339 176.870 -0.073 0.000 1.076 499 L CA 1.724 56.500 54.840 -0.107 0.000 0.758 499 L CB -0.260 41.544 42.059 -0.425 0.000 0.890 499 L HN 0.197 nan 8.230 nan 0.000 0.433 500 R N -1.062 119.415 120.500 -0.037 0.000 2.096 500 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 500 R C 2.209 178.505 176.300 -0.006 0.000 1.127 500 R CA 1.194 57.278 56.100 -0.026 0.000 0.968 500 R CB -0.465 29.826 30.300 -0.016 0.000 0.861 500 R HN 0.562 nan 8.270 nan 0.000 0.440 501 A N 0.681 123.510 122.820 0.014 0.000 1.872 501 A HA -0.114 4.207 4.320 -0.000 0.000 0.214 501 A C 2.053 179.653 177.584 0.026 0.000 1.187 501 A CA 1.256 53.306 52.037 0.021 0.000 0.614 501 A CB -0.229 18.789 19.000 0.031 0.000 0.826 501 A HN 0.170 nan 8.150 nan 0.000 0.442 502 E N -0.177 120.051 120.200 0.046 0.000 2.208 502 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 502 E C 1.121 177.739 176.600 0.031 0.000 0.988 502 E CA 0.791 57.225 56.400 0.058 0.000 0.828 502 E CB -0.457 29.320 29.700 0.129 0.000 0.763 502 E HN 0.851 nan 8.360 nan 0.000 0.478 503 R N 1.031 121.531 120.500 0.001 0.000 2.577 503 R HA 0.297 4.637 4.340 -0.000 0.000 0.269 503 R C -0.377 175.916 176.300 -0.012 0.000 1.084 503 R CA -0.541 55.550 56.100 -0.016 0.000 1.163 503 R CB 0.459 30.730 30.300 -0.048 0.000 1.100 503 R HN -0.077 nan 8.270 nan 0.000 0.547 504 D N 1.772 122.164 120.400 -0.014 0.000 2.347 504 D HA 0.165 4.805 4.640 -0.000 0.000 0.235 504 D C -1.603 174.686 176.300 -0.019 0.000 1.149 504 D CA -2.639 51.353 54.000 -0.013 0.000 0.850 504 D CB 1.620 42.413 40.800 -0.013 0.000 1.061 504 D HN 0.338 nan 8.370 nan 0.000 0.487 505 P HA -0.041 nan 4.420 nan 0.000 0.226 505 P C 0.990 178.279 177.300 -0.020 0.000 1.153 505 P CA 0.897 63.985 63.100 -0.019 0.000 0.777 505 P CB 0.277 31.968 31.700 -0.016 0.000 0.794 506 E N 1.903 122.091 120.200 -0.019 0.000 2.006 506 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 506 E C 1.976 178.562 176.600 -0.025 0.000 0.993 506 E CA 1.512 57.899 56.400 -0.021 0.000 0.808 506 E CB -1.322 nan 29.700 nan 0.000 0.764 506 E HN 0.293 nan 8.360 nan 0.000 0.449 507 K N -0.064 120.321 120.400 -0.025 0.000 2.044 507 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 507 K C 2.364 178.946 176.600 -0.029 0.000 1.049 507 K CA 1.556 57.826 56.287 -0.027 0.000 0.927 507 K CB -0.559 31.926 32.500 -0.024 0.000 0.713 507 K HN 0.238 nan 8.250 nan 0.000 0.443 508 V N 1.750 121.647 119.914 -0.029 0.000 2.255 508 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 508 V C 2.386 178.463 176.094 -0.029 0.000 1.051 508 V CA 1.781 64.061 62.300 -0.032 0.000 1.018 508 V CB -0.402 31.401 31.823 -0.034 0.000 0.641 508 V HN 0.341 nan 8.190 nan 0.000 0.445 509 K N -0.333 120.052 120.400 -0.026 0.000 2.057 509 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 509 K C 2.212 178.797 176.600 -0.025 0.000 1.049 509 K CA 1.502 57.775 56.287 -0.023 0.000 0.931 509 K CB -0.278 32.209 32.500 -0.021 0.000 0.714 509 K HN 0.452 nan 8.250 nan 0.000 0.440 510 A N 1.119 123.921 122.820 -0.030 0.000 1.855 510 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 510 A C 2.332 179.897 177.584 -0.031 0.000 1.191 510 A CA 1.904 53.919 52.037 -0.037 0.000 0.613 510 A CB -0.837 18.137 19.000 -0.043 0.000 0.829 510 A HN 0.432 nan 8.150 nan 0.000 0.442 511 A N -0.179 122.624 122.820 -0.028 0.000 1.883 511 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 511 A C 2.220 179.794 177.584 -0.017 0.000 1.186 511 A CA 1.642 53.665 52.037 -0.023 0.000 0.624 511 A CB -0.732 18.251 19.000 -0.027 0.000 0.822 511 A HN 0.482 nan 8.150 nan 0.000 0.444 512 L N -0.688 120.522 121.223 -0.021 0.000 1.970 512 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 512 L C 2.306 179.170 176.870 -0.010 0.000 1.071 512 L CA 1.750 56.578 54.840 -0.020 0.000 0.751 512 L CB -0.882 41.164 42.059 -0.022 0.000 0.889 512 L HN 0.297 nan 8.230 nan 0.000 0.432 513 D N 0.014 120.411 120.400 -0.005 0.000 2.158 513 D HA -0.215 4.425 4.640 -0.000 0.000 0.197 513 D C 2.115 178.449 176.300 0.056 0.000 0.995 513 D CA 1.191 55.199 54.000 0.013 0.000 0.846 513 D CB -0.054 40.745 40.800 -0.002 0.000 0.941 513 D HN 0.194 nan 8.370 nan 0.000 0.456 514 K N 0.173 120.602 120.400 0.049 0.000 2.032 514 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 514 K C 2.238 178.938 176.600 0.167 0.000 1.048 514 K CA 0.900 57.257 56.287 0.118 0.000 0.927 514 K CB -0.164 32.362 32.500 0.043 0.000 0.712 514 K HN 0.099 nan 8.250 nan 0.000 0.441 515 I N 0.584 121.190 120.570 0.060 0.000 2.118 515 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 515 I C 2.173 178.262 176.117 -0.046 0.000 1.070 515 I CA 1.759 63.059 61.300 0.000 0.000 1.327 515 I CB -0.548 37.431 38.000 -0.035 0.000 1.034 515 I HN 0.281 nan 8.210 nan 0.000 0.405 516 T N -0.394 114.133 114.554 -0.044 0.000 2.720 516 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 516 T C 1.348 176.015 174.700 -0.056 0.000 1.037 516 T CA 1.639 63.680 62.100 -0.098 0.000 1.144 516 T CB -0.535 68.294 68.868 -0.064 0.000 0.864 516 T HN 0.554 nan 8.240 nan 0.000 0.444 517 W N 2.312 123.546 121.300 -0.111 0.000 2.332 517 W HA -0.110 4.550 4.660 -0.000 0.000 0.321 517 W C 2.624 179.089 176.519 -0.091 0.000 1.219 517 W CA 1.390 58.682 57.345 -0.088 0.000 1.277 517 W CB -0.791 28.631 29.460 -0.063 0.000 1.161 517 W HN 0.232 nan 8.180 nan 0.000 0.476 518 A N 0.836 123.544 122.820 -0.187 0.000 1.908 518 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 518 A C 2.128 179.493 177.584 -0.366 0.000 1.181 518 A CA 2.879 54.666 52.037 -0.416 0.000 0.627 518 A CB -1.621 17.322 19.000 -0.095 0.000 0.818 518 A HN 0.535 nan 8.150 nan 0.000 0.445 519 A N -0.628 122.000 122.820 -0.320 0.000 1.883 519 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 519 A C 2.388 179.743 177.584 -0.382 0.000 1.186 519 A CA 2.006 53.782 52.037 -0.434 0.000 0.624 519 A CB -1.314 17.195 19.000 -0.819 0.000 0.822 519 A HN 0.785 nan 8.150 nan 0.000 0.444 520 G N -1.148 107.433 108.800 -0.364 0.000 2.511 520 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.217 520 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.217 520 G C 0.627 175.340 174.900 -0.312 0.000 1.133 520 G CA 0.278 45.210 45.100 -0.279 0.000 0.792 520 G HN 0.520 nan 8.290 nan 0.000 0.539 521 N N 1.545 119.945 118.700 -0.500 0.000 2.904 521 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 521 N C -3.030 172.215 175.510 -0.442 0.000 1.363 521 N CA -0.843 51.900 53.050 -0.511 0.000 0.856 521 N CB 2.112 40.082 38.487 -0.861 0.000 1.166 521 N HN 0.167 nan 8.380 nan 0.000 0.499 522 P HA 0.130 nan 4.420 nan 0.000 0.271 522 P C -0.744 176.479 177.300 -0.130 0.000 1.220 522 P CA 0.207 63.206 63.100 -0.169 0.000 0.768 522 P CB 1.062 32.708 31.700 -0.090 0.000 0.848 523 D N 2.235 122.572 120.400 -0.104 0.000 2.386 523 D HA 0.077 4.718 4.640 -0.000 0.000 0.247 523 D C 0.596 176.879 176.300 -0.029 0.000 1.336 523 D CA -0.370 53.597 54.000 -0.055 0.000 0.976 523 D CB 0.561 41.340 40.800 -0.035 0.000 1.257 523 D HN 0.212 nan 8.370 nan 0.000 0.570 524 D N 2.270 122.657 120.400 -0.022 0.000 2.263 524 D HA -0.179 4.461 4.640 -0.000 0.000 0.208 524 D C 0.930 177.230 176.300 0.002 0.000 0.971 524 D CA 1.089 55.082 54.000 -0.011 0.000 0.867 524 D CB 0.153 40.944 40.800 -0.015 0.000 0.929 524 D HN 0.188 nan 8.370 nan 0.000 0.492 525 K N -0.503 119.901 120.400 0.006 0.000 2.487 525 K HA 0.111 4.431 4.320 -0.000 0.000 0.192 525 K C -0.202 176.411 176.600 0.023 0.000 1.027 525 K CA 0.368 56.663 56.287 0.013 0.000 1.054 525 K CB 0.191 32.699 32.500 0.013 0.000 0.824 525 K HN 0.140 nan 8.250 nan 0.000 0.510 526 D N -0.000 120.417 120.400 0.029 0.000 2.461 526 D HA 0.159 4.799 4.640 -0.000 0.000 0.240 526 D C -1.994 174.338 176.300 0.053 0.000 1.094 526 D CA -2.586 51.442 54.000 0.046 0.000 0.868 526 D CB 1.407 42.247 40.800 0.067 0.000 1.062 526 D HN -0.209 nan 8.370 nan 0.000 0.530 527 P HA -0.089 nan 4.420 nan 0.000 0.216 527 P C 0.698 178.049 177.300 0.086 0.000 1.150 527 P CA 0.793 63.932 63.100 0.064 0.000 0.837 527 P CB 0.359 32.087 31.700 0.046 0.000 0.786 528 D N -0.879 119.572 120.400 0.084 0.000 2.309 528 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 528 D C 1.865 178.242 176.300 0.127 0.000 0.968 528 D CA 0.757 54.813 54.000 0.094 0.000 0.882 528 D CB -0.044 40.804 40.800 0.080 0.000 0.918 528 D HN 0.231 nan 8.370 nan 0.000 0.503 529 R N 0.702 121.287 120.500 0.142 0.000 2.312 529 R HA 0.012 4.352 4.340 -0.000 0.000 0.205 529 R C 0.687 177.026 176.300 0.064 0.000 0.904 529 R CA -0.292 55.899 56.100 0.151 0.000 1.052 529 R CB 0.252 30.614 30.300 0.102 0.000 1.014 529 R HN -0.032 nan 8.270 nan 0.000 0.503 530 N N 1.538 120.277 118.700 0.065 0.000 2.357 530 N HA -0.120 4.620 4.740 -0.000 0.000 0.257 530 N C 1.024 176.536 175.510 0.005 0.000 1.250 530 N CA 0.319 53.397 53.050 0.046 0.000 0.862 530 N CB 0.750 39.306 38.487 0.114 0.000 1.066 530 N HN 0.205 nan 8.380 nan 0.000 0.468 531 L N 3.159 124.368 121.223 -0.023 0.000 2.083 531 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 531 L C 2.204 179.017 176.870 -0.096 0.000 1.083 531 L CA 0.714 55.526 54.840 -0.047 0.000 0.752 531 L CB -0.339 41.701 42.059 -0.033 0.000 0.899 531 L HN 0.553 nan 8.230 nan 0.000 0.433 532 L N 0.190 121.317 121.223 -0.160 0.000 2.044 532 L HA -0.180 4.160 4.340 -0.000 0.000 0.205 532 L C 2.546 179.189 176.870 -0.379 0.000 1.075 532 L CA 1.786 56.443 54.840 -0.306 0.000 0.747 532 L CB -0.807 40.971 42.059 -0.467 0.000 0.903 532 L HN 0.109 nan 8.230 nan 0.000 0.435 533 K N -0.132 120.068 120.400 -0.333 0.000 2.063 533 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 533 K C 2.005 178.555 176.600 -0.083 0.000 1.048 533 K CA 1.962 58.149 56.287 -0.166 0.000 0.928 533 K CB -0.311 32.234 32.500 0.076 0.000 0.713 533 K HN 0.475 nan 8.250 nan 0.000 0.442 534 L N 0.061 121.253 121.223 -0.052 0.000 2.313 534 L HA -0.120 4.220 4.340 -0.000 0.000 0.214 534 L C 2.607 179.447 176.870 -0.051 0.000 1.119 534 L CA 0.274 55.099 54.840 -0.026 0.000 0.809 534 L CB -0.225 41.841 42.059 0.012 0.000 0.933 534 L HN 0.215 nan 8.230 nan 0.000 0.449 535 C N -0.118 119.131 119.300 -0.085 0.000 2.467 535 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 535 C C 2.712 177.647 174.990 -0.092 0.000 1.347 535 C CA 0.217 59.184 59.018 -0.085 0.000 1.748 535 C CB -0.365 27.317 27.740 -0.097 0.000 1.977 535 C HN 0.426 nan 8.230 nan 0.000 0.501 536 I N 0.994 121.493 120.570 -0.119 0.000 2.179 536 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 536 I C 2.158 178.237 176.117 -0.063 0.000 1.088 536 I CA 1.577 62.813 61.300 -0.106 0.000 1.357 536 I CB -0.433 37.486 38.000 -0.136 0.000 1.051 536 I HN 0.344 nan 8.210 nan 0.000 0.409 537 D N 0.885 121.255 120.400 -0.050 0.000 2.097 537 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 537 D C 2.263 178.541 176.300 -0.036 0.000 0.984 537 D CA 1.577 55.558 54.000 -0.033 0.000 0.826 537 D CB -0.192 40.595 40.800 -0.021 0.000 0.973 537 D HN 0.332 nan 8.370 nan 0.000 0.460 538 A N 0.900 123.696 122.820 -0.040 0.000 1.902 538 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 538 A C 2.365 179.921 177.584 -0.047 0.000 1.181 538 A CA 2.071 54.084 52.037 -0.041 0.000 0.623 538 A CB -1.029 17.947 19.000 -0.040 0.000 0.818 538 A HN 0.304 nan 8.150 nan 0.000 0.443 539 G N -0.821 107.949 108.800 -0.050 0.000 2.408 539 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 539 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 539 G C 1.728 176.602 174.900 -0.043 0.000 1.150 539 G CA 0.937 46.008 45.100 -0.049 0.000 0.776 539 G HN 0.544 nan 8.290 nan 0.000 0.542 540 R N 0.490 120.967 120.500 -0.038 0.000 2.092 540 R HA 0.106 4.446 4.340 -0.000 0.000 0.231 540 R C 2.548 178.832 176.300 -0.028 0.000 1.119 540 R CA 1.139 57.222 56.100 -0.028 0.000 0.970 540 R CB -0.243 30.042 30.300 -0.025 0.000 0.864 540 R HN 0.272 nan 8.270 nan 0.000 0.440 541 A N 0.144 122.944 122.820 -0.034 0.000 2.235 541 A HA 0.093 4.413 4.320 -0.000 0.000 0.208 541 A C 0.928 178.482 177.584 -0.049 0.000 1.172 541 A CA 0.628 52.644 52.037 -0.035 0.000 0.786 541 A CB -0.169 18.811 19.000 -0.034 0.000 0.804 541 A HN 0.564 nan 8.150 nan 0.000 0.479 542 M N -2.952 116.608 119.600 -0.068 0.000 2.936 542 M HA -0.179 4.301 4.480 -0.000 0.000 0.216 542 M C 0.446 176.679 176.300 -0.112 0.000 0.544 542 M CA 0.262 55.496 55.300 -0.110 0.000 0.774 542 M CB -2.165 30.355 32.600 -0.133 0.000 2.799 542 M HN 0.586 nan 8.290 nan 0.000 0.474 543 A N 0.613 123.385 122.820 -0.079 0.000 2.366 543 A HA 0.657 4.977 4.320 -0.000 0.000 0.249 543 A C 0.834 178.374 177.584 -0.074 0.000 1.084 543 A CA 0.515 52.511 52.037 -0.068 0.000 0.794 543 A CB 0.391 19.361 19.000 -0.051 0.000 1.034 543 A HN 0.518 nan 8.150 nan 0.000 0.491 544 T N -1.644 112.873 114.554 -0.062 0.000 2.897 544 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 544 T C 1.093 175.768 174.700 -0.041 0.000 0.981 544 T CA -0.043 62.024 62.100 -0.055 0.000 0.973 544 T CB 0.753 69.595 68.868 -0.044 0.000 1.092 544 T HN 0.370 nan 8.240 nan 0.000 0.543 545 V N 1.425 121.317 119.914 -0.037 0.000 2.307 545 V HA 0.029 4.149 4.120 -0.000 0.000 0.245 545 V C 2.891 178.959 176.094 -0.043 0.000 1.045 545 V CA 2.401 64.674 62.300 -0.044 0.000 1.024 545 V CB -1.518 30.274 31.823 -0.053 0.000 0.651 545 V HN 1.101 nan 8.190 nan 0.000 0.449 546 G N -0.587 108.197 108.800 -0.028 0.000 2.433 546 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 546 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 546 G C 1.419 176.310 174.900 -0.016 0.000 1.186 546 G CA 0.956 46.043 45.100 -0.022 0.000 0.779 546 G HN 0.556 nan 8.290 nan 0.000 0.543 547 E N 0.052 120.243 120.200 -0.015 0.000 2.033 547 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 547 E C 2.673 179.264 176.600 -0.016 0.000 1.011 547 E CA 1.503 57.894 56.400 -0.015 0.000 0.815 547 E CB -0.264 29.422 29.700 -0.023 0.000 0.755 547 E HN 0.409 nan 8.360 nan 0.000 0.451 548 M N 0.524 120.111 119.600 -0.021 0.000 2.106 548 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 548 M C 2.425 178.730 176.300 0.008 0.000 1.068 548 M CA 1.255 56.544 55.300 -0.018 0.000 1.100 548 M CB -0.266 32.317 32.600 -0.028 0.000 1.351 548 M HN -0.009 nan 8.290 nan 0.000 0.404 549 S N 0.184 115.900 115.700 0.026 0.000 2.402 549 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 549 S C 1.379 176.049 174.600 0.117 0.000 1.021 549 S CA 1.081 59.342 58.200 0.101 0.000 0.974 549 S CB -0.304 62.890 63.200 -0.009 0.000 0.800 549 S HN 0.408 nan 8.310 nan 0.000 0.484 550 D N 1.915 122.337 120.400 0.036 0.000 2.117 550 D HA 0.053 4.693 4.640 -0.000 0.000 0.198 550 D C 2.151 178.462 176.300 0.018 0.000 0.982 550 D CA 1.180 55.199 54.000 0.031 0.000 0.828 550 D CB -0.476 40.333 40.800 0.014 0.000 0.967 550 D HN 0.357 nan 8.370 nan 0.000 0.464 551 A N 0.221 123.035 122.820 -0.009 0.000 1.978 551 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 551 A C 2.264 179.775 177.584 -0.122 0.000 1.170 551 A CA 1.008 53.015 52.037 -0.051 0.000 0.636 551 A CB -0.579 18.393 19.000 -0.047 0.000 0.810 551 A HN 0.238 nan 8.150 nan 0.000 0.448 552 L N -1.467 119.678 121.223 -0.129 0.000 2.249 552 L HA 0.003 4.343 4.340 -0.000 0.000 0.207 552 L C 2.422 179.098 176.870 -0.323 0.000 1.090 552 L CA 1.061 55.695 54.840 -0.343 0.000 0.802 552 L CB -0.299 41.599 42.059 -0.268 0.000 0.947 552 L HN 0.468 nan 8.230 nan 0.000 0.453 553 E N 0.471 120.697 120.200 0.043 0.000 2.204 553 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 553 E C 1.845 178.473 176.600 0.047 0.000 0.989 553 E CA 0.693 57.211 56.400 0.195 0.000 0.824 553 E CB 0.306 30.154 29.700 0.246 0.000 0.756 553 E HN 0.247 nan 8.360 nan 0.000 0.477 554 K N 0.143 120.516 120.400 -0.045 0.000 2.032 554 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 554 K C 2.135 178.680 176.600 -0.092 0.000 1.048 554 K CA 1.133 57.386 56.287 -0.057 0.000 0.927 554 K CB -0.512 31.941 32.500 -0.079 0.000 0.712 554 K HN 0.127 nan 8.250 nan 0.000 0.441 555 V N 0.205 119.980 119.914 -0.231 0.000 2.426 555 V HA -0.107 4.013 4.120 -0.000 0.000 0.242 555 V C 2.079 178.118 176.094 -0.092 0.000 1.036 555 V CA 1.193 63.340 62.300 -0.254 0.000 1.044 555 V CB -0.438 31.074 31.823 -0.518 0.000 0.688 555 V HN 0.016 nan 8.190 nan 0.000 0.462 556 F N 0.968 120.877 119.950 -0.068 0.000 2.416 556 F HA 0.478 5.005 4.527 0.000 0.000 0.296 556 F C 1.632 177.486 175.800 0.090 0.000 1.099 556 F CA 0.416 58.396 58.000 -0.033 0.000 1.427 556 F CB -1.143 37.739 39.000 -0.197 0.000 1.079 556 F HN 0.290 nan 8.300 nan 0.000 0.536 557 G N 0.682 109.662 108.800 0.301 0.000 2.829 557 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.628 557 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.628 557 G C -0.411 174.692 174.900 0.339 0.000 1.412 557 G CA -0.857 44.394 45.100 0.252 0.000 0.864 557 G HN 0.328 nan 8.290 nan 0.000 0.544 558 R N -0.815 119.828 120.500 0.238 0.000 2.589 558 R HA 0.580 4.920 4.340 -0.000 0.000 0.293 558 R C -0.606 175.848 176.300 0.256 0.000 0.963 558 R CA -0.779 55.448 56.100 0.213 0.000 0.905 558 R CB 1.477 31.854 30.300 0.127 0.000 1.144 558 R HN 0.640 nan 8.270 nan 0.000 0.459 559 Y N 0.797 121.199 120.300 0.170 0.000 2.352 559 Y HA 0.346 4.896 4.550 0.000 0.000 0.326 559 Y C -0.729 175.290 175.900 0.198 0.000 1.166 559 Y CA 0.008 58.195 58.100 0.145 0.000 1.182 559 Y CB 1.726 40.261 38.460 0.125 0.000 1.216 559 Y HN 0.441 nan 8.280 nan 0.000 0.474 560 T N 5.355 119.631 114.554 -0.463 0.000 2.824 560 T HA 0.723 5.073 4.350 -0.000 0.000 0.282 560 T C -0.669 173.631 174.700 -0.665 0.000 0.993 560 T CA -0.591 61.346 62.100 -0.272 0.000 0.967 560 T CB 1.118 69.911 68.868 -0.125 0.000 0.960 560 T HN 0.834 nan 8.240 nan 0.000 0.441 561 A N 2.573 125.239 122.820 -0.255 0.000 2.286 561 A HA 0.637 4.957 4.320 -0.000 0.000 0.286 561 A C 0.078 177.598 177.584 -0.107 0.000 1.097 561 A CA -0.663 51.264 52.037 -0.183 0.000 0.821 561 A CB 0.605 19.680 19.000 0.125 0.000 1.076 561 A HN 0.781 nan 8.150 nan 0.000 0.490 562 Q N 0.989 120.747 119.800 -0.070 0.000 2.256 562 Q HA 0.431 4.771 4.340 -0.000 0.000 0.254 562 Q C -0.998 174.997 176.000 -0.008 0.000 0.916 562 Q CA -0.601 55.177 55.803 -0.042 0.000 0.932 562 Q CB 0.582 29.297 28.738 -0.037 0.000 1.207 562 Q HN 0.591 nan 8.270 nan 0.000 0.426 563 I N 4.325 124.890 120.570 -0.009 0.000 2.395 563 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 563 I C 0.071 176.186 176.117 -0.003 0.000 1.023 563 I CA 0.125 61.423 61.300 -0.003 0.000 1.350 563 I CB 0.951 38.946 38.000 -0.010 0.000 1.409 563 I HN 0.690 nan 8.210 nan 0.000 0.507 564 R N 3.700 124.201 120.500 0.000 0.000 2.532 564 R HA 0.540 4.880 4.340 -0.000 0.000 0.297 564 R C -0.936 175.364 176.300 -0.000 0.000 0.984 564 R CA -0.571 55.529 56.100 0.000 0.000 0.884 564 R CB 2.304 32.605 30.300 0.001 0.000 1.182 564 R HN 0.544 nan 8.270 nan 0.000 0.442 565 T N 4.232 118.786 114.554 -0.000 0.000 2.792 565 T HA 0.382 4.732 4.350 -0.000 0.000 0.280 565 T C 0.539 175.242 174.700 0.005 0.000 0.990 565 T CA -0.738 61.362 62.100 -0.001 0.000 0.960 565 T CB 0.957 69.822 68.868 -0.005 0.000 0.939 565 T HN 0.502 nan 8.240 nan 0.000 0.439 566 I N 1.009 121.583 120.570 0.007 0.000 3.004 566 I HA 0.673 4.843 4.170 -0.000 0.000 0.287 566 I C 0.178 176.307 176.117 0.021 0.000 1.144 566 I CA -0.354 60.953 61.300 0.013 0.000 1.353 566 I CB 0.669 38.678 38.000 0.015 0.000 1.417 566 I HN 0.621 nan 8.210 nan 0.000 0.602 567 S N 1.222 116.938 115.700 0.027 0.000 2.546 567 S HA 0.706 5.176 4.470 -0.000 0.000 0.274 567 S C 0.304 174.930 174.600 0.042 0.000 1.121 567 S CA -0.291 57.931 58.200 0.036 0.000 0.887 567 S CB 1.306 64.526 63.200 0.032 0.000 1.094 567 S HN 1.807 nan 8.310 nan 0.000 0.474 568 G N 0.218 109.052 108.800 0.057 0.000 2.184 568 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 568 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 568 G C 0.596 175.532 174.900 0.060 0.000 0.975 568 G CA 0.401 45.536 45.100 0.058 0.000 0.642 568 G HN 1.095 nan 8.290 nan 0.000 0.536 569 V N -0.576 119.381 119.914 0.071 0.000 2.379 569 V HA -0.009 4.111 4.120 -0.000 0.000 0.243 569 V C 2.040 178.187 176.094 0.089 0.000 1.035 569 V CA 2.161 64.498 62.300 0.062 0.000 1.035 569 V CB -0.832 31.023 31.823 0.055 0.000 0.673 569 V HN 0.465 nan 8.190 nan 0.000 0.457 570 Y N 2.394 122.702 120.300 0.013 0.000 2.114 570 Y HA -0.291 4.259 4.550 0.000 0.000 0.284 570 Y C 2.904 178.817 175.900 0.022 0.000 1.143 570 Y CA 2.087 60.199 58.100 0.019 0.000 1.135 570 Y CB -0.372 38.103 38.460 0.025 0.000 0.980 570 Y HN 0.363 nan 8.280 nan 0.000 0.499 571 S N 0.040 115.845 115.700 0.174 0.000 2.359 571 S HA -0.291 4.179 4.470 -0.000 0.000 0.224 571 S C 2.092 176.676 174.600 -0.027 0.000 1.035 571 S CA 1.577 59.818 58.200 0.070 0.000 1.018 571 S CB -0.710 62.554 63.200 0.107 0.000 0.876 571 S HN 0.527 nan 8.310 nan 0.000 0.448 572 K N 1.256 121.650 120.400 -0.010 0.000 2.032 572 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 572 K C 2.290 178.858 176.600 -0.054 0.000 1.048 572 K CA 1.758 58.032 56.287 -0.022 0.000 0.927 572 K CB -0.312 32.185 32.500 -0.004 0.000 0.712 572 K HN 0.341 nan 8.250 nan 0.000 0.441 573 E N 0.261 120.411 120.200 -0.084 0.000 2.045 573 E HA -0.162 4.188 4.350 -0.000 0.000 0.212 573 E C -0.096 176.440 176.600 -0.107 0.000 1.039 573 E CA 1.617 57.958 56.400 -0.098 0.000 0.860 573 E CB 0.084 29.713 29.700 -0.119 0.000 0.776 573 E HN 0.101 nan 8.360 nan 0.000 0.467 574 V N 1.927 121.744 119.914 -0.163 0.000 2.250 574 V HA 0.176 4.296 4.120 -0.000 0.000 0.268 574 V C -0.651 175.384 176.094 -0.098 0.000 1.043 574 V CA -0.483 61.749 62.300 -0.112 0.000 0.814 574 V CB 0.674 32.436 31.823 -0.103 0.000 1.072 574 V HN 0.180 nan 8.190 nan 0.000 0.451 575 K N 2.162 122.525 120.400 -0.061 0.000 2.258 575 K HA 0.327 4.647 4.320 -0.000 0.000 0.264 575 K C 0.779 177.364 176.600 -0.025 0.000 1.007 575 K CA -0.309 55.955 56.287 -0.038 0.000 0.941 575 K CB 0.179 32.664 32.500 -0.023 0.000 0.966 575 K HN 0.722 nan 8.250 nan 0.000 0.480 576 N N -1.476 117.216 118.700 -0.013 0.000 2.878 576 N HA -0.149 4.591 4.740 -0.000 0.000 0.247 576 N C -0.529 174.979 175.510 -0.004 0.000 1.021 576 N CA 1.329 54.376 53.050 -0.006 0.000 0.873 576 N CB -1.619 36.864 38.487 -0.006 0.000 1.128 576 N HN 0.862 nan 8.380 nan 0.000 0.571 577 T N 1.467 116.018 114.554 -0.005 0.000 2.932 577 T HA 0.114 4.464 4.350 -0.000 0.000 0.312 577 T C -0.995 173.711 174.700 0.011 0.000 1.071 577 T CA -0.716 61.385 62.100 0.002 0.000 1.128 577 T CB 1.163 70.032 68.868 0.001 0.000 0.984 577 T HN 0.052 nan 8.240 nan 0.000 0.549 578 P HA -0.040 nan 4.420 nan 0.000 0.218 578 P C 0.979 178.289 177.300 0.017 0.000 1.149 578 P CA 0.996 64.103 63.100 0.012 0.000 0.817 578 P CB 0.269 31.975 31.700 0.010 0.000 0.785 579 E N -0.706 119.508 120.200 0.024 0.000 2.112 579 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 579 E C 2.066 178.688 176.600 0.035 0.000 0.979 579 E CA 0.561 56.979 56.400 0.030 0.000 0.814 579 E CB -1.102 28.621 29.700 0.038 0.000 0.762 579 E HN -0.024 nan 8.360 nan 0.000 0.460 580 V N 1.246 121.187 119.914 0.045 0.000 2.343 580 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 580 V C 2.543 178.655 176.094 0.030 0.000 1.051 580 V CA 2.418 64.751 62.300 0.055 0.000 1.036 580 V CB -1.035 30.828 31.823 0.066 0.000 0.654 580 V HN 0.490 nan 8.190 nan 0.000 0.451 581 E N -0.070 120.141 120.200 0.019 0.000 2.047 581 E HA -0.296 4.054 4.350 -0.000 0.000 0.191 581 E C 2.136 178.739 176.600 0.004 0.000 0.987 581 E CA 1.493 57.899 56.400 0.009 0.000 0.799 581 E CB -0.619 29.086 29.700 0.007 0.000 0.752 581 E HN 0.771 nan 8.360 nan 0.000 0.449 582 E N -0.213 119.990 120.200 0.006 0.000 2.058 582 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 582 E C 2.416 179.012 176.600 -0.007 0.000 0.997 582 E CA 1.106 57.507 56.400 0.002 0.000 0.801 582 E CB -0.273 29.431 29.700 0.007 0.000 0.746 582 E HN 0.474 nan 8.360 nan 0.000 0.450 583 A N 1.244 124.061 122.820 -0.005 0.000 1.865 583 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 583 A C 2.202 179.757 177.584 -0.048 0.000 1.191 583 A CA 1.845 53.869 52.037 -0.022 0.000 0.623 583 A CB -0.619 18.375 19.000 -0.009 0.000 0.826 583 A HN 0.197 nan 8.150 nan 0.000 0.444 584 R N -0.566 119.916 120.500 -0.031 0.000 2.097 584 R HA -0.177 4.163 4.340 -0.000 0.000 0.236 584 R C 2.281 178.551 176.300 -0.050 0.000 1.135 584 R CA 1.983 58.057 56.100 -0.043 0.000 0.934 584 R CB -0.408 29.883 30.300 -0.015 0.000 0.846 584 R HN 0.723 nan 8.270 nan 0.000 0.431 585 E N 0.309 120.491 120.200 -0.031 0.000 2.049 585 E HA -0.244 4.106 4.350 -0.000 0.000 0.198 585 E C 2.014 178.595 176.600 -0.033 0.000 1.007 585 E CA 1.666 58.051 56.400 -0.026 0.000 0.809 585 E CB -0.212 29.479 29.700 -0.014 0.000 0.749 585 E HN 0.254 nan 8.360 nan 0.000 0.450 586 L N 0.255 121.455 121.223 -0.038 0.000 2.043 586 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 586 L C 2.463 179.291 176.870 -0.070 0.000 1.075 586 L CA 0.866 55.683 54.840 -0.038 0.000 0.752 586 L CB -0.556 41.481 42.059 -0.036 0.000 0.891 586 L HN 0.086 nan 8.230 nan 0.000 0.432 587 V N -0.636 119.180 119.914 -0.163 0.000 2.358 587 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 587 V C 2.577 178.605 176.094 -0.110 0.000 1.047 587 V CA 1.662 63.799 62.300 -0.272 0.000 1.035 587 V CB -0.448 31.119 31.823 -0.426 0.000 0.658 587 V HN 0.452 nan 8.190 nan 0.000 0.452 588 E N 0.099 120.257 120.200 -0.069 0.000 2.051 588 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 588 E C 2.278 178.873 176.600 -0.007 0.000 0.991 588 E CA 1.633 58.014 56.400 -0.033 0.000 0.799 588 E CB -0.007 29.676 29.700 -0.029 0.000 0.748 588 E HN 0.589 nan 8.360 nan 0.000 0.449 589 E N 0.197 120.395 120.200 -0.003 0.000 2.110 589 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 589 E C 1.879 178.479 176.600 0.001 0.000 0.988 589 E CA 0.950 57.349 56.400 -0.003 0.000 0.804 589 E CB -0.617 29.082 29.700 -0.002 0.000 0.745 589 E HN 0.253 nan 8.360 nan 0.000 0.458 590 F N 1.319 121.199 119.950 -0.116 0.000 2.075 590 F HA -0.150 4.377 4.527 0.000 0.000 0.297 590 F C 2.308 178.042 175.800 -0.110 0.000 1.113 590 F CA 2.266 60.186 58.000 -0.135 0.000 1.218 590 F CB -0.406 38.461 39.000 -0.221 0.000 0.984 590 F HN 0.146 nan 8.300 nan 0.000 0.472 591 E N -0.319 119.950 120.200 0.116 0.000 2.049 591 E HA -0.290 4.060 4.350 -0.000 0.000 0.198 591 E C 2.232 178.807 176.600 -0.043 0.000 1.007 591 E CA 1.666 58.093 56.400 0.045 0.000 0.809 591 E CB -0.198 29.526 29.700 0.041 0.000 0.749 591 E HN 0.423 nan 8.360 nan 0.000 0.450 592 Q N -0.038 119.734 119.800 -0.045 0.000 2.077 592 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 592 Q C 2.164 178.108 176.000 -0.092 0.000 0.989 592 Q CA 1.811 57.581 55.803 -0.055 0.000 0.853 592 Q CB -0.603 28.109 28.738 -0.042 0.000 0.907 592 Q HN 0.435 nan 8.270 nan 0.000 0.418 593 A N 0.778 123.512 122.820 -0.145 0.000 1.929 593 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 593 A C 1.755 179.187 177.584 -0.252 0.000 1.176 593 A CA 1.200 53.123 52.037 -0.189 0.000 0.628 593 A CB 0.029 18.890 19.000 -0.231 0.000 0.816 593 A HN 0.196 nan 8.150 nan 0.000 0.444 594 E N -1.975 118.020 120.200 -0.343 0.000 2.473 594 E HA 0.231 4.581 4.350 -0.000 0.000 0.204 594 E C 1.078 177.619 176.600 -0.099 0.000 0.994 594 E CA 0.688 56.932 56.400 -0.260 0.000 0.945 594 E CB 0.429 29.863 29.700 -0.444 0.000 0.990 594 E HN 0.766 nan 8.360 nan 0.000 0.493 595 G N 2.624 111.381 108.800 -0.071 0.000 2.141 595 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 595 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 595 G C 0.260 175.178 174.900 0.029 0.000 0.982 595 G CA 0.457 45.547 45.100 -0.016 0.000 0.662 595 G HN 0.317 nan 8.290 nan 0.000 0.527 596 R N -1.722 118.820 120.500 0.070 0.000 2.712 596 R HA 0.633 4.973 4.340 -0.000 0.000 0.272 596 R C -0.431 175.993 176.300 0.207 0.000 1.032 596 R CA -1.200 54.977 56.100 0.129 0.000 0.874 596 R CB 0.866 31.266 30.300 0.166 0.000 1.256 596 R HN 0.143 nan 8.270 nan 0.000 0.468 597 R N 0.862 121.456 120.500 0.155 0.000 2.679 597 R HA 0.276 4.616 4.340 -0.000 0.000 0.269 597 R C -2.087 174.264 176.300 0.085 0.000 1.076 597 R CA -1.521 54.632 56.100 0.088 0.000 1.160 597 R CB 0.351 30.655 30.300 0.006 0.000 1.054 597 R HN 0.419 nan 8.270 nan 0.000 0.507 598 P HA 0.030 nan 4.420 nan 0.000 0.267 598 P C -1.019 176.250 177.300 -0.050 0.000 1.205 598 P CA 0.120 62.765 63.100 -0.758 0.000 0.765 598 P CB 0.620 31.454 31.700 -1.443 0.000 0.828 599 R N 3.357 124.020 120.500 0.270 0.000 2.562 599 R HA 0.752 5.092 4.340 -0.000 0.000 0.298 599 R C -1.100 175.364 176.300 0.273 0.000 0.961 599 R CA -0.858 55.426 56.100 0.305 0.000 0.881 599 R CB 0.855 31.337 30.300 0.304 0.000 1.159 599 R HN 0.516 nan 8.270 nan 0.000 0.450 600 I N 4.781 125.472 120.570 0.202 0.000 2.582 600 I HA 0.381 4.551 4.170 -0.000 0.000 0.292 600 I C -1.787 174.365 176.117 0.058 0.000 1.066 600 I CA -1.397 59.974 61.300 0.120 0.000 1.053 600 I CB 1.854 39.895 38.000 0.068 0.000 1.241 600 I HN 0.686 nan 8.210 nan 0.000 0.421 601 L N 8.087 129.331 121.223 0.034 0.000 2.282 601 L HA 0.541 4.881 4.340 -0.000 0.000 0.288 601 L C -1.579 175.275 176.870 -0.027 0.000 1.033 601 L CA -0.103 54.742 54.840 0.009 0.000 0.807 601 L CB 1.292 43.360 42.059 0.015 0.000 1.209 601 L HN 0.514 nan 8.230 nan 0.000 0.423 602 L N 6.276 127.467 121.223 -0.052 0.000 2.259 602 L HA 0.644 4.984 4.340 -0.000 0.000 0.288 602 L C 0.177 177.011 176.870 -0.059 0.000 1.051 602 L CA -0.435 54.353 54.840 -0.088 0.000 0.824 602 L CB 0.976 42.954 42.059 -0.134 0.000 1.206 602 L HN 0.864 nan 8.230 nan 0.000 0.429 603 A N 4.683 127.476 122.820 -0.045 0.000 2.312 603 A HA 0.734 5.054 4.320 -0.000 0.000 0.326 603 A C -0.517 177.050 177.584 -0.028 0.000 1.172 603 A CA -0.711 51.308 52.037 -0.030 0.000 0.821 603 A CB 1.003 19.997 19.000 -0.011 0.000 1.166 603 A HN 0.466 nan 8.150 nan 0.000 0.493 604 K N 2.645 123.026 120.400 -0.031 0.000 2.507 604 K HA 0.504 4.824 4.320 -0.000 0.000 0.253 604 K C -0.938 175.656 176.600 -0.010 0.000 0.969 604 K CA 0.151 56.418 56.287 -0.033 0.000 0.908 604 K CB 1.260 33.709 32.500 -0.086 0.000 1.127 604 K HN 0.825 nan 8.250 nan 0.000 0.437 605 M N 0.455 120.068 119.600 0.023 0.000 2.598 605 M HA 0.588 5.068 4.480 -0.000 0.000 0.317 605 M C 0.709 177.055 176.300 0.077 0.000 1.179 605 M CA -0.534 54.794 55.300 0.046 0.000 0.936 605 M CB 1.953 34.576 32.600 0.039 0.000 1.713 605 M HN 0.755 nan 8.290 nan 0.000 0.460 606 G N 1.150 110.003 108.800 0.089 0.000 2.584 606 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.229 606 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.229 606 G C -0.072 174.941 174.900 0.187 0.000 1.320 606 G CA -0.464 44.695 45.100 0.097 0.000 0.891 606 G HN 0.654 nan 8.290 nan 0.000 0.573 607 Q N 0.445 120.360 119.800 0.192 0.000 2.360 607 Q HA 0.104 4.444 4.340 -0.000 0.000 0.202 607 Q C 0.895 177.104 176.000 0.349 0.000 0.915 607 Q CA 0.494 56.484 55.803 0.313 0.000 0.943 607 Q CB 0.005 28.837 28.738 0.156 0.000 1.064 607 Q HN 0.630 nan 8.270 nan 0.000 0.511 608 D N 0.614 121.152 120.400 0.230 0.000 2.570 608 D HA -0.049 4.591 4.640 -0.000 0.000 0.243 608 D C 0.983 177.358 176.300 0.124 0.000 1.171 608 D CA 0.478 54.601 54.000 0.205 0.000 0.879 608 D CB 0.538 41.443 40.800 0.176 0.000 1.143 608 D HN 0.238 nan 8.370 nan 0.000 0.511 609 G N 2.800 111.655 108.800 0.092 0.000 3.042 609 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.212 609 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.212 609 G C 0.289 175.145 174.900 -0.073 0.000 1.166 609 G CA -0.233 44.837 45.100 -0.050 0.000 0.767 609 G HN 0.558 nan 8.290 nan 0.000 0.546 610 H N 1.090 120.163 119.070 0.006 0.000 2.929 610 H HA 0.271 4.827 4.556 -0.000 0.000 0.317 610 H C 0.430 175.749 175.328 -0.015 0.000 1.031 610 H CA 0.733 56.790 56.048 0.015 0.000 1.466 610 H CB 1.382 31.168 29.762 0.040 0.000 1.482 610 H HN 0.325 nan 8.280 nan 0.000 0.561 611 D N 1.672 122.118 120.400 0.076 0.000 2.525 611 D HA 0.009 4.649 4.640 -0.000 0.000 0.231 611 D C 1.663 177.972 176.300 0.016 0.000 1.216 611 D CA -0.346 53.668 54.000 0.023 0.000 0.813 611 D CB -0.060 40.728 40.800 -0.019 0.000 1.108 611 D HN 0.421 nan 8.370 nan 0.000 0.524 612 R N 1.141 121.666 120.500 0.041 0.000 2.080 612 R HA -0.067 4.273 4.340 -0.000 0.000 0.236 612 R C 2.107 178.413 176.300 0.009 0.000 1.137 612 R CA 2.154 58.267 56.100 0.022 0.000 0.943 612 R CB -0.657 29.666 30.300 0.038 0.000 0.846 612 R HN 0.216 nan 8.270 nan 0.000 0.431 613 G N 0.158 108.971 108.800 0.021 0.000 2.404 613 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.215 613 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.215 613 G C 1.313 176.164 174.900 -0.082 0.000 1.174 613 G CA 0.596 45.684 45.100 -0.020 0.000 0.780 613 G HN 0.443 nan 8.290 nan 0.000 0.537 614 Q N 0.010 119.767 119.800 -0.072 0.000 2.084 614 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 614 Q C 2.363 178.290 176.000 -0.121 0.000 0.978 614 Q CA 1.243 56.981 55.803 -0.108 0.000 0.844 614 Q CB -0.069 28.625 28.738 -0.074 0.000 0.898 614 Q HN 0.213 nan 8.270 nan 0.000 0.426 615 K N 0.039 120.390 120.400 -0.082 0.000 2.103 615 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 615 K C 2.034 178.582 176.600 -0.087 0.000 1.052 615 K CA 0.742 56.985 56.287 -0.072 0.000 0.945 615 K CB -0.669 31.806 32.500 -0.041 0.000 0.722 615 K HN 0.155 nan 8.250 nan 0.000 0.443 616 V N 1.674 121.533 119.914 -0.092 0.000 2.453 616 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 616 V C 2.073 178.039 176.094 -0.213 0.000 1.048 616 V CA 1.013 63.249 62.300 -0.106 0.000 1.049 616 V CB -0.179 31.612 31.823 -0.053 0.000 0.672 616 V HN 0.104 nan 8.190 nan 0.000 0.457 617 I N 0.649 121.057 120.570 -0.270 0.000 2.226 617 I HA -0.164 4.006 4.170 -0.000 0.000 0.245 617 I C 2.771 178.644 176.117 -0.407 0.000 1.100 617 I CA 1.846 62.874 61.300 -0.452 0.000 1.374 617 I CB -1.784 35.873 38.000 -0.572 0.000 1.057 617 I HN 0.382 nan 8.210 nan 0.000 0.413 618 A N 0.123 122.785 122.820 -0.264 0.000 1.851 618 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 618 A C 2.534 180.074 177.584 -0.072 0.000 1.195 618 A CA 2.804 54.747 52.037 -0.156 0.000 0.622 618 A CB -1.296 17.640 19.000 -0.106 0.000 0.831 618 A HN 0.386 nan 8.150 nan 0.000 0.444 619 T N -0.715 113.799 114.554 -0.066 0.000 2.708 619 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 619 T C 2.037 176.729 174.700 -0.014 0.000 1.037 619 T CA 2.078 64.168 62.100 -0.017 0.000 1.146 619 T CB -0.468 68.400 68.868 -0.000 0.000 0.865 619 T HN 0.571 nan 8.240 nan 0.000 0.435 620 A N -0.151 122.588 122.820 -0.135 0.000 1.898 620 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 620 A C 2.109 179.703 177.584 0.016 0.000 1.181 620 A CA 1.460 53.347 52.037 -0.249 0.000 0.620 620 A CB -1.011 17.476 19.000 -0.854 0.000 0.819 620 A HN 0.598 nan 8.150 nan 0.000 0.442 621 Y N -0.095 120.081 120.300 -0.207 0.000 2.242 621 Y HA -0.036 4.514 4.550 -0.000 0.000 0.291 621 Y C 2.946 178.877 175.900 0.052 0.000 1.137 621 Y CA 0.265 58.278 58.100 -0.145 0.000 1.181 621 Y CB -0.978 37.220 38.460 -0.436 0.000 0.989 621 Y HN 0.335 nan 8.280 nan 0.000 0.527 622 A N 0.051 122.970 122.820 0.165 0.000 1.902 622 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 622 A C 1.887 179.538 177.584 0.113 0.000 1.181 622 A CA 2.012 54.127 52.037 0.130 0.000 0.623 622 A CB -0.712 18.337 19.000 0.081 0.000 0.818 622 A HN 0.330 nan 8.150 nan 0.000 0.443 623 D N -0.269 120.195 120.400 0.106 0.000 2.310 623 D HA -0.044 4.596 4.640 -0.000 0.000 0.212 623 D C 1.518 177.879 176.300 0.101 0.000 0.965 623 D CA 0.714 54.778 54.000 0.107 0.000 0.879 623 D CB -0.125 40.765 40.800 0.151 0.000 0.921 623 D HN 0.473 nan 8.370 nan 0.000 0.510 624 L N -1.208 120.079 121.223 0.106 0.000 2.585 624 L HA 0.234 4.574 4.340 -0.000 0.000 0.226 624 L C 1.492 178.369 176.870 0.012 0.000 1.113 624 L CA 0.406 55.289 54.840 0.071 0.000 0.876 624 L CB 0.354 42.457 42.059 0.073 0.000 1.072 624 L HN 0.130 nan 8.230 nan 0.000 0.468 625 G N -0.637 108.182 108.800 0.031 0.000 2.184 625 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 625 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 625 G C 0.102 174.966 174.900 -0.060 0.000 0.995 625 G CA -0.651 44.426 45.100 -0.039 0.000 0.651 625 G HN 0.083 nan 8.290 nan 0.000 0.511 626 F N 1.725 121.624 119.950 -0.085 0.000 2.406 626 F HA 0.465 4.992 4.527 -0.000 0.000 0.327 626 F C 0.726 176.522 175.800 -0.007 0.000 1.153 626 F CA -0.150 57.804 58.000 -0.076 0.000 1.218 626 F CB 0.618 39.579 39.000 -0.065 0.000 1.215 626 F HN -0.108 nan 8.300 nan 0.000 0.570 627 D N 1.658 122.182 120.400 0.206 0.000 2.313 627 D HA 0.309 4.949 4.640 -0.000 0.000 0.239 627 D C -0.796 175.603 176.300 0.165 0.000 1.142 627 D CA 0.099 54.187 54.000 0.146 0.000 0.847 627 D CB 1.562 42.434 40.800 0.119 0.000 1.082 627 D HN 0.043 nan 8.370 nan 0.000 0.480 628 V N 3.695 123.681 119.914 0.120 0.000 2.459 628 V HA 0.229 4.349 4.120 -0.000 0.000 0.295 628 V C 0.013 176.134 176.094 0.044 0.000 1.029 628 V CA -0.805 61.543 62.300 0.080 0.000 0.874 628 V CB 2.104 33.958 31.823 0.052 0.000 0.985 628 V HN 0.371 nan 8.190 nan 0.000 0.438 629 D N 3.330 123.748 120.400 0.029 0.000 2.256 629 D HA 0.407 5.047 4.640 -0.000 0.000 0.240 629 D C -0.670 175.625 176.300 -0.008 0.000 1.062 629 D CA -0.191 53.819 54.000 0.016 0.000 0.832 629 D CB 2.621 43.434 40.800 0.022 0.000 1.135 629 D HN 0.244 nan 8.370 nan 0.000 0.484 630 V N 2.261 122.167 119.914 -0.013 0.000 2.333 630 V HA 0.409 4.529 4.120 -0.000 0.000 0.274 630 V C 1.056 177.135 176.094 -0.026 0.000 1.028 630 V CA -0.678 61.604 62.300 -0.029 0.000 0.851 630 V CB 1.223 33.027 31.823 -0.030 0.000 1.000 630 V HN 0.568 nan 8.190 nan 0.000 0.456 631 G N 6.386 115.167 108.800 -0.032 0.000 2.539 631 G HA2 0.531 4.491 3.960 -0.000 0.000 0.258 631 G HA3 0.531 4.491 3.960 -0.000 0.000 0.258 631 G C -2.520 172.356 174.900 -0.040 0.000 1.202 631 G CA -1.040 44.044 45.100 -0.026 0.000 0.851 631 G HN 0.548 nan 8.290 nan 0.000 0.556 632 P HA 0.202 nan 4.420 nan 0.000 0.274 632 P C 0.322 177.563 177.300 -0.098 0.000 1.231 632 P CA -0.435 62.639 63.100 -0.044 0.000 0.790 632 P CB 1.080 32.777 31.700 -0.006 0.000 0.951 633 L N 1.544 122.644 121.223 -0.205 0.000 2.468 633 L HA 0.128 4.468 4.340 -0.000 0.000 0.253 633 L C 0.702 177.376 176.870 -0.327 0.000 1.237 633 L CA -0.215 54.345 54.840 -0.466 0.000 0.823 633 L CB -0.646 40.803 42.059 -1.017 0.000 1.124 633 L HN 0.359 nan 8.230 nan 0.000 0.504 634 F N -1.213 118.757 119.950 0.033 0.000 3.100 634 F HA -0.255 4.272 4.527 -0.000 0.000 0.283 634 F C 0.615 176.426 175.800 0.019 0.000 0.900 634 F CA 0.298 58.314 58.000 0.027 0.000 1.010 634 F CB -2.435 36.590 39.000 0.041 0.000 1.029 634 F HN 0.496 nan 8.300 nan 0.000 0.637 635 Q N 0.546 120.410 119.800 0.106 0.000 2.314 635 Q HA 0.383 4.723 4.340 -0.000 0.000 0.258 635 Q C 1.016 177.052 176.000 0.060 0.000 0.954 635 Q CA 0.300 56.147 55.803 0.073 0.000 0.890 635 Q CB 1.281 30.041 28.738 0.036 0.000 1.210 635 Q HN 0.430 nan 8.270 nan 0.000 0.410 636 T N -0.592 113.989 114.554 0.045 0.000 2.788 636 T HA 0.158 4.508 4.350 -0.000 0.000 0.287 636 T C -1.924 172.791 174.700 0.025 0.000 1.007 636 T CA -1.671 60.445 62.100 0.028 0.000 1.005 636 T CB 0.512 69.388 68.868 0.014 0.000 1.012 636 T HN 0.311 nan 8.240 nan 0.000 0.530 637 P HA -0.066 nan 4.420 nan 0.000 0.219 637 P C 1.358 178.668 177.300 0.016 0.000 1.146 637 P CA 0.928 64.039 63.100 0.019 0.000 0.808 637 P CB 0.103 31.813 31.700 0.017 0.000 0.779 638 E N 0.166 120.374 120.200 0.014 0.000 2.046 638 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 638 E C 1.765 178.374 176.600 0.015 0.000 0.982 638 E CA 0.941 57.349 56.400 0.013 0.000 0.800 638 E CB -0.171 29.535 29.700 0.011 0.000 0.756 638 E HN 0.178 nan 8.360 nan 0.000 0.449 639 E N -0.352 119.859 120.200 0.018 0.000 2.110 639 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 639 E C 2.012 178.623 176.600 0.019 0.000 0.988 639 E CA 1.770 58.182 56.400 0.021 0.000 0.804 639 E CB 0.064 29.780 29.700 0.027 0.000 0.745 639 E HN 0.221 nan 8.360 nan 0.000 0.458 640 T N 0.486 115.051 114.554 0.018 0.000 2.777 640 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 640 T C 1.956 176.665 174.700 0.016 0.000 1.040 640 T CA 1.135 63.245 62.100 0.016 0.000 1.141 640 T CB -0.259 68.619 68.868 0.016 0.000 0.868 640 T HN 0.251 nan 8.240 nan 0.000 0.444 641 A N 1.791 124.620 122.820 0.016 0.000 1.858 641 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 641 A C 2.294 179.886 177.584 0.014 0.000 1.190 641 A CA 1.943 53.990 52.037 0.016 0.000 0.617 641 A CB -0.646 18.362 19.000 0.015 0.000 0.827 641 A HN 0.421 nan 8.150 nan 0.000 0.443 642 R N -0.520 119.988 120.500 0.013 0.000 2.083 642 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 642 R C 2.472 178.779 176.300 0.013 0.000 1.137 642 R CA 2.050 58.157 56.100 0.012 0.000 0.951 642 R CB -0.336 29.972 30.300 0.013 0.000 0.851 642 R HN 0.734 nan 8.270 nan 0.000 0.434 643 Q N -0.405 119.403 119.800 0.014 0.000 2.079 643 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 643 Q C 1.897 177.906 176.000 0.014 0.000 0.974 643 Q CA 1.504 57.315 55.803 0.013 0.000 0.840 643 Q CB -0.124 28.621 28.738 0.013 0.000 0.898 643 Q HN 0.451 nan 8.270 nan 0.000 0.430 644 A N 0.247 123.076 122.820 0.016 0.000 1.851 644 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 644 A C 2.248 179.841 177.584 0.014 0.000 1.195 644 A CA 1.772 53.820 52.037 0.019 0.000 0.622 644 A CB -1.130 17.883 19.000 0.021 0.000 0.831 644 A HN 0.305 nan 8.150 nan 0.000 0.444 645 V N 0.351 120.271 119.914 0.011 0.000 2.252 645 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 645 V C 2.465 178.562 176.094 0.005 0.000 1.056 645 V CA 2.494 64.798 62.300 0.006 0.000 1.022 645 V CB -0.982 30.846 31.823 0.007 0.000 0.641 645 V HN 0.664 nan 8.190 nan 0.000 0.445 646 E N 0.071 120.275 120.200 0.008 0.000 2.160 646 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 646 E C 2.040 178.645 176.600 0.009 0.000 0.991 646 E CA 1.353 57.758 56.400 0.008 0.000 0.810 646 E CB -0.269 29.436 29.700 0.009 0.000 0.742 646 E HN 0.622 nan 8.360 nan 0.000 0.466 647 A N 1.027 123.855 122.820 0.012 0.000 2.275 647 A HA -0.017 4.303 4.320 -0.000 0.000 0.212 647 A C 0.342 177.934 177.584 0.013 0.000 1.201 647 A CA 0.361 52.408 52.037 0.017 0.000 0.843 647 A CB 0.157 19.171 19.000 0.024 0.000 0.873 647 A HN 0.206 nan 8.150 nan 0.000 0.492 648 D N -0.438 119.962 120.400 0.001 0.000 2.737 648 D HA -0.129 4.511 4.640 -0.000 0.000 0.238 648 D C 0.174 176.453 176.300 -0.034 0.000 1.157 648 D CA 0.844 54.830 54.000 -0.024 0.000 0.694 648 D CB -1.771 39.012 40.800 -0.029 0.000 1.021 648 D HN 0.780 nan 8.370 nan 0.000 0.420 649 V N -1.561 118.354 119.914 0.002 0.000 3.083 649 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 649 V C 1.504 177.610 176.094 0.021 0.000 1.077 649 V CA -0.013 62.318 62.300 0.052 0.000 1.073 649 V CB 1.423 33.294 31.823 0.081 0.000 1.081 649 V HN 0.240 nan 8.190 nan 0.000 0.474 650 H N 0.894 120.022 119.070 0.096 0.000 2.547 650 H HA 0.557 5.113 4.556 0.000 0.000 0.272 650 H C 0.385 175.768 175.328 0.092 0.000 0.971 650 H CA 1.264 57.379 56.048 0.111 0.000 1.245 650 H CB 0.981 30.832 29.762 0.149 0.000 1.440 650 H HN 0.511 nan 8.280 nan 0.000 0.540 651 V N 0.359 120.400 119.914 0.212 0.000 3.048 651 V HA 0.384 4.504 4.120 -0.000 0.000 0.303 651 V C -1.471 174.676 176.094 0.089 0.000 1.214 651 V CA -0.950 61.432 62.300 0.137 0.000 0.984 651 V CB 2.351 34.261 31.823 0.145 0.000 1.054 651 V HN -0.149 nan 8.190 nan 0.000 0.430 652 V N 5.175 125.125 119.914 0.060 0.000 2.328 652 V HA 0.618 4.738 4.120 -0.000 0.000 0.278 652 V C 0.862 176.968 176.094 0.020 0.000 1.021 652 V CA 0.202 62.521 62.300 0.033 0.000 0.838 652 V CB 1.281 33.120 31.823 0.026 0.000 0.999 652 V HN 1.079 nan 8.190 nan 0.000 0.447 653 G N 4.514 113.309 108.800 -0.009 0.000 2.546 653 G HA2 0.460 4.420 3.960 -0.000 0.000 0.320 653 G HA3 0.460 4.420 3.960 -0.000 0.000 0.320 653 G C -0.314 174.563 174.900 -0.039 0.000 0.984 653 G CA -0.245 44.836 45.100 -0.033 0.000 1.183 653 G HN 0.521 nan 8.290 nan 0.000 0.443 654 V N 1.817 121.724 119.914 -0.011 0.000 2.555 654 V HA 0.331 4.451 4.120 -0.000 0.000 0.286 654 V C 0.738 176.820 176.094 -0.020 0.000 1.044 654 V CA -0.107 62.187 62.300 -0.010 0.000 1.026 654 V CB 1.551 33.380 31.823 0.009 0.000 0.981 654 V HN 0.611 nan 8.190 nan 0.000 0.480 655 S N 3.902 119.586 115.700 -0.027 0.000 2.601 655 S HA 0.422 4.891 4.470 -0.000 0.000 0.312 655 S C -0.310 174.284 174.600 -0.010 0.000 1.107 655 S CA -0.388 57.793 58.200 -0.033 0.000 1.129 655 S CB 0.796 63.963 63.200 -0.054 0.000 0.982 655 S HN 0.816 nan 8.310 nan 0.000 0.469 656 S N 4.675 120.369 115.700 -0.010 0.000 2.530 656 S HA 0.635 5.105 4.470 -0.000 0.000 0.322 656 S C -0.097 174.485 174.600 -0.030 0.000 1.085 656 S CA -0.627 57.581 58.200 0.013 0.000 1.096 656 S CB 0.635 63.866 63.200 0.053 0.000 0.988 656 S HN 0.724 nan 8.310 nan 0.000 0.466 657 L N 4.415 125.605 121.223 -0.056 0.000 3.039 657 L HA 0.495 4.835 4.340 -0.000 0.000 0.269 657 L C 1.883 178.670 176.870 -0.139 0.000 1.169 657 L CA 0.445 55.159 54.840 -0.211 0.000 0.986 657 L CB 0.135 41.845 42.059 -0.581 0.000 1.377 657 L HN 0.734 nan 8.230 nan 0.000 0.575 658 A N -0.399 122.458 122.820 0.061 0.000 2.251 658 A HA 0.508 4.828 4.320 -0.000 0.000 0.209 658 A C 1.745 179.420 177.584 0.151 0.000 1.187 658 A CA 0.681 52.815 52.037 0.162 0.000 0.823 658 A CB -0.416 18.713 19.000 0.215 0.000 0.846 658 A HN 0.460 nan 8.150 nan 0.000 0.486 659 G N -2.112 106.794 108.800 0.177 0.000 2.157 659 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.248 659 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.248 659 G C 0.953 175.910 174.900 0.094 0.000 0.979 659 G CA 0.290 45.507 45.100 0.195 0.000 0.650 659 G HN 1.334 nan 8.290 nan 0.000 0.529 660 G N 0.152 109.017 108.800 0.108 0.000 3.189 660 G HA2 0.358 4.318 3.960 -0.000 0.000 0.225 660 G HA3 0.358 4.318 3.960 -0.000 0.000 0.225 660 G C 1.245 176.142 174.900 -0.005 0.000 1.159 660 G CA 1.079 46.192 45.100 0.021 0.000 0.763 660 G HN 0.843 nan 8.290 nan 0.000 0.549 661 H N 0.824 119.913 119.070 0.033 0.000 2.319 661 H HA -0.102 4.454 4.556 -0.000 0.000 0.297 661 H C 2.153 177.497 175.328 0.027 0.000 1.097 661 H CA 1.026 57.091 56.048 0.028 0.000 1.285 661 H CB -0.804 28.977 29.762 0.031 0.000 1.368 661 H HN 0.312 nan 8.280 nan 0.000 0.495 662 L N 1.194 122.203 121.223 -0.357 0.000 2.081 662 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 662 L C 2.954 179.783 176.870 -0.069 0.000 1.080 662 L CA 2.181 56.923 54.840 -0.162 0.000 0.754 662 L CB -0.730 41.204 42.059 -0.209 0.000 0.893 662 L HN 0.528 nan 8.230 nan 0.000 0.433 663 T N -2.690 111.827 114.554 -0.062 0.000 2.901 663 T HA -0.004 4.346 4.350 -0.000 0.000 0.252 663 T C 1.878 176.576 174.700 -0.004 0.000 1.035 663 T CA 0.355 62.439 62.100 -0.026 0.000 1.142 663 T CB -0.529 68.324 68.868 -0.026 0.000 0.869 663 T HN 0.158 nan 8.240 nan 0.000 0.442 664 L N 1.084 122.312 121.223 0.008 0.000 2.083 664 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 664 L C 2.889 179.779 176.870 0.034 0.000 1.083 664 L CA 0.804 55.660 54.840 0.027 0.000 0.752 664 L CB -0.790 41.296 42.059 0.045 0.000 0.899 664 L HN 0.154 nan 8.230 nan 0.000 0.433 665 V N 0.091 120.032 119.914 0.045 0.000 2.307 665 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 665 V C -0.104 176.007 176.094 0.029 0.000 1.045 665 V CA 1.869 64.194 62.300 0.042 0.000 1.024 665 V CB -1.697 30.161 31.823 0.058 0.000 0.651 665 V HN 0.354 nan 8.190 nan 0.000 0.449 666 P HA -0.167 nan 4.420 nan 0.000 0.215 666 P C 1.697 179.006 177.300 0.015 0.000 1.157 666 P CA 2.273 65.384 63.100 0.017 0.000 0.868 666 P CB -0.192 31.516 31.700 0.013 0.000 0.788 667 A N 0.365 123.193 122.820 0.013 0.000 1.917 667 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 667 A C 2.351 179.943 177.584 0.014 0.000 1.182 667 A CA 1.545 53.589 52.037 0.012 0.000 0.633 667 A CB -1.698 17.308 19.000 0.010 0.000 0.819 667 A HN 0.183 nan 8.150 nan 0.000 0.448 668 L N -1.305 119.929 121.223 0.017 0.000 2.109 668 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 668 L C 2.676 179.556 176.870 0.018 0.000 1.086 668 L CA 2.010 56.861 54.840 0.018 0.000 0.760 668 L CB -0.400 41.672 42.059 0.021 0.000 0.910 668 L HN 0.446 nan 8.230 nan 0.000 0.437 669 R N 0.701 121.212 120.500 0.018 0.000 2.070 669 R HA -0.170 4.170 4.340 -0.000 0.000 0.233 669 R C 2.228 178.538 176.300 0.016 0.000 1.137 669 R CA 1.625 57.736 56.100 0.018 0.000 0.945 669 R CB -0.219 30.092 30.300 0.018 0.000 0.845 669 R HN 0.182 nan 8.270 nan 0.000 0.430 670 K N 0.368 120.776 120.400 0.014 0.000 2.057 670 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 670 K C 2.065 178.672 176.600 0.012 0.000 1.049 670 K CA 1.559 57.853 56.287 0.012 0.000 0.931 670 K CB -0.387 32.119 32.500 0.010 0.000 0.714 670 K HN 0.233 nan 8.250 nan 0.000 0.440 671 E N 1.068 121.275 120.200 0.012 0.000 2.110 671 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 671 E C 2.021 178.629 176.600 0.013 0.000 0.988 671 E CA 0.699 57.106 56.400 0.012 0.000 0.804 671 E CB -0.152 29.555 29.700 0.012 0.000 0.745 671 E HN 0.183 nan 8.360 nan 0.000 0.458 672 L N 0.361 121.592 121.223 0.014 0.000 2.027 672 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 672 L C 1.936 178.814 176.870 0.014 0.000 1.074 672 L CA 1.311 56.160 54.840 0.015 0.000 0.745 672 L CB -0.399 41.671 42.059 0.019 0.000 0.898 672 L HN 0.138 nan 8.230 nan 0.000 0.433 673 D N 0.213 120.622 120.400 0.014 0.000 2.087 673 D HA -0.249 4.391 4.640 -0.000 0.000 0.192 673 D C 2.037 178.343 176.300 0.010 0.000 0.993 673 D CA 1.336 55.343 54.000 0.012 0.000 0.828 673 D CB -0.189 40.619 40.800 0.012 0.000 0.968 673 D HN 0.147 nan 8.370 nan 0.000 0.448 674 K N 0.295 120.701 120.400 0.010 0.000 2.173 674 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 674 K C 1.900 178.505 176.600 0.008 0.000 1.046 674 K CA 0.863 57.155 56.287 0.008 0.000 0.929 674 K CB -0.165 32.340 32.500 0.008 0.000 0.720 674 K HN 0.143 nan 8.250 nan 0.000 0.453 675 L N -0.238 120.990 121.223 0.008 0.000 2.599 675 L HA 0.097 4.437 4.340 -0.000 0.000 0.230 675 L C 0.725 177.600 176.870 0.007 0.000 1.141 675 L CA 0.426 55.271 54.840 0.008 0.000 0.877 675 L CB 0.047 42.112 42.059 0.009 0.000 1.009 675 L HN 0.578 nan 8.230 nan 0.000 0.447 676 G N 1.225 110.030 108.800 0.008 0.000 2.289 676 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.280 676 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.280 676 G C -0.093 174.811 174.900 0.007 0.000 1.089 676 G CA -0.278 44.826 45.100 0.007 0.000 0.939 676 G HN 0.211 nan 8.290 nan 0.000 0.499 677 R N -0.441 120.065 120.500 0.009 0.000 2.818 677 R HA 0.287 4.627 4.340 -0.000 0.000 0.258 677 R C -2.135 174.175 176.300 0.016 0.000 1.797 677 R CA -1.413 54.693 56.100 0.011 0.000 1.532 677 R CB 1.461 31.766 30.300 0.008 0.000 1.413 677 R HN 0.278 nan 8.270 nan 0.000 0.622 678 P HA 0.009 nan 4.420 nan 0.000 0.255 678 P C 0.384 177.701 177.300 0.029 0.000 1.248 678 P CA 0.401 63.514 63.100 0.022 0.000 0.807 678 P CB 0.510 32.221 31.700 0.019 0.000 1.150 679 D N 0.278 120.697 120.400 0.032 0.000 2.183 679 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 679 D C 0.783 177.117 176.300 0.057 0.000 0.962 679 D CA 0.151 54.176 54.000 0.043 0.000 0.849 679 D CB -0.473 40.347 40.800 0.033 0.000 0.978 679 D HN 0.181 nan 8.370 nan 0.000 0.488 680 I N 2.189 122.786 120.570 0.046 0.000 2.505 680 I HA 0.030 4.200 4.170 -0.000 0.000 0.287 680 I C 0.752 176.909 176.117 0.066 0.000 1.104 680 I CA -0.288 61.047 61.300 0.060 0.000 1.387 680 I CB 0.803 38.828 38.000 0.042 0.000 1.404 680 I HN -0.053 nan 8.210 nan 0.000 0.528 681 L N 7.242 128.518 121.223 0.088 0.000 2.466 681 L HA 0.402 4.742 4.340 -0.000 0.000 0.257 681 L C -0.090 176.817 176.870 0.060 0.000 1.189 681 L CA -0.339 54.545 54.840 0.074 0.000 0.813 681 L CB 0.688 42.801 42.059 0.090 0.000 1.118 681 L HN 0.473 nan 8.230 nan 0.000 0.471 682 I N 0.345 120.941 120.570 0.043 0.000 2.466 682 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 682 I C -0.278 175.852 176.117 0.021 0.000 1.026 682 I CA -0.300 61.019 61.300 0.032 0.000 1.078 682 I CB 2.160 40.173 38.000 0.022 0.000 1.249 682 I HN 0.598 nan 8.210 nan 0.000 0.429 683 T N 2.853 117.424 114.554 0.029 0.000 2.887 683 T HA 0.811 5.161 4.350 -0.000 0.000 0.288 683 T C -0.633 174.070 174.700 0.005 0.000 1.021 683 T CA -0.796 61.315 62.100 0.020 0.000 1.000 683 T CB 2.092 71.037 68.868 0.129 0.000 1.034 683 T HN 0.188 nan 8.240 nan 0.000 0.467 684 V N 1.128 121.013 119.914 -0.048 0.000 2.588 684 V HA 0.874 4.994 4.120 -0.000 0.000 0.304 684 V C 0.537 176.608 176.094 -0.038 0.000 1.042 684 V CA -0.555 61.720 62.300 -0.040 0.000 0.877 684 V CB 1.613 33.401 31.823 -0.059 0.000 0.996 684 V HN 1.347 nan 8.190 nan 0.000 0.425 685 G N 1.203 110.004 108.800 0.002 0.000 2.605 685 G HA2 0.902 4.862 3.960 -0.000 0.000 0.296 685 G HA3 0.902 4.862 3.960 -0.000 0.000 0.296 685 G C -0.206 174.677 174.900 -0.030 0.000 1.304 685 G CA -0.078 45.038 45.100 0.027 0.000 0.941 685 G HN 1.495 nan 8.290 nan 0.000 0.475 686 G N -1.866 106.917 108.800 -0.027 0.000 2.306 686 G HA2 0.234 4.194 3.960 -0.000 0.000 0.262 686 G HA3 0.234 4.194 3.960 -0.000 0.000 0.262 686 G C -1.072 173.793 174.900 -0.059 0.000 1.263 686 G CA -0.103 44.966 45.100 -0.052 0.000 1.088 686 G HN 1.392 nan 8.290 nan 0.000 0.489 687 V N 1.151 121.015 119.914 -0.083 0.000 2.338 687 V HA 0.509 4.629 4.120 -0.000 0.000 0.255 687 V C 0.189 176.222 176.094 -0.102 0.000 1.082 687 V CA 0.308 62.571 62.300 -0.061 0.000 0.951 687 V CB -0.051 31.738 31.823 -0.058 0.000 1.102 687 V HN 0.501 nan 8.190 nan 0.000 0.489 688 I N 7.860 128.385 120.570 -0.077 0.000 2.468 688 I HA 0.383 4.553 4.170 -0.000 0.000 0.284 688 I C -2.347 173.814 176.117 0.073 0.000 1.038 688 I CA -1.990 59.238 61.300 -0.119 0.000 1.083 688 I CB 2.389 40.324 38.000 -0.109 0.000 1.223 688 I HN 0.395 nan 8.210 nan 0.000 0.443 689 P HA -0.015 nan 4.420 nan 0.000 0.266 689 P C 0.868 177.988 177.300 -0.299 0.000 1.195 689 P CA 0.100 63.157 63.100 -0.071 0.000 0.768 689 P CB 0.912 32.599 31.700 -0.023 0.000 0.838 690 E N 1.673 121.531 120.200 -0.570 0.000 2.160 690 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 690 E C 1.572 177.739 176.600 -0.722 0.000 0.991 690 E CA 1.570 57.288 56.400 -1.137 0.000 0.810 690 E CB -0.754 28.562 29.700 -0.641 0.000 0.742 690 E HN 0.514 nan 8.360 nan 0.000 0.466 691 Q N 0.263 119.872 119.800 -0.317 0.000 2.364 691 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 691 Q C 1.421 177.393 176.000 -0.048 0.000 0.977 691 Q CA 1.537 57.255 55.803 -0.141 0.000 0.885 691 Q CB 0.024 28.712 28.738 -0.083 0.000 0.941 691 Q HN 0.412 nan 8.270 nan 0.000 0.464 692 D N -1.393 119.015 120.400 0.013 0.000 2.369 692 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 692 D C 0.636 177.091 176.300 0.259 0.000 1.077 692 D CA 0.056 54.149 54.000 0.155 0.000 0.842 692 D CB 0.165 41.148 40.800 0.306 0.000 0.947 692 D HN 0.127 nan 8.370 nan 0.000 0.509 693 F N 1.583 121.548 119.950 0.025 0.000 2.171 693 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 693 F C 1.880 177.682 175.800 0.004 0.000 1.090 693 F CA 0.632 58.633 58.000 0.002 0.000 1.293 693 F CB -0.842 38.148 39.000 -0.016 0.000 1.013 693 F HN -0.068 nan 8.300 nan 0.000 0.486 694 D N -0.066 120.447 120.400 0.189 0.000 2.097 694 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 694 D C 2.202 178.549 176.300 0.078 0.000 0.984 694 D CA 1.336 55.399 54.000 0.105 0.000 0.826 694 D CB -0.430 40.413 40.800 0.071 0.000 0.973 694 D HN 0.382 nan 8.370 nan 0.000 0.460 695 E N 0.309 120.558 120.200 0.082 0.000 2.077 695 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 695 E C 2.126 178.768 176.600 0.071 0.000 0.989 695 E CA 0.637 57.076 56.400 0.065 0.000 0.800 695 E CB -0.103 29.633 29.700 0.060 0.000 0.746 695 E HN 0.213 nan 8.360 nan 0.000 0.452 696 L N 0.247 121.531 121.223 0.102 0.000 2.056 696 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 696 L C 2.859 179.749 176.870 0.034 0.000 1.078 696 L CA 1.119 56.007 54.840 0.081 0.000 0.749 696 L CB -0.403 41.709 42.059 0.088 0.000 0.901 696 L HN 0.100 nan 8.230 nan 0.000 0.433 697 R N 0.357 120.874 120.500 0.028 0.000 2.081 697 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 697 R C 2.262 178.570 176.300 0.013 0.000 1.131 697 R CA 1.287 57.390 56.100 0.004 0.000 0.960 697 R CB -0.200 30.104 30.300 0.006 0.000 0.856 697 R HN 0.333 nan 8.270 nan 0.000 0.436 698 K N 0.136 120.550 120.400 0.024 0.000 2.283 698 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 698 K C 1.043 177.654 176.600 0.019 0.000 1.048 698 K CA 0.921 57.221 56.287 0.021 0.000 0.948 698 K CB 0.139 32.652 32.500 0.023 0.000 0.742 698 K HN 0.088 nan 8.250 nan 0.000 0.458 699 D N -0.894 119.520 120.400 0.022 0.000 2.355 699 D HA 0.016 4.656 4.640 -0.000 0.000 0.218 699 D C 1.099 177.410 176.300 0.018 0.000 1.004 699 D CA 0.853 54.866 54.000 0.022 0.000 0.880 699 D CB 0.886 41.704 40.800 0.030 0.000 0.911 699 D HN 0.417 nan 8.370 nan 0.000 0.528 700 G N -0.192 108.616 108.800 0.013 0.000 2.296 700 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.188 700 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.188 700 G C 0.505 175.406 174.900 0.001 0.000 1.000 700 G CA -0.029 45.078 45.100 0.011 0.000 0.672 700 G HN 0.486 nan 8.290 nan 0.000 0.483 701 A N 1.155 123.969 122.820 -0.010 0.000 2.484 701 A HA 0.592 4.912 4.320 -0.000 0.000 0.268 701 A C 1.787 179.336 177.584 -0.058 0.000 1.114 701 A CA 0.814 52.827 52.037 -0.040 0.000 0.780 701 A CB 0.396 19.356 19.000 -0.067 0.000 1.061 701 A HN 1.603 nan 8.150 nan 0.000 0.505 702 V N -0.267 119.617 119.914 -0.050 0.000 2.788 702 V HA 0.165 4.285 4.120 -0.000 0.000 0.251 702 V C 0.422 176.451 176.094 -0.109 0.000 1.068 702 V CA 0.939 63.209 62.300 -0.049 0.000 1.090 702 V CB -0.522 31.298 31.823 -0.005 0.000 0.710 702 V HN 0.681 nan 8.190 nan 0.000 0.467 703 E N 0.142 120.229 120.200 -0.189 0.000 2.314 703 E HA 0.639 4.989 4.350 -0.000 0.000 0.272 703 E C -1.401 174.841 176.600 -0.597 0.000 0.884 703 E CA -0.505 55.651 56.400 -0.406 0.000 0.753 703 E CB 3.069 32.511 29.700 -0.429 0.000 1.213 703 E HN 0.345 nan 8.360 nan 0.000 0.432 704 I N 2.556 122.672 120.570 -0.756 0.000 2.410 704 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 704 I C -1.258 174.400 176.117 -0.764 0.000 1.009 704 I CA -0.755 60.128 61.300 -0.695 0.000 1.111 704 I CB 0.897 38.417 38.000 -0.799 0.000 1.262 704 I HN 0.343 nan 8.210 nan 0.000 0.443 705 Y N 4.367 124.547 120.300 -0.200 0.000 2.388 705 Y HA 0.393 4.943 4.550 -0.000 0.000 0.328 705 Y C 0.804 176.643 175.900 -0.102 0.000 0.963 705 Y CA -0.980 57.041 58.100 -0.132 0.000 1.240 705 Y CB 1.460 39.862 38.460 -0.097 0.000 1.118 705 Y HN 0.514 nan 8.280 nan 0.000 0.484 706 T N 0.229 114.819 114.554 0.061 0.000 2.897 706 T HA 0.541 4.891 4.350 -0.000 0.000 0.278 706 T C -2.684 172.053 174.700 0.061 0.000 0.981 706 T CA -2.688 59.452 62.100 0.066 0.000 0.973 706 T CB 1.067 70.015 68.868 0.133 0.000 1.092 706 T HN 0.145 nan 8.240 nan 0.000 0.543 707 P HA 0.219 nan 4.420 nan 0.000 0.263 707 P C 1.120 178.430 177.300 0.016 0.000 1.175 707 P CA 1.440 64.549 63.100 0.015 0.000 0.761 707 P CB -0.142 31.554 31.700 -0.006 0.000 0.794 708 G N 1.365 110.168 108.800 0.004 0.000 2.217 708 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 708 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 708 G C 0.376 175.293 174.900 0.029 0.000 0.990 708 G CA 0.116 45.220 45.100 0.005 0.000 0.627 708 G HN 0.647 nan 8.290 nan 0.000 0.522 709 T N 1.629 116.208 114.554 0.041 0.000 2.905 709 T HA 0.338 4.688 4.350 -0.000 0.000 0.299 709 T C 0.825 175.541 174.700 0.025 0.000 1.024 709 T CA 0.470 62.598 62.100 0.046 0.000 1.151 709 T CB 1.510 70.401 68.868 0.039 0.000 0.987 709 T HN 0.544 nan 8.240 nan 0.000 0.535 710 V N 6.465 126.399 119.914 0.034 0.000 2.488 710 V HA 0.116 4.236 4.120 -0.000 0.000 0.277 710 V C 1.791 177.899 176.094 0.023 0.000 1.046 710 V CA -0.208 62.122 62.300 0.049 0.000 0.986 710 V CB 0.567 32.423 31.823 0.056 0.000 0.989 710 V HN 0.831 nan 8.190 nan 0.000 0.475 711 I N 6.656 127.242 120.570 0.027 0.000 2.087 711 I HA -0.159 4.011 4.170 -0.000 0.000 0.240 711 I C -0.175 175.955 176.117 0.021 0.000 1.054 711 I CA 1.722 63.007 61.300 -0.026 0.000 1.311 711 I CB -1.318 36.582 38.000 -0.167 0.000 1.024 711 I HN 0.562 nan 8.210 nan 0.000 0.402 712 P HA -0.209 nan 4.420 nan 0.000 0.216 712 P C 1.448 178.759 177.300 0.019 0.000 1.150 712 P CA 1.701 64.829 63.100 0.046 0.000 0.843 712 P CB -0.068 31.688 31.700 0.092 0.000 0.787 713 E N 0.255 120.472 120.200 0.028 0.000 2.085 713 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 713 E C 2.249 178.863 176.600 0.023 0.000 0.994 713 E CA 1.922 58.341 56.400 0.032 0.000 0.801 713 E CB -0.219 29.507 29.700 0.043 0.000 0.743 713 E HN 0.282 nan 8.360 nan 0.000 0.453 714 S N 0.026 115.698 115.700 -0.047 0.000 2.402 714 S HA -0.043 4.427 4.470 -0.000 0.000 0.229 714 S C 2.138 176.690 174.600 -0.080 0.000 1.021 714 S CA 0.792 58.887 58.200 -0.175 0.000 0.974 714 S CB -0.055 62.750 63.200 -0.658 0.000 0.800 714 S HN 0.317 nan 8.310 nan 0.000 0.484 715 A N 2.197 124.961 122.820 -0.093 0.000 1.877 715 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 715 A C 2.208 179.793 177.584 0.002 0.000 1.186 715 A CA 1.411 53.349 52.037 -0.165 0.000 0.620 715 A CB -0.898 17.922 19.000 -0.301 0.000 0.822 715 A HN 0.562 nan 8.150 nan 0.000 0.443 716 I N 0.683 121.256 120.570 0.005 0.000 2.118 716 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 716 I C 2.988 179.136 176.117 0.051 0.000 1.070 716 I CA 1.965 63.278 61.300 0.022 0.000 1.327 716 I CB -0.307 37.707 38.000 0.023 0.000 1.034 716 I HN 0.539 nan 8.210 nan 0.000 0.405 717 S N 0.893 116.643 115.700 0.083 0.000 2.383 717 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 717 S C 1.980 176.660 174.600 0.133 0.000 1.026 717 S CA 0.931 59.197 58.200 0.111 0.000 0.981 717 S CB -0.731 62.559 63.200 0.149 0.000 0.818 717 S HN 0.384 nan 8.310 nan 0.000 0.472 718 L N 1.655 122.977 121.223 0.166 0.000 2.056 718 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 718 L C 2.444 179.383 176.870 0.114 0.000 1.078 718 L CA 1.361 56.305 54.840 0.174 0.000 0.749 718 L CB -0.756 41.419 42.059 0.194 0.000 0.901 718 L HN 0.213 nan 8.230 nan 0.000 0.433 719 V N 0.047 120.008 119.914 0.078 0.000 2.237 719 V HA -0.323 3.797 4.120 -0.000 0.000 0.245 719 V C 2.636 178.767 176.094 0.061 0.000 1.046 719 V CA 2.255 64.548 62.300 -0.011 0.000 1.007 719 V CB -0.543 31.228 31.823 -0.086 0.000 0.638 719 V HN 0.482 nan 8.190 nan 0.000 0.445 720 K N -0.173 120.266 120.400 0.066 0.000 2.044 720 K HA -0.297 4.023 4.320 -0.000 0.000 0.210 720 K C 2.241 178.888 176.600 0.079 0.000 1.049 720 K CA 1.993 58.322 56.287 0.071 0.000 0.927 720 K CB -0.281 32.253 32.500 0.056 0.000 0.713 720 K HN 0.193 nan 8.250 nan 0.000 0.443 721 K N 1.082 121.530 120.400 0.080 0.000 2.026 721 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 721 K C 1.908 178.567 176.600 0.097 0.000 1.048 721 K CA 0.978 57.311 56.287 0.077 0.000 0.929 721 K CB -0.430 32.114 32.500 0.073 0.000 0.713 721 K HN -0.030 nan 8.250 nan 0.000 0.439 722 L N 1.295 122.589 121.223 0.119 0.000 1.970 722 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 722 L C 2.105 179.099 176.870 0.206 0.000 1.071 722 L CA 1.780 56.720 54.840 0.167 0.000 0.751 722 L CB -0.784 41.359 42.059 0.140 0.000 0.889 722 L HN 0.182 nan 8.230 nan 0.000 0.432 723 R N -0.389 120.241 120.500 0.216 0.000 2.094 723 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 723 R C 2.111 178.462 176.300 0.085 0.000 1.137 723 R CA 1.664 57.853 56.100 0.149 0.000 0.943 723 R CB -1.309 29.064 30.300 0.123 0.000 0.850 723 R HN 0.503 nan 8.270 nan 0.000 0.433 724 A N 0.960 123.824 122.820 0.073 0.000 1.908 724 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 724 A C 2.419 180.035 177.584 0.054 0.000 1.181 724 A CA 2.196 54.264 52.037 0.052 0.000 0.627 724 A CB -0.701 18.327 19.000 0.046 0.000 0.818 724 A HN 0.434 nan 8.150 nan 0.000 0.445 725 S N -0.249 115.494 115.700 0.070 0.000 2.348 725 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 725 S C 1.927 176.570 174.600 0.070 0.000 1.033 725 S CA 1.558 59.800 58.200 0.070 0.000 1.010 725 S CB -0.571 62.682 63.200 0.088 0.000 0.891 725 S HN 0.475 nan 8.310 nan 0.000 0.442 726 L N 0.792 122.069 121.223 0.090 0.000 2.265 726 L HA -0.026 4.314 4.340 -0.000 0.000 0.215 726 L C 0.699 177.587 176.870 0.031 0.000 1.117 726 L CA 0.925 55.809 54.840 0.074 0.000 0.782 726 L CB -0.417 41.700 42.059 0.097 0.000 0.914 726 L HN 0.287 nan 8.230 nan 0.000 0.441 727 D N 0.117 120.530 120.400 0.022 0.000 2.722 727 D HA 0.476 5.116 4.640 -0.000 0.000 0.239 727 D C 0.213 176.520 176.300 0.011 0.000 1.249 727 D CA 0.281 54.285 54.000 0.006 0.000 0.830 727 D CB 0.632 41.431 40.800 -0.002 0.000 1.025 727 D HN 0.238 nan 8.370 nan 0.000 0.486 728 A N 0.000 122.830 122.820 0.017 0.000 2.254 728 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 728 A CA 0.000 52.047 52.037 0.017 0.000 0.836 728 A CB 0.000 19.012 19.000 0.020 0.000 0.831 728 A HN 0.000 nan 8.150 nan 0.000 0.486