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 3aeq_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLTLWTYEG PPHVGAMRVA TAMKDLQLVL HGPQGDTYAD LLFTMIERRN DATA SEQUENCE ARPPVSFSTF EASHMGTDTA ILLKDALAAA HARYKPQAMA VALTCTAELL DATA SEQUENCE QDDPNGISRA LNLPVPVVPL ELPSYSRKEN YGADETFRAL VRALAVPMER DATA SEQUENCE TPEVTCNLLG ATALGFRHRD DVAEVTKLLA TMGIKVNVCA PLGASPDDLR DATA SEQUENCE KLGQAHFNVL MYPETGESAA RHLERACKQP FTKIVPIGVG ATRDFLAEVS DATA SEQUENCE KITGLPVVTD ESTLRQPWWS ASVDSTYLTG KRVFIFGDGT HVIAAARIAA DATA SEQUENCE KEVGFEVVGM GCYNREMARP LRTAAAEYGL EALITDDYLE VEKAIEAAAP DATA SEQUENCE ELILGTQMER NIAKKLGLPC AVISAPVHVQ DFPARYAPQM GFEGANVLFD DATA SEQUENCE TWVHPLVMGL EEHLLTMFR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.327 55.300 0.044 0.000 0.988 1 M CB 0.000 32.621 32.600 0.035 0.000 1.302 2 K N 3.302 123.732 120.400 0.050 0.000 2.613 2 K HA 0.462 4.782 4.320 0.000 0.000 0.248 2 K C -1.531 175.099 176.600 0.049 0.000 0.959 2 K CA -0.674 55.643 56.287 0.050 0.000 0.855 2 K CB 1.594 34.129 32.500 0.059 0.000 1.143 2 K HN 0.731 nan 8.250 nan 0.000 0.437 3 L N 3.834 125.084 121.223 0.045 0.000 2.455 3 L HA 0.276 4.616 4.340 0.000 0.000 0.272 3 L C -1.076 175.832 176.870 0.064 0.000 1.174 3 L CA 1.163 56.031 54.840 0.047 0.000 0.869 3 L CB 0.871 42.954 42.059 0.039 0.000 1.130 3 L HN 0.697 nan 8.230 nan 0.000 0.474 4 T N 6.472 121.064 114.554 0.064 0.000 2.928 4 T HA 0.305 4.655 4.350 0.000 0.000 0.296 4 T C 0.347 175.092 174.700 0.075 0.000 1.000 4 T CA -0.401 61.746 62.100 0.080 0.000 0.989 4 T CB 2.176 71.068 68.868 0.040 0.000 1.005 4 T HN 0.628 nan 8.240 nan 0.000 0.442 5 L N 2.677 123.982 121.223 0.137 0.000 2.546 5 L HA 0.598 4.938 4.340 0.000 0.000 0.185 5 L C 0.395 177.284 176.870 0.032 0.000 1.247 5 L CA 0.162 55.053 54.840 0.085 0.000 0.848 5 L CB -0.051 42.083 42.059 0.125 0.000 1.133 5 L HN 0.690 nan 8.230 nan 0.000 0.504 6 W N 1.348 122.503 121.300 -0.242 0.000 2.202 6 W HA 0.342 5.002 4.660 0.000 0.000 0.332 6 W C -0.896 175.491 176.519 -0.219 0.000 1.263 6 W CA -0.066 57.054 57.345 -0.375 0.000 1.223 6 W CB 0.922 29.928 29.460 -0.756 0.000 1.128 6 W HN 0.147 nan 8.180 nan 0.000 0.573 7 T N 5.608 119.512 114.554 -1.085 0.000 2.930 7 T HA 0.209 4.559 4.350 0.000 0.000 0.313 7 T C 0.400 174.441 174.700 -1.099 0.000 1.019 7 T CA -0.388 61.239 62.100 -0.788 0.000 1.004 7 T CB 0.150 68.758 68.868 -0.433 0.000 0.987 7 T HN 0.392 nan 8.240 nan 0.000 0.456 8 Y N 2.751 122.648 120.300 -0.673 0.000 2.207 8 Y HA 0.021 4.571 4.550 0.000 0.000 0.287 8 Y C 1.457 177.029 175.900 -0.547 0.000 1.156 8 Y CA 0.985 58.703 58.100 -0.637 0.000 1.182 8 Y CB 0.322 38.386 38.460 -0.661 0.000 0.979 8 Y HN 0.575 nan 8.280 nan 0.000 0.521 9 E N -1.538 118.545 120.200 -0.195 0.000 2.299 9 E HA 0.446 4.796 4.350 0.000 0.000 0.265 9 E C 0.095 176.601 176.600 -0.156 0.000 0.911 9 E CA -0.563 55.768 56.400 -0.115 0.000 0.789 9 E CB 1.690 31.415 29.700 0.042 0.000 1.246 9 E HN 0.153 nan 8.360 nan 0.000 0.427 10 G N 1.114 109.832 108.800 -0.136 0.000 2.535 10 G HA2 0.349 4.310 3.960 0.000 0.000 0.282 10 G HA3 0.349 4.310 3.960 0.000 0.000 0.282 10 G C -2.298 172.528 174.900 -0.123 0.000 1.350 10 G CA -0.901 44.115 45.100 -0.140 0.000 1.039 10 G HN 0.297 nan 8.290 nan 0.000 0.509 11 P HA 0.202 nan 4.420 nan 0.000 0.274 11 P C -2.181 175.002 177.300 -0.196 0.000 1.246 11 P CA -1.257 61.730 63.100 -0.187 0.000 0.795 11 P CB 1.150 32.704 31.700 -0.244 0.000 1.006 12 P HA -0.205 nan 4.420 nan 0.000 0.215 12 P C 1.691 178.981 177.300 -0.017 0.000 1.153 12 P CA 1.692 64.799 63.100 0.012 0.000 0.853 12 P CB -0.665 31.103 31.700 0.114 0.000 0.788 13 H N -0.977 118.117 119.070 0.039 0.000 2.352 13 H HA -0.072 4.484 4.556 0.000 0.000 0.299 13 H C 1.681 177.030 175.328 0.035 0.000 1.097 13 H CA 1.232 57.300 56.048 0.033 0.000 1.311 13 H CB -1.329 28.465 29.762 0.052 0.000 1.377 13 H HN -0.084 nan 8.280 nan 0.000 0.504 14 V N 1.734 121.396 119.914 -0.419 0.000 2.370 14 V HA -0.263 3.857 4.120 0.000 0.000 0.252 14 V C 3.062 179.157 176.094 0.000 0.000 1.068 14 V CA 2.037 64.251 62.300 -0.142 0.000 1.061 14 V CB -1.163 30.526 31.823 -0.223 0.000 0.656 14 V HN 0.748 nan 8.190 nan 0.000 0.455 15 G N -0.844 107.937 108.800 -0.031 0.000 2.422 15 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 15 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 15 G C 1.771 176.684 174.900 0.021 0.000 1.146 15 G CA 0.961 46.067 45.100 0.009 0.000 0.769 15 G HN 0.629 nan 8.290 nan 0.000 0.547 16 A N 0.937 123.768 122.820 0.020 0.000 1.908 16 A HA -0.043 4.277 4.320 0.000 0.000 0.218 16 A C 2.457 180.043 177.584 0.002 0.000 1.181 16 A CA 1.884 53.928 52.037 0.012 0.000 0.627 16 A CB -0.389 18.626 19.000 0.025 0.000 0.818 16 A HN 0.389 nan 8.150 nan 0.000 0.445 17 M N -1.214 118.408 119.600 0.037 0.000 2.213 17 M HA -0.154 4.326 4.480 0.000 0.000 0.263 17 M C 2.342 178.603 176.300 -0.065 0.000 1.062 17 M CA 1.300 56.593 55.300 -0.011 0.000 1.105 17 M CB -0.471 32.210 32.600 0.136 0.000 1.385 17 M HN 0.361 nan 8.290 nan 0.000 0.417 18 R N 0.053 120.624 120.500 0.118 0.000 2.081 18 R HA -0.093 4.247 4.340 0.000 0.000 0.235 18 R C 2.207 178.503 176.300 -0.008 0.000 1.131 18 R CA 1.372 57.566 56.100 0.156 0.000 0.960 18 R CB -0.666 29.725 30.300 0.153 0.000 0.856 18 R HN 0.285 nan 8.270 nan 0.000 0.436 19 V N 1.039 120.935 119.914 -0.029 0.000 2.261 19 V HA -0.231 3.889 4.120 0.000 0.000 0.246 19 V C 2.562 178.607 176.094 -0.083 0.000 1.047 19 V CA 1.944 64.208 62.300 -0.059 0.000 1.015 19 V CB -0.912 30.904 31.823 -0.012 0.000 0.642 19 V HN 0.359 nan 8.190 nan 0.000 0.446 20 A N 0.251 123.010 122.820 -0.102 0.000 1.865 20 A HA -0.253 4.067 4.320 0.000 0.000 0.217 20 A C 2.391 179.854 177.584 -0.202 0.000 1.191 20 A CA 2.731 54.685 52.037 -0.139 0.000 0.623 20 A CB -1.184 17.723 19.000 -0.156 0.000 0.826 20 A HN 0.516 nan 8.150 nan 0.000 0.444 21 T N 0.283 114.645 114.554 -0.320 0.000 2.915 21 T HA 0.061 4.411 4.350 0.000 0.000 0.269 21 T C 2.095 176.654 174.700 -0.236 0.000 1.071 21 T CA 1.257 63.108 62.100 -0.416 0.000 1.132 21 T CB -0.372 67.945 68.868 -0.919 0.000 0.878 21 T HN 0.600 nan 8.240 nan 0.000 0.479 22 A N 1.121 123.847 122.820 -0.156 0.000 1.972 22 A HA 0.130 4.450 4.320 0.000 0.000 0.219 22 A C 1.334 178.875 177.584 -0.072 0.000 1.169 22 A CA 0.894 52.884 52.037 -0.079 0.000 0.635 22 A CB -0.473 18.490 19.000 -0.063 0.000 0.810 22 A HN 0.442 nan 8.150 nan 0.000 0.446 23 M N -0.089 119.460 119.600 -0.085 0.000 2.283 23 M HA 0.312 4.792 4.480 0.000 0.000 0.314 23 M C -0.056 176.202 176.300 -0.069 0.000 1.153 23 M CA -0.255 55.009 55.300 -0.060 0.000 1.084 23 M CB 1.135 33.709 32.600 -0.043 0.000 1.468 23 M HN 0.319 nan 8.290 nan 0.000 0.474 24 K N -0.368 120.003 120.400 -0.047 0.000 2.221 24 K HA 0.422 4.742 4.320 0.000 0.000 0.243 24 K C -0.757 175.818 176.600 -0.041 0.000 0.968 24 K CA -0.902 55.355 56.287 -0.051 0.000 0.846 24 K CB 1.276 33.756 32.500 -0.034 0.000 1.141 24 K HN 0.720 nan 8.250 nan 0.000 0.434 25 D N -0.021 120.351 120.400 -0.046 0.000 2.911 25 D HA -0.211 4.429 4.640 0.000 0.000 0.227 25 D C -0.739 175.545 176.300 -0.027 0.000 1.164 25 D CA 0.905 54.888 54.000 -0.028 0.000 0.782 25 D CB -1.146 39.648 40.800 -0.009 0.000 1.094 25 D HN 0.460 nan 8.370 nan 0.000 0.425 26 L N 0.353 121.544 121.223 -0.053 0.000 2.356 26 L HA 0.302 4.642 4.340 0.000 0.000 0.277 26 L C -0.658 176.162 176.870 -0.084 0.000 0.996 26 L CA -0.472 54.337 54.840 -0.051 0.000 0.822 26 L CB 1.740 43.772 42.059 -0.044 0.000 1.256 26 L HN -0.231 nan 8.230 nan 0.000 0.413 27 Q N 4.428 124.193 119.800 -0.058 0.000 2.325 27 Q HA 0.413 4.753 4.340 0.000 0.000 0.262 27 Q C -1.219 174.735 176.000 -0.077 0.000 0.968 27 Q CA -0.527 55.231 55.803 -0.075 0.000 0.877 27 Q CB 2.185 30.916 28.738 -0.012 0.000 1.253 27 Q HN 0.592 nan 8.270 nan 0.000 0.448 28 L N 3.358 124.508 121.223 -0.120 0.000 2.296 28 L HA 0.483 4.823 4.340 0.000 0.000 0.286 28 L C -1.155 175.611 176.870 -0.174 0.000 1.023 28 L CA -0.546 54.215 54.840 -0.131 0.000 0.812 28 L CB 1.619 43.590 42.059 -0.146 0.000 1.223 28 L HN 0.298 nan 8.230 nan 0.000 0.421 29 V N 6.699 126.523 119.914 -0.150 0.000 2.398 29 V HA 0.462 4.582 4.120 0.000 0.000 0.286 29 V C -0.104 175.859 176.094 -0.219 0.000 1.026 29 V CA -0.487 61.707 62.300 -0.175 0.000 0.868 29 V CB 1.602 33.376 31.823 -0.081 0.000 0.982 29 V HN 0.642 nan 8.190 nan 0.000 0.443 30 L N 4.390 125.375 121.223 -0.397 0.000 2.341 30 L HA 0.504 4.844 4.340 0.000 0.000 0.278 30 L C -0.040 176.765 176.870 -0.107 0.000 1.005 30 L CA -0.572 54.043 54.840 -0.375 0.000 0.818 30 L CB 1.598 43.168 42.059 -0.815 0.000 1.259 30 L HN 0.644 nan 8.230 nan 0.000 0.418 31 H N 3.098 122.146 119.070 -0.036 0.000 2.782 31 H HA 0.501 5.057 4.556 0.000 0.000 0.285 31 H C -0.284 175.141 175.328 0.161 0.000 1.093 31 H CA 0.034 56.156 56.048 0.123 0.000 1.410 31 H CB 0.897 30.766 29.762 0.178 0.000 1.439 31 H HN 0.788 nan 8.280 nan 0.000 0.469 32 G N 5.262 113.949 108.800 -0.188 0.000 2.495 32 G HA2 0.174 4.134 3.960 0.000 0.000 0.294 32 G HA3 0.174 4.134 3.960 0.000 0.000 0.294 32 G C -3.336 170.822 174.900 -1.238 0.000 1.397 32 G CA -0.989 43.813 45.100 -0.497 0.000 0.790 32 G HN 0.337 nan 8.290 nan 0.000 0.486 33 P HA 0.273 nan 4.420 nan 0.000 0.280 33 P C -0.558 176.452 177.300 -0.483 0.000 1.272 33 P CA -0.389 62.228 63.100 -0.805 0.000 0.819 33 P CB 0.882 32.390 31.700 -0.319 0.000 1.122 34 Q N -0.286 119.327 119.800 -0.313 0.000 2.304 34 Q HA 0.233 4.573 4.340 0.000 0.000 0.301 34 Q C 1.161 177.032 176.000 -0.215 0.000 1.063 34 Q CA 1.496 57.166 55.803 -0.222 0.000 0.947 34 Q CB -0.422 28.247 28.738 -0.116 0.000 1.201 34 Q HN 0.919 nan 8.270 nan 0.000 0.389 35 G N 2.740 111.403 108.800 -0.228 0.000 2.313 35 G HA2 -0.230 3.730 3.960 0.000 0.000 0.215 35 G HA3 -0.230 3.730 3.960 0.000 0.000 0.215 35 G C 0.467 175.291 174.900 -0.127 0.000 1.023 35 G CA 0.097 45.115 45.100 -0.135 0.000 0.626 35 G HN 0.652 nan 8.290 nan 0.000 0.503 36 D N 1.302 121.496 120.400 -0.342 0.000 2.392 36 D HA 0.050 4.691 4.640 0.000 0.000 0.228 36 D C 2.535 178.345 176.300 -0.816 0.000 1.003 36 D CA 1.605 55.353 54.000 -0.420 0.000 0.917 36 D CB -0.261 40.254 40.800 -0.475 0.000 0.890 36 D HN 0.683 nan 8.370 nan 0.000 0.532 37 T N -1.955 112.132 114.554 -0.780 0.000 3.160 37 T HA -0.126 4.224 4.350 0.000 0.000 0.257 37 T C 1.929 176.490 174.700 -0.232 0.000 1.147 37 T CA 0.035 61.824 62.100 -0.518 0.000 1.064 37 T CB -0.754 67.934 68.868 -0.301 0.000 0.949 37 T HN 0.372 nan 8.240 nan 0.000 0.526 38 Y N 1.016 121.230 120.300 -0.144 0.000 2.274 38 Y HA 0.231 4.781 4.550 0.000 0.000 0.290 38 Y C 2.484 178.368 175.900 -0.027 0.000 1.145 38 Y CA 0.306 58.361 58.100 -0.075 0.000 1.203 38 Y CB -1.025 37.386 38.460 -0.082 0.000 0.984 38 Y HN 0.246 nan 8.280 nan 0.000 0.533 39 A N 0.828 123.131 122.820 -0.861 0.000 2.125 39 A HA -0.181 4.140 4.320 0.000 0.000 0.219 39 A C 1.668 179.223 177.584 -0.048 0.000 1.156 39 A CA 1.661 53.398 52.037 -0.500 0.000 0.671 39 A CB -0.790 17.927 19.000 -0.471 0.000 0.794 39 A HN 0.541 nan 8.150 nan 0.000 0.459 40 D N -0.135 120.276 120.400 0.018 0.000 2.149 40 D HA -0.125 4.515 4.640 0.000 0.000 0.198 40 D C 1.538 177.911 176.300 0.121 0.000 0.990 40 D CA 0.997 55.079 54.000 0.138 0.000 0.839 40 D CB -0.216 40.633 40.800 0.081 0.000 0.948 40 D HN 0.368 nan 8.370 nan 0.000 0.460 41 L N -0.059 121.190 121.223 0.043 0.000 2.291 41 L HA -0.080 4.260 4.340 0.000 0.000 0.214 41 L C 2.075 178.913 176.870 -0.054 0.000 1.120 41 L CA 0.538 55.387 54.840 0.015 0.000 0.799 41 L CB -0.412 41.663 42.059 0.027 0.000 0.925 41 L HN 0.019 nan 8.230 nan 0.000 0.446 42 L N -1.662 119.478 121.223 -0.140 0.000 2.042 42 L HA -0.200 4.141 4.340 0.000 0.000 0.210 42 L C 2.192 178.775 176.870 -0.478 0.000 1.076 42 L CA 1.937 56.558 54.840 -0.365 0.000 0.749 42 L CB -0.806 40.911 42.059 -0.570 0.000 0.893 42 L HN 0.134 nan 8.230 nan 0.000 0.432 43 F N -1.072 118.805 119.950 -0.122 0.000 2.219 43 F HA -0.088 4.439 4.527 0.000 0.000 0.294 43 F C 2.627 178.353 175.800 -0.122 0.000 1.086 43 F CA 1.315 59.231 58.000 -0.140 0.000 1.330 43 F CB -1.376 37.559 39.000 -0.108 0.000 1.047 43 F HN 0.127 nan 8.300 nan 0.000 0.495 44 T N -2.706 111.901 114.554 0.089 0.000 3.023 44 T HA -0.059 4.291 4.350 0.000 0.000 0.266 44 T C 1.797 176.489 174.700 -0.014 0.000 1.093 44 T CA 0.819 62.938 62.100 0.031 0.000 1.129 44 T CB -0.049 68.838 68.868 0.032 0.000 0.899 44 T HN -0.021 nan 8.240 nan 0.000 0.491 45 M N 0.481 120.053 119.600 -0.046 0.000 2.369 45 M HA 0.410 4.890 4.480 0.000 0.000 0.254 45 M C 2.298 178.538 176.300 -0.100 0.000 1.136 45 M CA 0.684 55.949 55.300 -0.058 0.000 1.190 45 M CB -0.897 31.675 32.600 -0.048 0.000 1.289 45 M HN 0.238 nan 8.290 nan 0.000 0.468 46 I N 0.125 120.585 120.570 -0.184 0.000 2.141 46 I HA -0.230 3.940 4.170 0.000 0.000 0.236 46 I C 2.360 178.218 176.117 -0.431 0.000 1.071 46 I CA 1.310 62.448 61.300 -0.269 0.000 1.345 46 I CB -0.366 37.427 38.000 -0.345 0.000 1.066 46 I HN 0.346 nan 8.210 nan 0.000 0.406 47 E N 1.450 121.293 120.200 -0.596 0.000 2.274 47 E HA -0.194 4.156 4.350 0.000 0.000 0.194 47 E C 0.754 177.272 176.600 -0.137 0.000 0.996 47 E CA 0.274 56.374 56.400 -0.501 0.000 0.840 47 E CB 0.146 29.618 29.700 -0.380 0.000 0.772 47 E HN 0.258 nan 8.360 nan 0.000 0.491 48 R N 0.458 120.898 120.500 -0.099 0.000 3.261 48 R HA -0.179 4.161 4.340 0.000 0.000 0.257 48 R C -1.368 174.933 176.300 0.002 0.000 1.014 48 R CA 0.383 56.466 56.100 -0.028 0.000 0.681 48 R CB -2.067 28.227 30.300 -0.010 0.000 1.155 48 R HN 0.087 nan 8.270 nan 0.000 0.424 49 R N 0.977 121.483 120.500 0.011 0.000 2.531 49 R HA 0.108 4.448 4.340 0.000 0.000 0.273 49 R C 1.156 177.461 176.300 0.009 0.000 1.070 49 R CA -0.031 56.079 56.100 0.017 0.000 1.112 49 R CB 0.372 30.686 30.300 0.023 0.000 1.049 49 R HN 0.555 nan 8.270 nan 0.000 0.508 50 N N 0.307 119.010 118.700 0.004 0.000 2.461 50 N HA 0.015 4.755 4.740 0.000 0.000 0.188 50 N C -0.477 175.030 175.510 -0.006 0.000 1.134 50 N CA 0.066 53.117 53.050 0.002 0.000 0.878 50 N CB 0.576 39.065 38.487 0.004 0.000 0.972 50 N HN 0.465 nan 8.380 nan 0.000 0.456 51 A N 0.169 122.980 122.820 -0.015 0.000 2.612 51 A HA 0.563 4.883 4.320 0.000 0.000 0.293 51 A C -0.759 176.801 177.584 -0.041 0.000 1.075 51 A CA -0.892 51.129 52.037 -0.027 0.000 0.680 51 A CB 1.089 20.064 19.000 -0.040 0.000 1.279 51 A HN 0.111 nan 8.150 nan 0.000 0.411 52 R N 0.932 121.406 120.500 -0.043 0.000 2.523 52 R HA 0.233 4.573 4.340 0.000 0.000 0.281 52 R C -2.242 173.987 176.300 -0.118 0.000 0.969 52 R CA -0.399 55.668 56.100 -0.056 0.000 1.093 52 R CB -0.230 30.042 30.300 -0.045 0.000 0.917 52 R HN 0.446 nan 8.270 nan 0.000 0.408 53 P HA -0.063 nan 4.420 nan 0.000 0.266 53 P C -2.272 174.885 177.300 -0.238 0.000 1.186 53 P CA -0.633 62.328 63.100 -0.232 0.000 0.767 53 P CB 0.253 31.816 31.700 -0.229 0.000 0.820 54 P HA 0.095 nan 4.420 nan 0.000 0.218 54 P C -0.923 176.230 177.300 -0.246 0.000 1.793 54 P CA 0.317 63.237 63.100 -0.300 0.000 0.941 54 P CB 0.054 31.585 31.700 -0.281 0.000 1.919 55 V N 0.563 120.349 119.914 -0.213 0.000 2.588 55 V HA 0.529 4.649 4.120 0.000 0.000 0.304 55 V C 0.061 176.049 176.094 -0.177 0.000 1.042 55 V CA -0.459 61.708 62.300 -0.222 0.000 0.877 55 V CB 2.222 33.925 31.823 -0.201 0.000 0.996 55 V HN 0.354 nan 8.190 nan 0.000 0.425 56 S N 3.649 119.190 115.700 -0.264 0.000 2.549 56 S HA 0.856 5.326 4.470 0.000 0.000 0.280 56 S C -1.246 173.160 174.600 -0.322 0.000 1.109 56 S CA -0.658 57.458 58.200 -0.140 0.000 0.905 56 S CB 1.795 64.984 63.200 -0.019 0.000 1.081 56 S HN 0.296 nan 8.310 nan 0.000 0.477 57 F N 1.301 121.223 119.950 -0.047 0.000 2.492 57 F HA 0.453 4.980 4.527 0.000 0.000 0.327 57 F C 1.806 177.575 175.800 -0.052 0.000 1.079 57 F CA -0.740 57.214 58.000 -0.077 0.000 0.967 57 F CB 2.250 41.163 39.000 -0.145 0.000 1.169 57 F HN 0.782 nan 8.300 nan 0.000 0.472 58 S N -0.735 115.055 115.700 0.148 0.000 2.399 58 S HA -0.119 4.351 4.470 0.000 0.000 0.231 58 S C 0.535 175.170 174.600 0.058 0.000 1.022 58 S CA 0.905 59.198 58.200 0.155 0.000 0.983 58 S CB -0.867 62.563 63.200 0.384 0.000 0.803 58 S HN 0.807 nan 8.310 nan 0.000 0.480 59 T N 2.432 116.926 114.554 -0.101 0.000 3.730 59 T HA -0.159 4.191 4.350 0.000 0.000 0.391 59 T C -0.210 174.413 174.700 -0.128 0.000 0.763 59 T CA 0.725 62.717 62.100 -0.180 0.000 2.052 59 T CB -2.738 66.095 68.868 -0.059 0.000 1.751 59 T HN 0.606 nan 8.240 nan 0.000 0.772 60 F N 0.015 119.959 119.950 -0.009 0.000 2.375 60 F HA 0.790 5.317 4.527 0.000 0.000 0.333 60 F C 0.603 176.412 175.800 0.015 0.000 1.104 60 F CA -1.077 56.928 58.000 0.008 0.000 1.149 60 F CB 0.885 39.884 39.000 -0.001 0.000 1.190 60 F HN 0.366 nan 8.300 nan 0.000 0.533 61 E N 2.464 122.841 120.200 0.294 0.000 2.450 61 E HA 0.548 4.898 4.350 0.000 0.000 0.272 61 E C 0.286 177.001 176.600 0.191 0.000 0.967 61 E CA -0.546 55.977 56.400 0.205 0.000 0.818 61 E CB 1.430 31.205 29.700 0.126 0.000 1.401 61 E HN 0.715 nan 8.360 nan 0.000 0.450 62 A N 1.253 124.147 122.820 0.123 0.000 1.884 62 A HA -0.261 4.059 4.320 0.000 0.000 0.219 62 A C 2.087 179.703 177.584 0.052 0.000 1.197 62 A CA 3.365 55.448 52.037 0.077 0.000 0.637 62 A CB -1.318 17.712 19.000 0.050 0.000 0.827 62 A HN 0.759 nan 8.150 nan 0.000 0.450 63 S N -1.868 113.864 115.700 0.054 0.000 2.603 63 S HA -0.017 4.453 4.470 0.000 0.000 0.229 63 S C 0.451 174.923 174.600 -0.215 0.000 0.972 63 S CA 0.920 59.091 58.200 -0.049 0.000 0.935 63 S CB -0.471 62.705 63.200 -0.040 0.000 0.769 63 S HN 0.667 nan 8.310 nan 0.000 0.536 64 H N 0.119 119.223 119.070 0.056 0.000 2.535 64 H HA 0.460 5.016 4.556 0.000 0.000 0.232 64 H C -0.061 175.302 175.328 0.058 0.000 1.405 64 H CA -0.503 55.583 56.048 0.063 0.000 1.224 64 H CB 0.191 30.004 29.762 0.085 0.000 1.763 64 H HN 0.221 nan 8.280 nan 0.000 0.529 65 M N -0.867 118.776 119.600 0.071 0.000 2.440 65 M HA 0.490 4.970 4.480 0.000 0.000 0.229 65 M C 1.654 177.950 176.300 -0.006 0.000 0.957 65 M CA 0.393 55.698 55.300 0.008 0.000 1.431 65 M CB 0.124 32.712 32.600 -0.019 0.000 1.252 65 M HN 0.612 nan 8.290 nan 0.000 0.748 66 G N 0.647 109.424 108.800 -0.037 0.000 2.543 66 G HA2 -0.303 3.657 3.960 0.000 0.000 0.286 66 G HA3 -0.303 3.657 3.960 0.000 0.000 0.286 66 G C 0.549 175.441 174.900 -0.013 0.000 1.153 66 G CA 1.129 46.215 45.100 -0.024 0.000 0.968 66 G HN 0.867 nan 8.290 nan 0.000 0.544 67 T N -1.579 112.978 114.554 0.006 0.000 3.129 67 T HA 0.316 4.666 4.350 0.000 0.000 0.251 67 T C 1.353 176.078 174.700 0.042 0.000 1.117 67 T CA 1.535 63.645 62.100 0.016 0.000 1.034 67 T CB 0.265 69.141 68.868 0.013 0.000 0.968 67 T HN 0.349 nan 8.240 nan 0.000 0.526 68 D N 2.267 122.706 120.400 0.064 0.000 2.249 68 D HA -0.030 4.610 4.640 0.000 0.000 0.205 68 D C 2.506 178.886 176.300 0.134 0.000 0.962 68 D CA 1.489 55.560 54.000 0.118 0.000 0.860 68 D CB -0.404 40.514 40.800 0.196 0.000 0.955 68 D HN 0.617 nan 8.370 nan 0.000 0.505 69 T N -0.549 114.066 114.554 0.102 0.000 2.635 69 T HA -0.217 4.133 4.350 0.000 0.000 0.267 69 T C 2.151 176.976 174.700 0.208 0.000 1.040 69 T CA 1.772 63.968 62.100 0.159 0.000 1.156 69 T CB -0.722 68.114 68.868 -0.054 0.000 0.863 69 T HN 0.078 nan 8.240 nan 0.000 0.430 70 A N 2.310 125.182 122.820 0.087 0.000 1.869 70 A HA -0.090 4.230 4.320 0.000 0.000 0.218 70 A C 2.477 180.083 177.584 0.037 0.000 1.203 70 A CA 2.028 54.082 52.037 0.028 0.000 0.638 70 A CB -0.969 18.037 19.000 0.011 0.000 0.831 70 A HN 0.501 nan 8.150 nan 0.000 0.450 71 I N -0.330 120.275 120.570 0.058 0.000 2.163 71 I HA -0.227 3.943 4.170 0.000 0.000 0.243 71 I C 2.551 178.711 176.117 0.071 0.000 1.085 71 I CA 1.230 62.562 61.300 0.055 0.000 1.347 71 I CB -1.503 36.533 38.000 0.060 0.000 1.044 71 I HN 0.300 nan 8.210 nan 0.000 0.408 72 L N -0.318 120.977 121.223 0.119 0.000 2.042 72 L HA -0.242 4.098 4.340 0.000 0.000 0.210 72 L C 2.570 179.528 176.870 0.146 0.000 1.076 72 L CA 0.897 55.822 54.840 0.142 0.000 0.749 72 L CB -0.509 41.679 42.059 0.215 0.000 0.893 72 L HN 0.213 nan 8.230 nan 0.000 0.432 73 L N 0.296 121.611 121.223 0.153 0.000 2.012 73 L HA -0.272 4.068 4.340 0.000 0.000 0.210 73 L C 2.604 179.487 176.870 0.022 0.000 1.073 73 L CA 1.903 56.783 54.840 0.066 0.000 0.748 73 L CB -0.617 41.342 42.059 -0.166 0.000 0.891 73 L HN 0.167 nan 8.230 nan 0.000 0.431 74 K N -0.733 119.672 120.400 0.008 0.000 2.059 74 K HA -0.254 4.066 4.320 0.000 0.000 0.212 74 K C 1.704 178.313 176.600 0.015 0.000 1.050 74 K CA 2.177 58.465 56.287 0.002 0.000 0.927 74 K CB -0.264 32.238 32.500 0.003 0.000 0.714 74 K HN 0.435 nan 8.250 nan 0.000 0.447 75 D N 0.041 120.458 120.400 0.029 0.000 2.117 75 D HA -0.108 4.532 4.640 0.000 0.000 0.198 75 D C 1.821 178.140 176.300 0.031 0.000 0.982 75 D CA 1.343 55.360 54.000 0.027 0.000 0.828 75 D CB -0.247 40.569 40.800 0.027 0.000 0.967 75 D HN 0.400 nan 8.370 nan 0.000 0.464 76 A N 0.662 123.507 122.820 0.042 0.000 1.969 76 A HA -0.063 4.257 4.320 0.000 0.000 0.218 76 A C 2.347 179.951 177.584 0.034 0.000 1.169 76 A CA 0.635 52.697 52.037 0.042 0.000 0.635 76 A CB -0.652 18.378 19.000 0.051 0.000 0.810 76 A HN 0.166 nan 8.150 nan 0.000 0.445 77 L N -0.866 120.372 121.223 0.025 0.000 2.027 77 L HA -0.189 4.151 4.340 0.000 0.000 0.206 77 L C 3.133 180.029 176.870 0.043 0.000 1.074 77 L CA 1.067 55.920 54.840 0.021 0.000 0.745 77 L CB -0.545 41.512 42.059 -0.002 0.000 0.898 77 L HN 0.460 nan 8.230 nan 0.000 0.433 78 A N 0.044 122.885 122.820 0.035 0.000 1.834 78 A HA -0.270 4.050 4.320 0.000 0.000 0.216 78 A C 2.492 180.118 177.584 0.070 0.000 1.203 78 A CA 2.090 54.158 52.037 0.052 0.000 0.621 78 A CB -1.144 17.875 19.000 0.031 0.000 0.841 78 A HN 0.429 nan 8.150 nan 0.000 0.446 79 A N -0.428 122.414 122.820 0.037 0.000 1.958 79 A HA 0.008 4.328 4.320 0.000 0.000 0.221 79 A C 2.493 180.079 177.584 0.003 0.000 1.178 79 A CA 2.720 54.761 52.037 0.007 0.000 0.642 79 A CB -1.104 17.898 19.000 0.003 0.000 0.816 79 A HN 1.247 nan 8.150 nan 0.000 0.453 80 A N -1.486 121.376 122.820 0.070 0.000 1.898 80 A HA -0.196 4.124 4.320 0.000 0.000 0.216 80 A C 2.167 179.837 177.584 0.145 0.000 1.181 80 A CA 1.724 53.853 52.037 0.152 0.000 0.620 80 A CB -0.892 18.191 19.000 0.138 0.000 0.819 80 A HN 0.791 nan 8.150 nan 0.000 0.442 81 H N 0.030 119.122 119.070 0.037 0.000 2.326 81 H HA -0.011 4.545 4.556 0.000 0.000 0.301 81 H C 2.277 177.600 175.328 -0.008 0.000 1.081 81 H CA 1.613 57.675 56.048 0.023 0.000 1.334 81 H CB -0.245 29.521 29.762 0.007 0.000 1.385 81 H HN 0.380 nan 8.280 nan 0.000 0.504 82 A N 1.557 124.346 122.820 -0.053 0.000 1.865 82 A HA -0.218 4.102 4.320 0.000 0.000 0.217 82 A C 2.639 180.089 177.584 -0.223 0.000 1.191 82 A CA 1.941 53.906 52.037 -0.121 0.000 0.623 82 A CB -0.741 18.237 19.000 -0.036 0.000 0.826 82 A HN 0.478 nan 8.150 nan 0.000 0.444 83 R N -2.289 118.047 120.500 -0.273 0.000 2.075 83 R HA -0.043 4.297 4.340 0.000 0.000 0.226 83 R C 1.044 177.020 176.300 -0.540 0.000 1.114 83 R CA 1.445 57.259 56.100 -0.475 0.000 0.972 83 R CB -0.168 29.696 30.300 -0.727 0.000 0.869 83 R HN 0.641 nan 8.270 nan 0.000 0.437 84 Y N 0.774 121.012 120.300 -0.103 0.000 2.507 84 Y HA 0.258 4.808 4.550 0.000 0.000 0.254 84 Y C -0.169 175.656 175.900 -0.125 0.000 1.171 84 Y CA -0.753 57.290 58.100 -0.094 0.000 1.238 84 Y CB 0.777 39.197 38.460 -0.066 0.000 1.148 84 Y HN -0.206 nan 8.280 nan 0.000 0.525 85 K N 1.310 121.629 120.400 -0.134 0.000 3.985 85 K HA -0.190 4.130 4.320 0.000 0.000 0.274 85 K C -2.800 173.765 176.600 -0.058 0.000 0.799 85 K CA 0.315 56.469 56.287 -0.221 0.000 0.661 85 K CB -1.431 30.968 32.500 -0.168 0.000 1.778 85 K HN 0.353 nan 8.250 nan 0.000 0.429 86 P HA 0.152 nan 4.420 nan 0.000 0.282 86 P C 0.578 177.913 177.300 0.057 0.000 1.259 86 P CA -0.434 62.692 63.100 0.043 0.000 0.826 86 P CB 0.810 32.544 31.700 0.056 0.000 1.064 87 Q N 0.137 119.958 119.800 0.035 0.000 2.167 87 Q HA 0.104 4.444 4.340 0.000 0.000 0.202 87 Q C 0.586 176.609 176.000 0.039 0.000 0.970 87 Q CA 1.253 57.078 55.803 0.035 0.000 0.855 87 Q CB 0.009 28.759 28.738 0.020 0.000 0.911 87 Q HN 0.652 nan 8.270 nan 0.000 0.438 88 A N -0.652 122.188 122.820 0.033 0.000 2.581 88 A HA 0.731 5.051 4.320 0.000 0.000 0.290 88 A C -1.554 176.041 177.584 0.020 0.000 1.119 88 A CA -0.757 51.295 52.037 0.025 0.000 0.670 88 A CB 1.293 20.299 19.000 0.009 0.000 1.280 88 A HN 0.089 nan 8.150 nan 0.000 0.425 89 M N -0.162 119.443 119.600 0.008 0.000 2.531 89 M HA 0.676 5.156 4.480 0.000 0.000 0.286 89 M C -0.473 175.816 176.300 -0.019 0.000 1.232 89 M CA -0.510 54.788 55.300 -0.003 0.000 0.877 89 M CB 2.560 35.167 32.600 0.012 0.000 1.726 89 M HN 1.160 nan 8.290 nan 0.000 0.463 90 A N 1.450 124.250 122.820 -0.033 0.000 2.365 90 A HA 0.871 5.191 4.320 0.000 0.000 0.318 90 A C -1.600 175.956 177.584 -0.047 0.000 1.091 90 A CA -0.769 51.246 52.037 -0.037 0.000 0.763 90 A CB 1.822 20.799 19.000 -0.038 0.000 1.248 90 A HN 0.642 nan 8.150 nan 0.000 0.442 91 V N 1.244 121.134 119.914 -0.039 0.000 2.604 91 V HA 0.897 5.017 4.120 0.000 0.000 0.305 91 V C -0.065 176.015 176.094 -0.023 0.000 1.043 91 V CA 0.440 62.716 62.300 -0.041 0.000 0.888 91 V CB 1.466 33.266 31.823 -0.038 0.000 0.995 91 V HN 1.919 nan 8.190 nan 0.000 0.429 92 A N 5.725 128.535 122.820 -0.016 0.000 2.588 92 A HA 0.858 5.179 4.320 0.000 0.000 0.290 92 A C -1.825 175.796 177.584 0.061 0.000 1.136 92 A CA -0.767 51.283 52.037 0.021 0.000 0.681 92 A CB 1.586 20.599 19.000 0.022 0.000 1.282 92 A HN 0.819 nan 8.150 nan 0.000 0.421 93 L N 1.030 122.313 121.223 0.100 0.000 2.307 93 L HA 0.470 4.810 4.340 0.000 0.000 0.284 93 L C 0.591 177.536 176.870 0.124 0.000 1.023 93 L CA -0.538 54.394 54.840 0.153 0.000 0.810 93 L CB 1.796 43.958 42.059 0.172 0.000 1.231 93 L HN 0.800 nan 8.230 nan 0.000 0.423 94 T N 0.831 115.437 114.554 0.086 0.000 2.813 94 T HA -0.003 4.347 4.350 0.000 0.000 0.297 94 T C 1.376 176.154 174.700 0.131 0.000 1.036 94 T CA -0.402 61.700 62.100 0.003 0.000 1.044 94 T CB 0.779 69.591 68.868 -0.094 0.000 0.993 94 T HN 0.931 nan 8.240 nan 0.000 0.535 95 C N 1.529 120.909 119.300 0.134 0.000 2.403 95 C HA -0.093 4.367 4.460 0.000 0.000 0.277 95 C C 2.565 177.692 174.990 0.228 0.000 1.248 95 C CA 1.327 60.407 59.018 0.104 0.000 1.762 95 C CB -1.863 25.828 27.740 -0.081 0.000 2.014 95 C HN 0.921 nan 8.230 nan 0.000 0.486 96 T N 2.072 116.745 114.554 0.199 0.000 2.674 96 T HA -0.027 4.323 4.350 0.000 0.000 0.265 96 T C 2.368 177.212 174.700 0.240 0.000 1.039 96 T CA 2.192 64.433 62.100 0.235 0.000 1.150 96 T CB -0.767 68.251 68.868 0.249 0.000 0.864 96 T HN 0.800 nan 8.240 nan 0.000 0.427 97 A N 1.431 124.415 122.820 0.274 0.000 2.076 97 A HA -0.147 4.173 4.320 0.000 0.000 0.220 97 A C 2.043 179.755 177.584 0.213 0.000 1.160 97 A CA 1.430 53.618 52.037 0.251 0.000 0.653 97 A CB -0.587 18.611 19.000 0.329 0.000 0.801 97 A HN 0.587 nan 8.150 nan 0.000 0.455 98 E N -0.602 119.728 120.200 0.218 0.000 2.478 98 E HA -0.007 4.343 4.350 0.000 0.000 0.198 98 E C 0.762 177.454 176.600 0.152 0.000 1.046 98 E CA 0.336 56.857 56.400 0.202 0.000 0.870 98 E CB -0.124 29.737 29.700 0.269 0.000 0.818 98 E HN 0.703 nan 8.360 nan 0.000 0.527 99 L N 0.578 121.877 121.223 0.127 0.000 2.667 99 L HA 0.189 4.529 4.340 0.000 0.000 0.232 99 L C -0.058 176.828 176.870 0.026 0.000 1.138 99 L CA -0.305 54.570 54.840 0.060 0.000 0.921 99 L CB 0.176 42.266 42.059 0.051 0.000 1.180 99 L HN 0.006 nan 8.230 nan 0.000 0.487 100 L N -0.474 120.769 121.223 0.034 0.000 2.332 100 L HA 0.308 4.648 4.340 0.000 0.000 0.269 100 L C 1.219 178.105 176.870 0.026 0.000 1.016 100 L CA 0.096 54.938 54.840 0.003 0.000 0.809 100 L CB 1.189 43.235 42.059 -0.022 0.000 1.280 100 L HN -0.129 nan 8.230 nan 0.000 0.447 101 Q N -0.031 119.774 119.800 0.008 0.000 2.224 101 Q HA -0.044 4.296 4.340 0.000 0.000 0.203 101 Q C -0.502 175.506 176.000 0.014 0.000 0.970 101 Q CA 0.792 56.600 55.803 0.010 0.000 0.865 101 Q CB -0.128 28.609 28.738 -0.002 0.000 0.922 101 Q HN 0.513 nan 8.270 nan 0.000 0.445 102 D N 1.502 121.915 120.400 0.020 0.000 2.487 102 D HA -0.057 4.583 4.640 0.000 0.000 0.243 102 D C -0.365 175.924 176.300 -0.018 0.000 1.154 102 D CA 0.349 54.343 54.000 -0.009 0.000 0.876 102 D CB 0.399 41.177 40.800 -0.036 0.000 1.161 102 D HN 0.065 nan 8.370 nan 0.000 0.478 103 D N 2.809 123.191 120.400 -0.030 0.000 2.339 103 D HA 0.103 4.743 4.640 0.000 0.000 0.241 103 D C -1.637 174.635 176.300 -0.047 0.000 1.183 103 D CA -2.095 51.891 54.000 -0.024 0.000 0.859 103 D CB 1.616 42.406 40.800 -0.017 0.000 1.067 103 D HN -0.011 nan 8.370 nan 0.000 0.484 104 P HA -0.114 nan 4.420 nan 0.000 0.215 104 P C 0.940 178.216 177.300 -0.041 0.000 1.157 104 P CA 1.086 64.157 63.100 -0.049 0.000 0.868 104 P CB 0.443 32.133 31.700 -0.016 0.000 0.788 105 N N -0.681 118.004 118.700 -0.025 0.000 2.006 105 N HA -0.135 4.605 4.740 0.000 0.000 0.196 105 N C 2.103 177.597 175.510 -0.027 0.000 1.070 105 N CA 1.925 54.962 53.050 -0.023 0.000 0.859 105 N CB -1.175 37.303 38.487 -0.014 0.000 1.060 105 N HN 0.024 nan 8.380 nan 0.000 0.424 106 G N 0.695 109.481 108.800 -0.024 0.000 2.606 106 G HA2 -0.294 3.666 3.960 0.000 0.000 0.223 106 G HA3 -0.294 3.666 3.960 0.000 0.000 0.223 106 G C 1.378 176.260 174.900 -0.029 0.000 1.106 106 G CA 1.341 46.427 45.100 -0.023 0.000 0.745 106 G HN 0.301 nan 8.290 nan 0.000 0.597 107 I N 1.262 121.809 120.570 -0.039 0.000 2.235 107 I HA -0.129 4.041 4.170 0.000 0.000 0.241 107 I C 3.119 179.212 176.117 -0.040 0.000 1.085 107 I CA 1.400 62.675 61.300 -0.043 0.000 1.378 107 I CB -0.435 37.527 38.000 -0.063 0.000 1.076 107 I HN 0.295 nan 8.210 nan 0.000 0.415 108 S N 1.334 117.008 115.700 -0.043 0.000 2.440 108 S HA -0.146 4.324 4.470 0.000 0.000 0.238 108 S C 2.006 176.582 174.600 -0.041 0.000 1.010 108 S CA 0.818 58.992 58.200 -0.042 0.000 0.972 108 S CB -0.519 62.656 63.200 -0.041 0.000 0.774 108 S HN 0.410 nan 8.310 nan 0.000 0.501 109 R N 1.436 121.915 120.500 -0.035 0.000 2.075 109 R HA 0.263 4.603 4.340 0.000 0.000 0.226 109 R C 2.591 178.872 176.300 -0.031 0.000 1.114 109 R CA 1.023 57.104 56.100 -0.031 0.000 0.972 109 R CB -0.643 29.642 30.300 -0.025 0.000 0.869 109 R HN 0.518 nan 8.270 nan 0.000 0.437 110 A N 0.792 123.595 122.820 -0.029 0.000 2.209 110 A HA -0.026 4.294 4.320 0.000 0.000 0.212 110 A C 1.834 179.402 177.584 -0.028 0.000 1.158 110 A CA 0.861 52.883 52.037 -0.025 0.000 0.742 110 A CB -0.114 18.873 19.000 -0.021 0.000 0.790 110 A HN 0.110 nan 8.150 nan 0.000 0.472 111 L N -0.728 120.474 121.223 -0.035 0.000 2.354 111 L HA 0.123 4.463 4.340 0.000 0.000 0.212 111 L C 1.003 177.841 176.870 -0.054 0.000 1.091 111 L CA 0.639 55.454 54.840 -0.042 0.000 0.828 111 L CB -0.387 41.644 42.059 -0.048 0.000 0.973 111 L HN 0.664 nan 8.230 nan 0.000 0.461 112 N N 1.048 119.716 118.700 -0.054 0.000 2.614 112 N HA -0.208 4.532 4.740 0.000 0.000 0.276 112 N C -0.660 174.797 175.510 -0.088 0.000 1.119 112 N CA -0.287 52.728 53.050 -0.058 0.000 0.742 112 N CB -0.472 37.989 38.487 -0.043 0.000 0.900 112 N HN 0.030 nan 8.380 nan 0.000 0.549 113 L N 2.781 123.933 121.223 -0.118 0.000 2.395 113 L HA 0.336 4.676 4.340 0.000 0.000 0.269 113 L C -0.749 176.016 176.870 -0.174 0.000 1.133 113 L CA -1.328 53.388 54.840 -0.206 0.000 0.812 113 L CB 0.474 42.381 42.059 -0.253 0.000 1.125 113 L HN 0.308 nan 8.230 nan 0.000 0.452 114 P HA 0.030 nan 4.420 nan 0.000 0.252 114 P C -0.632 176.643 177.300 -0.042 0.000 1.265 114 P CA 0.417 63.462 63.100 -0.090 0.000 0.775 114 P CB -0.101 31.576 31.700 -0.038 0.000 1.128 115 V N -4.411 115.463 119.914 -0.066 0.000 3.078 115 V HA 0.664 4.784 4.120 0.000 0.000 0.311 115 V C -2.978 173.100 176.094 -0.027 0.000 1.138 115 V CA -3.108 59.186 62.300 -0.011 0.000 1.007 115 V CB 1.575 33.428 31.823 0.051 0.000 1.045 115 V HN -0.292 nan 8.190 nan 0.000 0.432 116 P HA 0.212 nan 4.420 nan 0.000 0.265 116 P C -0.677 176.610 177.300 -0.020 0.000 1.193 116 P CA 0.224 63.313 63.100 -0.019 0.000 0.765 116 P CB 0.903 32.595 31.700 -0.014 0.000 0.823 117 V N 4.298 124.195 119.914 -0.028 0.000 2.376 117 V HA 0.162 4.283 4.120 0.000 0.000 0.287 117 V C 0.248 176.325 176.094 -0.029 0.000 1.015 117 V CA -0.768 61.515 62.300 -0.028 0.000 0.834 117 V CB 1.913 33.715 31.823 -0.035 0.000 1.001 117 V HN 0.243 nan 8.190 nan 0.000 0.428 118 V N 7.912 127.809 119.914 -0.028 0.000 2.364 118 V HA 0.345 4.465 4.120 0.000 0.000 0.272 118 V C -1.931 174.146 176.094 -0.028 0.000 1.036 118 V CA -1.667 60.615 62.300 -0.031 0.000 0.880 118 V CB 1.426 33.228 31.823 -0.035 0.000 0.991 118 V HN 0.692 nan 8.190 nan 0.000 0.460 119 P HA 0.403 nan 4.420 nan 0.000 0.279 119 P C -1.173 176.119 177.300 -0.013 0.000 1.239 119 P CA -0.278 62.811 63.100 -0.017 0.000 0.789 119 P CB 1.109 32.801 31.700 -0.013 0.000 0.933 120 L N 1.007 122.229 121.223 -0.002 0.000 2.404 120 L HA 0.470 4.810 4.340 0.000 0.000 0.272 120 L C 0.247 177.137 176.870 0.032 0.000 0.980 120 L CA -0.991 53.851 54.840 0.002 0.000 0.836 120 L CB 1.898 43.950 42.059 -0.010 0.000 1.238 120 L HN 0.202 nan 8.230 nan 0.000 0.408 121 E N 3.677 123.906 120.200 0.048 0.000 2.257 121 E HA 0.422 4.772 4.350 0.000 0.000 0.278 121 E C -1.130 175.546 176.600 0.127 0.000 1.049 121 E CA 0.200 56.654 56.400 0.090 0.000 0.876 121 E CB 0.627 30.387 29.700 0.100 0.000 1.035 121 E HN 0.481 nan 8.360 nan 0.000 0.419 122 L N 7.459 128.768 121.223 0.144 0.000 2.462 122 L HA 0.361 4.701 4.340 0.000 0.000 0.255 122 L C -2.246 174.739 176.870 0.192 0.000 1.076 122 L CA -2.150 52.799 54.840 0.181 0.000 0.920 122 L CB 1.573 43.715 42.059 0.139 0.000 1.214 122 L HN 0.406 nan 8.230 nan 0.000 0.472 123 P HA 0.067 nan 4.420 nan 0.000 0.263 123 P C 0.681 178.067 177.300 0.143 0.000 1.247 123 P CA 0.364 63.567 63.100 0.172 0.000 0.876 123 P CB 1.199 32.976 31.700 0.128 0.000 0.928 124 S N 2.040 117.808 115.700 0.114 0.000 2.428 124 S HA -0.087 4.383 4.470 0.000 0.000 0.230 124 S C 0.861 175.329 174.600 -0.219 0.000 1.014 124 S CA 0.802 58.960 58.200 -0.070 0.000 0.957 124 S CB -0.497 62.596 63.200 -0.179 0.000 0.784 124 S HN 0.408 nan 8.310 nan 0.000 0.499 125 Y N 1.003 121.350 120.300 0.077 0.000 2.466 125 Y HA 0.209 4.759 4.550 0.000 0.000 0.272 125 Y C 2.132 178.059 175.900 0.045 0.000 1.169 125 Y CA 0.343 58.478 58.100 0.059 0.000 1.285 125 Y CB 0.283 38.774 38.460 0.052 0.000 1.078 125 Y HN 0.359 nan 8.280 nan 0.000 0.523 126 S N -2.112 113.669 115.700 0.135 0.000 2.691 126 S HA 0.343 4.813 4.470 0.000 0.000 0.258 126 S C 0.481 175.103 174.600 0.037 0.000 1.078 126 S CA -0.504 57.742 58.200 0.078 0.000 1.000 126 S CB 0.668 63.902 63.200 0.057 0.000 0.942 126 S HN -0.087 nan 8.310 nan 0.000 0.521 127 R N 1.176 121.703 120.500 0.045 0.000 2.902 127 R HA 0.745 5.085 4.340 0.000 0.000 0.258 127 R C -0.686 175.667 176.300 0.089 0.000 1.071 127 R CA -0.573 55.561 56.100 0.056 0.000 1.024 127 R CB 0.950 31.290 30.300 0.067 0.000 1.184 127 R HN 0.205 nan 8.270 nan 0.000 0.492 128 K N 0.047 120.521 120.400 0.123 0.000 2.208 128 K HA 0.230 4.551 4.320 0.000 0.000 0.241 128 K C 0.915 177.571 176.600 0.092 0.000 1.087 128 K CA -0.787 55.550 56.287 0.084 0.000 0.883 128 K CB 1.355 33.904 32.500 0.082 0.000 1.360 128 K HN 0.558 nan 8.250 nan 0.000 0.496 129 E N 0.708 120.933 120.200 0.040 0.000 2.114 129 E HA -0.310 4.040 4.350 0.000 0.000 0.199 129 E C 1.175 177.808 176.600 0.055 0.000 1.008 129 E CA 1.831 58.240 56.400 0.016 0.000 0.810 129 E CB 0.100 29.794 29.700 -0.010 0.000 0.739 129 E HN 0.339 nan 8.360 nan 0.000 0.456 130 N N -0.425 118.336 118.700 0.103 0.000 2.092 130 N HA -0.171 4.569 4.740 0.000 0.000 0.189 130 N C 1.695 177.280 175.510 0.125 0.000 1.040 130 N CA 1.237 54.356 53.050 0.114 0.000 0.845 130 N CB -0.797 37.770 38.487 0.134 0.000 1.017 130 N HN 0.260 nan 8.380 nan 0.000 0.426 131 Y N 1.922 122.255 120.300 0.055 0.000 2.114 131 Y HA -0.207 4.344 4.550 0.000 0.000 0.282 131 Y C 2.331 178.263 175.900 0.054 0.000 1.165 131 Y CA 1.938 60.070 58.100 0.054 0.000 1.148 131 Y CB -0.912 37.577 38.460 0.048 0.000 0.972 131 Y HN 0.071 nan 8.280 nan 0.000 0.504 132 G N -0.121 108.665 108.800 -0.024 0.000 2.649 132 G HA2 -0.404 3.556 3.960 0.000 0.000 0.220 132 G HA3 -0.404 3.556 3.960 0.000 0.000 0.220 132 G C 1.838 176.656 174.900 -0.137 0.000 1.189 132 G CA 1.985 47.028 45.100 -0.096 0.000 0.777 132 G HN 0.688 nan 8.290 nan 0.000 0.602 133 A N 0.802 123.589 122.820 -0.056 0.000 1.841 133 A HA -0.025 4.296 4.320 0.000 0.000 0.214 133 A C 2.068 179.649 177.584 -0.006 0.000 1.195 133 A CA 2.204 54.231 52.037 -0.017 0.000 0.611 133 A CB -0.891 18.119 19.000 0.017 0.000 0.835 133 A HN 0.425 nan 8.150 nan 0.000 0.443 134 D N -0.537 119.861 120.400 -0.003 0.000 2.157 134 D HA -0.267 4.373 4.640 0.000 0.000 0.191 134 D C 1.861 178.142 176.300 -0.033 0.000 1.004 134 D CA 2.096 56.120 54.000 0.040 0.000 0.854 134 D CB -0.120 40.719 40.800 0.064 0.000 0.936 134 D HN 0.547 nan 8.370 nan 0.000 0.446 135 E N -0.875 119.162 120.200 -0.272 0.000 2.046 135 E HA -0.093 4.257 4.350 0.000 0.000 0.190 135 E C 2.022 178.530 176.600 -0.153 0.000 0.982 135 E CA 1.815 58.024 56.400 -0.318 0.000 0.800 135 E CB -0.597 28.651 29.700 -0.752 0.000 0.756 135 E HN 0.218 nan 8.360 nan 0.000 0.449 136 T N 0.586 115.071 114.554 -0.115 0.000 2.737 136 T HA -0.167 4.183 4.350 0.000 0.000 0.269 136 T C 1.353 176.089 174.700 0.059 0.000 1.040 136 T CA 1.386 63.468 62.100 -0.030 0.000 1.142 136 T CB -0.508 68.351 68.868 -0.014 0.000 0.861 136 T HN 0.221 nan 8.240 nan 0.000 0.456 137 F N 2.098 121.996 119.950 -0.087 0.000 2.146 137 F HA 0.093 4.620 4.527 0.000 0.000 0.298 137 F C 2.421 178.175 175.800 -0.077 0.000 1.096 137 F CA 0.782 58.744 58.000 -0.063 0.000 1.275 137 F CB -0.476 38.500 39.000 -0.040 0.000 1.008 137 F HN -0.066 nan 8.300 nan 0.000 0.480 138 R N 0.436 120.849 120.500 -0.145 0.000 2.088 138 R HA -0.200 4.140 4.340 0.000 0.000 0.232 138 R C 2.429 178.566 176.300 -0.272 0.000 1.136 138 R CA 1.752 57.690 56.100 -0.269 0.000 0.926 138 R CB -0.947 29.260 30.300 -0.154 0.000 0.837 138 R HN 0.319 nan 8.270 nan 0.000 0.429 139 A N 1.207 123.923 122.820 -0.172 0.000 1.896 139 A HA -0.243 4.077 4.320 0.000 0.000 0.220 139 A C 2.098 179.590 177.584 -0.153 0.000 1.206 139 A CA 1.725 53.675 52.037 -0.146 0.000 0.647 139 A CB -0.796 18.151 19.000 -0.088 0.000 0.828 139 A HN 0.333 nan 8.150 nan 0.000 0.455 140 L N -0.610 120.539 121.223 -0.124 0.000 1.989 140 L HA -0.152 4.188 4.340 0.000 0.000 0.211 140 L C 2.709 179.484 176.870 -0.158 0.000 1.071 140 L CA 1.733 56.517 54.840 -0.094 0.000 0.749 140 L CB -1.075 40.985 42.059 0.002 0.000 0.890 140 L HN 0.233 nan 8.230 nan 0.000 0.431 141 V N -0.570 119.165 119.914 -0.299 0.000 2.287 141 V HA -0.327 3.793 4.120 0.000 0.000 0.248 141 V C 2.689 178.625 176.094 -0.264 0.000 1.053 141 V CA 1.998 64.109 62.300 -0.316 0.000 1.027 141 V CB -0.629 30.887 31.823 -0.511 0.000 0.646 141 V HN 0.436 nan 8.190 nan 0.000 0.447 142 R N -0.101 120.147 120.500 -0.420 0.000 2.159 142 R HA -0.130 4.210 4.340 0.000 0.000 0.237 142 R C 2.046 178.221 176.300 -0.209 0.000 1.131 142 R CA 1.487 57.278 56.100 -0.514 0.000 0.982 142 R CB -0.286 29.696 30.300 -0.531 0.000 0.868 142 R HN 0.544 nan 8.270 nan 0.000 0.453 143 A N -0.592 122.137 122.820 -0.150 0.000 1.997 143 A HA 0.121 4.441 4.320 0.000 0.000 0.212 143 A C 1.739 179.293 177.584 -0.051 0.000 1.178 143 A CA 0.493 52.480 52.037 -0.082 0.000 0.698 143 A CB 0.207 19.164 19.000 -0.072 0.000 0.842 143 A HN 0.310 nan 8.150 nan 0.000 0.458 144 L N -1.464 119.728 121.223 -0.053 0.000 2.609 144 L HA 0.347 4.687 4.340 0.000 0.000 0.230 144 L C 1.185 178.047 176.870 -0.013 0.000 1.064 144 L CA 0.243 55.067 54.840 -0.027 0.000 0.873 144 L CB 0.104 42.150 42.059 -0.022 0.000 1.139 144 L HN 0.259 nan 8.230 nan 0.000 0.490 145 A N 1.163 123.976 122.820 -0.011 0.000 2.363 145 A HA 0.559 4.879 4.320 0.000 0.000 0.270 145 A C -0.248 177.353 177.584 0.029 0.000 1.121 145 A CA -0.229 51.815 52.037 0.011 0.000 0.800 145 A CB 0.399 19.409 19.000 0.017 0.000 1.052 145 A HN 0.040 nan 8.150 nan 0.000 0.493 146 V N -0.278 119.644 119.914 0.014 0.000 3.001 146 V HA 0.700 4.820 4.120 0.000 0.000 0.314 146 V C -2.925 173.168 176.094 -0.003 0.000 1.099 146 V CA -2.689 59.617 62.300 0.010 0.000 0.989 146 V CB 1.223 33.049 31.823 0.005 0.000 1.040 146 V HN 0.689 nan 8.190 nan 0.000 0.434 147 P HA 0.404 nan 4.420 nan 0.000 0.265 147 P C -0.702 176.588 177.300 -0.016 0.000 1.193 147 P CA 0.378 63.468 63.100 -0.017 0.000 0.765 147 P CB 0.252 31.942 31.700 -0.016 0.000 0.823 148 M N 0.630 120.216 119.600 -0.023 0.000 2.575 148 M HA 0.277 4.757 4.480 0.000 0.000 0.284 148 M C -0.055 176.224 176.300 -0.034 0.000 1.253 148 M CA -0.887 54.398 55.300 -0.025 0.000 0.861 148 M CB 2.584 35.168 32.600 -0.027 0.000 1.733 148 M HN 0.233 nan 8.290 nan 0.000 0.462 149 E N 1.196 121.378 120.200 -0.030 0.000 2.392 149 E HA 0.177 4.527 4.350 0.000 0.000 0.264 149 E C -0.572 175.992 176.600 -0.060 0.000 1.024 149 E CA -0.235 56.145 56.400 -0.034 0.000 0.903 149 E CB 0.829 30.518 29.700 -0.019 0.000 0.963 149 E HN 0.293 nan 8.360 nan 0.000 0.432 150 R N 1.290 121.738 120.500 -0.087 0.000 2.774 150 R HA 0.137 4.477 4.340 0.000 0.000 0.269 150 R C -0.374 175.853 176.300 -0.121 0.000 1.068 150 R CA 0.084 56.072 56.100 -0.186 0.000 1.180 150 R CB 0.385 30.518 30.300 -0.278 0.000 1.077 150 R HN 0.644 nan 8.270 nan 0.000 0.513 151 T N -0.377 114.085 114.554 -0.154 0.000 2.913 151 T HA 0.246 4.596 4.350 0.000 0.000 0.297 151 T C -1.771 172.999 174.700 0.118 0.000 1.029 151 T CA -1.452 60.648 62.100 0.000 0.000 1.104 151 T CB 1.102 69.992 68.868 0.036 0.000 0.964 151 T HN 0.354 nan 8.240 nan 0.000 0.532 152 P HA 0.043 nan 4.420 nan 0.000 0.221 152 P C 0.354 177.725 177.300 0.119 0.000 1.150 152 P CA 0.800 63.960 63.100 0.101 0.000 0.800 152 P CB 0.194 31.928 31.700 0.057 0.000 0.787 153 E N -0.013 120.259 120.200 0.119 0.000 2.301 153 E HA 0.165 4.515 4.350 0.000 0.000 0.275 153 E C -0.233 176.471 176.600 0.173 0.000 1.030 153 E CA -0.717 55.745 56.400 0.104 0.000 0.852 153 E CB 1.351 31.096 29.700 0.075 0.000 1.060 153 E HN -0.168 nan 8.360 nan 0.000 0.401 154 V N 3.874 123.829 119.914 0.068 0.000 2.450 154 V HA 0.062 4.182 4.120 0.000 0.000 0.281 154 V C 0.562 176.761 176.094 0.175 0.000 1.019 154 V CA 0.474 62.778 62.300 0.007 0.000 1.062 154 V CB -0.183 31.564 31.823 -0.127 0.000 0.979 154 V HN 0.753 nan 8.190 nan 0.000 0.477 155 T N 2.060 116.823 114.554 0.348 0.000 2.896 155 T HA 0.765 5.115 4.350 0.000 0.000 0.297 155 T C -0.499 174.238 174.700 0.060 0.000 1.108 155 T CA -0.701 61.499 62.100 0.167 0.000 1.004 155 T CB 1.833 70.766 68.868 0.108 0.000 1.159 155 T HN 0.947 nan 8.240 nan 0.000 0.499 156 C N 0.433 119.643 119.300 -0.149 0.000 3.236 156 C HA 0.820 5.280 4.460 0.000 0.000 0.312 156 C C -0.872 173.973 174.990 -0.242 0.000 1.374 156 C CA -1.073 57.693 59.018 -0.421 0.000 1.455 156 C CB 0.356 27.380 27.740 -1.194 0.000 1.834 156 C HN 1.069 nan 8.230 nan 0.000 0.460 157 N N 0.169 118.736 118.700 -0.222 0.000 2.443 157 N HA 0.678 5.418 4.740 0.000 0.000 0.295 157 N C -1.221 174.246 175.510 -0.071 0.000 1.076 157 N CA -0.533 52.463 53.050 -0.090 0.000 0.919 157 N CB 1.298 39.772 38.487 -0.022 0.000 1.176 157 N HN 0.597 nan 8.380 nan 0.000 0.487 158 L N 2.787 123.995 121.223 -0.025 0.000 2.265 158 L HA 0.438 4.778 4.340 0.000 0.000 0.289 158 L C -1.134 175.750 176.870 0.023 0.000 1.033 158 L CA -0.728 54.103 54.840 -0.015 0.000 0.814 158 L CB 0.553 42.596 42.059 -0.027 0.000 1.203 158 L HN 0.269 nan 8.230 nan 0.000 0.423 159 L N 2.883 124.132 121.223 0.043 0.000 2.333 159 L HA 0.714 5.054 4.340 0.000 0.000 0.280 159 L C 0.717 177.625 176.870 0.062 0.000 1.004 159 L CA 0.114 55.024 54.840 0.116 0.000 0.820 159 L CB 1.364 43.545 42.059 0.203 0.000 1.247 159 L HN 0.778 nan 8.230 nan 0.000 0.416 160 G N 2.609 111.394 108.800 -0.024 0.000 2.284 160 G HA2 -0.118 3.842 3.960 0.000 0.000 0.201 160 G HA3 -0.118 3.842 3.960 0.000 0.000 0.201 160 G C 0.400 175.357 174.900 0.097 0.000 0.998 160 G CA -0.128 45.006 45.100 0.057 0.000 0.651 160 G HN 0.952 nan 8.290 nan 0.000 0.489 161 A N 1.491 124.342 122.820 0.052 0.000 2.484 161 A HA 0.622 4.942 4.320 0.000 0.000 0.268 161 A C 0.878 178.518 177.584 0.094 0.000 1.114 161 A CA 1.613 53.693 52.037 0.072 0.000 0.780 161 A CB -0.218 18.819 19.000 0.061 0.000 1.061 161 A HN 1.772 nan 8.150 nan 0.000 0.505 162 T N -0.342 114.418 114.554 0.344 0.000 2.910 162 T HA 0.781 5.131 4.350 0.000 0.000 0.287 162 T C 0.193 174.965 174.700 0.120 0.000 1.050 162 T CA -0.208 61.964 62.100 0.121 0.000 1.011 162 T CB 1.346 70.240 68.868 0.043 0.000 1.195 162 T HN 1.513 nan 8.240 nan 0.000 0.540 163 A N 1.900 124.771 122.820 0.084 0.000 2.425 163 A HA 0.538 4.858 4.320 0.000 0.000 0.242 163 A C 1.240 178.926 177.584 0.171 0.000 1.077 163 A CA -0.439 51.690 52.037 0.153 0.000 0.781 163 A CB -0.588 18.507 19.000 0.158 0.000 1.020 163 A HN 1.708 nan 8.150 nan 0.000 0.494 164 L N -0.390 120.917 121.223 0.140 0.000 4.232 164 L HA -0.178 4.162 4.340 0.000 0.000 0.415 164 L C 0.664 177.578 176.870 0.073 0.000 1.168 164 L CA 0.845 55.675 54.840 -0.017 0.000 0.966 164 L CB -1.436 40.471 42.059 -0.254 0.000 2.052 164 L HN 1.163 nan 8.230 nan 0.000 0.887 165 G N -0.135 108.582 108.800 -0.137 0.000 2.367 165 G HA2 0.377 4.338 3.960 0.000 0.000 0.314 165 G HA3 0.377 4.338 3.960 0.000 0.000 0.314 165 G C -0.715 173.824 174.900 -0.602 0.000 1.130 165 G CA -0.499 44.073 45.100 -0.879 0.000 0.864 165 G HN 0.172 nan 8.290 nan 0.000 0.486 166 F N 3.333 122.957 119.950 -0.543 0.000 2.533 166 F HA 0.245 4.772 4.527 0.000 0.000 0.378 166 F C 1.372 177.094 175.800 -0.130 0.000 1.070 166 F CA -0.566 57.211 58.000 -0.373 0.000 1.172 166 F CB 0.389 39.209 39.000 -0.300 0.000 1.085 166 F HN 0.513 nan 8.300 nan 0.000 0.552 167 R N 3.651 123.599 120.500 -0.921 0.000 3.610 167 R HA -0.295 4.045 4.340 0.000 0.000 0.274 167 R C 0.822 177.080 176.300 -0.070 0.000 1.123 167 R CA 1.113 56.861 56.100 -0.587 0.000 0.747 167 R CB -2.783 27.084 30.300 -0.722 0.000 1.149 167 R HN 0.784 nan 8.270 nan 0.000 0.471 168 H N 0.201 119.180 119.070 -0.152 0.000 2.357 168 H HA 0.010 4.566 4.556 0.000 0.000 0.301 168 H C 2.145 177.492 175.328 0.031 0.000 1.082 168 H CA 1.797 57.859 56.048 0.023 0.000 1.342 168 H CB -0.022 29.735 29.762 -0.008 0.000 1.389 168 H HN 0.402 nan 8.280 nan 0.000 0.511 169 R N 0.649 121.223 120.500 0.124 0.000 2.094 169 R HA -0.155 4.185 4.340 0.000 0.000 0.239 169 R C 1.015 177.349 176.300 0.057 0.000 1.137 169 R CA 2.243 58.396 56.100 0.088 0.000 0.943 169 R CB -0.027 30.320 30.300 0.078 0.000 0.850 169 R HN 0.265 nan 8.270 nan 0.000 0.433 170 D N 0.001 120.385 120.400 -0.026 0.000 2.213 170 D HA -0.059 4.581 4.640 0.000 0.000 0.205 170 D C 1.408 177.654 176.300 -0.090 0.000 0.961 170 D CA 0.706 54.652 54.000 -0.090 0.000 0.853 170 D CB -0.264 40.277 40.800 -0.432 0.000 0.967 170 D HN 0.240 nan 8.370 nan 0.000 0.496 171 D N 0.491 120.843 120.400 -0.080 0.000 2.087 171 D HA -0.121 4.519 4.640 0.000 0.000 0.192 171 D C 2.256 178.526 176.300 -0.050 0.000 0.993 171 D CA 0.590 54.545 54.000 -0.074 0.000 0.828 171 D CB -0.444 40.343 40.800 -0.020 0.000 0.968 171 D HN -0.019 nan 8.370 nan 0.000 0.448 172 V N 1.083 120.993 119.914 -0.007 0.000 2.439 172 V HA -0.296 3.824 4.120 0.000 0.000 0.253 172 V C 2.340 178.450 176.094 0.027 0.000 1.074 172 V CA 1.960 64.261 62.300 0.002 0.000 1.076 172 V CB -0.680 31.163 31.823 0.033 0.000 0.664 172 V HN 0.233 nan 8.190 nan 0.000 0.461 173 A N -0.519 122.342 122.820 0.070 0.000 1.898 173 A HA -0.169 4.151 4.320 0.000 0.000 0.214 173 A C 2.188 179.838 177.584 0.111 0.000 1.183 173 A CA 1.639 53.744 52.037 0.113 0.000 0.622 173 A CB -0.370 18.760 19.000 0.216 0.000 0.824 173 A HN 0.545 nan 8.150 nan 0.000 0.444 174 E N -0.146 120.122 120.200 0.113 0.000 2.107 174 E HA -0.075 4.275 4.350 0.000 0.000 0.191 174 E C 1.761 178.367 176.600 0.009 0.000 0.982 174 E CA 1.288 57.741 56.400 0.089 0.000 0.809 174 E CB -0.215 29.517 29.700 0.055 0.000 0.756 174 E HN 0.232 nan 8.360 nan 0.000 0.459 175 V N 0.431 120.323 119.914 -0.037 0.000 2.407 175 V HA -0.263 3.857 4.120 0.000 0.000 0.248 175 V C 2.243 178.354 176.094 0.028 0.000 1.055 175 V CA 2.106 64.379 62.300 -0.046 0.000 1.049 175 V CB -0.961 30.792 31.823 -0.118 0.000 0.662 175 V HN 0.350 nan 8.190 nan 0.000 0.455 176 T N -0.233 114.337 114.554 0.027 0.000 2.635 176 T HA -0.283 4.067 4.350 0.000 0.000 0.267 176 T C 1.965 176.695 174.700 0.050 0.000 1.040 176 T CA 1.892 64.016 62.100 0.040 0.000 1.156 176 T CB -0.283 68.605 68.868 0.033 0.000 0.863 176 T HN 0.435 nan 8.240 nan 0.000 0.430 177 K N 0.508 120.938 120.400 0.051 0.000 2.074 177 K HA -0.055 4.265 4.320 0.000 0.000 0.209 177 K C 2.252 178.894 176.600 0.070 0.000 1.048 177 K CA 1.152 57.473 56.287 0.057 0.000 0.926 177 K CB -0.418 32.121 32.500 0.065 0.000 0.713 177 K HN 0.287 nan 8.250 nan 0.000 0.444 178 L N 0.592 121.855 121.223 0.068 0.000 2.042 178 L HA -0.235 4.105 4.340 0.000 0.000 0.210 178 L C 2.253 179.182 176.870 0.098 0.000 1.076 178 L CA 1.253 56.142 54.840 0.080 0.000 0.749 178 L CB -0.394 41.704 42.059 0.065 0.000 0.893 178 L HN 0.203 nan 8.230 nan 0.000 0.432 179 L N -0.879 120.406 121.223 0.104 0.000 2.072 179 L HA -0.097 4.243 4.340 0.000 0.000 0.205 179 L C 2.881 179.795 176.870 0.073 0.000 1.079 179 L CA 0.922 55.822 54.840 0.101 0.000 0.752 179 L CB -0.791 41.337 42.059 0.115 0.000 0.906 179 L HN 0.184 nan 8.230 nan 0.000 0.436 180 A N 0.050 122.907 122.820 0.062 0.000 1.948 180 A HA -0.228 4.092 4.320 0.000 0.000 0.220 180 A C 2.323 179.935 177.584 0.047 0.000 1.177 180 A CA 2.463 54.529 52.037 0.048 0.000 0.636 180 A CB -1.050 17.974 19.000 0.040 0.000 0.815 180 A HN 0.429 nan 8.150 nan 0.000 0.449 181 T N -0.726 113.862 114.554 0.058 0.000 3.007 181 T HA -0.020 4.330 4.350 0.000 0.000 0.270 181 T C 1.478 176.209 174.700 0.051 0.000 1.107 181 T CA 1.449 63.584 62.100 0.059 0.000 1.118 181 T CB -0.183 68.737 68.868 0.086 0.000 0.889 181 T HN 0.445 nan 8.240 nan 0.000 0.506 182 M N 0.249 119.878 119.600 0.048 0.000 2.383 182 M HA 0.299 4.779 4.480 0.000 0.000 0.247 182 M C 1.201 177.516 176.300 0.024 0.000 1.117 182 M CA -0.080 55.238 55.300 0.031 0.000 0.995 182 M CB 0.636 33.250 32.600 0.022 0.000 1.480 182 M HN 0.379 nan 8.290 nan 0.000 0.485 183 G N 2.143 110.962 108.800 0.031 0.000 2.198 183 G HA2 -0.239 3.722 3.960 0.000 0.000 0.257 183 G HA3 -0.239 3.722 3.960 0.000 0.000 0.257 183 G C -0.212 174.711 174.900 0.037 0.000 1.042 183 G CA -0.002 45.114 45.100 0.027 0.000 0.791 183 G HN 0.501 nan 8.290 nan 0.000 0.502 184 I N -0.570 120.033 120.570 0.056 0.000 2.530 184 I HA 0.505 4.675 4.170 0.000 0.000 0.297 184 I C 0.247 176.403 176.117 0.065 0.000 1.011 184 I CA -0.899 60.450 61.300 0.082 0.000 1.107 184 I CB 1.973 40.057 38.000 0.141 0.000 1.285 184 I HN -0.093 nan 8.210 nan 0.000 0.436 185 K N 4.066 124.501 120.400 0.058 0.000 2.259 185 K HA 0.537 4.857 4.320 0.000 0.000 0.249 185 K C -1.076 175.534 176.600 0.015 0.000 0.942 185 K CA -0.901 55.408 56.287 0.037 0.000 0.816 185 K CB 2.774 35.296 32.500 0.037 0.000 1.155 185 K HN 0.269 nan 8.250 nan 0.000 0.428 186 V N 3.363 123.280 119.914 0.006 0.000 2.446 186 V HA -0.081 4.039 4.120 0.000 0.000 0.276 186 V C 1.384 177.474 176.094 -0.006 0.000 1.030 186 V CA 0.001 62.293 62.300 -0.013 0.000 1.033 186 V CB 0.234 32.054 31.823 -0.005 0.000 0.993 186 V HN 0.786 nan 8.190 nan 0.000 0.477 187 N N 5.305 123.995 118.700 -0.017 0.000 2.047 187 N HA -0.080 4.660 4.740 0.000 0.000 0.193 187 N C 0.189 175.698 175.510 -0.001 0.000 1.055 187 N CA 1.383 54.429 53.050 -0.007 0.000 0.847 187 N CB 0.206 38.683 38.487 -0.017 0.000 1.038 187 N HN 0.466 nan 8.380 nan 0.000 0.427 188 V N -0.326 119.587 119.914 -0.002 0.000 2.733 188 V HA 0.284 4.404 4.120 0.000 0.000 0.306 188 V C -1.020 175.085 176.094 0.019 0.000 1.084 188 V CA -1.120 61.188 62.300 0.014 0.000 0.905 188 V CB 1.412 33.251 31.823 0.027 0.000 1.010 188 V HN 0.385 nan 8.190 nan 0.000 0.424 189 C N 5.646 124.957 119.300 0.019 0.000 2.265 189 C HA 0.888 5.348 4.460 0.000 0.000 0.332 189 C C 0.482 175.486 174.990 0.024 0.000 1.248 189 C CA 0.014 59.042 59.018 0.017 0.000 1.727 189 C CB -0.756 26.989 27.740 0.009 0.000 2.348 189 C HN 1.086 nan 8.230 nan 0.000 0.519 190 A N 7.249 130.088 122.820 0.033 0.000 2.435 190 A HA 0.806 5.126 4.320 0.000 0.000 0.304 190 A C -2.307 175.091 177.584 -0.309 0.000 1.064 190 A CA -1.155 50.884 52.037 0.003 0.000 0.727 190 A CB 1.372 20.525 19.000 0.255 0.000 1.284 190 A HN 0.526 nan 8.150 nan 0.000 0.415 191 P HA -0.065 nan 4.420 nan 0.000 0.213 191 P C 0.629 177.863 177.300 -0.110 0.000 1.170 191 P CA 0.279 63.204 63.100 -0.291 0.000 0.893 191 P CB -0.110 31.377 31.700 -0.355 0.000 0.784 192 L N 0.022 121.192 121.223 -0.088 0.000 2.822 192 L HA -0.032 4.308 4.340 0.000 0.000 0.288 192 L C 1.466 178.333 176.870 -0.005 0.000 1.182 192 L CA 1.930 56.759 54.840 -0.017 0.000 0.936 192 L CB -1.210 40.869 42.059 0.033 0.000 1.269 192 L HN 0.520 nan 8.230 nan 0.000 0.476 193 G N 2.309 111.107 108.800 -0.004 0.000 2.336 193 G HA2 -0.223 3.737 3.960 0.000 0.000 0.233 193 G HA3 -0.223 3.737 3.960 0.000 0.000 0.233 193 G C 0.511 175.412 174.900 0.001 0.000 1.053 193 G CA 0.153 45.254 45.100 0.002 0.000 0.625 193 G HN 1.323 nan 8.290 nan 0.000 0.511 194 A N 0.423 123.247 122.820 0.005 0.000 2.351 194 A HA 0.757 5.077 4.320 0.000 0.000 0.257 194 A C 0.804 178.396 177.584 0.014 0.000 1.087 194 A CA 1.178 53.226 52.037 0.019 0.000 0.798 194 A CB 0.580 19.608 19.000 0.046 0.000 1.033 194 A HN 2.029 nan 8.150 nan 0.000 0.488 195 S N 0.999 116.709 115.700 0.017 0.000 2.664 195 S HA 0.628 5.098 4.470 0.000 0.000 0.304 195 S C -2.297 172.316 174.600 0.021 0.000 1.099 195 S CA -1.338 56.869 58.200 0.011 0.000 1.003 195 S CB 1.474 64.678 63.200 0.006 0.000 1.092 195 S HN 0.318 nan 8.310 nan 0.000 0.525 196 P HA -0.120 nan 4.420 nan 0.000 0.217 196 P C 0.386 177.696 177.300 0.016 0.000 1.151 196 P CA 1.458 64.569 63.100 0.018 0.000 0.849 196 P CB -0.063 31.644 31.700 0.012 0.000 0.787 197 D N -1.173 119.236 120.400 0.014 0.000 2.117 197 D HA -0.130 4.510 4.640 0.000 0.000 0.198 197 D C 1.602 177.910 176.300 0.015 0.000 0.982 197 D CA 1.004 55.011 54.000 0.012 0.000 0.828 197 D CB -0.857 39.949 40.800 0.010 0.000 0.967 197 D HN 0.129 nan 8.370 nan 0.000 0.464 198 D N 0.021 120.432 120.400 0.019 0.000 2.133 198 D HA -0.133 4.507 4.640 0.000 0.000 0.195 198 D C 2.061 178.379 176.300 0.029 0.000 0.997 198 D CA 0.514 54.528 54.000 0.023 0.000 0.840 198 D CB -0.238 40.579 40.800 0.027 0.000 0.947 198 D HN 0.127 nan 8.370 nan 0.000 0.452 199 L N 0.744 121.990 121.223 0.037 0.000 2.131 199 L HA -0.100 4.240 4.340 0.000 0.000 0.210 199 L C 2.348 179.227 176.870 0.015 0.000 1.092 199 L CA 1.315 56.177 54.840 0.038 0.000 0.759 199 L CB -0.360 41.724 42.059 0.042 0.000 0.903 199 L HN -0.045 nan 8.230 nan 0.000 0.435 200 R N -0.836 119.670 120.500 0.010 0.000 2.193 200 R HA -0.122 4.218 4.340 0.000 0.000 0.229 200 R C 1.764 178.066 176.300 0.003 0.000 1.110 200 R CA 0.681 56.784 56.100 0.004 0.000 0.988 200 R CB -0.162 30.141 30.300 0.004 0.000 0.871 200 R HN 0.203 nan 8.270 nan 0.000 0.458 201 K N 0.688 121.091 120.400 0.005 0.000 2.361 201 K HA 0.061 4.381 4.320 0.000 0.000 0.196 201 K C 1.942 178.540 176.600 -0.003 0.000 1.039 201 K CA 0.365 56.652 56.287 0.001 0.000 1.001 201 K CB -0.005 32.497 32.500 0.003 0.000 0.795 201 K HN 0.193 nan 8.250 nan 0.000 0.495 202 L N 0.261 121.486 121.223 0.003 0.000 2.103 202 L HA -0.228 4.112 4.340 0.000 0.000 0.215 202 L C 2.205 179.067 176.870 -0.012 0.000 1.080 202 L CA 1.723 56.564 54.840 0.001 0.000 0.764 202 L CB -0.953 41.110 42.059 0.008 0.000 0.890 202 L HN 0.252 nan 8.230 nan 0.000 0.435 203 G N -0.562 108.228 108.800 -0.016 0.000 2.625 203 G HA2 -0.213 3.747 3.960 0.000 0.000 0.214 203 G HA3 -0.213 3.747 3.960 0.000 0.000 0.214 203 G C 1.416 176.288 174.900 -0.045 0.000 1.132 203 G CA 0.640 45.724 45.100 -0.025 0.000 0.782 203 G HN 0.669 nan 8.290 nan 0.000 0.538 204 Q N -0.419 119.349 119.800 -0.053 0.000 2.402 204 Q HA 0.497 4.837 4.340 0.000 0.000 0.206 204 Q C 1.296 177.213 176.000 -0.139 0.000 0.919 204 Q CA 0.316 56.066 55.803 -0.088 0.000 0.923 204 Q CB 0.050 28.750 28.738 -0.062 0.000 1.048 204 Q HN 0.219 nan 8.270 nan 0.000 0.515 205 A N 1.362 124.130 122.820 -0.086 0.000 2.483 205 A HA 0.028 4.348 4.320 0.000 0.000 0.238 205 A C 0.314 177.861 177.584 -0.063 0.000 1.070 205 A CA -0.201 51.795 52.037 -0.069 0.000 0.770 205 A CB 0.063 19.031 19.000 -0.053 0.000 1.008 205 A HN 0.403 nan 8.150 nan 0.000 0.497 206 H N 1.122 120.239 119.070 0.080 0.000 2.363 206 H HA 0.039 4.595 4.556 0.000 0.000 0.301 206 H C 0.455 175.951 175.328 0.280 0.000 1.074 206 H CA 2.253 58.407 56.048 0.176 0.000 1.354 206 H CB 0.014 29.922 29.762 0.243 0.000 1.397 206 H HN 0.758 nan 8.280 nan 0.000 0.516 207 F N -1.111 118.928 119.950 0.149 0.000 2.950 207 F HA 0.546 5.073 4.527 0.000 0.000 0.327 207 F C -1.253 174.616 175.800 0.115 0.000 1.197 207 F CA -1.404 56.663 58.000 0.111 0.000 0.954 207 F CB 1.311 40.361 39.000 0.083 0.000 1.442 207 F HN -0.338 nan 8.300 nan 0.000 0.509 208 N N 0.092 118.854 118.700 0.104 0.000 2.229 208 N HA 0.527 5.267 4.740 0.000 0.000 0.298 208 N C -1.770 173.827 175.510 0.145 0.000 1.114 208 N CA -0.585 52.470 53.050 0.009 0.000 0.776 208 N CB 2.707 41.283 38.487 0.148 0.000 1.501 208 N HN 0.520 nan 8.380 nan 0.000 0.474 209 V N 2.019 121.968 119.914 0.059 0.000 2.318 209 V HA 0.273 4.393 4.120 0.000 0.000 0.271 209 V C 0.447 176.620 176.094 0.132 0.000 1.030 209 V CA -0.685 61.730 62.300 0.191 0.000 0.844 209 V CB 1.077 33.005 31.823 0.174 0.000 1.015 209 V HN 0.473 nan 8.190 nan 0.000 0.460 210 L N 6.170 127.518 121.223 0.208 0.000 2.385 210 L HA 0.258 4.598 4.340 0.000 0.000 0.285 210 L C 1.190 178.047 176.870 -0.021 0.000 1.125 210 L CA 0.084 55.003 54.840 0.132 0.000 0.890 210 L CB 0.789 43.010 42.059 0.271 0.000 1.251 210 L HN 0.762 nan 8.230 nan 0.000 0.445 211 M N 4.092 123.594 119.600 -0.164 0.000 2.236 211 M HA -0.049 4.431 4.480 0.000 0.000 0.266 211 M C -0.531 175.310 176.300 -0.764 0.000 1.070 211 M CA 1.471 56.450 55.300 -0.533 0.000 1.137 211 M CB 0.186 32.397 32.600 -0.649 0.000 1.378 211 M HN 0.426 nan 8.290 nan 0.000 0.426 212 Y N -1.788 118.478 120.300 -0.057 0.000 2.344 212 Y HA 0.265 4.815 4.550 0.000 0.000 0.328 212 Y C -2.081 173.837 175.900 0.030 0.000 1.067 212 Y CA -2.033 56.056 58.100 -0.019 0.000 1.247 212 Y CB 0.508 38.961 38.460 -0.012 0.000 1.113 212 Y HN -0.065 nan 8.280 nan 0.000 0.465 213 P HA -0.259 nan 4.420 nan 0.000 0.215 213 P C 1.347 178.730 177.300 0.139 0.000 1.163 213 P CA 2.043 65.221 63.100 0.130 0.000 0.894 213 P CB 0.390 32.156 31.700 0.110 0.000 0.791 214 E N -0.672 119.619 120.200 0.151 0.000 2.267 214 E HA -0.153 4.197 4.350 0.000 0.000 0.197 214 E C 1.161 177.843 176.600 0.136 0.000 0.998 214 E CA 1.984 58.461 56.400 0.130 0.000 0.830 214 E CB -1.522 28.243 29.700 0.108 0.000 0.751 214 E HN 0.394 nan 8.360 nan 0.000 0.491 215 T N -4.366 110.281 114.554 0.154 0.000 3.091 215 T HA 0.503 4.853 4.350 0.000 0.000 0.277 215 T C 1.208 176.009 174.700 0.168 0.000 0.996 215 T CA 0.088 62.269 62.100 0.134 0.000 0.897 215 T CB 0.774 69.705 68.868 0.106 0.000 1.109 215 T HN 0.205 nan 8.240 nan 0.000 0.534 216 G N 0.864 109.772 108.800 0.181 0.000 2.801 216 G HA2 0.167 4.127 3.960 0.000 0.000 0.191 216 G HA3 0.167 4.127 3.960 0.000 0.000 0.191 216 G C 0.957 175.915 174.900 0.096 0.000 1.223 216 G CA 0.368 45.607 45.100 0.231 0.000 0.904 216 G HN 0.356 nan 8.290 nan 0.000 0.789 217 E N 1.555 121.782 120.200 0.045 0.000 2.114 217 E HA -0.175 4.175 4.350 0.000 0.000 0.199 217 E C 2.412 178.954 176.600 -0.096 0.000 1.008 217 E CA 2.180 58.549 56.400 -0.051 0.000 0.810 217 E CB -0.334 29.387 29.700 0.036 0.000 0.739 217 E HN 0.263 nan 8.360 nan 0.000 0.456 218 S N -0.717 114.978 115.700 -0.009 0.000 2.356 218 S HA -0.127 4.343 4.470 0.000 0.000 0.223 218 S C 1.937 176.497 174.600 -0.068 0.000 1.032 218 S CA 1.136 59.326 58.200 -0.016 0.000 1.005 218 S CB -0.480 62.729 63.200 0.016 0.000 0.867 218 S HN 0.543 nan 8.310 nan 0.000 0.449 219 A N 1.143 123.903 122.820 -0.100 0.000 1.969 219 A HA 0.220 4.540 4.320 0.000 0.000 0.218 219 A C 2.283 179.778 177.584 -0.150 0.000 1.169 219 A CA 1.545 53.463 52.037 -0.198 0.000 0.635 219 A CB -0.909 17.790 19.000 -0.501 0.000 0.810 219 A HN 0.504 nan 8.150 nan 0.000 0.445 220 A N 0.173 122.859 122.820 -0.223 0.000 1.877 220 A HA -0.180 4.140 4.320 0.000 0.000 0.216 220 A C 2.245 179.571 177.584 -0.429 0.000 1.186 220 A CA 1.557 53.333 52.037 -0.435 0.000 0.620 220 A CB -0.497 17.945 19.000 -0.930 0.000 0.822 220 A HN 0.543 nan 8.150 nan 0.000 0.443 221 R N -1.678 118.597 120.500 -0.375 0.000 2.083 221 R HA -0.198 4.142 4.340 0.000 0.000 0.237 221 R C 2.296 178.587 176.300 -0.016 0.000 1.137 221 R CA 1.825 57.858 56.100 -0.112 0.000 0.951 221 R CB -0.632 29.648 30.300 -0.033 0.000 0.851 221 R HN 0.819 nan 8.270 nan 0.000 0.434 222 H N 0.887 119.900 119.070 -0.094 0.000 2.352 222 H HA -0.040 4.516 4.556 0.000 0.000 0.299 222 H C 1.803 177.100 175.328 -0.051 0.000 1.097 222 H CA 1.565 57.571 56.048 -0.069 0.000 1.311 222 H CB -0.163 29.537 29.762 -0.103 0.000 1.377 222 H HN 0.071 nan 8.280 nan 0.000 0.504 223 L N 0.052 121.214 121.223 -0.103 0.000 2.456 223 L HA -0.067 4.273 4.340 0.000 0.000 0.224 223 L C 2.343 179.182 176.870 -0.053 0.000 1.148 223 L CA 1.180 55.959 54.840 -0.102 0.000 0.825 223 L CB -0.271 41.775 42.059 -0.023 0.000 0.937 223 L HN 0.482 nan 8.230 nan 0.000 0.450 224 E N 0.375 120.570 120.200 -0.008 0.000 2.060 224 E HA -0.121 4.229 4.350 0.000 0.000 0.189 224 E C 2.296 178.889 176.600 -0.012 0.000 0.974 224 E CA 0.360 56.797 56.400 0.062 0.000 0.808 224 E CB 0.219 30.036 29.700 0.196 0.000 0.768 224 E HN 0.315 nan 8.360 nan 0.000 0.453 225 R N 0.469 120.931 120.500 -0.062 0.000 2.097 225 R HA -0.183 4.157 4.340 0.000 0.000 0.236 225 R C 2.418 178.635 176.300 -0.139 0.000 1.135 225 R CA 1.585 57.631 56.100 -0.090 0.000 0.934 225 R CB -0.542 29.695 30.300 -0.106 0.000 0.846 225 R HN 0.171 nan 8.270 nan 0.000 0.431 226 A N 0.752 123.403 122.820 -0.281 0.000 1.872 226 A HA -0.093 4.227 4.320 0.000 0.000 0.214 226 A C 1.694 179.199 177.584 -0.132 0.000 1.187 226 A CA 1.236 53.115 52.037 -0.263 0.000 0.614 226 A CB -0.027 18.679 19.000 -0.489 0.000 0.826 226 A HN 0.612 nan 8.150 nan 0.000 0.442 227 C N -2.262 116.975 119.300 -0.105 0.000 2.778 227 C HA 0.643 5.104 4.460 0.000 0.000 0.252 227 C C 0.488 175.470 174.990 -0.014 0.000 1.693 227 C CA -0.807 58.182 59.018 -0.049 0.000 1.724 227 C CB -0.773 26.942 27.740 -0.042 0.000 3.153 227 C HN 0.532 nan 8.230 nan 0.000 0.493 228 K N 0.028 120.424 120.400 -0.007 0.000 3.193 228 K HA -0.249 4.071 4.320 0.000 0.000 0.294 228 K C -0.116 176.518 176.600 0.056 0.000 1.185 228 K CA 1.065 57.365 56.287 0.021 0.000 0.866 228 K CB -1.719 30.791 32.500 0.017 0.000 1.227 228 K HN 0.808 nan 8.250 nan 0.000 0.467 229 Q N 0.845 120.689 119.800 0.072 0.000 2.377 229 Q HA 0.208 4.548 4.340 0.000 0.000 0.249 229 Q C -2.153 173.964 176.000 0.196 0.000 1.005 229 Q CA -2.074 53.807 55.803 0.130 0.000 0.912 229 Q CB 1.076 29.879 28.738 0.109 0.000 1.223 229 Q HN 0.070 nan 8.270 nan 0.000 0.459 230 P HA 0.084 nan 4.420 nan 0.000 0.274 230 P C -1.023 176.467 177.300 0.316 0.000 1.246 230 P CA -0.115 63.091 63.100 0.177 0.000 0.795 230 P CB 0.489 32.224 31.700 0.059 0.000 1.006 231 F N -2.308 117.723 119.950 0.135 0.000 2.588 231 F HA 0.611 5.138 4.527 0.000 0.000 0.314 231 F C -0.051 175.845 175.800 0.161 0.000 1.069 231 F CA -1.202 56.899 58.000 0.168 0.000 0.931 231 F CB 0.651 39.723 39.000 0.121 0.000 1.260 231 F HN 0.242 nan 8.300 nan 0.000 0.465 232 T N -0.023 114.721 114.554 0.317 0.000 2.870 232 T HA 0.254 4.604 4.350 0.000 0.000 0.300 232 T C 0.215 175.016 174.700 0.168 0.000 0.989 232 T CA -0.788 61.445 62.100 0.222 0.000 1.139 232 T CB 0.803 69.937 68.868 0.444 0.000 0.920 232 T HN 0.730 nan 8.240 nan 0.000 0.537 233 K N 2.777 123.197 120.400 0.033 0.000 2.397 233 K HA 0.331 4.651 4.320 0.000 0.000 0.202 233 K C -0.017 176.629 176.600 0.077 0.000 1.022 233 K CA -0.029 56.275 56.287 0.029 0.000 1.141 233 K CB 0.231 32.683 32.500 -0.080 0.000 0.857 233 K HN 0.695 nan 8.250 nan 0.000 0.514 234 I N 1.232 121.878 120.570 0.127 0.000 2.478 234 I HA 0.168 4.338 4.170 0.000 0.000 0.287 234 I C -0.461 175.686 176.117 0.050 0.000 1.042 234 I CA -1.116 60.247 61.300 0.105 0.000 1.067 234 I CB 2.413 40.497 38.000 0.141 0.000 1.233 234 I HN -0.353 nan 8.210 nan 0.000 0.431 235 V N 7.960 127.836 119.914 -0.064 0.000 2.432 235 V HA 0.193 4.314 4.120 0.000 0.000 0.271 235 V C -1.784 174.139 176.094 -0.285 0.000 1.046 235 V CA -1.348 60.815 62.300 -0.228 0.000 0.945 235 V CB 0.782 32.477 31.823 -0.214 0.000 0.992 235 V HN 0.577 nan 8.190 nan 0.000 0.471 236 P HA 0.247 nan 4.420 nan 0.000 0.235 236 P C -0.467 176.649 177.300 -0.306 0.000 1.765 236 P CA 0.337 63.167 63.100 -0.450 0.000 1.034 236 P CB -0.158 31.053 31.700 -0.816 0.000 1.984 237 I N 1.301 121.755 120.570 -0.193 0.000 2.382 237 I HA 0.581 4.751 4.170 0.000 0.000 0.286 237 I C 0.563 176.645 176.117 -0.058 0.000 1.002 237 I CA -0.081 61.144 61.300 -0.125 0.000 1.135 237 I CB 1.590 39.527 38.000 -0.104 0.000 1.288 237 I HN 0.317 nan 8.210 nan 0.000 0.448 238 G N 3.622 112.390 108.800 -0.054 0.000 2.712 238 G HA2 -0.119 3.841 3.960 0.000 0.000 0.686 238 G HA3 -0.119 3.841 3.960 0.000 0.000 0.686 238 G C 0.229 175.141 174.900 0.019 0.000 1.181 238 G CA -0.598 44.497 45.100 -0.009 0.000 0.762 238 G HN 0.399 nan 8.290 nan 0.000 0.641 239 V N 2.324 122.284 119.914 0.077 0.000 2.250 239 V HA -0.173 3.947 4.120 0.000 0.000 0.250 239 V C 3.260 179.436 176.094 0.136 0.000 1.060 239 V CA 3.619 66.019 62.300 0.167 0.000 1.030 239 V CB -1.209 30.718 31.823 0.173 0.000 0.643 239 V HN 1.646 nan 8.190 nan 0.000 0.445 240 G N -0.751 108.108 108.800 0.098 0.000 2.446 240 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 240 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 240 G C 1.736 176.680 174.900 0.074 0.000 1.168 240 G CA 1.139 46.290 45.100 0.085 0.000 0.771 240 G HN 0.659 nan 8.290 nan 0.000 0.551 241 A N 0.122 122.974 122.820 0.054 0.000 1.930 241 A HA 0.049 4.369 4.320 0.000 0.000 0.217 241 A C 2.529 180.146 177.584 0.056 0.000 1.175 241 A CA 2.305 54.367 52.037 0.043 0.000 0.627 241 A CB -0.795 18.210 19.000 0.008 0.000 0.815 241 A HN 0.299 nan 8.150 nan 0.000 0.443 242 T N -0.102 114.457 114.554 0.009 0.000 2.684 242 T HA -0.168 4.182 4.350 0.000 0.000 0.267 242 T C 2.057 176.817 174.700 0.099 0.000 1.036 242 T CA 1.657 63.750 62.100 -0.011 0.000 1.148 242 T CB -0.244 68.467 68.868 -0.260 0.000 0.863 242 T HN 0.522 nan 8.240 nan 0.000 0.436 243 R N 0.938 121.505 120.500 0.112 0.000 2.083 243 R HA -0.103 4.237 4.340 0.000 0.000 0.237 243 R C 2.297 178.646 176.300 0.082 0.000 1.137 243 R CA 1.776 57.947 56.100 0.119 0.000 0.951 243 R CB -0.352 30.021 30.300 0.120 0.000 0.851 243 R HN 0.349 nan 8.270 nan 0.000 0.434 244 D N -0.062 120.388 120.400 0.084 0.000 2.117 244 D HA -0.176 4.464 4.640 0.000 0.000 0.197 244 D C 1.464 177.815 176.300 0.085 0.000 0.987 244 D CA 0.950 54.990 54.000 0.067 0.000 0.829 244 D CB -0.250 40.590 40.800 0.067 0.000 0.961 244 D HN 0.076 nan 8.370 nan 0.000 0.460 245 F N 1.254 121.185 119.950 -0.032 0.000 2.031 245 F HA -0.139 4.388 4.527 0.000 0.000 0.295 245 F C 1.995 177.776 175.800 -0.032 0.000 1.133 245 F CA 1.341 59.319 58.000 -0.038 0.000 1.188 245 F CB -0.559 38.405 39.000 -0.059 0.000 0.974 245 F HN -0.105 nan 8.300 nan 0.000 0.473 246 L N 0.147 121.295 121.223 -0.125 0.000 2.079 246 L HA -0.220 4.120 4.340 0.000 0.000 0.210 246 L C 2.771 179.531 176.870 -0.184 0.000 1.081 246 L CA 1.190 55.901 54.840 -0.215 0.000 0.752 246 L CB -1.328 40.712 42.059 -0.032 0.000 0.896 246 L HN 0.307 nan 8.230 nan 0.000 0.433 247 A N -0.286 122.473 122.820 -0.102 0.000 1.933 247 A HA -0.257 4.063 4.320 0.000 0.000 0.218 247 A C 2.328 179.829 177.584 -0.138 0.000 1.175 247 A CA 1.912 53.894 52.037 -0.092 0.000 0.628 247 A CB -0.463 18.511 19.000 -0.042 0.000 0.814 247 A HN 0.509 nan 8.150 nan 0.000 0.444 248 E N -0.200 119.900 120.200 -0.167 0.000 2.072 248 E HA -0.105 4.245 4.350 0.000 0.000 0.190 248 E C 1.809 178.231 176.600 -0.296 0.000 0.982 248 E CA 1.302 57.587 56.400 -0.191 0.000 0.803 248 E CB -0.078 29.538 29.700 -0.141 0.000 0.755 248 E HN 0.306 nan 8.360 nan 0.000 0.453 249 V N 0.808 120.467 119.914 -0.424 0.000 2.490 249 V HA -0.221 3.899 4.120 0.000 0.000 0.250 249 V C 2.454 178.298 176.094 -0.416 0.000 1.061 249 V CA 1.701 63.690 62.300 -0.518 0.000 1.064 249 V CB -0.417 31.070 31.823 -0.559 0.000 0.670 249 V HN 0.275 nan 8.190 nan 0.000 0.461 250 S N -0.239 115.290 115.700 -0.285 0.000 2.348 250 S HA -0.284 4.186 4.470 0.000 0.000 0.221 250 S C 2.157 176.632 174.600 -0.208 0.000 1.033 250 S CA 2.248 60.323 58.200 -0.208 0.000 1.010 250 S CB -0.259 62.856 63.200 -0.142 0.000 0.891 250 S HN 0.654 nan 8.310 nan 0.000 0.442 251 K N 0.294 120.577 120.400 -0.195 0.000 2.097 251 K HA 0.002 4.322 4.320 0.000 0.000 0.206 251 K C 2.045 178.524 176.600 -0.202 0.000 1.049 251 K CA 1.432 57.619 56.287 -0.167 0.000 0.933 251 K CB -0.287 32.133 32.500 -0.134 0.000 0.717 251 K HN 0.441 nan 8.250 nan 0.000 0.442 252 I N 1.049 121.444 120.570 -0.291 0.000 2.493 252 I HA -0.200 3.970 4.170 0.000 0.000 0.254 252 I C 1.820 177.721 176.117 -0.359 0.000 1.160 252 I CA 1.663 62.751 61.300 -0.353 0.000 1.445 252 I CB -0.015 37.659 38.000 -0.542 0.000 1.086 252 I HN 0.432 nan 8.210 nan 0.000 0.433 253 T N -3.893 110.441 114.554 -0.367 0.000 3.003 253 T HA 0.299 4.649 4.350 0.000 0.000 0.261 253 T C 1.471 176.058 174.700 -0.189 0.000 1.003 253 T CA 0.373 62.297 62.100 -0.293 0.000 0.917 253 T CB 0.808 69.482 68.868 -0.324 0.000 1.084 253 T HN 0.379 nan 8.240 nan 0.000 0.522 254 G N 1.630 110.331 108.800 -0.166 0.000 2.168 254 G HA2 -0.227 3.733 3.960 0.000 0.000 0.257 254 G HA3 -0.227 3.733 3.960 0.000 0.000 0.257 254 G C -0.105 174.733 174.900 -0.103 0.000 0.997 254 G CA 0.434 45.464 45.100 -0.117 0.000 0.708 254 G HN 0.640 nan 8.290 nan 0.000 0.520 255 L N 1.638 122.790 121.223 -0.118 0.000 2.307 255 L HA 0.445 4.786 4.340 0.000 0.000 0.282 255 L C -1.395 175.429 176.870 -0.077 0.000 1.051 255 L CA -2.336 52.449 54.840 -0.091 0.000 0.804 255 L CB 1.460 43.464 42.059 -0.092 0.000 1.197 255 L HN -0.070 nan 8.230 nan 0.000 0.431 256 P HA -0.069 nan 4.420 nan 0.000 0.267 256 P C -0.510 176.768 177.300 -0.038 0.000 1.200 256 P CA -0.044 63.031 63.100 -0.042 0.000 0.772 256 P CB 1.096 32.779 31.700 -0.028 0.000 0.855 257 V N 4.803 124.698 119.914 -0.032 0.000 2.387 257 V HA 0.118 4.238 4.120 0.000 0.000 0.260 257 V C -0.377 175.721 176.094 0.008 0.000 1.054 257 V CA -0.195 62.095 62.300 -0.018 0.000 0.967 257 V CB 0.082 31.894 31.823 -0.018 0.000 1.036 257 V HN 0.192 nan 8.190 nan 0.000 0.481 258 V N 6.875 126.800 119.914 0.018 0.000 2.370 258 V HA 0.616 4.736 4.120 0.000 0.000 0.283 258 V C 0.354 176.488 176.094 0.067 0.000 1.023 258 V CA 0.089 62.408 62.300 0.032 0.000 0.857 258 V CB 1.969 33.805 31.823 0.021 0.000 0.985 258 V HN 1.016 nan 8.190 nan 0.000 0.443 259 T N 0.348 114.952 114.554 0.084 0.000 2.907 259 T HA 0.524 4.874 4.350 0.000 0.000 0.292 259 T C -1.066 173.687 174.700 0.089 0.000 1.043 259 T CA -0.752 61.439 62.100 0.152 0.000 1.003 259 T CB 2.064 71.085 68.868 0.254 0.000 1.084 259 T HN 0.502 nan 8.240 nan 0.000 0.483 260 D N 1.193 121.662 120.400 0.116 0.000 2.392 260 D HA 0.260 4.900 4.640 0.000 0.000 0.228 260 D C 0.340 176.590 176.300 -0.082 0.000 1.074 260 D CA -0.464 53.554 54.000 0.030 0.000 0.838 260 D CB 1.185 42.019 40.800 0.057 0.000 1.067 260 D HN 0.704 nan 8.370 nan 0.000 0.511 261 E N 1.367 121.451 120.200 -0.195 0.000 2.558 261 E HA 0.008 4.358 4.350 0.000 0.000 0.205 261 E C 1.127 177.592 176.600 -0.225 0.000 1.006 261 E CA 0.006 56.176 56.400 -0.384 0.000 0.961 261 E CB 0.397 29.850 29.700 -0.412 0.000 1.044 261 E HN 0.371 nan 8.360 nan 0.000 0.465 262 S N -0.252 115.371 115.700 -0.127 0.000 2.607 262 S HA -0.016 4.454 4.470 0.000 0.000 0.224 262 S C 1.489 176.049 174.600 -0.066 0.000 0.969 262 S CA 0.544 58.695 58.200 -0.081 0.000 0.927 262 S CB 0.163 63.334 63.200 -0.050 0.000 0.772 262 S HN 0.039 nan 8.310 nan 0.000 0.533 263 T N 0.789 115.295 114.554 -0.080 0.000 3.144 263 T HA 0.370 4.720 4.350 0.000 0.000 0.290 263 T C -0.121 174.534 174.700 -0.076 0.000 0.966 263 T CA -0.444 61.623 62.100 -0.054 0.000 0.907 263 T CB -0.040 68.816 68.868 -0.019 0.000 1.152 263 T HN 0.347 nan 8.240 nan 0.000 0.532 264 L N 2.812 123.957 121.223 -0.130 0.000 2.401 264 L HA 0.403 4.743 4.340 0.000 0.000 0.283 264 L C 0.930 177.743 176.870 -0.095 0.000 1.151 264 L CA 0.106 54.859 54.840 -0.145 0.000 0.942 264 L CB 0.143 41.999 42.059 -0.338 0.000 1.283 264 L HN 0.134 nan 8.230 nan 0.000 0.442 265 R N 1.142 121.561 120.500 -0.136 0.000 2.312 265 R HA -0.022 4.318 4.340 0.000 0.000 0.205 265 R C 1.752 177.994 176.300 -0.097 0.000 0.904 265 R CA -0.042 55.986 56.100 -0.121 0.000 1.052 265 R CB 0.316 30.328 30.300 -0.479 0.000 1.014 265 R HN 0.667 nan 8.270 nan 0.000 0.503 266 Q N 1.702 121.391 119.800 -0.184 0.000 2.050 266 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 266 Q C -1.040 174.882 176.000 -0.130 0.000 0.980 266 Q CA 1.601 57.252 55.803 -0.254 0.000 0.840 266 Q CB -0.683 27.964 28.738 -0.152 0.000 0.898 266 Q HN 0.138 nan 8.270 nan 0.000 0.424 267 P HA -0.216 nan 4.420 nan 0.000 0.214 267 P C 1.187 178.562 177.300 0.126 0.000 1.163 267 P CA 1.514 64.650 63.100 0.061 0.000 0.889 267 P CB -0.824 30.927 31.700 0.086 0.000 0.790 268 W N -0.851 120.462 121.300 0.022 0.000 2.355 268 W HA -0.175 4.485 4.660 0.000 0.000 0.309 268 W C 1.987 178.515 176.519 0.014 0.000 1.206 268 W CA 0.849 58.217 57.345 0.037 0.000 1.284 268 W CB -0.919 28.593 29.460 0.088 0.000 1.145 268 W HN 0.009 nan 8.180 nan 0.000 0.502 269 W N 1.170 122.230 121.300 -0.399 0.000 2.301 269 W HA -0.324 4.336 4.660 0.000 0.000 0.325 269 W C 2.899 179.061 176.519 -0.594 0.000 1.250 269 W CA 2.517 59.480 57.345 -0.638 0.000 1.261 269 W CB -1.043 27.867 29.460 -0.916 0.000 1.157 269 W HN 0.025 nan 8.180 nan 0.000 0.473 270 S N -0.181 115.308 115.700 -0.352 0.000 2.406 270 S HA -0.009 4.461 4.470 0.000 0.000 0.228 270 S C 1.877 176.423 174.600 -0.090 0.000 1.020 270 S CA 1.003 59.182 58.200 -0.035 0.000 0.965 270 S CB -0.711 62.567 63.200 0.130 0.000 0.798 270 S HN 0.154 nan 8.310 nan 0.000 0.488 271 A N 2.334 125.056 122.820 -0.163 0.000 1.972 271 A HA 0.122 4.442 4.320 0.000 0.000 0.219 271 A C 1.658 179.029 177.584 -0.354 0.000 1.169 271 A CA 1.029 52.968 52.037 -0.164 0.000 0.635 271 A CB -1.197 17.791 19.000 -0.021 0.000 0.810 271 A HN 0.802 nan 8.150 nan 0.000 0.446 272 S N -0.851 114.424 115.700 -0.709 0.000 2.566 272 S HA 0.180 4.650 4.470 0.000 0.000 0.280 272 S C 1.074 175.456 174.600 -0.364 0.000 1.343 272 S CA -0.021 57.678 58.200 -0.835 0.000 1.036 272 S CB 1.018 63.532 63.200 -1.144 0.000 0.866 272 S HN 0.334 nan 8.310 nan 0.000 0.526 273 V N 2.120 121.875 119.914 -0.266 0.000 2.453 273 V HA -0.214 3.906 4.120 0.000 0.000 0.252 273 V C 1.878 177.943 176.094 -0.049 0.000 1.068 273 V CA 2.520 64.754 62.300 -0.110 0.000 1.070 273 V CB -1.288 30.492 31.823 -0.072 0.000 0.664 273 V HN 0.943 nan 8.190 nan 0.000 0.461 274 D N -0.543 119.806 120.400 -0.086 0.000 2.221 274 D HA -0.131 4.509 4.640 0.000 0.000 0.204 274 D C 2.050 178.467 176.300 0.195 0.000 0.982 274 D CA 1.494 55.498 54.000 0.008 0.000 0.857 274 D CB -0.129 40.649 40.800 -0.038 0.000 0.934 274 D HN 0.404 nan 8.370 nan 0.000 0.475 275 S N -0.961 114.825 115.700 0.144 0.000 2.540 275 S HA -0.021 4.449 4.470 0.000 0.000 0.218 275 S C 1.954 176.636 174.600 0.138 0.000 0.977 275 S CA 0.447 58.769 58.200 0.203 0.000 0.918 275 S CB 0.095 63.385 63.200 0.150 0.000 0.806 275 S HN 0.474 nan 8.310 nan 0.000 0.496 276 T N 0.564 115.205 114.554 0.145 0.000 2.803 276 T HA -0.244 4.106 4.350 0.000 0.000 0.269 276 T C 1.726 176.508 174.700 0.137 0.000 1.052 276 T CA 1.332 63.494 62.100 0.103 0.000 1.136 276 T CB -0.928 67.988 68.868 0.081 0.000 0.864 276 T HN 0.696 nan 8.240 nan 0.000 0.467 277 Y N 1.187 121.516 120.300 0.048 0.000 2.616 277 Y HA 0.370 4.920 4.550 0.000 0.000 0.296 277 Y C 1.709 177.672 175.900 0.105 0.000 1.154 277 Y CA -0.130 58.010 58.100 0.066 0.000 1.325 277 Y CB -0.655 37.842 38.460 0.061 0.000 1.007 277 Y HN 0.165 nan 8.280 nan 0.000 0.542 278 L N 0.484 121.440 121.223 -0.445 0.000 2.418 278 L HA 0.034 4.374 4.340 0.000 0.000 0.218 278 L C 0.621 177.483 176.870 -0.014 0.000 1.125 278 L CA 0.178 54.837 54.840 -0.302 0.000 0.835 278 L CB -0.607 41.271 42.059 -0.301 0.000 0.953 278 L HN 0.139 nan 8.230 nan 0.000 0.454 279 T N 0.442 114.992 114.554 -0.007 0.000 2.853 279 T HA 0.355 4.705 4.350 0.000 0.000 0.298 279 T C 1.187 175.937 174.700 0.083 0.000 0.978 279 T CA 0.570 62.696 62.100 0.045 0.000 1.152 279 T CB 1.175 70.065 68.868 0.037 0.000 0.914 279 T HN 0.512 nan 8.240 nan 0.000 0.539 280 G N 2.601 111.473 108.800 0.120 0.000 2.279 280 G HA2 -0.217 3.743 3.960 0.000 0.000 0.223 280 G HA3 -0.217 3.743 3.960 0.000 0.000 0.223 280 G C 0.170 175.136 174.900 0.110 0.000 1.015 280 G CA -0.679 44.483 45.100 0.103 0.000 0.621 280 G HN 0.623 nan 8.290 nan 0.000 0.506 281 K N 1.949 122.442 120.400 0.155 0.000 2.453 281 K HA 0.132 4.452 4.320 0.000 0.000 0.280 281 K C 0.648 177.209 176.600 -0.066 0.000 1.045 281 K CA 0.129 56.431 56.287 0.025 0.000 1.059 281 K CB 0.363 32.827 32.500 -0.061 0.000 0.901 281 K HN 0.488 nan 8.250 nan 0.000 0.475 282 R N 1.641 122.097 120.500 -0.073 0.000 2.351 282 R HA 0.134 4.474 4.340 0.000 0.000 0.318 282 R C 0.051 176.264 176.300 -0.146 0.000 1.055 282 R CA -0.259 55.803 56.100 -0.065 0.000 0.968 282 R CB 0.562 30.846 30.300 -0.026 0.000 0.974 282 R HN 0.242 nan 8.270 nan 0.000 0.439 283 V N 5.492 125.313 119.914 -0.154 0.000 2.555 283 V HA 0.425 4.545 4.120 0.000 0.000 0.302 283 V C -1.215 174.839 176.094 -0.068 0.000 1.038 283 V CA -0.852 61.325 62.300 -0.204 0.000 0.887 283 V CB 1.528 33.123 31.823 -0.380 0.000 0.991 283 V HN 0.654 nan 8.190 nan 0.000 0.434 284 F N 7.216 127.060 119.950 -0.177 0.000 2.411 284 F HA 0.671 5.198 4.527 0.000 0.000 0.352 284 F C -0.306 175.424 175.800 -0.116 0.000 1.123 284 F CA -0.579 57.349 58.000 -0.119 0.000 1.044 284 F CB 1.046 39.988 39.000 -0.097 0.000 1.135 284 F HN 0.368 nan 8.300 nan 0.000 0.461 285 I N 7.459 127.896 120.570 -0.222 0.000 2.378 285 I HA 0.389 4.559 4.170 0.000 0.000 0.291 285 I C -1.142 174.975 176.117 0.000 0.000 0.992 285 I CA -0.682 60.560 61.300 -0.097 0.000 1.154 285 I CB 1.620 39.510 38.000 -0.184 0.000 1.315 285 I HN 0.547 nan 8.210 nan 0.000 0.448 286 F N 4.419 124.379 119.950 0.016 0.000 2.613 286 F HA 0.858 5.385 4.527 0.000 0.000 0.310 286 F C 0.151 175.991 175.800 0.066 0.000 1.085 286 F CA 0.085 58.120 58.000 0.059 0.000 0.945 286 F CB 2.233 41.373 39.000 0.233 0.000 1.298 286 F HN 0.584 nan 8.300 nan 0.000 0.455 287 G N 2.885 111.266 108.800 -0.699 0.000 2.441 287 G HA2 0.232 4.192 3.960 0.000 0.000 0.222 287 G HA3 0.232 4.192 3.960 0.000 0.000 0.222 287 G C -1.971 172.535 174.900 -0.657 0.000 1.254 287 G CA -0.272 44.660 45.100 -0.281 0.000 0.959 287 G HN 0.837 nan 8.290 nan 0.000 0.474 288 D N 0.123 120.236 120.400 -0.479 0.000 2.423 288 D HA 0.515 5.155 4.640 0.000 0.000 0.255 288 D C 1.701 177.794 176.300 -0.345 0.000 1.174 288 D CA 0.668 54.261 54.000 -0.679 0.000 1.008 288 D CB 0.446 41.019 40.800 -0.379 0.000 1.101 288 D HN 0.925 nan 8.370 nan 0.000 0.516 289 G N -0.380 108.251 108.800 -0.283 0.000 2.631 289 G HA2 -0.360 3.600 3.960 0.000 0.000 0.219 289 G HA3 -0.360 3.600 3.960 0.000 0.000 0.219 289 G C 1.410 176.274 174.900 -0.060 0.000 1.214 289 G CA 1.904 46.913 45.100 -0.152 0.000 0.785 289 G HN 0.578 nan 8.290 nan 0.000 0.596 290 T N 0.468 115.028 114.554 0.010 0.000 2.607 290 T HA -0.159 4.191 4.350 0.000 0.000 0.267 290 T C 2.134 176.829 174.700 -0.009 0.000 1.049 290 T CA 1.945 64.052 62.100 0.012 0.000 1.162 290 T CB -0.446 68.449 68.868 0.046 0.000 0.863 290 T HN 0.503 nan 8.240 nan 0.000 0.424 291 H N -0.142 118.958 119.070 0.050 0.000 2.491 291 H HA 0.082 4.638 4.556 0.000 0.000 0.290 291 H C 2.128 177.483 175.328 0.045 0.000 1.050 291 H CA 0.718 56.819 56.048 0.088 0.000 1.309 291 H CB -0.343 29.491 29.762 0.120 0.000 1.392 291 H HN 0.149 nan 8.280 nan 0.000 0.554 292 V N 0.200 120.147 119.914 0.056 0.000 2.273 292 V HA -0.163 3.957 4.120 0.000 0.000 0.242 292 V C 2.293 178.369 176.094 -0.030 0.000 1.035 292 V CA 1.435 63.717 62.300 -0.030 0.000 1.013 292 V CB -0.469 31.265 31.823 -0.147 0.000 0.652 292 V HN 0.331 nan 8.190 nan 0.000 0.452 293 I N 0.849 121.397 120.570 -0.035 0.000 2.143 293 I HA -0.374 3.796 4.170 0.000 0.000 0.245 293 I C 2.652 178.798 176.117 0.047 0.000 1.068 293 I CA 1.995 63.291 61.300 -0.007 0.000 1.326 293 I CB -0.587 37.417 38.000 0.007 0.000 1.028 293 I HN 0.334 nan 8.210 nan 0.000 0.412 294 A N 0.381 123.234 122.820 0.056 0.000 1.873 294 A HA -0.136 4.184 4.320 0.000 0.000 0.215 294 A C 2.544 180.235 177.584 0.178 0.000 1.186 294 A CA 1.853 53.941 52.037 0.086 0.000 0.616 294 A CB -0.947 18.074 19.000 0.035 0.000 0.823 294 A HN 0.451 nan 8.150 nan 0.000 0.442 295 A N -0.054 122.906 122.820 0.233 0.000 1.883 295 A HA 0.119 4.439 4.320 0.000 0.000 0.217 295 A C 2.512 180.282 177.584 0.309 0.000 1.186 295 A CA 2.243 54.529 52.037 0.416 0.000 0.624 295 A CB -1.094 18.079 19.000 0.290 0.000 0.822 295 A HN 1.132 nan 8.150 nan 0.000 0.444 296 A N -0.559 122.328 122.820 0.113 0.000 1.978 296 A HA -0.186 4.134 4.320 0.000 0.000 0.220 296 A C 2.248 179.985 177.584 0.255 0.000 1.170 296 A CA 1.791 53.837 52.037 0.014 0.000 0.636 296 A CB -0.483 18.324 19.000 -0.322 0.000 0.810 296 A HN 0.577 nan 8.150 nan 0.000 0.448 297 R N -0.347 120.326 120.500 0.288 0.000 2.062 297 R HA -0.060 4.280 4.340 0.000 0.000 0.231 297 R C 1.989 178.441 176.300 0.253 0.000 1.136 297 R CA 1.697 57.973 56.100 0.293 0.000 0.948 297 R CB -0.414 30.009 30.300 0.205 0.000 0.845 297 R HN 0.520 nan 8.270 nan 0.000 0.430 298 I N 1.116 121.844 120.570 0.264 0.000 2.151 298 I HA -0.306 3.865 4.170 0.000 0.000 0.243 298 I C 2.634 178.955 176.117 0.339 0.000 1.080 298 I CA 1.499 62.956 61.300 0.262 0.000 1.339 298 I CB -0.468 37.666 38.000 0.223 0.000 1.039 298 I HN 0.305 nan 8.210 nan 0.000 0.409 299 A N 0.784 123.890 122.820 0.477 0.000 1.841 299 A HA -0.208 4.112 4.320 0.000 0.000 0.216 299 A C 2.538 180.293 177.584 0.286 0.000 1.199 299 A CA 2.354 54.666 52.037 0.458 0.000 0.621 299 A CB -1.191 18.069 19.000 0.433 0.000 0.835 299 A HN 0.429 nan 8.150 nan 0.000 0.445 300 A N -0.612 122.387 122.820 0.299 0.000 1.832 300 A HA -0.126 4.194 4.320 0.000 0.000 0.214 300 A C 2.142 179.812 177.584 0.143 0.000 1.200 300 A CA 1.773 53.954 52.037 0.241 0.000 0.610 300 A CB -0.470 18.721 19.000 0.319 0.000 0.842 300 A HN 0.489 nan 8.150 nan 0.000 0.444 301 K N -0.785 119.698 120.400 0.138 0.000 2.228 301 K HA -0.028 4.292 4.320 0.000 0.000 0.202 301 K C 1.570 178.215 176.600 0.075 0.000 1.051 301 K CA 1.335 57.674 56.287 0.086 0.000 0.960 301 K CB 0.040 32.586 32.500 0.075 0.000 0.743 301 K HN 0.618 nan 8.250 nan 0.000 0.458 302 E N -0.490 119.764 120.200 0.090 0.000 2.364 302 E HA 0.010 4.360 4.350 0.000 0.000 0.203 302 E C 1.482 178.114 176.600 0.052 0.000 0.888 302 E CA 0.139 56.584 56.400 0.075 0.000 0.989 302 E CB 0.881 30.635 29.700 0.090 0.000 0.985 302 E HN -0.065 nan 8.360 nan 0.000 0.499 303 V N -0.814 119.099 119.914 -0.001 0.000 3.455 303 V HA 0.244 4.364 4.120 0.000 0.000 0.250 303 V C 1.285 177.225 176.094 -0.257 0.000 1.230 303 V CA 0.819 63.028 62.300 -0.152 0.000 1.105 303 V CB 1.010 32.601 31.823 -0.386 0.000 0.850 303 V HN 0.419 nan 8.190 nan 0.000 0.461 304 G N 0.234 108.945 108.800 -0.148 0.000 2.134 304 G HA2 -0.214 3.746 3.960 0.000 0.000 0.209 304 G HA3 -0.214 3.746 3.960 0.000 0.000 0.209 304 G C -0.105 174.819 174.900 0.040 0.000 0.993 304 G CA -0.318 44.753 45.100 -0.049 0.000 0.669 304 G HN 0.225 nan 8.290 nan 0.000 0.519 305 F N 1.015 121.011 119.950 0.077 0.000 2.440 305 F HA 0.541 5.068 4.527 0.000 0.000 0.323 305 F C 0.987 176.824 175.800 0.061 0.000 1.192 305 F CA -0.893 57.136 58.000 0.050 0.000 1.252 305 F CB 0.715 39.743 39.000 0.047 0.000 1.214 305 F HN 0.198 nan 8.300 nan 0.000 0.578 306 E N 0.887 121.246 120.200 0.265 0.000 2.158 306 E HA 0.466 4.816 4.350 0.000 0.000 0.271 306 E C -1.754 174.907 176.600 0.102 0.000 0.911 306 E CA -0.565 55.932 56.400 0.162 0.000 0.767 306 E CB 1.542 31.308 29.700 0.110 0.000 1.120 306 E HN 0.342 nan 8.360 nan 0.000 0.405 307 V N 5.553 125.530 119.914 0.105 0.000 2.385 307 V HA 0.083 4.203 4.120 0.000 0.000 0.269 307 V C 0.912 176.992 176.094 -0.024 0.000 1.043 307 V CA -0.286 62.015 62.300 0.002 0.000 0.906 307 V CB 1.001 32.782 31.823 -0.070 0.000 0.995 307 V HN 0.673 nan 8.190 nan 0.000 0.467 308 V N 1.631 121.512 119.914 -0.055 0.000 3.319 308 V HA 0.811 4.931 4.120 0.000 0.000 0.317 308 V C 0.544 176.585 176.094 -0.089 0.000 1.411 308 V CA 0.364 62.647 62.300 -0.028 0.000 1.112 308 V CB 0.137 31.976 31.823 0.026 0.000 1.031 308 V HN 0.982 nan 8.190 nan 0.000 0.448 309 G N 0.482 109.110 108.800 -0.288 0.000 2.433 309 G HA2 0.555 4.515 3.960 0.000 0.000 0.306 309 G HA3 0.555 4.515 3.960 0.000 0.000 0.306 309 G C -1.554 172.883 174.900 -0.771 0.000 1.627 309 G CA -0.777 43.976 45.100 -0.579 0.000 0.893 309 G HN 0.154 nan 8.290 nan 0.000 0.648 310 M N 1.119 120.399 119.600 -0.533 0.000 2.326 310 M HA 0.709 5.189 4.480 0.000 0.000 0.292 310 M C 0.155 176.322 176.300 -0.221 0.000 1.081 310 M CA -0.462 54.600 55.300 -0.396 0.000 0.919 310 M CB 2.728 35.138 32.600 -0.318 0.000 1.634 310 M HN 0.927 nan 8.290 nan 0.000 0.451 311 G N 1.167 109.920 108.800 -0.079 0.000 2.695 311 G HA2 0.821 4.781 3.960 0.000 0.000 0.290 311 G HA3 0.821 4.781 3.960 0.000 0.000 0.290 311 G C -1.748 172.950 174.900 -0.336 0.000 1.410 311 G CA -0.721 44.438 45.100 0.097 0.000 0.844 311 G HN 1.078 nan 8.290 nan 0.000 0.478 312 C N -0.983 118.069 119.300 -0.413 0.000 3.239 312 C HA 0.704 5.164 4.460 0.000 0.000 0.317 312 C C 0.670 175.348 174.990 -0.519 0.000 1.310 312 C CA -0.980 57.526 59.018 -0.853 0.000 1.371 312 C CB 0.386 27.768 27.740 -0.596 0.000 1.714 312 C HN 1.130 nan 8.230 nan 0.000 0.473 313 Y N 0.979 120.988 120.300 -0.486 0.000 2.500 313 Y HA 0.283 4.833 4.550 0.000 0.000 0.270 313 Y C 0.741 176.600 175.900 -0.068 0.000 1.134 313 Y CA 0.086 58.077 58.100 -0.183 0.000 1.293 313 Y CB -0.515 37.763 38.460 -0.303 0.000 1.063 313 Y HN 0.702 nan 8.280 nan 0.000 0.534 314 N N 2.340 120.834 118.700 -0.344 0.000 2.439 314 N HA 0.097 4.837 4.740 0.000 0.000 0.249 314 N C 0.767 176.232 175.510 -0.075 0.000 1.003 314 N CA -0.454 52.522 53.050 -0.124 0.000 0.942 314 N CB 1.420 39.813 38.487 -0.157 0.000 1.115 314 N HN 0.452 nan 8.380 nan 0.000 0.505 315 R N 2.493 122.990 120.500 -0.003 0.000 2.127 315 R HA -0.168 4.172 4.340 0.000 0.000 0.238 315 R C 0.443 176.740 176.300 -0.004 0.000 1.134 315 R CA 1.646 57.746 56.100 0.001 0.000 0.975 315 R CB -0.030 30.282 30.300 0.021 0.000 0.865 315 R HN 0.556 nan 8.270 nan 0.000 0.447 316 E N -0.225 119.977 120.200 0.005 0.000 2.401 316 E HA -0.111 4.239 4.350 0.000 0.000 0.199 316 E C 0.892 177.498 176.600 0.011 0.000 1.023 316 E CA 0.825 57.236 56.400 0.018 0.000 0.859 316 E CB 0.108 29.837 29.700 0.048 0.000 0.780 316 E HN 0.333 nan 8.360 nan 0.000 0.523 317 M N -0.629 118.959 119.600 -0.019 0.000 2.484 317 M HA 0.348 4.828 4.480 0.000 0.000 0.307 317 M C 1.299 177.577 176.300 -0.038 0.000 1.149 317 M CA -0.048 55.234 55.300 -0.029 0.000 0.972 317 M CB 0.399 32.960 32.600 -0.065 0.000 1.400 317 M HN 0.170 nan 8.290 nan 0.000 0.508 318 A N 0.921 123.725 122.820 -0.025 0.000 1.858 318 A HA -0.132 4.188 4.320 0.000 0.000 0.216 318 A C 2.289 179.868 177.584 -0.009 0.000 1.190 318 A CA 1.539 53.564 52.037 -0.021 0.000 0.617 318 A CB -0.361 18.635 19.000 -0.007 0.000 0.827 318 A HN 0.410 nan 8.150 nan 0.000 0.443 319 R N -0.468 120.033 120.500 0.003 0.000 2.096 319 R HA -0.067 4.273 4.340 0.000 0.000 0.235 319 R C -0.778 175.529 176.300 0.012 0.000 1.127 319 R CA 1.641 57.747 56.100 0.010 0.000 0.968 319 R CB -1.044 29.266 30.300 0.017 0.000 0.861 319 R HN 0.408 nan 8.270 nan 0.000 0.440 320 P HA -0.176 nan 4.420 nan 0.000 0.215 320 P C 1.041 178.345 177.300 0.006 0.000 1.153 320 P CA 0.957 64.067 63.100 0.016 0.000 0.853 320 P CB 0.046 31.757 31.700 0.017 0.000 0.788 321 L N -0.684 120.529 121.223 -0.016 0.000 2.156 321 L HA -0.029 4.312 4.340 0.000 0.000 0.208 321 L C 2.304 179.160 176.870 -0.022 0.000 1.095 321 L CA 1.682 56.501 54.840 -0.036 0.000 0.770 321 L CB -0.737 41.278 42.059 -0.074 0.000 0.914 321 L HN -0.200 nan 8.230 nan 0.000 0.439 322 R N -1.553 118.942 120.500 -0.009 0.000 2.115 322 R HA -0.068 4.272 4.340 0.000 0.000 0.226 322 R C 1.990 178.302 176.300 0.020 0.000 1.100 322 R CA 1.542 57.643 56.100 0.003 0.000 0.980 322 R CB -0.504 29.799 30.300 0.006 0.000 0.875 322 R HN 0.383 nan 8.270 nan 0.000 0.445 323 T N 1.067 115.636 114.554 0.025 0.000 2.674 323 T HA -0.149 4.201 4.350 0.000 0.000 0.265 323 T C 1.966 176.703 174.700 0.063 0.000 1.039 323 T CA 1.565 63.687 62.100 0.038 0.000 1.150 323 T CB -0.251 68.638 68.868 0.035 0.000 0.864 323 T HN 0.347 nan 8.240 nan 0.000 0.427 324 A N 1.463 124.325 122.820 0.069 0.000 1.902 324 A HA 0.164 4.484 4.320 0.000 0.000 0.217 324 A C 2.653 180.355 177.584 0.197 0.000 1.181 324 A CA 1.862 53.979 52.037 0.133 0.000 0.623 324 A CB -1.147 17.912 19.000 0.100 0.000 0.818 324 A HN 0.509 nan 8.150 nan 0.000 0.443 325 A N -0.076 122.789 122.820 0.075 0.000 1.933 325 A HA 0.138 4.458 4.320 0.000 0.000 0.218 325 A C 2.493 180.165 177.584 0.147 0.000 1.175 325 A CA 2.075 54.141 52.037 0.048 0.000 0.628 325 A CB -1.038 17.941 19.000 -0.035 0.000 0.814 325 A HN 1.124 nan 8.150 nan 0.000 0.444 326 A N 0.168 123.052 122.820 0.107 0.000 1.917 326 A HA -0.255 4.065 4.320 0.000 0.000 0.219 326 A C 1.838 179.487 177.584 0.109 0.000 1.182 326 A CA 1.831 53.920 52.037 0.087 0.000 0.633 326 A CB -0.670 18.363 19.000 0.054 0.000 0.819 326 A HN 0.676 nan 8.150 nan 0.000 0.448 327 E N -1.625 118.659 120.200 0.140 0.000 2.209 327 E HA -0.203 4.147 4.350 0.000 0.000 0.196 327 E C 0.725 177.302 176.600 -0.039 0.000 0.993 327 E CA 1.372 57.789 56.400 0.027 0.000 0.819 327 E CB -0.243 29.433 29.700 -0.041 0.000 0.745 327 E HN 0.891 nan 8.360 nan 0.000 0.477 328 Y N -0.655 119.647 120.300 0.003 0.000 2.555 328 Y HA 0.337 4.887 4.550 0.000 0.000 0.259 328 Y C 1.312 177.212 175.900 -0.000 0.000 1.179 328 Y CA -0.099 58.003 58.100 0.004 0.000 1.230 328 Y CB 0.573 39.033 38.460 0.001 0.000 1.146 328 Y HN -0.003 nan 8.280 nan 0.000 0.526 329 G N 0.937 109.823 108.800 0.143 0.000 2.246 329 G HA2 -0.248 3.712 3.960 0.000 0.000 0.273 329 G HA3 -0.248 3.712 3.960 0.000 0.000 0.273 329 G C -0.714 174.224 174.900 0.063 0.000 1.055 329 G CA -0.038 45.109 45.100 0.080 0.000 0.851 329 G HN 0.129 nan 8.290 nan 0.000 0.500 330 L N -0.344 120.915 121.223 0.060 0.000 2.341 330 L HA 0.596 4.936 4.340 0.000 0.000 0.267 330 L C 0.235 177.108 176.870 0.004 0.000 1.009 330 L CA -1.555 53.293 54.840 0.014 0.000 0.819 330 L CB 1.586 43.626 42.059 -0.032 0.000 1.323 330 L HN 0.098 nan 8.230 nan 0.000 0.425 331 E N 1.550 121.748 120.200 -0.004 0.000 2.257 331 E HA 0.373 4.723 4.350 0.000 0.000 0.278 331 E C -0.296 176.291 176.600 -0.023 0.000 1.049 331 E CA -0.222 56.176 56.400 -0.004 0.000 0.876 331 E CB 1.345 31.047 29.700 0.004 0.000 1.035 331 E HN 0.630 nan 8.360 nan 0.000 0.419 332 A N 3.462 126.270 122.820 -0.021 0.000 2.425 332 A HA 0.171 4.491 4.320 0.000 0.000 0.242 332 A C -0.046 177.535 177.584 -0.004 0.000 1.077 332 A CA -0.333 51.682 52.037 -0.035 0.000 0.781 332 A CB 0.234 19.214 19.000 -0.034 0.000 1.020 332 A HN 0.468 nan 8.150 nan 0.000 0.494 333 L N 4.040 125.274 121.223 0.018 0.000 2.371 333 L HA 0.372 4.712 4.340 0.000 0.000 0.262 333 L C -0.827 176.122 176.870 0.133 0.000 1.054 333 L CA -0.356 54.532 54.840 0.080 0.000 0.924 333 L CB 0.343 42.471 42.059 0.115 0.000 1.295 333 L HN 0.500 nan 8.230 nan 0.000 0.441 334 I N 3.443 124.062 120.570 0.082 0.000 2.329 334 I HA 0.323 4.493 4.170 0.000 0.000 0.295 334 I C 0.575 176.763 176.117 0.118 0.000 1.109 334 I CA 0.322 61.670 61.300 0.081 0.000 1.297 334 I CB -0.264 37.757 38.000 0.035 0.000 1.433 334 I HN 0.565 nan 8.210 nan 0.000 0.509 335 T N 4.213 118.882 114.554 0.192 0.000 2.853 335 T HA 0.390 4.740 4.350 0.000 0.000 0.311 335 T C -0.407 174.449 174.700 0.261 0.000 1.307 335 T CA -0.542 61.670 62.100 0.188 0.000 1.019 335 T CB 1.672 70.625 68.868 0.142 0.000 1.264 335 T HN 0.664 nan 8.240 nan 0.000 0.497 336 D N 0.840 121.390 120.400 0.249 0.000 2.571 336 D HA 0.227 4.868 4.640 0.000 0.000 0.239 336 D C -0.349 176.216 176.300 0.443 0.000 1.267 336 D CA -0.253 53.960 54.000 0.356 0.000 0.823 336 D CB 0.340 41.322 40.800 0.303 0.000 1.056 336 D HN 0.330 nan 8.370 nan 0.000 0.494 337 D N 0.709 121.302 120.400 0.322 0.000 2.441 337 D HA 0.052 4.692 4.640 0.000 0.000 0.231 337 D C 1.079 177.510 176.300 0.218 0.000 1.073 337 D CA -0.939 53.218 54.000 0.262 0.000 0.850 337 D CB 0.361 41.218 40.800 0.095 0.000 1.062 337 D HN 0.185 nan 8.370 nan 0.000 0.524 338 Y N 2.903 123.370 120.300 0.279 0.000 2.315 338 Y HA -0.116 4.434 4.550 0.000 0.000 0.288 338 Y C 1.343 177.227 175.900 -0.026 0.000 1.154 338 Y CA 0.898 59.081 58.100 0.137 0.000 1.229 338 Y CB -0.445 38.013 38.460 -0.003 0.000 0.980 338 Y HN 0.340 nan 8.280 nan 0.000 0.540 339 L N 0.421 121.180 121.223 -0.773 0.000 2.201 339 L HA -0.115 4.225 4.340 0.000 0.000 0.212 339 L C 2.467 179.170 176.870 -0.277 0.000 1.105 339 L CA 1.394 55.881 54.840 -0.588 0.000 0.775 339 L CB -0.472 41.244 42.059 -0.571 0.000 0.913 339 L HN 0.344 nan 8.230 nan 0.000 0.440 340 E N -0.321 119.769 120.200 -0.184 0.000 2.107 340 E HA -0.137 4.213 4.350 0.000 0.000 0.191 340 E C 2.261 178.785 176.600 -0.126 0.000 0.982 340 E CA 0.906 57.240 56.400 -0.110 0.000 0.809 340 E CB 0.172 29.845 29.700 -0.044 0.000 0.756 340 E HN 0.283 nan 8.360 nan 0.000 0.459 341 V N 1.343 121.144 119.914 -0.188 0.000 2.261 341 V HA -0.275 3.845 4.120 0.000 0.000 0.246 341 V C 2.373 178.289 176.094 -0.296 0.000 1.047 341 V CA 2.133 64.256 62.300 -0.295 0.000 1.015 341 V CB -0.572 30.959 31.823 -0.487 0.000 0.642 341 V HN 0.292 nan 8.190 nan 0.000 0.446 342 E N 0.344 120.397 120.200 -0.245 0.000 2.097 342 E HA -0.310 4.040 4.350 0.000 0.000 0.196 342 E C 2.353 178.826 176.600 -0.213 0.000 1.000 342 E CA 1.795 58.057 56.400 -0.229 0.000 0.804 342 E CB -0.160 29.431 29.700 -0.182 0.000 0.740 342 E HN 0.482 nan 8.360 nan 0.000 0.454 343 K N -0.375 119.920 120.400 -0.175 0.000 2.097 343 K HA -0.105 4.216 4.320 0.000 0.000 0.205 343 K C 1.953 178.488 176.600 -0.108 0.000 1.050 343 K CA 1.022 57.233 56.287 -0.127 0.000 0.938 343 K CB -0.070 32.369 32.500 -0.101 0.000 0.718 343 K HN 0.194 nan 8.250 nan 0.000 0.442 344 A N 1.029 123.787 122.820 -0.104 0.000 1.930 344 A HA -0.032 4.288 4.320 0.000 0.000 0.215 344 A C 2.038 179.585 177.584 -0.062 0.000 1.176 344 A CA 0.665 52.700 52.037 -0.004 0.000 0.632 344 A CB -0.302 18.782 19.000 0.141 0.000 0.819 344 A HN 0.226 nan 8.150 nan 0.000 0.445 345 I N -0.592 119.721 120.570 -0.429 0.000 2.076 345 I HA -0.300 3.870 4.170 0.000 0.000 0.237 345 I C 2.500 178.462 176.117 -0.258 0.000 1.059 345 I CA 1.927 62.853 61.300 -0.623 0.000 1.317 345 I CB -0.366 37.151 38.000 -0.805 0.000 1.037 345 I HN 0.394 nan 8.210 nan 0.000 0.398 346 E N 0.610 120.685 120.200 -0.209 0.000 2.095 346 E HA -0.347 4.003 4.350 0.000 0.000 0.212 346 E C 2.113 178.665 176.600 -0.080 0.000 1.044 346 E CA 2.292 58.615 56.400 -0.128 0.000 0.857 346 E CB -0.268 29.365 29.700 -0.111 0.000 0.764 346 E HN 0.530 nan 8.360 nan 0.000 0.462 347 A N 0.488 123.272 122.820 -0.059 0.000 1.851 347 A HA -0.063 4.257 4.320 0.000 0.000 0.216 347 A C 1.766 179.349 177.584 -0.002 0.000 1.195 347 A CA 1.778 53.802 52.037 -0.022 0.000 0.622 347 A CB -0.656 18.342 19.000 -0.002 0.000 0.831 347 A HN 0.331 nan 8.150 nan 0.000 0.444 348 A N -0.325 122.513 122.820 0.029 0.000 3.157 348 A HA 0.607 4.927 4.320 0.000 0.000 0.276 348 A C 0.601 178.209 177.584 0.039 0.000 1.524 348 A CA 0.207 52.278 52.037 0.056 0.000 1.236 348 A CB -1.181 17.891 19.000 0.120 0.000 1.173 348 A HN 1.271 nan 8.150 nan 0.000 0.595 349 A N 3.530 126.347 122.820 -0.006 0.000 2.569 349 A HA 0.416 4.736 4.320 0.000 0.000 0.288 349 A C -1.585 175.983 177.584 -0.027 0.000 1.326 349 A CA -0.551 51.465 52.037 -0.035 0.000 0.978 349 A CB -0.699 18.276 19.000 -0.041 0.000 1.054 349 A HN 0.589 nan 8.150 nan 0.000 0.558 350 P HA 0.168 nan 4.420 nan 0.000 0.274 350 P C 0.041 177.303 177.300 -0.065 0.000 1.260 350 P CA -0.080 63.003 63.100 -0.028 0.000 0.793 350 P CB 0.792 32.491 31.700 -0.001 0.000 1.048 351 E N -1.067 119.078 120.200 -0.092 0.000 2.473 351 E HA 0.203 4.553 4.350 0.000 0.000 0.204 351 E C -0.034 176.484 176.600 -0.136 0.000 0.994 351 E CA -0.034 56.308 56.400 -0.095 0.000 0.945 351 E CB 0.316 29.965 29.700 -0.086 0.000 0.990 351 E HN 0.133 nan 8.360 nan 0.000 0.493 352 L N 0.671 121.779 121.223 -0.193 0.000 2.472 352 L HA 0.495 4.835 4.340 0.000 0.000 0.260 352 L C -1.893 174.864 176.870 -0.188 0.000 0.963 352 L CA -0.729 53.973 54.840 -0.229 0.000 0.829 352 L CB 1.872 43.689 42.059 -0.404 0.000 1.348 352 L HN -0.135 nan 8.230 nan 0.000 0.408 353 I N 5.001 125.479 120.570 -0.154 0.000 2.433 353 I HA 0.449 4.619 4.170 0.000 0.000 0.292 353 I C -0.994 175.041 176.117 -0.137 0.000 1.001 353 I CA -0.544 60.698 61.300 -0.098 0.000 1.119 353 I CB 1.790 39.735 38.000 -0.091 0.000 1.289 353 I HN 0.442 nan 8.210 nan 0.000 0.438 354 L N 6.292 127.432 121.223 -0.138 0.000 2.298 354 L HA 0.798 5.138 4.340 0.000 0.000 0.284 354 L C 0.351 177.210 176.870 -0.019 0.000 1.013 354 L CA -0.176 54.548 54.840 -0.194 0.000 0.824 354 L CB 1.286 43.070 42.059 -0.458 0.000 1.221 354 L HN 0.795 nan 8.230 nan 0.000 0.418 355 G N 1.356 110.166 108.800 0.016 0.000 2.896 355 G HA2 0.597 4.558 3.960 0.000 0.000 0.247 355 G HA3 0.597 4.558 3.960 0.000 0.000 0.247 355 G C -0.660 174.279 174.900 0.065 0.000 1.187 355 G CA 0.148 45.317 45.100 0.115 0.000 0.837 355 G HN 0.446 nan 8.290 nan 0.000 0.559 356 T N -2.612 112.027 114.554 0.143 0.000 2.889 356 T HA 0.420 4.770 4.350 0.000 0.000 0.278 356 T C 1.213 175.915 174.700 0.004 0.000 0.995 356 T CA 0.082 62.231 62.100 0.082 0.000 0.966 356 T CB 1.540 70.565 68.868 0.263 0.000 1.237 356 T HN 0.335 nan 8.240 nan 0.000 0.591 357 Q N -0.305 119.473 119.800 -0.036 0.000 2.133 357 Q HA -0.165 4.175 4.340 0.000 0.000 0.208 357 Q C 2.110 177.934 176.000 -0.292 0.000 0.991 357 Q CA 2.434 58.154 55.803 -0.138 0.000 0.867 357 Q CB -0.895 27.727 28.738 -0.193 0.000 0.911 357 Q HN 0.774 nan 8.270 nan 0.000 0.417 358 M N 0.137 119.457 119.600 -0.466 0.000 2.065 358 M HA -0.165 4.315 4.480 0.000 0.000 0.259 358 M C 1.534 177.615 176.300 -0.365 0.000 1.069 358 M CA 1.977 56.819 55.300 -0.763 0.000 1.110 358 M CB -0.384 31.555 32.600 -1.102 0.000 1.328 358 M HN 0.124 nan 8.290 nan 0.000 0.405 359 E N -0.030 120.082 120.200 -0.147 0.000 2.130 359 E HA -0.241 4.110 4.350 0.000 0.000 0.196 359 E C 1.994 178.525 176.600 -0.115 0.000 0.998 359 E CA 1.928 58.276 56.400 -0.087 0.000 0.806 359 E CB -0.492 29.232 29.700 0.040 0.000 0.738 359 E HN 0.710 nan 8.360 nan 0.000 0.459 360 R N 0.302 120.739 120.500 -0.106 0.000 2.189 360 R HA 0.055 4.395 4.340 0.000 0.000 0.218 360 R C 1.489 177.726 176.300 -0.105 0.000 1.074 360 R CA 1.238 57.287 56.100 -0.084 0.000 0.991 360 R CB -0.078 30.197 30.300 -0.043 0.000 0.883 360 R HN 0.070 nan 8.270 nan 0.000 0.457 361 N N 0.929 119.532 118.700 -0.161 0.000 2.333 361 N HA 0.005 4.745 4.740 0.000 0.000 0.178 361 N C 1.812 177.227 175.510 -0.158 0.000 1.018 361 N CA 1.185 54.135 53.050 -0.167 0.000 0.882 361 N CB 0.083 38.428 38.487 -0.236 0.000 0.984 361 N HN 0.299 nan 8.380 nan 0.000 0.434 362 I N 1.375 121.840 120.570 -0.175 0.000 2.252 362 I HA -0.186 3.985 4.170 0.000 0.000 0.245 362 I C 2.508 178.546 176.117 -0.131 0.000 1.102 362 I CA 0.760 61.972 61.300 -0.147 0.000 1.385 362 I CB -0.403 37.499 38.000 -0.164 0.000 1.064 362 I HN 0.012 nan 8.210 nan 0.000 0.414 363 A N 0.894 123.637 122.820 -0.128 0.000 1.877 363 A HA -0.208 4.112 4.320 0.000 0.000 0.216 363 A C 2.327 179.860 177.584 -0.085 0.000 1.186 363 A CA 1.521 53.493 52.037 -0.109 0.000 0.620 363 A CB -0.396 18.545 19.000 -0.098 0.000 0.822 363 A HN 0.160 nan 8.150 nan 0.000 0.443 364 K N 0.243 120.596 120.400 -0.078 0.000 2.015 364 K HA -0.169 4.151 4.320 0.000 0.000 0.216 364 K C 1.900 178.463 176.600 -0.062 0.000 1.052 364 K CA 2.028 58.277 56.287 -0.063 0.000 0.937 364 K CB -0.571 31.893 32.500 -0.060 0.000 0.719 364 K HN 0.584 nan 8.250 nan 0.000 0.446 365 K N 0.303 120.661 120.400 -0.071 0.000 2.074 365 K HA -0.104 4.216 4.320 0.000 0.000 0.209 365 K C 2.173 178.737 176.600 -0.060 0.000 1.048 365 K CA 1.272 57.521 56.287 -0.064 0.000 0.926 365 K CB -0.159 32.300 32.500 -0.070 0.000 0.713 365 K HN 0.069 nan 8.250 nan 0.000 0.444 366 L N -0.729 120.452 121.223 -0.071 0.000 2.418 366 L HA 0.057 4.397 4.340 0.000 0.000 0.218 366 L C 1.053 177.893 176.870 -0.049 0.000 1.125 366 L CA 0.449 55.249 54.840 -0.068 0.000 0.835 366 L CB 0.002 42.007 42.059 -0.091 0.000 0.953 366 L HN 0.478 nan 8.230 nan 0.000 0.454 367 G N 0.780 109.553 108.800 -0.046 0.000 2.182 367 G HA2 -0.256 3.704 3.960 0.000 0.000 0.248 367 G HA3 -0.256 3.704 3.960 0.000 0.000 0.248 367 G C -0.016 174.870 174.900 -0.024 0.000 1.042 367 G CA -0.185 44.898 45.100 -0.029 0.000 0.775 367 G HN 0.200 nan 8.290 nan 0.000 0.501 368 L N 1.043 122.238 121.223 -0.047 0.000 2.309 368 L HA 0.495 4.835 4.340 0.000 0.000 0.282 368 L C -1.619 175.216 176.870 -0.058 0.000 1.036 368 L CA -2.343 52.467 54.840 -0.051 0.000 0.806 368 L CB 1.657 43.670 42.059 -0.078 0.000 1.220 368 L HN -0.047 nan 8.230 nan 0.000 0.429 369 P HA 0.112 nan 4.420 nan 0.000 0.275 369 P C -0.936 176.322 177.300 -0.070 0.000 1.227 369 P CA -0.343 62.722 63.100 -0.058 0.000 0.781 369 P CB 1.350 33.021 31.700 -0.050 0.000 0.906 370 C N 2.592 121.861 119.300 -0.051 0.000 2.985 370 C HA 0.824 5.284 4.460 0.000 0.000 0.332 370 C C -1.130 173.857 174.990 -0.005 0.000 1.164 370 C CA -0.114 58.872 59.018 -0.053 0.000 1.347 370 C CB 0.945 28.650 27.740 -0.059 0.000 1.764 370 C HN 0.768 nan 8.230 nan 0.000 0.489 371 A N 3.768 126.580 122.820 -0.015 0.000 2.423 371 A HA 0.854 5.174 4.320 0.000 0.000 0.304 371 A C -1.107 176.505 177.584 0.047 0.000 1.104 371 A CA -0.462 51.616 52.037 0.068 0.000 0.757 371 A CB 1.452 20.560 19.000 0.180 0.000 1.313 371 A HN 1.292 nan 8.150 nan 0.000 0.423 372 V N 1.994 121.975 119.914 0.111 0.000 2.432 372 V HA 0.283 4.403 4.120 0.000 0.000 0.275 372 V C 0.823 176.981 176.094 0.106 0.000 1.043 372 V CA 0.369 62.703 62.300 0.056 0.000 0.925 372 V CB 0.846 32.690 31.823 0.035 0.000 0.985 372 V HN 0.822 nan 8.190 nan 0.000 0.466 373 I N 1.200 121.767 120.570 -0.004 0.000 4.227 373 I HA 0.510 4.680 4.170 0.000 0.000 0.334 373 I C 0.556 176.510 176.117 -0.272 0.000 1.341 373 I CA 0.235 61.597 61.300 0.103 0.000 1.123 373 I CB 0.796 38.925 38.000 0.216 0.000 1.097 373 I HN 0.496 nan 8.210 nan 0.000 0.399 374 S N 0.921 116.179 115.700 -0.737 0.000 2.537 374 S HA 0.759 5.229 4.470 0.000 0.000 0.271 374 S C -0.425 173.688 174.600 -0.810 0.000 1.148 374 S CA -0.230 57.437 58.200 -0.888 0.000 0.868 374 S CB 1.454 64.473 63.200 -0.302 0.000 1.115 374 S HN 0.458 nan 8.310 nan 0.000 0.461 375 A N 4.335 126.785 122.820 -0.616 0.000 2.555 375 A HA 0.468 4.788 4.320 0.000 0.000 0.233 375 A C -2.330 175.265 177.584 0.018 0.000 1.060 375 A CA -0.403 51.527 52.037 -0.177 0.000 0.759 375 A CB -0.569 18.420 19.000 -0.017 0.000 0.995 375 A HN 0.603 nan 8.150 nan 0.000 0.506 376 P HA 0.385 nan 4.420 nan 0.000 0.274 376 P C -0.677 176.627 177.300 0.007 0.000 1.231 376 P CA -0.039 63.058 63.100 -0.005 0.000 0.790 376 P CB 1.335 33.004 31.700 -0.053 0.000 0.951 377 V N 1.999 121.943 119.914 0.051 0.000 3.087 377 V HA 0.285 4.406 4.120 0.000 0.000 0.306 377 V C -0.238 175.949 176.094 0.155 0.000 1.187 377 V CA -0.737 61.610 62.300 0.079 0.000 0.999 377 V CB 1.999 33.883 31.823 0.102 0.000 1.049 377 V HN 0.643 nan 8.190 nan 0.000 0.431 378 H N 1.472 120.631 119.070 0.148 0.000 2.598 378 H HA 0.239 4.795 4.556 0.000 0.000 0.371 378 H C 0.947 176.383 175.328 0.179 0.000 1.468 378 H CA 0.646 56.769 56.048 0.123 0.000 1.454 378 H CB 1.572 31.381 29.762 0.078 0.000 1.579 378 H HN 0.453 nan 8.280 nan 0.000 0.611 379 V N 1.026 121.106 119.914 0.277 0.000 2.626 379 V HA -0.203 3.917 4.120 0.000 0.000 0.252 379 V C 2.105 178.329 176.094 0.215 0.000 1.067 379 V CA 1.848 64.264 62.300 0.194 0.000 1.081 379 V CB -0.493 31.372 31.823 0.070 0.000 0.686 379 V HN 0.772 nan 8.190 nan 0.000 0.468 380 Q N -0.722 119.185 119.800 0.178 0.000 2.436 380 Q HA -0.170 4.170 4.340 0.000 0.000 0.209 380 Q C 0.748 176.844 176.000 0.159 0.000 0.965 380 Q CA 1.874 57.761 55.803 0.140 0.000 0.910 380 Q CB -0.534 28.264 28.738 0.101 0.000 0.980 380 Q HN 0.670 nan 8.270 nan 0.000 0.491 381 D N -0.247 120.288 120.400 0.224 0.000 2.388 381 D HA 0.164 4.804 4.640 0.000 0.000 0.221 381 D C -1.002 175.296 176.300 -0.004 0.000 1.133 381 D CA -0.036 54.063 54.000 0.165 0.000 0.831 381 D CB 0.038 41.002 40.800 0.272 0.000 0.962 381 D HN 0.101 nan 8.370 nan 0.000 0.502 382 F N 2.185 122.171 119.950 0.060 0.000 2.366 382 F HA 0.305 4.832 4.527 0.000 0.000 0.328 382 F C -1.944 173.861 175.800 0.009 0.000 1.180 382 F CA -2.311 55.697 58.000 0.014 0.000 1.232 382 F CB 0.459 39.467 39.000 0.013 0.000 1.513 382 F HN -0.153 nan 8.300 nan 0.000 0.540 383 P HA 0.266 nan 4.420 nan 0.000 0.276 383 P C 0.329 177.664 177.300 0.059 0.000 1.244 383 P CA -0.186 62.946 63.100 0.053 0.000 0.801 383 P CB 1.745 33.449 31.700 0.006 0.000 1.006 384 A N 2.421 125.277 122.820 0.060 0.000 1.929 384 A HA -0.070 4.250 4.320 0.000 0.000 0.216 384 A C 1.334 178.956 177.584 0.064 0.000 1.176 384 A CA 0.826 52.900 52.037 0.061 0.000 0.628 384 A CB -0.662 18.370 19.000 0.053 0.000 0.816 384 A HN 0.712 nan 8.150 nan 0.000 0.444 385 R N -1.462 119.071 120.500 0.055 0.000 2.641 385 R HA 0.220 4.560 4.340 0.000 0.000 0.269 385 R C -0.348 176.007 176.300 0.092 0.000 1.074 385 R CA -0.433 55.710 56.100 0.072 0.000 1.133 385 R CB -0.032 30.299 30.300 0.051 0.000 1.029 385 R HN 0.324 nan 8.270 nan 0.000 0.488 386 Y N 1.743 122.035 120.300 -0.014 0.000 2.620 386 Y HA 0.236 4.786 4.550 0.000 0.000 0.330 386 Y C -0.281 175.596 175.900 -0.039 0.000 1.186 386 Y CA 0.869 58.954 58.100 -0.024 0.000 1.467 386 Y CB 0.634 39.083 38.460 -0.018 0.000 1.262 386 Y HN 0.806 nan 8.280 nan 0.000 0.550 387 A N 8.348 130.879 122.820 -0.480 0.000 3.464 387 A HA 0.297 4.617 4.320 0.000 0.000 0.243 387 A C -2.949 174.372 177.584 -0.439 0.000 1.100 387 A CA -1.033 50.781 52.037 -0.371 0.000 0.957 387 A CB -0.197 18.678 19.000 -0.208 0.000 1.340 387 A HN 0.530 nan 8.150 nan 0.000 0.645 388 P HA 0.174 nan 4.420 nan 0.000 0.272 388 P C -0.037 177.125 177.300 -0.230 0.000 1.240 388 P CA 0.212 63.085 63.100 -0.378 0.000 0.791 388 P CB 1.039 32.513 31.700 -0.376 0.000 0.978 389 Q N -0.223 119.491 119.800 -0.143 0.000 2.324 389 Q HA 0.216 4.556 4.340 0.000 0.000 0.207 389 Q C 1.098 177.044 176.000 -0.090 0.000 0.928 389 Q CA 0.784 56.556 55.803 -0.050 0.000 0.890 389 Q CB -0.182 28.622 28.738 0.111 0.000 1.001 389 Q HN 0.532 nan 8.270 nan 0.000 0.517 390 M N -0.034 119.489 119.600 -0.129 0.000 2.240 390 M HA 0.319 4.799 4.480 0.000 0.000 0.333 390 M C 0.952 177.139 176.300 -0.188 0.000 1.110 390 M CA 0.763 55.951 55.300 -0.186 0.000 1.173 390 M CB 0.592 33.045 32.600 -0.244 0.000 1.458 390 M HN 0.387 nan 8.290 nan 0.000 0.458 391 G N 1.176 109.824 108.800 -0.254 0.000 2.601 391 G HA2 -0.283 3.677 3.960 0.000 0.000 0.252 391 G HA3 -0.283 3.677 3.960 0.000 0.000 0.252 391 G C -0.080 174.689 174.900 -0.218 0.000 1.294 391 G CA 0.064 44.952 45.100 -0.353 0.000 0.912 391 G HN 0.630 nan 8.290 nan 0.000 0.574 392 F N 0.429 120.369 119.950 -0.015 0.000 2.187 392 F HA 0.190 4.717 4.527 0.000 0.000 0.295 392 F C 2.630 178.409 175.800 -0.036 0.000 1.091 392 F CA 1.785 59.773 58.000 -0.021 0.000 1.308 392 F CB -0.645 38.353 39.000 -0.004 0.000 1.030 392 F HN 0.539 nan 8.300 nan 0.000 0.487 393 E N 0.294 120.592 120.200 0.163 0.000 2.274 393 E HA -0.007 4.343 4.350 0.000 0.000 0.194 393 E C 2.411 179.009 176.600 -0.005 0.000 0.996 393 E CA 1.040 57.494 56.400 0.091 0.000 0.840 393 E CB -0.622 29.184 29.700 0.177 0.000 0.772 393 E HN 0.268 nan 8.360 nan 0.000 0.491 394 G N 0.317 109.092 108.800 -0.042 0.000 2.402 394 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 394 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 394 G C 1.679 176.526 174.900 -0.089 0.000 1.162 394 G CA 0.721 45.763 45.100 -0.097 0.000 0.777 394 G HN 0.403 nan 8.290 nan 0.000 0.539 395 A N 1.009 123.801 122.820 -0.048 0.000 2.019 395 A HA -0.074 4.246 4.320 0.000 0.000 0.219 395 A C 2.252 179.799 177.584 -0.063 0.000 1.164 395 A CA 1.764 53.772 52.037 -0.050 0.000 0.644 395 A CB -0.329 18.694 19.000 0.038 0.000 0.805 395 A HN 0.349 nan 8.150 nan 0.000 0.449 396 N N -0.012 118.650 118.700 -0.063 0.000 2.207 396 N HA -0.081 4.659 4.740 0.000 0.000 0.182 396 N C 1.763 177.225 175.510 -0.080 0.000 1.020 396 N CA 1.500 54.484 53.050 -0.110 0.000 0.858 396 N CB -0.458 37.944 38.487 -0.143 0.000 0.991 396 N HN 0.249 nan 8.380 nan 0.000 0.427 397 V N 2.109 121.971 119.914 -0.086 0.000 2.295 397 V HA -0.171 3.949 4.120 0.000 0.000 0.246 397 V C 2.489 178.518 176.094 -0.109 0.000 1.049 397 V CA 1.160 63.410 62.300 -0.082 0.000 1.024 397 V CB -0.567 31.195 31.823 -0.101 0.000 0.648 397 V HN 0.217 nan 8.190 nan 0.000 0.447 398 L N -1.329 119.774 121.223 -0.201 0.000 2.043 398 L HA -0.253 4.087 4.340 0.000 0.000 0.212 398 L C 2.332 178.872 176.870 -0.550 0.000 1.075 398 L CA 2.064 56.609 54.840 -0.492 0.000 0.752 398 L CB -0.570 41.124 42.059 -0.609 0.000 0.891 398 L HN 0.353 nan 8.230 nan 0.000 0.432 399 F N 1.012 120.745 119.950 -0.362 0.000 2.060 399 F HA -0.258 4.269 4.527 0.000 0.000 0.295 399 F C 2.308 178.093 175.800 -0.025 0.000 1.120 399 F CA 1.901 59.792 58.000 -0.182 0.000 1.205 399 F CB -0.238 38.692 39.000 -0.117 0.000 0.986 399 F HN 0.089 nan 8.300 nan 0.000 0.470 400 D N -0.305 120.192 120.400 0.162 0.000 2.116 400 D HA -0.190 4.450 4.640 0.000 0.000 0.193 400 D C 2.275 178.639 176.300 0.107 0.000 0.998 400 D CA 2.146 56.228 54.000 0.136 0.000 0.836 400 D CB -0.825 40.024 40.800 0.082 0.000 0.951 400 D HN 0.305 nan 8.370 nan 0.000 0.449 401 T N -0.066 114.539 114.554 0.084 0.000 2.708 401 T HA -0.168 4.182 4.350 0.000 0.000 0.266 401 T C 1.636 176.558 174.700 0.370 0.000 1.037 401 T CA 1.087 63.305 62.100 0.197 0.000 1.146 401 T CB -0.264 68.732 68.868 0.212 0.000 0.865 401 T HN 0.228 nan 8.240 nan 0.000 0.435 402 W N 0.803 122.135 121.300 0.054 0.000 2.453 402 W HA 0.158 4.818 4.660 0.000 0.000 0.289 402 W C 2.350 178.891 176.519 0.036 0.000 1.215 402 W CA -0.597 56.784 57.345 0.060 0.000 1.297 402 W CB -1.373 28.141 29.460 0.090 0.000 1.113 402 W HN 0.051 nan 8.180 nan 0.000 0.551 403 V N -0.029 119.980 119.914 0.159 0.000 2.667 403 V HA -0.278 3.842 4.120 0.000 0.000 0.252 403 V C 2.170 178.365 176.094 0.169 0.000 1.065 403 V CA 2.126 64.469 62.300 0.072 0.000 1.083 403 V CB -1.107 30.609 31.823 -0.178 0.000 0.692 403 V HN 0.151 nan 8.190 nan 0.000 0.468 404 H N 2.096 121.233 119.070 0.112 0.000 2.252 404 H HA -0.138 4.418 4.556 0.000 0.000 0.292 404 H C -0.130 175.257 175.328 0.099 0.000 1.082 404 H CA 2.863 58.978 56.048 0.112 0.000 1.229 404 H CB -1.280 28.547 29.762 0.109 0.000 1.353 404 H HN 0.334 nan 8.280 nan 0.000 0.488 405 P HA -0.091 nan 4.420 nan 0.000 0.223 405 P C 1.722 178.970 177.300 -0.087 0.000 1.151 405 P CA 1.105 64.093 63.100 -0.187 0.000 0.787 405 P CB 0.048 31.717 31.700 -0.050 0.000 0.788 406 L N -0.036 121.190 121.223 0.006 0.000 2.093 406 L HA -0.117 4.223 4.340 0.000 0.000 0.208 406 L C 2.800 179.739 176.870 0.114 0.000 1.085 406 L CA 1.383 56.265 54.840 0.070 0.000 0.755 406 L CB -0.882 41.245 42.059 0.114 0.000 0.904 406 L HN -0.066 nan 8.230 nan 0.000 0.435 407 V N -2.968 117.004 119.914 0.098 0.000 2.255 407 V HA -0.186 3.934 4.120 0.000 0.000 0.243 407 V C 2.075 178.168 176.094 -0.003 0.000 1.038 407 V CA 0.907 63.259 62.300 0.086 0.000 1.008 407 V CB -0.532 31.360 31.823 0.114 0.000 0.645 407 V HN 0.279 nan 8.190 nan 0.000 0.449 408 M N 1.548 121.091 119.600 -0.095 0.000 2.826 408 M HA 0.177 4.657 4.480 0.000 0.000 0.217 408 M C 1.378 177.605 176.300 -0.122 0.000 1.049 408 M CA 0.904 56.129 55.300 -0.125 0.000 1.052 408 M CB -1.821 30.637 32.600 -0.236 0.000 1.709 408 M HN 0.696 nan 8.290 nan 0.000 0.529 409 G N -0.555 108.193 108.800 -0.087 0.000 2.766 409 G HA2 0.071 4.031 3.960 0.000 0.000 0.201 409 G HA3 0.071 4.031 3.960 0.000 0.000 0.201 409 G C 1.061 175.905 174.900 -0.094 0.000 1.177 409 G CA -0.217 44.809 45.100 -0.123 0.000 0.773 409 G HN 0.398 nan 8.290 nan 0.000 0.648 410 L N 1.047 122.303 121.223 0.054 0.000 2.191 410 L HA 0.207 4.547 4.340 0.000 0.000 0.212 410 L C 2.232 179.140 176.870 0.063 0.000 1.103 410 L CA 2.139 57.049 54.840 0.117 0.000 0.769 410 L CB -0.166 41.969 42.059 0.126 0.000 0.908 410 L HN 0.282 nan 8.230 nan 0.000 0.438 411 E N -0.572 119.641 120.200 0.022 0.000 2.208 411 E HA -0.201 4.149 4.350 0.000 0.000 0.193 411 E C 1.980 178.590 176.600 0.017 0.000 0.988 411 E CA 0.739 57.156 56.400 0.028 0.000 0.828 411 E CB 0.061 29.772 29.700 0.017 0.000 0.763 411 E HN 0.510 nan 8.360 nan 0.000 0.478 412 E N -0.957 119.211 120.200 -0.053 0.000 2.250 412 E HA -0.065 4.285 4.350 0.000 0.000 0.192 412 E C 1.319 177.871 176.600 -0.081 0.000 0.986 412 E CA 0.795 57.142 56.400 -0.089 0.000 0.849 412 E CB -0.092 29.509 29.700 -0.164 0.000 0.797 412 E HN 0.355 nan 8.360 nan 0.000 0.482 413 H N -0.267 118.797 119.070 -0.010 0.000 2.462 413 H HA 0.054 4.611 4.556 0.000 0.000 0.292 413 H C 1.888 177.169 175.328 -0.078 0.000 1.049 413 H CA 0.909 56.934 56.048 -0.039 0.000 1.334 413 H CB 0.131 29.869 29.762 -0.041 0.000 1.404 413 H HN 0.191 nan 8.280 nan 0.000 0.544 414 L N -0.376 120.883 121.223 0.060 0.000 2.179 414 L HA -0.099 4.241 4.340 0.000 0.000 0.208 414 L C 2.212 179.120 176.870 0.064 0.000 1.096 414 L CA 0.247 55.046 54.840 -0.069 0.000 0.779 414 L CB -0.079 42.061 42.059 0.134 0.000 0.922 414 L HN 0.114 nan 8.230 nan 0.000 0.443 415 L N -0.880 120.449 121.223 0.176 0.000 2.291 415 L HA -0.138 4.203 4.340 0.000 0.000 0.214 415 L C 2.349 179.293 176.870 0.124 0.000 1.120 415 L CA 1.594 56.561 54.840 0.212 0.000 0.799 415 L CB -0.402 41.730 42.059 0.123 0.000 0.925 415 L HN 0.180 nan 8.230 nan 0.000 0.446 416 T N -1.243 113.345 114.554 0.057 0.000 2.698 416 T HA -0.208 4.142 4.350 0.000 0.000 0.260 416 T C 1.874 176.561 174.700 -0.020 0.000 1.044 416 T CA 1.489 63.608 62.100 0.032 0.000 1.149 416 T CB -0.220 68.679 68.868 0.052 0.000 0.864 416 T HN 0.251 nan 8.240 nan 0.000 0.419 417 M N 0.108 119.633 119.600 -0.126 0.000 2.108 417 M HA -0.163 4.317 4.480 0.000 0.000 0.257 417 M C 1.609 177.751 176.300 -0.264 0.000 1.071 417 M CA 2.013 57.148 55.300 -0.275 0.000 1.093 417 M CB -0.249 32.049 32.600 -0.502 0.000 1.345 417 M HN 0.232 nan 8.290 nan 0.000 0.403 418 F N -0.265 119.695 119.950 0.016 0.000 2.219 418 F HA 0.100 4.628 4.527 0.000 0.000 0.294 418 F C 2.090 177.895 175.800 0.009 0.000 1.086 418 F CA 0.831 58.837 58.000 0.010 0.000 1.330 418 F CB -1.690 37.315 39.000 0.008 0.000 1.047 418 F HN 0.123 nan 8.300 nan 0.000 0.495 419 R N 0.000 120.609 120.500 0.182 0.000 2.786 419 R HA 0.000 4.340 4.340 0.000 0.000 0.208 419 R CA 0.000 56.163 56.100 0.105 0.000 0.921 419 R CB 0.000 30.338 30.300 0.063 0.000 0.687 419 R HN 0.000 nan 8.270 nan 0.000 0.535