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 2bvj_1_B DATA FIRST_RESID 11 DATA SEQUENCE SPPVLDLGAL GQDFAADPYP TYARLRAEGP AHRVRTPEGD EVWLVVGYDR DATA SEQUENCE ARAVLADPRF SKDWRNSTTP LXXXXXXLNH NMLESDPPRH TRLRKLVARE DATA SEQUENCE FTMRRVELLR PRVQEIVDGL VDAMLAAPDG RADLMESLAW PLPITVISEL DATA SEQUENCE LGVPEPDRAA FRVWTDAFVF PDDPAQAQTA MAEMSGYLSR LIDSKRGQDG DATA SEQUENCE EDLLSALVRT SDEDGSRLTS EELLGMAHIL LVAGHETTVN LIANGMYALL DATA SEQUENCE SHPDQLAALR ADMTLLDGAV EEMLRYEGPV ESATYRFPVE PVDLDGTVIP DATA SEQUENCE AGDTVLVVLA DAHRTPERFP DPHRFDIRRD TAGHLAFGHG IHFCIGAPLA DATA SEQUENCE RLEARIAVRA LLERCPDLAL DVSPGELVWY PNPMIRGLKA LPIRWRRG 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.576 174.600 -0.040 0.000 1.055 11 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 11 S CB 0.000 63.208 63.200 0.014 0.000 0.593 12 P HA 0.411 nan 4.420 nan 0.000 0.272 12 P C -2.658 174.590 177.300 -0.086 0.000 1.240 12 P CA -0.912 62.153 63.100 -0.058 0.000 0.791 12 P CB -0.220 31.455 31.700 -0.042 0.000 0.978 13 P HA -0.034 nan 4.420 nan 0.000 0.269 13 P C 0.731 177.976 177.300 -0.092 0.000 1.209 13 P CA -0.124 62.896 63.100 -0.133 0.000 0.776 13 P CB 0.367 31.989 31.700 -0.130 0.000 0.876 14 V N 0.397 120.263 119.914 -0.081 0.000 3.406 14 V HA 0.218 4.338 4.120 -0.000 0.000 0.263 14 V C 0.407 176.460 176.094 -0.069 0.000 1.172 14 V CA 0.744 63.015 62.300 -0.049 0.000 1.140 14 V CB -0.621 31.199 31.823 -0.004 0.000 0.784 14 V HN 0.299 nan 8.190 nan 0.000 0.467 15 L N 0.860 122.029 121.223 -0.091 0.000 2.482 15 L HA 0.754 5.094 4.340 -0.000 0.000 0.263 15 L C -1.843 174.950 176.870 -0.128 0.000 0.957 15 L CA -0.300 54.469 54.840 -0.118 0.000 0.836 15 L CB 2.159 44.139 42.059 -0.132 0.000 1.324 15 L HN 0.129 nan 8.230 nan 0.000 0.406 16 D N 4.072 124.387 120.400 -0.141 0.000 2.461 16 D HA 0.292 4.932 4.640 -0.000 0.000 0.240 16 D C 0.923 177.116 176.300 -0.177 0.000 1.094 16 D CA -0.236 53.686 54.000 -0.129 0.000 0.868 16 D CB 1.020 41.760 40.800 -0.100 0.000 1.062 16 D HN 0.633 nan 8.370 nan 0.000 0.530 17 L N 2.630 123.744 121.223 -0.181 0.000 2.191 17 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 17 L C 2.357 179.126 176.870 -0.169 0.000 1.103 17 L CA 1.283 55.972 54.840 -0.251 0.000 0.769 17 L CB -0.126 41.850 42.059 -0.139 0.000 0.908 17 L HN 0.474 nan 8.230 nan 0.000 0.438 18 G N -0.412 108.331 108.800 -0.095 0.000 2.443 18 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.219 18 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.219 18 G C 1.666 176.527 174.900 -0.064 0.000 1.131 18 G CA 0.664 45.732 45.100 -0.054 0.000 0.775 18 G HN 0.465 nan 8.290 nan 0.000 0.547 19 A N -0.292 122.471 122.820 -0.095 0.000 2.167 19 A HA 0.452 4.772 4.320 -0.000 0.000 0.214 19 A C 1.268 178.793 177.584 -0.099 0.000 1.151 19 A CA 0.082 52.068 52.037 -0.086 0.000 0.735 19 A CB -0.096 18.849 19.000 -0.093 0.000 0.802 19 A HN 0.332 nan 8.150 nan 0.000 0.467 20 L N -2.207 118.930 121.223 -0.143 0.000 2.488 20 L HA 0.629 4.969 4.340 -0.000 0.000 0.249 20 L C 1.105 177.959 176.870 -0.027 0.000 1.151 20 L CA -0.160 54.599 54.840 -0.135 0.000 0.806 20 L CB 0.787 42.641 42.059 -0.342 0.000 1.261 20 L HN 0.306 nan 8.230 nan 0.000 0.484 21 G N -1.122 107.699 108.800 0.035 0.000 3.100 21 G HA2 0.153 4.113 3.960 -0.000 0.000 0.174 21 G HA3 0.153 4.113 3.960 -0.000 0.000 0.174 21 G C -0.073 174.881 174.900 0.090 0.000 1.136 21 G CA -0.049 45.086 45.100 0.059 0.000 0.881 21 G HN 0.380 nan 8.290 nan 0.000 0.616 22 Q N 0.079 119.914 119.800 0.059 0.000 2.135 22 Q HA -0.079 4.260 4.340 -0.000 0.000 0.204 22 Q C 1.800 177.816 176.000 0.026 0.000 0.981 22 Q CA 2.638 58.473 55.803 0.054 0.000 0.856 22 Q CB -0.375 28.389 28.738 0.043 0.000 0.902 22 Q HN 0.501 nan 8.270 nan 0.000 0.425 23 D N -0.779 119.634 120.400 0.022 0.000 2.117 23 D HA -0.153 4.486 4.640 -0.000 0.000 0.197 23 D C 1.490 177.764 176.300 -0.042 0.000 0.987 23 D CA 1.021 55.015 54.000 -0.010 0.000 0.829 23 D CB -0.405 40.397 40.800 0.002 0.000 0.961 23 D HN 0.333 nan 8.370 nan 0.000 0.460 24 F N 1.480 121.340 119.950 -0.150 0.000 2.234 24 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 24 F C 2.145 177.799 175.800 -0.244 0.000 1.087 24 F CA 1.076 58.945 58.000 -0.218 0.000 1.340 24 F CB -0.167 38.719 39.000 -0.191 0.000 1.031 24 F HN -0.081 nan 8.300 nan 0.000 0.500 25 A N 0.234 122.957 122.820 -0.161 0.000 1.902 25 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 25 A C 2.363 179.676 177.584 -0.452 0.000 1.181 25 A CA 1.713 53.625 52.037 -0.207 0.000 0.623 25 A CB -1.402 17.624 19.000 0.044 0.000 0.818 25 A HN 0.453 nan 8.150 nan 0.000 0.443 26 A N -1.509 121.029 122.820 -0.471 0.000 1.935 26 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 26 A C 0.826 177.918 177.584 -0.819 0.000 1.178 26 A CA 1.440 52.926 52.037 -0.919 0.000 0.640 26 A CB 0.043 18.845 19.000 -0.331 0.000 0.825 26 A HN 0.374 nan 8.150 nan 0.000 0.447 27 D N -1.690 118.393 120.400 -0.528 0.000 2.429 27 D HA 0.241 4.881 4.640 -0.000 0.000 0.255 27 D C -2.308 173.698 176.300 -0.491 0.000 1.257 27 D CA -1.314 52.449 54.000 -0.396 0.000 0.890 27 D CB 1.355 42.052 40.800 -0.172 0.000 1.267 27 D HN 0.075 nan 8.370 nan 0.000 0.521 28 P HA -0.035 nan 4.420 nan 0.000 0.245 28 P C 0.956 177.776 177.300 -0.800 0.000 1.206 28 P CA 0.186 62.606 63.100 -1.133 0.000 0.781 28 P CB 0.203 30.806 31.700 -1.829 0.000 0.994 29 Y N 1.596 121.741 120.300 -0.260 0.000 2.097 29 Y HA -0.133 4.416 4.550 -0.000 0.000 0.282 29 Y C -0.071 175.818 175.900 -0.020 0.000 1.152 29 Y CA 1.761 59.834 58.100 -0.044 0.000 1.136 29 Y CB -2.690 35.767 38.460 -0.006 0.000 0.975 29 Y HN 0.136 nan 8.280 nan 0.000 0.498 30 P HA -0.168 nan 4.420 nan 0.000 0.216 30 P C 1.460 178.772 177.300 0.020 0.000 1.150 30 P CA 2.397 65.521 63.100 0.041 0.000 0.843 30 P CB -0.138 31.559 31.700 -0.004 0.000 0.787 31 T N -1.657 112.868 114.554 -0.047 0.000 2.674 31 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 31 T C 1.613 176.311 174.700 -0.002 0.000 1.039 31 T CA 1.439 63.499 62.100 -0.067 0.000 1.150 31 T CB -1.239 67.577 68.868 -0.086 0.000 0.864 31 T HN 0.194 nan 8.240 nan 0.000 0.427 32 Y N 1.244 121.588 120.300 0.074 0.000 2.207 32 Y HA -0.117 4.433 4.550 -0.000 0.000 0.287 32 Y C 2.876 178.805 175.900 0.047 0.000 1.156 32 Y CA 0.385 58.514 58.100 0.049 0.000 1.182 32 Y CB -0.348 38.147 38.460 0.058 0.000 0.979 32 Y HN 0.213 nan 8.280 nan 0.000 0.521 33 A N 0.452 123.415 122.820 0.237 0.000 1.902 33 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 33 A C 2.175 179.824 177.584 0.108 0.000 1.181 33 A CA 1.662 53.806 52.037 0.179 0.000 0.623 33 A CB -0.698 18.417 19.000 0.191 0.000 0.818 33 A HN 0.428 nan 8.150 nan 0.000 0.443 34 R N -0.374 120.167 120.500 0.068 0.000 2.096 34 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 34 R C 1.872 178.163 176.300 -0.015 0.000 1.127 34 R CA 1.476 57.590 56.100 0.024 0.000 0.968 34 R CB -0.355 29.944 30.300 -0.002 0.000 0.861 34 R HN 0.538 nan 8.270 nan 0.000 0.440 35 L N -0.137 121.040 121.223 -0.077 0.000 2.072 35 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 35 L C 2.847 179.677 176.870 -0.066 0.000 1.079 35 L CA 1.085 55.729 54.840 -0.326 0.000 0.752 35 L CB -0.476 41.218 42.059 -0.608 0.000 0.906 35 L HN 0.208 nan 8.230 nan 0.000 0.436 36 R N 0.525 121.072 120.500 0.079 0.000 2.105 36 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 36 R C 2.260 178.649 176.300 0.149 0.000 1.135 36 R CA 1.424 57.625 56.100 0.167 0.000 0.967 36 R CB -0.204 30.183 30.300 0.146 0.000 0.861 36 R HN 0.360 nan 8.270 nan 0.000 0.442 37 A N 0.827 123.713 122.820 0.110 0.000 1.972 37 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 37 A C 1.760 179.408 177.584 0.106 0.000 1.169 37 A CA 1.327 53.420 52.037 0.094 0.000 0.635 37 A CB -0.171 18.873 19.000 0.073 0.000 0.810 37 A HN 0.298 nan 8.150 nan 0.000 0.446 38 E N -0.944 119.340 120.200 0.140 0.000 2.190 38 E HA 0.263 4.612 4.350 -0.000 0.000 0.191 38 E C 1.032 177.747 176.600 0.193 0.000 0.978 38 E CA 0.997 57.498 56.400 0.168 0.000 0.839 38 E CB 0.128 29.950 29.700 0.202 0.000 0.787 38 E HN 0.578 nan 8.360 nan 0.000 0.473 39 G N 0.107 109.064 108.800 0.260 0.000 2.349 39 G HA2 0.185 4.145 3.960 -0.000 0.000 0.294 39 G HA3 0.185 4.145 3.960 -0.000 0.000 0.294 39 G C -2.633 172.365 174.900 0.162 0.000 1.380 39 G CA -0.484 44.694 45.100 0.131 0.000 0.811 39 G HN -0.237 nan 8.290 nan 0.000 0.519 40 P HA 0.329 nan 4.420 nan 0.000 0.239 40 P C 0.410 177.696 177.300 -0.024 0.000 1.188 40 P CA 0.967 64.087 63.100 0.033 0.000 0.794 40 P CB 1.024 32.724 31.700 0.000 0.000 0.937 41 A N 0.437 123.120 122.820 -0.229 0.000 2.374 41 A HA 0.699 5.019 4.320 -0.000 0.000 0.305 41 A C -0.936 176.432 177.584 -0.361 0.000 1.053 41 A CA -0.505 51.461 52.037 -0.118 0.000 0.726 41 A CB 1.049 20.035 19.000 -0.023 0.000 1.229 41 A HN 0.071 nan 8.150 nan 0.000 0.431 42 H N 0.998 120.274 119.070 0.344 0.000 2.806 42 H HA 0.410 4.966 4.556 -0.000 0.000 0.367 42 H C -0.717 174.566 175.328 -0.075 0.000 1.136 42 H CA -0.735 55.416 56.048 0.171 0.000 1.178 42 H CB 2.038 31.849 29.762 0.081 0.000 1.718 42 H HN 0.764 nan 8.280 nan 0.000 0.540 43 R N 2.160 122.448 120.500 -0.354 0.000 2.234 43 R HA 0.413 4.753 4.340 -0.000 0.000 0.324 43 R C -0.835 175.260 176.300 -0.342 0.000 1.054 43 R CA -0.419 55.214 56.100 -0.777 0.000 0.912 43 R CB -0.019 29.727 30.300 -0.922 0.000 1.030 43 R HN 0.470 nan 8.270 nan 0.000 0.455 44 V N 1.234 120.975 119.914 -0.289 0.000 3.160 44 V HA 0.688 4.808 4.120 -0.000 0.000 0.310 44 V C -0.980 175.023 176.094 -0.152 0.000 1.181 44 V CA -1.216 60.986 62.300 -0.164 0.000 1.047 44 V CB 2.032 33.803 31.823 -0.086 0.000 1.068 44 V HN 0.823 nan 8.190 nan 0.000 0.441 45 R N 1.497 121.930 120.500 -0.111 0.000 2.445 45 R HA 0.602 4.942 4.340 -0.000 0.000 0.308 45 R C 0.069 176.338 176.300 -0.051 0.000 0.961 45 R CA 0.228 56.279 56.100 -0.081 0.000 0.862 45 R CB 1.743 32.000 30.300 -0.073 0.000 1.144 45 R HN 1.157 nan 8.270 nan 0.000 0.447 46 T N 1.446 115.990 114.554 -0.017 0.000 2.828 46 T HA 0.216 4.565 4.350 -0.000 0.000 0.290 46 T C -1.802 172.907 174.700 0.015 0.000 1.019 46 T CA -1.423 60.689 62.100 0.021 0.000 1.031 46 T CB 1.101 70.011 68.868 0.070 0.000 1.001 46 T HN 0.394 nan 8.240 nan 0.000 0.531 47 P HA -0.044 nan 4.420 nan 0.000 0.219 47 P C 0.846 178.160 177.300 0.024 0.000 1.146 47 P CA 0.936 64.048 63.100 0.020 0.000 0.808 47 P CB 0.011 31.734 31.700 0.038 0.000 0.779 48 E N -1.950 118.275 120.200 0.041 0.000 2.489 48 E HA 0.229 4.578 4.350 -0.000 0.000 0.193 48 E C 1.483 178.102 176.600 0.033 0.000 1.057 48 E CA 0.685 57.109 56.400 0.041 0.000 0.866 48 E CB -0.672 29.065 29.700 0.061 0.000 0.916 48 E HN 0.174 nan 8.360 nan 0.000 0.500 49 G N 0.408 109.221 108.800 0.022 0.000 2.176 49 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.232 49 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.232 49 G C -0.278 174.630 174.900 0.013 0.000 0.986 49 G CA -0.082 45.025 45.100 0.011 0.000 0.643 49 G HN 0.238 nan 8.290 nan 0.000 0.522 50 D N 1.368 121.787 120.400 0.031 0.000 2.341 50 D HA 0.358 4.998 4.640 -0.000 0.000 0.245 50 D C 0.340 176.632 176.300 -0.014 0.000 1.106 50 D CA 0.251 54.270 54.000 0.032 0.000 0.905 50 D CB 0.798 41.644 40.800 0.076 0.000 1.202 50 D HN 0.479 nan 8.370 nan 0.000 0.426 51 E N 0.951 121.129 120.200 -0.036 0.000 2.081 51 E HA 0.351 4.701 4.350 -0.000 0.000 0.276 51 E C -0.042 176.477 176.600 -0.136 0.000 0.950 51 E CA -0.623 55.712 56.400 -0.110 0.000 0.776 51 E CB 1.761 31.388 29.700 -0.122 0.000 1.094 51 E HN 0.273 nan 8.360 nan 0.000 0.402 52 V N -0.230 119.572 119.914 -0.186 0.000 3.164 52 V HA 0.640 4.759 4.120 -0.000 0.000 0.313 52 V C -1.337 174.591 176.094 -0.276 0.000 1.188 52 V CA -1.098 61.109 62.300 -0.156 0.000 1.058 52 V CB 1.344 33.092 31.823 -0.125 0.000 1.110 52 V HN 0.548 nan 8.190 nan 0.000 0.453 53 W N 0.415 121.685 121.300 -0.051 0.000 2.573 53 W HA 0.809 5.469 4.660 0.000 0.000 0.326 53 W C -0.655 175.848 176.519 -0.027 0.000 1.049 53 W CA -0.534 56.800 57.345 -0.019 0.000 1.220 53 W CB 1.626 31.079 29.460 -0.012 0.000 1.373 53 W HN 0.496 nan 8.180 nan 0.000 0.507 54 L N 3.666 125.033 121.223 0.240 0.000 2.296 54 L HA 0.564 4.904 4.340 -0.000 0.000 0.286 54 L C -0.479 176.493 176.870 0.169 0.000 1.023 54 L CA -1.177 53.755 54.840 0.152 0.000 0.812 54 L CB 1.188 43.337 42.059 0.150 0.000 1.223 54 L HN 0.058 nan 8.230 nan 0.000 0.421 55 V N 4.564 124.506 119.914 0.047 0.000 2.370 55 V HA 0.412 4.532 4.120 -0.000 0.000 0.283 55 V C 0.150 176.231 176.094 -0.023 0.000 1.023 55 V CA -0.543 61.759 62.300 0.004 0.000 0.857 55 V CB 1.874 33.631 31.823 -0.109 0.000 0.985 55 V HN 0.551 nan 8.190 nan 0.000 0.443 56 V N 1.822 121.763 119.914 0.044 0.000 3.103 56 V HA 1.107 5.227 4.120 -0.000 0.000 0.318 56 V C 0.199 176.315 176.094 0.036 0.000 1.114 56 V CA -0.416 61.900 62.300 0.027 0.000 1.020 56 V CB 1.293 33.178 31.823 0.102 0.000 1.085 56 V HN 1.672 nan 8.190 nan 0.000 0.446 57 G N 0.044 108.873 108.800 0.049 0.000 3.190 57 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.686 57 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.686 57 G C -0.559 174.373 174.900 0.053 0.000 1.033 57 G CA 0.287 45.434 45.100 0.079 0.000 0.797 57 G HN 1.897 nan 8.290 nan 0.000 0.567 58 Y N 1.530 121.846 120.300 0.027 0.000 2.040 58 Y HA -0.256 4.294 4.550 -0.000 0.000 0.275 58 Y C 2.478 178.372 175.900 -0.008 0.000 1.171 58 Y CA 2.855 60.969 58.100 0.025 0.000 1.123 58 Y CB 0.029 38.523 38.460 0.057 0.000 0.963 58 Y HN 0.655 nan 8.280 nan 0.000 0.493 59 D N -0.334 120.091 120.400 0.041 0.000 2.104 59 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 59 D C 2.250 178.466 176.300 -0.140 0.000 0.994 59 D CA 1.299 55.271 54.000 -0.046 0.000 0.830 59 D CB -0.237 40.604 40.800 0.068 0.000 0.959 59 D HN 0.330 nan 8.370 nan 0.000 0.452 60 R N 0.806 121.248 120.500 -0.097 0.000 2.075 60 R HA 0.018 4.358 4.340 -0.000 0.000 0.232 60 R C 2.254 178.447 176.300 -0.179 0.000 1.126 60 R CA 0.930 56.964 56.100 -0.109 0.000 0.963 60 R CB -0.881 29.377 30.300 -0.069 0.000 0.858 60 R HN 0.143 nan 8.270 nan 0.000 0.435 61 A N 1.276 123.968 122.820 -0.213 0.000 1.865 61 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 61 A C 2.313 179.739 177.584 -0.264 0.000 1.191 61 A CA 1.737 53.626 52.037 -0.246 0.000 0.623 61 A CB -0.544 18.302 19.000 -0.257 0.000 0.826 61 A HN 0.271 nan 8.150 nan 0.000 0.444 62 R N -0.504 119.772 120.500 -0.374 0.000 2.083 62 R HA -0.124 4.215 4.340 -0.000 0.000 0.237 62 R C 2.352 178.596 176.300 -0.094 0.000 1.137 62 R CA 1.577 57.490 56.100 -0.311 0.000 0.951 62 R CB -0.454 29.510 30.300 -0.559 0.000 0.851 62 R HN 0.454 nan 8.270 nan 0.000 0.434 63 A N 0.288 123.037 122.820 -0.120 0.000 1.858 63 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 63 A C 2.292 179.826 177.584 -0.084 0.000 1.190 63 A CA 1.769 53.775 52.037 -0.052 0.000 0.617 63 A CB -0.755 18.213 19.000 -0.053 0.000 0.827 63 A HN 0.237 nan 8.150 nan 0.000 0.443 64 V N 0.273 120.058 119.914 -0.215 0.000 2.392 64 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 64 V C 2.551 178.447 176.094 -0.330 0.000 1.059 64 V CA 1.973 63.997 62.300 -0.460 0.000 1.051 64 V CB -0.834 30.537 31.823 -0.754 0.000 0.658 64 V HN 0.562 nan 8.190 nan 0.000 0.455 65 L N -0.022 121.095 121.223 -0.176 0.000 2.127 65 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 65 L C 2.252 179.112 176.870 -0.016 0.000 1.089 65 L CA 1.645 56.444 54.840 -0.067 0.000 0.757 65 L CB -0.497 41.584 42.059 0.036 0.000 0.899 65 L HN 0.394 nan 8.230 nan 0.000 0.434 66 A N -2.103 120.717 122.820 -0.001 0.000 2.387 66 A HA 0.024 4.344 4.320 -0.000 0.000 0.234 66 A C 0.371 177.956 177.584 0.000 0.000 1.253 66 A CA -0.256 51.750 52.037 -0.051 0.000 0.894 66 A CB -0.110 18.814 19.000 -0.127 0.000 0.963 66 A HN 0.159 nan 8.150 nan 0.000 0.508 67 D N 1.301 121.728 120.400 0.045 0.000 2.336 67 D HA 0.174 4.813 4.640 -0.000 0.000 0.249 67 D C -1.518 174.875 176.300 0.154 0.000 1.213 67 D CA -1.818 52.256 54.000 0.122 0.000 0.870 67 D CB 1.409 42.350 40.800 0.235 0.000 1.076 67 D HN 0.110 nan 8.370 nan 0.000 0.483 68 P HA -0.086 nan 4.420 nan 0.000 0.231 68 P C 0.955 178.277 177.300 0.036 0.000 1.158 68 P CA 0.453 63.584 63.100 0.052 0.000 0.763 68 P CB 0.376 32.087 31.700 0.019 0.000 0.805 69 R N -1.235 119.283 120.500 0.030 0.000 2.235 69 R HA 0.054 4.394 4.340 -0.000 0.000 0.213 69 R C 0.356 176.494 176.300 -0.270 0.000 1.059 69 R CA 0.504 56.522 56.100 -0.136 0.000 0.997 69 R CB -0.289 29.877 30.300 -0.224 0.000 0.884 69 R HN 0.211 nan 8.270 nan 0.000 0.462 70 F N 0.659 120.575 119.950 -0.056 0.000 2.313 70 F HA 0.198 4.725 4.527 -0.000 0.000 0.369 70 F C 0.605 176.365 175.800 -0.067 0.000 1.109 70 F CA -0.529 57.424 58.000 -0.078 0.000 1.132 70 F CB 1.230 40.165 39.000 -0.109 0.000 1.291 70 F HN -0.182 nan 8.300 nan 0.000 0.496 71 S N 2.366 118.107 115.700 0.068 0.000 2.617 71 S HA 0.294 4.764 4.470 -0.000 0.000 0.269 71 S C 1.071 175.682 174.600 0.019 0.000 1.292 71 S CA -0.598 57.644 58.200 0.069 0.000 1.010 71 S CB 0.850 64.102 63.200 0.087 0.000 0.944 71 S HN 0.543 nan 8.310 nan 0.000 0.536 72 K N 1.258 121.663 120.400 0.008 0.000 2.355 72 K HA 0.210 4.530 4.320 -0.000 0.000 0.198 72 K C -0.201 176.409 176.600 0.016 0.000 1.039 72 K CA -0.053 56.172 56.287 -0.103 0.000 1.075 72 K CB -0.086 32.294 32.500 -0.201 0.000 0.870 72 K HN 0.613 nan 8.250 nan 0.000 0.540 73 D N -0.082 120.373 120.400 0.091 0.000 2.343 73 D HA -0.017 4.623 4.640 -0.000 0.000 0.255 73 D C 0.481 176.774 176.300 -0.011 0.000 1.187 73 D CA -0.244 53.789 54.000 0.055 0.000 0.875 73 D CB 0.455 41.298 40.800 0.072 0.000 1.136 73 D HN 0.010 nan 8.370 nan 0.000 0.469 74 W N 2.860 124.075 121.300 -0.142 0.000 2.387 74 W HA -0.197 4.462 4.660 -0.001 0.000 0.272 74 W C 2.636 178.966 176.519 -0.315 0.000 1.224 74 W CA 1.316 58.457 57.345 -0.340 0.000 1.210 74 W CB -0.171 29.105 29.460 -0.307 0.000 1.125 74 W HN 0.543 nan 8.180 nan 0.000 0.572 75 R N 0.496 121.010 120.500 0.023 0.000 2.241 75 R HA -0.106 4.234 4.340 -0.000 0.000 0.224 75 R C 1.313 177.582 176.300 -0.051 0.000 1.101 75 R CA 1.842 57.949 56.100 0.012 0.000 0.995 75 R CB -1.427 28.899 30.300 0.044 0.000 0.870 75 R HN 0.303 nan 8.270 nan 0.000 0.463 76 N N -0.193 118.443 118.700 -0.106 0.000 2.336 76 N HA 0.021 4.761 4.740 -0.000 0.000 0.189 76 N C 0.030 175.403 175.510 -0.228 0.000 1.113 76 N CA 0.447 53.437 53.050 -0.099 0.000 0.858 76 N CB 0.608 39.096 38.487 0.001 0.000 0.970 76 N HN 0.479 nan 8.380 nan 0.000 0.471 77 S N -0.162 115.231 115.700 -0.512 0.000 2.646 77 S HA 0.246 4.715 4.470 -0.000 0.000 0.276 77 S C 1.325 175.793 174.600 -0.220 0.000 1.222 77 S CA -0.427 57.363 58.200 -0.685 0.000 1.014 77 S CB 1.081 63.477 63.200 -1.339 0.000 0.991 77 S HN 0.302 nan 8.310 nan 0.000 0.533 78 T N -0.235 114.258 114.554 -0.102 0.000 3.086 78 T HA 0.190 4.540 4.350 -0.000 0.000 0.250 78 T C 0.485 175.201 174.700 0.026 0.000 1.074 78 T CA -0.149 61.942 62.100 -0.015 0.000 0.988 78 T CB -0.523 68.356 68.868 0.018 0.000 0.988 78 T HN 0.508 nan 8.240 nan 0.000 0.530 79 T N 5.031 119.621 114.554 0.060 0.000 2.817 79 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 79 T C -2.330 172.411 174.700 0.068 0.000 0.958 79 T CA -0.697 61.477 62.100 0.122 0.000 1.157 79 T CB 0.469 69.517 68.868 0.299 0.000 0.898 79 T HN 0.228 nan 8.240 nan 0.000 0.536 80 P HA 0.366 nan 4.420 nan 0.000 0.263 80 P C -0.245 177.047 177.300 -0.013 0.000 1.195 80 P CA 0.034 63.141 63.100 0.012 0.000 0.762 80 P CB 0.189 31.896 31.700 0.010 0.000 0.799 89 N N 1.488 120.082 118.700 -0.177 0.000 2.421 89 N HA 0.437 5.177 4.740 -0.000 0.000 0.260 89 N C 0.076 175.524 175.510 -0.104 0.000 1.173 89 N CA -0.065 52.933 53.050 -0.086 0.000 0.960 89 N CB -0.928 37.538 38.487 -0.035 0.000 1.273 89 N HN 0.733 nan 8.380 nan 0.000 0.497 90 H N 1.071 120.186 119.070 0.075 0.000 2.815 90 H HA 0.048 4.604 4.556 -0.000 0.000 0.350 90 H C 0.540 175.939 175.328 0.117 0.000 1.080 90 H CA 0.137 56.251 56.048 0.110 0.000 1.433 90 H CB 0.786 30.652 29.762 0.173 0.000 1.432 90 H HN 0.916 nan 8.280 nan 0.000 0.592 91 N N 1.668 120.513 118.700 0.241 0.000 2.288 91 N HA -0.079 4.661 4.740 -0.000 0.000 0.237 91 N C 1.384 177.031 175.510 0.230 0.000 1.311 91 N CA -0.341 52.825 53.050 0.194 0.000 0.909 91 N CB 0.689 39.278 38.487 0.170 0.000 1.167 91 N HN 0.680 nan 8.380 nan 0.000 0.476 92 M N -0.627 119.102 119.600 0.214 0.000 2.088 92 M HA -0.194 4.286 4.480 -0.000 0.000 0.256 92 M C 1.507 178.050 176.300 0.406 0.000 1.071 92 M CA 1.784 57.252 55.300 0.282 0.000 1.097 92 M CB -0.331 32.397 32.600 0.213 0.000 1.315 92 M HN 0.633 nan 8.290 nan 0.000 0.406 93 L N 0.593 121.990 121.223 0.289 0.000 2.362 93 L HA -0.073 4.267 4.340 -0.000 0.000 0.219 93 L C 1.010 177.901 176.870 0.034 0.000 1.134 93 L CA 1.758 56.697 54.840 0.165 0.000 0.807 93 L CB -0.465 41.657 42.059 0.106 0.000 0.927 93 L HN 0.353 nan 8.230 nan 0.000 0.447 94 E N -0.947 119.349 120.200 0.161 0.000 2.499 94 E HA 0.236 4.585 4.350 -0.000 0.000 0.207 94 E C -0.334 176.372 176.600 0.176 0.000 1.034 94 E CA -0.173 56.316 56.400 0.149 0.000 1.098 94 E CB 0.306 30.172 29.700 0.276 0.000 1.148 94 E HN 0.265 nan 8.360 nan 0.000 0.447 95 S N 0.343 116.181 115.700 0.230 0.000 2.595 95 S HA 0.391 4.861 4.470 -0.000 0.000 0.281 95 S C -0.882 173.887 174.600 0.282 0.000 1.117 95 S CA -1.020 57.332 58.200 0.254 0.000 0.873 95 S CB 2.041 65.412 63.200 0.285 0.000 1.108 95 S HN 0.066 nan 8.310 nan 0.000 0.477 96 D N 1.646 122.171 120.400 0.208 0.000 2.414 96 D HA 0.526 5.166 4.640 -0.000 0.000 0.241 96 D C -2.576 173.821 176.300 0.163 0.000 1.008 96 D CA -1.504 52.590 54.000 0.157 0.000 1.001 96 D CB 0.789 41.652 40.800 0.105 0.000 1.277 96 D HN 0.182 nan 8.370 nan 0.000 0.538 97 P HA 0.138 nan 4.420 nan 0.000 0.272 97 P C -1.730 175.620 177.300 0.082 0.000 1.230 97 P CA -0.832 62.337 63.100 0.116 0.000 0.788 97 P CB 0.419 32.168 31.700 0.083 0.000 0.949 98 P HA 0.019 nan 4.420 nan 0.000 0.231 98 P C 1.597 178.940 177.300 0.071 0.000 1.168 98 P CA 0.645 63.783 63.100 0.064 0.000 0.779 98 P CB 0.269 31.995 31.700 0.043 0.000 0.844 99 R N 0.135 120.689 120.500 0.091 0.000 2.080 99 R HA -0.208 4.132 4.340 -0.000 0.000 0.236 99 R C 2.658 179.016 176.300 0.096 0.000 1.137 99 R CA 1.514 57.670 56.100 0.092 0.000 0.943 99 R CB -0.980 29.389 30.300 0.115 0.000 0.846 99 R HN 0.224 nan 8.270 nan 0.000 0.431 100 H N 0.004 119.115 119.070 0.068 0.000 2.352 100 H HA -0.089 4.467 4.556 -0.000 0.000 0.299 100 H C 1.392 176.735 175.328 0.024 0.000 1.097 100 H CA 2.182 58.268 56.048 0.063 0.000 1.311 100 H CB -0.184 29.611 29.762 0.055 0.000 1.377 100 H HN 0.256 nan 8.280 nan 0.000 0.504 101 T N 1.186 115.738 114.554 -0.003 0.000 2.699 101 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 101 T C 2.158 176.797 174.700 -0.102 0.000 1.036 101 T CA 1.826 63.897 62.100 -0.049 0.000 1.147 101 T CB -0.229 68.661 68.868 0.036 0.000 0.862 101 T HN 0.401 nan 8.240 nan 0.000 0.446 102 R N 0.706 121.173 120.500 -0.055 0.000 2.066 102 R HA 0.024 4.364 4.340 -0.000 0.000 0.232 102 R C 2.451 178.714 176.300 -0.060 0.000 1.131 102 R CA 1.116 57.192 56.100 -0.039 0.000 0.955 102 R CB -0.453 29.843 30.300 -0.006 0.000 0.851 102 R HN 0.351 nan 8.270 nan 0.000 0.432 103 L N 0.417 121.595 121.223 -0.076 0.000 2.042 103 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 103 L C 2.832 179.644 176.870 -0.097 0.000 1.076 103 L CA 1.507 56.310 54.840 -0.061 0.000 0.749 103 L CB -0.486 41.556 42.059 -0.028 0.000 0.893 103 L HN 0.202 nan 8.230 nan 0.000 0.432 104 R N 1.116 121.472 120.500 -0.240 0.000 2.081 104 R HA -0.161 4.178 4.340 -0.000 0.000 0.235 104 R C 2.455 178.707 176.300 -0.081 0.000 1.131 104 R CA 2.243 58.220 56.100 -0.206 0.000 0.960 104 R CB -0.600 29.439 30.300 -0.436 0.000 0.856 104 R HN 0.220 nan 8.270 nan 0.000 0.436 105 K N 0.635 120.988 120.400 -0.079 0.000 2.097 105 K HA 0.013 4.332 4.320 -0.000 0.000 0.205 105 K C 2.279 178.875 176.600 -0.007 0.000 1.050 105 K CA 1.557 57.826 56.287 -0.030 0.000 0.938 105 K CB -0.931 31.552 32.500 -0.028 0.000 0.718 105 K HN 0.313 nan 8.250 nan 0.000 0.442 106 L N -0.025 121.193 121.223 -0.009 0.000 2.017 106 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 106 L C 2.650 179.537 176.870 0.028 0.000 1.073 106 L CA 1.440 56.284 54.840 0.008 0.000 0.745 106 L CB -0.323 41.739 42.059 0.005 0.000 0.894 106 L HN 0.330 nan 8.230 nan 0.000 0.432 107 V N -0.460 119.478 119.914 0.041 0.000 2.488 107 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 107 V C 2.543 178.714 176.094 0.128 0.000 1.046 107 V CA 1.537 63.888 62.300 0.085 0.000 1.053 107 V CB 0.066 31.956 31.823 0.112 0.000 0.679 107 V HN 0.386 nan 8.190 nan 0.000 0.458 108 A N 0.479 123.353 122.820 0.089 0.000 1.940 108 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 108 A C 2.423 180.050 177.584 0.072 0.000 1.176 108 A CA 2.016 54.100 52.037 0.078 0.000 0.631 108 A CB -0.749 18.271 19.000 0.033 0.000 0.814 108 A HN 0.589 nan 8.150 nan 0.000 0.446 109 R N -0.769 119.764 120.500 0.054 0.000 2.152 109 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 109 R C 1.206 177.541 176.300 0.059 0.000 1.117 109 R CA 1.596 57.722 56.100 0.044 0.000 0.981 109 R CB -0.016 30.301 30.300 0.028 0.000 0.870 109 R HN 0.474 nan 8.270 nan 0.000 0.451 110 E N -0.516 119.734 120.200 0.084 0.000 2.244 110 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 110 E C 0.191 176.892 176.600 0.167 0.000 0.939 110 E CA 0.157 56.610 56.400 0.088 0.000 0.884 110 E CB -0.007 29.723 29.700 0.050 0.000 0.850 110 E HN 0.258 nan 8.360 nan 0.000 0.481 111 F N 4.072 124.026 119.950 0.007 0.000 2.652 111 F HA 0.079 4.606 4.527 -0.000 0.000 0.352 111 F C 0.291 176.097 175.800 0.010 0.000 1.259 111 F CA -0.419 57.587 58.000 0.010 0.000 1.249 111 F CB 0.025 39.035 39.000 0.015 0.000 1.628 111 F HN -0.146 nan 8.300 nan 0.000 0.654 112 T N 0.510 115.199 114.554 0.225 0.000 2.936 112 T HA 0.200 4.550 4.350 -0.000 0.000 0.282 112 T C 1.301 176.027 174.700 0.044 0.000 1.003 112 T CA -1.033 61.112 62.100 0.076 0.000 1.005 112 T CB 1.784 70.689 68.868 0.062 0.000 1.097 112 T HN 0.381 nan 8.240 nan 0.000 0.532 113 M N 0.222 119.820 119.600 -0.002 0.000 2.159 113 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 113 M C 2.388 178.702 176.300 0.023 0.000 1.063 113 M CA 1.431 56.727 55.300 -0.007 0.000 1.110 113 M CB -1.077 31.514 32.600 -0.015 0.000 1.374 113 M HN 0.786 nan 8.290 nan 0.000 0.411 114 R N 0.214 120.732 120.500 0.030 0.000 2.075 114 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 114 R C 2.248 178.577 176.300 0.049 0.000 1.126 114 R CA 1.471 57.591 56.100 0.034 0.000 0.963 114 R CB -0.309 30.008 30.300 0.028 0.000 0.858 114 R HN 0.333 nan 8.270 nan 0.000 0.435 115 R N 0.253 120.798 120.500 0.075 0.000 2.096 115 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 115 R C 2.076 178.440 176.300 0.106 0.000 1.127 115 R CA 1.479 57.634 56.100 0.092 0.000 0.968 115 R CB -0.136 30.244 30.300 0.134 0.000 0.861 115 R HN 0.105 nan 8.270 nan 0.000 0.440 116 V N 1.158 121.147 119.914 0.126 0.000 2.307 116 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 116 V C 2.258 178.395 176.094 0.071 0.000 1.045 116 V CA 2.106 64.477 62.300 0.120 0.000 1.024 116 V CB -0.533 31.343 31.823 0.087 0.000 0.651 116 V HN 0.378 nan 8.190 nan 0.000 0.449 117 E N 0.466 120.697 120.200 0.050 0.000 2.160 117 E HA -0.198 4.151 4.350 -0.000 0.000 0.195 117 E C 1.927 178.548 176.600 0.034 0.000 0.991 117 E CA 1.399 57.821 56.400 0.037 0.000 0.810 117 E CB -0.430 29.286 29.700 0.027 0.000 0.742 117 E HN 0.581 nan 8.360 nan 0.000 0.466 118 L N -0.185 121.060 121.223 0.037 0.000 2.376 118 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 118 L C 1.961 178.848 176.870 0.028 0.000 1.133 118 L CA 0.327 55.184 54.840 0.029 0.000 0.816 118 L CB -0.103 41.972 42.059 0.026 0.000 0.933 118 L HN 0.198 nan 8.230 nan 0.000 0.449 119 L N -0.766 120.480 121.223 0.038 0.000 2.492 119 L HA -0.053 4.287 4.340 -0.000 0.000 0.223 119 L C 2.580 179.469 176.870 0.031 0.000 1.132 119 L CA 0.208 55.069 54.840 0.035 0.000 0.850 119 L CB -0.300 41.790 42.059 0.051 0.000 0.966 119 L HN 0.261 nan 8.230 nan 0.000 0.454 120 R N 1.440 121.959 120.500 0.032 0.000 2.115 120 R HA -0.195 4.144 4.340 -0.000 0.000 0.239 120 R C -0.463 175.850 176.300 0.021 0.000 1.133 120 R CA 2.319 58.436 56.100 0.028 0.000 0.935 120 R CB -1.353 28.962 30.300 0.026 0.000 0.853 120 R HN 0.193 nan 8.270 nan 0.000 0.433 121 P HA -0.193 nan 4.420 nan 0.000 0.216 121 P C 0.662 177.968 177.300 0.009 0.000 1.150 121 P CA 1.471 64.577 63.100 0.011 0.000 0.843 121 P CB -0.166 31.538 31.700 0.008 0.000 0.787 122 R N -0.205 120.301 120.500 0.010 0.000 2.073 122 R HA 0.000 4.340 4.340 -0.000 0.000 0.229 122 R C 2.467 178.773 176.300 0.010 0.000 1.120 122 R CA 0.669 56.773 56.100 0.006 0.000 0.967 122 R CB -1.829 28.473 30.300 0.003 0.000 0.862 122 R HN 0.171 nan 8.270 nan 0.000 0.436 123 V N 1.324 121.249 119.914 0.018 0.000 2.343 123 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 123 V C 2.497 178.603 176.094 0.019 0.000 1.051 123 V CA 1.950 64.264 62.300 0.023 0.000 1.036 123 V CB -0.518 31.325 31.823 0.034 0.000 0.654 123 V HN 0.239 nan 8.190 nan 0.000 0.451 124 Q N 0.511 120.321 119.800 0.016 0.000 2.084 124 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 124 Q C 2.186 178.189 176.000 0.005 0.000 0.978 124 Q CA 2.285 58.095 55.803 0.012 0.000 0.844 124 Q CB -0.383 28.361 28.738 0.010 0.000 0.898 124 Q HN 0.706 nan 8.270 nan 0.000 0.426 125 E N -0.492 119.711 120.200 0.004 0.000 2.058 125 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 125 E C 1.937 178.537 176.600 -0.001 0.000 0.997 125 E CA 1.530 57.930 56.400 -0.001 0.000 0.801 125 E CB -0.220 29.480 29.700 -0.001 0.000 0.746 125 E HN 0.494 nan 8.360 nan 0.000 0.450 126 I N 0.245 120.816 120.570 0.003 0.000 2.163 126 I HA -0.279 3.890 4.170 -0.000 0.000 0.243 126 I C 2.382 178.503 176.117 0.005 0.000 1.085 126 I CA 0.758 62.061 61.300 0.004 0.000 1.347 126 I CB -0.217 37.788 38.000 0.009 0.000 1.044 126 I HN 0.068 nan 8.210 nan 0.000 0.408 127 V N 0.778 120.696 119.914 0.008 0.000 2.261 127 V HA -0.296 3.823 4.120 -0.000 0.000 0.246 127 V C 2.121 178.210 176.094 -0.008 0.000 1.047 127 V CA 2.070 64.374 62.300 0.006 0.000 1.015 127 V CB -0.695 31.135 31.823 0.011 0.000 0.642 127 V HN 0.390 nan 8.190 nan 0.000 0.446 128 D N 0.740 121.133 120.400 -0.011 0.000 2.133 128 D HA -0.161 4.478 4.640 -0.000 0.000 0.195 128 D C 2.172 178.456 176.300 -0.027 0.000 0.997 128 D CA 1.798 55.785 54.000 -0.021 0.000 0.840 128 D CB -0.693 40.097 40.800 -0.017 0.000 0.947 128 D HN 0.487 nan 8.370 nan 0.000 0.452 129 G N 0.455 109.244 108.800 -0.018 0.000 2.402 129 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 129 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 129 G C 1.812 176.700 174.900 -0.020 0.000 1.162 129 G CA 0.273 45.362 45.100 -0.018 0.000 0.777 129 G HN 0.257 nan 8.290 nan 0.000 0.539 130 L N 0.211 121.426 121.223 -0.014 0.000 2.093 130 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 130 L C 2.955 179.803 176.870 -0.036 0.000 1.085 130 L CA 0.354 55.187 54.840 -0.011 0.000 0.755 130 L CB -0.363 41.700 42.059 0.008 0.000 0.904 130 L HN 0.082 nan 8.230 nan 0.000 0.435 131 V N -0.404 119.477 119.914 -0.054 0.000 2.427 131 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 131 V C 2.067 178.082 176.094 -0.132 0.000 1.051 131 V CA 1.642 63.879 62.300 -0.105 0.000 1.048 131 V CB -0.503 31.258 31.823 -0.103 0.000 0.666 131 V HN 0.416 nan 8.190 nan 0.000 0.456 132 D N 0.751 121.098 120.400 -0.089 0.000 2.104 132 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 132 D C 2.244 178.501 176.300 -0.072 0.000 0.994 132 D CA 1.773 55.724 54.000 -0.081 0.000 0.830 132 D CB -0.331 40.440 40.800 -0.049 0.000 0.959 132 D HN 0.444 nan 8.370 nan 0.000 0.452 133 A N 0.756 123.546 122.820 -0.050 0.000 1.898 133 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 133 A C 2.190 179.759 177.584 -0.026 0.000 1.181 133 A CA 1.444 53.466 52.037 -0.026 0.000 0.620 133 A CB -0.580 18.413 19.000 -0.010 0.000 0.819 133 A HN 0.220 nan 8.150 nan 0.000 0.442 134 M N -0.407 119.157 119.600 -0.059 0.000 2.132 134 M HA -0.027 4.453 4.480 -0.000 0.000 0.263 134 M C 1.273 177.486 176.300 -0.144 0.000 1.065 134 M CA 1.504 56.768 55.300 -0.059 0.000 1.122 134 M CB -0.212 32.328 32.600 -0.102 0.000 1.365 134 M HN 0.362 nan 8.290 nan 0.000 0.411 135 L N 0.110 121.142 121.223 -0.318 0.000 2.650 135 L HA 0.026 4.366 4.340 -0.000 0.000 0.235 135 L C 2.053 178.904 176.870 -0.032 0.000 1.149 135 L CA 0.094 54.680 54.840 -0.422 0.000 0.887 135 L CB -0.717 41.035 42.059 -0.511 0.000 1.021 135 L HN 0.345 nan 8.230 nan 0.000 0.441 136 A N 0.178 123.017 122.820 0.032 0.000 2.238 136 A HA 0.362 4.682 4.320 -0.000 0.000 0.210 136 A C 1.391 179.058 177.584 0.137 0.000 1.179 136 A CA 0.216 52.297 52.037 0.072 0.000 0.827 136 A CB -0.146 18.874 19.000 0.034 0.000 0.856 136 A HN 0.267 nan 8.150 nan 0.000 0.488 137 A N 1.095 124.057 122.820 0.236 0.000 2.545 137 A HA 0.399 4.719 4.320 -0.000 0.000 0.253 137 A C -0.880 176.811 177.584 0.178 0.000 1.074 137 A CA -0.605 51.568 52.037 0.227 0.000 0.760 137 A CB -0.103 19.096 19.000 0.333 0.000 1.005 137 A HN 0.234 nan 8.150 nan 0.000 0.506 138 P HA -0.167 nan 4.420 nan 0.000 0.216 138 P C 0.583 177.892 177.300 0.016 0.000 1.150 138 P CA 1.744 64.875 63.100 0.051 0.000 0.843 138 P CB 0.129 31.845 31.700 0.027 0.000 0.787 139 D N -2.261 118.124 120.400 -0.025 0.000 2.342 139 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 139 D C 1.143 177.307 176.300 -0.228 0.000 1.101 139 D CA 0.133 54.075 54.000 -0.097 0.000 0.837 139 D CB -1.080 39.661 40.800 -0.098 0.000 0.938 139 D HN 0.137 nan 8.370 nan 0.000 0.508 140 G N 0.793 109.446 108.800 -0.246 0.000 2.283 140 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.280 140 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.280 140 G C 0.062 174.076 174.900 -1.476 0.000 1.029 140 G CA 0.237 44.856 45.100 -0.803 0.000 0.840 140 G HN 0.475 nan 8.290 nan 0.000 0.505 141 R N -0.878 119.117 120.500 -0.841 0.000 2.837 141 R HA 0.878 5.217 4.340 -0.000 0.000 0.271 141 R C -0.229 175.951 176.300 -0.199 0.000 0.993 141 R CA -0.132 55.611 56.100 -0.596 0.000 0.931 141 R CB 2.250 32.371 30.300 -0.299 0.000 1.206 141 R HN 1.067 nan 8.270 nan 0.000 0.474 142 A N 0.861 123.665 122.820 -0.027 0.000 2.549 142 A HA 0.243 4.563 4.320 -0.000 0.000 0.291 142 A C -2.064 175.576 177.584 0.093 0.000 1.034 142 A CA -0.802 51.312 52.037 0.129 0.000 0.655 142 A CB 1.610 20.820 19.000 0.348 0.000 1.299 142 A HN 0.652 nan 8.150 nan 0.000 0.427 143 D N 0.904 121.341 120.400 0.062 0.000 2.359 143 D HA 0.366 5.006 4.640 -0.000 0.000 0.230 143 D C 0.881 177.216 176.300 0.058 0.000 1.118 143 D CA -0.464 53.553 54.000 0.028 0.000 0.844 143 D CB 1.101 41.893 40.800 -0.014 0.000 1.059 143 D HN 0.427 nan 8.370 nan 0.000 0.493 144 L N 4.522 125.787 121.223 0.070 0.000 2.127 144 L HA -0.133 4.207 4.340 -0.000 0.000 0.211 144 L C 1.893 178.808 176.870 0.076 0.000 1.089 144 L CA 1.715 56.604 54.840 0.082 0.000 0.757 144 L CB -0.379 41.730 42.059 0.083 0.000 0.899 144 L HN 0.626 nan 8.230 nan 0.000 0.434 145 M N -1.230 118.405 119.600 0.059 0.000 2.077 145 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 145 M C 2.229 178.599 176.300 0.116 0.000 1.070 145 M CA 2.067 57.424 55.300 0.096 0.000 1.125 145 M CB -0.573 32.067 32.600 0.067 0.000 1.339 145 M HN 0.335 nan 8.290 nan 0.000 0.409 146 E N 0.165 120.388 120.200 0.039 0.000 2.077 146 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 146 E C 1.809 178.448 176.600 0.065 0.000 0.989 146 E CA 1.597 58.004 56.400 0.012 0.000 0.800 146 E CB 0.147 29.821 29.700 -0.044 0.000 0.746 146 E HN 0.349 nan 8.360 nan 0.000 0.452 147 S N -0.265 115.475 115.700 0.067 0.000 2.436 147 S HA -0.017 4.452 4.470 -0.000 0.000 0.228 147 S C 1.445 176.087 174.600 0.070 0.000 1.014 147 S CA 0.870 59.109 58.200 0.065 0.000 0.950 147 S CB 0.185 63.425 63.200 0.066 0.000 0.784 147 S HN 0.317 nan 8.310 nan 0.000 0.504 148 L N -0.400 120.877 121.223 0.089 0.000 2.437 148 L HA 0.545 4.885 4.340 -0.000 0.000 0.188 148 L C 1.914 178.850 176.870 0.110 0.000 1.123 148 L CA 0.961 55.850 54.840 0.082 0.000 0.981 148 L CB -1.115 40.977 42.059 0.055 0.000 1.935 148 L HN 0.035 nan 8.230 nan 0.000 0.494 149 A N -0.387 122.506 122.820 0.122 0.000 1.892 149 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 149 A C 2.027 179.707 177.584 0.160 0.000 1.188 149 A CA 2.478 54.593 52.037 0.130 0.000 0.631 149 A CB -1.367 17.714 19.000 0.135 0.000 0.822 149 A HN 0.697 nan 8.150 nan 0.000 0.447 150 W N 0.224 121.560 121.300 0.059 0.000 2.441 150 W HA 0.049 4.708 4.660 -0.000 0.000 0.302 150 W C -0.902 175.736 176.519 0.198 0.000 1.191 150 W CA 1.912 59.319 57.345 0.103 0.000 1.327 150 W CB -0.759 28.716 29.460 0.025 0.000 1.128 150 W HN 0.299 nan 8.180 nan 0.000 0.522 151 P HA -0.145 nan 4.420 nan 0.000 0.219 151 P C 1.730 179.066 177.300 0.060 0.000 1.150 151 P CA 1.190 64.388 63.100 0.163 0.000 0.814 151 P CB -0.256 31.531 31.700 0.145 0.000 0.787 152 L N 0.753 122.014 121.223 0.064 0.000 1.970 152 L HA -0.078 4.262 4.340 -0.000 0.000 0.212 152 L C -0.827 176.057 176.870 0.024 0.000 1.071 152 L CA 2.859 57.723 54.840 0.041 0.000 0.751 152 L CB -2.281 39.808 42.059 0.051 0.000 0.889 152 L HN -0.011 nan 8.230 nan 0.000 0.432 153 P HA -0.183 nan 4.420 nan 0.000 0.215 153 P C 1.974 179.246 177.300 -0.046 0.000 1.153 153 P CA 1.512 64.646 63.100 0.056 0.000 0.853 153 P CB -0.133 31.663 31.700 0.159 0.000 0.788 154 I N -1.192 119.215 120.570 -0.271 0.000 2.394 154 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 154 I C 1.682 177.748 176.117 -0.085 0.000 1.136 154 I CA 1.942 62.996 61.300 -0.409 0.000 1.425 154 I CB -1.079 36.439 38.000 -0.803 0.000 1.079 154 I HN -0.110 nan 8.210 nan 0.000 0.425 155 T N -0.388 114.136 114.554 -0.050 0.000 2.857 155 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 155 T C 2.021 176.717 174.700 -0.007 0.000 1.048 155 T CA 1.574 63.671 62.100 -0.006 0.000 1.139 155 T CB -0.284 68.585 68.868 0.001 0.000 0.874 155 T HN 0.179 nan 8.240 nan 0.000 0.455 156 V N 1.862 121.775 119.914 -0.001 0.000 2.358 156 V HA -0.116 4.003 4.120 -0.000 0.000 0.246 156 V C 2.462 178.557 176.094 0.001 0.000 1.047 156 V CA 1.067 63.373 62.300 0.009 0.000 1.035 156 V CB -0.535 31.309 31.823 0.034 0.000 0.658 156 V HN 0.421 nan 8.190 nan 0.000 0.452 157 I N 0.202 120.778 120.570 0.010 0.000 2.208 157 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 157 I C 2.591 178.691 176.117 -0.028 0.000 1.097 157 I CA 1.599 62.911 61.300 0.020 0.000 1.363 157 I CB -1.353 36.694 38.000 0.077 0.000 1.051 157 I HN 0.292 nan 8.210 nan 0.000 0.413 158 S N 0.337 116.009 115.700 -0.045 0.000 2.370 158 S HA -0.237 4.233 4.470 -0.000 0.000 0.226 158 S C 1.915 176.420 174.600 -0.159 0.000 1.033 158 S CA 1.653 59.729 58.200 -0.206 0.000 1.011 158 S CB -0.156 62.945 63.200 -0.165 0.000 0.852 158 S HN 0.431 nan 8.310 nan 0.000 0.457 159 E N 1.278 121.424 120.200 -0.089 0.000 2.047 159 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 159 E C 1.927 178.479 176.600 -0.080 0.000 0.987 159 E CA 0.761 57.118 56.400 -0.070 0.000 0.799 159 E CB -0.513 29.164 29.700 -0.038 0.000 0.752 159 E HN 0.336 nan 8.360 nan 0.000 0.449 160 L N 0.152 121.326 121.223 -0.083 0.000 2.012 160 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 160 L C 1.902 178.686 176.870 -0.144 0.000 1.073 160 L CA 1.675 56.444 54.840 -0.119 0.000 0.748 160 L CB -0.292 41.676 42.059 -0.150 0.000 0.891 160 L HN 0.252 nan 8.230 nan 0.000 0.431 161 L N -0.285 120.854 121.223 -0.140 0.000 2.627 161 L HA 0.219 4.559 4.340 -0.000 0.000 0.233 161 L C 1.220 178.008 176.870 -0.137 0.000 1.144 161 L CA 0.389 55.145 54.840 -0.139 0.000 0.892 161 L CB -1.082 40.901 42.059 -0.127 0.000 1.039 161 L HN 0.538 nan 8.230 nan 0.000 0.442 162 G N 0.983 109.707 108.800 -0.126 0.000 2.295 162 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.287 162 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.287 162 G C 0.076 174.906 174.900 -0.116 0.000 1.055 162 G CA -0.002 45.035 45.100 -0.106 0.000 0.922 162 G HN 0.135 nan 8.290 nan 0.000 0.503 163 V N 1.200 121.013 119.914 -0.167 0.000 2.470 163 V HA 0.276 4.396 4.120 -0.000 0.000 0.276 163 V C -1.181 174.860 176.094 -0.089 0.000 1.040 163 V CA -1.212 60.990 62.300 -0.164 0.000 1.008 163 V CB 1.226 32.800 31.823 -0.415 0.000 0.990 163 V HN 0.226 nan 8.190 nan 0.000 0.477 164 P HA 0.064 nan 4.420 nan 0.000 0.265 164 P C 0.781 178.066 177.300 -0.025 0.000 1.193 164 P CA 0.020 63.114 63.100 -0.011 0.000 0.765 164 P CB 0.743 32.458 31.700 0.026 0.000 0.823 165 E N 5.544 125.726 120.200 -0.030 0.000 2.108 165 E HA -0.226 4.124 4.350 -0.000 0.000 0.203 165 E C -0.741 175.838 176.600 -0.034 0.000 1.022 165 E CA 2.499 58.879 56.400 -0.033 0.000 0.823 165 E CB -1.830 27.855 29.700 -0.025 0.000 0.744 165 E HN 0.477 nan 8.360 nan 0.000 0.456 166 P HA -0.105 nan 4.420 nan 0.000 0.221 166 P C 0.227 177.499 177.300 -0.047 0.000 1.145 166 P CA 1.489 64.574 63.100 -0.025 0.000 0.795 166 P CB 0.049 31.747 31.700 -0.005 0.000 0.775 167 D N -2.039 118.335 120.400 -0.043 0.000 2.366 167 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 167 D C 1.892 178.108 176.300 -0.139 0.000 1.022 167 D CA 0.158 54.095 54.000 -0.105 0.000 0.868 167 D CB -0.055 40.733 40.800 -0.020 0.000 0.953 167 D HN 0.013 nan 8.370 nan 0.000 0.514 168 R N 1.668 122.117 120.500 -0.085 0.000 2.115 168 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 168 R C 2.241 178.516 176.300 -0.043 0.000 1.133 168 R CA 1.455 57.531 56.100 -0.040 0.000 0.935 168 R CB -1.252 29.026 30.300 -0.037 0.000 0.853 168 R HN 0.175 nan 8.270 nan 0.000 0.433 169 A N 1.208 123.971 122.820 -0.094 0.000 1.884 169 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 169 A C 2.468 179.908 177.584 -0.241 0.000 1.197 169 A CA 2.662 54.623 52.037 -0.127 0.000 0.637 169 A CB -0.870 18.058 19.000 -0.120 0.000 0.827 169 A HN 0.449 nan 8.150 nan 0.000 0.450 170 A N -1.795 120.791 122.820 -0.390 0.000 1.898 170 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 170 A C 2.049 179.031 177.584 -1.003 0.000 1.181 170 A CA 1.599 53.149 52.037 -0.812 0.000 0.620 170 A CB -0.694 17.719 19.000 -0.978 0.000 0.819 170 A HN 0.620 nan 8.150 nan 0.000 0.442 171 F N 0.697 120.234 119.950 -0.687 0.000 2.126 171 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 171 F C 2.450 178.184 175.800 -0.109 0.000 1.096 171 F CA 1.855 59.704 58.000 -0.252 0.000 1.255 171 F CB -0.216 38.708 39.000 -0.126 0.000 0.997 171 F HN 0.123 nan 8.300 nan 0.000 0.479 172 R N -0.514 119.959 120.500 -0.045 0.000 2.081 172 R HA -0.132 4.207 4.340 -0.000 0.000 0.235 172 R C 2.156 178.432 176.300 -0.040 0.000 1.131 172 R CA 1.658 57.738 56.100 -0.033 0.000 0.960 172 R CB -0.861 29.446 30.300 0.012 0.000 0.856 172 R HN 0.222 nan 8.270 nan 0.000 0.436 173 V N -0.035 119.787 119.914 -0.154 0.000 2.343 173 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 173 V C 2.125 178.214 176.094 -0.009 0.000 1.051 173 V CA 1.504 63.729 62.300 -0.125 0.000 1.036 173 V CB -0.546 31.127 31.823 -0.251 0.000 0.654 173 V HN 0.426 nan 8.190 nan 0.000 0.451 174 W N 0.502 121.760 121.300 -0.071 0.000 2.355 174 W HA -0.126 4.534 4.660 -0.000 0.000 0.309 174 W C 2.679 179.157 176.519 -0.070 0.000 1.206 174 W CA 1.762 59.056 57.345 -0.084 0.000 1.284 174 W CB -1.801 27.569 29.460 -0.150 0.000 1.145 174 W HN 0.262 nan 8.180 nan 0.000 0.502 175 T N 0.605 115.216 114.554 0.096 0.000 2.684 175 T HA -0.210 4.139 4.350 -0.000 0.000 0.267 175 T C 1.103 175.996 174.700 0.322 0.000 1.036 175 T CA 2.164 64.307 62.100 0.072 0.000 1.148 175 T CB -0.489 68.301 68.868 -0.130 0.000 0.863 175 T HN -0.020 nan 8.240 nan 0.000 0.436 176 D N 1.096 121.710 120.400 0.358 0.000 2.117 176 D HA 0.025 4.664 4.640 -0.000 0.000 0.197 176 D C 2.248 178.717 176.300 0.283 0.000 0.987 176 D CA 1.114 55.353 54.000 0.398 0.000 0.829 176 D CB -0.303 40.596 40.800 0.166 0.000 0.961 176 D HN 0.402 nan 8.370 nan 0.000 0.460 177 A N 0.113 123.057 122.820 0.208 0.000 1.969 177 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 177 A C 2.131 179.811 177.584 0.160 0.000 1.169 177 A CA 1.396 53.534 52.037 0.168 0.000 0.635 177 A CB -1.202 17.892 19.000 0.157 0.000 0.810 177 A HN 0.332 nan 8.150 nan 0.000 0.445 178 F N -0.913 119.144 119.950 0.179 0.000 2.795 178 F HA 0.410 4.937 4.527 -0.000 0.000 0.303 178 F C 1.514 177.402 175.800 0.147 0.000 1.186 178 F CA 1.190 59.272 58.000 0.136 0.000 1.415 178 F CB -0.662 38.408 39.000 0.118 0.000 1.106 178 F HN 0.108 nan 8.300 nan 0.000 0.558 179 V N -3.131 116.902 119.914 0.199 0.000 3.219 179 V HA 0.212 4.331 4.120 -0.000 0.000 0.214 179 V C -0.255 175.796 176.094 -0.071 0.000 1.433 179 V CA 0.198 62.584 62.300 0.144 0.000 1.301 179 V CB 0.036 32.131 31.823 0.452 0.000 1.160 179 V HN 0.248 nan 8.190 nan 0.000 0.505 180 F N 2.375 122.319 119.950 -0.010 0.000 2.434 180 F HA 0.530 5.057 4.527 -0.000 0.000 0.316 180 F C -2.469 173.310 175.800 -0.036 0.000 1.222 180 F CA -2.788 55.169 58.000 -0.071 0.000 1.207 180 F CB -0.028 38.870 39.000 -0.171 0.000 1.466 180 F HN 0.078 nan 8.300 nan 0.000 0.545 181 P HA -0.050 nan 4.420 nan 0.000 0.258 181 P C 0.706 178.041 177.300 0.059 0.000 1.187 181 P CA 0.353 63.489 63.100 0.059 0.000 0.767 181 P CB 0.553 32.266 31.700 0.022 0.000 0.770 182 D N 2.224 122.660 120.400 0.060 0.000 2.264 182 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 182 D C 0.083 176.403 176.300 0.033 0.000 0.966 182 D CA 1.031 55.058 54.000 0.045 0.000 0.864 182 D CB -0.127 40.694 40.800 0.035 0.000 0.933 182 D HN 0.486 nan 8.370 nan 0.000 0.499 183 D N -2.802 117.616 120.400 0.031 0.000 2.710 183 D HA 0.188 4.828 4.640 -0.000 0.000 0.276 183 D C -2.554 173.759 176.300 0.021 0.000 1.267 183 D CA -1.375 52.638 54.000 0.023 0.000 0.772 183 D CB 0.747 41.560 40.800 0.021 0.000 1.299 183 D HN -0.365 nan 8.370 nan 0.000 0.421 184 P HA -0.075 nan 4.420 nan 0.000 0.218 184 P C 1.087 178.396 177.300 0.015 0.000 1.148 184 P CA 2.283 65.390 63.100 0.012 0.000 0.822 184 P CB 0.047 31.752 31.700 0.008 0.000 0.784 185 A N -0.272 122.559 122.820 0.019 0.000 1.832 185 A HA -0.197 4.123 4.320 -0.000 0.000 0.214 185 A C 2.594 180.197 177.584 0.031 0.000 1.200 185 A CA 2.538 54.589 52.037 0.022 0.000 0.610 185 A CB -1.854 17.160 19.000 0.023 0.000 0.842 185 A HN 0.208 nan 8.150 nan 0.000 0.444 186 Q N -0.726 119.099 119.800 0.041 0.000 2.268 186 Q HA -0.054 4.286 4.340 -0.000 0.000 0.210 186 Q C 2.328 178.363 176.000 0.059 0.000 0.988 186 Q CA 2.974 58.812 55.803 0.059 0.000 0.883 186 Q CB -1.599 27.179 28.738 0.066 0.000 0.911 186 Q HN 1.260 nan 8.270 nan 0.000 0.430 187 A N 0.268 123.113 122.820 0.043 0.000 1.862 187 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 187 A C 2.571 180.173 177.584 0.029 0.000 1.251 187 A CA 3.764 55.823 52.037 0.036 0.000 0.673 187 A CB -1.389 17.622 19.000 0.019 0.000 0.843 187 A HN 1.101 nan 8.150 nan 0.000 0.458 188 Q N -1.982 117.827 119.800 0.015 0.000 2.079 188 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 188 Q C 2.438 178.437 176.000 -0.001 0.000 0.974 188 Q CA 3.157 58.961 55.803 0.002 0.000 0.840 188 Q CB -2.202 26.533 28.738 -0.005 0.000 0.898 188 Q HN 1.124 nan 8.270 nan 0.000 0.430 189 T N 0.398 114.959 114.554 0.013 0.000 2.778 189 T HA 0.090 4.439 4.350 -0.000 0.000 0.269 189 T C 2.238 176.941 174.700 0.004 0.000 1.050 189 T CA 3.138 65.247 62.100 0.015 0.000 1.137 189 T CB -0.561 68.332 68.868 0.041 0.000 0.860 189 T HN 0.877 nan 8.240 nan 0.000 0.468 190 A N 0.504 123.342 122.820 0.031 0.000 1.898 190 A HA 0.375 4.695 4.320 -0.000 0.000 0.214 190 A C 2.949 180.468 177.584 -0.109 0.000 1.183 190 A CA 2.713 54.769 52.037 0.031 0.000 0.622 190 A CB -1.025 18.063 19.000 0.147 0.000 0.824 190 A HN 0.785 nan 8.150 nan 0.000 0.444 191 M N -0.431 119.141 119.600 -0.046 0.000 2.117 191 M HA 0.186 4.666 4.480 -0.000 0.000 0.262 191 M C 2.586 178.833 176.300 -0.088 0.000 1.065 191 M CA 2.441 57.715 55.300 -0.043 0.000 1.114 191 M CB -2.190 30.407 32.600 -0.005 0.000 1.361 191 M HN 0.819 nan 8.290 nan 0.000 0.408 192 A N 0.194 122.956 122.820 -0.097 0.000 1.865 192 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 192 A C 1.970 179.439 177.584 -0.191 0.000 1.191 192 A CA 1.864 53.839 52.037 -0.103 0.000 0.623 192 A CB -0.936 18.021 19.000 -0.071 0.000 0.826 192 A HN 0.794 nan 8.150 nan 0.000 0.444 193 E N -1.338 118.663 120.200 -0.331 0.000 2.150 193 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 193 E C 1.944 177.986 176.600 -0.930 0.000 0.985 193 E CA 1.376 57.423 56.400 -0.588 0.000 0.814 193 E CB -0.263 29.020 29.700 -0.695 0.000 0.752 193 E HN 0.637 nan 8.360 nan 0.000 0.466 194 M N 0.836 119.929 119.600 -0.846 0.000 2.077 194 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 194 M C 2.340 178.533 176.300 -0.179 0.000 1.070 194 M CA 1.703 56.664 55.300 -0.565 0.000 1.125 194 M CB -0.546 31.881 32.600 -0.288 0.000 1.339 194 M HN -0.051 nan 8.290 nan 0.000 0.409 195 S N -0.274 115.409 115.700 -0.029 0.000 2.359 195 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 195 S C 2.062 176.692 174.600 0.050 0.000 1.035 195 S CA 1.726 60.028 58.200 0.170 0.000 1.018 195 S CB -1.219 62.075 63.200 0.157 0.000 0.876 195 S HN 0.722 nan 8.310 nan 0.000 0.448 196 G N -0.556 108.219 108.800 -0.042 0.000 2.418 196 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 196 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 196 G C 1.319 176.215 174.900 -0.006 0.000 1.158 196 G CA 1.047 46.127 45.100 -0.033 0.000 0.771 196 G HN 0.648 nan 8.290 nan 0.000 0.545 197 Y N 1.129 121.333 120.300 -0.161 0.000 2.163 197 Y HA 0.018 4.568 4.550 -0.000 0.000 0.288 197 Y C 2.564 178.471 175.900 0.012 0.000 1.136 197 Y CA 1.238 59.303 58.100 -0.058 0.000 1.147 197 Y CB -0.292 38.117 38.460 -0.086 0.000 0.987 197 Y HN 0.103 nan 8.280 nan 0.000 0.509 198 L N -0.854 120.350 121.223 -0.032 0.000 2.042 198 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 198 L C 2.573 179.369 176.870 -0.123 0.000 1.076 198 L CA 1.568 56.349 54.840 -0.099 0.000 0.749 198 L CB -0.815 41.227 42.059 -0.028 0.000 0.893 198 L HN 0.163 nan 8.230 nan 0.000 0.432 199 S N -0.338 115.328 115.700 -0.056 0.000 2.365 199 S HA -0.208 4.262 4.470 -0.000 0.000 0.225 199 S C 2.049 176.594 174.600 -0.092 0.000 1.039 199 S CA 1.421 59.594 58.200 -0.045 0.000 1.033 199 S CB -0.230 62.959 63.200 -0.018 0.000 0.887 199 S HN 0.378 nan 8.310 nan 0.000 0.447 200 R N 0.227 120.649 120.500 -0.131 0.000 2.092 200 R HA 0.020 4.359 4.340 -0.000 0.000 0.231 200 R C 2.340 178.511 176.300 -0.214 0.000 1.119 200 R CA 0.931 56.947 56.100 -0.141 0.000 0.970 200 R CB -0.525 29.712 30.300 -0.105 0.000 0.864 200 R HN 0.274 nan 8.270 nan 0.000 0.440 201 L N 1.309 122.300 121.223 -0.387 0.000 2.046 201 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 201 L C 1.957 178.705 176.870 -0.204 0.000 1.077 201 L CA 1.641 56.246 54.840 -0.391 0.000 0.747 201 L CB -0.294 41.414 42.059 -0.585 0.000 0.896 201 L HN 0.118 nan 8.230 nan 0.000 0.432 202 I N -0.403 120.071 120.570 -0.160 0.000 2.142 202 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 202 I C 2.133 178.204 176.117 -0.076 0.000 1.078 202 I CA 1.590 62.833 61.300 -0.095 0.000 1.343 202 I CB -0.563 37.400 38.000 -0.062 0.000 1.046 202 I HN 0.313 nan 8.210 nan 0.000 0.405 203 D N 0.583 120.939 120.400 -0.074 0.000 2.123 203 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 203 D C 2.317 178.586 176.300 -0.053 0.000 0.992 203 D CA 1.928 55.896 54.000 -0.054 0.000 0.833 203 D CB -0.288 40.484 40.800 -0.046 0.000 0.954 203 D HN 0.374 nan 8.370 nan 0.000 0.455 204 S N 0.346 116.005 115.700 -0.069 0.000 2.440 204 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 204 S C 1.627 176.197 174.600 -0.050 0.000 1.010 204 S CA 0.794 58.960 58.200 -0.057 0.000 0.972 204 S CB -0.026 63.133 63.200 -0.069 0.000 0.774 204 S HN 0.073 nan 8.310 nan 0.000 0.501 205 K N 1.179 121.545 120.400 -0.057 0.000 2.186 205 K HA 0.171 4.490 4.320 -0.000 0.000 0.202 205 K C 0.648 177.226 176.600 -0.036 0.000 1.052 205 K CA 0.163 56.421 56.287 -0.048 0.000 0.965 205 K CB -0.311 32.155 32.500 -0.056 0.000 0.746 205 K HN 0.454 nan 8.250 nan 0.000 0.457 206 R N 1.348 121.828 120.500 -0.034 0.000 2.501 206 R HA 0.043 4.383 4.340 -0.000 0.000 0.319 206 R C 0.316 176.603 176.300 -0.021 0.000 0.913 206 R CA 0.832 56.917 56.100 -0.025 0.000 1.104 206 R CB -0.523 29.763 30.300 -0.023 0.000 0.901 206 R HN 0.367 nan 8.270 nan 0.000 0.407 207 G N 0.764 109.553 108.800 -0.018 0.000 2.684 207 G HA2 0.043 4.003 3.960 -0.000 0.000 0.229 207 G HA3 0.043 4.003 3.960 -0.000 0.000 0.229 207 G C -0.426 174.464 174.900 -0.017 0.000 0.927 207 G CA 0.039 45.130 45.100 -0.015 0.000 1.147 207 G HN 0.946 nan 8.290 nan 0.000 0.402 208 Q N -1.621 118.169 119.800 -0.016 0.000 2.959 208 Q HA 0.811 5.151 4.340 -0.000 0.000 0.288 208 Q C 0.026 176.016 176.000 -0.016 0.000 0.911 208 Q CA 0.924 56.717 55.803 -0.017 0.000 0.800 208 Q CB -0.433 28.292 28.738 -0.022 0.000 1.645 208 Q HN 2.167 nan 8.270 nan 0.000 0.454 209 D N -0.323 120.068 120.400 -0.015 0.000 2.460 209 D HA 0.498 5.138 4.640 -0.000 0.000 0.229 209 D C 0.894 177.184 176.300 -0.017 0.000 1.170 209 D CA 0.553 54.545 54.000 -0.014 0.000 0.827 209 D CB 0.083 40.876 40.800 -0.011 0.000 0.973 209 D HN 1.450 nan 8.370 nan 0.000 0.496 210 G N 0.016 108.803 108.800 -0.022 0.000 2.305 210 G HA2 0.279 4.239 3.960 -0.000 0.000 0.243 210 G HA3 0.279 4.239 3.960 -0.000 0.000 0.243 210 G C 0.568 175.452 174.900 -0.026 0.000 1.288 210 G CA -0.155 44.928 45.100 -0.027 0.000 0.901 210 G HN 0.471 nan 8.290 nan 0.000 0.516 211 E N 0.647 120.832 120.200 -0.025 0.000 2.479 211 E HA -0.009 4.340 4.350 -0.000 0.000 0.193 211 E C 0.666 177.249 176.600 -0.029 0.000 1.049 211 E CA -0.148 56.239 56.400 -0.021 0.000 0.870 211 E CB 0.293 29.984 29.700 -0.016 0.000 0.944 211 E HN 0.792 nan 8.360 nan 0.000 0.492 212 D N 0.554 120.928 120.400 -0.043 0.000 2.371 212 D HA -0.069 4.571 4.640 -0.000 0.000 0.242 212 D C 1.150 177.408 176.300 -0.071 0.000 1.218 212 D CA -0.356 53.608 54.000 -0.061 0.000 0.945 212 D CB 1.611 42.366 40.800 -0.074 0.000 1.137 212 D HN -0.060 nan 8.370 nan 0.000 0.464 213 L N 0.307 121.466 121.223 -0.107 0.000 2.141 213 L HA -0.101 4.239 4.340 -0.000 0.000 0.209 213 L C 2.121 178.925 176.870 -0.109 0.000 1.094 213 L CA 1.074 55.834 54.840 -0.133 0.000 0.763 213 L CB -0.789 41.110 42.059 -0.266 0.000 0.908 213 L HN 0.472 nan 8.230 nan 0.000 0.437 214 L N -1.059 120.100 121.223 -0.106 0.000 2.046 214 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 214 L C 2.515 179.348 176.870 -0.062 0.000 1.077 214 L CA 1.930 56.720 54.840 -0.083 0.000 0.747 214 L CB -0.822 41.184 42.059 -0.089 0.000 0.896 214 L HN 0.284 nan 8.230 nan 0.000 0.432 215 S N -0.480 115.185 115.700 -0.059 0.000 2.383 215 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 215 S C 2.088 176.668 174.600 -0.034 0.000 1.026 215 S CA 1.005 59.179 58.200 -0.044 0.000 0.981 215 S CB -0.512 62.663 63.200 -0.041 0.000 0.818 215 S HN 0.615 nan 8.310 nan 0.000 0.472 216 A N 1.481 124.280 122.820 -0.035 0.000 1.933 216 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 216 A C 2.071 179.646 177.584 -0.016 0.000 1.175 216 A CA 1.090 53.114 52.037 -0.021 0.000 0.628 216 A CB -0.690 18.300 19.000 -0.018 0.000 0.814 216 A HN 0.460 nan 8.150 nan 0.000 0.444 217 L N -0.507 120.702 121.223 -0.024 0.000 2.141 217 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 217 L C 2.426 179.290 176.870 -0.012 0.000 1.094 217 L CA 0.716 55.548 54.840 -0.014 0.000 0.763 217 L CB -0.486 41.561 42.059 -0.019 0.000 0.908 217 L HN 0.240 nan 8.230 nan 0.000 0.437 218 V N 0.012 119.915 119.914 -0.019 0.000 2.358 218 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 218 V C 2.517 178.604 176.094 -0.012 0.000 1.047 218 V CA 1.775 64.065 62.300 -0.017 0.000 1.035 218 V CB -0.578 31.231 31.823 -0.024 0.000 0.658 218 V HN 0.458 nan 8.190 nan 0.000 0.452 219 R N -0.754 119.740 120.500 -0.011 0.000 2.127 219 R HA 0.054 4.394 4.340 -0.000 0.000 0.217 219 R C 1.441 177.739 176.300 -0.004 0.000 1.074 219 R CA 0.503 56.598 56.100 -0.008 0.000 0.991 219 R CB -0.386 29.909 30.300 -0.008 0.000 0.895 219 R HN 0.410 nan 8.270 nan 0.000 0.450 220 T N 1.095 115.648 114.554 -0.002 0.000 2.855 220 T HA 0.078 4.428 4.350 -0.000 0.000 0.322 220 T C -0.053 174.648 174.700 0.003 0.000 1.088 220 T CA 0.213 62.314 62.100 0.003 0.000 1.104 220 T CB 0.486 69.358 68.868 0.007 0.000 0.996 220 T HN 0.375 nan 8.240 nan 0.000 0.549 221 S N 2.326 118.029 115.700 0.004 0.000 2.537 221 S HA 0.544 5.013 4.470 -0.000 0.000 0.270 221 S C -1.085 173.518 174.600 0.004 0.000 1.142 221 S CA -1.080 57.122 58.200 0.004 0.000 0.870 221 S CB 1.640 64.841 63.200 0.002 0.000 1.112 221 S HN 0.817 nan 8.310 nan 0.000 0.466 222 D N 0.987 121.389 120.400 0.003 0.000 2.469 222 D HA 0.496 5.136 4.640 -0.000 0.000 0.278 222 D C 1.516 177.817 176.300 0.002 0.000 1.231 222 D CA 0.057 54.059 54.000 0.003 0.000 1.075 222 D CB -0.435 40.365 40.800 0.001 0.000 1.121 222 D HN 0.691 nan 8.370 nan 0.000 0.571 223 E N -0.750 119.451 120.200 0.002 0.000 2.265 223 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 223 E C 1.099 177.701 176.600 0.002 0.000 0.996 223 E CA 1.472 57.873 56.400 0.002 0.000 0.832 223 E CB -0.828 28.872 29.700 0.001 0.000 0.756 223 E HN 0.511 nan 8.360 nan 0.000 0.491 224 D N -1.070 119.331 120.400 0.002 0.000 2.349 224 D HA 0.225 4.864 4.640 -0.000 0.000 0.214 224 D C 1.271 177.573 176.300 0.003 0.000 1.063 224 D CA 0.729 54.731 54.000 0.003 0.000 0.847 224 D CB 0.557 41.359 40.800 0.004 0.000 0.933 224 D HN 0.548 nan 8.370 nan 0.000 0.513 225 G N 1.464 110.265 108.800 0.003 0.000 2.155 225 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 225 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 225 G C 0.508 175.409 174.900 0.003 0.000 0.983 225 G CA 0.613 45.714 45.100 0.003 0.000 0.676 225 G HN 0.406 nan 8.290 nan 0.000 0.528 226 S N -0.423 115.280 115.700 0.003 0.000 2.592 226 S HA 0.748 5.218 4.470 -0.000 0.000 0.271 226 S C 0.725 175.328 174.600 0.004 0.000 1.326 226 S CA -0.066 58.137 58.200 0.004 0.000 1.024 226 S CB 0.600 63.803 63.200 0.005 0.000 0.921 226 S HN 0.548 nan 8.310 nan 0.000 0.527 227 R N 1.956 122.459 120.500 0.004 0.000 2.837 227 R HA 0.475 4.815 4.340 -0.000 0.000 0.271 227 R C -1.031 175.272 176.300 0.006 0.000 0.993 227 R CA -0.899 55.203 56.100 0.004 0.000 0.931 227 R CB 1.147 31.448 30.300 0.002 0.000 1.206 227 R HN 0.544 nan 8.270 nan 0.000 0.474 228 L N 1.962 123.188 121.223 0.006 0.000 2.410 228 L HA 0.170 4.510 4.340 -0.000 0.000 0.273 228 L C 1.107 177.981 176.870 0.007 0.000 1.152 228 L CA -0.120 54.726 54.840 0.009 0.000 0.855 228 L CB 0.776 42.841 42.059 0.010 0.000 1.129 228 L HN 0.781 nan 8.230 nan 0.000 0.463 229 T N -0.945 113.615 114.554 0.009 0.000 2.732 229 T HA 0.112 4.462 4.350 -0.000 0.000 0.287 229 T C 1.227 175.930 174.700 0.005 0.000 0.993 229 T CA -0.548 61.556 62.100 0.006 0.000 0.966 229 T CB 1.066 69.939 68.868 0.007 0.000 1.047 229 T HN 0.537 nan 8.240 nan 0.000 0.527 230 S N 0.604 116.304 115.700 0.001 0.000 2.368 230 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 230 S C 1.994 176.597 174.600 0.005 0.000 1.029 230 S CA 1.433 59.633 58.200 0.000 0.000 0.988 230 S CB -0.530 62.668 63.200 -0.005 0.000 0.838 230 S HN 0.831 nan 8.310 nan 0.000 0.462 231 E N 1.570 121.771 120.200 0.003 0.000 2.106 231 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 231 E C 1.940 178.548 176.600 0.013 0.000 0.984 231 E CA 1.020 57.420 56.400 0.000 0.000 0.806 231 E CB -0.218 29.477 29.700 -0.008 0.000 0.750 231 E HN 0.586 nan 8.360 nan 0.000 0.458 232 E N 0.410 120.622 120.200 0.019 0.000 2.107 232 E HA -0.072 4.277 4.350 -0.000 0.000 0.191 232 E C 2.045 178.669 176.600 0.039 0.000 0.982 232 E CA 0.522 56.941 56.400 0.031 0.000 0.809 232 E CB -0.088 29.630 29.700 0.029 0.000 0.756 232 E HN 0.203 nan 8.360 nan 0.000 0.459 233 L N 0.601 121.842 121.223 0.029 0.000 2.046 233 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 233 L C 2.485 179.386 176.870 0.051 0.000 1.077 233 L CA 0.496 55.353 54.840 0.028 0.000 0.747 233 L CB -0.252 41.813 42.059 0.010 0.000 0.896 233 L HN 0.192 nan 8.230 nan 0.000 0.432 234 L N 0.035 121.296 121.223 0.063 0.000 2.027 234 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 234 L C 2.374 179.367 176.870 0.206 0.000 1.074 234 L CA 2.158 57.077 54.840 0.130 0.000 0.745 234 L CB -1.168 40.950 42.059 0.099 0.000 0.898 234 L HN 0.138 nan 8.230 nan 0.000 0.433 235 G N -0.653 108.213 108.800 0.109 0.000 2.440 235 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 235 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 235 G C 1.517 176.503 174.900 0.143 0.000 1.154 235 G CA 1.113 46.274 45.100 0.103 0.000 0.767 235 G HN 0.321 nan 8.290 nan 0.000 0.552 236 M N 0.937 120.603 119.600 0.111 0.000 2.132 236 M HA 0.052 4.532 4.480 -0.000 0.000 0.263 236 M C 3.056 179.414 176.300 0.096 0.000 1.065 236 M CA 1.323 56.682 55.300 0.098 0.000 1.122 236 M CB -1.093 31.545 32.600 0.063 0.000 1.365 236 M HN 0.334 nan 8.290 nan 0.000 0.411 237 A N -0.703 122.171 122.820 0.090 0.000 1.883 237 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 237 A C 1.878 179.499 177.584 0.061 0.000 1.186 237 A CA 2.021 54.088 52.037 0.051 0.000 0.624 237 A CB -1.162 17.851 19.000 0.022 0.000 0.822 237 A HN 0.515 nan 8.150 nan 0.000 0.444 238 H N -1.344 117.769 119.070 0.071 0.000 2.321 238 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 238 H C 1.914 177.291 175.328 0.082 0.000 1.087 238 H CA 1.837 57.930 56.048 0.074 0.000 1.319 238 H CB -0.191 29.603 29.762 0.052 0.000 1.379 238 H HN 0.463 nan 8.280 nan 0.000 0.501 239 I N 0.273 120.969 120.570 0.211 0.000 2.226 239 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 239 I C 1.797 178.001 176.117 0.145 0.000 1.100 239 I CA 1.219 62.619 61.300 0.167 0.000 1.374 239 I CB -0.348 37.748 38.000 0.160 0.000 1.057 239 I HN 0.209 nan 8.210 nan 0.000 0.413 240 L N -0.747 120.552 121.223 0.126 0.000 2.046 240 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 240 L C 2.445 179.381 176.870 0.110 0.000 1.077 240 L CA 1.029 55.937 54.840 0.113 0.000 0.747 240 L CB -0.843 41.244 42.059 0.046 0.000 0.896 240 L HN 0.346 nan 8.230 nan 0.000 0.432 241 L N -0.444 120.841 121.223 0.102 0.000 1.976 241 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 241 L C 2.367 179.301 176.870 0.107 0.000 1.071 241 L CA 1.808 56.709 54.840 0.102 0.000 0.746 241 L CB -0.484 41.620 42.059 0.075 0.000 0.890 241 L HN -0.093 nan 8.230 nan 0.000 0.432 242 V N 0.110 120.093 119.914 0.115 0.000 2.307 242 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 242 V C 2.746 178.909 176.094 0.116 0.000 1.045 242 V CA 1.602 63.973 62.300 0.119 0.000 1.024 242 V CB -1.295 30.600 31.823 0.120 0.000 0.651 242 V HN 0.609 nan 8.190 nan 0.000 0.449 243 A N 0.187 123.079 122.820 0.121 0.000 2.014 243 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 243 A C 2.195 179.855 177.584 0.127 0.000 1.163 243 A CA 1.550 53.657 52.037 0.118 0.000 0.652 243 A CB -0.671 18.406 19.000 0.128 0.000 0.808 243 A HN 0.554 nan 8.150 nan 0.000 0.449 244 G N -2.655 106.229 108.800 0.140 0.000 2.986 244 G HA2 0.119 4.079 3.960 -0.000 0.000 0.213 244 G HA3 0.119 4.079 3.960 -0.000 0.000 0.213 244 G C 1.124 176.115 174.900 0.152 0.000 1.156 244 G CA 0.682 45.871 45.100 0.148 0.000 0.763 244 G HN 0.722 nan 8.290 nan 0.000 0.547 245 H N -0.079 118.985 119.070 -0.010 0.000 2.296 245 H HA 0.151 4.706 4.556 -0.000 0.000 0.328 245 H C 2.241 177.492 175.328 -0.128 0.000 1.162 245 H CA 0.726 56.709 56.048 -0.108 0.000 1.717 245 H CB 0.294 29.948 29.762 -0.180 0.000 1.514 245 H HN 0.281 nan 8.280 nan 0.000 0.621 246 E N 0.060 120.063 120.200 -0.327 0.000 2.065 246 E HA -0.223 4.127 4.350 -0.000 0.000 0.201 246 E C 2.180 178.721 176.600 -0.097 0.000 1.016 246 E CA 2.750 58.972 56.400 -0.296 0.000 0.818 246 E CB -0.119 29.519 29.700 -0.103 0.000 0.749 246 E HN 0.644 nan 8.360 nan 0.000 0.453 247 T N -2.090 112.456 114.554 -0.012 0.000 2.684 247 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 247 T C 2.010 176.734 174.700 0.040 0.000 1.036 247 T CA 1.985 64.105 62.100 0.033 0.000 1.148 247 T CB -1.003 67.902 68.868 0.062 0.000 0.863 247 T HN 0.102 nan 8.240 nan 0.000 0.436 248 T N 1.700 116.281 114.554 0.046 0.000 2.746 248 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 248 T C 2.155 176.878 174.700 0.037 0.000 1.039 248 T CA 1.175 63.316 62.100 0.068 0.000 1.142 248 T CB -0.685 68.237 68.868 0.091 0.000 0.866 248 T HN 0.260 nan 8.240 nan 0.000 0.444 249 V N 2.736 122.631 119.914 -0.031 0.000 2.252 249 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 249 V C 2.432 178.558 176.094 0.055 0.000 1.056 249 V CA 1.683 63.963 62.300 -0.033 0.000 1.022 249 V CB -0.577 31.129 31.823 -0.195 0.000 0.641 249 V HN 0.483 nan 8.190 nan 0.000 0.445 250 N N -0.232 118.505 118.700 0.062 0.000 2.309 250 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 250 N C 1.628 177.198 175.510 0.100 0.000 1.018 250 N CA 1.097 54.207 53.050 0.101 0.000 0.876 250 N CB -0.317 38.242 38.487 0.121 0.000 0.972 250 N HN 0.428 nan 8.380 nan 0.000 0.434 251 L N 1.171 122.441 121.223 0.078 0.000 2.027 251 L HA 0.040 4.380 4.340 -0.000 0.000 0.206 251 L C 1.942 178.864 176.870 0.087 0.000 1.074 251 L CA 1.265 56.149 54.840 0.073 0.000 0.745 251 L CB -0.528 41.563 42.059 0.053 0.000 0.898 251 L HN 0.018 nan 8.230 nan 0.000 0.433 252 I N -0.213 120.408 120.570 0.084 0.000 2.226 252 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 252 I C 2.570 178.741 176.117 0.090 0.000 1.100 252 I CA 1.208 62.559 61.300 0.086 0.000 1.374 252 I CB -0.656 37.392 38.000 0.080 0.000 1.057 252 I HN 0.399 nan 8.210 nan 0.000 0.413 253 A N 1.054 123.928 122.820 0.089 0.000 1.854 253 A HA -0.177 4.142 4.320 -0.000 0.000 0.214 253 A C 2.052 179.698 177.584 0.104 0.000 1.192 253 A CA 1.790 53.872 52.037 0.075 0.000 0.611 253 A CB -0.664 18.364 19.000 0.047 0.000 0.832 253 A HN 0.371 nan 8.150 nan 0.000 0.442 254 N N 0.437 119.218 118.700 0.134 0.000 2.166 254 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 254 N C 1.774 177.407 175.510 0.206 0.000 1.019 254 N CA 1.504 54.700 53.050 0.244 0.000 0.856 254 N CB -0.856 37.796 38.487 0.276 0.000 0.993 254 N HN 0.476 nan 8.380 nan 0.000 0.426 255 G N 0.868 109.748 108.800 0.133 0.000 2.421 255 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 255 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 255 G C 1.434 176.363 174.900 0.049 0.000 1.171 255 G CA 0.578 45.731 45.100 0.088 0.000 0.775 255 G HN 0.124 nan 8.290 nan 0.000 0.543 256 M N -0.385 119.267 119.600 0.085 0.000 2.229 256 M HA 0.059 4.538 4.480 -0.000 0.000 0.264 256 M C 2.284 178.636 176.300 0.086 0.000 1.063 256 M CA 0.490 55.838 55.300 0.080 0.000 1.114 256 M CB -1.053 31.602 32.600 0.091 0.000 1.387 256 M HN 0.436 nan 8.290 nan 0.000 0.420 257 Y N 1.290 121.585 120.300 -0.008 0.000 2.200 257 Y HA -0.067 4.483 4.550 -0.000 0.000 0.290 257 Y C 2.277 178.161 175.900 -0.027 0.000 1.137 257 Y CA 1.595 59.689 58.100 -0.011 0.000 1.163 257 Y CB -0.707 37.750 38.460 -0.006 0.000 0.988 257 Y HN 0.146 nan 8.280 nan 0.000 0.518 258 A N 0.555 123.128 122.820 -0.411 0.000 1.858 258 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 258 A C 2.249 179.461 177.584 -0.620 0.000 1.190 258 A CA 1.858 53.447 52.037 -0.747 0.000 0.617 258 A CB -1.344 17.015 19.000 -1.069 0.000 0.827 258 A HN 0.517 nan 8.150 nan 0.000 0.443 259 L N -0.224 120.786 121.223 -0.355 0.000 2.017 259 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 259 L C 2.217 179.098 176.870 0.018 0.000 1.073 259 L CA 1.685 56.517 54.840 -0.013 0.000 0.745 259 L CB -0.459 41.654 42.059 0.091 0.000 0.894 259 L HN 0.412 nan 8.230 nan 0.000 0.432 260 L N -0.983 120.232 121.223 -0.014 0.000 2.465 260 L HA -0.049 4.290 4.340 -0.000 0.000 0.224 260 L C 1.905 178.755 176.870 -0.033 0.000 1.145 260 L CA 0.948 55.797 54.840 0.014 0.000 0.834 260 L CB -0.537 41.557 42.059 0.058 0.000 0.944 260 L HN 0.446 nan 8.230 nan 0.000 0.451 261 S N -3.051 112.558 115.700 -0.152 0.000 2.540 261 S HA 0.095 4.564 4.470 -0.000 0.000 0.218 261 S C 0.606 174.932 174.600 -0.457 0.000 0.977 261 S CA -0.384 57.650 58.200 -0.276 0.000 0.918 261 S CB -0.014 62.932 63.200 -0.424 0.000 0.806 261 S HN 0.338 nan 8.310 nan 0.000 0.496 262 H N 2.116 121.133 119.070 -0.088 0.000 2.423 262 H HA 0.284 4.840 4.556 -0.000 0.000 0.237 262 H C -2.109 173.232 175.328 0.022 0.000 1.391 262 H CA -1.542 54.496 56.048 -0.016 0.000 1.453 262 H CB 1.205 30.998 29.762 0.052 0.000 1.484 262 H HN 0.230 nan 8.280 nan 0.000 0.505 263 P HA -0.223 nan 4.420 nan 0.000 0.218 263 P C 0.894 178.234 177.300 0.067 0.000 1.154 263 P CA 1.280 64.415 63.100 0.058 0.000 0.872 263 P CB 0.633 32.351 31.700 0.029 0.000 0.790 264 D N -0.643 119.801 120.400 0.072 0.000 2.144 264 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 264 D C 2.246 178.573 176.300 0.044 0.000 0.984 264 D CA 1.008 55.037 54.000 0.049 0.000 0.834 264 D CB -0.405 40.419 40.800 0.039 0.000 0.955 264 D HN 0.222 nan 8.370 nan 0.000 0.465 265 Q N 0.205 120.052 119.800 0.077 0.000 2.083 265 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 265 Q C 2.383 178.425 176.000 0.070 0.000 0.969 265 Q CA 0.306 56.137 55.803 0.046 0.000 0.838 265 Q CB -0.591 28.198 28.738 0.085 0.000 0.900 265 Q HN 0.282 nan 8.270 nan 0.000 0.436 266 L N 0.894 122.181 121.223 0.106 0.000 2.042 266 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 266 L C 2.119 179.021 176.870 0.053 0.000 1.076 266 L CA 2.203 57.094 54.840 0.086 0.000 0.749 266 L CB -0.876 41.231 42.059 0.081 0.000 0.893 266 L HN 0.125 nan 8.230 nan 0.000 0.432 267 A N -0.442 122.404 122.820 0.043 0.000 1.902 267 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 267 A C 2.473 180.068 177.584 0.019 0.000 1.181 267 A CA 1.799 53.854 52.037 0.029 0.000 0.623 267 A CB -1.235 17.780 19.000 0.025 0.000 0.818 267 A HN 0.601 nan 8.150 nan 0.000 0.443 268 A N -0.455 122.372 122.820 0.011 0.000 1.908 268 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 268 A C 2.151 179.733 177.584 -0.003 0.000 1.181 268 A CA 1.873 53.907 52.037 -0.004 0.000 0.627 268 A CB -0.636 18.350 19.000 -0.023 0.000 0.818 268 A HN 0.719 nan 8.150 nan 0.000 0.445 269 L N -0.310 120.916 121.223 0.005 0.000 2.056 269 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 269 L C 2.396 179.275 176.870 0.016 0.000 1.078 269 L CA 1.822 56.667 54.840 0.009 0.000 0.749 269 L CB -0.596 41.477 42.059 0.024 0.000 0.901 269 L HN 0.334 nan 8.230 nan 0.000 0.433 270 R N -0.633 119.881 120.500 0.022 0.000 2.120 270 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 270 R C 2.161 178.470 176.300 0.015 0.000 1.123 270 R CA 1.195 57.308 56.100 0.022 0.000 0.975 270 R CB -0.501 29.815 30.300 0.026 0.000 0.866 270 R HN 0.534 nan 8.270 nan 0.000 0.446 271 A N 0.441 123.267 122.820 0.011 0.000 1.930 271 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 271 A C 0.574 178.161 177.584 0.005 0.000 1.176 271 A CA 0.946 52.988 52.037 0.008 0.000 0.632 271 A CB 0.237 19.240 19.000 0.005 0.000 0.819 271 A HN 0.157 nan 8.150 nan 0.000 0.445 272 D N -1.688 118.713 120.400 0.003 0.000 2.346 272 D HA 0.389 5.028 4.640 -0.000 0.000 0.255 272 D C 0.230 176.531 176.300 0.002 0.000 1.276 272 D CA -0.419 53.582 54.000 0.001 0.000 0.941 272 D CB 0.751 41.548 40.800 -0.005 0.000 1.199 272 D HN 0.003 nan 8.370 nan 0.000 0.537 273 M N 1.579 121.183 119.600 0.006 0.000 2.632 273 M HA -0.052 4.427 4.480 -0.000 0.000 0.256 273 M C 1.789 178.094 176.300 0.009 0.000 1.080 273 M CA 1.144 56.450 55.300 0.010 0.000 1.084 273 M CB -0.135 32.472 32.600 0.013 0.000 1.439 273 M HN 0.426 nan 8.290 nan 0.000 0.509 274 T N -2.983 111.574 114.554 0.005 0.000 3.072 274 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 274 T C 1.477 176.179 174.700 0.003 0.000 1.127 274 T CA 0.696 62.799 62.100 0.005 0.000 1.107 274 T CB -0.579 68.290 68.868 0.003 0.000 0.910 274 T HN 0.464 nan 8.240 nan 0.000 0.513 275 L N -0.077 121.144 121.223 -0.003 0.000 2.599 275 L HA 0.248 4.588 4.340 -0.000 0.000 0.230 275 L C 2.220 179.087 176.870 -0.006 0.000 1.141 275 L CA -0.078 54.755 54.840 -0.012 0.000 0.877 275 L CB -0.534 41.510 42.059 -0.025 0.000 1.009 275 L HN 0.234 nan 8.230 nan 0.000 0.447 276 L N 0.539 121.768 121.223 0.009 0.000 1.963 276 L HA -0.289 4.051 4.340 -0.000 0.000 0.220 276 L C 2.002 178.889 176.870 0.029 0.000 1.076 276 L CA 2.130 56.984 54.840 0.022 0.000 0.772 276 L CB -0.524 41.552 42.059 0.029 0.000 0.892 276 L HN 0.216 nan 8.230 nan 0.000 0.435 277 D N -0.361 120.058 120.400 0.032 0.000 2.133 277 D HA -0.167 4.472 4.640 -0.000 0.000 0.195 277 D C 2.098 178.422 176.300 0.041 0.000 0.997 277 D CA 1.505 55.532 54.000 0.045 0.000 0.840 277 D CB -0.707 40.120 40.800 0.045 0.000 0.947 277 D HN 0.578 nan 8.370 nan 0.000 0.452 278 G N 0.421 109.230 108.800 0.016 0.000 2.422 278 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.218 278 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.218 278 G C 1.701 176.579 174.900 -0.037 0.000 1.140 278 G CA 1.026 46.123 45.100 -0.005 0.000 0.775 278 G HN 0.402 nan 8.290 nan 0.000 0.545 279 A N 0.259 123.057 122.820 -0.035 0.000 1.902 279 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 279 A C 2.577 180.176 177.584 0.025 0.000 1.181 279 A CA 1.774 53.784 52.037 -0.045 0.000 0.623 279 A CB -0.625 18.377 19.000 0.003 0.000 0.818 279 A HN 0.241 nan 8.150 nan 0.000 0.443 280 V N 0.283 120.228 119.914 0.051 0.000 2.427 280 V HA -0.186 3.933 4.120 -0.000 0.000 0.248 280 V C 2.517 178.638 176.094 0.045 0.000 1.051 280 V CA 2.023 64.368 62.300 0.074 0.000 1.048 280 V CB -0.667 31.210 31.823 0.091 0.000 0.666 280 V HN 0.500 nan 8.190 nan 0.000 0.456 281 E N 0.004 120.228 120.200 0.040 0.000 2.153 281 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 281 E C 2.193 178.723 176.600 -0.116 0.000 0.988 281 E CA 1.297 57.706 56.400 0.016 0.000 0.811 281 E CB -0.130 29.635 29.700 0.107 0.000 0.746 281 E HN 0.691 nan 8.360 nan 0.000 0.466 282 E N 0.427 120.574 120.200 -0.089 0.000 2.152 282 E HA -0.052 4.297 4.350 -0.000 0.000 0.192 282 E C 1.992 178.621 176.600 0.049 0.000 0.983 282 E CA 0.736 57.059 56.400 -0.128 0.000 0.818 282 E CB -0.097 29.415 29.700 -0.313 0.000 0.758 282 E HN 0.175 nan 8.360 nan 0.000 0.467 283 M N -0.329 119.358 119.600 0.144 0.000 2.117 283 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 283 M C 2.090 178.405 176.300 0.026 0.000 1.065 283 M CA 1.243 56.671 55.300 0.213 0.000 1.114 283 M CB -0.239 32.459 32.600 0.163 0.000 1.361 283 M HN 0.161 nan 8.290 nan 0.000 0.408 284 L N -0.742 120.390 121.223 -0.152 0.000 2.017 284 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 284 L C 2.850 179.410 176.870 -0.515 0.000 1.073 284 L CA 1.102 55.724 54.840 -0.365 0.000 0.745 284 L CB -0.644 41.062 42.059 -0.587 0.000 0.894 284 L HN 0.276 nan 8.230 nan 0.000 0.432 285 R N -0.451 119.682 120.500 -0.612 0.000 2.062 285 R HA -0.223 4.116 4.340 -0.000 0.000 0.231 285 R C 2.358 178.411 176.300 -0.412 0.000 1.136 285 R CA 1.938 57.572 56.100 -0.777 0.000 0.948 285 R CB -0.782 29.129 30.300 -0.649 0.000 0.845 285 R HN 0.287 nan 8.270 nan 0.000 0.430 286 Y N 0.941 121.086 120.300 -0.258 0.000 2.133 286 Y HA -0.077 4.473 4.550 -0.000 0.000 0.287 286 Y C 0.527 176.410 175.900 -0.028 0.000 1.134 286 Y CA 1.564 59.604 58.100 -0.101 0.000 1.133 286 Y CB 0.353 38.871 38.460 0.097 0.000 0.987 286 Y HN 0.042 nan 8.280 nan 0.000 0.502 287 E N 0.652 120.852 120.200 -0.001 0.000 4.139 287 E HA 0.225 4.575 4.350 -0.000 0.000 0.227 287 E C -0.214 176.434 176.600 0.080 0.000 1.187 287 E CA 0.021 56.424 56.400 0.004 0.000 1.324 287 E CB 0.310 30.057 29.700 0.079 0.000 1.207 287 E HN 0.428 nan 8.360 nan 0.000 0.422 288 G N 1.621 110.439 108.800 0.030 0.000 2.614 288 G HA2 0.096 4.056 3.960 -0.000 0.000 0.239 288 G HA3 0.096 4.056 3.960 -0.000 0.000 0.239 288 G C -1.590 173.344 174.900 0.056 0.000 1.240 288 G CA -0.749 44.347 45.100 -0.005 0.000 0.842 288 G HN 0.034 nan 8.290 nan 0.000 0.584 289 P HA -0.048 nan 4.420 nan 0.000 0.217 289 P C 0.550 177.890 177.300 0.065 0.000 1.150 289 P CA 0.479 63.620 63.100 0.069 0.000 0.832 289 P CB 0.125 31.851 31.700 0.042 0.000 0.787 290 V N 1.295 121.232 119.914 0.038 0.000 2.389 290 V HA 0.079 4.199 4.120 -0.000 0.000 0.264 290 V C 1.677 177.791 176.094 0.033 0.000 1.049 290 V CA 0.160 62.481 62.300 0.037 0.000 0.932 290 V CB 0.550 32.388 31.823 0.025 0.000 1.011 290 V HN 0.071 nan 8.190 nan 0.000 0.475 291 E N 3.328 123.545 120.200 0.028 0.000 2.086 291 E HA 0.009 4.358 4.350 -0.000 0.000 0.190 291 E C 0.606 177.175 176.600 -0.050 0.000 0.975 291 E CA 0.581 56.980 56.400 -0.003 0.000 0.813 291 E CB 0.395 30.099 29.700 0.007 0.000 0.768 291 E HN 0.645 nan 8.360 nan 0.000 0.457 292 S N -0.298 115.393 115.700 -0.015 0.000 2.538 292 S HA 0.625 5.095 4.470 -0.000 0.000 0.288 292 S C -0.745 173.857 174.600 0.003 0.000 1.108 292 S CA -0.591 57.592 58.200 -0.029 0.000 0.971 292 S CB 1.740 64.948 63.200 0.013 0.000 1.041 292 S HN 0.435 nan 8.310 nan 0.000 0.483 293 A N 2.295 125.102 122.820 -0.022 0.000 2.366 293 A HA 0.539 4.859 4.320 -0.000 0.000 0.250 293 A C 0.887 178.478 177.584 0.013 0.000 1.099 293 A CA -0.168 51.861 52.037 -0.014 0.000 0.794 293 A CB -0.398 18.575 19.000 -0.045 0.000 1.056 293 A HN 0.870 nan 8.150 nan 0.000 0.499 294 T N -1.333 113.213 114.554 -0.013 0.000 2.856 294 T HA 0.332 4.682 4.350 -0.000 0.000 0.306 294 T C -0.094 174.610 174.700 0.007 0.000 1.062 294 T CA -0.239 61.852 62.100 -0.015 0.000 1.083 294 T CB -0.071 68.754 68.868 -0.071 0.000 0.984 294 T HN 0.306 nan 8.240 nan 0.000 0.542 295 Y N 1.500 121.656 120.300 -0.240 0.000 2.895 295 Y HA 0.187 4.737 4.550 -0.000 0.000 0.334 295 Y C 1.339 176.724 175.900 -0.859 0.000 1.261 295 Y CA -0.236 57.564 58.100 -0.499 0.000 1.560 295 Y CB -0.258 37.896 38.460 -0.509 0.000 1.253 295 Y HN 0.567 nan 8.280 nan 0.000 0.582 296 R N 3.062 123.110 120.500 -0.753 0.000 2.686 296 R HA 0.598 4.938 4.340 -0.000 0.000 0.286 296 R C -1.700 174.107 176.300 -0.822 0.000 0.969 296 R CA -0.827 54.852 56.100 -0.701 0.000 0.898 296 R CB 1.563 31.726 30.300 -0.229 0.000 1.183 296 R HN 0.423 nan 8.270 nan 0.000 0.456 297 F N 2.896 122.818 119.950 -0.046 0.000 2.499 297 F HA 0.366 4.893 4.527 -0.000 0.000 0.333 297 F C -1.991 173.729 175.800 -0.134 0.000 1.138 297 F CA -2.574 55.373 58.000 -0.088 0.000 0.945 297 F CB 1.716 40.623 39.000 -0.155 0.000 1.181 297 F HN 0.217 nan 8.300 nan 0.000 0.435 298 P HA -0.008 nan 4.420 nan 0.000 0.267 298 P C 0.855 178.030 177.300 -0.208 0.000 1.205 298 P CA 0.009 62.857 63.100 -0.421 0.000 0.765 298 P CB 1.755 33.068 31.700 -0.647 0.000 0.828 299 V N 1.064 120.859 119.914 -0.199 0.000 2.667 299 V HA -0.046 4.074 4.120 -0.000 0.000 0.252 299 V C 0.782 176.803 176.094 -0.122 0.000 1.065 299 V CA 1.163 63.395 62.300 -0.113 0.000 1.083 299 V CB -1.196 30.577 31.823 -0.083 0.000 0.692 299 V HN 0.666 nan 8.190 nan 0.000 0.468 300 E N -0.239 119.855 120.200 -0.177 0.000 2.416 300 E HA 0.568 4.918 4.350 -0.000 0.000 0.273 300 E C -3.267 173.215 176.600 -0.197 0.000 0.935 300 E CA -2.908 53.401 56.400 -0.150 0.000 0.784 300 E CB 1.460 31.085 29.700 -0.125 0.000 1.301 300 E HN 0.042 nan 8.360 nan 0.000 0.454 301 P HA 0.022 nan 4.420 nan 0.000 0.264 301 P C -0.938 176.242 177.300 -0.200 0.000 1.193 301 P CA -0.048 62.949 63.100 -0.171 0.000 0.763 301 P CB 0.576 32.208 31.700 -0.115 0.000 0.810 302 V N 3.805 123.568 119.914 -0.251 0.000 2.448 302 V HA 0.258 4.378 4.120 -0.000 0.000 0.295 302 V C -0.005 175.991 176.094 -0.164 0.000 1.025 302 V CA -0.459 61.711 62.300 -0.217 0.000 0.859 302 V CB 1.945 33.588 31.823 -0.300 0.000 0.988 302 V HN 0.492 nan 8.190 nan 0.000 0.431 303 D N 4.908 125.244 120.400 -0.105 0.000 2.274 303 D HA 0.369 5.009 4.640 -0.000 0.000 0.239 303 D C -0.805 175.459 176.300 -0.059 0.000 1.104 303 D CA -0.218 53.730 54.000 -0.087 0.000 0.840 303 D CB 1.421 42.184 40.800 -0.062 0.000 1.100 303 D HN 0.418 nan 8.370 nan 0.000 0.477 304 L N 4.082 125.262 121.223 -0.072 0.000 2.335 304 L HA 0.165 4.505 4.340 -0.000 0.000 0.268 304 L C 0.145 176.990 176.870 -0.042 0.000 1.037 304 L CA -0.620 54.191 54.840 -0.049 0.000 0.895 304 L CB 0.746 42.768 42.059 -0.062 0.000 1.266 304 L HN 0.475 nan 8.230 nan 0.000 0.439 305 D N 2.969 123.354 120.400 -0.025 0.000 2.689 305 D HA -0.194 4.445 4.640 -0.000 0.000 0.237 305 D C 1.092 177.383 176.300 -0.015 0.000 1.148 305 D CA 1.459 55.450 54.000 -0.015 0.000 0.656 305 D CB -0.596 40.199 40.800 -0.007 0.000 1.050 305 D HN 0.993 nan 8.370 nan 0.000 0.426 306 G N -1.335 107.453 108.800 -0.020 0.000 2.258 306 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.233 306 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.233 306 G C 0.509 175.398 174.900 -0.019 0.000 1.006 306 G CA 0.305 45.397 45.100 -0.014 0.000 0.620 306 G HN 0.778 nan 8.290 nan 0.000 0.511 307 T N 1.731 116.264 114.554 -0.035 0.000 2.743 307 T HA 0.551 4.900 4.350 -0.000 0.000 0.293 307 T C 0.119 174.745 174.700 -0.123 0.000 0.945 307 T CA -0.182 61.891 62.100 -0.044 0.000 1.030 307 T CB 2.298 71.146 68.868 -0.034 0.000 0.912 307 T HN 0.486 nan 8.240 nan 0.000 0.483 308 V N 5.647 125.487 119.914 -0.123 0.000 2.350 308 V HA 0.374 4.494 4.120 -0.000 0.000 0.276 308 V C 0.257 176.132 176.094 -0.365 0.000 1.028 308 V CA -0.754 61.431 62.300 -0.191 0.000 0.860 308 V CB 0.907 32.669 31.823 -0.102 0.000 0.990 308 V HN 0.810 nan 8.190 nan 0.000 0.453 309 I N 8.495 128.735 120.570 -0.551 0.000 2.301 309 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 309 I C -1.835 174.040 176.117 -0.404 0.000 1.046 309 I CA -1.830 58.951 61.300 -0.865 0.000 1.282 309 I CB 1.579 38.963 38.000 -1.028 0.000 1.409 309 I HN 0.420 nan 8.210 nan 0.000 0.484 310 P HA -0.004 nan 4.420 nan 0.000 0.268 310 P C -0.344 176.900 177.300 -0.093 0.000 1.208 310 P CA -0.276 62.776 63.100 -0.079 0.000 0.777 310 P CB 0.683 32.404 31.700 0.036 0.000 0.875 311 A N 1.762 124.530 122.820 -0.086 0.000 2.511 311 A HA 0.440 4.760 4.320 -0.000 0.000 0.242 311 A C 1.509 179.077 177.584 -0.026 0.000 1.069 311 A CA 0.729 52.715 52.037 -0.086 0.000 0.763 311 A CB -1.247 17.703 19.000 -0.083 0.000 1.001 311 A HN 0.884 nan 8.150 nan 0.000 0.498 312 G N 1.894 110.692 108.800 -0.004 0.000 2.234 312 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.235 312 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.235 312 G C 0.043 175.008 174.900 0.110 0.000 0.997 312 G CA 0.375 45.491 45.100 0.027 0.000 0.623 312 G HN 0.829 nan 8.290 nan 0.000 0.514 313 D N 1.302 121.786 120.400 0.139 0.000 2.368 313 D HA 0.505 5.145 4.640 -0.000 0.000 0.240 313 D C 0.703 177.185 176.300 0.302 0.000 1.169 313 D CA 0.654 54.797 54.000 0.239 0.000 0.906 313 D CB 0.722 41.723 40.800 0.335 0.000 1.187 313 D HN 0.090 nan 8.370 nan 0.000 0.435 314 T N 0.930 115.650 114.554 0.277 0.000 2.780 314 T HA 0.399 4.749 4.350 -0.000 0.000 0.294 314 T C -0.190 174.526 174.700 0.027 0.000 0.949 314 T CA -0.495 61.652 62.100 0.079 0.000 1.074 314 T CB 0.661 69.460 68.868 -0.116 0.000 0.910 314 T HN -0.032 nan 8.240 nan 0.000 0.501 315 V N 5.044 124.889 119.914 -0.115 0.000 2.487 315 V HA 0.445 4.565 4.120 -0.000 0.000 0.298 315 V C -0.776 175.239 176.094 -0.133 0.000 1.028 315 V CA -0.921 61.366 62.300 -0.022 0.000 0.860 315 V CB 1.612 33.466 31.823 0.052 0.000 0.991 315 V HN 0.612 nan 8.190 nan 0.000 0.427 316 L N 5.522 126.705 121.223 -0.067 0.000 2.298 316 L HA 0.501 4.841 4.340 -0.000 0.000 0.284 316 L C -0.068 176.754 176.870 -0.080 0.000 1.013 316 L CA -0.157 54.648 54.840 -0.058 0.000 0.824 316 L CB 1.762 43.816 42.059 -0.007 0.000 1.221 316 L HN 0.398 nan 8.230 nan 0.000 0.418 317 V N 4.595 124.437 119.914 -0.119 0.000 2.405 317 V HA 0.132 4.252 4.120 -0.000 0.000 0.264 317 V C 0.341 176.344 176.094 -0.151 0.000 1.048 317 V CA -0.591 61.617 62.300 -0.154 0.000 0.966 317 V CB 1.239 32.955 31.823 -0.179 0.000 1.015 317 V HN 0.429 nan 8.190 nan 0.000 0.477 318 V N 7.606 127.403 119.914 -0.196 0.000 2.229 318 V HA 0.082 4.202 4.120 -0.000 0.000 0.245 318 V C 1.477 177.408 176.094 -0.273 0.000 1.243 318 V CA 0.074 62.196 62.300 -0.297 0.000 1.176 318 V CB -0.251 31.252 31.823 -0.533 0.000 1.323 318 V HN 0.777 nan 8.190 nan 0.000 0.499 319 L N 2.838 123.928 121.223 -0.222 0.000 2.079 319 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 319 L C 2.686 179.351 176.870 -0.343 0.000 1.081 319 L CA 1.764 56.427 54.840 -0.295 0.000 0.752 319 L CB -0.694 41.258 42.059 -0.177 0.000 0.896 319 L HN 0.658 nan 8.230 nan 0.000 0.433 320 A N 0.355 123.085 122.820 -0.150 0.000 1.908 320 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 320 A C 2.007 179.682 177.584 0.151 0.000 1.181 320 A CA 2.339 54.413 52.037 0.063 0.000 0.627 320 A CB -0.680 18.347 19.000 0.044 0.000 0.818 320 A HN 0.482 nan 8.150 nan 0.000 0.445 321 D N -0.828 119.561 120.400 -0.019 0.000 2.183 321 D HA 0.087 4.727 4.640 -0.000 0.000 0.203 321 D C 2.010 178.375 176.300 0.108 0.000 0.969 321 D CA 1.224 55.288 54.000 0.107 0.000 0.842 321 D CB -0.162 40.636 40.800 -0.003 0.000 0.957 321 D HN 0.336 nan 8.370 nan 0.000 0.484 322 A N 0.004 122.819 122.820 -0.009 0.000 1.908 322 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 322 A C 1.795 179.571 177.584 0.319 0.000 1.181 322 A CA 1.572 53.664 52.037 0.093 0.000 0.627 322 A CB -0.948 17.983 19.000 -0.116 0.000 0.818 322 A HN 0.403 nan 8.150 nan 0.000 0.445 323 H N -0.865 118.350 119.070 0.241 0.000 2.546 323 H HA 0.090 4.646 4.556 -0.000 0.000 0.277 323 H C 0.943 176.295 175.328 0.039 0.000 1.004 323 H CA 0.842 56.929 56.048 0.064 0.000 1.231 323 H CB 0.124 29.820 29.762 -0.111 0.000 1.382 323 H HN 0.285 nan 8.280 nan 0.000 0.580 324 R N 0.408 121.042 120.500 0.224 0.000 2.546 324 R HA 0.150 4.489 4.340 -0.000 0.000 0.320 324 R C 0.033 176.414 176.300 0.134 0.000 1.021 324 R CA -0.090 56.074 56.100 0.107 0.000 1.088 324 R CB -0.330 30.041 30.300 0.119 0.000 1.278 324 R HN -0.003 nan 8.270 nan 0.000 0.557 325 T N 3.244 117.940 114.554 0.237 0.000 2.738 325 T HA 0.121 4.471 4.350 -0.000 0.000 0.293 325 T C -1.662 173.104 174.700 0.110 0.000 0.913 325 T CA -1.231 60.976 62.100 0.178 0.000 1.103 325 T CB 1.489 70.493 68.868 0.227 0.000 0.880 325 T HN -0.031 nan 8.240 nan 0.000 0.526 326 P HA -0.167 nan 4.420 nan 0.000 0.215 326 P C 1.314 178.598 177.300 -0.026 0.000 1.163 326 P CA 1.134 64.237 63.100 0.004 0.000 0.894 326 P CB 0.213 31.916 31.700 0.005 0.000 0.791 327 E N -1.310 118.872 120.200 -0.030 0.000 2.219 327 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 327 E C 2.097 178.593 176.600 -0.174 0.000 0.998 327 E CA 1.159 57.516 56.400 -0.071 0.000 0.818 327 E CB -0.419 29.257 29.700 -0.039 0.000 0.741 327 E HN 0.097 nan 8.360 nan 0.000 0.477 328 R N -0.664 119.680 120.500 -0.260 0.000 2.087 328 R HA 0.160 4.500 4.340 -0.000 0.000 0.216 328 R C -0.295 175.514 176.300 -0.818 0.000 1.114 328 R CA 0.716 56.426 56.100 -0.650 0.000 1.002 328 R CB 0.293 30.016 30.300 -0.963 0.000 0.903 328 R HN 0.060 nan 8.270 nan 0.000 0.445 329 F N 3.065 122.939 119.950 -0.127 0.000 2.434 329 F HA 0.451 4.978 4.527 -0.000 0.000 0.367 329 F C -2.069 173.678 175.800 -0.089 0.000 1.093 329 F CA -2.795 55.147 58.000 -0.097 0.000 1.085 329 F CB 1.675 40.635 39.000 -0.067 0.000 1.322 329 F HN -0.017 nan 8.300 nan 0.000 0.452 330 P HA -0.070 nan 4.420 nan 0.000 0.266 330 P C -0.021 177.280 177.300 0.002 0.000 1.195 330 P CA 0.408 63.507 63.100 -0.002 0.000 0.768 330 P CB 0.865 32.552 31.700 -0.021 0.000 0.838 331 D N 2.710 123.097 120.400 -0.021 0.000 2.697 331 D HA -0.140 4.500 4.640 -0.000 0.000 0.238 331 D C -0.996 175.271 176.300 -0.056 0.000 1.152 331 D CA 0.497 54.480 54.000 -0.028 0.000 0.666 331 D CB -0.702 40.094 40.800 -0.006 0.000 1.037 331 D HN 0.320 nan 8.370 nan 0.000 0.423 332 P HA -0.212 nan 4.420 nan 0.000 0.217 332 P C 0.954 178.151 177.300 -0.171 0.000 1.148 332 P CA 1.388 64.382 63.100 -0.176 0.000 0.828 332 P CB -0.064 31.474 31.700 -0.271 0.000 0.783 333 H N -1.266 117.837 119.070 0.055 0.000 2.547 333 H HA 0.142 4.698 4.556 -0.000 0.000 0.266 333 H C 1.153 176.586 175.328 0.175 0.000 0.988 333 H CA 0.185 56.285 56.048 0.087 0.000 1.147 333 H CB -0.243 29.546 29.762 0.045 0.000 1.365 333 H HN 0.215 nan 8.280 nan 0.000 0.589 334 R N 0.810 121.395 120.500 0.140 0.000 2.265 334 R HA 0.104 4.444 4.340 -0.000 0.000 0.319 334 R C -1.057 175.156 176.300 -0.145 0.000 1.006 334 R CA -0.674 55.441 56.100 0.024 0.000 0.880 334 R CB 0.266 30.560 30.300 -0.010 0.000 1.077 334 R HN -0.097 nan 8.270 nan 0.000 0.454 335 F N 5.120 124.675 119.950 -0.659 0.000 2.434 335 F HA 0.202 4.729 4.527 -0.000 0.000 0.358 335 F C -0.749 174.716 175.800 -0.558 0.000 1.136 335 F CA -0.502 56.902 58.000 -0.993 0.000 1.157 335 F CB 0.586 38.519 39.000 -1.778 0.000 1.167 335 F HN 0.476 nan 8.300 nan 0.000 0.539 336 D N 7.164 127.113 120.400 -0.752 0.000 2.440 336 D HA 0.128 4.768 4.640 -0.000 0.000 0.252 336 D C 1.130 177.063 176.300 -0.612 0.000 1.180 336 D CA -0.369 53.292 54.000 -0.565 0.000 0.894 336 D CB 0.686 41.312 40.800 -0.290 0.000 1.111 336 D HN 0.645 nan 8.370 nan 0.000 0.544 337 I N 0.564 120.723 120.570 -0.684 0.000 2.850 337 I HA -0.029 4.140 4.170 -0.000 0.000 0.266 337 I C 1.112 177.076 176.117 -0.255 0.000 1.257 337 I CA 0.617 61.626 61.300 -0.484 0.000 1.465 337 I CB 0.094 37.871 38.000 -0.372 0.000 1.091 337 I HN 0.028 nan 8.210 nan 0.000 0.467 338 R N 1.353 121.725 120.500 -0.214 0.000 2.432 338 R HA 0.248 4.588 4.340 -0.000 0.000 0.260 338 R C 0.833 177.072 176.300 -0.101 0.000 0.935 338 R CA -0.387 55.638 56.100 -0.126 0.000 1.080 338 R CB 0.117 30.357 30.300 -0.100 0.000 1.155 338 R HN 0.408 nan 8.270 nan 0.000 0.531 339 R N 1.700 122.125 120.500 -0.125 0.000 2.774 339 R HA -0.028 4.312 4.340 -0.000 0.000 0.269 339 R C -0.516 175.774 176.300 -0.017 0.000 1.068 339 R CA -0.079 55.979 56.100 -0.071 0.000 1.180 339 R CB 0.509 30.757 30.300 -0.087 0.000 1.077 339 R HN -0.197 nan 8.270 nan 0.000 0.513 340 D N 1.359 121.773 120.400 0.024 0.000 2.336 340 D HA 0.016 4.655 4.640 -0.000 0.000 0.249 340 D C 0.257 176.647 176.300 0.151 0.000 1.213 340 D CA -0.001 54.031 54.000 0.052 0.000 0.870 340 D CB 1.186 41.998 40.800 0.019 0.000 1.076 340 D HN 0.606 nan 8.370 nan 0.000 0.483 341 T N 0.727 115.380 114.554 0.165 0.000 3.092 341 T HA 0.424 4.774 4.350 -0.000 0.000 0.258 341 T C 0.849 175.761 174.700 0.354 0.000 1.031 341 T CA -0.303 61.970 62.100 0.289 0.000 0.925 341 T CB 0.108 69.090 68.868 0.190 0.000 1.036 341 T HN 0.386 nan 8.240 nan 0.000 0.544 342 A N 0.794 123.733 122.820 0.198 0.000 2.565 342 A HA 0.504 4.823 4.320 -0.000 0.000 0.237 342 A C 1.732 179.390 177.584 0.123 0.000 1.053 342 A CA 0.418 52.521 52.037 0.111 0.000 0.755 342 A CB -1.076 17.945 19.000 0.036 0.000 0.980 342 A HN 1.540 nan 8.150 nan 0.000 0.506 343 G N 1.595 110.445 108.800 0.084 0.000 2.179 343 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 343 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 343 G C 0.129 175.252 174.900 0.372 0.000 0.977 343 G CA 0.897 46.086 45.100 0.147 0.000 0.641 343 G HN 2.271 nan 8.290 nan 0.000 0.533 344 H N -0.548 118.788 119.070 0.443 0.000 2.852 344 H HA 0.528 5.083 4.556 -0.000 0.000 0.362 344 H C 1.169 176.800 175.328 0.505 0.000 1.122 344 H CA -0.391 55.956 56.048 0.498 0.000 1.419 344 H CB 0.446 30.221 29.762 0.022 0.000 1.401 344 H HN 0.146 nan 8.280 nan 0.000 0.609 345 L N 2.275 124.052 121.223 0.923 0.000 2.791 345 L HA 0.317 4.657 4.340 -0.000 0.000 0.239 345 L C 1.999 179.165 176.870 0.492 0.000 1.203 345 L CA 0.267 55.432 54.840 0.542 0.000 1.002 345 L CB -0.253 41.949 42.059 0.239 0.000 1.295 345 L HN 0.893 nan 8.230 nan 0.000 0.504 346 A N 0.330 123.502 122.820 0.587 0.000 1.978 346 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 346 A C 1.560 179.096 177.584 -0.080 0.000 1.170 346 A CA 1.624 53.746 52.037 0.142 0.000 0.636 346 A CB -0.424 18.402 19.000 -0.289 0.000 0.810 346 A HN 0.403 nan 8.150 nan 0.000 0.448 347 F N -0.639 119.417 119.950 0.177 0.000 2.641 347 F HA 0.439 4.966 4.527 -0.000 0.000 0.302 347 F C 1.514 177.195 175.800 -0.199 0.000 1.098 347 F CA 0.194 58.112 58.000 -0.138 0.000 1.318 347 F CB -0.229 38.509 39.000 -0.437 0.000 1.035 347 F HN 0.466 nan 8.300 nan 0.000 0.551 348 G N 0.126 109.052 108.800 0.210 0.000 2.615 348 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 348 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 348 G C -1.016 174.174 174.900 0.483 0.000 1.339 348 G CA -0.349 44.895 45.100 0.240 0.000 0.884 348 G HN 0.576 nan 8.290 nan 0.000 0.559 349 H N -0.507 118.748 119.070 0.307 0.000 3.121 349 H HA 0.554 5.109 4.556 -0.000 0.000 0.337 349 H C 0.409 175.849 175.328 0.186 0.000 1.198 349 H CA 0.692 56.913 56.048 0.290 0.000 1.274 349 H CB 1.341 31.189 29.762 0.145 0.000 1.954 349 H HN 2.791 nan 8.280 nan 0.000 0.531 350 G N 2.497 111.031 108.800 -0.445 0.000 2.548 350 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.208 350 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.208 350 G C 1.104 175.939 174.900 -0.107 0.000 1.308 350 G CA -0.037 44.854 45.100 -0.349 0.000 0.924 350 G HN 0.919 nan 8.290 nan 0.000 0.540 351 I N -2.522 117.960 120.570 -0.147 0.000 2.567 351 I HA -0.010 4.160 4.170 -0.000 0.000 0.257 351 I C 1.566 177.563 176.117 -0.200 0.000 1.184 351 I CA 1.896 63.091 61.300 -0.175 0.000 1.451 351 I CB -0.319 37.484 38.000 -0.329 0.000 1.089 351 I HN 0.460 nan 8.210 nan 0.000 0.441 352 H N 0.701 119.769 119.070 -0.002 0.000 2.517 352 H HA 0.206 4.762 4.556 -0.000 0.000 0.282 352 H C 0.038 175.452 175.328 0.143 0.000 1.023 352 H CA -0.575 55.508 56.048 0.059 0.000 1.169 352 H CB -0.216 29.530 29.762 -0.027 0.000 1.454 352 H HN 0.329 nan 8.280 nan 0.000 0.556 353 F N 2.224 122.239 119.950 0.107 0.000 2.604 353 F HA -0.102 4.425 4.527 -0.000 0.000 0.393 353 F C 0.926 176.793 175.800 0.112 0.000 1.043 353 F CA -0.462 57.607 58.000 0.115 0.000 1.227 353 F CB 0.289 39.327 39.000 0.064 0.000 1.016 353 F HN 0.152 nan 8.300 nan 0.000 0.556 354 C N 8.953 127.957 119.300 -0.492 0.000 2.298 354 C HA -0.090 4.370 4.460 -0.000 0.000 0.395 354 C C 1.879 176.706 174.990 -0.272 0.000 1.526 354 C CA 0.055 58.879 59.018 -0.323 0.000 1.458 354 C CB -1.892 25.670 27.740 -0.296 0.000 2.506 354 C HN 0.975 nan 8.230 nan 0.000 0.604 355 I N 4.672 125.192 120.570 -0.084 0.000 3.059 355 I HA 0.151 4.321 4.170 -0.000 0.000 0.270 355 I C 1.927 177.816 176.117 -0.380 0.000 1.238 355 I CA 1.388 62.612 61.300 -0.128 0.000 1.478 355 I CB -0.095 37.911 38.000 0.010 0.000 1.097 355 I HN 0.894 nan 8.210 nan 0.000 0.455 356 G N -0.296 108.366 108.800 -0.230 0.000 3.088 356 G HA2 0.113 4.073 3.960 -0.000 0.000 0.217 356 G HA3 0.113 4.073 3.960 -0.000 0.000 0.217 356 G C 1.565 176.301 174.900 -0.273 0.000 1.159 356 G CA 0.480 45.450 45.100 -0.218 0.000 0.760 356 G HN 0.447 nan 8.290 nan 0.000 0.550 357 A N 2.554 125.073 122.820 -0.502 0.000 1.903 357 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 357 A C 0.982 178.290 177.584 -0.460 0.000 1.191 357 A CA 2.027 53.515 52.037 -0.916 0.000 0.638 357 A CB -1.104 17.090 19.000 -1.344 0.000 0.823 357 A HN 0.388 nan 8.150 nan 0.000 0.451 358 P HA -0.127 nan 4.420 nan 0.000 0.217 358 P C 1.635 178.900 177.300 -0.058 0.000 1.150 358 P CA 1.115 64.126 63.100 -0.148 0.000 0.832 358 P CB -0.138 31.476 31.700 -0.144 0.000 0.787 359 L N 0.130 121.325 121.223 -0.046 0.000 2.072 359 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 359 L C 2.540 179.463 176.870 0.089 0.000 1.079 359 L CA 1.810 56.694 54.840 0.072 0.000 0.752 359 L CB -1.589 40.586 42.059 0.193 0.000 0.906 359 L HN -0.111 nan 8.230 nan 0.000 0.436 360 A N -0.267 122.607 122.820 0.091 0.000 1.883 360 A HA -0.249 4.070 4.320 -0.000 0.000 0.217 360 A C 2.452 180.141 177.584 0.175 0.000 1.186 360 A CA 1.980 54.117 52.037 0.166 0.000 0.624 360 A CB -0.582 18.590 19.000 0.286 0.000 0.822 360 A HN 0.484 nan 8.150 nan 0.000 0.444 361 R N -1.292 119.307 120.500 0.166 0.000 2.081 361 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 361 R C 2.133 178.499 176.300 0.110 0.000 1.131 361 R CA 1.380 57.580 56.100 0.166 0.000 0.960 361 R CB -0.517 29.871 30.300 0.147 0.000 0.856 361 R HN 0.504 nan 8.270 nan 0.000 0.436 362 L N 1.618 122.891 121.223 0.083 0.000 2.012 362 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 362 L C 1.741 178.655 176.870 0.073 0.000 1.073 362 L CA 1.873 56.755 54.840 0.069 0.000 0.748 362 L CB -0.358 41.737 42.059 0.061 0.000 0.891 362 L HN 0.144 nan 8.230 nan 0.000 0.431 363 E N -0.403 119.846 120.200 0.082 0.000 2.051 363 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 363 E C 2.162 178.808 176.600 0.078 0.000 0.991 363 E CA 1.225 57.671 56.400 0.077 0.000 0.799 363 E CB -0.395 29.357 29.700 0.085 0.000 0.748 363 E HN 0.665 nan 8.360 nan 0.000 0.449 364 A N 1.612 124.488 122.820 0.094 0.000 1.877 364 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 364 A C 2.104 179.736 177.584 0.079 0.000 1.186 364 A CA 1.515 53.607 52.037 0.092 0.000 0.620 364 A CB -0.462 18.604 19.000 0.110 0.000 0.822 364 A HN 0.080 nan 8.150 nan 0.000 0.443 365 R N -0.514 120.033 120.500 0.079 0.000 2.083 365 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 365 R C 2.026 178.357 176.300 0.052 0.000 1.137 365 R CA 1.727 57.866 56.100 0.065 0.000 0.951 365 R CB -0.502 29.836 30.300 0.063 0.000 0.851 365 R HN 0.578 nan 8.270 nan 0.000 0.434 366 I N 0.382 120.981 120.570 0.049 0.000 2.315 366 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 366 I C 2.585 178.723 176.117 0.035 0.000 1.117 366 I CA 1.061 62.384 61.300 0.038 0.000 1.404 366 I CB -0.430 37.591 38.000 0.036 0.000 1.071 366 I HN 0.216 nan 8.210 nan 0.000 0.419 367 A N 0.641 123.487 122.820 0.043 0.000 1.877 367 A HA -0.141 4.178 4.320 -0.000 0.000 0.216 367 A C 2.432 180.040 177.584 0.041 0.000 1.186 367 A CA 1.654 53.715 52.037 0.041 0.000 0.620 367 A CB -0.966 18.064 19.000 0.052 0.000 0.822 367 A HN 0.213 nan 8.150 nan 0.000 0.443 368 V N 0.212 120.157 119.914 0.051 0.000 2.343 368 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 368 V C 2.685 178.804 176.094 0.042 0.000 1.051 368 V CA 2.345 64.677 62.300 0.054 0.000 1.036 368 V CB -0.831 31.032 31.823 0.066 0.000 0.654 368 V HN 0.691 nan 8.190 nan 0.000 0.451 369 R N 0.271 120.793 120.500 0.037 0.000 2.081 369 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 369 R C 2.287 178.597 176.300 0.017 0.000 1.131 369 R CA 1.658 57.774 56.100 0.027 0.000 0.960 369 R CB -0.441 29.875 30.300 0.025 0.000 0.856 369 R HN 0.468 nan 8.270 nan 0.000 0.436 370 A N 1.228 124.055 122.820 0.013 0.000 1.902 370 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 370 A C 2.218 179.795 177.584 -0.012 0.000 1.181 370 A CA 1.273 53.308 52.037 -0.003 0.000 0.623 370 A CB -0.562 18.434 19.000 -0.006 0.000 0.818 370 A HN 0.355 nan 8.150 nan 0.000 0.443 371 L N -1.261 119.961 121.223 -0.002 0.000 2.046 371 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 371 L C 2.511 179.385 176.870 0.008 0.000 1.077 371 L CA 0.831 55.669 54.840 -0.004 0.000 0.747 371 L CB -0.523 41.549 42.059 0.021 0.000 0.896 371 L HN 0.300 nan 8.230 nan 0.000 0.432 372 L N -0.367 120.869 121.223 0.021 0.000 2.027 372 L HA -0.167 4.172 4.340 -0.000 0.000 0.206 372 L C 2.541 179.421 176.870 0.016 0.000 1.074 372 L CA 1.688 56.544 54.840 0.027 0.000 0.745 372 L CB -0.627 41.452 42.059 0.034 0.000 0.898 372 L HN 0.201 nan 8.230 nan 0.000 0.433 373 E N -0.986 119.219 120.200 0.008 0.000 2.150 373 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 373 E C 2.208 178.803 176.600 -0.009 0.000 0.985 373 E CA 0.668 57.069 56.400 0.002 0.000 0.814 373 E CB -0.042 29.659 29.700 0.001 0.000 0.752 373 E HN 0.369 nan 8.360 nan 0.000 0.466 374 R N -0.248 120.238 120.500 -0.025 0.000 2.210 374 R HA 0.096 4.436 4.340 -0.000 0.000 0.203 374 R C 0.328 176.595 176.300 -0.055 0.000 1.010 374 R CA 0.346 56.416 56.100 -0.050 0.000 1.008 374 R CB 0.471 30.721 30.300 -0.083 0.000 0.923 374 R HN 0.098 nan 8.270 nan 0.000 0.469 375 C N 2.228 121.511 119.300 -0.028 0.000 2.492 375 C HA 0.279 4.739 4.460 -0.000 0.000 0.284 375 C C -1.217 173.805 174.990 0.054 0.000 1.082 375 C CA -1.372 57.654 59.018 0.013 0.000 1.555 375 C CB 1.309 29.064 27.740 0.025 0.000 1.798 375 C HN 0.229 nan 8.230 nan 0.000 0.413 376 P HA -0.096 nan 4.420 nan 0.000 0.222 376 P C 0.394 177.735 177.300 0.068 0.000 1.147 376 P CA 1.582 64.713 63.100 0.052 0.000 0.790 376 P CB 0.348 32.073 31.700 0.041 0.000 0.780 377 D N -0.213 120.245 120.400 0.097 0.000 2.525 377 D HA 0.123 4.763 4.640 -0.000 0.000 0.229 377 D C 0.522 176.903 176.300 0.135 0.000 1.202 377 D CA -0.467 53.594 54.000 0.102 0.000 0.828 377 D CB 0.035 40.896 40.800 0.102 0.000 1.008 377 D HN 0.131 nan 8.370 nan 0.000 0.493 378 L N 1.513 122.822 121.223 0.142 0.000 2.490 378 L HA 0.332 4.671 4.340 -0.000 0.000 0.274 378 L C -0.227 176.712 176.870 0.115 0.000 1.201 378 L CA 0.305 55.245 54.840 0.166 0.000 0.869 378 L CB 0.490 42.631 42.059 0.137 0.000 1.123 378 L HN 0.068 nan 8.230 nan 0.000 0.484 379 A N 4.758 127.644 122.820 0.110 0.000 2.608 379 A HA 0.506 4.826 4.320 -0.000 0.000 0.292 379 A C -1.244 176.376 177.584 0.060 0.000 1.066 379 A CA -0.813 51.265 52.037 0.068 0.000 0.676 379 A CB 0.543 19.567 19.000 0.041 0.000 1.277 379 A HN 0.664 nan 8.150 nan 0.000 0.413 380 L N 0.775 122.028 121.223 0.051 0.000 2.456 380 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 380 L C 0.632 177.508 176.870 0.010 0.000 1.189 380 L CA 0.172 55.040 54.840 0.046 0.000 0.846 380 L CB 0.681 42.779 42.059 0.064 0.000 1.111 380 L HN 0.963 nan 8.230 nan 0.000 0.475 381 D N 1.286 121.680 120.400 -0.010 0.000 2.340 381 D HA 0.174 4.814 4.640 -0.000 0.000 0.217 381 D C -0.395 175.881 176.300 -0.040 0.000 1.081 381 D CA 0.126 54.101 54.000 -0.042 0.000 0.842 381 D CB 0.402 41.160 40.800 -0.070 0.000 0.934 381 D HN 0.220 nan 8.370 nan 0.000 0.511 382 V N -3.072 116.827 119.914 -0.025 0.000 3.232 382 V HA 0.620 4.739 4.120 -0.000 0.000 0.303 382 V C -0.138 175.953 176.094 -0.004 0.000 1.311 382 V CA -0.833 61.451 62.300 -0.025 0.000 1.061 382 V CB 1.152 32.949 31.823 -0.043 0.000 1.085 382 V HN 0.037 nan 8.190 nan 0.000 0.447 383 S N 0.257 115.957 115.700 0.000 0.000 2.617 383 S HA 0.532 5.002 4.470 -0.000 0.000 0.269 383 S C -1.736 172.889 174.600 0.042 0.000 1.292 383 S CA -0.594 57.619 58.200 0.021 0.000 1.010 383 S CB 0.978 64.187 63.200 0.015 0.000 0.944 383 S HN 0.712 nan 8.310 nan 0.000 0.536 384 P HA -0.036 nan 4.420 nan 0.000 0.215 384 P C 1.684 179.048 177.300 0.106 0.000 1.157 384 P CA 1.723 64.925 63.100 0.170 0.000 0.874 384 P CB -0.470 31.370 31.700 0.233 0.000 0.790 385 G N -0.411 108.437 108.800 0.080 0.000 2.535 385 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 385 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 385 G C 1.153 176.073 174.900 0.033 0.000 1.122 385 G CA 0.475 45.612 45.100 0.062 0.000 0.769 385 G HN 0.355 nan 8.290 nan 0.000 0.549 386 E N -0.580 119.625 120.200 0.009 0.000 2.474 386 E HA 0.201 4.551 4.350 -0.000 0.000 0.194 386 E C 0.442 177.007 176.600 -0.058 0.000 1.041 386 E CA -0.434 55.953 56.400 -0.021 0.000 0.874 386 E CB 0.294 29.977 29.700 -0.028 0.000 0.914 386 E HN 0.334 nan 8.360 nan 0.000 0.498 387 L N 1.659 122.833 121.223 -0.081 0.000 2.397 387 L HA 0.156 4.496 4.340 -0.000 0.000 0.271 387 L C -0.136 176.646 176.870 -0.147 0.000 1.148 387 L CA -0.392 54.326 54.840 -0.203 0.000 0.825 387 L CB 0.937 42.764 42.059 -0.386 0.000 1.117 387 L HN -0.145 nan 8.230 nan 0.000 0.456 388 V N 1.366 121.130 119.914 -0.251 0.000 2.495 388 V HA 0.364 4.484 4.120 -0.000 0.000 0.298 388 V C -0.747 175.165 176.094 -0.303 0.000 1.031 388 V CA -0.600 61.607 62.300 -0.156 0.000 0.871 388 V CB 1.593 33.321 31.823 -0.158 0.000 0.988 388 V HN 0.573 nan 8.190 nan 0.000 0.432 389 W N 2.258 123.451 121.300 -0.179 0.000 2.578 389 W HA 0.604 5.264 4.660 -0.000 0.000 0.346 389 W C -0.415 176.023 176.519 -0.136 0.000 1.075 389 W CA -0.802 56.453 57.345 -0.150 0.000 1.233 389 W CB 0.714 30.121 29.460 -0.089 0.000 1.358 389 W HN 0.455 nan 8.180 nan 0.000 0.574 390 Y N 2.784 123.205 120.300 0.202 0.000 2.402 390 Y HA 0.217 4.767 4.550 -0.000 0.000 0.333 390 Y C -1.598 174.376 175.900 0.123 0.000 1.076 390 Y CA -1.824 56.347 58.100 0.118 0.000 1.299 390 Y CB 0.145 38.652 38.460 0.077 0.000 1.197 390 Y HN -0.043 nan 8.280 nan 0.000 0.517 391 P HA 0.076 nan 4.420 nan 0.000 0.271 391 P C -0.802 176.603 177.300 0.175 0.000 1.220 391 P CA 0.172 63.385 63.100 0.189 0.000 0.768 391 P CB 0.511 32.303 31.700 0.153 0.000 0.848 392 N N 4.077 122.874 118.700 0.162 0.000 4.430 392 N HA 0.078 4.818 4.740 -0.000 0.000 0.181 392 N C -2.611 172.989 175.510 0.150 0.000 1.061 392 N CA -1.159 51.974 53.050 0.138 0.000 1.089 392 N CB 0.884 39.435 38.487 0.108 0.000 1.586 392 N HN -0.024 nan 8.380 nan 0.000 0.881 393 P HA 0.008 nan 4.420 nan 0.000 0.220 393 P C 1.402 178.801 177.300 0.166 0.000 1.148 393 P CA 1.016 64.261 63.100 0.243 0.000 0.803 393 P CB 0.271 32.121 31.700 0.249 0.000 0.782 394 M N -1.831 117.847 119.600 0.129 0.000 2.476 394 M HA 0.165 4.645 4.480 -0.000 0.000 0.262 394 M C 0.948 177.291 176.300 0.072 0.000 1.111 394 M CA 0.564 55.922 55.300 0.097 0.000 1.127 394 M CB -0.270 32.382 32.600 0.087 0.000 1.376 394 M HN -0.077 nan 8.290 nan 0.000 0.465 395 I N 0.848 121.466 120.570 0.080 0.000 2.647 395 I HA 0.309 4.479 4.170 -0.000 0.000 0.295 395 I C -0.146 176.042 176.117 0.119 0.000 1.078 395 I CA -0.857 60.498 61.300 0.091 0.000 1.048 395 I CB 2.337 40.394 38.000 0.093 0.000 1.239 395 I HN -0.086 nan 8.210 nan 0.000 0.421 396 R N 4.157 124.745 120.500 0.146 0.000 2.287 396 R HA 0.493 4.833 4.340 -0.000 0.000 0.327 396 R C -0.262 176.286 176.300 0.413 0.000 1.109 396 R CA -0.414 55.825 56.100 0.232 0.000 1.013 396 R CB 0.802 31.215 30.300 0.189 0.000 1.126 396 R HN 0.834 nan 8.270 nan 0.000 0.503 397 G N 2.764 111.861 108.800 0.495 0.000 2.687 397 G HA2 0.492 4.452 3.960 -0.000 0.000 0.301 397 G HA3 0.492 4.452 3.960 -0.000 0.000 0.301 397 G C -0.558 174.500 174.900 0.264 0.000 1.416 397 G CA -0.624 44.702 45.100 0.376 0.000 1.005 397 G HN 0.318 nan 8.290 nan 0.000 0.509 398 L N 1.474 122.589 121.223 -0.180 0.000 2.418 398 L HA 0.336 4.676 4.340 -0.000 0.000 0.265 398 L C 1.610 178.316 176.870 -0.272 0.000 1.143 398 L CA -0.642 53.847 54.840 -0.584 0.000 0.809 398 L CB 1.552 43.133 42.059 -0.797 0.000 1.124 398 L HN 0.578 nan 8.230 nan 0.000 0.456 399 K N 1.481 121.574 120.400 -0.512 0.000 2.186 399 K HA 0.240 4.560 4.320 -0.000 0.000 0.202 399 K C 0.150 176.606 176.600 -0.239 0.000 1.052 399 K CA 0.654 56.591 56.287 -0.583 0.000 0.965 399 K CB 0.335 32.401 32.500 -0.724 0.000 0.746 399 K HN 0.708 nan 8.250 nan 0.000 0.457 400 A N 0.631 123.290 122.820 -0.269 0.000 2.608 400 A HA 0.524 4.844 4.320 -0.000 0.000 0.292 400 A C -2.070 175.383 177.584 -0.217 0.000 1.066 400 A CA -0.725 51.203 52.037 -0.182 0.000 0.676 400 A CB 1.340 20.249 19.000 -0.152 0.000 1.277 400 A HN 0.048 nan 8.150 nan 0.000 0.413 401 L N 2.105 123.247 121.223 -0.136 0.000 2.481 401 L HA 0.473 4.812 4.340 -0.000 0.000 0.255 401 L C -2.569 174.270 176.870 -0.052 0.000 1.192 401 L CA -1.716 53.051 54.840 -0.121 0.000 0.924 401 L CB 1.495 43.506 42.059 -0.080 0.000 1.179 401 L HN 0.450 nan 8.230 nan 0.000 0.491 402 P HA 0.215 nan 4.420 nan 0.000 0.271 402 P C -0.536 176.760 177.300 -0.008 0.000 1.226 402 P CA 0.230 63.308 63.100 -0.036 0.000 0.765 402 P CB 0.752 32.416 31.700 -0.061 0.000 0.835 403 I N 1.347 121.932 120.570 0.026 0.000 3.108 403 I HA 0.809 4.978 4.170 -0.000 0.000 0.312 403 I C -0.349 175.757 176.117 -0.019 0.000 1.095 403 I CA -1.766 59.569 61.300 0.059 0.000 1.000 403 I CB 2.649 40.746 38.000 0.162 0.000 1.229 403 I HN 0.305 nan 8.210 nan 0.000 0.454 404 R N 1.613 122.094 120.500 -0.031 0.000 2.799 404 R HA 0.606 4.946 4.340 -0.000 0.000 0.270 404 R C -1.847 174.427 176.300 -0.045 0.000 1.010 404 R CA -0.822 55.103 56.100 -0.292 0.000 0.916 404 R CB 1.310 31.447 30.300 -0.271 0.000 1.228 404 R HN 0.978 nan 8.270 nan 0.000 0.469 405 W N -0.326 120.977 121.300 0.005 0.000 1.578 405 W HA 0.531 5.190 4.660 -0.000 0.000 0.264 405 W C -0.904 175.618 176.519 0.006 0.000 0.867 405 W CA -0.880 56.469 57.345 0.007 0.000 1.833 405 W CB 0.424 29.889 29.460 0.008 0.000 1.008 405 W HN 0.296 nan 8.180 nan 0.000 0.460 406 R N 1.174 121.630 120.500 -0.073 0.000 2.750 406 R HA 0.612 4.952 4.340 -0.000 0.000 0.281 406 R C 0.202 176.486 176.300 -0.027 0.000 0.972 406 R CA -1.093 54.993 56.100 -0.023 0.000 0.912 406 R CB 2.228 32.468 30.300 -0.099 0.000 1.187 406 R HN -0.044 nan 8.270 nan 0.000 0.464 407 R N 0.121 120.622 120.500 0.002 0.000 2.577 407 R HA 0.604 4.944 4.340 -0.000 0.000 0.269 407 R C 0.210 176.498 176.300 -0.020 0.000 1.084 407 R CA -0.249 55.849 56.100 -0.003 0.000 1.163 407 R CB 1.099 31.405 30.300 0.010 0.000 1.100 407 R HN 0.828 nan 8.270 nan 0.000 0.547 408 G N 0.000 108.788 108.800 -0.020 0.000 5.446 408 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 408 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 408 G CA 0.000 nan 45.100 nan 0.000 0.502 408 G HN 0.000 nan 8.290 nan 0.000 0.925