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 1m0t_1_A DATA FIRST_RESID 5 DATA SEQUENCE PPSKDQLNEL IQEVNQWAIT NGLSMYPPKF EENPSNASVS PVTIYPTPIP DATA SEQUENCE RKCFDEAVQI QPVFNELYAR ITQDMAQPDS YLXXXXXXXX XXXXXFTGKL DATA SEQUENCE WSLYLATLKS AQYKKQNFRL GIFRSDYLID KKXXXEQIKQ VEFNTVSVSF DATA SEQUENCE AGLSEKVDRL HSYLNRANKY DPKGPIYNDQ NMVISDSGYL LSKALAKAVE DATA SEQUENCE SYKSQQSSST TSDPIVAFIV QRNERNVFDQ KVLELNLLEK FGTKSVRLTF DATA SEQUENCE DDVNDKLFID DKTGKLFIRD TEQEIAVVYY RTGYTTTDYT SEKDWEARLF DATA SEQUENCE LEKSFAIKAP DLLTQLSGSK KIQQLLTDEG VLGKYISDAE KKSSLLKTFV DATA SEQUENCE KIYPLDDTKL GREGKRLALS EPSKYVLKPQ XXXXGNNVYK ENIPNFLKGI DATA SEQUENCE EERHWDAYIL MELIEPELNE NNIILRDNKS YNEPIISELG IYGCVLFNDE DATA SEQUENCE QVLSNEFSGS LLRSKXXXXX XXXXXXXXGC LDSIILY 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.292 177.300 -0.013 0.000 1.155 5 P CA 0.000 63.075 63.100 -0.041 0.000 0.800 5 P CB 0.000 31.671 31.700 -0.049 0.000 0.726 6 P HA 0.257 nan 4.420 nan 0.000 0.267 6 P C 0.188 177.506 177.300 0.030 0.000 1.200 6 P CA 0.144 63.276 63.100 0.053 0.000 0.772 6 P CB 0.631 32.404 31.700 0.122 0.000 0.855 7 S N 1.659 117.372 115.700 0.023 0.000 2.566 7 S HA -0.042 4.427 4.470 -0.001 0.000 0.280 7 S C 1.392 176.002 174.600 0.016 0.000 1.343 7 S CA -0.303 57.904 58.200 0.013 0.000 1.036 7 S CB 0.543 63.749 63.200 0.009 0.000 0.866 7 S HN 0.458 nan 8.310 nan 0.000 0.526 8 K N 1.613 122.018 120.400 0.008 0.000 2.063 8 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 8 K C 0.998 177.603 176.600 0.009 0.000 1.048 8 K CA 1.814 58.105 56.287 0.006 0.000 0.928 8 K CB -0.410 32.090 32.500 0.000 0.000 0.713 8 K HN 0.534 nan 8.250 nan 0.000 0.442 9 D N -0.640 119.765 120.400 0.009 0.000 2.289 9 D HA -0.085 4.555 4.640 -0.001 0.000 0.207 9 D C 1.805 178.115 176.300 0.015 0.000 0.966 9 D CA 0.685 54.691 54.000 0.010 0.000 0.868 9 D CB -0.010 40.794 40.800 0.007 0.000 0.943 9 D HN 0.384 nan 8.370 nan 0.000 0.514 10 Q N 0.538 120.350 119.800 0.021 0.000 2.079 10 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 10 Q C 1.972 177.995 176.000 0.039 0.000 0.974 10 Q CA 0.987 56.808 55.803 0.030 0.000 0.840 10 Q CB -0.350 28.411 28.738 0.038 0.000 0.898 10 Q HN 0.211 nan 8.270 nan 0.000 0.430 11 L N 0.695 121.942 121.223 0.040 0.000 2.056 11 L HA -0.092 4.248 4.340 -0.001 0.000 0.207 11 L C 1.583 178.467 176.870 0.023 0.000 1.078 11 L CA 1.878 56.743 54.840 0.042 0.000 0.749 11 L CB -0.857 41.227 42.059 0.042 0.000 0.901 11 L HN 0.252 nan 8.230 nan 0.000 0.433 12 N N -0.125 118.585 118.700 0.016 0.000 2.104 12 N HA -0.173 4.567 4.740 -0.001 0.000 0.190 12 N C 1.748 177.266 175.510 0.014 0.000 1.024 12 N CA 1.355 54.411 53.050 0.011 0.000 0.853 12 N CB -0.230 38.261 38.487 0.007 0.000 1.008 12 N HN 0.411 nan 8.380 nan 0.000 0.424 13 E N 0.491 120.700 120.200 0.016 0.000 2.072 13 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 13 E C 2.001 178.611 176.600 0.016 0.000 0.985 13 E CA 0.273 56.682 56.400 0.016 0.000 0.801 13 E CB -0.417 29.292 29.700 0.015 0.000 0.750 13 E HN 0.191 nan 8.360 nan 0.000 0.452 14 L N 1.163 122.394 121.223 0.014 0.000 2.046 14 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 14 L C 2.218 179.090 176.870 0.003 0.000 1.077 14 L CA 1.306 56.146 54.840 -0.000 0.000 0.747 14 L CB -0.548 41.512 42.059 0.002 0.000 0.896 14 L HN 0.069 nan 8.230 nan 0.000 0.432 15 I N -1.030 119.547 120.570 0.012 0.000 2.226 15 I HA -0.343 3.827 4.170 -0.001 0.000 0.245 15 I C 2.534 178.670 176.117 0.031 0.000 1.100 15 I CA 1.582 62.894 61.300 0.020 0.000 1.374 15 I CB -0.281 37.730 38.000 0.018 0.000 1.057 15 I HN 0.451 nan 8.210 nan 0.000 0.413 16 Q N 0.811 120.629 119.800 0.030 0.000 2.170 16 Q HA -0.280 4.060 4.340 -0.001 0.000 0.203 16 Q C 2.008 178.041 176.000 0.054 0.000 0.976 16 Q CA 1.691 57.516 55.803 0.036 0.000 0.858 16 Q CB 0.077 28.832 28.738 0.028 0.000 0.907 16 Q HN 0.351 nan 8.270 nan 0.000 0.433 17 E N -0.512 119.723 120.200 0.059 0.000 2.106 17 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 17 E C 1.776 178.456 176.600 0.133 0.000 0.984 17 E CA 1.273 57.733 56.400 0.099 0.000 0.806 17 E CB -0.078 29.667 29.700 0.075 0.000 0.750 17 E HN 0.247 nan 8.360 nan 0.000 0.458 18 V N 1.398 121.365 119.914 0.089 0.000 2.358 18 V HA -0.242 3.878 4.120 -0.001 0.000 0.246 18 V C 1.984 178.157 176.094 0.133 0.000 1.047 18 V CA 1.874 64.237 62.300 0.105 0.000 1.035 18 V CB -0.678 31.183 31.823 0.063 0.000 0.658 18 V HN 0.320 nan 8.190 nan 0.000 0.452 19 N N 0.218 118.972 118.700 0.089 0.000 2.069 19 N HA -0.199 4.541 4.740 -0.001 0.000 0.191 19 N C 1.945 177.492 175.510 0.063 0.000 1.031 19 N CA 1.605 54.696 53.050 0.068 0.000 0.852 19 N CB -0.382 38.131 38.487 0.044 0.000 1.018 19 N HN 0.594 nan 8.380 nan 0.000 0.423 20 Q N -0.905 118.935 119.800 0.067 0.000 2.050 20 Q HA -0.162 4.178 4.340 -0.001 0.000 0.202 20 Q C 1.948 177.968 176.000 0.033 0.000 0.980 20 Q CA 1.361 57.186 55.803 0.037 0.000 0.840 20 Q CB -0.260 28.506 28.738 0.046 0.000 0.898 20 Q HN 0.482 nan 8.270 nan 0.000 0.424 21 W N 0.868 122.114 121.300 -0.089 0.000 2.379 21 W HA -0.167 4.492 4.660 -0.001 0.000 0.307 21 W C 2.354 178.792 176.519 -0.134 0.000 1.200 21 W CA 1.797 59.044 57.345 -0.163 0.000 1.297 21 W CB -0.251 29.095 29.460 -0.190 0.000 1.140 21 W HN 0.124 nan 8.180 nan 0.000 0.507 22 A N 0.402 123.410 122.820 0.312 0.000 1.883 22 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 22 A C 1.964 179.505 177.584 -0.071 0.000 1.186 22 A CA 2.158 54.304 52.037 0.182 0.000 0.624 22 A CB -1.097 18.007 19.000 0.173 0.000 0.822 22 A HN 0.383 nan 8.150 nan 0.000 0.444 23 I N -0.525 119.996 120.570 -0.081 0.000 2.179 23 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 23 I C 2.536 178.522 176.117 -0.217 0.000 1.088 23 I CA 1.790 63.006 61.300 -0.141 0.000 1.357 23 I CB -0.690 37.251 38.000 -0.100 0.000 1.051 23 I HN 0.255 nan 8.210 nan 0.000 0.409 24 T N 0.472 114.874 114.554 -0.254 0.000 2.803 24 T HA -0.157 4.193 4.350 -0.001 0.000 0.269 24 T C 1.263 175.707 174.700 -0.428 0.000 1.052 24 T CA 1.495 63.401 62.100 -0.324 0.000 1.136 24 T CB -0.366 68.281 68.868 -0.367 0.000 0.864 24 T HN 0.330 nan 8.240 nan 0.000 0.467 25 N N -0.218 118.145 118.700 -0.562 0.000 2.230 25 N HA 0.341 5.080 4.740 -0.001 0.000 0.202 25 N C 1.026 176.336 175.510 -0.333 0.000 1.119 25 N CA 0.329 53.026 53.050 -0.588 0.000 0.851 25 N CB 0.603 38.411 38.487 -1.131 0.000 0.990 25 N HN 0.360 nan 8.380 nan 0.000 0.497 26 G N 0.938 109.573 108.800 -0.275 0.000 2.198 26 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.260 26 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.260 26 G C -0.073 174.742 174.900 -0.142 0.000 1.025 26 G CA -0.108 44.849 45.100 -0.238 0.000 0.769 26 G HN 0.315 nan 8.290 nan 0.000 0.507 27 L N 2.095 123.272 121.223 -0.076 0.000 2.391 27 L HA 0.631 4.971 4.340 -0.001 0.000 0.249 27 L C 0.422 177.292 176.870 -0.000 0.000 1.308 27 L CA -0.125 54.734 54.840 0.031 0.000 1.209 27 L CB -0.625 41.519 42.059 0.142 0.000 1.401 27 L HN 0.267 nan 8.230 nan 0.000 0.416 28 S N 3.305 118.982 115.700 -0.039 0.000 2.697 28 S HA 0.913 5.382 4.470 -0.001 0.000 0.289 28 S C -0.542 174.136 174.600 0.131 0.000 1.149 28 S CA -0.870 57.293 58.200 -0.061 0.000 0.850 28 S CB 2.102 65.106 63.200 -0.327 0.000 1.151 28 S HN 0.504 nan 8.310 nan 0.000 0.491 29 M N -0.215 119.469 119.600 0.139 0.000 2.578 29 M HA 0.569 5.049 4.480 -0.001 0.000 0.276 29 M C -2.175 174.255 176.300 0.217 0.000 1.245 29 M CA -0.834 54.611 55.300 0.241 0.000 0.871 29 M CB 1.203 33.904 32.600 0.169 0.000 1.722 29 M HN 0.659 nan 8.290 nan 0.000 0.473 30 Y N 2.084 122.459 120.300 0.125 0.000 2.359 30 Y HA 0.426 4.976 4.550 -0.001 0.000 0.330 30 Y C -1.980 173.966 175.900 0.077 0.000 1.143 30 Y CA -1.493 56.604 58.100 -0.004 0.000 1.318 30 Y CB 1.016 39.116 38.460 -0.601 0.000 1.234 30 Y HN 0.424 nan 8.280 nan 0.000 0.522 31 P HA 0.206 nan 4.420 nan 0.000 0.279 31 P C -2.758 174.705 177.300 0.272 0.000 1.276 31 P CA -2.101 61.144 63.100 0.242 0.000 0.801 31 P CB 0.590 32.406 31.700 0.194 0.000 1.127 32 P HA -0.001 nan 4.420 nan 0.000 0.267 32 P C -0.085 177.282 177.300 0.111 0.000 1.200 32 P CA 0.602 63.794 63.100 0.153 0.000 0.772 32 P CB -0.111 31.645 31.700 0.093 0.000 0.855 33 K N 1.282 121.694 120.400 0.021 0.000 3.071 33 K HA -0.199 4.121 4.320 -0.001 0.000 0.265 33 K C 0.707 177.221 176.600 -0.144 0.000 1.060 33 K CA 0.876 57.097 56.287 -0.110 0.000 0.767 33 K CB -2.625 29.841 32.500 -0.057 0.000 1.241 33 K HN 0.643 nan 8.250 nan 0.000 0.486 34 F N 0.060 119.933 119.950 -0.127 0.000 2.451 34 F HA -0.015 4.511 4.527 -0.001 0.000 0.299 34 F C 1.493 177.121 175.800 -0.287 0.000 1.101 34 F CA 0.685 58.539 58.000 -0.242 0.000 1.436 34 F CB -0.244 38.450 39.000 -0.511 0.000 1.074 34 F HN -0.019 nan 8.300 nan 0.000 0.553 35 E N 1.226 120.867 120.200 -0.931 0.000 2.265 35 E HA -0.168 4.181 4.350 -0.001 0.000 0.196 35 E C 1.739 178.172 176.600 -0.277 0.000 0.996 35 E CA 1.475 57.483 56.400 -0.654 0.000 0.832 35 E CB -0.557 28.777 29.700 -0.610 0.000 0.756 35 E HN 0.660 nan 8.360 nan 0.000 0.491 36 E N 0.132 120.213 120.200 -0.198 0.000 2.285 36 E HA -0.016 4.334 4.350 -0.001 0.000 0.194 36 E C 0.349 176.921 176.600 -0.047 0.000 0.997 36 E CA 0.440 56.781 56.400 -0.098 0.000 0.845 36 E CB 0.012 29.671 29.700 -0.068 0.000 0.782 36 E HN 0.143 nan 8.360 nan 0.000 0.491 37 N N -0.080 118.604 118.700 -0.027 0.000 2.976 37 N HA 0.045 4.785 4.740 -0.001 0.000 0.220 37 N C -2.548 173.009 175.510 0.079 0.000 1.428 37 N CA -0.786 52.281 53.050 0.029 0.000 0.748 37 N CB 1.079 39.592 38.487 0.044 0.000 1.484 37 N HN -0.179 nan 8.380 nan 0.000 0.578 38 P HA -0.022 nan 4.420 nan 0.000 0.244 38 P C 0.647 178.146 177.300 0.332 0.000 1.211 38 P CA 0.617 63.812 63.100 0.158 0.000 0.760 38 P CB 0.081 31.867 31.700 0.143 0.000 0.961 39 S N -2.288 113.543 115.700 0.219 0.000 2.540 39 S HA 0.149 4.619 4.470 -0.001 0.000 0.218 39 S C 0.494 175.191 174.600 0.163 0.000 0.977 39 S CA -0.603 57.703 58.200 0.178 0.000 0.918 39 S CB -0.707 62.552 63.200 0.099 0.000 0.806 39 S HN 0.138 nan 8.310 nan 0.000 0.496 40 N N 1.163 119.999 118.700 0.227 0.000 2.372 40 N HA 0.696 5.436 4.740 -0.001 0.000 0.291 40 N C -1.010 174.661 175.510 0.269 0.000 1.024 40 N CA -0.479 52.679 53.050 0.179 0.000 0.873 40 N CB 1.840 40.414 38.487 0.144 0.000 1.206 40 N HN 0.342 nan 8.380 nan 0.000 0.486 41 A N 1.265 124.150 122.820 0.108 0.000 2.515 41 A HA 0.769 5.089 4.320 -0.001 0.000 0.296 41 A C -0.858 176.731 177.584 0.009 0.000 1.094 41 A CA -0.593 51.478 52.037 0.056 0.000 0.718 41 A CB 1.592 20.410 19.000 -0.304 0.000 1.307 41 A HN 0.492 nan 8.150 nan 0.000 0.408 42 S N -0.598 115.123 115.700 0.035 0.000 2.607 42 S HA 0.597 5.066 4.470 -0.001 0.000 0.303 42 S C -0.255 174.350 174.600 0.008 0.000 1.086 42 S CA -0.563 57.657 58.200 0.032 0.000 0.995 42 S CB 1.664 64.911 63.200 0.079 0.000 1.084 42 S HN 0.706 nan 8.310 nan 0.000 0.507 43 V N 2.648 122.572 119.914 0.017 0.000 2.572 43 V HA 0.137 4.257 4.120 -0.001 0.000 0.291 43 V C 0.611 176.734 176.094 0.048 0.000 1.039 43 V CA -0.066 62.249 62.300 0.024 0.000 1.055 43 V CB 0.882 32.727 31.823 0.038 0.000 0.969 43 V HN 0.926 nan 8.190 nan 0.000 0.482 44 S N 6.476 122.208 115.700 0.053 0.000 2.579 44 S HA 0.216 4.686 4.470 -0.001 0.000 0.275 44 S C -2.225 172.404 174.600 0.048 0.000 1.345 44 S CA -0.556 57.681 58.200 0.061 0.000 1.031 44 S CB 0.496 63.736 63.200 0.067 0.000 0.892 44 S HN 0.639 nan 8.310 nan 0.000 0.529 45 P HA 0.227 nan 4.420 nan 0.000 0.267 45 P C -0.885 176.424 177.300 0.016 0.000 1.209 45 P CA -0.153 62.966 63.100 0.032 0.000 0.763 45 P CB 0.393 32.100 31.700 0.012 0.000 0.816 46 V N -0.008 119.933 119.914 0.044 0.000 3.188 46 V HA 0.755 4.874 4.120 -0.001 0.000 0.305 46 V C -0.187 175.966 176.094 0.100 0.000 1.232 46 V CA -0.997 61.332 62.300 0.049 0.000 1.043 46 V CB 1.648 33.496 31.823 0.043 0.000 1.068 46 V HN 0.530 nan 8.190 nan 0.000 0.439 47 T N -0.762 113.879 114.554 0.145 0.000 2.874 47 T HA 0.625 4.975 4.350 -0.001 0.000 0.281 47 T C 0.917 175.749 174.700 0.219 0.000 0.994 47 T CA -0.364 61.839 62.100 0.172 0.000 1.015 47 T CB 1.414 70.391 68.868 0.181 0.000 1.028 47 T HN 0.624 nan 8.240 nan 0.000 0.523 48 I N -0.538 120.073 120.570 0.069 0.000 2.703 48 I HA 0.135 4.304 4.170 -0.001 0.000 0.259 48 I C 0.069 175.897 176.117 -0.482 0.000 1.151 48 I CA 0.343 61.566 61.300 -0.130 0.000 1.470 48 I CB 0.038 37.873 38.000 -0.275 0.000 1.112 48 I HN 0.580 nan 8.210 nan 0.000 0.437 49 Y N 0.934 121.078 120.300 -0.261 0.000 2.621 49 Y HA 0.448 4.998 4.550 -0.001 0.000 0.334 49 Y C -2.346 173.245 175.900 -0.516 0.000 1.074 49 Y CA -2.919 54.896 58.100 -0.474 0.000 1.149 49 Y CB 0.496 38.781 38.460 -0.291 0.000 1.302 49 Y HN -0.231 nan 8.280 nan 0.000 0.501 50 P HA 0.167 nan 4.420 nan 0.000 0.279 50 P C -0.840 176.410 177.300 -0.083 0.000 1.252 50 P CA -0.376 62.648 63.100 -0.125 0.000 0.811 50 P CB 1.305 32.858 31.700 -0.245 0.000 1.035 51 T N 3.077 117.623 114.554 -0.015 0.000 2.837 51 T HA 0.384 4.734 4.350 -0.001 0.000 0.285 51 T C -2.354 172.344 174.700 -0.002 0.000 0.984 51 T CA -1.439 60.659 62.100 -0.003 0.000 1.049 51 T CB 0.387 69.276 68.868 0.035 0.000 0.947 51 T HN 0.269 nan 8.240 nan 0.000 0.472 52 P HA 0.290 nan 4.420 nan 0.000 0.271 52 P C -0.846 176.605 177.300 0.251 0.000 1.226 52 P CA -0.251 62.901 63.100 0.087 0.000 0.765 52 P CB 0.372 32.013 31.700 -0.098 0.000 0.835 53 I N 5.382 126.125 120.570 0.289 0.000 2.533 53 I HA 0.305 4.474 4.170 -0.001 0.000 0.290 53 I C -2.410 173.662 176.117 -0.075 0.000 1.056 53 I CA -3.112 58.292 61.300 0.174 0.000 1.057 53 I CB 2.293 40.336 38.000 0.072 0.000 1.240 53 I HN 0.106 nan 8.210 nan 0.000 0.423 54 P HA 0.146 nan 4.420 nan 0.000 0.267 54 P C 0.609 177.720 177.300 -0.316 0.000 1.205 54 P CA -0.148 62.495 63.100 -0.762 0.000 0.765 54 P CB 1.106 32.494 31.700 -0.519 0.000 0.828 55 R N 3.272 123.592 120.500 -0.300 0.000 2.103 55 R HA -0.193 4.147 4.340 -0.001 0.000 0.242 55 R C 2.236 178.521 176.300 -0.025 0.000 1.142 55 R CA 1.962 58.006 56.100 -0.094 0.000 0.960 55 R CB -0.279 29.970 30.300 -0.084 0.000 0.858 55 R HN 0.231 nan 8.270 nan 0.000 0.439 56 K N -0.203 120.142 120.400 -0.091 0.000 2.026 56 K HA -0.117 4.203 4.320 -0.001 0.000 0.208 56 K C 2.028 178.590 176.600 -0.063 0.000 1.048 56 K CA 1.671 57.916 56.287 -0.069 0.000 0.929 56 K CB -0.807 31.643 32.500 -0.083 0.000 0.713 56 K HN 0.591 nan 8.250 nan 0.000 0.439 57 C N -0.353 118.906 119.300 -0.067 0.000 2.429 57 C HA 0.072 4.532 4.460 -0.001 0.000 0.277 57 C C 2.292 177.247 174.990 -0.058 0.000 1.262 57 C CA 0.841 59.817 59.018 -0.071 0.000 1.733 57 C CB -1.333 26.375 27.740 -0.052 0.000 2.010 57 C HN 0.711 nan 8.230 nan 0.000 0.483 58 F N 2.250 122.126 119.950 -0.124 0.000 2.102 58 F HA -0.171 4.355 4.527 -0.000 0.000 0.298 58 F C 2.163 177.895 175.800 -0.114 0.000 1.105 58 F CA 2.050 59.993 58.000 -0.095 0.000 1.239 58 F CB -0.346 38.617 39.000 -0.063 0.000 0.991 58 F HN 0.207 nan 8.300 nan 0.000 0.474 59 D N 0.194 120.550 120.400 -0.072 0.000 2.144 59 D HA -0.227 4.412 4.640 -0.001 0.000 0.199 59 D C 2.090 178.244 176.300 -0.243 0.000 0.984 59 D CA 1.540 55.434 54.000 -0.178 0.000 0.834 59 D CB -0.478 40.288 40.800 -0.057 0.000 0.955 59 D HN 0.570 nan 8.370 nan 0.000 0.465 60 E N 0.715 120.796 120.200 -0.198 0.000 2.072 60 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 60 E C 2.007 178.460 176.600 -0.245 0.000 0.985 60 E CA 1.015 57.300 56.400 -0.193 0.000 0.801 60 E CB 0.031 29.631 29.700 -0.166 0.000 0.750 60 E HN 0.137 nan 8.360 nan 0.000 0.452 61 A N 0.644 123.259 122.820 -0.342 0.000 1.902 61 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 61 A C 2.415 179.858 177.584 -0.236 0.000 1.181 61 A CA 1.454 53.265 52.037 -0.377 0.000 0.623 61 A CB -0.693 18.031 19.000 -0.460 0.000 0.818 61 A HN 0.238 nan 8.150 nan 0.000 0.443 62 V N -0.107 119.537 119.914 -0.451 0.000 2.261 62 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 62 V C 2.739 178.609 176.094 -0.372 0.000 1.047 62 V CA 2.329 64.267 62.300 -0.603 0.000 1.015 62 V CB -0.742 30.494 31.823 -0.978 0.000 0.642 62 V HN 0.779 nan 8.190 nan 0.000 0.446 63 Q N -0.838 118.790 119.800 -0.286 0.000 2.170 63 Q HA -0.214 4.125 4.340 -0.001 0.000 0.203 63 Q C 2.038 177.997 176.000 -0.068 0.000 0.976 63 Q CA 1.889 57.593 55.803 -0.164 0.000 0.858 63 Q CB -0.103 28.547 28.738 -0.146 0.000 0.907 63 Q HN 0.603 nan 8.270 nan 0.000 0.433 64 I N 0.406 120.958 120.570 -0.030 0.000 3.251 64 I HA -0.119 4.051 4.170 -0.001 0.000 0.277 64 I C 1.977 178.225 176.117 0.218 0.000 1.268 64 I CA 0.553 61.879 61.300 0.043 0.000 1.449 64 I CB 0.041 38.071 38.000 0.050 0.000 1.083 64 I HN 0.195 nan 8.210 nan 0.000 0.464 65 Q N 1.550 121.519 119.800 0.281 0.000 2.112 65 Q HA -0.153 4.187 4.340 -0.001 0.000 0.206 65 Q C -0.668 175.558 176.000 0.377 0.000 0.987 65 Q CA 2.340 58.403 55.803 0.434 0.000 0.858 65 Q CB -1.426 27.572 28.738 0.433 0.000 0.905 65 Q HN 0.267 nan 8.270 nan 0.000 0.420 66 P HA -0.125 nan 4.420 nan 0.000 0.216 66 P C 1.122 178.505 177.300 0.139 0.000 1.150 66 P CA 1.261 64.472 63.100 0.185 0.000 0.837 66 P CB -0.002 31.768 31.700 0.118 0.000 0.786 67 V N -1.792 118.163 119.914 0.068 0.000 2.427 67 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 67 V C 2.043 178.106 176.094 -0.051 0.000 1.051 67 V CA 1.659 63.927 62.300 -0.053 0.000 1.048 67 V CB -1.313 30.399 31.823 -0.185 0.000 0.666 67 V HN -0.002 nan 8.190 nan 0.000 0.456 68 F N 0.920 120.936 119.950 0.110 0.000 2.206 68 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 68 F C 2.356 178.255 175.800 0.165 0.000 1.090 68 F CA 1.112 59.160 58.000 0.081 0.000 1.323 68 F CB -0.640 38.452 39.000 0.153 0.000 1.028 68 F HN 0.182 nan 8.300 nan 0.000 0.492 69 N N 0.343 119.343 118.700 0.501 0.000 2.069 69 N HA -0.226 4.514 4.740 -0.001 0.000 0.191 69 N C 1.930 177.611 175.510 0.285 0.000 1.031 69 N CA 1.511 54.881 53.050 0.535 0.000 0.852 69 N CB -0.679 38.037 38.487 0.382 0.000 1.018 69 N HN 0.401 nan 8.380 nan 0.000 0.423 70 E N 0.319 120.601 120.200 0.137 0.000 2.077 70 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 70 E C 1.947 178.518 176.600 -0.048 0.000 0.989 70 E CA 0.629 57.037 56.400 0.015 0.000 0.800 70 E CB -0.098 29.603 29.700 0.001 0.000 0.746 70 E HN 0.119 nan 8.360 nan 0.000 0.452 71 L N 0.241 121.429 121.223 -0.058 0.000 1.989 71 L HA -0.212 4.128 4.340 -0.001 0.000 0.211 71 L C 1.950 178.608 176.870 -0.353 0.000 1.071 71 L CA 1.897 56.612 54.840 -0.208 0.000 0.749 71 L CB -0.844 41.056 42.059 -0.266 0.000 0.890 71 L HN 0.245 nan 8.230 nan 0.000 0.431 72 Y N -0.548 119.617 120.300 -0.226 0.000 2.373 72 Y HA -0.042 4.507 4.550 -0.000 0.000 0.293 72 Y C 2.438 178.212 175.900 -0.210 0.000 1.129 72 Y CA 1.050 58.996 58.100 -0.256 0.000 1.226 72 Y CB -0.671 37.578 38.460 -0.352 0.000 1.000 72 Y HN 0.333 nan 8.280 nan 0.000 0.549 73 A N 0.360 123.076 122.820 -0.173 0.000 1.873 73 A HA -0.166 4.154 4.320 -0.001 0.000 0.215 73 A C 2.238 179.579 177.584 -0.405 0.000 1.186 73 A CA 1.417 53.026 52.037 -0.714 0.000 0.616 73 A CB -0.454 18.004 19.000 -0.904 0.000 0.823 73 A HN 0.357 nan 8.150 nan 0.000 0.442 74 R N -0.571 119.794 120.500 -0.225 0.000 2.096 74 R HA -0.025 4.315 4.340 -0.001 0.000 0.235 74 R C 1.975 178.237 176.300 -0.064 0.000 1.127 74 R CA 1.487 57.543 56.100 -0.074 0.000 0.968 74 R CB -0.459 29.848 30.300 0.011 0.000 0.861 74 R HN 0.565 nan 8.270 nan 0.000 0.440 75 I N 0.152 120.552 120.570 -0.284 0.000 2.226 75 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 75 I C 1.985 178.021 176.117 -0.134 0.000 1.100 75 I CA 1.390 62.445 61.300 -0.408 0.000 1.374 75 I CB -0.382 37.235 38.000 -0.638 0.000 1.057 75 I HN 0.199 nan 8.210 nan 0.000 0.413 76 T N 0.188 114.717 114.554 -0.043 0.000 2.746 76 T HA -0.222 4.127 4.350 -0.001 0.000 0.267 76 T C 1.843 176.629 174.700 0.145 0.000 1.039 76 T CA 1.310 63.471 62.100 0.102 0.000 1.142 76 T CB -0.280 68.760 68.868 0.288 0.000 0.866 76 T HN 0.414 nan 8.240 nan 0.000 0.444 77 Q N 0.515 120.408 119.800 0.155 0.000 2.124 77 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 77 Q C 2.162 178.238 176.000 0.128 0.000 0.977 77 Q CA 1.366 57.275 55.803 0.175 0.000 0.850 77 Q CB -0.195 28.641 28.738 0.164 0.000 0.901 77 Q HN 0.398 nan 8.270 nan 0.000 0.429 78 D N 0.485 120.950 120.400 0.108 0.000 2.117 78 D HA -0.094 4.546 4.640 -0.001 0.000 0.198 78 D C 1.744 178.093 176.300 0.082 0.000 0.982 78 D CA 1.049 55.114 54.000 0.109 0.000 0.828 78 D CB 0.022 40.938 40.800 0.194 0.000 0.967 78 D HN 0.140 nan 8.370 nan 0.000 0.464 79 M N -0.110 119.522 119.600 0.054 0.000 2.267 79 M HA -0.092 4.387 4.480 -0.001 0.000 0.263 79 M C 1.808 178.170 176.300 0.104 0.000 1.063 79 M CA 1.083 56.413 55.300 0.050 0.000 1.090 79 M CB -0.060 32.541 32.600 0.002 0.000 1.392 79 M HN 0.048 nan 8.290 nan 0.000 0.422 80 A N -0.035 122.857 122.820 0.120 0.000 2.255 80 A HA -0.039 4.281 4.320 -0.001 0.000 0.206 80 A C 0.382 178.081 177.584 0.191 0.000 1.193 80 A CA 0.604 52.754 52.037 0.187 0.000 0.794 80 A CB -0.308 18.804 19.000 0.187 0.000 0.794 80 A HN 0.539 nan 8.150 nan 0.000 0.481 81 Q N -0.217 119.678 119.800 0.158 0.000 2.397 81 Q HA 0.215 4.555 4.340 -0.001 0.000 0.260 81 Q C -2.242 173.842 176.000 0.140 0.000 1.002 81 Q CA -2.088 53.798 55.803 0.137 0.000 0.716 81 Q CB 2.003 30.803 28.738 0.104 0.000 1.258 81 Q HN 0.160 nan 8.270 nan 0.000 0.477 82 P HA -0.169 nan 4.420 nan 0.000 0.231 82 P C 0.168 177.536 177.300 0.114 0.000 1.154 82 P CA 1.349 64.545 63.100 0.159 0.000 0.762 82 P CB -0.171 31.629 31.700 0.167 0.000 0.790 83 D N -0.527 119.932 120.400 0.098 0.000 2.561 83 D HA 0.251 4.890 4.640 -0.001 0.000 0.232 83 D C 1.000 177.352 176.300 0.088 0.000 1.198 83 D CA 0.089 54.138 54.000 0.081 0.000 0.826 83 D CB -0.002 40.838 40.800 0.066 0.000 0.992 83 D HN 0.354 nan 8.370 nan 0.000 0.490 84 S N -1.894 113.866 115.700 0.101 0.000 2.900 84 S HA 0.576 5.046 4.470 -0.001 0.000 0.320 84 S C 0.750 175.455 174.600 0.175 0.000 1.130 84 S CA 0.000 58.274 58.200 0.122 0.000 0.863 84 S CB 0.816 64.049 63.200 0.054 0.000 1.295 84 S HN 0.578 nan 8.310 nan 0.000 0.596 85 Y N -0.665 119.655 120.300 0.034 0.000 2.558 85 Y HA 0.533 5.083 4.550 -0.000 0.000 0.273 85 Y C 0.906 176.803 175.900 -0.005 0.000 1.100 85 Y CA -0.930 57.176 58.100 0.010 0.000 1.276 85 Y CB -0.190 38.273 38.460 0.005 0.000 1.196 85 Y HN 0.280 nan 8.280 nan 0.000 0.527 101 T N 0.955 115.460 114.554 -0.081 0.000 2.849 101 T HA -0.024 4.325 4.350 -0.001 0.000 0.270 101 T C 1.950 176.592 174.700 -0.097 0.000 1.066 101 T CA 1.640 63.648 62.100 -0.154 0.000 1.130 101 T CB -0.965 67.879 68.868 -0.039 0.000 0.864 101 T HN 0.494 nan 8.240 nan 0.000 0.481 102 G N 1.776 110.533 108.800 -0.071 0.000 2.421 102 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.216 102 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.216 102 G C 1.631 176.471 174.900 -0.099 0.000 1.171 102 G CA 0.461 45.541 45.100 -0.034 0.000 0.775 102 G HN 0.404 nan 8.290 nan 0.000 0.543 103 K N 0.016 120.242 120.400 -0.289 0.000 2.057 103 K HA 0.084 4.404 4.320 -0.001 0.000 0.206 103 K C 2.551 178.899 176.600 -0.420 0.000 1.050 103 K CA 0.592 56.545 56.287 -0.555 0.000 0.935 103 K CB -0.347 31.452 32.500 -1.168 0.000 0.715 103 K HN 0.282 nan 8.250 nan 0.000 0.439 104 L N 0.016 121.047 121.223 -0.321 0.000 2.042 104 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 104 L C 2.481 179.365 176.870 0.024 0.000 1.076 104 L CA 1.268 56.026 54.840 -0.137 0.000 0.749 104 L CB -0.490 41.438 42.059 -0.218 0.000 0.893 104 L HN 0.461 nan 8.230 nan 0.000 0.432 105 W N 0.217 121.444 121.300 -0.121 0.000 2.363 105 W HA -0.235 4.424 4.660 -0.001 0.000 0.296 105 W C 2.703 179.230 176.519 0.014 0.000 1.212 105 W CA 1.588 58.923 57.345 -0.017 0.000 1.260 105 W CB 0.004 29.438 29.460 -0.043 0.000 1.131 105 W HN 0.195 nan 8.180 nan 0.000 0.530 106 S N 0.861 116.520 115.700 -0.068 0.000 2.356 106 S HA -0.208 4.262 4.470 -0.001 0.000 0.223 106 S C 2.029 176.508 174.600 -0.201 0.000 1.032 106 S CA 1.597 59.695 58.200 -0.170 0.000 1.005 106 S CB -0.668 62.427 63.200 -0.175 0.000 0.867 106 S HN 0.290 nan 8.310 nan 0.000 0.449 107 L N -0.011 121.126 121.223 -0.143 0.000 2.042 107 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 107 L C 2.456 179.259 176.870 -0.111 0.000 1.076 107 L CA 2.066 56.861 54.840 -0.075 0.000 0.749 107 L CB -0.842 41.238 42.059 0.035 0.000 0.893 107 L HN 0.466 nan 8.230 nan 0.000 0.432 108 Y N 0.914 121.062 120.300 -0.253 0.000 2.097 108 Y HA -0.284 4.265 4.550 -0.001 0.000 0.282 108 Y C 2.414 178.083 175.900 -0.385 0.000 1.152 108 Y CA 1.596 59.501 58.100 -0.326 0.000 1.136 108 Y CB -0.410 37.756 38.460 -0.491 0.000 0.975 108 Y HN -0.007 nan 8.280 nan 0.000 0.498 109 L N -0.296 120.519 121.223 -0.680 0.000 2.079 109 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 109 L C 2.741 179.363 176.870 -0.414 0.000 1.081 109 L CA 1.240 55.717 54.840 -0.605 0.000 0.752 109 L CB -1.031 40.765 42.059 -0.438 0.000 0.896 109 L HN 0.378 nan 8.230 nan 0.000 0.433 110 A N -0.096 122.545 122.820 -0.298 0.000 2.019 110 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 110 A C 2.335 179.804 177.584 -0.193 0.000 1.164 110 A CA 2.028 53.950 52.037 -0.191 0.000 0.644 110 A CB -0.801 18.129 19.000 -0.117 0.000 0.805 110 A HN 0.546 nan 8.150 nan 0.000 0.449 111 T N -2.393 112.004 114.554 -0.263 0.000 3.088 111 T HA 0.141 4.491 4.350 -0.001 0.000 0.259 111 T C 1.544 176.088 174.700 -0.260 0.000 1.122 111 T CA 0.795 62.768 62.100 -0.212 0.000 1.095 111 T CB -0.416 68.348 68.868 -0.173 0.000 0.930 111 T HN 0.326 nan 8.240 nan 0.000 0.508 112 L N -0.001 121.004 121.223 -0.362 0.000 2.376 112 L HA 0.195 4.534 4.340 -0.001 0.000 0.219 112 L C 1.548 178.305 176.870 -0.188 0.000 1.133 112 L CA 0.307 54.966 54.840 -0.301 0.000 0.816 112 L CB -0.416 41.433 42.059 -0.351 0.000 0.933 112 L HN 0.244 nan 8.230 nan 0.000 0.449 113 K N 1.917 122.217 120.400 -0.167 0.000 2.484 113 K HA 0.114 4.434 4.320 -0.001 0.000 0.280 113 K C 0.579 177.104 176.600 -0.125 0.000 1.013 113 K CA 0.123 56.336 56.287 -0.123 0.000 1.029 113 K CB 0.511 32.951 32.500 -0.101 0.000 0.902 113 K HN 0.150 nan 8.250 nan 0.000 0.481 114 S N 1.932 117.566 115.700 -0.111 0.000 2.568 114 S HA 0.394 4.863 4.470 -0.001 0.000 0.282 114 S C 0.002 174.501 174.600 -0.167 0.000 1.338 114 S CA 0.162 58.286 58.200 -0.126 0.000 1.045 114 S CB 0.518 63.662 63.200 -0.093 0.000 0.873 114 S HN 0.756 nan 8.310 nan 0.000 0.516 115 A N 0.704 123.372 122.820 -0.254 0.000 2.479 115 A HA 0.655 4.975 4.320 -0.001 0.000 0.296 115 A C 0.493 177.873 177.584 -0.340 0.000 1.121 115 A CA -0.150 51.649 52.037 -0.396 0.000 0.743 115 A CB 0.768 19.255 19.000 -0.855 0.000 1.323 115 A HN 0.908 nan 8.150 nan 0.000 0.415 116 Q N -0.489 119.152 119.800 -0.264 0.000 2.444 116 Q HA 0.146 4.485 4.340 -0.001 0.000 0.206 116 Q C -0.422 175.554 176.000 -0.040 0.000 0.948 116 Q CA 0.535 56.277 55.803 -0.101 0.000 0.946 116 Q CB -0.555 28.181 28.738 -0.003 0.000 1.027 116 Q HN 0.702 nan 8.270 nan 0.000 0.513 117 Y N -0.973 119.313 120.300 -0.025 0.000 2.524 117 Y HA 0.672 5.222 4.550 -0.000 0.000 0.344 117 Y C -0.782 175.105 175.900 -0.023 0.000 1.012 117 Y CA -2.271 55.798 58.100 -0.053 0.000 1.068 117 Y CB 0.895 39.303 38.460 -0.086 0.000 1.249 117 Y HN -0.308 nan 8.280 nan 0.000 0.468 118 K N 2.371 122.864 120.400 0.154 0.000 2.401 118 K HA 0.169 4.489 4.320 -0.001 0.000 0.278 118 K C -0.623 176.197 176.600 0.367 0.000 1.018 118 K CA -0.241 56.138 56.287 0.155 0.000 0.981 118 K CB 0.391 32.963 32.500 0.121 0.000 0.933 118 K HN 0.565 nan 8.250 nan 0.000 0.477 119 K N 1.879 122.441 120.400 0.269 0.000 2.202 119 K HA 0.047 4.367 4.320 -0.001 0.000 0.264 119 K C 0.024 176.789 176.600 0.275 0.000 1.010 119 K CA -0.766 55.718 56.287 0.329 0.000 0.940 119 K CB 0.555 33.139 32.500 0.141 0.000 0.983 119 K HN 0.357 nan 8.250 nan 0.000 0.475 120 Q N 2.705 122.557 119.800 0.087 0.000 2.262 120 Q HA -0.043 4.297 4.340 -0.001 0.000 0.272 120 Q C 0.388 176.326 176.000 -0.104 0.000 1.076 120 Q CA 0.407 56.012 55.803 -0.330 0.000 0.905 120 Q CB 0.326 28.729 28.738 -0.558 0.000 1.182 120 Q HN 0.607 nan 8.270 nan 0.000 0.390 121 N N 3.882 122.554 118.700 -0.046 0.000 2.392 121 N HA -0.022 4.718 4.740 -0.001 0.000 0.177 121 N C -0.559 175.093 175.510 0.236 0.000 1.066 121 N CA 0.145 53.265 53.050 0.117 0.000 0.895 121 N CB 0.155 38.755 38.487 0.189 0.000 0.988 121 N HN 0.262 nan 8.380 nan 0.000 0.457 122 F N 2.204 122.045 119.950 -0.182 0.000 2.412 122 F HA 0.448 4.974 4.527 -0.001 0.000 0.348 122 F C 0.993 176.611 175.800 -0.302 0.000 1.102 122 F CA -1.076 56.790 58.000 -0.223 0.000 1.196 122 F CB 0.715 39.610 39.000 -0.175 0.000 1.144 122 F HN -0.211 nan 8.300 nan 0.000 0.541 123 R N 2.619 122.908 120.500 -0.352 0.000 2.807 123 R HA 0.718 5.057 4.340 -0.001 0.000 0.276 123 R C -1.768 174.262 176.300 -0.450 0.000 0.979 123 R CA -1.308 54.510 56.100 -0.470 0.000 0.928 123 R CB 2.676 32.489 30.300 -0.811 0.000 1.191 123 R HN 0.460 nan 8.270 nan 0.000 0.471 124 L N 0.584 121.679 121.223 -0.212 0.000 2.325 124 L HA 0.606 4.945 4.340 -0.001 0.000 0.281 124 L C -0.556 176.279 176.870 -0.059 0.000 1.004 124 L CA 0.001 54.765 54.840 -0.126 0.000 0.823 124 L CB 2.001 43.982 42.059 -0.132 0.000 1.236 124 L HN 0.778 nan 8.230 nan 0.000 0.415 125 G N 6.307 115.044 108.800 -0.104 0.000 2.384 125 G HA2 0.579 4.539 3.960 -0.001 0.000 0.316 125 G HA3 0.579 4.539 3.960 -0.001 0.000 0.316 125 G C -0.812 173.592 174.900 -0.827 0.000 1.160 125 G CA -0.380 44.406 45.100 -0.523 0.000 0.936 125 G HN 0.580 nan 8.290 nan 0.000 0.455 126 I N 3.175 123.435 120.570 -0.517 0.000 2.359 126 I HA 0.384 4.554 4.170 -0.001 0.000 0.284 126 I C -0.496 175.596 176.117 -0.041 0.000 1.018 126 I CA -0.339 60.798 61.300 -0.270 0.000 1.173 126 I CB 0.705 38.654 38.000 -0.086 0.000 1.326 126 I HN 0.326 nan 8.210 nan 0.000 0.462 127 F N 4.671 124.611 119.950 -0.016 0.000 2.613 127 F HA 0.696 5.222 4.527 -0.001 0.000 0.342 127 F C 0.292 175.939 175.800 -0.255 0.000 1.066 127 F CA -1.187 56.687 58.000 -0.211 0.000 1.002 127 F CB 1.985 40.829 39.000 -0.260 0.000 1.319 127 F HN 0.269 nan 8.300 nan 0.000 0.495 128 R N 0.652 120.932 120.500 -0.367 0.000 2.515 128 R HA 0.296 4.635 4.340 -0.001 0.000 0.278 128 R C -1.747 174.130 176.300 -0.705 0.000 1.107 128 R CA -0.370 55.461 56.100 -0.448 0.000 0.945 128 R CB 2.176 32.220 30.300 -0.425 0.000 1.219 128 R HN 0.675 nan 8.270 nan 0.000 0.434 129 S N 2.293 117.696 115.700 -0.495 0.000 2.462 129 S HA 0.369 4.838 4.470 -0.001 0.000 0.294 129 S C -1.068 173.220 174.600 -0.520 0.000 1.144 129 S CA -0.647 57.243 58.200 -0.517 0.000 1.088 129 S CB 0.980 64.003 63.200 -0.296 0.000 1.009 129 S HN 0.490 nan 8.310 nan 0.000 0.484 130 D N 3.323 123.369 120.400 -0.590 0.000 2.308 130 D HA 0.410 5.049 4.640 -0.001 0.000 0.242 130 D C -1.026 174.959 176.300 -0.524 0.000 1.059 130 D CA 0.108 53.861 54.000 -0.412 0.000 0.830 130 D CB 1.041 41.693 40.800 -0.248 0.000 1.161 130 D HN 0.496 nan 8.370 nan 0.000 0.494 131 Y N 0.355 120.646 120.300 -0.015 0.000 2.598 131 Y HA 0.576 5.126 4.550 -0.001 0.000 0.340 131 Y C 0.078 175.994 175.900 0.027 0.000 1.038 131 Y CA -1.049 57.062 58.100 0.018 0.000 1.100 131 Y CB 1.715 40.194 38.460 0.032 0.000 1.281 131 Y HN 0.074 nan 8.280 nan 0.000 0.488 132 L N 2.685 124.038 121.223 0.215 0.000 2.362 132 L HA 0.461 4.801 4.340 -0.001 0.000 0.271 132 L C -1.062 175.889 176.870 0.134 0.000 1.002 132 L CA -0.956 53.965 54.840 0.135 0.000 0.818 132 L CB 1.635 43.750 42.059 0.094 0.000 1.298 132 L HN 0.464 nan 8.230 nan 0.000 0.420 133 I N 2.034 122.665 120.570 0.103 0.000 2.269 133 I HA 0.094 4.263 4.170 -0.001 0.000 0.293 133 I C 0.045 176.203 176.117 0.068 0.000 1.106 133 I CA -0.144 61.205 61.300 0.082 0.000 1.248 133 I CB 0.282 38.331 38.000 0.082 0.000 1.444 133 I HN 0.553 nan 8.210 nan 0.000 0.497 134 D N 6.224 126.661 120.400 0.062 0.000 2.350 134 D HA 0.137 4.777 4.640 -0.001 0.000 0.249 134 D C 0.304 176.626 176.300 0.037 0.000 1.119 134 D CA 0.206 54.234 54.000 0.047 0.000 0.886 134 D CB 0.887 41.714 40.800 0.045 0.000 1.195 134 D HN 0.363 nan 8.370 nan 0.000 0.437 135 K N 2.874 123.292 120.400 0.031 0.000 2.826 135 K HA 0.135 4.455 4.320 -0.001 0.000 0.206 135 K C 0.118 176.726 176.600 0.014 0.000 1.116 135 K CA -0.451 55.852 56.287 0.028 0.000 1.045 135 K CB 0.674 33.197 32.500 0.039 0.000 0.758 135 K HN 0.362 nan 8.250 nan 0.000 0.465 141 Q N 2.447 122.250 119.800 0.006 0.000 2.331 141 Q HA 0.547 4.887 4.340 -0.001 0.000 0.272 141 Q C -1.392 174.617 176.000 0.015 0.000 1.062 141 Q CA -0.840 54.964 55.803 0.000 0.000 0.806 141 Q CB 1.436 30.181 28.738 0.012 0.000 1.312 141 Q HN 0.632 nan 8.270 nan 0.000 0.431 142 I N 0.606 121.166 120.570 -0.017 0.000 2.529 142 I HA 0.508 4.678 4.170 -0.001 0.000 0.284 142 I C -0.510 175.685 176.117 0.130 0.000 1.082 142 I CA -0.484 60.819 61.300 0.004 0.000 1.406 142 I CB 0.749 38.603 38.000 -0.244 0.000 1.405 142 I HN 0.220 nan 8.210 nan 0.000 0.548 143 K N 6.071 126.615 120.400 0.239 0.000 2.413 143 K HA 0.294 4.614 4.320 -0.001 0.000 0.257 143 K C -0.922 175.884 176.600 0.343 0.000 0.946 143 K CA -0.566 55.881 56.287 0.266 0.000 0.823 143 K CB 2.094 34.694 32.500 0.166 0.000 1.109 143 K HN 0.719 nan 8.250 nan 0.000 0.427 144 Q N 2.208 122.221 119.800 0.355 0.000 2.286 144 Q HA 0.086 4.426 4.340 -0.001 0.000 0.267 144 Q C 0.801 176.813 176.000 0.021 0.000 1.028 144 Q CA -0.089 55.746 55.803 0.054 0.000 0.901 144 Q CB 0.738 29.517 28.738 0.068 0.000 1.183 144 Q HN 0.509 nan 8.270 nan 0.000 0.392 145 V N 0.376 120.242 119.914 -0.080 0.000 3.643 145 V HA 0.418 4.538 4.120 -0.001 0.000 0.280 145 V C -0.221 175.823 176.094 -0.085 0.000 1.351 145 V CA 0.186 62.460 62.300 -0.043 0.000 1.073 145 V CB 0.626 32.437 31.823 -0.021 0.000 0.863 145 V HN 0.712 nan 8.190 nan 0.000 0.436 146 E N -0.311 119.794 120.200 -0.159 0.000 2.401 146 E HA 0.507 4.857 4.350 -0.001 0.000 0.283 146 E C -2.086 174.375 176.600 -0.232 0.000 1.053 146 E CA -0.425 55.879 56.400 -0.159 0.000 0.842 146 E CB 1.811 31.423 29.700 -0.148 0.000 1.222 146 E HN 0.177 nan 8.360 nan 0.000 0.429 147 F N 3.948 123.683 119.950 -0.359 0.000 2.539 147 F HA 0.555 5.081 4.527 -0.000 0.000 0.328 147 F C -1.005 174.517 175.800 -0.463 0.000 1.148 147 F CA -0.579 57.118 58.000 -0.506 0.000 0.940 147 F CB 1.127 39.722 39.000 -0.676 0.000 1.194 147 F HN 0.346 nan 8.300 nan 0.000 0.438 148 N N 3.716 121.917 118.700 -0.831 0.000 2.426 148 N HA 0.178 4.918 4.740 -0.001 0.000 0.275 148 N C 0.416 175.583 175.510 -0.571 0.000 1.019 148 N CA 0.107 52.842 53.050 -0.524 0.000 0.941 148 N CB 1.754 40.021 38.487 -0.366 0.000 1.123 148 N HN 0.707 nan 8.380 nan 0.000 0.486 149 T N -2.012 112.351 114.554 -0.317 0.000 3.092 149 T HA 0.215 4.565 4.350 -0.001 0.000 0.258 149 T C 0.264 175.090 174.700 0.209 0.000 1.031 149 T CA -0.274 61.747 62.100 -0.133 0.000 0.925 149 T CB 0.023 68.773 68.868 -0.197 0.000 1.036 149 T HN 0.251 nan 8.240 nan 0.000 0.544 150 V N 0.286 120.251 119.914 0.085 0.000 2.969 150 V HA 0.644 4.764 4.120 -0.001 0.000 0.304 150 V C -0.068 176.007 176.094 -0.033 0.000 1.192 150 V CA -0.042 62.319 62.300 0.101 0.000 0.962 150 V CB 1.704 33.604 31.823 0.129 0.000 1.045 150 V HN 0.459 nan 8.190 nan 0.000 0.428 151 S N 3.310 118.992 115.700 -0.031 0.000 3.378 151 S HA -0.148 4.322 4.470 -0.001 0.000 0.365 151 S C -0.130 174.312 174.600 -0.263 0.000 0.951 151 S CA 0.812 58.903 58.200 -0.181 0.000 1.274 151 S CB -1.306 61.763 63.200 -0.219 0.000 0.915 151 S HN 2.187 nan 8.310 nan 0.000 0.513 152 V N 1.057 120.903 119.914 -0.113 0.000 2.686 152 V HA 0.776 4.896 4.120 -0.001 0.000 0.295 152 V C 0.729 176.784 176.094 -0.065 0.000 1.055 152 V CA -0.097 62.154 62.300 -0.081 0.000 1.050 152 V CB 1.616 33.467 31.823 0.046 0.000 0.984 152 V HN 0.529 nan 8.190 nan 0.000 0.482 153 S N 2.958 118.584 115.700 -0.124 0.000 2.747 153 S HA 0.804 5.274 4.470 -0.001 0.000 0.300 153 S C -0.243 174.322 174.600 -0.058 0.000 1.121 153 S CA -0.268 57.748 58.200 -0.306 0.000 0.995 153 S CB 0.763 63.470 63.200 -0.821 0.000 1.113 153 S HN 1.078 nan 8.310 nan 0.000 0.547 154 F N -1.396 118.610 119.950 0.094 0.000 2.840 154 F HA -0.270 4.256 4.527 -0.001 0.000 0.310 154 F C 1.660 177.515 175.800 0.093 0.000 0.688 154 F CA 0.226 58.291 58.000 0.108 0.000 1.286 154 F CB -2.191 36.887 39.000 0.130 0.000 1.612 154 F HN 0.607 nan 8.300 nan 0.000 0.335 155 A N 0.200 123.033 122.820 0.023 0.000 1.972 155 A HA 0.156 4.475 4.320 -0.001 0.000 0.219 155 A C 2.440 179.979 177.584 -0.074 0.000 1.169 155 A CA 2.034 53.888 52.037 -0.306 0.000 0.635 155 A CB -0.996 17.615 19.000 -0.647 0.000 0.810 155 A HN 0.630 nan 8.150 nan 0.000 0.446 156 G N -0.368 108.441 108.800 0.015 0.000 2.395 156 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.214 156 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.214 156 G C 1.482 176.444 174.900 0.104 0.000 1.177 156 G CA 0.766 45.899 45.100 0.055 0.000 0.794 156 G HN 0.404 nan 8.290 nan 0.000 0.532 157 L N 1.040 122.360 121.223 0.162 0.000 2.217 157 L HA -0.027 4.313 4.340 -0.001 0.000 0.211 157 L C 3.046 179.998 176.870 0.137 0.000 1.107 157 L CA 0.982 55.923 54.840 0.167 0.000 0.783 157 L CB -0.368 41.831 42.059 0.232 0.000 0.919 157 L HN 0.359 nan 8.230 nan 0.000 0.442 158 S N 0.376 116.172 115.700 0.160 0.000 2.359 158 S HA -0.243 4.226 4.470 -0.001 0.000 0.224 158 S C 1.829 176.490 174.600 0.103 0.000 1.035 158 S CA 1.706 59.990 58.200 0.140 0.000 1.018 158 S CB -0.113 63.220 63.200 0.222 0.000 0.876 158 S HN 0.475 nan 8.310 nan 0.000 0.448 159 E N 0.470 120.733 120.200 0.105 0.000 2.118 159 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 159 E C 2.268 178.935 176.600 0.111 0.000 0.992 159 E CA 1.190 57.650 56.400 0.100 0.000 0.804 159 E CB -0.107 29.650 29.700 0.096 0.000 0.741 159 E HN 0.573 nan 8.360 nan 0.000 0.458 160 K N 0.454 120.933 120.400 0.131 0.000 2.103 160 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 160 K C 2.230 178.905 176.600 0.123 0.000 1.052 160 K CA 0.646 57.065 56.287 0.219 0.000 0.945 160 K CB -0.078 32.554 32.500 0.221 0.000 0.722 160 K HN -0.007 nan 8.250 nan 0.000 0.443 161 V N 1.905 121.816 119.914 -0.005 0.000 2.515 161 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 161 V C 1.221 177.105 176.094 -0.350 0.000 1.058 161 V CA 1.966 64.139 62.300 -0.212 0.000 1.064 161 V CB -0.177 31.530 31.823 -0.194 0.000 0.675 161 V HN 0.222 nan 8.190 nan 0.000 0.461 162 D N 0.073 120.384 120.400 -0.149 0.000 2.097 162 D HA -0.130 4.509 4.640 -0.001 0.000 0.195 162 D C 2.407 178.651 176.300 -0.094 0.000 0.989 162 D CA 1.447 55.391 54.000 -0.092 0.000 0.827 162 D CB -0.239 40.568 40.800 0.011 0.000 0.966 162 D HN 0.440 nan 8.370 nan 0.000 0.456 163 R N -0.111 120.355 120.500 -0.058 0.000 2.115 163 R HA -0.030 4.310 4.340 -0.001 0.000 0.226 163 R C 2.192 178.245 176.300 -0.412 0.000 1.100 163 R CA 0.247 56.322 56.100 -0.041 0.000 0.980 163 R CB -0.254 30.171 30.300 0.209 0.000 0.875 163 R HN 0.137 nan 8.270 nan 0.000 0.445 164 L N 0.283 121.016 121.223 -0.816 0.000 2.017 164 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 164 L C 1.782 178.334 176.870 -0.530 0.000 1.073 164 L CA 1.947 55.983 54.840 -1.340 0.000 0.745 164 L CB -0.532 40.980 42.059 -0.911 0.000 0.894 164 L HN 0.206 nan 8.230 nan 0.000 0.432 165 H N -1.744 117.144 119.070 -0.305 0.000 2.389 165 H HA -0.123 4.432 4.556 -0.001 0.000 0.299 165 H C 2.421 177.699 175.328 -0.083 0.000 1.081 165 H CA 0.947 56.926 56.048 -0.114 0.000 1.345 165 H CB 0.056 29.822 29.762 0.007 0.000 1.393 165 H HN 0.496 nan 8.280 nan 0.000 0.520 166 S N 0.324 116.044 115.700 0.035 0.000 2.356 166 S HA -0.250 4.219 4.470 -0.001 0.000 0.223 166 S C 2.108 176.702 174.600 -0.010 0.000 1.032 166 S CA 1.420 59.644 58.200 0.040 0.000 1.005 166 S CB -0.508 62.717 63.200 0.041 0.000 0.867 166 S HN 0.512 nan 8.310 nan 0.000 0.449 167 Y N 2.087 122.272 120.300 -0.191 0.000 2.097 167 Y HA -0.087 4.462 4.550 -0.001 0.000 0.282 167 Y C 1.955 177.701 175.900 -0.256 0.000 1.152 167 Y CA 1.932 59.912 58.100 -0.200 0.000 1.136 167 Y CB -0.650 37.613 38.460 -0.329 0.000 0.975 167 Y HN 0.271 nan 8.280 nan 0.000 0.498 168 L N 0.400 121.296 121.223 -0.546 0.000 2.187 168 L HA -0.248 4.092 4.340 -0.001 0.000 0.213 168 L C 2.207 178.599 176.870 -0.797 0.000 1.100 168 L CA 1.756 56.095 54.840 -0.836 0.000 0.765 168 L CB -0.672 40.727 42.059 -1.101 0.000 0.904 168 L HN 0.351 nan 8.230 nan 0.000 0.437 169 N N 0.403 118.866 118.700 -0.395 0.000 2.148 169 N HA -0.109 4.631 4.740 -0.001 0.000 0.186 169 N C 1.935 177.400 175.510 -0.075 0.000 1.031 169 N CA 1.114 54.170 53.050 0.009 0.000 0.848 169 N CB 0.079 38.746 38.487 0.300 0.000 1.005 169 N HN 0.072 nan 8.380 nan 0.000 0.427 170 R N -0.412 120.017 120.500 -0.117 0.000 2.148 170 R HA 0.146 4.486 4.340 -0.001 0.000 0.223 170 R C 1.262 177.457 176.300 -0.175 0.000 1.088 170 R CA 1.024 57.065 56.100 -0.098 0.000 0.985 170 R CB -0.068 30.209 30.300 -0.039 0.000 0.880 170 R HN 0.196 nan 8.270 nan 0.000 0.451 171 A N 1.061 123.657 122.820 -0.374 0.000 2.337 171 A HA 0.069 4.389 4.320 -0.001 0.000 0.227 171 A C -0.204 177.214 177.584 -0.277 0.000 1.259 171 A CA -0.312 51.489 52.037 -0.395 0.000 0.870 171 A CB -0.010 18.482 19.000 -0.848 0.000 0.927 171 A HN 0.315 nan 8.150 nan 0.000 0.497 172 N N -0.540 118.033 118.700 -0.212 0.000 2.740 172 N HA -0.132 4.607 4.740 -0.001 0.000 0.248 172 N C 0.589 176.014 175.510 -0.142 0.000 1.062 172 N CA 1.199 54.171 53.050 -0.130 0.000 0.704 172 N CB -0.752 37.687 38.487 -0.080 0.000 0.968 172 N HN 0.508 nan 8.380 nan 0.000 0.547 173 K N -0.938 119.320 120.400 -0.236 0.000 2.308 173 K HA 0.173 4.492 4.320 -0.001 0.000 0.197 173 K C 1.668 178.209 176.600 -0.099 0.000 1.049 173 K CA 0.605 56.769 56.287 -0.205 0.000 0.991 173 K CB -0.015 32.293 32.500 -0.320 0.000 0.836 173 K HN 0.521 nan 8.250 nan 0.000 0.500 174 Y N 0.794 121.046 120.300 -0.080 0.000 2.263 174 Y HA -0.076 4.473 4.550 -0.001 0.000 0.292 174 Y C 0.665 176.548 175.900 -0.028 0.000 1.130 174 Y CA 0.335 58.416 58.100 -0.031 0.000 1.179 174 Y CB 0.538 38.992 38.460 -0.011 0.000 0.998 174 Y HN -0.026 nan 8.280 nan 0.000 0.532 175 D N -1.016 119.445 120.400 0.102 0.000 2.890 175 D HA 0.106 4.746 4.640 -0.001 0.000 0.233 175 D C -2.332 173.966 176.300 -0.003 0.000 1.306 175 D CA -1.986 52.033 54.000 0.032 0.000 0.929 175 D CB 2.083 42.884 40.800 0.002 0.000 1.512 175 D HN -0.139 nan 8.370 nan 0.000 0.568 176 P HA -0.118 nan 4.420 nan 0.000 0.221 176 P C 0.720 178.008 177.300 -0.020 0.000 1.145 176 P CA 0.840 63.929 63.100 -0.018 0.000 0.795 176 P CB 0.673 32.367 31.700 -0.011 0.000 0.775 177 K N -0.893 119.496 120.400 -0.019 0.000 2.356 177 K HA 0.304 4.624 4.320 -0.001 0.000 0.195 177 K C 1.144 177.731 176.600 -0.022 0.000 1.037 177 K CA 0.523 56.799 56.287 -0.020 0.000 1.014 177 K CB 0.375 32.863 32.500 -0.020 0.000 0.815 177 K HN 0.202 nan 8.250 nan 0.000 0.507 178 G N 0.439 109.224 108.800 -0.024 0.000 2.321 178 G HA2 0.117 4.077 3.960 -0.001 0.000 0.298 178 G HA3 0.117 4.077 3.960 -0.001 0.000 0.298 178 G C -3.206 171.681 174.900 -0.021 0.000 1.385 178 G CA -1.229 43.857 45.100 -0.024 0.000 0.856 178 G HN -0.320 nan 8.290 nan 0.000 0.584 179 P HA 0.265 nan 4.420 nan 0.000 0.268 179 P C 1.115 178.391 177.300 -0.039 0.000 1.205 179 P CA -0.221 62.885 63.100 0.010 0.000 0.771 179 P CB 0.519 32.238 31.700 0.031 0.000 0.858 180 I N -1.257 119.246 120.570 -0.111 0.000 3.956 180 I HA 0.274 4.444 4.170 -0.001 0.000 0.333 180 I C -0.411 175.418 176.117 -0.480 0.000 1.302 180 I CA 0.051 61.149 61.300 -0.337 0.000 1.122 180 I CB -0.109 37.577 38.000 -0.524 0.000 1.013 180 I HN 0.134 nan 8.210 nan 0.000 0.405 181 Y N 0.644 120.962 120.300 0.029 0.000 2.570 181 Y HA 0.443 4.993 4.550 -0.000 0.000 0.345 181 Y C -0.034 175.879 175.900 0.020 0.000 1.014 181 Y CA -1.232 56.877 58.100 0.015 0.000 1.063 181 Y CB 0.951 39.430 38.460 0.031 0.000 1.272 181 Y HN -0.095 nan 8.280 nan 0.000 0.477 182 N N 1.986 120.811 118.700 0.208 0.000 2.420 182 N HA 0.031 4.771 4.740 -0.001 0.000 0.249 182 N C 0.174 175.744 175.510 0.100 0.000 1.033 182 N CA 0.099 53.217 53.050 0.114 0.000 0.944 182 N CB 0.644 39.179 38.487 0.081 0.000 1.113 182 N HN 0.687 nan 8.380 nan 0.000 0.502 183 D N 2.684 123.136 120.400 0.086 0.000 2.239 183 D HA -0.215 4.425 4.640 -0.001 0.000 0.202 183 D C 0.897 177.222 176.300 0.041 0.000 0.993 183 D CA 1.395 55.434 54.000 0.066 0.000 0.874 183 D CB 0.323 41.157 40.800 0.057 0.000 0.922 183 D HN 0.719 nan 8.370 nan 0.000 0.464 184 Q N -0.064 119.759 119.800 0.037 0.000 2.364 184 Q HA -0.039 4.300 4.340 -0.001 0.000 0.207 184 Q C 1.182 177.188 176.000 0.009 0.000 0.970 184 Q CA 0.540 56.358 55.803 0.025 0.000 0.888 184 Q CB 0.099 28.853 28.738 0.027 0.000 0.951 184 Q HN 0.266 nan 8.270 nan 0.000 0.469 185 N N -0.385 118.319 118.700 0.007 0.000 2.325 185 N HA 0.100 4.840 4.740 -0.001 0.000 0.182 185 N C -0.013 175.452 175.510 -0.074 0.000 1.088 185 N CA 0.331 53.366 53.050 -0.025 0.000 0.879 185 N CB 0.470 38.960 38.487 0.006 0.000 0.983 185 N HN 0.219 nan 8.380 nan 0.000 0.471 186 M N 1.505 121.073 119.600 -0.053 0.000 2.105 186 M HA 0.175 4.655 4.480 -0.001 0.000 0.350 186 M C -0.370 175.890 176.300 -0.067 0.000 1.308 186 M CA -0.244 55.010 55.300 -0.077 0.000 1.108 186 M CB 1.485 34.063 32.600 -0.036 0.000 1.622 186 M HN -0.319 nan 8.290 nan 0.000 0.468 187 V N 5.996 125.839 119.914 -0.119 0.000 2.555 187 V HA 0.218 4.338 4.120 -0.001 0.000 0.286 187 V C 0.212 176.306 176.094 0.000 0.000 1.044 187 V CA 0.129 62.369 62.300 -0.099 0.000 1.026 187 V CB 0.640 32.312 31.823 -0.252 0.000 0.981 187 V HN 0.660 nan 8.190 nan 0.000 0.480 188 I N 4.406 125.008 120.570 0.053 0.000 2.420 188 I HA 0.250 4.420 4.170 -0.001 0.000 0.282 188 I C 0.310 176.501 176.117 0.124 0.000 1.019 188 I CA -0.050 61.296 61.300 0.076 0.000 1.130 188 I CB 1.710 39.749 38.000 0.066 0.000 1.262 188 I HN 0.639 nan 8.210 nan 0.000 0.454 189 S N 4.133 119.918 115.700 0.141 0.000 2.565 189 S HA 0.173 4.643 4.470 -0.001 0.000 0.276 189 S C 0.357 175.036 174.600 0.132 0.000 1.326 189 S CA -0.238 58.068 58.200 0.176 0.000 1.045 189 S CB 0.607 63.926 63.200 0.199 0.000 0.918 189 S HN 0.528 nan 8.310 nan 0.000 0.505 190 D N 2.367 122.843 120.400 0.127 0.000 2.501 190 D HA 0.120 4.759 4.640 -0.001 0.000 0.226 190 D C 1.603 177.959 176.300 0.092 0.000 1.198 190 D CA 0.203 54.275 54.000 0.119 0.000 0.830 190 D CB 0.259 41.140 40.800 0.135 0.000 1.014 190 D HN 0.635 nan 8.370 nan 0.000 0.496 191 S N -0.223 115.488 115.700 0.018 0.000 2.392 191 S HA -0.193 4.276 4.470 -0.001 0.000 0.232 191 S C 2.169 176.671 174.600 -0.163 0.000 1.041 191 S CA 1.431 59.546 58.200 -0.141 0.000 1.026 191 S CB -0.720 62.338 63.200 -0.235 0.000 0.845 191 S HN 0.290 nan 8.310 nan 0.000 0.465 192 G N 0.371 109.141 108.800 -0.050 0.000 2.421 192 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 192 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 192 G C 1.298 176.218 174.900 0.034 0.000 1.171 192 G CA 0.877 45.965 45.100 -0.019 0.000 0.775 192 G HN 0.619 nan 8.290 nan 0.000 0.543 193 Y N 1.182 121.479 120.300 -0.005 0.000 2.200 193 Y HA 0.033 4.583 4.550 -0.000 0.000 0.290 193 Y C 2.523 178.448 175.900 0.041 0.000 1.137 193 Y CA 1.269 59.403 58.100 0.058 0.000 1.163 193 Y CB -0.185 38.315 38.460 0.066 0.000 0.988 193 Y HN 0.099 nan 8.280 nan 0.000 0.518 194 L N -0.793 120.428 121.223 -0.003 0.000 2.093 194 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 194 L C 2.269 178.982 176.870 -0.260 0.000 1.085 194 L CA 0.812 55.568 54.840 -0.140 0.000 0.755 194 L CB -0.592 41.420 42.059 -0.078 0.000 0.904 194 L HN 0.262 nan 8.230 nan 0.000 0.435 195 L N -0.729 120.339 121.223 -0.257 0.000 2.093 195 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 195 L C 2.631 179.286 176.870 -0.358 0.000 1.085 195 L CA 1.442 56.098 54.840 -0.306 0.000 0.755 195 L CB -0.380 41.496 42.059 -0.305 0.000 0.904 195 L HN 0.107 nan 8.230 nan 0.000 0.435 196 S N -0.997 114.520 115.700 -0.306 0.000 2.402 196 S HA -0.191 4.278 4.470 -0.001 0.000 0.229 196 S C 1.942 176.183 174.600 -0.598 0.000 1.021 196 S CA 1.049 59.065 58.200 -0.307 0.000 0.974 196 S CB -0.170 62.983 63.200 -0.077 0.000 0.800 196 S HN 0.367 nan 8.310 nan 0.000 0.484 197 K N 1.571 121.534 120.400 -0.729 0.000 2.097 197 K HA 0.019 4.338 4.320 -0.001 0.000 0.205 197 K C 2.156 178.342 176.600 -0.690 0.000 1.050 197 K CA 1.024 56.666 56.287 -1.075 0.000 0.938 197 K CB -0.286 31.815 32.500 -0.664 0.000 0.718 197 K HN 0.294 nan 8.250 nan 0.000 0.442 198 A N 1.163 123.697 122.820 -0.476 0.000 1.898 198 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 198 A C 2.054 179.409 177.584 -0.382 0.000 1.181 198 A CA 1.104 52.926 52.037 -0.360 0.000 0.620 198 A CB -0.510 18.308 19.000 -0.304 0.000 0.819 198 A HN 0.301 nan 8.150 nan 0.000 0.442 199 L N -0.843 120.108 121.223 -0.455 0.000 2.093 199 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 199 L C 3.039 179.691 176.870 -0.362 0.000 1.085 199 L CA 0.946 55.526 54.840 -0.432 0.000 0.755 199 L CB -0.464 41.288 42.059 -0.512 0.000 0.904 199 L HN 0.428 nan 8.230 nan 0.000 0.435 200 A N 0.093 122.631 122.820 -0.471 0.000 1.930 200 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 200 A C 2.401 179.809 177.584 -0.294 0.000 1.175 200 A CA 1.714 53.502 52.037 -0.414 0.000 0.627 200 A CB -0.390 18.141 19.000 -0.782 0.000 0.815 200 A HN 0.338 nan 8.150 nan 0.000 0.443 201 K N -0.108 120.097 120.400 -0.325 0.000 2.097 201 K HA -0.076 4.244 4.320 -0.001 0.000 0.206 201 K C 2.055 178.587 176.600 -0.113 0.000 1.049 201 K CA 1.244 57.417 56.287 -0.190 0.000 0.933 201 K CB -0.315 32.071 32.500 -0.191 0.000 0.717 201 K HN 0.341 nan 8.250 nan 0.000 0.442 202 A N 0.683 123.417 122.820 -0.144 0.000 1.930 202 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 202 A C 2.191 179.750 177.584 -0.040 0.000 1.175 202 A CA 1.300 53.286 52.037 -0.086 0.000 0.627 202 A CB -0.422 18.491 19.000 -0.145 0.000 0.815 202 A HN 0.170 nan 8.150 nan 0.000 0.443 203 V N 0.369 120.233 119.914 -0.083 0.000 2.358 203 V HA -0.185 3.935 4.120 -0.001 0.000 0.246 203 V C 2.479 178.606 176.094 0.056 0.000 1.047 203 V CA 2.010 64.287 62.300 -0.038 0.000 1.035 203 V CB -0.659 31.120 31.823 -0.073 0.000 0.658 203 V HN 0.508 nan 8.190 nan 0.000 0.452 204 E N 0.682 120.895 120.200 0.021 0.000 2.150 204 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 204 E C 2.479 179.120 176.600 0.069 0.000 0.985 204 E CA 1.573 57.999 56.400 0.045 0.000 0.814 204 E CB -0.399 29.314 29.700 0.022 0.000 0.752 204 E HN 0.744 nan 8.360 nan 0.000 0.466 205 S N -0.244 115.510 115.700 0.090 0.000 2.461 205 S HA -0.121 4.349 4.470 -0.001 0.000 0.228 205 S C 2.055 176.717 174.600 0.104 0.000 1.005 205 S CA 0.360 58.651 58.200 0.151 0.000 0.942 205 S CB -0.373 62.977 63.200 0.250 0.000 0.776 205 S HN 0.342 nan 8.310 nan 0.000 0.514 206 Y N 2.396 122.670 120.300 -0.043 0.000 2.153 206 Y HA 0.129 4.679 4.550 -0.001 0.000 0.289 206 Y C 2.164 178.024 175.900 -0.066 0.000 1.127 206 Y CA 1.573 59.602 58.100 -0.118 0.000 1.131 206 Y CB -0.333 38.051 38.460 -0.126 0.000 0.995 206 Y HN 0.127 nan 8.280 nan 0.000 0.505 207 K N -0.172 120.272 120.400 0.073 0.000 2.103 207 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 207 K C 2.133 178.690 176.600 -0.070 0.000 1.048 207 K CA 1.655 57.937 56.287 -0.009 0.000 0.930 207 K CB -0.280 32.265 32.500 0.074 0.000 0.716 207 K HN 0.214 nan 8.250 nan 0.000 0.444 208 S N 1.441 117.122 115.700 -0.032 0.000 2.447 208 S HA -0.137 4.332 4.470 -0.001 0.000 0.233 208 S C 1.721 176.285 174.600 -0.060 0.000 1.006 208 S CA 0.960 59.148 58.200 -0.021 0.000 0.957 208 S CB -0.103 63.114 63.200 0.029 0.000 0.773 208 S HN 0.323 nan 8.310 nan 0.000 0.507 209 Q N 0.133 119.847 119.800 -0.143 0.000 2.226 209 Q HA 0.038 4.378 4.340 -0.001 0.000 0.204 209 Q C 0.883 176.805 176.000 -0.130 0.000 0.975 209 Q CA 0.802 56.499 55.803 -0.176 0.000 0.866 209 Q CB 0.161 28.716 28.738 -0.306 0.000 0.915 209 Q HN 0.454 nan 8.270 nan 0.000 0.440 210 Q N 0.112 119.828 119.800 -0.140 0.000 2.313 210 Q HA 0.191 4.531 4.340 -0.001 0.000 0.255 210 Q C -1.281 174.671 176.000 -0.080 0.000 0.944 210 Q CA -0.399 55.340 55.803 -0.106 0.000 0.881 210 Q CB 1.668 30.325 28.738 -0.135 0.000 1.375 210 Q HN 0.176 nan 8.270 nan 0.000 0.422 211 S N 1.735 117.407 115.700 -0.047 0.000 2.655 211 S HA 0.773 5.243 4.470 -0.001 0.000 0.265 211 S C -0.105 174.483 174.600 -0.019 0.000 1.240 211 S CA -0.080 58.105 58.200 -0.026 0.000 0.986 211 S CB 1.408 64.601 63.200 -0.013 0.000 0.985 211 S HN 0.669 nan 8.310 nan 0.000 0.562 212 S N -0.811 114.887 115.700 -0.004 0.000 2.546 212 S HA 0.564 5.034 4.470 -0.001 0.000 0.274 212 S C -0.410 174.194 174.600 0.008 0.000 1.121 212 S CA -0.706 57.496 58.200 0.004 0.000 0.887 212 S CB 1.509 64.719 63.200 0.017 0.000 1.094 212 S HN 0.742 nan 8.310 nan 0.000 0.474 213 S N 1.396 117.101 115.700 0.007 0.000 2.519 213 S HA 0.586 5.055 4.470 -0.001 0.000 0.245 213 S C 0.159 174.766 174.600 0.011 0.000 1.152 213 S CA 0.349 58.554 58.200 0.008 0.000 1.175 213 S CB -1.388 61.814 63.200 0.004 0.000 0.829 213 S HN 1.295 nan 8.310 nan 0.000 0.472 214 T N -0.261 114.303 114.554 0.017 0.000 2.840 214 T HA 0.503 4.852 4.350 -0.001 0.000 0.317 214 T C -0.275 174.441 174.700 0.028 0.000 1.401 214 T CA -0.600 61.513 62.100 0.021 0.000 1.028 214 T CB 1.096 69.978 68.868 0.024 0.000 1.317 214 T HN -0.002 nan 8.240 nan 0.000 0.495 215 T N 1.026 115.598 114.554 0.031 0.000 2.901 215 T HA 0.552 4.901 4.350 -0.001 0.000 0.301 215 T C -0.047 174.682 174.700 0.049 0.000 1.012 215 T CA 0.321 62.442 62.100 0.036 0.000 1.135 215 T CB 0.018 68.906 68.868 0.033 0.000 0.936 215 T HN 0.809 nan 8.240 nan 0.000 0.539 216 S N 3.027 118.759 115.700 0.053 0.000 2.647 216 S HA 0.415 4.885 4.470 -0.001 0.000 0.300 216 S C -1.367 173.274 174.600 0.067 0.000 1.129 216 S CA -0.751 57.492 58.200 0.071 0.000 1.029 216 S CB 1.190 64.434 63.200 0.074 0.000 1.007 216 S HN 0.813 nan 8.310 nan 0.000 0.484 217 D N 4.776 125.218 120.400 0.069 0.000 2.613 217 D HA 0.362 5.002 4.640 -0.001 0.000 0.312 217 D C -2.364 173.963 176.300 0.045 0.000 1.202 217 D CA -1.489 52.544 54.000 0.054 0.000 0.825 217 D CB 0.953 41.781 40.800 0.046 0.000 1.113 217 D HN 0.310 nan 8.370 nan 0.000 0.502 218 P HA 0.163 nan 4.420 nan 0.000 0.269 218 P C 0.223 177.494 177.300 -0.049 0.000 1.215 218 P CA -0.270 62.822 63.100 -0.012 0.000 0.780 218 P CB 1.165 32.874 31.700 0.015 0.000 0.898 219 I N -1.461 119.053 120.570 -0.093 0.000 3.133 219 I HA 0.603 4.773 4.170 -0.001 0.000 0.311 219 I C -0.734 175.321 176.117 -0.104 0.000 1.072 219 I CA -1.551 59.708 61.300 -0.068 0.000 1.015 219 I CB 1.933 39.915 38.000 -0.030 0.000 1.233 219 I HN -0.057 nan 8.210 nan 0.000 0.473 220 V N 2.494 122.387 119.914 -0.034 0.000 2.394 220 V HA 0.606 4.726 4.120 -0.001 0.000 0.282 220 V C 0.453 176.599 176.094 0.086 0.000 1.031 220 V CA -0.407 61.880 62.300 -0.022 0.000 0.881 220 V CB 1.064 32.906 31.823 0.032 0.000 0.982 220 V HN 0.844 nan 8.190 nan 0.000 0.451 221 A N 5.671 128.492 122.820 0.002 0.000 2.252 221 A HA 0.728 5.048 4.320 -0.001 0.000 0.309 221 A C -0.700 176.937 177.584 0.087 0.000 1.285 221 A CA -0.309 51.758 52.037 0.051 0.000 0.900 221 A CB -0.086 18.882 19.000 -0.053 0.000 1.157 221 A HN 0.591 nan 8.150 nan 0.000 0.536 222 F N 3.592 123.501 119.950 -0.068 0.000 2.413 222 F HA 0.270 4.797 4.527 -0.000 0.000 0.359 222 F C 0.389 176.079 175.800 -0.183 0.000 1.122 222 F CA -0.779 57.167 58.000 -0.090 0.000 1.160 222 F CB 0.837 39.806 39.000 -0.051 0.000 1.146 222 F HN 0.336 nan 8.300 nan 0.000 0.514 223 I N 6.136 126.607 120.570 -0.164 0.000 2.291 223 I HA 0.209 4.378 4.170 -0.001 0.000 0.292 223 I C 0.110 176.080 176.117 -0.245 0.000 1.064 223 I CA -0.459 60.706 61.300 -0.225 0.000 1.269 223 I CB 0.219 38.049 38.000 -0.282 0.000 1.418 223 I HN 0.272 nan 8.210 nan 0.000 0.485 224 V N 4.067 123.846 119.914 -0.225 0.000 3.019 224 V HA 0.561 4.681 4.120 -0.001 0.000 0.317 224 V C -0.088 175.843 176.094 -0.271 0.000 1.094 224 V CA -1.002 61.175 62.300 -0.205 0.000 1.000 224 V CB 1.854 33.611 31.823 -0.110 0.000 1.060 224 V HN 0.788 nan 8.190 nan 0.000 0.443 225 Q N 1.352 121.031 119.800 -0.203 0.000 2.340 225 Q HA 0.348 4.688 4.340 -0.001 0.000 0.249 225 Q C -0.098 175.835 176.000 -0.112 0.000 0.957 225 Q CA -0.503 55.189 55.803 -0.184 0.000 0.882 225 Q CB 0.811 29.477 28.738 -0.120 0.000 1.235 225 Q HN 0.774 nan 8.270 nan 0.000 0.439 226 R N 2.865 123.305 120.500 -0.099 0.000 2.590 226 R HA 0.040 4.380 4.340 -0.001 0.000 0.274 226 R C -0.025 176.276 176.300 0.001 0.000 1.061 226 R CA 0.031 56.102 56.100 -0.049 0.000 1.081 226 R CB 0.219 30.489 30.300 -0.051 0.000 0.984 226 R HN 0.829 nan 8.270 nan 0.000 0.448 227 N N 1.016 119.748 118.700 0.053 0.000 2.740 227 N HA -0.189 4.550 4.740 -0.001 0.000 0.248 227 N C -0.677 175.032 175.510 0.331 0.000 1.062 227 N CA 0.920 54.075 53.050 0.176 0.000 0.704 227 N CB -0.884 37.599 38.487 -0.006 0.000 0.968 227 N HN 0.621 nan 8.380 nan 0.000 0.547 228 E N 0.803 121.119 120.200 0.194 0.000 2.351 228 E HA 0.068 4.418 4.350 -0.001 0.000 0.266 228 E C 1.134 177.718 176.600 -0.027 0.000 1.031 228 E CA 0.224 56.660 56.400 0.059 0.000 0.911 228 E CB 0.515 30.186 29.700 -0.048 0.000 0.986 228 E HN 0.225 nan 8.360 nan 0.000 0.446 229 R N 3.289 123.783 120.500 -0.010 0.000 2.210 229 R HA 0.051 4.391 4.340 -0.001 0.000 0.203 229 R C 0.552 176.743 176.300 -0.182 0.000 1.010 229 R CA 0.538 56.575 56.100 -0.106 0.000 1.008 229 R CB 0.135 30.491 30.300 0.095 0.000 0.923 229 R HN 0.353 nan 8.270 nan 0.000 0.469 230 N N 0.734 119.339 118.700 -0.158 0.000 2.378 230 N HA -0.019 4.721 4.740 -0.001 0.000 0.243 230 N C 0.973 176.302 175.510 -0.302 0.000 1.137 230 N CA -0.070 52.882 53.050 -0.163 0.000 0.862 230 N CB 0.536 38.967 38.487 -0.093 0.000 1.116 230 N HN -0.060 nan 8.380 nan 0.000 0.499 231 V N -0.045 119.531 119.914 -0.564 0.000 2.490 231 V HA -0.180 3.939 4.120 -0.001 0.000 0.250 231 V C 1.168 176.929 176.094 -0.555 0.000 1.061 231 V CA 1.762 63.702 62.300 -0.600 0.000 1.064 231 V CB -0.621 30.769 31.823 -0.722 0.000 0.670 231 V HN 0.278 nan 8.190 nan 0.000 0.461 232 F N 0.997 120.832 119.950 -0.191 0.000 2.365 232 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 232 F C 2.114 177.867 175.800 -0.079 0.000 1.090 232 F CA 1.437 59.343 58.000 -0.157 0.000 1.408 232 F CB -0.997 37.883 39.000 -0.199 0.000 1.060 232 F HN 0.360 nan 8.300 nan 0.000 0.534 233 D N 0.049 120.480 120.400 0.053 0.000 2.123 233 D HA -0.153 4.487 4.640 -0.001 0.000 0.200 233 D C 1.925 178.244 176.300 0.031 0.000 0.976 233 D CA 1.362 55.399 54.000 0.060 0.000 0.831 233 D CB -0.085 40.733 40.800 0.030 0.000 0.974 233 D HN 0.337 nan 8.370 nan 0.000 0.469 234 Q N -0.612 119.183 119.800 -0.008 0.000 2.172 234 Q HA -0.074 4.266 4.340 -0.001 0.000 0.200 234 Q C 1.936 177.957 176.000 0.034 0.000 0.964 234 Q CA 0.817 56.664 55.803 0.074 0.000 0.855 234 Q CB 0.010 28.785 28.738 0.062 0.000 0.918 234 Q HN 0.040 nan 8.270 nan 0.000 0.444 235 K N 0.758 121.131 120.400 -0.046 0.000 2.152 235 K HA -0.115 4.205 4.320 -0.001 0.000 0.206 235 K C 1.770 178.358 176.600 -0.020 0.000 1.048 235 K CA 0.766 57.011 56.287 -0.071 0.000 0.933 235 K CB -0.327 32.162 32.500 -0.018 0.000 0.721 235 K HN 0.014 nan 8.250 nan 0.000 0.447 236 V N 0.858 120.788 119.914 0.028 0.000 2.392 236 V HA -0.256 3.864 4.120 -0.001 0.000 0.249 236 V C 2.119 178.246 176.094 0.055 0.000 1.059 236 V CA 1.693 64.017 62.300 0.040 0.000 1.051 236 V CB -0.403 31.451 31.823 0.052 0.000 0.658 236 V HN 0.284 nan 8.190 nan 0.000 0.455 237 L N -0.606 120.672 121.223 0.091 0.000 2.072 237 L HA -0.140 4.200 4.340 -0.001 0.000 0.205 237 L C 2.537 179.491 176.870 0.141 0.000 1.079 237 L CA 1.528 56.451 54.840 0.139 0.000 0.752 237 L CB -0.701 41.514 42.059 0.261 0.000 0.906 237 L HN 0.364 nan 8.230 nan 0.000 0.436 238 E N 0.499 120.713 120.200 0.024 0.000 2.085 238 E HA -0.212 4.138 4.350 -0.001 0.000 0.194 238 E C 2.342 178.921 176.600 -0.036 0.000 0.994 238 E CA 1.145 57.470 56.400 -0.125 0.000 0.801 238 E CB -0.124 29.349 29.700 -0.379 0.000 0.743 238 E HN 0.441 nan 8.360 nan 0.000 0.453 239 L N 1.009 122.219 121.223 -0.022 0.000 2.093 239 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 239 L C 2.287 179.177 176.870 0.033 0.000 1.085 239 L CA 0.606 55.443 54.840 -0.004 0.000 0.755 239 L CB -0.451 41.602 42.059 -0.010 0.000 0.904 239 L HN 0.169 nan 8.230 nan 0.000 0.435 240 N N 0.431 119.172 118.700 0.069 0.000 2.142 240 N HA -0.131 4.609 4.740 -0.001 0.000 0.186 240 N C 2.015 177.630 175.510 0.175 0.000 1.023 240 N CA 1.168 54.289 53.050 0.119 0.000 0.852 240 N CB -0.088 38.495 38.487 0.161 0.000 0.998 240 N HN 0.278 nan 8.380 nan 0.000 0.424 241 L N 0.781 122.111 121.223 0.179 0.000 2.042 241 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 241 L C 2.397 179.368 176.870 0.167 0.000 1.076 241 L CA 0.785 55.760 54.840 0.225 0.000 0.749 241 L CB -0.289 41.843 42.059 0.122 0.000 0.893 241 L HN 0.244 nan 8.230 nan 0.000 0.432 242 L N -0.326 120.945 121.223 0.080 0.000 2.007 242 L HA -0.138 4.202 4.340 -0.001 0.000 0.205 242 L C 2.587 179.468 176.870 0.017 0.000 1.073 242 L CA 1.846 56.710 54.840 0.040 0.000 0.744 242 L CB -0.849 41.216 42.059 0.010 0.000 0.898 242 L HN 0.305 nan 8.230 nan 0.000 0.435 243 E N 0.121 120.321 120.200 -0.001 0.000 2.150 243 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 243 E C 1.940 178.485 176.600 -0.091 0.000 0.985 243 E CA 0.856 57.236 56.400 -0.034 0.000 0.814 243 E CB 0.060 29.744 29.700 -0.027 0.000 0.752 243 E HN 0.478 nan 8.360 nan 0.000 0.466 244 K N -0.590 119.715 120.400 -0.159 0.000 2.313 244 K HA 0.142 4.461 4.320 -0.001 0.000 0.197 244 K C 1.250 177.406 176.600 -0.740 0.000 1.061 244 K CA 0.334 56.340 56.287 -0.468 0.000 0.980 244 K CB 0.250 32.368 32.500 -0.637 0.000 0.888 244 K HN 0.131 nan 8.250 nan 0.000 0.502 245 F N 0.206 120.157 119.950 0.000 0.000 2.724 245 F HA 0.283 4.810 4.527 -0.000 0.000 0.310 245 F C 1.045 176.839 175.800 -0.009 0.000 1.107 245 F CA -0.158 57.834 58.000 -0.014 0.000 1.218 245 F CB 0.622 39.591 39.000 -0.051 0.000 1.042 245 F HN 0.102 nan 8.300 nan 0.000 0.540 246 G N 1.387 110.240 108.800 0.089 0.000 2.269 246 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.277 246 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.277 246 G C 0.123 175.066 174.900 0.072 0.000 1.008 246 G CA 0.782 45.919 45.100 0.062 0.000 0.774 246 G HN 0.288 nan 8.290 nan 0.000 0.511 247 T N 0.503 115.113 114.554 0.094 0.000 2.771 247 T HA 0.533 4.882 4.350 -0.001 0.000 0.281 247 T C 0.523 175.250 174.700 0.045 0.000 0.982 247 T CA -0.490 61.647 62.100 0.063 0.000 0.978 247 T CB 1.715 70.616 68.868 0.055 0.000 0.930 247 T HN 0.385 nan 8.240 nan 0.000 0.447 248 K N 1.623 122.039 120.400 0.027 0.000 2.127 248 K HA 0.754 5.073 4.320 -0.001 0.000 0.240 248 K C 0.192 176.802 176.600 0.016 0.000 1.024 248 K CA -0.756 55.539 56.287 0.013 0.000 0.918 248 K CB 0.912 33.417 32.500 0.008 0.000 1.108 248 K HN 0.755 nan 8.250 nan 0.000 0.485 249 S N -1.258 114.440 115.700 -0.003 0.000 2.672 249 S HA 0.611 5.080 4.470 -0.001 0.000 0.271 249 S C -1.453 173.130 174.600 -0.030 0.000 1.171 249 S CA -0.962 57.247 58.200 0.015 0.000 0.817 249 S CB 1.580 64.816 63.200 0.060 0.000 1.150 249 S HN 0.375 nan 8.310 nan 0.000 0.478 250 V N 0.147 120.059 119.914 -0.003 0.000 3.012 250 V HA 0.662 4.781 4.120 -0.001 0.000 0.307 250 V C -1.722 174.363 176.094 -0.016 0.000 1.166 250 V CA -0.813 61.470 62.300 -0.028 0.000 0.974 250 V CB 2.204 34.026 31.823 -0.002 0.000 1.040 250 V HN 0.978 nan 8.190 nan 0.000 0.428 251 R N 5.526 125.992 120.500 -0.057 0.000 2.255 251 R HA 0.743 5.083 4.340 -0.001 0.000 0.326 251 R C -1.333 174.952 176.300 -0.026 0.000 0.986 251 R CA -0.394 55.681 56.100 -0.042 0.000 0.847 251 R CB 1.280 31.520 30.300 -0.099 0.000 1.111 251 R HN 0.595 nan 8.270 nan 0.000 0.452 252 L N 1.976 123.185 121.223 -0.024 0.000 2.408 252 L HA 0.482 4.822 4.340 -0.001 0.000 0.268 252 L C 0.487 177.298 176.870 -0.097 0.000 0.986 252 L CA -0.937 53.879 54.840 -0.040 0.000 0.820 252 L CB 2.275 44.325 42.059 -0.015 0.000 1.303 252 L HN 0.658 nan 8.230 nan 0.000 0.411 253 T N -2.545 111.952 114.554 -0.093 0.000 2.862 253 T HA 0.373 4.722 4.350 -0.001 0.000 0.276 253 T C 1.001 175.645 174.700 -0.094 0.000 0.974 253 T CA -0.416 61.584 62.100 -0.167 0.000 0.966 253 T CB 0.739 69.546 68.868 -0.102 0.000 1.072 253 T HN 0.263 nan 8.240 nan 0.000 0.538 254 F N 0.690 120.601 119.950 -0.065 0.000 2.250 254 F HA -0.019 4.508 4.527 -0.000 0.000 0.301 254 F C 2.195 177.966 175.800 -0.047 0.000 1.077 254 F CA 0.886 58.849 58.000 -0.060 0.000 1.348 254 F CB -0.956 37.977 39.000 -0.111 0.000 1.040 254 F HN 0.568 nan 8.300 nan 0.000 0.509 255 D N 0.256 120.728 120.400 0.121 0.000 2.084 255 D HA -0.160 4.479 4.640 -0.001 0.000 0.194 255 D C 1.904 178.225 176.300 0.035 0.000 0.990 255 D CA 1.539 55.573 54.000 0.057 0.000 0.826 255 D CB -0.425 40.390 40.800 0.025 0.000 0.971 255 D HN 0.227 nan 8.370 nan 0.000 0.453 256 D N 0.337 120.752 120.400 0.025 0.000 2.149 256 D HA -0.107 4.533 4.640 -0.001 0.000 0.198 256 D C 2.306 178.621 176.300 0.024 0.000 0.990 256 D CA 0.427 54.437 54.000 0.017 0.000 0.839 256 D CB -0.205 40.599 40.800 0.007 0.000 0.948 256 D HN 0.094 nan 8.370 nan 0.000 0.460 257 V N 1.938 121.882 119.914 0.050 0.000 2.295 257 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 257 V C 2.156 178.208 176.094 -0.071 0.000 1.049 257 V CA 1.488 63.818 62.300 0.051 0.000 1.024 257 V CB -0.447 31.476 31.823 0.167 0.000 0.648 257 V HN 0.168 nan 8.190 nan 0.000 0.447 258 N N 0.172 118.837 118.700 -0.058 0.000 2.223 258 N HA -0.142 4.597 4.740 -0.001 0.000 0.185 258 N C 1.485 176.933 175.510 -0.102 0.000 1.016 258 N CA 1.592 54.565 53.050 -0.128 0.000 0.863 258 N CB -0.231 38.222 38.487 -0.056 0.000 0.983 258 N HN 0.543 nan 8.380 nan 0.000 0.429 259 D N -0.088 120.287 120.400 -0.042 0.000 2.262 259 D HA 0.008 4.647 4.640 -0.001 0.000 0.212 259 D C 1.394 177.699 176.300 0.009 0.000 0.964 259 D CA 0.671 54.661 54.000 -0.016 0.000 0.875 259 D CB 0.177 40.977 40.800 -0.001 0.000 0.996 259 D HN 0.100 nan 8.370 nan 0.000 0.497 260 K N -0.243 120.172 120.400 0.024 0.000 2.354 260 K HA 0.279 4.598 4.320 -0.001 0.000 0.194 260 K C 1.002 177.682 176.600 0.132 0.000 1.038 260 K CA -0.069 56.261 56.287 0.071 0.000 1.052 260 K CB 0.666 33.203 32.500 0.061 0.000 0.861 260 K HN 0.135 nan 8.250 nan 0.000 0.535 261 L N 0.823 122.110 121.223 0.106 0.000 2.334 261 L HA 0.727 5.066 4.340 -0.001 0.000 0.270 261 L C -0.272 176.796 176.870 0.331 0.000 1.018 261 L CA -1.372 53.587 54.840 0.198 0.000 0.811 261 L CB 1.197 43.382 42.059 0.210 0.000 1.271 261 L HN 0.260 nan 8.230 nan 0.000 0.443 262 F N 0.007 120.164 119.950 0.345 0.000 2.668 262 F HA 0.726 5.253 4.527 -0.001 0.000 0.309 262 F C -1.454 174.608 175.800 0.436 0.000 1.117 262 F CA -1.043 57.201 58.000 0.407 0.000 0.951 262 F CB 1.202 40.334 39.000 0.221 0.000 1.323 262 F HN 0.138 nan 8.300 nan 0.000 0.451 263 I N 2.125 122.954 120.570 0.431 0.000 2.433 263 I HA 0.216 4.386 4.170 -0.001 0.000 0.292 263 I C -0.859 175.433 176.117 0.291 0.000 1.001 263 I CA -0.799 60.578 61.300 0.128 0.000 1.119 263 I CB 1.640 39.608 38.000 -0.052 0.000 1.289 263 I HN 0.637 nan 8.210 nan 0.000 0.438 264 D N 6.435 126.965 120.400 0.217 0.000 2.346 264 D HA -0.047 4.593 4.640 -0.001 0.000 0.260 264 D C 0.914 177.270 176.300 0.094 0.000 1.252 264 D CA -0.061 54.079 54.000 0.232 0.000 0.895 264 D CB 0.943 41.876 40.800 0.221 0.000 1.097 264 D HN 0.565 nan 8.370 nan 0.000 0.489 265 D N 3.619 124.106 120.400 0.145 0.000 2.309 265 D HA -0.202 4.438 4.640 -0.001 0.000 0.212 265 D C 0.945 177.351 176.300 0.177 0.000 0.968 265 D CA 0.880 54.979 54.000 0.165 0.000 0.882 265 D CB 0.176 41.069 40.800 0.155 0.000 0.918 265 D HN 0.433 nan 8.370 nan 0.000 0.503 266 K N -0.163 120.296 120.400 0.097 0.000 2.166 266 K HA -0.001 4.319 4.320 -0.001 0.000 0.201 266 K C 2.124 178.746 176.600 0.036 0.000 1.052 266 K CA 1.425 57.761 56.287 0.082 0.000 0.969 266 K CB 0.242 32.764 32.500 0.038 0.000 0.761 266 K HN 0.297 nan 8.250 nan 0.000 0.459 267 T N -3.938 110.555 114.554 -0.101 0.000 2.990 267 T HA 0.206 4.555 4.350 -0.001 0.000 0.250 267 T C 1.483 175.747 174.700 -0.726 0.000 1.041 267 T CA 0.464 62.385 62.100 -0.298 0.000 1.010 267 T CB 0.766 69.497 68.868 -0.229 0.000 1.003 267 T HN 0.273 nan 8.240 nan 0.000 0.499 268 G N 1.950 110.213 108.800 -0.895 0.000 2.184 268 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.264 268 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.264 268 G C 0.053 174.653 174.900 -0.499 0.000 0.975 268 G CA 0.331 44.631 45.100 -1.332 0.000 0.642 268 G HN 0.676 nan 8.290 nan 0.000 0.536 269 K N -0.144 120.088 120.400 -0.279 0.000 2.448 269 K HA 0.407 4.727 4.320 -0.001 0.000 0.278 269 K C 0.159 176.545 176.600 -0.356 0.000 1.009 269 K CA -0.493 55.680 56.287 -0.189 0.000 0.995 269 K CB 0.945 33.383 32.500 -0.105 0.000 0.917 269 K HN 0.165 nan 8.250 nan 0.000 0.481 270 L N 4.411 125.315 121.223 -0.532 0.000 2.292 270 L HA 0.424 4.764 4.340 -0.001 0.000 0.284 270 L C -1.238 175.119 176.870 -0.854 0.000 1.065 270 L CA 0.335 54.860 54.840 -0.526 0.000 0.806 270 L CB 0.111 41.966 42.059 -0.340 0.000 1.175 270 L HN 0.433 nan 8.230 nan 0.000 0.431 271 F N 4.128 123.763 119.950 -0.526 0.000 2.650 271 F HA 0.554 5.080 4.527 -0.001 0.000 0.320 271 F C -0.245 175.389 175.800 -0.277 0.000 1.091 271 F CA -0.751 56.964 58.000 -0.475 0.000 0.962 271 F CB 1.452 40.012 39.000 -0.733 0.000 1.363 271 F HN 0.139 nan 8.300 nan 0.000 0.482 272 I N 2.081 122.767 120.570 0.192 0.000 2.336 272 I HA 0.359 4.528 4.170 -0.001 0.000 0.292 272 I C 0.047 176.391 176.117 0.378 0.000 0.991 272 I CA -0.773 60.661 61.300 0.223 0.000 1.227 272 I CB 1.248 39.333 38.000 0.142 0.000 1.366 272 I HN 0.451 nan 8.210 nan 0.000 0.466 273 R N 4.901 125.649 120.500 0.413 0.000 2.758 273 R HA -0.063 4.277 4.340 -0.001 0.000 0.263 273 R C 0.383 176.788 176.300 0.175 0.000 1.010 273 R CA 0.161 56.453 56.100 0.320 0.000 1.114 273 R CB 0.139 30.543 30.300 0.173 0.000 0.985 273 R HN 0.701 nan 8.270 nan 0.000 0.439 274 D N -0.865 119.591 120.400 0.094 0.000 3.624 274 D HA -0.295 4.345 4.640 -0.001 0.000 0.198 274 D C 1.439 177.783 176.300 0.073 0.000 1.553 274 D CA 2.750 56.781 54.000 0.052 0.000 2.254 274 D CB -1.120 39.702 40.800 0.035 0.000 1.308 274 D HN 0.777 nan 8.370 nan 0.000 0.404 275 T N -1.815 112.802 114.554 0.105 0.000 2.985 275 T HA 0.032 4.381 4.350 -0.001 0.000 0.266 275 T C 0.947 175.721 174.700 0.124 0.000 1.076 275 T CA 1.843 64.001 62.100 0.096 0.000 1.135 275 T CB 0.011 68.933 68.868 0.090 0.000 0.890 275 T HN 0.541 nan 8.240 nan 0.000 0.480 276 E N 0.210 120.524 120.200 0.190 0.000 3.496 276 E HA -0.199 4.151 4.350 -0.001 0.000 0.300 276 E C -0.464 176.323 176.600 0.311 0.000 0.877 276 E CA 0.434 56.967 56.400 0.220 0.000 1.050 276 E CB -1.983 27.776 29.700 0.099 0.000 1.532 276 E HN 0.740 nan 8.360 nan 0.000 0.447 277 Q N 1.197 121.142 119.800 0.241 0.000 2.289 277 Q HA 0.168 4.508 4.340 -0.001 0.000 0.273 277 Q C 0.079 176.191 176.000 0.186 0.000 1.029 277 Q CA 0.547 56.459 55.803 0.180 0.000 0.896 277 Q CB 0.710 29.506 28.738 0.096 0.000 1.182 277 Q HN 0.183 nan 8.270 nan 0.000 0.385 278 E N 2.837 123.093 120.200 0.094 0.000 2.249 278 E HA 0.263 4.612 4.350 -0.001 0.000 0.280 278 E C -0.983 175.453 176.600 -0.274 0.000 1.016 278 E CA -0.467 55.781 56.400 -0.252 0.000 0.830 278 E CB 0.762 30.347 29.700 -0.191 0.000 1.081 278 E HN 0.489 nan 8.360 nan 0.000 0.395 279 I N 4.207 124.523 120.570 -0.423 0.000 2.312 279 I HA 0.198 4.368 4.170 -0.001 0.000 0.290 279 I C 0.705 176.472 176.117 -0.584 0.000 1.008 279 I CA -0.143 60.935 61.300 -0.370 0.000 1.226 279 I CB 1.598 39.428 38.000 -0.282 0.000 1.371 279 I HN 0.673 nan 8.210 nan 0.000 0.468 280 A N 6.070 128.495 122.820 -0.659 0.000 1.943 280 A HA 0.265 4.584 4.320 -0.001 0.000 0.213 280 A C 0.715 177.853 177.584 -0.744 0.000 1.181 280 A CA 0.675 51.994 52.037 -1.196 0.000 0.653 280 A CB 0.377 18.874 19.000 -0.838 0.000 0.833 280 A HN 0.427 nan 8.150 nan 0.000 0.451 281 V N 0.435 120.090 119.914 -0.431 0.000 2.638 281 V HA 0.382 4.502 4.120 -0.001 0.000 0.306 281 V C -0.977 174.964 176.094 -0.256 0.000 1.052 281 V CA -0.622 61.493 62.300 -0.309 0.000 0.885 281 V CB 1.883 33.550 31.823 -0.259 0.000 0.999 281 V HN 0.006 nan 8.190 nan 0.000 0.424 282 V N 5.255 125.019 119.914 -0.251 0.000 2.294 282 V HA 0.292 4.412 4.120 -0.001 0.000 0.272 282 V C -0.861 175.013 176.094 -0.367 0.000 1.027 282 V CA -0.562 61.545 62.300 -0.322 0.000 0.823 282 V CB 0.796 32.415 31.823 -0.341 0.000 1.030 282 V HN 0.754 nan 8.190 nan 0.000 0.457 283 Y N 6.406 126.399 120.300 -0.511 0.000 2.385 283 Y HA 0.514 5.063 4.550 -0.001 0.000 0.341 283 Y C -0.557 175.064 175.900 -0.465 0.000 0.965 283 Y CA -1.778 56.027 58.100 -0.492 0.000 1.180 283 Y CB 0.471 38.535 38.460 -0.660 0.000 1.139 283 Y HN 0.585 nan 8.280 nan 0.000 0.502 284 Y N 6.024 126.125 120.300 -0.332 0.000 2.359 284 Y HA 0.387 4.937 4.550 -0.001 0.000 0.334 284 Y C 0.909 176.483 175.900 -0.543 0.000 1.058 284 Y CA -0.261 57.636 58.100 -0.338 0.000 1.244 284 Y CB 0.851 39.260 38.460 -0.085 0.000 1.187 284 Y HN 0.405 nan 8.280 nan 0.000 0.510 285 R N 1.501 121.818 120.500 -0.304 0.000 2.659 285 R HA 0.258 4.598 4.340 -0.001 0.000 0.418 285 R C -0.404 175.868 176.300 -0.046 0.000 1.076 285 R CA -0.109 55.826 56.100 -0.274 0.000 1.093 285 R CB 0.791 30.894 30.300 -0.328 0.000 1.400 285 R HN 0.716 nan 8.270 nan 0.000 0.583 286 T N -2.984 111.594 114.554 0.040 0.000 2.718 286 T HA 0.433 4.783 4.350 -0.001 0.000 0.306 286 T C -0.208 174.510 174.700 0.030 0.000 1.485 286 T CA 0.485 62.590 62.100 0.009 0.000 0.997 286 T CB 1.294 69.986 68.868 -0.294 0.000 1.504 286 T HN 0.256 nan 8.240 nan 0.000 0.497 287 G N 0.783 109.482 108.800 -0.169 0.000 2.131 287 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.223 287 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.223 287 G C 0.258 175.363 174.900 0.341 0.000 0.990 287 G CA 1.003 46.086 45.100 -0.029 0.000 0.671 287 G HN 1.313 nan 8.290 nan 0.000 0.521 288 Y N -0.147 120.276 120.300 0.204 0.000 2.458 288 Y HA 0.615 5.165 4.550 -0.001 0.000 0.256 288 Y C 0.660 176.632 175.900 0.120 0.000 1.159 288 Y CA -0.127 58.128 58.100 0.258 0.000 1.261 288 Y CB -0.105 38.418 38.460 0.105 0.000 1.119 288 Y HN 0.193 nan 8.280 nan 0.000 0.524 289 T N -0.991 113.287 114.554 -0.460 0.000 2.900 289 T HA 0.128 4.478 4.350 -0.001 0.000 0.303 289 T C 0.632 174.871 174.700 -0.768 0.000 1.142 289 T CA -0.186 61.448 62.100 -0.777 0.000 1.007 289 T CB 1.815 70.361 68.868 -0.537 0.000 1.156 289 T HN 0.072 nan 8.240 nan 0.000 0.490 290 T N 1.202 115.177 114.554 -0.966 0.000 2.778 290 T HA -0.166 4.183 4.350 -0.001 0.000 0.269 290 T C 1.998 176.715 174.700 0.027 0.000 1.050 290 T CA 2.513 64.455 62.100 -0.262 0.000 1.137 290 T CB -0.762 68.048 68.868 -0.097 0.000 0.860 290 T HN 0.847 nan 8.240 nan 0.000 0.468 291 T N -1.332 113.165 114.554 -0.094 0.000 3.118 291 T HA 0.018 4.367 4.350 -0.001 0.000 0.260 291 T C 1.369 176.021 174.700 -0.080 0.000 1.139 291 T CA 0.750 62.822 62.100 -0.047 0.000 1.085 291 T CB -0.224 68.601 68.868 -0.072 0.000 0.934 291 T HN 0.289 nan 8.240 nan 0.000 0.518 292 D N 0.683 120.992 120.400 -0.153 0.000 2.269 292 D HA 0.011 4.650 4.640 -0.001 0.000 0.208 292 D C -0.402 175.710 176.300 -0.314 0.000 0.963 292 D CA 0.727 54.558 54.000 -0.282 0.000 0.864 292 D CB -0.169 40.358 40.800 -0.455 0.000 0.936 292 D HN 0.551 nan 8.370 nan 0.000 0.505 293 Y N 0.626 120.821 120.300 -0.176 0.000 2.700 293 Y HA 0.148 4.697 4.550 -0.000 0.000 0.333 293 Y C 1.800 177.617 175.900 -0.138 0.000 1.036 293 Y CA -0.616 57.269 58.100 -0.359 0.000 1.287 293 Y CB 0.645 38.486 38.460 -1.033 0.000 1.132 293 Y HN -0.182 nan 8.280 nan 0.000 0.510 294 T N -1.981 112.577 114.554 0.006 0.000 2.904 294 T HA -0.005 4.345 4.350 -0.001 0.000 0.267 294 T C 0.793 175.536 174.700 0.073 0.000 1.059 294 T CA 1.061 63.185 62.100 0.041 0.000 1.137 294 T CB -0.042 68.838 68.868 0.021 0.000 0.879 294 T HN 0.498 nan 8.240 nan 0.000 0.467 295 S N -1.086 114.657 115.700 0.071 0.000 2.720 295 S HA 0.700 5.170 4.470 -0.001 0.000 0.287 295 S C 1.036 175.746 174.600 0.183 0.000 1.168 295 S CA 0.012 58.279 58.200 0.112 0.000 0.832 295 S CB 1.048 64.291 63.200 0.071 0.000 1.166 295 S HN 0.279 nan 8.310 nan 0.000 0.493 296 E N 0.348 120.672 120.200 0.207 0.000 2.208 296 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 296 E C 1.678 178.396 176.600 0.196 0.000 0.988 296 E CA 1.448 58.017 56.400 0.281 0.000 0.828 296 E CB -0.727 29.072 29.700 0.165 0.000 0.763 296 E HN 0.669 nan 8.360 nan 0.000 0.478 297 K N -0.097 120.362 120.400 0.099 0.000 2.211 297 K HA -0.117 4.203 4.320 -0.001 0.000 0.203 297 K C 1.486 178.076 176.600 -0.018 0.000 1.050 297 K CA 1.202 57.517 56.287 0.047 0.000 0.945 297 K CB 0.020 32.537 32.500 0.029 0.000 0.732 297 K HN 0.275 nan 8.250 nan 0.000 0.451 298 D N -0.552 119.794 120.400 -0.090 0.000 2.178 298 D HA -0.136 4.504 4.640 -0.001 0.000 0.202 298 D C 1.366 177.362 176.300 -0.507 0.000 0.974 298 D CA 0.866 54.620 54.000 -0.409 0.000 0.841 298 D CB -0.102 40.440 40.800 -0.432 0.000 0.953 298 D HN 0.279 nan 8.370 nan 0.000 0.478 299 W N 1.278 122.535 121.300 -0.072 0.000 2.418 299 W HA -0.013 4.647 4.660 -0.000 0.000 0.292 299 W C 2.364 178.854 176.519 -0.049 0.000 1.213 299 W CA 0.206 57.527 57.345 -0.041 0.000 1.283 299 W CB 0.091 29.519 29.460 -0.053 0.000 1.119 299 W HN -0.121 nan 8.180 nan 0.000 0.542 300 E N 0.106 120.412 120.200 0.178 0.000 2.208 300 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 300 E C 2.185 178.867 176.600 0.136 0.000 0.988 300 E CA 1.189 57.676 56.400 0.144 0.000 0.828 300 E CB -0.529 29.237 29.700 0.109 0.000 0.763 300 E HN 0.258 nan 8.360 nan 0.000 0.478 301 A N 1.466 124.303 122.820 0.028 0.000 1.898 301 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 301 A C 2.208 179.911 177.584 0.198 0.000 1.181 301 A CA 1.734 53.815 52.037 0.073 0.000 0.620 301 A CB -0.345 18.658 19.000 0.006 0.000 0.819 301 A HN 0.070 nan 8.150 nan 0.000 0.442 302 R N -0.275 120.244 120.500 0.031 0.000 2.073 302 R HA -0.108 4.232 4.340 -0.001 0.000 0.234 302 R C 1.915 178.372 176.300 0.262 0.000 1.134 302 R CA 1.852 58.076 56.100 0.207 0.000 0.952 302 R CB -1.011 29.380 30.300 0.150 0.000 0.850 302 R HN 0.418 nan 8.270 nan 0.000 0.433 303 L N 0.067 121.423 121.223 0.222 0.000 2.042 303 L HA -0.066 4.274 4.340 -0.001 0.000 0.210 303 L C 2.097 179.091 176.870 0.207 0.000 1.076 303 L CA 1.865 56.818 54.840 0.188 0.000 0.749 303 L CB -0.907 41.244 42.059 0.154 0.000 0.893 303 L HN 0.328 nan 8.230 nan 0.000 0.432 304 F N -0.498 119.517 119.950 0.108 0.000 2.126 304 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 304 F C 1.996 177.864 175.800 0.115 0.000 1.096 304 F CA 1.911 59.975 58.000 0.107 0.000 1.255 304 F CB -0.230 38.831 39.000 0.101 0.000 0.997 304 F HN 0.081 nan 8.300 nan 0.000 0.479 305 L N -0.023 121.350 121.223 0.250 0.000 2.027 305 L HA -0.162 4.178 4.340 -0.001 0.000 0.206 305 L C 2.525 179.432 176.870 0.063 0.000 1.074 305 L CA 1.183 56.102 54.840 0.132 0.000 0.745 305 L CB -0.824 41.407 42.059 0.288 0.000 0.898 305 L HN 0.067 nan 8.230 nan 0.000 0.433 306 E N 0.566 120.855 120.200 0.148 0.000 2.209 306 E HA -0.211 4.139 4.350 -0.001 0.000 0.196 306 E C 2.064 178.699 176.600 0.059 0.000 0.993 306 E CA 1.122 57.598 56.400 0.126 0.000 0.819 306 E CB -0.074 29.715 29.700 0.148 0.000 0.745 306 E HN 0.484 nan 8.360 nan 0.000 0.477 307 K N 1.048 121.460 120.400 0.019 0.000 2.228 307 K HA -0.002 4.318 4.320 -0.001 0.000 0.202 307 K C 1.369 178.005 176.600 0.061 0.000 1.051 307 K CA 0.300 56.607 56.287 0.034 0.000 0.960 307 K CB 0.065 32.575 32.500 0.016 0.000 0.743 307 K HN 0.046 nan 8.250 nan 0.000 0.458 308 S N -0.002 115.639 115.700 -0.097 0.000 2.587 308 S HA -0.054 4.415 4.470 -0.001 0.000 0.260 308 S C 0.719 175.321 174.600 0.004 0.000 1.353 308 S CA -0.416 57.701 58.200 -0.139 0.000 0.995 308 S CB 0.288 63.326 63.200 -0.271 0.000 0.912 308 S HN 0.215 nan 8.310 nan 0.000 0.568 309 F N 1.171 121.004 119.950 -0.194 0.000 2.811 309 F HA 0.410 4.936 4.527 -0.001 0.000 0.301 309 F C 1.317 177.112 175.800 -0.009 0.000 1.151 309 F CA -0.194 57.752 58.000 -0.090 0.000 1.412 309 F CB -0.879 38.031 39.000 -0.150 0.000 1.113 309 F HN 0.800 nan 8.300 nan 0.000 0.579 310 A N 1.013 123.760 122.820 -0.121 0.000 2.425 310 A HA 0.284 4.604 4.320 -0.001 0.000 0.242 310 A C 0.237 177.677 177.584 -0.240 0.000 1.077 310 A CA -0.353 51.525 52.037 -0.266 0.000 0.781 310 A CB -0.172 18.651 19.000 -0.297 0.000 1.020 310 A HN 0.248 nan 8.150 nan 0.000 0.494 311 I N 1.719 122.137 120.570 -0.254 0.000 2.396 311 I HA 0.118 4.288 4.170 -0.001 0.000 0.289 311 I C 0.090 176.126 176.117 -0.135 0.000 1.056 311 I CA -0.143 61.057 61.300 -0.166 0.000 1.365 311 I CB 0.774 38.703 38.000 -0.118 0.000 1.407 311 I HN 0.528 nan 8.210 nan 0.000 0.509 312 K N 5.069 125.433 120.400 -0.061 0.000 2.144 312 K HA 0.623 4.943 4.320 -0.001 0.000 0.270 312 K C -0.335 176.296 176.600 0.051 0.000 1.005 312 K CA -0.279 56.023 56.287 0.025 0.000 0.932 312 K CB 1.567 34.174 32.500 0.177 0.000 1.021 312 K HN 0.665 nan 8.250 nan 0.000 0.462 313 A N 4.540 127.426 122.820 0.109 0.000 2.943 313 A HA 0.400 4.720 4.320 -0.001 0.000 0.327 313 A C -2.605 175.164 177.584 0.309 0.000 1.141 313 A CA -1.202 50.917 52.037 0.136 0.000 0.773 313 A CB 0.263 19.286 19.000 0.039 0.000 1.143 313 A HN 0.470 nan 8.150 nan 0.000 0.463 314 P HA 0.482 nan 4.420 nan 0.000 0.287 314 P C -1.063 176.408 177.300 0.286 0.000 1.292 314 P CA -0.318 62.945 63.100 0.273 0.000 0.879 314 P CB 1.759 33.636 31.700 0.295 0.000 1.214 315 D N 0.169 120.694 120.400 0.208 0.000 2.414 315 D HA 0.053 4.692 4.640 -0.001 0.000 0.251 315 D C 1.576 177.974 176.300 0.163 0.000 1.252 315 D CA -0.450 53.664 54.000 0.191 0.000 0.999 315 D CB 0.034 40.916 40.800 0.137 0.000 1.093 315 D HN 0.179 nan 8.370 nan 0.000 0.515 316 L N -0.773 120.543 121.223 0.155 0.000 1.990 316 L HA -0.202 4.138 4.340 -0.001 0.000 0.213 316 L C 2.611 179.538 176.870 0.095 0.000 1.072 316 L CA 1.138 56.055 54.840 0.128 0.000 0.755 316 L CB -0.494 41.674 42.059 0.181 0.000 0.889 316 L HN 0.372 nan 8.230 nan 0.000 0.432 317 L N -0.939 120.322 121.223 0.062 0.000 2.046 317 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 317 L C 2.638 179.579 176.870 0.118 0.000 1.077 317 L CA 1.592 56.431 54.840 -0.001 0.000 0.747 317 L CB -0.816 41.210 42.059 -0.054 0.000 0.896 317 L HN 0.328 nan 8.230 nan 0.000 0.432 318 T N -1.224 113.457 114.554 0.213 0.000 2.746 318 T HA -0.290 4.059 4.350 -0.001 0.000 0.267 318 T C 1.798 176.644 174.700 0.243 0.000 1.039 318 T CA 1.471 63.761 62.100 0.318 0.000 1.142 318 T CB -0.162 68.976 68.868 0.449 0.000 0.866 318 T HN 0.356 nan 8.240 nan 0.000 0.444 319 Q N 0.401 120.314 119.800 0.188 0.000 2.050 319 Q HA -0.059 4.281 4.340 -0.001 0.000 0.202 319 Q C 2.318 178.383 176.000 0.109 0.000 0.980 319 Q CA 1.235 57.126 55.803 0.146 0.000 0.840 319 Q CB -0.309 28.497 28.738 0.114 0.000 0.898 319 Q HN 0.479 nan 8.270 nan 0.000 0.424 320 L N 0.795 122.071 121.223 0.089 0.000 2.079 320 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 320 L C 2.682 179.583 176.870 0.050 0.000 1.081 320 L CA 1.369 56.245 54.840 0.060 0.000 0.752 320 L CB -0.599 41.498 42.059 0.063 0.000 0.896 320 L HN 0.368 nan 8.230 nan 0.000 0.433 321 S N -0.298 115.447 115.700 0.075 0.000 2.440 321 S HA -0.133 4.336 4.470 -0.001 0.000 0.238 321 S C 1.772 176.462 174.600 0.150 0.000 1.010 321 S CA 1.038 59.290 58.200 0.087 0.000 0.972 321 S CB -0.732 62.552 63.200 0.140 0.000 0.774 321 S HN 0.456 nan 8.310 nan 0.000 0.501 322 G N 0.641 109.493 108.800 0.087 0.000 3.141 322 G HA2 0.298 4.257 3.960 -0.001 0.000 0.218 322 G HA3 0.298 4.257 3.960 -0.001 0.000 0.218 322 G C 0.135 175.062 174.900 0.044 0.000 1.170 322 G CA -0.343 44.778 45.100 0.034 0.000 0.769 322 G HN 0.473 nan 8.290 nan 0.000 0.546 323 S N 0.336 116.064 115.700 0.048 0.000 2.552 323 S HA 0.352 4.821 4.470 -0.001 0.000 0.289 323 S C 1.873 176.485 174.600 0.019 0.000 1.304 323 S CA 0.361 58.581 58.200 0.034 0.000 1.063 323 S CB 1.273 64.478 63.200 0.008 0.000 0.848 323 S HN 0.627 nan 8.310 nan 0.000 0.499 324 K N 3.612 124.022 120.400 0.016 0.000 2.113 324 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 324 K C 1.909 178.496 176.600 -0.022 0.000 1.047 324 K CA 2.183 58.469 56.287 -0.002 0.000 0.928 324 K CB -0.831 31.671 32.500 0.003 0.000 0.716 324 K HN 0.688 nan 8.250 nan 0.000 0.446 325 K N -0.020 120.367 120.400 -0.022 0.000 2.009 325 K HA -0.089 4.231 4.320 -0.001 0.000 0.210 325 K C 2.188 178.755 176.600 -0.055 0.000 1.049 325 K CA 1.763 58.028 56.287 -0.038 0.000 0.929 325 K CB -0.328 32.148 32.500 -0.041 0.000 0.714 325 K HN 0.429 nan 8.250 nan 0.000 0.440 326 I N 1.117 121.653 120.570 -0.057 0.000 2.286 326 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 326 I C 2.531 178.586 176.117 -0.104 0.000 1.115 326 I CA 1.327 62.573 61.300 -0.089 0.000 1.392 326 I CB -0.266 37.680 38.000 -0.090 0.000 1.065 326 I HN 0.352 nan 8.210 nan 0.000 0.418 327 Q N 0.292 120.058 119.800 -0.055 0.000 2.096 327 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 327 Q C 2.251 178.139 176.000 -0.187 0.000 0.982 327 Q CA 1.528 57.281 55.803 -0.084 0.000 0.850 327 Q CB -0.169 28.549 28.738 -0.035 0.000 0.901 327 Q HN 0.603 nan 8.270 nan 0.000 0.422 328 Q N 0.343 120.063 119.800 -0.132 0.000 2.084 328 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 328 Q C 2.217 178.133 176.000 -0.140 0.000 0.978 328 Q CA 0.966 56.688 55.803 -0.136 0.000 0.844 328 Q CB -0.117 28.573 28.738 -0.081 0.000 0.898 328 Q HN 0.381 nan 8.270 nan 0.000 0.426 329 L N 0.394 121.554 121.223 -0.105 0.000 2.079 329 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 329 L C 2.052 178.870 176.870 -0.088 0.000 1.081 329 L CA 0.558 55.359 54.840 -0.064 0.000 0.752 329 L CB -0.262 41.784 42.059 -0.022 0.000 0.896 329 L HN 0.304 nan 8.230 nan 0.000 0.433 330 L N -0.012 121.105 121.223 -0.177 0.000 2.549 330 L HA -0.098 4.242 4.340 -0.001 0.000 0.229 330 L C 2.488 179.204 176.870 -0.258 0.000 1.158 330 L CA 1.818 56.539 54.840 -0.199 0.000 0.842 330 L CB -1.406 40.485 42.059 -0.281 0.000 0.952 330 L HN 0.475 nan 8.230 nan 0.000 0.452 331 T N -4.640 109.704 114.554 -0.349 0.000 3.148 331 T HA -0.044 4.306 4.350 -0.001 0.000 0.253 331 T C 0.780 175.457 174.700 -0.038 0.000 1.134 331 T CA -0.250 61.670 62.100 -0.300 0.000 1.051 331 T CB -0.029 68.665 68.868 -0.290 0.000 0.959 331 T HN 0.133 nan 8.240 nan 0.000 0.525 332 D N 1.585 121.968 120.400 -0.029 0.000 2.347 332 D HA 0.126 4.766 4.640 -0.001 0.000 0.235 332 D C 0.945 177.277 176.300 0.053 0.000 1.149 332 D CA -0.188 53.817 54.000 0.008 0.000 0.850 332 D CB 1.324 42.126 40.800 0.002 0.000 1.061 332 D HN 0.362 nan 8.370 nan 0.000 0.487 333 E N 2.460 122.696 120.200 0.061 0.000 2.136 333 E HA -0.240 4.109 4.350 -0.001 0.000 0.202 333 E C 1.693 178.328 176.600 0.057 0.000 1.019 333 E CA 1.695 58.136 56.400 0.068 0.000 0.819 333 E CB -0.002 29.730 29.700 0.053 0.000 0.739 333 E HN 0.714 nan 8.360 nan 0.000 0.458 334 G N -0.083 108.742 108.800 0.042 0.000 2.402 334 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.216 334 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.216 334 G C 1.628 176.567 174.900 0.065 0.000 1.162 334 G CA 0.905 46.024 45.100 0.031 0.000 0.777 334 G HN 0.233 nan 8.290 nan 0.000 0.539 335 V N 0.800 120.776 119.914 0.104 0.000 2.307 335 V HA -0.072 4.047 4.120 -0.001 0.000 0.245 335 V C 2.704 178.943 176.094 0.243 0.000 1.045 335 V CA 1.248 63.681 62.300 0.222 0.000 1.024 335 V CB -0.481 31.474 31.823 0.220 0.000 0.651 335 V HN 0.326 nan 8.190 nan 0.000 0.449 336 L N 0.551 121.871 121.223 0.163 0.000 2.012 336 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 336 L C 2.495 179.447 176.870 0.137 0.000 1.073 336 L CA 2.183 57.118 54.840 0.158 0.000 0.748 336 L CB -1.049 41.092 42.059 0.137 0.000 0.891 336 L HN 0.486 nan 8.230 nan 0.000 0.431 337 G N -0.420 108.429 108.800 0.081 0.000 2.485 337 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.221 337 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.221 337 G C 1.580 176.477 174.900 -0.006 0.000 1.115 337 G CA 0.587 45.706 45.100 0.032 0.000 0.751 337 G HN 0.386 nan 8.290 nan 0.000 0.567 338 K N -0.832 119.554 120.400 -0.023 0.000 2.283 338 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 338 K C 1.533 177.881 176.600 -0.420 0.000 1.048 338 K CA 0.837 56.998 56.287 -0.210 0.000 0.948 338 K CB -0.064 32.294 32.500 -0.236 0.000 0.742 338 K HN 0.547 nan 8.250 nan 0.000 0.458 339 Y N -0.332 119.945 120.300 -0.038 0.000 2.442 339 Y HA 0.298 4.848 4.550 -0.000 0.000 0.250 339 Y C 0.599 176.455 175.900 -0.073 0.000 1.113 339 Y CA -0.211 57.844 58.100 -0.075 0.000 1.273 339 Y CB 0.905 39.287 38.460 -0.129 0.000 1.138 339 Y HN -0.170 nan 8.280 nan 0.000 0.522 340 I N -0.582 120.020 120.570 0.053 0.000 2.500 340 I HA 0.176 4.346 4.170 -0.001 0.000 0.286 340 I C 0.229 176.339 176.117 -0.012 0.000 1.063 340 I CA -0.129 61.174 61.300 0.006 0.000 1.062 340 I CB 2.111 40.102 38.000 -0.015 0.000 1.223 340 I HN -0.130 nan 8.210 nan 0.000 0.435 341 S N 2.089 117.777 115.700 -0.020 0.000 2.371 341 S HA -0.047 4.422 4.470 -0.001 0.000 0.221 341 S C 0.584 175.170 174.600 -0.023 0.000 1.036 341 S CA 0.333 58.520 58.200 -0.022 0.000 0.965 341 S CB -0.100 63.087 63.200 -0.023 0.000 0.845 341 S HN 0.749 nan 8.310 nan 0.000 0.475 342 D N 1.776 122.160 120.400 -0.027 0.000 2.520 342 D HA 0.162 4.802 4.640 -0.001 0.000 0.243 342 D C 0.971 177.251 176.300 -0.033 0.000 1.160 342 D CA 0.371 54.354 54.000 -0.029 0.000 0.877 342 D CB 0.860 41.639 40.800 -0.034 0.000 1.150 342 D HN 0.162 nan 8.370 nan 0.000 0.494 343 A N 3.986 126.789 122.820 -0.028 0.000 1.933 343 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 343 A C 2.112 179.673 177.584 -0.038 0.000 1.175 343 A CA 2.280 54.300 52.037 -0.027 0.000 0.628 343 A CB -0.962 18.026 19.000 -0.020 0.000 0.814 343 A HN 0.705 nan 8.150 nan 0.000 0.444 344 E N 0.537 120.713 120.200 -0.040 0.000 2.028 344 E HA -0.214 4.136 4.350 -0.001 0.000 0.191 344 E C 2.028 178.585 176.600 -0.071 0.000 0.988 344 E CA 1.653 58.023 56.400 -0.050 0.000 0.799 344 E CB -0.674 29.000 29.700 -0.044 0.000 0.755 344 E HN 0.748 nan 8.360 nan 0.000 0.447 345 K N -0.271 120.084 120.400 -0.076 0.000 2.057 345 K HA -0.113 4.207 4.320 -0.001 0.000 0.207 345 K C 2.514 179.032 176.600 -0.135 0.000 1.049 345 K CA 1.379 57.600 56.287 -0.109 0.000 0.931 345 K CB -0.108 32.333 32.500 -0.099 0.000 0.714 345 K HN 0.241 nan 8.250 nan 0.000 0.440 346 K N 0.867 121.208 120.400 -0.098 0.000 2.032 346 K HA -0.168 4.151 4.320 -0.001 0.000 0.209 346 K C 2.535 179.071 176.600 -0.106 0.000 1.048 346 K CA 1.813 58.047 56.287 -0.089 0.000 0.927 346 K CB -0.189 32.286 32.500 -0.043 0.000 0.712 346 K HN 0.196 nan 8.250 nan 0.000 0.441 347 S N 0.160 115.809 115.700 -0.086 0.000 2.402 347 S HA -0.105 4.365 4.470 -0.001 0.000 0.229 347 S C 1.970 176.495 174.600 -0.125 0.000 1.021 347 S CA 1.753 59.904 58.200 -0.081 0.000 0.974 347 S CB -0.278 62.891 63.200 -0.052 0.000 0.800 347 S HN 0.181 nan 8.310 nan 0.000 0.484 348 S N 0.981 116.592 115.700 -0.149 0.000 2.383 348 S HA 0.053 4.523 4.470 -0.001 0.000 0.227 348 S C 1.813 176.256 174.600 -0.263 0.000 1.026 348 S CA 0.988 59.084 58.200 -0.173 0.000 0.981 348 S CB -0.291 62.811 63.200 -0.163 0.000 0.818 348 S HN 0.572 nan 8.310 nan 0.000 0.472 349 L N 0.890 121.887 121.223 -0.376 0.000 2.023 349 L HA -0.023 4.317 4.340 -0.001 0.000 0.205 349 L C 2.200 178.530 176.870 -0.899 0.000 1.073 349 L CA 1.009 55.465 54.840 -0.640 0.000 0.745 349 L CB -0.653 41.016 42.059 -0.650 0.000 0.900 349 L HN 0.263 nan 8.230 nan 0.000 0.435 350 L N -0.070 120.811 121.223 -0.569 0.000 2.127 350 L HA -0.252 4.088 4.340 -0.001 0.000 0.211 350 L C 2.618 179.358 176.870 -0.216 0.000 1.089 350 L CA 1.243 55.875 54.840 -0.345 0.000 0.757 350 L CB -0.526 41.509 42.059 -0.039 0.000 0.899 350 L HN 0.251 nan 8.230 nan 0.000 0.434 351 K N -0.191 120.094 120.400 -0.192 0.000 2.152 351 K HA -0.192 4.128 4.320 -0.001 0.000 0.206 351 K C 2.069 178.639 176.600 -0.049 0.000 1.048 351 K CA 1.865 58.102 56.287 -0.083 0.000 0.933 351 K CB -0.049 32.399 32.500 -0.087 0.000 0.721 351 K HN 0.457 nan 8.250 nan 0.000 0.447 352 T N -1.572 112.912 114.554 -0.116 0.000 3.081 352 T HA 0.069 4.419 4.350 -0.001 0.000 0.255 352 T C 0.443 175.269 174.700 0.211 0.000 1.113 352 T CA -0.236 61.899 62.100 0.059 0.000 1.082 352 T CB -0.102 68.885 68.868 0.198 0.000 0.939 352 T HN -0.173 nan 8.240 nan 0.000 0.506 353 F N 1.901 121.946 119.950 0.158 0.000 2.389 353 F HA 0.495 5.022 4.527 -0.001 0.000 0.337 353 F C 0.478 176.328 175.800 0.083 0.000 1.112 353 F CA -2.535 55.536 58.000 0.119 0.000 1.192 353 F CB 0.685 39.739 39.000 0.090 0.000 1.185 353 F HN -0.186 nan 8.300 nan 0.000 0.552 354 V N 5.066 125.146 119.914 0.276 0.000 2.421 354 V HA 0.054 4.174 4.120 -0.001 0.000 0.271 354 V C 0.382 176.549 176.094 0.122 0.000 1.031 354 V CA -0.683 61.714 62.300 0.163 0.000 1.032 354 V CB -0.276 31.614 31.823 0.111 0.000 1.009 354 V HN 0.438 nan 8.190 nan 0.000 0.477 355 K N 5.901 126.374 120.400 0.122 0.000 2.326 355 K HA 0.521 4.841 4.320 -0.001 0.000 0.275 355 K C -0.432 176.134 176.600 -0.057 0.000 1.018 355 K CA 0.033 56.316 56.287 -0.007 0.000 0.962 355 K CB 1.282 33.810 32.500 0.046 0.000 0.953 355 K HN 0.511 nan 8.250 nan 0.000 0.475 356 I N 2.964 123.365 120.570 -0.281 0.000 2.582 356 I HA 0.324 4.493 4.170 -0.001 0.000 0.292 356 I C -0.992 174.898 176.117 -0.379 0.000 1.066 356 I CA -1.038 60.164 61.300 -0.163 0.000 1.053 356 I CB 1.417 39.376 38.000 -0.067 0.000 1.241 356 I HN 0.415 nan 8.210 nan 0.000 0.421 357 Y N 5.635 125.950 120.300 0.025 0.000 2.512 357 Y HA 0.521 5.071 4.550 -0.001 0.000 0.348 357 Y C -2.430 173.478 175.900 0.013 0.000 0.990 357 Y CA -2.236 55.869 58.100 0.008 0.000 1.033 357 Y CB 2.027 40.466 38.460 -0.035 0.000 1.259 357 Y HN 0.307 nan 8.280 nan 0.000 0.461 358 P HA 0.329 nan 4.420 nan 0.000 0.280 358 P C -0.594 176.796 177.300 0.151 0.000 1.272 358 P CA -0.434 62.746 63.100 0.134 0.000 0.819 358 P CB 1.859 33.618 31.700 0.098 0.000 1.122 359 L N 0.683 122.003 121.223 0.160 0.000 3.096 359 L HA 0.245 4.585 4.340 -0.001 0.000 0.272 359 L C 0.305 177.290 176.870 0.191 0.000 1.311 359 L CA -0.345 54.616 54.840 0.201 0.000 0.943 359 L CB -0.273 41.951 42.059 0.275 0.000 1.348 359 L HN 0.376 nan 8.230 nan 0.000 0.562 360 D N -2.905 117.566 120.400 0.119 0.000 2.589 360 D HA 0.171 4.811 4.640 -0.001 0.000 0.268 360 D C 0.201 176.524 176.300 0.038 0.000 1.182 360 D CA -0.600 53.440 54.000 0.067 0.000 1.087 360 D CB 0.722 41.553 40.800 0.052 0.000 1.186 360 D HN -0.181 nan 8.370 nan 0.000 0.620 361 D N -0.780 119.625 120.400 0.008 0.000 2.358 361 D HA 0.074 4.714 4.640 -0.001 0.000 0.224 361 D C 0.248 176.552 176.300 0.005 0.000 1.123 361 D CA 0.184 54.181 54.000 -0.004 0.000 0.833 361 D CB 0.001 40.783 40.800 -0.030 0.000 0.946 361 D HN 0.509 nan 8.370 nan 0.000 0.505 362 T N -2.540 112.025 114.554 0.019 0.000 2.726 362 T HA 0.015 4.364 4.350 -0.001 0.000 0.294 362 T C 1.504 176.221 174.700 0.029 0.000 1.013 362 T CA -0.427 61.685 62.100 0.021 0.000 0.996 362 T CB 2.083 70.967 68.868 0.027 0.000 1.016 362 T HN -0.190 nan 8.240 nan 0.000 0.529 363 K N -0.187 120.230 120.400 0.029 0.000 2.009 363 K HA -0.098 4.222 4.320 -0.001 0.000 0.210 363 K C 2.300 178.935 176.600 0.059 0.000 1.049 363 K CA 1.555 57.863 56.287 0.035 0.000 0.929 363 K CB -1.289 31.230 32.500 0.031 0.000 0.714 363 K HN 0.625 nan 8.250 nan 0.000 0.440 364 L N 0.648 121.918 121.223 0.078 0.000 2.083 364 L HA 0.134 4.474 4.340 -0.001 0.000 0.209 364 L C 2.462 179.422 176.870 0.150 0.000 1.083 364 L CA 2.428 57.350 54.840 0.136 0.000 0.752 364 L CB -1.182 40.955 42.059 0.129 0.000 0.899 364 L HN 0.460 nan 8.230 nan 0.000 0.433 365 G N -1.014 107.848 108.800 0.104 0.000 2.432 365 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 365 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 365 G C 1.744 176.685 174.900 0.068 0.000 1.135 365 G CA 0.636 45.794 45.100 0.098 0.000 0.767 365 G HN 0.381 nan 8.290 nan 0.000 0.550 366 R N -0.014 120.513 120.500 0.046 0.000 2.092 366 R HA 0.017 4.357 4.340 -0.001 0.000 0.231 366 R C 2.391 178.691 176.300 0.000 0.000 1.119 366 R CA 1.136 57.251 56.100 0.024 0.000 0.970 366 R CB -0.233 30.075 30.300 0.014 0.000 0.864 366 R HN 0.487 nan 8.270 nan 0.000 0.440 367 E N 0.181 120.379 120.200 -0.004 0.000 2.072 367 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 367 E C 2.012 178.474 176.600 -0.231 0.000 0.985 367 E CA 1.143 57.498 56.400 -0.074 0.000 0.801 367 E CB -0.112 29.583 29.700 -0.009 0.000 0.750 367 E HN 0.396 nan 8.360 nan 0.000 0.452 368 G N 1.429 110.118 108.800 -0.185 0.000 2.459 368 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.217 368 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.217 368 G C 1.533 176.307 174.900 -0.210 0.000 1.183 368 G CA 0.980 45.903 45.100 -0.295 0.000 0.776 368 G HN 0.187 nan 8.290 nan 0.000 0.552 369 K N 0.075 120.456 120.400 -0.032 0.000 2.063 369 K HA -0.050 4.270 4.320 -0.001 0.000 0.208 369 K C 2.731 179.332 176.600 0.001 0.000 1.048 369 K CA 0.931 57.261 56.287 0.072 0.000 0.928 369 K CB -0.178 32.456 32.500 0.223 0.000 0.713 369 K HN 0.189 nan 8.250 nan 0.000 0.442 370 R N 0.715 121.189 120.500 -0.043 0.000 2.096 370 R HA -0.067 4.273 4.340 -0.001 0.000 0.235 370 R C 2.360 178.605 176.300 -0.092 0.000 1.127 370 R CA 1.072 57.144 56.100 -0.046 0.000 0.968 370 R CB -0.310 29.964 30.300 -0.044 0.000 0.861 370 R HN 0.177 nan 8.270 nan 0.000 0.440 371 L N -0.158 120.943 121.223 -0.203 0.000 2.109 371 L HA -0.046 4.293 4.340 -0.001 0.000 0.207 371 L C 2.661 179.398 176.870 -0.221 0.000 1.086 371 L CA 0.898 55.599 54.840 -0.231 0.000 0.760 371 L CB -0.547 41.224 42.059 -0.481 0.000 0.910 371 L HN 0.195 nan 8.230 nan 0.000 0.437 372 A N 0.270 122.911 122.820 -0.298 0.000 1.978 372 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 372 A C 2.156 179.674 177.584 -0.110 0.000 1.170 372 A CA 1.592 53.487 52.037 -0.236 0.000 0.636 372 A CB -0.539 18.302 19.000 -0.264 0.000 0.810 372 A HN 0.431 nan 8.150 nan 0.000 0.448 373 L N -0.486 120.696 121.223 -0.069 0.000 2.463 373 L HA 0.015 4.354 4.340 -0.001 0.000 0.219 373 L C 2.563 179.436 176.870 0.005 0.000 1.088 373 L CA 0.948 55.776 54.840 -0.021 0.000 0.849 373 L CB -0.026 42.043 42.059 0.017 0.000 1.012 373 L HN 0.508 nan 8.230 nan 0.000 0.468 374 S N -0.816 114.888 115.700 0.006 0.000 2.441 374 S HA 0.059 4.528 4.470 -0.001 0.000 0.224 374 S C 0.920 175.549 174.600 0.048 0.000 1.043 374 S CA -0.034 58.180 58.200 0.024 0.000 0.948 374 S CB 0.074 63.284 63.200 0.017 0.000 0.810 374 S HN 0.404 nan 8.310 nan 0.000 0.504 375 E N 1.923 122.176 120.200 0.089 0.000 4.129 375 E HA 0.218 4.568 4.350 -0.001 0.000 0.222 375 E C -2.223 174.510 176.600 0.223 0.000 1.179 375 E CA -1.683 54.799 56.400 0.136 0.000 1.334 375 E CB 1.416 31.215 29.700 0.165 0.000 1.202 375 E HN 0.366 nan 8.360 nan 0.000 0.428 376 P HA -0.193 nan 4.420 nan 0.000 0.216 376 P C 1.200 178.597 177.300 0.161 0.000 1.150 376 P CA 1.207 64.406 63.100 0.166 0.000 0.843 376 P CB 0.302 32.040 31.700 0.062 0.000 0.787 377 S N -0.099 115.648 115.700 0.079 0.000 2.493 377 S HA -0.087 4.383 4.470 -0.001 0.000 0.243 377 S C 1.639 176.220 174.600 -0.031 0.000 0.991 377 S CA 1.070 59.290 58.200 0.034 0.000 0.957 377 S CB -0.600 62.609 63.200 0.017 0.000 0.756 377 S HN 0.364 nan 8.310 nan 0.000 0.521 378 K N -0.316 120.003 120.400 -0.135 0.000 2.426 378 K HA 0.137 4.457 4.320 -0.001 0.000 0.193 378 K C -0.532 175.662 176.600 -0.676 0.000 1.028 378 K CA 0.460 56.461 56.287 -0.477 0.000 1.047 378 K CB 0.265 32.295 32.500 -0.784 0.000 0.821 378 K HN 0.380 nan 8.250 nan 0.000 0.513 379 Y N -1.870 118.449 120.300 0.032 0.000 2.705 379 Y HA 0.498 5.048 4.550 -0.000 0.000 0.332 379 Y C -0.587 175.299 175.900 -0.024 0.000 1.157 379 Y CA -1.414 56.698 58.100 0.021 0.000 1.091 379 Y CB 1.269 39.737 38.460 0.014 0.000 1.301 379 Y HN -0.408 nan 8.280 nan 0.000 0.488 380 V N 1.969 121.954 119.914 0.119 0.000 2.709 380 V HA 0.585 4.704 4.120 -0.001 0.000 0.308 380 V C -1.846 174.169 176.094 -0.131 0.000 1.062 380 V CA -0.870 61.337 62.300 -0.155 0.000 0.901 380 V CB 1.864 33.510 31.823 -0.296 0.000 1.003 380 V HN 0.621 nan 8.190 nan 0.000 0.425 381 L N 6.970 128.051 121.223 -0.238 0.000 2.255 381 L HA 0.573 4.912 4.340 -0.001 0.000 0.289 381 L C -0.044 176.776 176.870 -0.083 0.000 1.046 381 L CA 0.330 55.077 54.840 -0.154 0.000 0.816 381 L CB 0.731 42.620 42.059 -0.283 0.000 1.197 381 L HN 0.656 nan 8.230 nan 0.000 0.427 382 K N 5.931 126.355 120.400 0.040 0.000 2.207 382 K HA 0.587 4.906 4.320 -0.001 0.000 0.255 382 K C -2.509 174.159 176.600 0.113 0.000 0.941 382 K CA -1.799 54.521 56.287 0.056 0.000 0.825 382 K CB 1.505 34.002 32.500 -0.004 0.000 1.119 382 K HN 0.304 nan 8.250 nan 0.000 0.430 383 P HA 0.084 nan 4.420 nan 0.000 0.278 383 P C -0.779 176.427 177.300 -0.156 0.000 1.238 383 P CA -0.339 62.586 63.100 -0.292 0.000 0.794 383 P CB 0.756 32.276 31.700 -0.300 0.000 0.955 390 N N 1.614 120.348 118.700 0.057 0.000 2.445 390 N HA 0.457 5.196 4.740 -0.001 0.000 0.264 390 N C -0.305 175.201 175.510 -0.007 0.000 1.227 390 N CA -0.368 52.702 53.050 0.032 0.000 0.963 390 N CB 0.560 39.064 38.487 0.029 0.000 1.188 390 N HN 0.147 nan 8.380 nan 0.000 0.491 391 N N -0.426 118.254 118.700 -0.033 0.000 2.483 391 N HA 0.278 5.017 4.740 -0.001 0.000 0.269 391 N C -1.024 174.305 175.510 -0.302 0.000 1.209 391 N CA -0.220 52.715 53.050 -0.191 0.000 0.969 391 N CB 0.860 39.147 38.487 -0.334 0.000 1.173 391 N HN 0.101 nan 8.380 nan 0.000 0.475 392 V N 2.149 121.775 119.914 -0.480 0.000 2.444 392 V HA 0.291 4.411 4.120 -0.001 0.000 0.294 392 V C -0.983 174.872 176.094 -0.399 0.000 1.022 392 V CA -0.675 61.358 62.300 -0.444 0.000 0.850 392 V CB 0.326 31.705 31.823 -0.740 0.000 0.992 392 V HN 0.451 nan 8.190 nan 0.000 0.426 393 Y N 4.069 124.300 120.300 -0.115 0.000 2.323 393 Y HA 0.476 5.025 4.550 -0.000 0.000 0.331 393 Y C 1.096 176.974 175.900 -0.036 0.000 1.092 393 Y CA -0.651 57.416 58.100 -0.055 0.000 1.150 393 Y CB 1.117 39.555 38.460 -0.036 0.000 1.200 393 Y HN 0.692 nan 8.280 nan 0.000 0.472 394 K N 0.081 120.556 120.400 0.125 0.000 1.691 394 K HA -0.422 3.898 4.320 -0.001 0.000 0.123 394 K C 1.659 178.293 176.600 0.057 0.000 1.045 394 K CA 1.921 58.264 56.287 0.094 0.000 0.330 394 K CB -0.988 31.570 32.500 0.097 0.000 0.652 394 K HN 0.753 nan 8.250 nan 0.000 0.869 395 E N 1.837 122.067 120.200 0.050 0.000 2.396 395 E HA -0.170 4.180 4.350 -0.001 0.000 0.200 395 E C 1.444 178.059 176.600 0.026 0.000 1.023 395 E CA 1.854 58.274 56.400 0.034 0.000 0.857 395 E CB -0.702 29.016 29.700 0.029 0.000 0.775 395 E HN 0.437 nan 8.360 nan 0.000 0.525 396 N N -0.421 118.294 118.700 0.025 0.000 2.422 396 N HA 0.122 4.861 4.740 -0.001 0.000 0.181 396 N C 1.758 177.270 175.510 0.003 0.000 1.080 396 N CA 0.475 53.535 53.050 0.017 0.000 0.893 396 N CB 0.159 38.654 38.487 0.013 0.000 0.973 396 N HN 0.494 nan 8.380 nan 0.000 0.456 397 I N 1.861 122.414 120.570 -0.029 0.000 2.127 397 I HA -0.206 3.964 4.170 -0.001 0.000 0.241 397 I C -0.615 175.463 176.117 -0.063 0.000 1.075 397 I CA 1.525 62.783 61.300 -0.070 0.000 1.334 397 I CB -1.415 36.530 38.000 -0.091 0.000 1.040 397 I HN 0.029 nan 8.210 nan 0.000 0.405 398 P HA -0.151 nan 4.420 nan 0.000 0.213 398 P C 1.151 178.430 177.300 -0.035 0.000 1.170 398 P CA 1.641 64.704 63.100 -0.062 0.000 0.902 398 P CB -0.082 31.606 31.700 -0.020 0.000 0.789 399 N N -1.710 116.995 118.700 0.008 0.000 2.094 399 N HA -0.190 4.549 4.740 -0.001 0.000 0.191 399 N C 1.420 176.944 175.510 0.024 0.000 1.023 399 N CA 1.006 54.070 53.050 0.023 0.000 0.857 399 N CB -0.967 37.544 38.487 0.041 0.000 1.013 399 N HN 0.034 nan 8.380 nan 0.000 0.426 400 F N 0.996 120.874 119.950 -0.120 0.000 2.075 400 F HA -0.041 4.486 4.527 -0.001 0.000 0.297 400 F C 1.800 177.480 175.800 -0.201 0.000 1.113 400 F CA 1.227 59.134 58.000 -0.156 0.000 1.218 400 F CB -0.348 38.522 39.000 -0.217 0.000 0.984 400 F HN -0.002 nan 8.300 nan 0.000 0.472 401 L N 0.407 121.458 121.223 -0.287 0.000 2.201 401 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 401 L C 2.752 179.570 176.870 -0.086 0.000 1.105 401 L CA 1.442 55.958 54.840 -0.540 0.000 0.775 401 L CB -1.280 40.128 42.059 -1.086 0.000 0.913 401 L HN 0.222 nan 8.230 nan 0.000 0.440 402 K N 0.588 120.969 120.400 -0.031 0.000 2.280 402 K HA -0.029 4.291 4.320 -0.001 0.000 0.202 402 K C 1.859 178.484 176.600 0.041 0.000 1.047 402 K CA 1.315 57.650 56.287 0.079 0.000 0.942 402 K CB -1.238 31.286 32.500 0.041 0.000 0.739 402 K HN 0.497 nan 8.250 nan 0.000 0.457 403 G N -0.144 108.615 108.800 -0.069 0.000 3.141 403 G HA2 0.396 4.355 3.960 -0.001 0.000 0.218 403 G HA3 0.396 4.355 3.960 -0.001 0.000 0.218 403 G C 0.254 175.109 174.900 -0.076 0.000 1.170 403 G CA -0.103 44.945 45.100 -0.086 0.000 0.769 403 G HN 0.457 nan 8.290 nan 0.000 0.546 404 I N 0.177 120.756 120.570 0.015 0.000 2.545 404 I HA 0.248 4.418 4.170 -0.001 0.000 0.292 404 I C -0.430 175.871 176.117 0.307 0.000 1.040 404 I CA -0.904 60.482 61.300 0.143 0.000 1.068 404 I CB 2.590 40.651 38.000 0.102 0.000 1.251 404 I HN -0.045 nan 8.210 nan 0.000 0.424 405 E N 3.796 124.113 120.200 0.196 0.000 2.414 405 E HA -0.070 4.280 4.350 -0.001 0.000 0.263 405 E C 0.697 177.108 176.600 -0.314 0.000 1.000 405 E CA 0.202 56.602 56.400 0.001 0.000 0.914 405 E CB 0.891 30.602 29.700 0.019 0.000 0.948 405 E HN 0.564 nan 8.360 nan 0.000 0.444 406 E N 2.920 122.685 120.200 -0.724 0.000 2.160 406 E HA -0.310 4.040 4.350 -0.001 0.000 0.195 406 E C 2.260 178.372 176.600 -0.814 0.000 0.991 406 E CA 1.578 57.067 56.400 -1.518 0.000 0.810 406 E CB 0.116 29.099 29.700 -1.194 0.000 0.742 406 E HN 0.541 nan 8.360 nan 0.000 0.466 407 R N 0.268 120.458 120.500 -0.516 0.000 2.193 407 R HA -0.124 4.216 4.340 -0.001 0.000 0.229 407 R C 1.628 177.729 176.300 -0.332 0.000 1.110 407 R CA 1.779 57.629 56.100 -0.417 0.000 0.988 407 R CB -1.155 28.855 30.300 -0.484 0.000 0.871 407 R HN 0.385 nan 8.270 nan 0.000 0.458 408 H N -2.328 116.745 119.070 0.005 0.000 2.551 408 H HA 0.055 4.610 4.556 -0.001 0.000 0.271 408 H C 0.950 176.479 175.328 0.335 0.000 0.984 408 H CA -0.455 55.679 56.048 0.143 0.000 1.164 408 H CB 0.123 29.969 29.762 0.139 0.000 1.437 408 H HN 0.515 nan 8.280 nan 0.000 0.550 409 W N 2.231 123.620 121.300 0.149 0.000 2.392 409 W HA -0.116 4.543 4.660 -0.000 0.000 0.279 409 W C 1.557 178.204 176.519 0.214 0.000 1.225 409 W CA 1.074 58.519 57.345 0.166 0.000 1.233 409 W CB -0.501 29.002 29.460 0.072 0.000 1.122 409 W HN 0.332 nan 8.180 nan 0.000 0.561 410 D N -0.483 120.136 120.400 0.365 0.000 2.348 410 D HA 0.010 4.650 4.640 -0.001 0.000 0.248 410 D C 1.586 178.005 176.300 0.199 0.000 1.142 410 D CA 0.855 55.001 54.000 0.243 0.000 0.904 410 D CB -0.668 40.224 40.800 0.152 0.000 0.901 410 D HN 0.081 nan 8.370 nan 0.000 0.523 411 A N -0.869 122.108 122.820 0.261 0.000 2.169 411 A HA 0.126 4.446 4.320 -0.001 0.000 0.212 411 A C 0.013 177.510 177.584 -0.146 0.000 1.153 411 A CA 0.286 52.362 52.037 0.065 0.000 0.756 411 A CB -0.168 18.884 19.000 0.086 0.000 0.813 411 A HN 0.235 nan 8.150 nan 0.000 0.471 412 Y N -1.035 119.330 120.300 0.108 0.000 2.630 412 Y HA 0.676 5.226 4.550 -0.001 0.000 0.337 412 Y C 0.012 175.945 175.900 0.054 0.000 1.051 412 Y CA -1.540 56.599 58.100 0.065 0.000 1.121 412 Y CB 1.206 39.700 38.460 0.055 0.000 1.299 412 Y HN 0.195 nan 8.280 nan 0.000 0.498 413 I N -0.208 120.480 120.570 0.196 0.000 2.785 413 I HA 0.677 4.846 4.170 -0.001 0.000 0.302 413 I C -1.776 174.403 176.117 0.103 0.000 1.069 413 I CA -1.270 60.106 61.300 0.128 0.000 1.045 413 I CB 2.263 40.312 38.000 0.083 0.000 1.236 413 I HN 0.407 nan 8.210 nan 0.000 0.429 414 L N 4.818 126.098 121.223 0.095 0.000 2.272 414 L HA 0.599 4.939 4.340 -0.001 0.000 0.289 414 L C -0.681 176.289 176.870 0.166 0.000 1.032 414 L CA -0.239 54.636 54.840 0.058 0.000 0.810 414 L CB 1.366 43.375 42.059 -0.083 0.000 1.205 414 L HN 0.788 nan 8.230 nan 0.000 0.422 415 M N 3.747 123.459 119.600 0.186 0.000 2.383 415 M HA 0.392 4.872 4.480 -0.001 0.000 0.325 415 M C -0.470 176.044 176.300 0.357 0.000 1.092 415 M CA -0.582 54.854 55.300 0.226 0.000 0.961 415 M CB 1.688 34.355 32.600 0.111 0.000 1.672 415 M HN 0.625 nan 8.290 nan 0.000 0.438 416 E N 2.575 122.992 120.200 0.361 0.000 2.376 416 E HA 0.152 4.502 4.350 -0.001 0.000 0.266 416 E C -1.465 175.189 176.600 0.090 0.000 1.009 416 E CA -0.212 56.322 56.400 0.225 0.000 0.902 416 E CB 0.804 30.624 29.700 0.199 0.000 0.972 416 E HN 0.436 nan 8.360 nan 0.000 0.439 417 L N 5.336 126.557 121.223 -0.003 0.000 2.309 417 L HA 0.389 4.729 4.340 -0.001 0.000 0.282 417 L C -0.503 176.373 176.870 0.011 0.000 1.036 417 L CA -0.188 54.669 54.840 0.027 0.000 0.806 417 L CB 1.429 43.510 42.059 0.036 0.000 1.220 417 L HN 0.514 nan 8.230 nan 0.000 0.429 418 I N 3.914 124.507 120.570 0.039 0.000 2.315 418 I HA 0.250 4.420 4.170 -0.001 0.000 0.291 418 I C -0.175 175.961 176.117 0.033 0.000 1.006 418 I CA -0.311 61.012 61.300 0.038 0.000 1.265 418 I CB 0.785 38.818 38.000 0.054 0.000 1.387 418 I HN 0.547 nan 8.210 nan 0.000 0.475 419 E N 8.656 128.870 120.200 0.024 0.000 2.489 419 E HA 0.271 4.621 4.350 -0.001 0.000 0.232 419 E C -2.412 174.204 176.600 0.026 0.000 0.990 419 E CA -1.783 54.629 56.400 0.020 0.000 0.768 419 E CB 1.156 30.862 29.700 0.009 0.000 1.270 419 E HN 0.338 nan 8.360 nan 0.000 0.423 420 P HA -0.058 nan 4.420 nan 0.000 0.269 420 P C -0.170 177.151 177.300 0.035 0.000 1.215 420 P CA -0.101 63.023 63.100 0.040 0.000 0.780 420 P CB 1.051 32.775 31.700 0.041 0.000 0.898 421 E N 1.965 122.192 120.200 0.045 0.000 2.129 421 E HA 0.142 4.492 4.350 -0.001 0.000 0.283 421 E C -0.723 175.896 176.600 0.031 0.000 1.080 421 E CA -0.641 55.784 56.400 0.041 0.000 0.867 421 E CB 0.240 29.979 29.700 0.065 0.000 1.056 421 E HN 0.292 nan 8.360 nan 0.000 0.404 422 L N 5.002 126.235 121.223 0.016 0.000 2.349 422 L HA 0.180 4.520 4.340 -0.001 0.000 0.275 422 L C 0.451 177.320 176.870 -0.001 0.000 1.115 422 L CA 0.240 55.086 54.840 0.009 0.000 0.820 422 L CB 0.831 42.892 42.059 0.003 0.000 1.135 422 L HN 0.466 nan 8.230 nan 0.000 0.445 423 N N 2.552 121.253 118.700 0.001 0.000 2.437 423 N HA 0.180 4.920 4.740 -0.001 0.000 0.259 423 N C 0.054 175.556 175.510 -0.013 0.000 0.983 423 N CA -0.350 52.692 53.050 -0.013 0.000 0.937 423 N CB 0.813 39.299 38.487 -0.003 0.000 1.122 423 N HN 0.678 nan 8.380 nan 0.000 0.499 424 E N 2.165 122.348 120.200 -0.028 0.000 2.460 424 E HA 0.015 4.365 4.350 -0.001 0.000 0.200 424 E C -0.370 176.208 176.600 -0.036 0.000 1.011 424 E CA 0.184 56.569 56.400 -0.024 0.000 0.912 424 E CB 0.166 29.850 29.700 -0.028 0.000 0.953 424 E HN 0.592 nan 8.360 nan 0.000 0.494 425 N N 1.650 120.313 118.700 -0.062 0.000 2.558 425 N HA 0.098 4.837 4.740 -0.001 0.000 0.281 425 N C -0.764 174.679 175.510 -0.112 0.000 1.219 425 N CA -0.075 52.912 53.050 -0.105 0.000 0.942 425 N CB 0.210 38.605 38.487 -0.154 0.000 1.241 425 N HN -0.032 nan 8.380 nan 0.000 0.511 426 N N 0.406 119.096 118.700 -0.017 0.000 2.321 426 N HA 0.517 5.257 4.740 -0.001 0.000 0.290 426 N C -1.490 174.101 175.510 0.134 0.000 1.212 426 N CA -0.508 52.588 53.050 0.076 0.000 0.767 426 N CB 1.926 40.460 38.487 0.079 0.000 1.494 426 N HN -0.063 nan 8.380 nan 0.000 0.479 427 I N 2.010 122.713 120.570 0.222 0.000 2.436 427 I HA 0.429 4.598 4.170 -0.001 0.000 0.289 427 I C -0.107 176.107 176.117 0.162 0.000 1.010 427 I CA -0.626 60.784 61.300 0.182 0.000 1.098 427 I CB 1.967 40.083 38.000 0.195 0.000 1.266 427 I HN 0.319 nan 8.210 nan 0.000 0.434 428 I N 6.469 127.146 120.570 0.179 0.000 2.315 428 I HA 0.236 4.406 4.170 -0.001 0.000 0.291 428 I C -0.651 175.605 176.117 0.231 0.000 1.006 428 I CA -0.682 60.724 61.300 0.176 0.000 1.265 428 I CB 1.627 39.711 38.000 0.140 0.000 1.387 428 I HN 0.327 nan 8.210 nan 0.000 0.475 429 L N 8.591 129.912 121.223 0.164 0.000 2.272 429 L HA 0.490 4.830 4.340 -0.001 0.000 0.289 429 L C -0.369 176.594 176.870 0.155 0.000 1.032 429 L CA 0.059 54.991 54.840 0.152 0.000 0.810 429 L CB 0.595 42.713 42.059 0.099 0.000 1.205 429 L HN 0.560 nan 8.230 nan 0.000 0.422 430 R N 4.085 124.709 120.500 0.207 0.000 2.512 430 R HA 0.223 4.563 4.340 -0.001 0.000 0.291 430 R C -0.731 175.671 176.300 0.172 0.000 1.097 430 R CA -0.373 55.831 56.100 0.173 0.000 0.940 430 R CB 0.883 31.281 30.300 0.163 0.000 1.198 430 R HN 0.743 nan 8.270 nan 0.000 0.429 431 D N 3.154 123.622 120.400 0.114 0.000 2.708 431 D HA -0.231 4.408 4.640 -0.001 0.000 0.236 431 D C -0.053 176.295 176.300 0.080 0.000 1.146 431 D CA 1.791 55.848 54.000 0.094 0.000 0.662 431 D CB -0.863 39.997 40.800 0.100 0.000 1.059 431 D HN 0.951 nan 8.370 nan 0.000 0.428 432 N N -1.496 117.246 118.700 0.070 0.000 2.936 432 N HA -0.236 4.504 4.740 -0.001 0.000 0.236 432 N C -1.030 174.493 175.510 0.021 0.000 0.930 432 N CA 1.809 54.885 53.050 0.044 0.000 0.966 432 N CB -0.384 38.123 38.487 0.033 0.000 1.090 432 N HN 0.607 nan 8.380 nan 0.000 0.592 433 K N 0.326 120.745 120.400 0.033 0.000 2.138 433 K HA 0.509 4.828 4.320 -0.001 0.000 0.263 433 K C -0.248 176.271 176.600 -0.135 0.000 0.965 433 K CA -0.364 55.870 56.287 -0.088 0.000 0.868 433 K CB 1.565 34.003 32.500 -0.104 0.000 1.083 433 K HN 0.287 nan 8.250 nan 0.000 0.443 434 S N 1.666 117.201 115.700 -0.274 0.000 2.475 434 S HA 0.512 4.981 4.470 -0.001 0.000 0.298 434 S C -1.021 173.345 174.600 -0.391 0.000 1.119 434 S CA -0.809 57.290 58.200 -0.168 0.000 1.085 434 S CB 0.447 63.614 63.200 -0.055 0.000 1.028 434 S HN 0.443 nan 8.310 nan 0.000 0.489 435 Y N -0.016 120.307 120.300 0.038 0.000 2.338 435 Y HA 0.545 5.095 4.550 -0.000 0.000 0.333 435 Y C 0.843 176.766 175.900 0.037 0.000 0.968 435 Y CA -0.775 57.344 58.100 0.033 0.000 1.123 435 Y CB 1.318 39.796 38.460 0.029 0.000 1.165 435 Y HN 0.898 nan 8.280 nan 0.000 0.452 436 N N 2.970 121.758 118.700 0.145 0.000 3.170 436 N HA 0.311 5.050 4.740 -0.001 0.000 0.305 436 N C -0.390 175.170 175.510 0.084 0.000 1.499 436 N CA -0.412 52.697 53.050 0.098 0.000 1.110 436 N CB 0.117 38.638 38.487 0.056 0.000 1.390 436 N HN 0.674 nan 8.380 nan 0.000 0.508 437 E N 0.211 120.470 120.200 0.098 0.000 2.249 437 E HA 0.394 4.744 4.350 -0.001 0.000 0.263 437 E C -2.557 174.067 176.600 0.041 0.000 0.950 437 E CA -1.915 54.523 56.400 0.064 0.000 0.827 437 E CB 1.723 31.465 29.700 0.070 0.000 1.220 437 E HN 0.276 nan 8.360 nan 0.000 0.411 438 P HA 0.044 nan 4.420 nan 0.000 0.264 438 P C -0.771 176.537 177.300 0.014 0.000 1.193 438 P CA 0.469 63.577 63.100 0.013 0.000 0.763 438 P CB 0.138 31.841 31.700 0.006 0.000 0.810 439 I N 0.704 121.283 120.570 0.015 0.000 2.689 439 I HA 0.611 4.780 4.170 -0.001 0.000 0.299 439 I C -0.779 175.348 176.117 0.016 0.000 1.059 439 I CA -1.343 59.966 61.300 0.015 0.000 1.055 439 I CB 2.420 40.434 38.000 0.023 0.000 1.243 439 I HN 0.208 nan 8.210 nan 0.000 0.425 440 I N 3.774 124.353 120.570 0.015 0.000 2.412 440 I HA 0.532 4.701 4.170 -0.001 0.000 0.296 440 I C -0.715 175.417 176.117 0.025 0.000 0.987 440 I CA -0.091 61.221 61.300 0.021 0.000 1.180 440 I CB 1.789 39.800 38.000 0.018 0.000 1.340 440 I HN 0.761 nan 8.210 nan 0.000 0.455 441 S N 5.818 121.540 115.700 0.037 0.000 2.513 441 S HA 0.382 4.851 4.470 -0.001 0.000 0.299 441 S C -0.884 173.748 174.600 0.053 0.000 1.087 441 S CA -0.612 57.613 58.200 0.042 0.000 1.012 441 S CB 1.677 64.909 63.200 0.052 0.000 1.044 441 S HN 0.667 nan 8.310 nan 0.000 0.485 442 E N 1.883 122.110 120.200 0.045 0.000 2.133 442 E HA 0.418 4.767 4.350 -0.001 0.000 0.274 442 E C -1.324 175.318 176.600 0.070 0.000 0.930 442 E CA -0.753 55.677 56.400 0.050 0.000 0.770 442 E CB 0.798 30.508 29.700 0.017 0.000 1.104 442 E HN 0.414 nan 8.360 nan 0.000 0.403 443 L N 4.407 125.702 121.223 0.121 0.000 2.281 443 L HA 0.530 4.870 4.340 -0.001 0.000 0.285 443 L C -0.168 176.784 176.870 0.136 0.000 1.074 443 L CA 0.172 55.111 54.840 0.165 0.000 0.817 443 L CB 1.110 43.310 42.059 0.235 0.000 1.168 443 L HN 0.534 nan 8.230 nan 0.000 0.434 444 G N 6.390 115.225 108.800 0.059 0.000 2.416 444 G HA2 0.607 4.567 3.960 -0.001 0.000 0.324 444 G HA3 0.607 4.567 3.960 -0.001 0.000 0.324 444 G C -0.999 173.848 174.900 -0.088 0.000 1.194 444 G CA -0.467 44.577 45.100 -0.094 0.000 0.922 444 G HN 0.467 nan 8.290 nan 0.000 0.467 445 I N 2.539 123.052 120.570 -0.095 0.000 2.411 445 I HA 0.249 4.418 4.170 -0.001 0.000 0.284 445 I C -0.643 175.426 176.117 -0.081 0.000 1.012 445 I CA -1.183 60.146 61.300 0.050 0.000 1.119 445 I CB 0.991 39.154 38.000 0.272 0.000 1.261 445 I HN 0.420 nan 8.210 nan 0.000 0.448 446 Y N 3.925 124.250 120.300 0.041 0.000 2.326 446 Y HA 0.558 5.108 4.550 -0.001 0.000 0.333 446 Y C 1.241 177.134 175.900 -0.010 0.000 1.240 446 Y CA 0.041 58.121 58.100 -0.034 0.000 1.365 446 Y CB 1.268 39.667 38.460 -0.102 0.000 1.289 446 Y HN 0.637 nan 8.280 nan 0.000 0.548 447 G N 0.099 109.009 108.800 0.184 0.000 2.733 447 G HA2 0.466 4.426 3.960 -0.001 0.000 0.297 447 G HA3 0.466 4.426 3.960 -0.001 0.000 0.297 447 G C -2.147 172.776 174.900 0.039 0.000 1.422 447 G CA -0.681 44.520 45.100 0.170 0.000 0.942 447 G HN 0.856 nan 8.290 nan 0.000 0.510 448 C N 1.494 120.787 119.300 -0.012 0.000 2.498 448 C HA 0.865 5.325 4.460 -0.001 0.000 0.316 448 C C -0.728 174.216 174.990 -0.077 0.000 1.209 448 C CA -0.498 58.446 59.018 -0.124 0.000 1.518 448 C CB 0.614 28.275 27.740 -0.131 0.000 2.147 448 C HN 1.025 nan 8.230 nan 0.000 0.483 449 V N 7.502 127.339 119.914 -0.128 0.000 2.711 449 V HA 0.651 4.771 4.120 -0.001 0.000 0.304 449 V C -1.429 174.742 176.094 0.128 0.000 1.097 449 V CA -0.429 61.882 62.300 0.017 0.000 0.906 449 V CB 1.753 33.612 31.823 0.059 0.000 1.015 449 V HN 0.955 nan 8.190 nan 0.000 0.427 450 L N 8.911 130.195 121.223 0.103 0.000 2.287 450 L HA 0.896 5.236 4.340 -0.001 0.000 0.287 450 L C -0.834 176.104 176.870 0.114 0.000 1.022 450 L CA 0.011 54.871 54.840 0.034 0.000 0.814 450 L CB 1.082 43.093 42.059 -0.080 0.000 1.217 450 L HN 0.675 nan 8.230 nan 0.000 0.420 451 F N 2.859 122.719 119.950 -0.149 0.000 2.645 451 F HA 0.740 5.267 4.527 -0.001 0.000 0.310 451 F C -0.582 175.121 175.800 -0.161 0.000 1.102 451 F CA -0.973 56.936 58.000 -0.151 0.000 0.952 451 F CB 0.952 39.928 39.000 -0.041 0.000 1.326 451 F HN 0.535 nan 8.300 nan 0.000 0.456 452 N N -0.859 117.795 118.700 -0.077 0.000 3.223 452 N HA 0.296 5.035 4.740 -0.001 0.000 0.350 452 N C 0.111 175.693 175.510 0.120 0.000 1.425 452 N CA -0.093 52.924 53.050 -0.055 0.000 0.668 452 N CB -0.320 38.136 38.487 -0.050 0.000 1.435 452 N HN 0.564 nan 8.380 nan 0.000 0.569 453 D N -1.006 119.469 120.400 0.124 0.000 2.144 453 D HA -0.047 4.593 4.640 -0.001 0.000 0.199 453 D C 1.145 177.531 176.300 0.143 0.000 0.984 453 D CA 2.325 56.410 54.000 0.142 0.000 0.834 453 D CB -0.132 40.740 40.800 0.120 0.000 0.955 453 D HN 0.809 nan 8.370 nan 0.000 0.465 454 E N -0.016 120.254 120.200 0.116 0.000 2.536 454 E HA 0.137 4.486 4.350 -0.001 0.000 0.220 454 E C 0.751 177.400 176.600 0.082 0.000 0.876 454 E CA -0.065 56.392 56.400 0.095 0.000 1.190 454 E CB 0.389 30.132 29.700 0.072 0.000 1.191 454 E HN 0.189 nan 8.360 nan 0.000 0.557 455 Q N -0.629 119.218 119.800 0.078 0.000 2.433 455 Q HA 0.683 5.023 4.340 -0.001 0.000 0.279 455 Q C -1.063 174.982 176.000 0.075 0.000 1.105 455 Q CA -1.055 54.780 55.803 0.053 0.000 0.815 455 Q CB 3.021 31.771 28.738 0.020 0.000 1.403 455 Q HN 0.183 nan 8.270 nan 0.000 0.435 456 V N 2.781 122.726 119.914 0.053 0.000 2.394 456 V HA 0.168 4.287 4.120 -0.001 0.000 0.282 456 V C 0.582 176.683 176.094 0.010 0.000 1.031 456 V CA -0.016 62.325 62.300 0.068 0.000 0.881 456 V CB 1.071 32.917 31.823 0.038 0.000 0.982 456 V HN 0.708 nan 8.190 nan 0.000 0.451 457 L N 3.018 124.225 121.223 -0.027 0.000 2.408 457 L HA 0.314 4.653 4.340 -0.001 0.000 0.215 457 L C 0.913 177.761 176.870 -0.037 0.000 1.081 457 L CA 0.700 55.495 54.840 -0.075 0.000 0.840 457 L CB 0.376 42.314 42.059 -0.201 0.000 1.002 457 L HN 0.635 nan 8.230 nan 0.000 0.468 458 S N -0.034 115.658 115.700 -0.013 0.000 2.566 458 S HA 0.478 4.948 4.470 -0.001 0.000 0.273 458 S C -1.523 173.091 174.600 0.023 0.000 1.157 458 S CA -0.645 57.554 58.200 -0.003 0.000 0.938 458 S CB 1.152 64.336 63.200 -0.027 0.000 1.087 458 S HN 0.133 nan 8.310 nan 0.000 0.474 459 N N 2.369 121.089 118.700 0.034 0.000 2.533 459 N HA 0.572 5.312 4.740 -0.001 0.000 0.289 459 N C -0.964 174.591 175.510 0.075 0.000 1.103 459 N CA 0.183 53.268 53.050 0.059 0.000 0.877 459 N CB 1.773 40.299 38.487 0.065 0.000 1.419 459 N HN 0.841 nan 8.380 nan 0.000 0.517 460 E N 1.701 121.951 120.200 0.084 0.000 2.367 460 E HA 0.489 4.838 4.350 -0.001 0.000 0.273 460 E C -1.479 175.227 176.600 0.177 0.000 0.903 460 E CA -0.858 55.612 56.400 0.118 0.000 0.764 460 E CB 1.329 31.069 29.700 0.067 0.000 1.252 460 E HN 0.436 nan 8.360 nan 0.000 0.446 461 F N 1.542 121.540 119.950 0.080 0.000 2.443 461 F HA 0.516 5.043 4.527 -0.001 0.000 0.353 461 F C 0.647 176.510 175.800 0.104 0.000 1.101 461 F CA -0.185 57.875 58.000 0.099 0.000 1.226 461 F CB 1.567 40.614 39.000 0.078 0.000 1.140 461 F HN 0.197 nan 8.300 nan 0.000 0.557 462 S N 3.864 119.206 115.700 -0.596 0.000 2.754 462 S HA 0.567 5.037 4.470 -0.001 0.000 0.247 462 S C 0.100 174.375 174.600 -0.541 0.000 1.031 462 S CA -0.023 57.886 58.200 -0.484 0.000 1.014 462 S CB -0.316 62.773 63.200 -0.185 0.000 0.918 462 S HN 1.358 nan 8.310 nan 0.000 0.519 463 G N 1.594 109.697 108.800 -1.162 0.000 2.408 463 G HA2 0.132 4.092 3.960 -0.001 0.000 0.682 463 G HA3 0.132 4.092 3.960 -0.001 0.000 0.682 463 G C -0.668 174.325 174.900 0.156 0.000 1.303 463 G CA -0.474 44.425 45.100 -0.335 0.000 0.966 463 G HN 0.777 nan 8.290 nan 0.000 0.560 464 S N -1.422 114.511 115.700 0.389 0.000 2.667 464 S HA 0.927 5.396 4.470 -0.001 0.000 0.292 464 S C -0.873 173.948 174.600 0.369 0.000 1.126 464 S CA -0.319 58.121 58.200 0.400 0.000 0.881 464 S CB 2.438 65.964 63.200 0.544 0.000 1.132 464 S HN 2.231 nan 8.310 nan 0.000 0.492 465 L N 0.271 121.632 121.223 0.230 0.000 2.465 465 L HA 0.887 5.226 4.340 -0.001 0.000 0.257 465 L C -2.320 174.626 176.870 0.126 0.000 0.988 465 L CA -0.710 54.245 54.840 0.191 0.000 0.827 465 L CB 2.089 44.231 42.059 0.140 0.000 1.397 465 L HN 0.881 nan 8.230 nan 0.000 0.410 466 L N 3.085 124.363 121.223 0.092 0.000 2.476 466 L HA 0.677 5.017 4.340 -0.001 0.000 0.269 466 L C -1.337 175.544 176.870 0.019 0.000 0.965 466 L CA -0.079 54.801 54.840 0.067 0.000 0.845 466 L CB 1.684 43.792 42.059 0.081 0.000 1.259 466 L HN 0.679 nan 8.230 nan 0.000 0.403 467 R N 2.918 123.419 120.500 0.001 0.000 2.621 467 R HA 0.827 5.166 4.340 -0.001 0.000 0.292 467 R C -0.929 175.364 176.300 -0.013 0.000 0.969 467 R CA -0.737 55.339 56.100 -0.039 0.000 0.887 467 R CB 2.275 32.527 30.300 -0.080 0.000 1.180 467 R HN 0.628 nan 8.270 nan 0.000 0.450 468 S N 0.543 116.233 115.700 -0.016 0.000 2.648 468 S HA 0.639 5.108 4.470 -0.001 0.000 0.305 468 S C -0.656 173.935 174.600 -0.014 0.000 1.094 468 S CA -0.906 57.293 58.200 -0.000 0.000 0.983 468 S CB 1.974 65.184 63.200 0.018 0.000 1.101 468 S HN 0.543 nan 8.310 nan 0.000 0.514 484 C N -0.854 118.398 119.300 -0.080 0.000 3.292 484 C HA 0.759 5.219 4.460 -0.001 0.000 0.338 484 C C -0.657 174.263 174.990 -0.117 0.000 1.323 484 C CA -1.194 57.770 59.018 -0.090 0.000 1.232 484 C CB 0.317 28.039 27.740 -0.030 0.000 1.517 484 C HN 0.953 nan 8.230 nan 0.000 0.470 485 L N 2.379 123.522 121.223 -0.134 0.000 2.380 485 L HA 0.542 4.881 4.340 -0.001 0.000 0.273 485 L C 0.189 177.038 176.870 -0.035 0.000 1.138 485 L CA 0.805 55.571 54.840 -0.124 0.000 0.832 485 L CB 0.478 42.454 42.059 -0.138 0.000 1.124 485 L HN 0.791 nan 8.230 nan 0.000 0.454 486 D N 0.502 120.898 120.400 -0.006 0.000 2.592 486 D HA 0.582 5.221 4.640 -0.001 0.000 0.263 486 D C -1.107 175.230 176.300 0.062 0.000 1.132 486 D CA -0.256 53.790 54.000 0.077 0.000 0.996 486 D CB 2.344 43.191 40.800 0.078 0.000 1.442 486 D HN 0.479 nan 8.370 nan 0.000 0.486 487 S N -0.229 115.561 115.700 0.151 0.000 2.634 487 S HA 0.736 5.206 4.470 -0.001 0.000 0.296 487 S C -0.532 174.111 174.600 0.072 0.000 1.104 487 S CA -0.795 57.468 58.200 0.106 0.000 0.920 487 S CB 0.947 64.237 63.200 0.150 0.000 1.111 487 S HN 0.385 nan 8.310 nan 0.000 0.493 488 I N 1.572 122.144 120.570 0.003 0.000 2.392 488 I HA 0.507 4.676 4.170 -0.001 0.000 0.295 488 I C -0.919 175.116 176.117 -0.136 0.000 0.985 488 I CA -0.803 60.455 61.300 -0.070 0.000 1.221 488 I CB 1.580 39.489 38.000 -0.151 0.000 1.366 488 I HN 0.601 nan 8.210 nan 0.000 0.467 489 I N 7.409 127.901 120.570 -0.130 0.000 2.439 489 I HA 0.367 4.537 4.170 -0.001 0.000 0.285 489 I C -0.739 175.350 176.117 -0.047 0.000 1.021 489 I CA -0.290 60.918 61.300 -0.153 0.000 1.091 489 I CB 0.998 38.838 38.000 -0.268 0.000 1.242 489 I HN 0.374 nan 8.210 nan 0.000 0.439 490 L N 8.574 129.749 121.223 -0.080 0.000 2.349 490 L HA 0.365 4.705 4.340 -0.001 0.000 0.275 490 L C -0.564 176.355 176.870 0.083 0.000 1.115 490 L CA -0.448 54.361 54.840 -0.051 0.000 0.820 490 L CB 0.368 42.344 42.059 -0.139 0.000 1.135 490 L HN 0.659 nan 8.230 nan 0.000 0.445 491 Y N 0.000 120.278 120.300 -0.037 0.000 2.660 491 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 491 Y CA 0.000 58.090 58.100 -0.017 0.000 1.940 491 Y CB 0.000 38.452 38.460 -0.014 0.000 1.050 491 Y HN 0.000 nan 8.280 nan 0.000 0.758