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 3mpt_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLXX HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPP 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.635 176.600 0.059 0.000 1.382 4 E CA 0.000 56.424 56.400 0.041 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 R N 2.595 123.143 120.500 0.080 0.000 2.351 5 R HA 0.193 4.531 4.340 -0.002 0.000 0.318 5 R C -1.833 174.537 176.300 0.116 0.000 1.055 5 R CA -0.918 55.260 56.100 0.131 0.000 0.968 5 R CB 0.119 30.511 30.300 0.153 0.000 0.974 5 R HN 0.234 nan 8.270 nan 0.000 0.439 6 P HA 0.111 nan 4.420 nan 0.000 0.274 6 P C -0.778 176.564 177.300 0.071 0.000 1.256 6 P CA -0.369 62.723 63.100 -0.014 0.000 0.795 6 P CB 0.731 32.319 31.700 -0.185 0.000 1.038 7 T N 1.195 115.759 114.554 0.016 0.000 2.869 7 T HA 0.368 4.717 4.350 -0.002 0.000 0.295 7 T C -0.105 174.624 174.700 0.048 0.000 0.987 7 T CA 0.244 62.417 62.100 0.123 0.000 1.109 7 T CB -0.179 68.732 68.868 0.073 0.000 0.932 7 T HN 0.123 nan 8.240 nan 0.000 0.518 8 F N 2.530 122.503 119.950 0.039 0.000 2.432 8 F HA 0.569 5.095 4.527 -0.002 0.000 0.329 8 F C 0.026 175.910 175.800 0.138 0.000 1.076 8 F CA -1.250 56.772 58.000 0.036 0.000 1.018 8 F CB 1.017 40.010 39.000 -0.012 0.000 1.201 8 F HN 0.559 nan 8.300 nan 0.000 0.489 9 Y N -0.642 119.743 120.300 0.142 0.000 2.536 9 Y HA 0.846 5.394 4.550 -0.002 0.000 0.347 9 Y C -1.033 174.958 175.900 0.152 0.000 1.000 9 Y CA -1.906 56.265 58.100 0.119 0.000 1.051 9 Y CB 1.165 39.663 38.460 0.062 0.000 1.259 9 Y HN 0.532 nan 8.280 nan 0.000 0.468 10 R N 2.195 122.788 120.500 0.154 0.000 2.668 10 R HA 0.617 4.956 4.340 -0.002 0.000 0.279 10 R C -1.231 175.145 176.300 0.127 0.000 0.976 10 R CA -0.978 55.181 56.100 0.097 0.000 0.978 10 R CB 1.850 32.230 30.300 0.133 0.000 1.133 10 R HN 0.907 nan 8.270 nan 0.000 0.484 11 Q N -0.025 119.844 119.800 0.115 0.000 2.479 11 Q HA 0.236 4.575 4.340 -0.002 0.000 0.276 11 Q C -1.536 174.546 176.000 0.136 0.000 0.989 11 Q CA -0.932 54.944 55.803 0.122 0.000 0.864 11 Q CB 1.706 30.510 28.738 0.110 0.000 1.444 11 Q HN 0.505 nan 8.270 nan 0.000 0.388 12 E N 2.729 122.993 120.200 0.107 0.000 2.194 12 E HA 0.453 4.802 4.350 -0.002 0.000 0.284 12 E C -1.279 175.351 176.600 0.049 0.000 1.035 12 E CA -0.195 56.273 56.400 0.113 0.000 0.836 12 E CB 0.711 30.465 29.700 0.090 0.000 1.070 12 E HN 0.520 nan 8.360 nan 0.000 0.401 13 L N 3.696 124.950 121.223 0.052 0.000 2.424 13 L HA 0.302 4.641 4.340 -0.002 0.000 0.258 13 L C 0.057 176.954 176.870 0.044 0.000 0.995 13 L CA -1.019 53.753 54.840 -0.113 0.000 0.821 13 L CB 1.885 43.618 42.059 -0.542 0.000 1.383 13 L HN 0.543 nan 8.230 nan 0.000 0.410 14 N N 2.139 120.849 118.700 0.017 0.000 2.716 14 N HA -0.224 4.515 4.740 -0.002 0.000 0.250 14 N C 0.046 175.638 175.510 0.137 0.000 1.033 14 N CA 1.403 54.515 53.050 0.103 0.000 0.727 14 N CB -0.717 37.890 38.487 0.200 0.000 0.950 14 N HN 0.766 nan 8.380 nan 0.000 0.541 15 K N -4.031 116.428 120.400 0.099 0.000 3.349 15 K HA -0.243 4.076 4.320 -0.002 0.000 0.310 15 K C 0.320 176.987 176.600 0.111 0.000 1.267 15 K CA 1.656 57.995 56.287 0.087 0.000 0.920 15 K CB -1.424 31.114 32.500 0.062 0.000 1.240 15 K HN 0.503 nan 8.250 nan 0.000 0.453 16 T N -0.422 114.241 114.554 0.182 0.000 2.901 16 T HA 0.577 4.925 4.350 -0.002 0.000 0.293 16 T C -1.026 173.843 174.700 0.282 0.000 1.084 16 T CA -0.954 61.256 62.100 0.183 0.000 1.008 16 T CB 1.170 70.116 68.868 0.130 0.000 1.170 16 T HN 0.126 nan 8.240 nan 0.000 0.509 17 I N 3.285 123.979 120.570 0.207 0.000 2.379 17 I HA 0.251 4.420 4.170 -0.002 0.000 0.290 17 I C -0.589 175.732 176.117 0.340 0.000 1.063 17 I CA -0.449 60.998 61.300 0.245 0.000 1.351 17 I CB 0.285 38.375 38.000 0.150 0.000 1.410 17 I HN 0.651 nan 8.210 nan 0.000 0.505 18 W N 5.364 126.733 121.300 0.115 0.000 2.390 18 W HA 0.408 5.067 4.660 -0.002 0.000 0.312 18 W C 0.522 177.091 176.519 0.085 0.000 1.123 18 W CA -0.658 56.802 57.345 0.191 0.000 1.202 18 W CB 0.701 30.256 29.460 0.158 0.000 1.251 18 W HN 0.425 nan 8.180 nan 0.000 0.511 19 E N 3.164 123.539 120.200 0.293 0.000 2.207 19 E HA 0.480 4.828 4.350 -0.002 0.000 0.250 19 E C -1.319 175.345 176.600 0.106 0.000 0.890 19 E CA -0.532 55.964 56.400 0.160 0.000 0.749 19 E CB 0.881 30.698 29.700 0.195 0.000 1.193 19 E HN 0.333 nan 8.360 nan 0.000 0.423 20 V N 1.446 121.308 119.914 -0.087 0.000 3.001 20 V HA 0.760 4.879 4.120 -0.002 0.000 0.314 20 V C -2.797 172.906 176.094 -0.651 0.000 1.099 20 V CA -2.876 59.203 62.300 -0.368 0.000 0.989 20 V CB 1.715 33.413 31.823 -0.209 0.000 1.040 20 V HN 0.487 nan 8.190 nan 0.000 0.434 21 P HA 0.235 nan 4.420 nan 0.000 0.269 21 P C 0.680 177.818 177.300 -0.270 0.000 1.209 21 P CA 0.106 62.646 63.100 -0.933 0.000 0.776 21 P CB 0.481 31.612 31.700 -0.948 0.000 0.876 22 E N 2.439 122.557 120.200 -0.138 0.000 2.169 22 E HA -0.319 4.030 4.350 -0.002 0.000 0.202 22 E C 1.867 178.398 176.600 -0.116 0.000 1.016 22 E CA 1.455 57.847 56.400 -0.013 0.000 0.817 22 E CB -0.236 29.407 29.700 -0.096 0.000 0.736 22 E HN 0.523 nan 8.360 nan 0.000 0.462 23 R N 0.569 120.881 120.500 -0.313 0.000 2.117 23 R HA -0.172 4.167 4.340 -0.002 0.000 0.243 23 R C 0.352 176.348 176.300 -0.508 0.000 1.143 23 R CA 1.154 56.974 56.100 -0.467 0.000 0.968 23 R CB -0.847 29.054 30.300 -0.665 0.000 0.863 23 R HN 0.110 nan 8.270 nan 0.000 0.444 24 Y N 2.160 122.431 120.300 -0.049 0.000 2.393 24 Y HA 0.252 4.801 4.550 -0.002 0.000 0.338 24 Y C 0.376 176.372 175.900 0.160 0.000 1.029 24 Y CA -0.338 57.777 58.100 0.025 0.000 1.239 24 Y CB 0.682 39.147 38.460 0.008 0.000 1.170 24 Y HN 0.054 nan 8.280 nan 0.000 0.515 25 Q N 1.967 121.932 119.800 0.274 0.000 2.451 25 Q HA 0.331 4.669 4.340 -0.002 0.000 0.281 25 Q C -0.417 175.726 176.000 0.238 0.000 1.099 25 Q CA -0.984 54.971 55.803 0.252 0.000 0.806 25 Q CB 2.099 30.945 28.738 0.180 0.000 1.419 25 Q HN 0.751 nan 8.270 nan 0.000 0.427 26 N N 0.356 119.160 118.700 0.174 0.000 2.756 26 N HA -0.184 4.555 4.740 -0.002 0.000 0.248 26 N C -0.905 174.656 175.510 0.085 0.000 1.062 26 N CA 0.315 53.432 53.050 0.111 0.000 0.696 26 N CB -1.423 37.118 38.487 0.090 0.000 0.946 26 N HN 0.395 nan 8.380 nan 0.000 0.548 27 L N 0.487 121.751 121.223 0.068 0.000 2.462 27 L HA 0.199 4.538 4.340 -0.002 0.000 0.272 27 L C 0.888 177.702 176.870 -0.094 0.000 1.166 27 L CA 0.873 55.693 54.840 -0.033 0.000 0.880 27 L CB 1.085 43.074 42.059 -0.117 0.000 1.142 27 L HN 0.224 nan 8.230 nan 0.000 0.473 28 S N 4.989 120.626 115.700 -0.105 0.000 2.647 28 S HA 0.593 5.062 4.470 -0.002 0.000 0.300 28 S C -2.614 171.905 174.600 -0.135 0.000 1.129 28 S CA -1.477 56.661 58.200 -0.102 0.000 1.029 28 S CB 1.261 64.435 63.200 -0.044 0.000 1.007 28 S HN 0.239 nan 8.310 nan 0.000 0.484 29 P HA 0.043 nan 4.420 nan 0.000 0.264 29 P C 0.247 177.506 177.300 -0.069 0.000 1.193 29 P CA -0.054 62.962 63.100 -0.140 0.000 0.763 29 P CB 0.523 32.154 31.700 -0.115 0.000 0.810 30 V N 0.495 120.383 119.914 -0.043 0.000 3.078 30 V HA 0.630 4.748 4.120 -0.002 0.000 0.344 30 V C 0.388 176.476 176.094 -0.011 0.000 1.409 30 V CA 0.108 62.395 62.300 -0.021 0.000 1.146 30 V CB -0.377 31.438 31.823 -0.013 0.000 1.126 30 V HN 0.828 nan 8.190 nan 0.000 0.513 31 G N 1.235 110.031 108.800 -0.006 0.000 2.777 31 G HA2 0.015 3.973 3.960 -0.002 0.000 0.686 31 G HA3 0.015 3.973 3.960 -0.002 0.000 0.686 31 G C -0.291 174.611 174.900 0.003 0.000 1.177 31 G CA -0.309 44.790 45.100 -0.002 0.000 0.775 31 G HN 1.568 nan 8.290 nan 0.000 0.613 32 S N 0.878 116.579 115.700 0.001 0.000 2.572 32 S HA 0.729 5.197 4.470 -0.002 0.000 0.279 32 S C 1.149 175.720 174.600 -0.049 0.000 1.341 32 S CA 0.568 58.763 58.200 -0.009 0.000 1.043 32 S CB 1.869 65.062 63.200 -0.011 0.000 0.887 32 S HN 2.081 nan 8.310 nan 0.000 0.516 33 G N 0.037 108.793 108.800 -0.074 0.000 2.990 33 G HA2 0.639 4.598 3.960 -0.002 0.000 0.208 33 G HA3 0.639 4.598 3.960 -0.002 0.000 0.208 33 G C -0.306 174.461 174.900 -0.223 0.000 1.334 33 G CA -0.761 44.262 45.100 -0.129 0.000 1.024 33 G HN 1.190 nan 8.290 nan 0.000 0.574 34 A N -1.041 121.586 122.820 -0.321 0.000 2.496 34 A HA 0.458 4.776 4.320 -0.002 0.000 0.278 34 A C -0.290 176.978 177.584 -0.526 0.000 1.137 34 A CA 0.159 51.822 52.037 -0.624 0.000 0.805 34 A CB -1.365 17.224 19.000 -0.684 0.000 1.077 34 A HN 1.324 nan 8.150 nan 0.000 0.513 35 Y N -0.722 119.471 120.300 -0.178 0.000 4.272 35 Y HA -0.165 4.384 4.550 -0.002 0.000 0.232 35 Y C 0.867 176.647 175.900 -0.200 0.000 1.149 35 Y CA 1.004 58.978 58.100 -0.210 0.000 1.961 35 Y CB -1.767 36.529 38.460 -0.274 0.000 1.611 35 Y HN 1.675 nan 8.280 nan 0.000 0.682 36 G N -1.449 107.306 108.800 -0.074 0.000 2.355 36 G HA2 0.493 4.452 3.960 -0.002 0.000 0.296 36 G HA3 0.493 4.452 3.960 -0.002 0.000 0.296 36 G C -0.832 174.043 174.900 -0.040 0.000 1.507 36 G CA -0.532 44.515 45.100 -0.089 0.000 0.823 36 G HN 0.336 nan 8.290 nan 0.000 0.569 37 S N -0.925 114.787 115.700 0.021 0.000 2.562 37 S HA 0.510 4.979 4.470 -0.002 0.000 0.281 37 S C 0.297 175.061 174.600 0.272 0.000 1.333 37 S CA -0.455 57.844 58.200 0.165 0.000 1.052 37 S CB 1.541 64.945 63.200 0.341 0.000 0.884 37 S HN 0.889 nan 8.310 nan 0.000 0.506 38 V N 1.752 121.790 119.914 0.207 0.000 2.555 38 V HA 0.441 4.560 4.120 -0.002 0.000 0.302 38 V C -0.131 176.019 176.094 0.094 0.000 1.038 38 V CA -0.766 61.653 62.300 0.199 0.000 0.887 38 V CB 1.432 33.299 31.823 0.072 0.000 0.991 38 V HN 1.051 nan 8.190 nan 0.000 0.434 39 C N 3.142 122.471 119.300 0.048 0.000 2.507 39 C HA 0.851 5.310 4.460 -0.002 0.000 0.319 39 C C 0.770 175.744 174.990 -0.028 0.000 1.208 39 C CA -0.776 58.159 59.018 -0.138 0.000 1.619 39 C CB 1.258 28.723 27.740 -0.458 0.000 2.230 39 C HN 1.042 nan 8.230 nan 0.000 0.492 40 A N 2.055 124.860 122.820 -0.024 0.000 2.371 40 A HA 0.819 5.137 4.320 -0.002 0.000 0.257 40 A C 0.011 177.623 177.584 0.046 0.000 1.089 40 A CA 0.148 52.201 52.037 0.026 0.000 0.794 40 A CB 0.334 19.352 19.000 0.030 0.000 1.029 40 A HN 1.569 nan 8.150 nan 0.000 0.488 41 A N 0.608 123.493 122.820 0.108 0.000 2.606 41 A HA 0.647 4.965 4.320 -0.002 0.000 0.293 41 A C -1.301 176.437 177.584 0.258 0.000 1.082 41 A CA -0.480 51.664 52.037 0.178 0.000 0.685 41 A CB 0.828 19.951 19.000 0.203 0.000 1.284 41 A HN 1.466 nan 8.150 nan 0.000 0.408 42 F N 1.693 121.715 119.950 0.120 0.000 2.385 42 F HA 0.516 5.042 4.527 -0.002 0.000 0.360 42 F C -0.177 175.688 175.800 0.108 0.000 1.122 42 F CA -0.897 57.158 58.000 0.092 0.000 1.090 42 F CB 1.087 40.115 39.000 0.048 0.000 1.150 42 F HN 0.539 nan 8.300 nan 0.000 0.472 43 D N 4.231 124.368 120.400 -0.438 0.000 2.365 43 D HA 0.078 4.716 4.640 -0.002 0.000 0.237 43 D C 1.228 177.016 176.300 -0.852 0.000 1.190 43 D CA 0.085 53.811 54.000 -0.458 0.000 0.867 43 D CB 1.097 41.791 40.800 -0.176 0.000 1.050 43 D HN 0.680 nan 8.370 nan 0.000 0.491 44 T N 1.061 115.205 114.554 -0.683 0.000 3.007 44 T HA -0.083 4.266 4.350 -0.002 0.000 0.270 44 T C 1.488 175.990 174.700 -0.330 0.000 1.107 44 T CA 0.786 62.590 62.100 -0.492 0.000 1.118 44 T CB 0.027 68.789 68.868 -0.177 0.000 0.889 44 T HN 0.297 nan 8.240 nan 0.000 0.506 45 K N 0.911 121.106 120.400 -0.342 0.000 2.243 45 K HA 0.031 4.350 4.320 -0.002 0.000 0.201 45 K C 2.425 178.919 176.600 -0.177 0.000 1.051 45 K CA 1.484 57.635 56.287 -0.227 0.000 0.970 45 K CB 0.104 32.471 32.500 -0.222 0.000 0.755 45 K HN 0.619 nan 8.250 nan 0.000 0.465 46 T N -4.496 109.930 114.554 -0.212 0.000 2.959 46 T HA 0.202 4.551 4.350 -0.002 0.000 0.254 46 T C 1.322 175.945 174.700 -0.127 0.000 1.003 46 T CA 0.440 62.461 62.100 -0.131 0.000 0.950 46 T CB 0.896 69.710 68.868 -0.088 0.000 1.090 46 T HN 0.231 nan 8.240 nan 0.000 0.503 47 G N 1.596 110.235 108.800 -0.268 0.000 2.162 47 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.260 47 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.260 47 G C -0.101 174.775 174.900 -0.040 0.000 0.976 47 G CA 0.307 45.304 45.100 -0.171 0.000 0.655 47 G HN 0.653 nan 8.290 nan 0.000 0.533 48 L N 0.094 121.242 121.223 -0.125 0.000 2.375 48 L HA 0.526 4.864 4.340 -0.002 0.000 0.271 48 L C 1.237 178.150 176.870 0.071 0.000 1.107 48 L CA -0.936 53.917 54.840 0.022 0.000 0.806 48 L CB 0.870 42.931 42.059 0.002 0.000 1.146 48 L HN 0.073 nan 8.230 nan 0.000 0.447 49 R N 1.850 122.458 120.500 0.180 0.000 2.347 49 R HA 0.391 4.730 4.340 -0.002 0.000 0.304 49 R C -0.647 175.731 176.300 0.130 0.000 1.072 49 R CA -0.270 55.948 56.100 0.197 0.000 0.980 49 R CB 0.920 31.327 30.300 0.178 0.000 0.986 49 R HN 0.502 nan 8.270 nan 0.000 0.448 50 V N -0.594 119.391 119.914 0.119 0.000 3.001 50 V HA 0.887 5.005 4.120 -0.002 0.000 0.314 50 V C -0.524 175.611 176.094 0.069 0.000 1.099 50 V CA -1.256 61.091 62.300 0.078 0.000 0.989 50 V CB 2.057 33.924 31.823 0.074 0.000 1.040 50 V HN 0.752 nan 8.190 nan 0.000 0.434 51 A N 2.138 124.985 122.820 0.045 0.000 2.288 51 A HA 0.818 5.136 4.320 -0.002 0.000 0.320 51 A C -0.555 177.047 177.584 0.030 0.000 1.217 51 A CA -0.605 51.456 52.037 0.041 0.000 0.840 51 A CB 1.108 20.129 19.000 0.034 0.000 1.179 51 A HN 1.338 nan 8.150 nan 0.000 0.504 52 V N 3.215 123.174 119.914 0.076 0.000 2.357 52 V HA 0.383 4.501 4.120 -0.002 0.000 0.284 52 V C 0.125 176.376 176.094 0.262 0.000 1.018 52 V CA -0.581 61.797 62.300 0.130 0.000 0.841 52 V CB 1.276 33.223 31.823 0.208 0.000 0.991 52 V HN 0.907 nan 8.190 nan 0.000 0.437 53 K N 4.615 125.071 120.400 0.094 0.000 2.265 53 K HA 0.459 4.778 4.320 -0.002 0.000 0.267 53 K C -0.347 176.119 176.600 -0.225 0.000 0.994 53 K CA -0.652 55.649 56.287 0.023 0.000 0.860 53 K CB 1.099 33.562 32.500 -0.061 0.000 1.099 53 K HN 0.635 nan 8.250 nan 0.000 0.448 54 K N 6.355 126.459 120.400 -0.494 0.000 2.253 54 K HA 0.214 4.532 4.320 -0.002 0.000 0.277 54 K C -0.595 175.615 176.600 -0.649 0.000 1.053 54 K CA -0.546 55.134 56.287 -1.011 0.000 0.892 54 K CB 0.591 32.036 32.500 -1.759 0.000 1.102 54 K HN 0.635 nan 8.250 nan 0.000 0.469 55 L N 3.103 123.965 121.223 -0.602 0.000 2.455 55 L HA 0.028 4.367 4.340 -0.002 0.000 0.272 55 L C 0.636 177.264 176.870 -0.403 0.000 1.174 55 L CA -0.095 54.493 54.840 -0.420 0.000 0.869 55 L CB 1.165 42.983 42.059 -0.401 0.000 1.130 55 L HN 0.649 nan 8.230 nan 0.000 0.474 56 S N 4.917 120.456 115.700 -0.267 0.000 2.430 56 S HA 0.204 4.672 4.470 -0.002 0.000 0.282 56 S C 0.306 174.810 174.600 -0.159 0.000 1.186 56 S CA -0.524 57.560 58.200 -0.193 0.000 1.060 56 S CB -0.195 62.944 63.200 -0.101 0.000 0.966 56 S HN 0.626 nan 8.310 nan 0.000 0.501 57 R N 3.442 123.832 120.500 -0.184 0.000 2.939 57 R HA -0.109 4.230 4.340 -0.002 0.000 0.255 57 R C -2.113 174.085 176.300 -0.170 0.000 0.882 57 R CA 0.610 56.617 56.100 -0.154 0.000 0.658 57 R CB -1.163 29.089 30.300 -0.081 0.000 1.447 57 R HN 0.565 nan 8.270 nan 0.000 0.506 58 P HA -0.119 nan 4.420 nan 0.000 0.229 58 P C 0.120 176.965 177.300 -0.759 0.000 1.160 58 P CA 1.229 63.891 63.100 -0.730 0.000 0.777 58 P CB 0.246 31.222 31.700 -1.207 0.000 0.814 59 F N -0.756 119.146 119.950 -0.079 0.000 2.835 59 F HA 0.395 4.921 4.527 -0.002 0.000 0.342 59 F C 2.084 177.840 175.800 -0.074 0.000 1.202 59 F CA -0.655 57.310 58.000 -0.058 0.000 1.240 59 F CB -0.488 38.462 39.000 -0.082 0.000 1.005 59 F HN -0.169 nan 8.300 nan 0.000 0.507 60 Q N 0.841 120.623 119.800 -0.031 0.000 2.123 60 Q HA -0.037 4.302 4.340 -0.002 0.000 0.199 60 Q C 0.666 176.582 176.000 -0.140 0.000 0.966 60 Q CA 1.305 57.018 55.803 -0.150 0.000 0.845 60 Q CB 0.411 28.934 28.738 -0.358 0.000 0.907 60 Q HN 0.486 nan 8.270 nan 0.000 0.439 61 S N -2.415 113.210 115.700 -0.125 0.000 2.697 61 S HA 0.351 4.819 4.470 -0.002 0.000 0.289 61 S C 0.793 175.427 174.600 0.057 0.000 1.149 61 S CA -0.833 57.337 58.200 -0.051 0.000 0.850 61 S CB 0.360 63.494 63.200 -0.111 0.000 1.151 61 S HN 0.198 nan 8.310 nan 0.000 0.491 62 I N 0.602 121.214 120.570 0.070 0.000 2.179 62 I HA -0.131 4.037 4.170 -0.002 0.000 0.242 62 I C 2.096 178.210 176.117 -0.005 0.000 1.088 62 I CA 1.306 62.675 61.300 0.114 0.000 1.357 62 I CB -0.482 37.611 38.000 0.154 0.000 1.051 62 I HN 0.597 nan 8.210 nan 0.000 0.409 63 I N -0.017 120.551 120.570 -0.003 0.000 2.194 63 I HA -0.371 3.798 4.170 -0.002 0.000 0.246 63 I C 2.589 178.654 176.117 -0.087 0.000 1.093 63 I CA 1.626 62.895 61.300 -0.052 0.000 1.355 63 I CB -0.621 37.380 38.000 0.001 0.000 1.046 63 I HN 0.283 nan 8.210 nan 0.000 0.413 64 H N 0.048 119.010 119.070 -0.180 0.000 2.326 64 H HA -0.112 4.443 4.556 -0.002 0.000 0.301 64 H C 2.383 177.586 175.328 -0.208 0.000 1.081 64 H CA 1.248 57.158 56.048 -0.231 0.000 1.334 64 H CB 0.008 29.659 29.762 -0.186 0.000 1.385 64 H HN 0.389 nan 8.280 nan 0.000 0.504 65 A N 1.394 124.256 122.820 0.070 0.000 1.883 65 A HA -0.220 4.099 4.320 -0.002 0.000 0.217 65 A C 2.279 179.846 177.584 -0.029 0.000 1.186 65 A CA 1.872 54.040 52.037 0.217 0.000 0.624 65 A CB -0.465 18.772 19.000 0.394 0.000 0.822 65 A HN 0.305 nan 8.150 nan 0.000 0.444 66 K N -0.024 120.094 120.400 -0.469 0.000 2.155 66 K HA -0.158 4.161 4.320 -0.002 0.000 0.203 66 K C 2.257 178.642 176.600 -0.357 0.000 1.052 66 K CA 1.317 57.072 56.287 -0.887 0.000 0.948 66 K CB -0.133 31.577 32.500 -1.316 0.000 0.728 66 K HN 0.666 nan 8.250 nan 0.000 0.448 67 R N -0.664 119.654 120.500 -0.304 0.000 2.153 67 R HA 0.017 4.355 4.340 -0.002 0.000 0.218 67 R C 1.716 177.876 176.300 -0.234 0.000 1.072 67 R CA 1.352 57.279 56.100 -0.289 0.000 0.990 67 R CB -0.538 29.451 30.300 -0.518 0.000 0.889 67 R HN -0.076 nan 8.270 nan 0.000 0.452 68 T N 0.875 115.302 114.554 -0.211 0.000 2.674 68 T HA -0.213 4.135 4.350 -0.002 0.000 0.265 68 T C 1.361 176.063 174.700 0.005 0.000 1.039 68 T CA 1.672 63.689 62.100 -0.139 0.000 1.150 68 T CB -0.504 68.246 68.868 -0.196 0.000 0.864 68 T HN 0.330 nan 8.240 nan 0.000 0.427 69 Y N 2.335 122.622 120.300 -0.022 0.000 2.081 69 Y HA -0.211 4.338 4.550 -0.002 0.000 0.280 69 Y C 2.731 178.551 175.900 -0.133 0.000 1.163 69 Y CA 1.833 59.919 58.100 -0.023 0.000 1.135 69 Y CB -0.318 38.159 38.460 0.029 0.000 0.970 69 Y HN -0.007 nan 8.280 nan 0.000 0.498 70 R N 0.453 120.890 120.500 -0.104 0.000 2.083 70 R HA -0.248 4.090 4.340 -0.002 0.000 0.237 70 R C 2.369 178.661 176.300 -0.013 0.000 1.137 70 R CA 2.124 58.224 56.100 -0.001 0.000 0.951 70 R CB -0.551 29.887 30.300 0.230 0.000 0.851 70 R HN 0.586 nan 8.270 nan 0.000 0.434 71 E N 0.105 120.284 120.200 -0.036 0.000 2.077 71 E HA -0.212 4.136 4.350 -0.002 0.000 0.193 71 E C 2.043 178.620 176.600 -0.039 0.000 0.989 71 E CA 1.132 57.519 56.400 -0.022 0.000 0.800 71 E CB -0.066 29.615 29.700 -0.030 0.000 0.746 71 E HN 0.268 nan 8.360 nan 0.000 0.452 72 L N 1.482 122.650 121.223 -0.092 0.000 1.989 72 L HA -0.187 4.152 4.340 -0.002 0.000 0.211 72 L C 2.326 179.143 176.870 -0.090 0.000 1.071 72 L CA 1.719 56.500 54.840 -0.098 0.000 0.749 72 L CB -0.568 41.435 42.059 -0.093 0.000 0.890 72 L HN 0.038 nan 8.230 nan 0.000 0.431 73 R N -0.350 120.014 120.500 -0.226 0.000 2.096 73 R HA -0.168 4.171 4.340 -0.002 0.000 0.240 73 R C 2.325 178.724 176.300 0.165 0.000 1.139 73 R CA 1.925 57.947 56.100 -0.129 0.000 0.952 73 R CB -1.190 28.876 30.300 -0.390 0.000 0.854 73 R HN 0.428 nan 8.270 nan 0.000 0.436 74 L N 0.470 121.796 121.223 0.171 0.000 1.989 74 L HA -0.191 4.148 4.340 -0.002 0.000 0.211 74 L C 2.564 179.595 176.870 0.269 0.000 1.071 74 L CA 1.270 56.229 54.840 0.198 0.000 0.749 74 L CB -0.507 41.704 42.059 0.253 0.000 0.890 74 L HN 0.140 nan 8.230 nan 0.000 0.431 75 L N -0.586 120.770 121.223 0.222 0.000 2.083 75 L HA -0.213 4.125 4.340 -0.002 0.000 0.209 75 L C 2.576 179.564 176.870 0.196 0.000 1.083 75 L CA 1.243 56.211 54.840 0.213 0.000 0.752 75 L CB -0.448 41.659 42.059 0.080 0.000 0.899 75 L HN 0.225 nan 8.230 nan 0.000 0.433 76 K N -1.049 119.461 120.400 0.183 0.000 2.211 76 K HA -0.208 4.111 4.320 -0.002 0.000 0.203 76 K C 2.024 178.794 176.600 0.284 0.000 1.050 76 K CA 1.092 57.527 56.287 0.246 0.000 0.945 76 K CB -0.086 32.548 32.500 0.224 0.000 0.732 76 K HN 0.255 nan 8.250 nan 0.000 0.451 77 H N -0.203 118.971 119.070 0.174 0.000 2.482 77 H HA 0.129 4.684 4.556 -0.002 0.000 0.286 77 H C 0.117 175.536 175.328 0.153 0.000 1.017 77 H CA 0.519 56.668 56.048 0.168 0.000 1.322 77 H CB 0.336 30.204 29.762 0.177 0.000 1.426 77 H HN -0.094 nan 8.280 nan 0.000 0.546 78 M N 1.704 121.379 119.600 0.124 0.000 2.143 78 M HA 0.166 4.645 4.480 -0.002 0.000 0.348 78 M C -0.626 175.710 176.300 0.060 0.000 1.375 78 M CA 0.564 55.915 55.300 0.085 0.000 1.124 78 M CB 0.640 33.238 32.600 -0.004 0.000 1.669 78 M HN 0.138 nan 8.290 nan 0.000 0.469 79 K N 3.136 123.544 120.400 0.014 0.000 2.827 79 K HA 0.322 4.640 4.320 -0.002 0.000 0.186 79 K C -0.964 175.484 176.600 -0.253 0.000 1.093 79 K CA -0.370 55.885 56.287 -0.053 0.000 0.993 79 K CB 1.273 33.774 32.500 0.002 0.000 1.199 79 K HN 0.581 nan 8.250 nan 0.000 0.598 80 H N 0.844 119.636 119.070 -0.464 0.000 2.996 80 H HA 0.147 4.702 4.556 -0.002 0.000 0.368 80 H C 0.023 175.153 175.328 -0.329 0.000 1.185 80 H CA -0.331 55.353 56.048 -0.606 0.000 1.160 80 H CB 1.801 30.821 29.762 -1.236 0.000 1.820 80 H HN 0.381 nan 8.280 nan 0.000 0.547 81 E N 1.977 121.899 120.200 -0.464 0.000 2.160 81 E HA -0.169 4.180 4.350 -0.002 0.000 0.195 81 E C 0.302 176.858 176.600 -0.073 0.000 0.991 81 E CA 1.514 57.774 56.400 -0.235 0.000 0.810 81 E CB 0.157 29.695 29.700 -0.269 0.000 0.742 81 E HN 0.529 nan 8.360 nan 0.000 0.466 82 N N -0.516 118.283 118.700 0.165 0.000 2.251 82 N HA 0.094 4.832 4.740 -0.002 0.000 0.217 82 N C -1.337 174.173 175.510 0.001 0.000 1.124 82 N CA -0.254 52.831 53.050 0.058 0.000 0.843 82 N CB 1.344 39.843 38.487 0.019 0.000 1.024 82 N HN -0.160 nan 8.380 nan 0.000 0.501 83 V N 1.147 121.070 119.914 0.016 0.000 2.638 83 V HA 0.296 4.414 4.120 -0.002 0.000 0.306 83 V C -0.260 175.901 176.094 0.111 0.000 1.052 83 V CA -1.026 61.288 62.300 0.025 0.000 0.885 83 V CB 2.241 33.987 31.823 -0.129 0.000 0.999 83 V HN 0.021 nan 8.190 nan 0.000 0.424 84 I N 4.068 124.779 120.570 0.234 0.000 2.662 84 I HA 0.429 4.598 4.170 -0.002 0.000 0.285 84 I C 0.971 177.249 176.117 0.269 0.000 1.161 84 I CA 1.178 62.611 61.300 0.222 0.000 1.415 84 I CB 0.403 38.500 38.000 0.163 0.000 1.385 84 I HN 0.773 nan 8.210 nan 0.000 0.552 85 G N 6.415 115.345 108.800 0.217 0.000 2.552 85 G HA2 0.517 4.475 3.960 -0.002 0.000 0.318 85 G HA3 0.517 4.475 3.960 -0.002 0.000 0.318 85 G C -1.283 173.721 174.900 0.173 0.000 1.240 85 G CA -0.779 44.441 45.100 0.201 0.000 1.002 85 G HN 0.504 nan 8.290 nan 0.000 0.493 86 L N 0.459 121.783 121.223 0.170 0.000 2.257 86 L HA 0.414 4.753 4.340 -0.002 0.000 0.290 86 L C 0.998 177.980 176.870 0.188 0.000 1.044 86 L CA -0.253 54.643 54.840 0.094 0.000 0.810 86 L CB 1.042 43.103 42.059 0.003 0.000 1.193 86 L HN 0.505 nan 8.230 nan 0.000 0.425 87 L N 2.657 123.942 121.223 0.103 0.000 2.209 87 L HA 0.226 4.565 4.340 -0.002 0.000 0.207 87 L C -0.062 177.001 176.870 0.321 0.000 1.094 87 L CA 0.495 55.436 54.840 0.168 0.000 0.790 87 L CB -0.002 42.060 42.059 0.006 0.000 0.932 87 L HN 0.641 nan 8.230 nan 0.000 0.447 88 D N -1.718 118.731 120.400 0.081 0.000 2.706 88 D HA 0.353 4.992 4.640 -0.002 0.000 0.227 88 D C -1.672 174.440 176.300 -0.314 0.000 1.233 88 D CA -0.179 53.852 54.000 0.051 0.000 0.768 88 D CB 2.568 43.570 40.800 0.336 0.000 1.490 88 D HN -0.278 nan 8.370 nan 0.000 0.458 89 V N 3.482 123.153 119.914 -0.404 0.000 2.760 89 V HA 0.929 5.048 4.120 -0.002 0.000 0.309 89 V C -1.599 174.544 176.094 0.082 0.000 1.077 89 V CA -0.473 61.660 62.300 -0.278 0.000 0.910 89 V CB 1.299 32.873 31.823 -0.416 0.000 1.008 89 V HN 0.522 nan 8.190 nan 0.000 0.424 90 F N 2.489 122.498 119.950 0.099 0.000 2.686 90 F HA 0.899 5.424 4.527 -0.003 0.000 0.311 90 F C -0.776 175.231 175.800 0.345 0.000 1.128 90 F CA -0.591 57.541 58.000 0.219 0.000 0.946 90 F CB 1.773 40.923 39.000 0.249 0.000 1.336 90 F HN 0.579 nan 8.300 nan 0.000 0.457 91 T N 1.316 116.240 114.554 0.617 0.000 2.912 91 T HA 0.508 4.857 4.350 -0.002 0.000 0.299 91 T C -2.370 172.491 174.700 0.267 0.000 1.052 91 T CA -1.822 60.598 62.100 0.534 0.000 0.996 91 T CB 2.026 71.245 68.868 0.586 0.000 1.070 91 T HN 0.570 nan 8.240 nan 0.000 0.465 92 P HA 0.209 nan 4.420 nan 0.000 0.231 92 P C 0.386 177.534 177.300 -0.253 0.000 1.168 92 P CA 0.035 62.783 63.100 -0.587 0.000 0.779 92 P CB -0.128 31.359 31.700 -0.355 0.000 0.844 93 A N 0.979 123.828 122.820 0.049 0.000 2.511 93 A HA 0.063 4.382 4.320 -0.002 0.000 0.242 93 A C 1.213 178.864 177.584 0.111 0.000 1.069 93 A CA 0.003 52.115 52.037 0.125 0.000 0.763 93 A CB -0.063 19.120 19.000 0.305 0.000 1.001 93 A HN 0.060 nan 8.150 nan 0.000 0.498 94 R N 0.631 121.175 120.500 0.074 0.000 2.300 94 R HA 0.135 4.474 4.340 -0.002 0.000 0.199 94 R C 0.229 176.596 176.300 0.111 0.000 0.920 94 R CA 0.865 57.011 56.100 0.076 0.000 1.046 94 R CB 0.109 30.432 30.300 0.038 0.000 0.984 94 R HN 0.862 nan 8.270 nan 0.000 0.493 95 S N -1.645 114.112 115.700 0.095 0.000 2.615 95 S HA 0.136 4.605 4.470 -0.002 0.000 0.269 95 S C 0.237 174.689 174.600 -0.247 0.000 1.161 95 S CA -0.928 57.274 58.200 0.003 0.000 0.817 95 S CB 0.963 64.146 63.200 -0.028 0.000 1.131 95 S HN -0.026 nan 8.310 nan 0.000 0.467 96 L N 1.299 122.148 121.223 -0.622 0.000 2.079 96 L HA 0.059 4.397 4.340 -0.002 0.000 0.210 96 L C 2.164 178.866 176.870 -0.281 0.000 1.081 96 L CA 2.232 56.589 54.840 -0.804 0.000 0.752 96 L CB -1.266 40.388 42.059 -0.676 0.000 0.896 96 L HN 0.850 nan 8.230 nan 0.000 0.433 97 E N 0.390 120.486 120.200 -0.174 0.000 2.118 97 E HA -0.233 4.115 4.350 -0.002 0.000 0.195 97 E C 1.856 178.433 176.600 -0.040 0.000 0.992 97 E CA 1.713 58.061 56.400 -0.088 0.000 0.804 97 E CB -0.248 29.414 29.700 -0.063 0.000 0.741 97 E HN 0.843 nan 8.360 nan 0.000 0.458 98 E N -0.603 119.590 120.200 -0.010 0.000 2.476 98 E HA 0.025 4.374 4.350 -0.002 0.000 0.196 98 E C -0.224 176.449 176.600 0.122 0.000 1.029 98 E CA -0.478 55.945 56.400 0.038 0.000 0.896 98 E CB -0.140 29.580 29.700 0.033 0.000 1.012 98 E HN 0.055 nan 8.360 nan 0.000 0.475 99 F N 2.690 122.604 119.950 -0.060 0.000 2.533 99 F HA 0.160 4.685 4.527 -0.003 0.000 0.378 99 F C 0.352 176.213 175.800 0.102 0.000 1.070 99 F CA -0.162 57.859 58.000 0.036 0.000 1.172 99 F CB 0.398 39.375 39.000 -0.039 0.000 1.085 99 F HN -0.066 nan 8.300 nan 0.000 0.552 100 N N 2.933 121.531 118.700 -0.170 0.000 1.941 100 N HA 0.031 4.770 4.740 -0.002 0.000 0.229 100 N C -1.181 174.171 175.510 -0.264 0.000 1.397 100 N CA -0.017 52.933 53.050 -0.166 0.000 0.824 100 N CB 0.585 39.036 38.487 -0.060 0.000 1.083 100 N HN 0.473 nan 8.380 nan 0.000 0.488 101 D N 0.643 120.886 120.400 -0.261 0.000 2.738 101 D HA 0.429 5.067 4.640 -0.002 0.000 0.237 101 D C -0.641 175.549 176.300 -0.183 0.000 1.123 101 D CA -0.270 53.555 54.000 -0.291 0.000 0.856 101 D CB 3.422 44.098 40.800 -0.207 0.000 1.552 101 D HN -0.323 nan 8.370 nan 0.000 0.480 102 V N 2.317 122.012 119.914 -0.365 0.000 2.588 102 V HA 0.410 4.529 4.120 -0.002 0.000 0.304 102 V C -1.159 174.652 176.094 -0.471 0.000 1.042 102 V CA -0.728 61.455 62.300 -0.195 0.000 0.877 102 V CB 1.338 33.079 31.823 -0.137 0.000 0.996 102 V HN 0.411 nan 8.190 nan 0.000 0.425 103 Y N 4.492 124.490 120.300 -0.504 0.000 2.376 103 Y HA 0.718 5.267 4.550 -0.003 0.000 0.340 103 Y C -0.170 175.323 175.900 -0.679 0.000 0.965 103 Y CA -0.715 56.932 58.100 -0.755 0.000 1.078 103 Y CB 1.875 39.480 38.460 -1.424 0.000 1.193 103 Y HN 0.443 nan 8.280 nan 0.000 0.452 104 L N 4.184 125.224 121.223 -0.304 0.000 2.329 104 L HA 0.780 5.119 4.340 -0.002 0.000 0.279 104 L C -0.989 175.780 176.870 -0.169 0.000 1.014 104 L CA -1.099 53.599 54.840 -0.237 0.000 0.814 104 L CB 1.661 43.610 42.059 -0.184 0.000 1.257 104 L HN 0.294 nan 8.230 nan 0.000 0.424 105 V N 1.546 121.375 119.914 -0.141 0.000 2.487 105 V HA 0.673 4.791 4.120 -0.002 0.000 0.298 105 V C -0.105 175.959 176.094 -0.049 0.000 1.028 105 V CA -0.320 61.931 62.300 -0.082 0.000 0.860 105 V CB 1.759 33.548 31.823 -0.057 0.000 0.991 105 V HN 0.864 nan 8.190 nan 0.000 0.427 106 T N 1.833 116.367 114.554 -0.033 0.000 2.812 106 T HA 0.435 4.784 4.350 -0.002 0.000 0.294 106 T C -0.649 174.037 174.700 -0.024 0.000 1.159 106 T CA -0.567 61.520 62.100 -0.022 0.000 1.008 106 T CB 1.328 70.218 68.868 0.036 0.000 1.289 106 T HN 0.736 nan 8.240 nan 0.000 0.514 107 H N 1.128 120.228 119.070 0.051 0.000 2.972 107 H HA 0.221 4.776 4.556 -0.002 0.000 0.343 107 H C -0.298 175.053 175.328 0.038 0.000 1.054 107 H CA 0.211 56.288 56.048 0.049 0.000 1.412 107 H CB 0.657 30.444 29.762 0.042 0.000 1.385 107 H HN 0.233 nan 8.280 nan 0.000 0.600 108 L N 4.994 126.317 121.223 0.166 0.000 2.298 108 L HA 0.242 4.581 4.340 -0.002 0.000 0.284 108 L C -0.480 176.450 176.870 0.099 0.000 1.013 108 L CA -0.436 54.467 54.840 0.105 0.000 0.824 108 L CB 0.859 42.967 42.059 0.082 0.000 1.221 108 L HN 0.474 nan 8.230 nan 0.000 0.418 109 M N 2.731 122.371 119.600 0.066 0.000 2.471 109 M HA 0.368 4.847 4.480 -0.002 0.000 0.309 109 M C 1.490 177.808 176.300 0.030 0.000 1.186 109 M CA -0.136 55.189 55.300 0.042 0.000 1.008 109 M CB 0.839 33.448 32.600 0.015 0.000 1.551 109 M HN 0.689 nan 8.290 nan 0.000 0.477 110 G N 1.014 109.828 108.800 0.023 0.000 2.469 110 G HA2 0.120 4.079 3.960 -0.002 0.000 0.220 110 G HA3 0.120 4.079 3.960 -0.002 0.000 0.220 110 G C 0.412 175.316 174.900 0.006 0.000 1.136 110 G CA 1.206 46.316 45.100 0.017 0.000 0.759 110 G HN 0.908 nan 8.290 nan 0.000 0.562 111 A N -0.831 121.987 122.820 -0.003 0.000 2.536 111 A HA 0.572 4.891 4.320 -0.002 0.000 0.293 111 A C -1.456 176.114 177.584 -0.023 0.000 1.119 111 A CA 0.005 52.035 52.037 -0.012 0.000 0.654 111 A CB 0.561 19.553 19.000 -0.013 0.000 1.291 111 A HN 0.267 nan 8.150 nan 0.000 0.439 112 D N -0.998 119.384 120.400 -0.029 0.000 2.487 112 D HA 0.471 5.110 4.640 -0.002 0.000 0.262 112 D C 0.805 177.076 176.300 -0.048 0.000 1.130 112 D CA -0.607 53.367 54.000 -0.043 0.000 1.038 112 D CB 0.434 41.204 40.800 -0.049 0.000 1.142 112 D HN 0.319 nan 8.370 nan 0.000 0.575 113 L N 0.424 121.609 121.223 -0.064 0.000 2.141 113 L HA -0.063 4.275 4.340 -0.002 0.000 0.209 113 L C 1.545 178.388 176.870 -0.045 0.000 1.094 113 L CA 1.521 56.323 54.840 -0.064 0.000 0.763 113 L CB -1.362 40.644 42.059 -0.088 0.000 0.908 113 L HN 0.409 nan 8.230 nan 0.000 0.437 114 N N 0.262 118.936 118.700 -0.043 0.000 2.091 114 N HA -0.229 4.509 4.740 -0.002 0.000 0.193 114 N C 1.503 177.011 175.510 -0.005 0.000 1.021 114 N CA 1.583 54.623 53.050 -0.015 0.000 0.862 114 N CB -0.351 38.126 38.487 -0.016 0.000 1.018 114 N HN 0.434 nan 8.380 nan 0.000 0.429 115 N N 0.247 118.939 118.700 -0.013 0.000 2.300 115 N HA -0.009 4.729 4.740 -0.002 0.000 0.179 115 N C 1.606 177.110 175.510 -0.010 0.000 1.016 115 N CA 0.381 53.426 53.050 -0.008 0.000 0.876 115 N CB -0.102 38.378 38.487 -0.011 0.000 0.979 115 N HN 0.238 nan 8.380 nan 0.000 0.432 116 I N 0.570 121.128 120.570 -0.020 0.000 2.193 116 I HA -0.116 4.053 4.170 -0.002 0.000 0.240 116 I C 2.214 178.323 176.117 -0.013 0.000 1.084 116 I CA 0.674 61.957 61.300 -0.027 0.000 1.365 116 I CB -1.360 36.612 38.000 -0.046 0.000 1.064 116 I HN -0.129 nan 8.210 nan 0.000 0.410 117 V N 1.250 121.161 119.914 -0.005 0.000 2.380 117 V HA -0.298 3.821 4.120 -0.002 0.000 0.251 117 V C 2.521 178.628 176.094 0.021 0.000 1.063 117 V CA 1.888 64.195 62.300 0.013 0.000 1.055 117 V CB -0.906 30.931 31.823 0.023 0.000 0.657 117 V HN 0.416 nan 8.190 nan 0.000 0.455 118 K N -0.963 119.449 120.400 0.020 0.000 2.098 118 K HA -0.029 4.290 4.320 -0.002 0.000 0.203 118 K C 1.916 178.526 176.600 0.017 0.000 1.051 118 K CA 1.548 57.849 56.287 0.023 0.000 0.957 118 K CB -0.227 32.288 32.500 0.026 0.000 0.738 118 K HN 0.433 nan 8.250 nan 0.000 0.447 119 C N 1.547 120.853 119.300 0.010 0.000 2.697 119 C HA 0.126 4.585 4.460 -0.002 0.000 0.267 119 C C 0.332 175.326 174.990 0.007 0.000 1.278 119 C CA -0.443 58.579 59.018 0.007 0.000 1.708 119 C CB -1.087 26.655 27.740 0.004 0.000 1.860 119 C HN 0.426 nan 8.230 nan 0.000 0.589 120 Q N -0.226 119.578 119.800 0.007 0.000 2.522 120 Q HA 0.314 4.653 4.340 -0.002 0.000 0.285 120 Q C -1.634 174.384 176.000 0.031 0.000 0.982 120 Q CA -0.648 55.164 55.803 0.015 0.000 0.805 120 Q CB 1.415 30.155 28.738 0.004 0.000 1.457 120 Q HN 0.201 nan 8.270 nan 0.000 0.394 121 K N 1.536 121.967 120.400 0.052 0.000 2.298 121 K HA 0.382 4.701 4.320 -0.002 0.000 0.280 121 K C -0.768 175.911 176.600 0.133 0.000 1.032 121 K CA -0.306 56.026 56.287 0.075 0.000 0.958 121 K CB 0.521 33.062 32.500 0.069 0.000 0.978 121 K HN 0.583 nan 8.250 nan 0.000 0.472 122 L N 4.616 125.923 121.223 0.140 0.000 2.265 122 L HA 0.191 4.529 4.340 -0.002 0.000 0.289 122 L C 0.705 177.698 176.870 0.206 0.000 1.033 122 L CA -0.775 54.205 54.840 0.233 0.000 0.814 122 L CB 1.310 43.465 42.059 0.160 0.000 1.203 122 L HN 0.799 nan 8.230 nan 0.000 0.423 123 T N -2.415 112.273 114.554 0.223 0.000 2.813 123 T HA -0.007 4.342 4.350 -0.002 0.000 0.297 123 T C 0.851 175.593 174.700 0.071 0.000 1.036 123 T CA -0.512 61.610 62.100 0.036 0.000 1.044 123 T CB 1.235 69.998 68.868 -0.175 0.000 0.993 123 T HN 0.614 nan 8.240 nan 0.000 0.535 124 D N 0.058 120.496 120.400 0.062 0.000 2.149 124 D HA -0.159 4.479 4.640 -0.002 0.000 0.198 124 D C 1.642 178.001 176.300 0.099 0.000 0.990 124 D CA 1.477 55.549 54.000 0.119 0.000 0.839 124 D CB -0.379 40.496 40.800 0.124 0.000 0.948 124 D HN 0.797 nan 8.370 nan 0.000 0.460 125 D N -1.535 118.877 120.400 0.019 0.000 2.144 125 D HA -0.153 4.485 4.640 -0.002 0.000 0.199 125 D C 1.711 178.092 176.300 0.135 0.000 0.984 125 D CA 1.241 55.262 54.000 0.036 0.000 0.834 125 D CB -0.136 40.629 40.800 -0.058 0.000 0.955 125 D HN 0.460 nan 8.370 nan 0.000 0.465 126 H N -1.362 117.787 119.070 0.132 0.000 2.423 126 H HA -0.023 4.532 4.556 -0.002 0.000 0.297 126 H C 2.120 177.540 175.328 0.154 0.000 1.075 126 H CA 0.905 57.045 56.048 0.154 0.000 1.342 126 H CB 0.391 30.221 29.762 0.113 0.000 1.395 126 H HN 0.047 nan 8.280 nan 0.000 0.530 127 V N 0.777 120.853 119.914 0.270 0.000 2.379 127 V HA -0.235 3.884 4.120 -0.002 0.000 0.245 127 V C 2.121 178.377 176.094 0.270 0.000 1.044 127 V CA 1.567 64.012 62.300 0.242 0.000 1.036 127 V CB -0.452 31.525 31.823 0.257 0.000 0.664 127 V HN 0.443 nan 8.190 nan 0.000 0.453 128 Q N -0.788 119.123 119.800 0.185 0.000 2.002 128 Q HA -0.238 4.100 4.340 -0.002 0.000 0.204 128 Q C 2.222 178.346 176.000 0.208 0.000 0.988 128 Q CA 2.292 58.182 55.803 0.145 0.000 0.843 128 Q CB -0.384 28.370 28.738 0.026 0.000 0.908 128 Q HN 0.584 nan 8.270 nan 0.000 0.420 129 F N 1.288 121.119 119.950 -0.198 0.000 2.065 129 F HA -0.235 4.291 4.527 -0.002 0.000 0.298 129 F C 1.834 177.527 175.800 -0.178 0.000 1.112 129 F CA 1.442 59.146 58.000 -0.493 0.000 1.212 129 F CB -0.450 38.346 39.000 -0.340 0.000 0.975 129 F HN -0.012 nan 8.300 nan 0.000 0.476 130 L N -0.427 120.744 121.223 -0.087 0.000 1.994 130 L HA -0.265 4.074 4.340 -0.002 0.000 0.208 130 L C 2.492 179.278 176.870 -0.139 0.000 1.071 130 L CA 0.936 55.666 54.840 -0.183 0.000 0.745 130 L CB -0.793 41.228 42.059 -0.063 0.000 0.892 130 L HN 0.099 nan 8.230 nan 0.000 0.431 131 I N -1.035 119.550 120.570 0.025 0.000 2.286 131 I HA -0.308 3.861 4.170 -0.002 0.000 0.248 131 I C 2.507 178.496 176.117 -0.212 0.000 1.115 131 I CA 1.487 62.811 61.300 0.040 0.000 1.392 131 I CB -1.297 36.895 38.000 0.319 0.000 1.065 131 I HN 0.260 nan 8.210 nan 0.000 0.418 132 Y N 2.285 122.311 120.300 -0.456 0.000 2.081 132 Y HA -0.318 4.231 4.550 -0.002 0.000 0.280 132 Y C 2.754 178.367 175.900 -0.478 0.000 1.163 132 Y CA 2.098 59.708 58.100 -0.817 0.000 1.135 132 Y CB -0.497 37.634 38.460 -0.549 0.000 0.970 132 Y HN 0.245 nan 8.280 nan 0.000 0.498 133 Q N -0.301 119.224 119.800 -0.458 0.000 2.124 133 Q HA -0.157 4.182 4.340 -0.002 0.000 0.202 133 Q C 2.339 178.113 176.000 -0.377 0.000 0.977 133 Q CA 1.957 57.490 55.803 -0.451 0.000 0.850 133 Q CB -0.175 28.288 28.738 -0.459 0.000 0.901 133 Q HN 0.585 nan 8.270 nan 0.000 0.429 134 I N 0.314 120.693 120.570 -0.319 0.000 2.252 134 I HA -0.266 3.902 4.170 -0.002 0.000 0.245 134 I C 2.002 177.948 176.117 -0.285 0.000 1.102 134 I CA 0.980 62.127 61.300 -0.255 0.000 1.385 134 I CB -0.147 37.738 38.000 -0.191 0.000 1.064 134 I HN 0.189 nan 8.210 nan 0.000 0.414 135 L N 0.212 121.230 121.223 -0.341 0.000 2.201 135 L HA -0.145 4.194 4.340 -0.002 0.000 0.212 135 L C 2.716 179.378 176.870 -0.347 0.000 1.105 135 L CA 0.982 55.633 54.840 -0.316 0.000 0.775 135 L CB -0.465 41.405 42.059 -0.315 0.000 0.913 135 L HN 0.213 nan 8.230 nan 0.000 0.440 136 R N 0.215 120.437 120.500 -0.464 0.000 2.062 136 R HA -0.097 4.241 4.340 -0.002 0.000 0.229 136 R C 2.275 178.389 176.300 -0.310 0.000 1.128 136 R CA 1.358 57.238 56.100 -0.367 0.000 0.960 136 R CB -0.404 29.590 30.300 -0.510 0.000 0.855 136 R HN 0.316 nan 8.270 nan 0.000 0.432 137 G N 0.970 109.539 108.800 -0.386 0.000 2.402 137 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.216 137 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.216 137 G C 1.460 176.117 174.900 -0.406 0.000 1.162 137 G CA 0.376 45.124 45.100 -0.586 0.000 0.777 137 G HN 0.219 nan 8.290 nan 0.000 0.539 138 L N 0.208 121.225 121.223 -0.344 0.000 2.083 138 L HA -0.061 4.277 4.340 -0.002 0.000 0.209 138 L C 2.879 179.483 176.870 -0.442 0.000 1.083 138 L CA 1.538 56.114 54.840 -0.440 0.000 0.752 138 L CB -0.281 41.522 42.059 -0.428 0.000 0.899 138 L HN 0.295 nan 8.230 nan 0.000 0.433 139 K N -0.467 119.784 120.400 -0.249 0.000 2.057 139 K HA -0.277 4.041 4.320 -0.002 0.000 0.207 139 K C 2.232 178.789 176.600 -0.072 0.000 1.049 139 K CA 1.722 57.947 56.287 -0.104 0.000 0.931 139 K CB -0.301 32.176 32.500 -0.038 0.000 0.714 139 K HN 0.185 nan 8.250 nan 0.000 0.440 140 Y N 1.432 121.577 120.300 -0.257 0.000 2.114 140 Y HA -0.213 4.336 4.550 -0.002 0.000 0.284 140 Y C 1.900 177.683 175.900 -0.196 0.000 1.143 140 Y CA 1.894 59.855 58.100 -0.232 0.000 1.135 140 Y CB -0.262 37.908 38.460 -0.483 0.000 0.980 140 Y HN -0.007 nan 8.280 nan 0.000 0.499 141 I N -0.135 120.315 120.570 -0.199 0.000 2.118 141 I HA -0.424 3.745 4.170 -0.002 0.000 0.241 141 I C 2.298 178.353 176.117 -0.103 0.000 1.070 141 I CA 2.144 63.306 61.300 -0.231 0.000 1.327 141 I CB -0.693 37.177 38.000 -0.218 0.000 1.034 141 I HN 0.360 nan 8.210 nan 0.000 0.405 142 H N -0.292 118.712 119.070 -0.110 0.000 2.456 142 H HA -0.121 4.434 4.556 -0.002 0.000 0.296 142 H C 2.407 177.694 175.328 -0.068 0.000 1.079 142 H CA 1.099 57.111 56.048 -0.059 0.000 1.322 142 H CB 0.033 29.783 29.762 -0.021 0.000 1.388 142 H HN 0.422 nan 8.280 nan 0.000 0.538 143 S N 0.210 115.912 115.700 0.003 0.000 2.489 143 S HA 0.071 4.539 4.470 -0.002 0.000 0.228 143 S C 1.930 176.499 174.600 -0.051 0.000 0.995 143 S CA 0.389 58.570 58.200 -0.031 0.000 0.934 143 S CB 0.296 63.457 63.200 -0.066 0.000 0.771 143 S HN 0.382 nan 8.310 nan 0.000 0.522 144 A N 1.074 123.838 122.820 -0.093 0.000 2.379 144 A HA 0.312 4.631 4.320 -0.002 0.000 0.236 144 A C 0.368 177.983 177.584 0.052 0.000 1.272 144 A CA 0.109 52.137 52.037 -0.016 0.000 0.886 144 A CB -0.357 18.607 19.000 -0.061 0.000 0.962 144 A HN 0.322 nan 8.150 nan 0.000 0.504 145 D N -0.752 119.673 120.400 0.042 0.000 2.772 145 D HA -0.154 4.484 4.640 -0.002 0.000 0.233 145 D C -0.261 176.083 176.300 0.073 0.000 1.143 145 D CA 1.110 55.145 54.000 0.059 0.000 0.700 145 D CB -1.416 39.425 40.800 0.067 0.000 1.076 145 D HN 0.576 nan 8.370 nan 0.000 0.430 146 I N 0.250 120.847 120.570 0.044 0.000 2.525 146 I HA 0.427 4.595 4.170 -0.002 0.000 0.301 146 I C 0.855 177.054 176.117 0.136 0.000 0.992 146 I CA -0.881 60.441 61.300 0.037 0.000 1.162 146 I CB 1.656 39.586 38.000 -0.117 0.000 1.332 146 I HN -0.170 nan 8.210 nan 0.000 0.458 147 I N 3.916 124.574 120.570 0.147 0.000 2.530 147 I HA 0.232 4.400 4.170 -0.002 0.000 0.297 147 I C 0.958 177.209 176.117 0.222 0.000 1.011 147 I CA -0.619 60.808 61.300 0.211 0.000 1.107 147 I CB 1.833 39.945 38.000 0.187 0.000 1.285 147 I HN 0.662 nan 8.210 nan 0.000 0.436 148 H N 5.687 124.871 119.070 0.191 0.000 2.284 148 H HA 0.017 4.572 4.556 -0.002 0.000 0.304 148 H C 1.032 176.424 175.328 0.107 0.000 1.069 148 H CA 2.092 58.238 56.048 0.163 0.000 1.327 148 H CB 0.458 30.301 29.762 0.135 0.000 1.387 148 H HN 0.645 nan 8.280 nan 0.000 0.498 149 R N -1.090 119.582 120.500 0.287 0.000 3.746 149 R HA -0.193 4.146 4.340 -0.002 0.000 0.465 149 R C -0.119 176.275 176.300 0.155 0.000 0.725 149 R CA 1.464 57.633 56.100 0.115 0.000 1.545 149 R CB -1.492 28.826 30.300 0.029 0.000 2.197 149 R HN 0.353 nan 8.270 nan 0.000 0.438 150 D N -0.040 120.586 120.400 0.378 0.000 2.837 150 D HA 0.204 4.842 4.640 -0.002 0.000 0.340 150 D C -1.158 175.168 176.300 0.044 0.000 1.451 150 D CA -0.417 53.732 54.000 0.249 0.000 0.798 150 D CB 0.441 41.409 40.800 0.281 0.000 1.169 150 D HN -0.004 nan 8.370 nan 0.000 0.449 151 L N 2.221 123.316 121.223 -0.213 0.000 2.361 151 L HA 0.372 4.710 4.340 -0.002 0.000 0.278 151 L C 0.101 176.792 176.870 -0.299 0.000 1.113 151 L CA 0.613 55.166 54.840 -0.478 0.000 0.849 151 L CB 0.046 41.858 42.059 -0.411 0.000 1.155 151 L HN 0.201 nan 8.230 nan 0.000 0.452 152 K N 3.181 123.342 120.400 -0.399 0.000 2.607 152 K HA 0.490 4.808 4.320 -0.002 0.000 0.287 152 K C -2.785 173.520 176.600 -0.492 0.000 0.996 152 K CA -1.496 54.386 56.287 -0.676 0.000 0.876 152 K CB 0.885 33.023 32.500 -0.603 0.000 1.496 152 K HN 0.014 nan 8.250 nan 0.000 0.415 153 P HA -0.213 nan 4.420 nan 0.000 0.218 153 P C 1.207 178.399 177.300 -0.180 0.000 1.148 153 P CA 1.831 64.768 63.100 -0.271 0.000 0.822 153 P CB 0.064 31.651 31.700 -0.189 0.000 0.784 154 S N -2.012 113.587 115.700 -0.169 0.000 2.515 154 S HA -0.033 4.436 4.470 -0.002 0.000 0.231 154 S C 1.468 176.007 174.600 -0.100 0.000 0.987 154 S CA 0.698 58.831 58.200 -0.111 0.000 0.936 154 S CB -0.964 62.180 63.200 -0.093 0.000 0.766 154 S HN 0.068 nan 8.310 nan 0.000 0.528 155 N N 1.065 119.692 118.700 -0.122 0.000 2.268 155 N HA 0.343 5.082 4.740 -0.002 0.000 0.204 155 N C -0.833 174.629 175.510 -0.080 0.000 1.124 155 N CA 0.122 53.124 53.050 -0.079 0.000 0.838 155 N CB 0.300 38.754 38.487 -0.054 0.000 0.994 155 N HN 0.467 nan 8.380 nan 0.000 0.489 156 L N 0.825 121.986 121.223 -0.103 0.000 2.316 156 L HA 0.552 4.890 4.340 -0.002 0.000 0.280 156 L C -0.134 176.692 176.870 -0.074 0.000 1.006 156 L CA -0.837 53.946 54.840 -0.094 0.000 0.836 156 L CB 1.707 43.690 42.059 -0.126 0.000 1.221 156 L HN -0.120 nan 8.230 nan 0.000 0.418 157 A N 4.284 127.072 122.820 -0.055 0.000 2.320 157 A HA 0.727 5.046 4.320 -0.002 0.000 0.287 157 A C -0.373 177.178 177.584 -0.055 0.000 1.181 157 A CA -0.342 51.669 52.037 -0.042 0.000 0.831 157 A CB 0.743 19.732 19.000 -0.020 0.000 1.102 157 A HN 0.426 nan 8.150 nan 0.000 0.513 158 V N 3.643 123.528 119.914 -0.049 0.000 2.735 158 V HA 0.401 4.520 4.120 -0.002 0.000 0.310 158 V C -0.263 175.814 176.094 -0.028 0.000 1.061 158 V CA -0.900 61.367 62.300 -0.054 0.000 0.913 158 V CB 1.922 33.707 31.823 -0.063 0.000 1.005 158 V HN 1.096 nan 8.190 nan 0.000 0.428 159 N N 2.477 121.166 118.700 -0.019 0.000 2.502 159 N HA 0.286 5.025 4.740 -0.002 0.000 0.280 159 N C 0.974 176.493 175.510 0.015 0.000 1.223 159 N CA -0.655 52.396 53.050 0.003 0.000 0.966 159 N CB 0.471 38.963 38.487 0.008 0.000 1.203 159 N HN 0.582 nan 8.380 nan 0.000 0.565 160 E N -0.373 119.840 120.200 0.021 0.000 2.277 160 E HA -0.285 4.063 4.350 -0.002 0.000 0.216 160 E C -0.402 176.221 176.600 0.038 0.000 1.068 160 E CA 1.911 58.326 56.400 0.025 0.000 0.866 160 E CB -0.658 29.059 29.700 0.028 0.000 0.749 160 E HN 0.703 nan 8.360 nan 0.000 0.465 161 D N -0.534 119.902 120.400 0.060 0.000 2.491 161 D HA 0.167 4.805 4.640 -0.002 0.000 0.228 161 D C -0.052 176.364 176.300 0.193 0.000 1.183 161 D CA -0.159 53.901 54.000 0.100 0.000 0.827 161 D CB -0.163 40.696 40.800 0.097 0.000 0.989 161 D HN 0.162 nan 8.370 nan 0.000 0.494 162 C N 1.111 120.494 119.300 0.138 0.000 4.326 162 C HA -0.187 4.271 4.460 -0.002 0.000 0.284 162 C C 0.709 175.744 174.990 0.076 0.000 1.419 162 C CA 0.137 59.250 59.018 0.159 0.000 1.920 162 C CB -2.178 25.739 27.740 0.295 0.000 1.306 162 C HN 0.393 nan 8.230 nan 0.000 0.786 163 E N -0.173 120.065 120.200 0.062 0.000 2.289 163 E HA 0.506 4.855 4.350 -0.002 0.000 0.278 163 E C -0.077 176.445 176.600 -0.131 0.000 1.032 163 E CA -0.010 56.351 56.400 -0.065 0.000 0.854 163 E CB 0.941 30.651 29.700 0.018 0.000 1.046 163 E HN 0.585 nan 8.360 nan 0.000 0.409 164 L N 2.892 123.991 121.223 -0.205 0.000 2.365 164 L HA 0.497 4.836 4.340 -0.002 0.000 0.273 164 L C -1.294 175.497 176.870 -0.133 0.000 1.000 164 L CA -0.639 54.097 54.840 -0.173 0.000 0.819 164 L CB 1.115 43.035 42.059 -0.232 0.000 1.284 164 L HN 0.387 nan 8.230 nan 0.000 0.418 165 K N 5.651 125.999 120.400 -0.087 0.000 2.345 165 K HA 0.541 4.859 4.320 -0.002 0.000 0.255 165 K C -1.080 175.512 176.600 -0.013 0.000 0.934 165 K CA -0.625 55.636 56.287 -0.043 0.000 0.801 165 K CB 2.494 34.983 32.500 -0.020 0.000 1.137 165 K HN 0.529 nan 8.250 nan 0.000 0.424 166 I N 4.458 125.045 120.570 0.028 0.000 2.474 166 I HA 0.218 4.386 4.170 -0.002 0.000 0.287 166 I C -0.221 176.024 176.117 0.214 0.000 1.048 166 I CA -0.458 60.902 61.300 0.100 0.000 1.383 166 I CB 0.369 38.449 38.000 0.133 0.000 1.412 166 I HN 0.295 nan 8.210 nan 0.000 0.531 167 L N 4.313 125.625 121.223 0.148 0.000 2.333 167 L HA 0.549 4.888 4.340 -0.002 0.000 0.263 167 L C -0.253 176.548 176.870 -0.114 0.000 1.014 167 L CA -0.880 53.941 54.840 -0.032 0.000 0.820 167 L CB 1.341 43.361 42.059 -0.065 0.000 1.352 167 L HN 0.509 nan 8.230 nan 0.000 0.421 168 D N 0.475 120.548 120.400 -0.544 0.000 2.800 168 D HA -0.184 4.454 4.640 -0.002 0.000 0.232 168 D C -0.433 175.400 176.300 -0.779 0.000 1.137 168 D CA 0.920 54.588 54.000 -0.552 0.000 0.718 168 D CB -1.112 39.541 40.800 -0.245 0.000 1.084 168 D HN 0.347 nan 8.370 nan 0.000 0.432 169 F N -1.103 118.519 119.950 -0.547 0.000 2.450 169 F HA 0.496 5.022 4.527 -0.002 0.000 0.339 169 F C 1.762 177.343 175.800 -0.365 0.000 1.146 169 F CA -0.580 56.953 58.000 -0.780 0.000 1.267 169 F CB 0.305 39.105 39.000 -0.334 0.000 1.178 169 F HN 0.017 nan 8.300 nan 0.000 0.585 170 G N 1.444 110.218 108.800 -0.044 0.000 2.341 170 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.292 170 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.292 170 G C -0.607 174.310 174.900 0.029 0.000 1.021 170 G CA 0.255 45.386 45.100 0.052 0.000 0.905 170 G HN 0.562 nan 8.290 nan 0.000 0.508 175 T N -0.920 113.707 114.554 0.121 0.000 2.900 175 T HA -0.005 4.343 4.350 -0.002 0.000 0.307 175 T C 0.929 175.672 174.700 0.072 0.000 1.065 175 T CA -0.272 61.872 62.100 0.073 0.000 1.105 175 T CB 0.784 69.683 68.868 0.051 0.000 0.979 175 T HN 0.406 nan 8.240 nan 0.000 0.544 176 D N 0.881 121.313 120.400 0.053 0.000 2.172 176 D HA -0.141 4.498 4.640 -0.002 0.000 0.196 176 D C 1.617 177.946 176.300 0.049 0.000 0.999 176 D CA 1.584 55.614 54.000 0.050 0.000 0.856 176 D CB -0.334 40.480 40.800 0.024 0.000 0.934 176 D HN 0.863 nan 8.370 nan 0.000 0.453 177 D N 0.396 120.817 120.400 0.035 0.000 2.144 177 D HA -0.123 4.515 4.640 -0.002 0.000 0.200 177 D C 1.622 177.932 176.300 0.017 0.000 0.978 177 D CA 0.914 54.930 54.000 0.026 0.000 0.833 177 D CB 0.031 40.843 40.800 0.020 0.000 0.961 177 D HN 0.190 nan 8.370 nan 0.000 0.470 178 E N -1.222 118.991 120.200 0.021 0.000 2.347 178 E HA -0.034 4.315 4.350 -0.002 0.000 0.196 178 E C 1.188 177.741 176.600 -0.079 0.000 1.008 178 E CA 0.395 56.787 56.400 -0.013 0.000 0.852 178 E CB 0.148 29.881 29.700 0.054 0.000 0.783 178 E HN 0.316 nan 8.360 nan 0.000 0.505 179 M N 0.355 119.937 119.600 -0.029 0.000 2.431 179 M HA 0.098 4.576 4.480 -0.002 0.000 0.237 179 M C 0.081 176.385 176.300 0.006 0.000 1.130 179 M CA 0.527 55.789 55.300 -0.063 0.000 1.002 179 M CB 0.234 32.838 32.600 0.006 0.000 1.524 179 M HN -0.203 nan 8.290 nan 0.000 0.482 180 T N 0.781 115.358 114.554 0.037 0.000 2.837 180 T HA 0.621 4.969 4.350 -0.002 0.000 0.285 180 T C 0.747 175.478 174.700 0.051 0.000 0.984 180 T CA 0.391 62.549 62.100 0.097 0.000 1.049 180 T CB 1.696 70.608 68.868 0.074 0.000 0.947 180 T HN 0.630 nan 8.240 nan 0.000 0.472 181 G N 1.913 110.775 108.800 0.103 0.000 2.542 181 G HA2 -0.240 3.718 3.960 -0.002 0.000 0.235 181 G HA3 -0.240 3.718 3.960 -0.002 0.000 0.235 181 G C -0.676 174.333 174.900 0.180 0.000 1.286 181 G CA -0.503 44.677 45.100 0.133 0.000 0.904 181 G HN 0.781 nan 8.290 nan 0.000 0.577 182 Y N 1.678 122.042 120.300 0.107 0.000 2.636 182 Y HA 0.474 5.022 4.550 -0.002 0.000 0.334 182 Y C 0.827 176.768 175.900 0.069 0.000 1.286 182 Y CA 0.046 58.296 58.100 0.251 0.000 1.688 182 Y CB -0.172 38.441 38.460 0.254 0.000 1.662 182 Y HN 1.037 nan 8.280 nan 0.000 0.465 183 V N 1.300 120.921 119.914 -0.489 0.000 2.638 183 V HA 0.709 4.828 4.120 -0.002 0.000 0.306 183 V C 0.646 175.690 176.094 -1.750 0.000 1.052 183 V CA -0.369 61.394 62.300 -0.896 0.000 0.885 183 V CB 0.993 32.544 31.823 -0.453 0.000 0.999 183 V HN 0.515 nan 8.190 nan 0.000 0.424 184 A N 3.035 124.794 122.820 -1.767 0.000 2.024 184 A HA -0.103 4.216 4.320 -0.002 0.000 0.220 184 A C 2.150 179.400 177.584 -0.557 0.000 1.164 184 A CA 2.461 53.752 52.037 -1.243 0.000 0.643 184 A CB -0.901 17.802 19.000 -0.496 0.000 0.806 184 A HN 1.599 nan 8.150 nan 0.000 0.451 185 T N -3.043 111.187 114.554 -0.540 0.000 2.946 185 T HA -0.146 4.202 4.350 -0.002 0.000 0.271 185 T C 1.691 176.175 174.700 -0.360 0.000 1.104 185 T CA 1.574 63.417 62.100 -0.429 0.000 1.114 185 T CB -0.190 68.375 68.868 -0.505 0.000 0.867 185 T HN 0.541 nan 8.240 nan 0.000 0.513 186 R N -1.631 118.620 120.500 -0.416 0.000 2.419 186 R HA 0.175 4.514 4.340 -0.002 0.000 0.235 186 R C 1.249 177.479 176.300 -0.117 0.000 0.899 186 R CA -0.244 55.688 56.100 -0.280 0.000 1.048 186 R CB 0.219 30.312 30.300 -0.346 0.000 1.182 186 R HN 0.369 nan 8.270 nan 0.000 0.544 187 W N 0.141 121.310 121.300 -0.218 0.000 2.421 187 W HA -0.088 4.571 4.660 -0.002 0.000 0.270 187 W C 0.570 176.831 176.519 -0.431 0.000 1.233 187 W CA 0.615 57.728 57.345 -0.387 0.000 1.226 187 W CB -0.470 28.613 29.460 -0.628 0.000 1.121 187 W HN 0.146 nan 8.180 nan 0.000 0.579 188 Y N -0.619 119.825 120.300 0.240 0.000 2.507 188 Y HA 0.270 4.818 4.550 -0.002 0.000 0.254 188 Y C 1.201 177.256 175.900 0.258 0.000 1.171 188 Y CA -0.467 57.777 58.100 0.240 0.000 1.238 188 Y CB -0.315 38.216 38.460 0.117 0.000 1.148 188 Y HN -0.404 nan 8.280 nan 0.000 0.525 189 R N 1.401 122.041 120.500 0.233 0.000 2.390 189 R HA 0.524 4.863 4.340 -0.002 0.000 0.291 189 R C 0.220 176.452 176.300 -0.113 0.000 1.070 189 R CA -0.327 55.806 56.100 0.055 0.000 1.014 189 R CB 0.936 31.181 30.300 -0.091 0.000 1.007 189 R HN 0.185 nan 8.270 nan 0.000 0.466 190 A N 4.915 127.566 122.820 -0.282 0.000 2.462 190 A HA 0.188 4.507 4.320 -0.002 0.000 0.243 190 A C -1.502 175.591 177.584 -0.819 0.000 1.076 190 A CA -1.201 50.346 52.037 -0.817 0.000 0.773 190 A CB 0.133 18.859 19.000 -0.457 0.000 1.010 190 A HN 0.473 nan 8.150 nan 0.000 0.493 191 P HA -0.214 nan 4.420 nan 0.000 0.216 191 P C 1.315 177.883 177.300 -1.221 0.000 1.150 191 P CA 1.621 64.096 63.100 -1.042 0.000 0.837 191 P CB 0.082 31.112 31.700 -1.117 0.000 0.786 192 E N 0.031 119.634 120.200 -0.995 0.000 2.150 192 E HA -0.162 4.187 4.350 -0.002 0.000 0.193 192 E C 2.049 178.409 176.600 -0.400 0.000 0.985 192 E CA 1.048 57.052 56.400 -0.659 0.000 0.814 192 E CB -1.187 28.441 29.700 -0.120 0.000 0.752 192 E HN 0.305 nan 8.360 nan 0.000 0.466 193 I N -0.172 120.162 120.570 -0.394 0.000 2.703 193 I HA -0.055 4.113 4.170 -0.002 0.000 0.259 193 I C 2.655 178.608 176.117 -0.272 0.000 1.151 193 I CA 0.319 61.435 61.300 -0.307 0.000 1.470 193 I CB 0.036 37.767 38.000 -0.449 0.000 1.112 193 I HN 0.055 nan 8.210 nan 0.000 0.437 194 M N 0.203 119.589 119.600 -0.357 0.000 2.175 194 M HA -0.118 4.361 4.480 -0.002 0.000 0.264 194 M C 0.977 177.186 176.300 -0.152 0.000 1.063 194 M CA 1.810 56.955 55.300 -0.258 0.000 1.119 194 M CB 0.202 32.608 32.600 -0.323 0.000 1.377 194 M HN 0.209 nan 8.290 nan 0.000 0.415 195 L N 0.232 121.266 121.223 -0.316 0.000 3.066 195 L HA 0.223 4.562 4.340 -0.002 0.000 0.265 195 L C -0.256 176.574 176.870 -0.068 0.000 1.232 195 L CA -0.486 54.249 54.840 -0.174 0.000 1.031 195 L CB 0.034 41.997 42.059 -0.161 0.000 1.379 195 L HN 0.249 nan 8.230 nan 0.000 0.563 196 N N 0.354 119.007 118.700 -0.078 0.000 2.669 196 N HA -0.242 4.497 4.740 -0.002 0.000 0.266 196 N C 0.400 176.044 175.510 0.222 0.000 1.024 196 N CA 0.609 53.700 53.050 0.069 0.000 0.766 196 N CB -0.631 37.910 38.487 0.088 0.000 0.898 196 N HN 0.461 nan 8.380 nan 0.000 0.548 197 W N -0.174 121.147 121.300 0.034 0.000 2.476 197 W HA 0.158 4.816 4.660 -0.002 0.000 0.281 197 W C 1.663 178.209 176.519 0.045 0.000 1.230 197 W CA 0.491 57.854 57.345 0.030 0.000 1.287 197 W CB -0.166 29.300 29.460 0.009 0.000 1.108 197 W HN 0.418 nan 8.180 nan 0.000 0.567 198 M N -2.730 117.050 119.600 0.300 0.000 3.084 198 M HA 0.297 4.776 4.480 -0.002 0.000 0.273 198 M C -1.014 175.405 176.300 0.197 0.000 1.242 198 M CA -1.081 54.351 55.300 0.221 0.000 0.819 198 M CB 1.850 34.578 32.600 0.213 0.000 1.625 198 M HN -0.218 nan 8.290 nan 0.000 0.493 199 H N 2.047 121.155 119.070 0.064 0.000 3.091 199 H HA 0.318 4.873 4.556 -0.002 0.000 0.289 199 H C -1.501 173.836 175.328 0.015 0.000 0.995 199 H CA 0.718 56.754 56.048 -0.020 0.000 1.461 199 H CB -0.027 29.706 29.762 -0.048 0.000 1.510 199 H HN 0.510 nan 8.280 nan 0.000 0.546 200 Y N 3.756 123.859 120.300 -0.327 0.000 2.403 200 Y HA 0.431 4.980 4.550 -0.002 0.000 0.323 200 Y C -0.470 175.236 175.900 -0.323 0.000 1.226 200 Y CA -1.292 56.668 58.100 -0.233 0.000 1.235 200 Y CB 0.791 39.166 38.460 -0.141 0.000 1.248 200 Y HN 0.787 nan 8.280 nan 0.000 0.489 201 N N -0.179 118.585 118.700 0.107 0.000 3.379 201 N HA 0.180 4.918 4.740 -0.002 0.000 0.350 201 N C 0.272 175.839 175.510 0.095 0.000 1.553 201 N CA -0.430 52.646 53.050 0.044 0.000 0.712 201 N CB 0.225 38.701 38.487 -0.018 0.000 1.880 201 N HN 0.711 nan 8.380 nan 0.000 0.648 202 Q N -1.251 118.516 119.800 -0.055 0.000 2.291 202 Q HA -0.087 4.251 4.340 -0.002 0.000 0.205 202 Q C 0.933 176.856 176.000 -0.127 0.000 0.970 202 Q CA 1.845 57.513 55.803 -0.226 0.000 0.876 202 Q CB -0.836 27.460 28.738 -0.737 0.000 0.935 202 Q HN 0.800 nan 8.270 nan 0.000 0.455 203 T N -0.259 114.279 114.554 -0.027 0.000 2.849 203 T HA -0.168 4.180 4.350 -0.002 0.000 0.270 203 T C 2.016 176.792 174.700 0.126 0.000 1.066 203 T CA 1.321 63.460 62.100 0.066 0.000 1.130 203 T CB -0.957 67.959 68.868 0.079 0.000 0.864 203 T HN 0.378 nan 8.240 nan 0.000 0.481 204 V N 0.645 120.613 119.914 0.092 0.000 2.453 204 V HA -0.217 3.902 4.120 -0.002 0.000 0.252 204 V C 2.071 178.265 176.094 0.166 0.000 1.068 204 V CA 2.220 64.566 62.300 0.077 0.000 1.070 204 V CB -0.898 30.881 31.823 -0.074 0.000 0.664 204 V HN 0.257 nan 8.190 nan 0.000 0.461 205 D N 0.489 120.998 120.400 0.182 0.000 2.144 205 D HA -0.038 4.600 4.640 -0.002 0.000 0.200 205 D C 2.182 178.599 176.300 0.195 0.000 0.978 205 D CA 1.408 55.534 54.000 0.211 0.000 0.833 205 D CB -0.141 40.859 40.800 0.335 0.000 0.961 205 D HN 0.433 nan 8.370 nan 0.000 0.470 206 I N 0.557 121.258 120.570 0.219 0.000 2.361 206 I HA -0.218 3.951 4.170 -0.002 0.000 0.251 206 I C 2.284 178.507 176.117 0.177 0.000 1.133 206 I CA 0.656 62.060 61.300 0.174 0.000 1.413 206 I CB -0.981 37.121 38.000 0.171 0.000 1.073 206 I HN 0.291 nan 8.210 nan 0.000 0.424 207 W N 2.035 123.385 121.300 0.084 0.000 2.358 207 W HA -0.197 4.461 4.660 -0.002 0.000 0.303 207 W C 2.445 179.035 176.519 0.119 0.000 1.208 207 W CA 1.730 59.135 57.345 0.100 0.000 1.274 207 W CB -0.270 29.235 29.460 0.075 0.000 1.138 207 W HN 0.106 nan 8.180 nan 0.000 0.515 208 S N 0.900 116.778 115.700 0.296 0.000 2.383 208 S HA -0.173 4.296 4.470 -0.002 0.000 0.227 208 S C 1.882 176.529 174.600 0.078 0.000 1.026 208 S CA 1.567 59.903 58.200 0.227 0.000 0.981 208 S CB -0.795 62.509 63.200 0.173 0.000 0.818 208 S HN 0.116 nan 8.310 nan 0.000 0.472 209 V N 2.055 121.986 119.914 0.028 0.000 2.332 209 V HA -0.182 3.936 4.120 -0.002 0.000 0.248 209 V C 2.666 178.730 176.094 -0.050 0.000 1.055 209 V CA 1.975 64.264 62.300 -0.019 0.000 1.038 209 V CB -1.617 30.199 31.823 -0.012 0.000 0.651 209 V HN 0.596 nan 8.190 nan 0.000 0.450 210 G N -1.283 107.452 108.800 -0.108 0.000 2.422 210 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.218 210 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.218 210 G C 1.715 176.487 174.900 -0.214 0.000 1.146 210 G CA 1.299 46.280 45.100 -0.198 0.000 0.769 210 G HN 0.542 nan 8.290 nan 0.000 0.547 211 C N 0.288 119.486 119.300 -0.171 0.000 2.453 211 C HA 0.062 4.520 4.460 -0.002 0.000 0.277 211 C C 2.848 177.876 174.990 0.062 0.000 1.262 211 C CA 0.506 59.488 59.018 -0.060 0.000 1.718 211 C CB -0.967 26.871 27.740 0.163 0.000 2.031 211 C HN 0.477 nan 8.230 nan 0.000 0.480 212 I N 0.397 121.028 120.570 0.102 0.000 2.179 212 I HA -0.288 3.881 4.170 -0.002 0.000 0.242 212 I C 2.672 178.787 176.117 -0.004 0.000 1.088 212 I CA 1.738 63.070 61.300 0.052 0.000 1.357 212 I CB -0.506 37.465 38.000 -0.049 0.000 1.051 212 I HN 0.367 nan 8.210 nan 0.000 0.409 213 M N 0.830 120.405 119.600 -0.043 0.000 2.065 213 M HA -0.263 4.215 4.480 -0.002 0.000 0.259 213 M C 2.512 178.741 176.300 -0.118 0.000 1.069 213 M CA 2.347 57.611 55.300 -0.059 0.000 1.110 213 M CB -0.194 32.361 32.600 -0.075 0.000 1.328 213 M HN 0.294 nan 8.290 nan 0.000 0.405 214 A N 0.173 122.872 122.820 -0.200 0.000 1.884 214 A HA -0.314 4.004 4.320 -0.002 0.000 0.219 214 A C 1.939 179.484 177.584 -0.065 0.000 1.197 214 A CA 2.417 54.312 52.037 -0.238 0.000 0.637 214 A CB -1.200 17.669 19.000 -0.218 0.000 0.827 214 A HN 0.758 nan 8.150 nan 0.000 0.450 215 E N -0.331 119.851 120.200 -0.031 0.000 2.153 215 E HA -0.137 4.212 4.350 -0.002 0.000 0.194 215 E C 1.904 178.518 176.600 0.023 0.000 0.988 215 E CA 0.956 57.363 56.400 0.012 0.000 0.811 215 E CB -0.204 29.538 29.700 0.070 0.000 0.746 215 E HN 0.658 nan 8.360 nan 0.000 0.466 216 L N 0.350 121.584 121.223 0.019 0.000 2.093 216 L HA -0.152 4.186 4.340 -0.002 0.000 0.208 216 L C 2.451 179.349 176.870 0.045 0.000 1.085 216 L CA 0.696 55.558 54.840 0.036 0.000 0.755 216 L CB -0.307 41.780 42.059 0.047 0.000 0.904 216 L HN 0.266 nan 8.230 nan 0.000 0.435 217 L N -0.564 120.673 121.223 0.023 0.000 2.131 217 L HA -0.120 4.218 4.340 -0.002 0.000 0.206 217 L C 2.598 179.501 176.870 0.055 0.000 1.087 217 L CA 1.747 56.606 54.840 0.032 0.000 0.767 217 L CB -0.490 41.553 42.059 -0.028 0.000 0.917 217 L HN 0.406 nan 8.230 nan 0.000 0.441 218 T N -5.045 109.544 114.554 0.059 0.000 3.014 218 T HA 0.237 4.586 4.350 -0.002 0.000 0.250 218 T C 1.515 176.232 174.700 0.027 0.000 1.060 218 T CA 0.497 62.630 62.100 0.055 0.000 1.040 218 T CB 0.742 69.645 68.868 0.059 0.000 0.971 218 T HN 0.380 nan 8.240 nan 0.000 0.497 219 G N 1.968 110.784 108.800 0.027 0.000 2.184 219 G HA2 -0.216 3.742 3.960 -0.002 0.000 0.264 219 G HA3 -0.216 3.742 3.960 -0.002 0.000 0.264 219 G C 0.063 174.967 174.900 0.006 0.000 0.975 219 G CA -0.016 45.097 45.100 0.021 0.000 0.642 219 G HN 0.670 nan 8.290 nan 0.000 0.536 220 R N 0.344 120.836 120.500 -0.014 0.000 2.740 220 R HA 0.541 4.879 4.340 -0.002 0.000 0.282 220 R C 0.023 176.271 176.300 -0.088 0.000 0.969 220 R CA -0.427 55.641 56.100 -0.053 0.000 0.918 220 R CB 0.704 30.955 30.300 -0.082 0.000 1.175 220 R HN 0.150 nan 8.270 nan 0.000 0.464 221 T N 2.816 117.287 114.554 -0.139 0.000 2.905 221 T HA -0.046 4.303 4.350 -0.002 0.000 0.299 221 T C 1.566 176.074 174.700 -0.320 0.000 1.024 221 T CA -0.072 61.884 62.100 -0.239 0.000 1.151 221 T CB 0.419 68.990 68.868 -0.495 0.000 0.987 221 T HN 0.370 nan 8.240 nan 0.000 0.535 222 L N 2.666 123.667 121.223 -0.370 0.000 2.072 222 L HA 0.271 4.609 4.340 -0.002 0.000 0.205 222 L C 0.219 176.634 176.870 -0.759 0.000 1.079 222 L CA 1.636 56.119 54.840 -0.595 0.000 0.752 222 L CB -0.120 41.496 42.059 -0.739 0.000 0.906 222 L HN 0.633 nan 8.230 nan 0.000 0.436 223 F N 1.234 121.034 119.950 -0.250 0.000 2.622 223 F HA 0.400 4.926 4.527 -0.002 0.000 0.338 223 F C -2.132 173.374 175.800 -0.489 0.000 1.334 223 F CA -2.355 55.505 58.000 -0.234 0.000 1.179 223 F CB 0.356 39.320 39.000 -0.061 0.000 1.471 223 F HN -0.003 nan 8.300 nan 0.000 0.576 224 P HA 0.144 nan 4.420 nan 0.000 0.225 224 P C 0.610 177.659 177.300 -0.419 0.000 1.813 224 P CA 0.238 62.559 63.100 -1.300 0.000 1.013 224 P CB 0.339 31.409 31.700 -1.049 0.000 1.961 225 G N 1.462 110.200 108.800 -0.104 0.000 2.491 225 G HA2 0.166 4.124 3.960 -0.002 0.000 0.238 225 G HA3 0.166 4.124 3.960 -0.002 0.000 0.238 225 G C 1.142 176.283 174.900 0.403 0.000 1.277 225 G CA -0.136 45.070 45.100 0.176 0.000 0.851 225 G HN 0.343 nan 8.290 nan 0.000 0.573 226 T N -1.972 112.781 114.554 0.333 0.000 3.081 226 T HA 0.224 4.572 4.350 -0.002 0.000 0.255 226 T C 0.349 175.207 174.700 0.264 0.000 1.113 226 T CA 0.780 63.102 62.100 0.370 0.000 1.082 226 T CB -0.217 68.760 68.868 0.182 0.000 0.939 226 T HN 0.775 nan 8.240 nan 0.000 0.506 227 D N -1.538 118.990 120.400 0.213 0.000 2.738 227 D HA 0.227 4.865 4.640 -0.002 0.000 0.308 227 D C 0.049 176.453 176.300 0.174 0.000 1.311 227 D CA -0.840 53.277 54.000 0.195 0.000 0.799 227 D CB 0.124 41.025 40.800 0.168 0.000 1.332 227 D HN -0.098 nan 8.370 nan 0.000 0.441 228 H N -0.451 118.634 119.070 0.025 0.000 2.319 228 H HA -0.007 4.547 4.556 -0.002 0.000 0.299 228 H C 1.627 176.955 175.328 -0.000 0.000 1.092 228 H CA 1.718 57.760 56.048 -0.009 0.000 1.302 228 H CB -0.135 29.599 29.762 -0.048 0.000 1.373 228 H HN 0.318 nan 8.280 nan 0.000 0.497 229 I N 0.442 121.098 120.570 0.144 0.000 2.202 229 I HA -0.197 3.971 4.170 -0.002 0.000 0.242 229 I C 2.153 178.340 176.117 0.117 0.000 1.091 229 I CA 1.390 62.754 61.300 0.107 0.000 1.368 229 I CB -1.041 36.994 38.000 0.058 0.000 1.058 229 I HN 0.260 nan 8.210 nan 0.000 0.410 230 D N 0.624 121.089 120.400 0.108 0.000 2.116 230 D HA -0.284 4.355 4.640 -0.002 0.000 0.193 230 D C 2.270 178.623 176.300 0.087 0.000 0.998 230 D CA 1.629 55.688 54.000 0.099 0.000 0.836 230 D CB -0.060 40.804 40.800 0.107 0.000 0.951 230 D HN 0.320 nan 8.370 nan 0.000 0.449 231 Q N -0.877 118.973 119.800 0.083 0.000 2.124 231 Q HA -0.159 4.180 4.340 -0.002 0.000 0.202 231 Q C 2.186 178.166 176.000 -0.033 0.000 0.977 231 Q CA 0.975 56.802 55.803 0.041 0.000 0.850 231 Q CB -0.194 28.568 28.738 0.040 0.000 0.901 231 Q HN 0.371 nan 8.270 nan 0.000 0.429 232 L N 1.034 122.260 121.223 0.004 0.000 2.017 232 L HA -0.191 4.147 4.340 -0.002 0.000 0.208 232 L C 1.841 178.726 176.870 0.024 0.000 1.073 232 L CA 1.920 56.761 54.840 0.003 0.000 0.745 232 L CB -0.290 41.842 42.059 0.121 0.000 0.894 232 L HN 0.050 nan 8.230 nan 0.000 0.432 233 K N -0.650 119.791 120.400 0.068 0.000 2.057 233 K HA -0.151 4.168 4.320 -0.002 0.000 0.207 233 K C 2.096 178.731 176.600 0.058 0.000 1.049 233 K CA 1.685 58.014 56.287 0.070 0.000 0.931 233 K CB -0.388 32.160 32.500 0.080 0.000 0.714 233 K HN 0.344 nan 8.250 nan 0.000 0.440 234 L N 0.823 122.082 121.223 0.060 0.000 2.012 234 L HA -0.228 4.110 4.340 -0.002 0.000 0.210 234 L C 2.419 179.369 176.870 0.134 0.000 1.073 234 L CA 1.326 56.248 54.840 0.136 0.000 0.748 234 L CB -0.514 41.675 42.059 0.217 0.000 0.891 234 L HN 0.192 nan 8.230 nan 0.000 0.431 235 I N -0.277 120.159 120.570 -0.223 0.000 2.142 235 I HA -0.329 3.840 4.170 -0.002 0.000 0.240 235 I C 2.446 178.567 176.117 0.008 0.000 1.078 235 I CA 1.425 62.443 61.300 -0.470 0.000 1.343 235 I CB -0.243 37.396 38.000 -0.601 0.000 1.046 235 I HN 0.207 nan 8.210 nan 0.000 0.405 236 L N 0.044 121.288 121.223 0.035 0.000 2.131 236 L HA -0.194 4.144 4.340 -0.002 0.000 0.210 236 L C 2.726 179.664 176.870 0.113 0.000 1.092 236 L CA 1.067 55.965 54.840 0.096 0.000 0.759 236 L CB -0.641 41.468 42.059 0.084 0.000 0.903 236 L HN 0.254 nan 8.230 nan 0.000 0.435 237 R N 0.423 120.985 120.500 0.104 0.000 2.083 237 R HA -0.224 4.114 4.340 -0.002 0.000 0.237 237 R C 2.334 178.707 176.300 0.122 0.000 1.137 237 R CA 1.699 57.856 56.100 0.095 0.000 0.951 237 R CB -0.221 30.127 30.300 0.079 0.000 0.851 237 R HN 0.193 nan 8.270 nan 0.000 0.434 238 L N 0.321 121.651 121.223 0.178 0.000 2.044 238 L HA -0.084 4.254 4.340 -0.002 0.000 0.205 238 L C 2.032 179.081 176.870 0.299 0.000 1.075 238 L CA 1.646 56.603 54.840 0.196 0.000 0.747 238 L CB -0.090 42.122 42.059 0.254 0.000 0.903 238 L HN 0.203 nan 8.230 nan 0.000 0.435 239 V N -2.619 117.494 119.914 0.332 0.000 3.650 239 V HA 0.575 4.693 4.120 -0.002 0.000 0.271 239 V C 0.904 177.145 176.094 0.245 0.000 1.281 239 V CA 0.132 62.653 62.300 0.368 0.000 1.120 239 V CB -1.078 31.017 31.823 0.453 0.000 0.856 239 V HN 0.648 nan 8.190 nan 0.000 0.443 240 G N 1.161 110.073 108.800 0.187 0.000 2.705 240 G HA2 -0.047 3.911 3.960 -0.002 0.000 0.686 240 G HA3 -0.047 3.911 3.960 -0.002 0.000 0.686 240 G C -0.240 174.725 174.900 0.109 0.000 1.285 240 G CA -0.301 44.875 45.100 0.128 0.000 0.800 240 G HN 1.335 nan 8.290 nan 0.000 0.611 241 T N 0.576 115.170 114.554 0.068 0.000 2.900 241 T HA 0.576 4.924 4.350 -0.002 0.000 0.307 241 T C -1.854 172.864 174.700 0.029 0.000 1.065 241 T CA -0.529 61.595 62.100 0.040 0.000 1.105 241 T CB 1.145 70.016 68.868 0.003 0.000 0.979 241 T HN 0.608 nan 8.240 nan 0.000 0.544 242 P HA 0.333 nan 4.420 nan 0.000 0.271 242 P C 0.563 177.842 177.300 -0.035 0.000 1.216 242 P CA -0.215 62.869 63.100 -0.026 0.000 0.776 242 P CB 0.230 31.858 31.700 -0.121 0.000 0.881 243 G N 0.725 109.515 108.800 -0.017 0.000 2.543 243 G HA2 0.378 4.337 3.960 -0.002 0.000 0.290 243 G HA3 0.378 4.337 3.960 -0.002 0.000 0.290 243 G C 1.094 175.973 174.900 -0.035 0.000 1.310 243 G CA -0.081 45.008 45.100 -0.018 0.000 1.025 243 G HN 0.458 nan 8.290 nan 0.000 0.502 244 A N -1.050 121.753 122.820 -0.028 0.000 1.908 244 A HA -0.076 4.242 4.320 -0.002 0.000 0.218 244 A C 2.049 179.613 177.584 -0.033 0.000 1.181 244 A CA 2.140 54.157 52.037 -0.034 0.000 0.627 244 A CB -0.571 18.415 19.000 -0.024 0.000 0.818 244 A HN 0.754 nan 8.150 nan 0.000 0.445 245 E N -0.851 119.337 120.200 -0.019 0.000 2.110 245 E HA -0.187 4.161 4.350 -0.002 0.000 0.193 245 E C 1.849 178.439 176.600 -0.017 0.000 0.988 245 E CA 1.298 57.691 56.400 -0.011 0.000 0.804 245 E CB -0.120 29.582 29.700 0.003 0.000 0.745 245 E HN 0.471 nan 8.360 nan 0.000 0.458 246 L N 0.732 121.940 121.223 -0.025 0.000 2.131 246 L HA -0.041 4.298 4.340 -0.002 0.000 0.206 246 L C 2.038 178.850 176.870 -0.096 0.000 1.087 246 L CA 1.197 56.015 54.840 -0.037 0.000 0.767 246 L CB -0.403 41.641 42.059 -0.026 0.000 0.917 246 L HN 0.176 nan 8.230 nan 0.000 0.441 247 L N -0.426 120.724 121.223 -0.121 0.000 2.081 247 L HA -0.295 4.044 4.340 -0.002 0.000 0.212 247 L C 2.537 179.337 176.870 -0.115 0.000 1.080 247 L CA 1.594 56.340 54.840 -0.158 0.000 0.754 247 L CB -0.570 41.412 42.059 -0.129 0.000 0.893 247 L HN 0.269 nan 8.230 nan 0.000 0.433 248 K N 0.008 120.366 120.400 -0.069 0.000 2.209 248 K HA -0.163 4.156 4.320 -0.002 0.000 0.204 248 K C 1.940 178.521 176.600 -0.032 0.000 1.048 248 K CA 1.169 57.429 56.287 -0.044 0.000 0.940 248 K CB 0.035 32.519 32.500 -0.026 0.000 0.729 248 K HN 0.326 nan 8.250 nan 0.000 0.451 249 K N 0.376 120.759 120.400 -0.029 0.000 2.361 249 K HA 0.097 4.416 4.320 -0.002 0.000 0.196 249 K C 0.409 177.015 176.600 0.011 0.000 1.039 249 K CA 0.264 56.555 56.287 0.007 0.000 1.001 249 K CB 0.292 32.811 32.500 0.032 0.000 0.795 249 K HN 0.071 nan 8.250 nan 0.000 0.495 250 I N 2.889 123.423 120.570 -0.060 0.000 2.357 250 I HA -0.064 4.104 4.170 -0.002 0.000 0.300 250 I C 1.078 177.173 176.117 -0.036 0.000 1.159 250 I CA -0.073 61.176 61.300 -0.085 0.000 1.339 250 I CB 0.466 38.252 38.000 -0.358 0.000 1.458 250 I HN 0.131 nan 8.210 nan 0.000 0.577 251 S N 2.027 117.745 115.700 0.031 0.000 2.607 251 S HA -0.045 4.423 4.470 -0.002 0.000 0.224 251 S C 0.997 175.619 174.600 0.038 0.000 0.969 251 S CA -0.362 57.855 58.200 0.030 0.000 0.927 251 S CB -0.001 63.226 63.200 0.044 0.000 0.772 251 S HN 0.578 nan 8.310 nan 0.000 0.533 252 S N 1.827 117.560 115.700 0.056 0.000 2.405 252 S HA 0.162 4.631 4.470 -0.002 0.000 0.291 252 S C 1.129 175.743 174.600 0.023 0.000 1.137 252 S CA -0.677 57.560 58.200 0.062 0.000 1.061 252 S CB 0.308 63.581 63.200 0.121 0.000 1.001 252 S HN 0.454 nan 8.310 nan 0.000 0.507 253 E N 3.408 123.618 120.200 0.017 0.000 2.106 253 E HA -0.112 4.236 4.350 -0.002 0.000 0.192 253 E C 1.899 178.506 176.600 0.012 0.000 0.984 253 E CA 0.977 57.378 56.400 0.001 0.000 0.806 253 E CB -0.360 29.342 29.700 0.003 0.000 0.750 253 E HN 0.701 nan 8.360 nan 0.000 0.458 254 S N 0.834 116.553 115.700 0.033 0.000 2.356 254 S HA -0.145 4.323 4.470 -0.002 0.000 0.223 254 S C 2.153 176.803 174.600 0.082 0.000 1.032 254 S CA 1.305 59.535 58.200 0.051 0.000 1.005 254 S CB -0.108 63.122 63.200 0.050 0.000 0.867 254 S HN 0.358 nan 8.310 nan 0.000 0.449 255 A N 1.660 124.537 122.820 0.095 0.000 1.897 255 A HA 0.030 4.348 4.320 -0.002 0.000 0.215 255 A C 2.208 179.803 177.584 0.018 0.000 1.181 255 A CA 1.365 53.490 52.037 0.147 0.000 0.620 255 A CB -0.713 18.440 19.000 0.256 0.000 0.821 255 A HN 0.604 nan 8.150 nan 0.000 0.443 256 R N 0.125 120.575 120.500 -0.083 0.000 2.091 256 R HA -0.231 4.108 4.340 -0.002 0.000 0.238 256 R C 2.096 178.337 176.300 -0.098 0.000 1.136 256 R CA 2.055 58.055 56.100 -0.166 0.000 0.959 256 R CB -0.448 29.768 30.300 -0.140 0.000 0.856 256 R HN 0.648 nan 8.270 nan 0.000 0.437 257 N N -0.343 118.340 118.700 -0.029 0.000 2.084 257 N HA -0.261 4.478 4.740 -0.002 0.000 0.190 257 N C 1.797 177.313 175.510 0.010 0.000 1.030 257 N CA 1.651 54.696 53.050 -0.008 0.000 0.849 257 N CB -0.443 38.055 38.487 0.019 0.000 1.012 257 N HN 0.324 nan 8.380 nan 0.000 0.423 258 Y N 0.868 121.156 120.300 -0.020 0.000 2.097 258 Y HA -0.156 4.393 4.550 -0.002 0.000 0.282 258 Y C 2.070 177.966 175.900 -0.007 0.000 1.152 258 Y CA 1.549 59.650 58.100 0.002 0.000 1.136 258 Y CB -0.465 38.017 38.460 0.036 0.000 0.975 258 Y HN 0.109 nan 8.280 nan 0.000 0.498 259 I N 0.788 121.249 120.570 -0.182 0.000 2.145 259 I HA -0.395 3.773 4.170 -0.002 0.000 0.244 259 I C 2.218 178.171 176.117 -0.273 0.000 1.075 259 I CA 1.944 63.091 61.300 -0.255 0.000 1.332 259 I CB -1.328 36.531 38.000 -0.236 0.000 1.033 259 I HN 0.471 nan 8.210 nan 0.000 0.410 260 Q N 0.004 119.681 119.800 -0.205 0.000 2.437 260 Q HA -0.128 4.211 4.340 -0.002 0.000 0.210 260 Q C 1.987 177.894 176.000 -0.156 0.000 0.972 260 Q CA 1.402 57.112 55.803 -0.155 0.000 0.903 260 Q CB -0.072 28.599 28.738 -0.112 0.000 0.967 260 Q HN 0.599 nan 8.270 nan 0.000 0.486 261 S N -0.720 114.845 115.700 -0.225 0.000 2.603 261 S HA 0.092 4.561 4.470 -0.002 0.000 0.220 261 S C 0.570 175.056 174.600 -0.190 0.000 0.967 261 S CA -0.204 57.882 58.200 -0.189 0.000 0.920 261 S CB 0.017 63.105 63.200 -0.187 0.000 0.773 261 S HN 0.136 nan 8.310 nan 0.000 0.529 262 L N 2.170 123.262 121.223 -0.219 0.000 2.343 262 L HA 0.399 4.738 4.340 -0.002 0.000 0.275 262 L C 0.135 176.951 176.870 -0.089 0.000 1.056 262 L CA -0.796 53.951 54.840 -0.154 0.000 0.804 262 L CB 1.024 42.983 42.059 -0.166 0.000 1.203 262 L HN -0.018 nan 8.230 nan 0.000 0.440 263 T N 1.870 116.392 114.554 -0.054 0.000 2.902 263 T HA 0.044 4.392 4.350 -0.002 0.000 0.301 263 T C 0.136 174.821 174.700 -0.026 0.000 1.012 263 T CA -0.322 61.758 62.100 -0.033 0.000 1.151 263 T CB 0.194 69.051 68.868 -0.017 0.000 0.946 263 T HN 0.465 nan 8.240 nan 0.000 0.542 264 Q N 2.552 122.338 119.800 -0.022 0.000 2.361 264 Q HA 0.334 4.673 4.340 -0.002 0.000 0.276 264 Q C -0.282 175.720 176.000 0.004 0.000 1.022 264 Q CA 0.405 56.201 55.803 -0.012 0.000 0.898 264 Q CB 0.474 29.204 28.738 -0.013 0.000 1.246 264 Q HN 0.579 nan 8.270 nan 0.000 0.410 265 M N 3.292 122.902 119.600 0.017 0.000 2.457 265 M HA 0.440 4.919 4.480 -0.002 0.000 0.300 265 M C -2.380 173.947 176.300 0.045 0.000 1.141 265 M CA -2.128 53.191 55.300 0.031 0.000 0.901 265 M CB 2.440 35.063 32.600 0.039 0.000 1.687 265 M HN 0.429 nan 8.290 nan 0.000 0.449 266 P HA 0.157 nan 4.420 nan 0.000 0.276 266 P C -1.328 176.026 177.300 0.090 0.000 1.252 266 P CA -0.497 62.639 63.100 0.060 0.000 0.802 266 P CB 0.774 32.504 31.700 0.050 0.000 1.035 267 K N 2.065 122.530 120.400 0.108 0.000 2.412 267 K HA 0.131 4.450 4.320 -0.002 0.000 0.281 267 K C 0.276 176.978 176.600 0.171 0.000 1.027 267 K CA -0.030 56.355 56.287 0.165 0.000 0.989 267 K CB 0.040 32.627 32.500 0.146 0.000 0.935 267 K HN 0.411 nan 8.250 nan 0.000 0.475 268 M N 2.725 122.458 119.600 0.221 0.000 2.202 268 M HA 0.024 4.503 4.480 -0.002 0.000 0.316 268 M C 0.594 177.059 176.300 0.275 0.000 1.138 268 M CA -0.410 54.999 55.300 0.181 0.000 1.151 268 M CB 0.420 33.084 32.600 0.107 0.000 1.422 268 M HN 0.576 nan 8.290 nan 0.000 0.471 269 N N 1.015 119.826 118.700 0.185 0.000 2.405 269 N HA 0.033 4.772 4.740 -0.002 0.000 0.260 269 N C -0.022 175.664 175.510 0.293 0.000 1.152 269 N CA 0.228 53.403 53.050 0.208 0.000 0.948 269 N CB 0.281 38.833 38.487 0.109 0.000 1.111 269 N HN 0.431 nan 8.380 nan 0.000 0.485 270 F N 2.444 122.439 119.950 0.075 0.000 2.293 270 F HA -0.007 4.519 4.527 -0.002 0.000 0.300 270 F C 2.232 178.129 175.800 0.162 0.000 1.086 270 F CA 0.786 58.884 58.000 0.163 0.000 1.375 270 F CB -0.800 38.331 39.000 0.219 0.000 1.045 270 F HN 0.682 nan 8.300 nan 0.000 0.516 271 A N -0.092 122.889 122.820 0.269 0.000 2.015 271 A HA -0.159 4.159 4.320 -0.002 0.000 0.219 271 A C 1.963 179.598 177.584 0.085 0.000 1.163 271 A CA 1.666 53.798 52.037 0.159 0.000 0.646 271 A CB -0.531 18.532 19.000 0.105 0.000 0.806 271 A HN 0.310 nan 8.150 nan 0.000 0.448 272 N N -0.580 118.149 118.700 0.049 0.000 2.373 272 N HA 0.042 4.780 4.740 -0.002 0.000 0.181 272 N C 1.351 176.794 175.510 -0.112 0.000 1.082 272 N CA 0.898 53.936 53.050 -0.019 0.000 0.885 272 N CB 0.351 38.831 38.487 -0.013 0.000 0.977 272 N HN 0.298 nan 8.380 nan 0.000 0.462 273 V N -0.280 119.513 119.914 -0.203 0.000 2.500 273 V HA 0.072 4.190 4.120 -0.002 0.000 0.243 273 V C 0.268 175.946 176.094 -0.694 0.000 1.039 273 V CA 0.932 62.912 62.300 -0.534 0.000 1.053 273 V CB -0.250 31.059 31.823 -0.858 0.000 0.695 273 V HN 0.025 nan 8.190 nan 0.000 0.463 274 F N 1.162 121.054 119.950 -0.096 0.000 2.508 274 F HA 0.439 4.964 4.527 -0.002 0.000 0.329 274 F C 0.327 176.102 175.800 -0.042 0.000 1.198 274 F CA -0.738 57.214 58.000 -0.082 0.000 1.268 274 F CB -0.225 38.724 39.000 -0.086 0.000 1.584 274 F HN -0.072 nan 8.300 nan 0.000 0.570 275 I N 1.731 122.320 120.570 0.032 0.000 2.598 275 I HA 0.121 4.289 4.170 -0.002 0.000 0.284 275 I C 1.382 177.526 176.117 0.045 0.000 1.140 275 I CA 0.801 62.117 61.300 0.028 0.000 1.420 275 I CB 0.034 38.028 38.000 -0.010 0.000 1.387 275 I HN 0.769 nan 8.210 nan 0.000 0.553 276 G N 5.021 113.849 108.800 0.047 0.000 2.284 276 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.230 276 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.230 276 G C 0.621 175.552 174.900 0.051 0.000 1.021 276 G CA 0.061 45.187 45.100 0.042 0.000 0.619 276 G HN 0.987 nan 8.290 nan 0.000 0.510 277 A N 0.571 123.432 122.820 0.069 0.000 2.561 277 A HA 0.415 4.734 4.320 -0.002 0.000 0.234 277 A C 0.827 178.431 177.584 0.033 0.000 1.055 277 A CA 0.811 52.879 52.037 0.051 0.000 0.756 277 A CB 0.043 19.073 19.000 0.051 0.000 0.986 277 A HN 1.153 nan 8.150 nan 0.000 0.505 278 N N 2.167 120.884 118.700 0.030 0.000 2.292 278 N HA -0.004 4.735 4.740 -0.002 0.000 0.258 278 N C -1.756 173.747 175.510 -0.011 0.000 1.261 278 N CA -1.177 51.896 53.050 0.039 0.000 0.845 278 N CB 0.694 39.254 38.487 0.121 0.000 1.064 278 N HN 0.215 nan 8.380 nan 0.000 0.471 279 P HA -0.056 nan 4.420 nan 0.000 0.220 279 P C 1.415 178.702 177.300 -0.022 0.000 1.148 279 P CA 0.960 64.061 63.100 0.001 0.000 0.803 279 P CB 0.263 31.974 31.700 0.017 0.000 0.782 280 L N -1.359 119.861 121.223 -0.005 0.000 2.141 280 L HA -0.115 4.224 4.340 -0.002 0.000 0.209 280 L C 2.395 179.125 176.870 -0.232 0.000 1.094 280 L CA 1.356 56.215 54.840 0.032 0.000 0.763 280 L CB -1.004 41.158 42.059 0.172 0.000 0.908 280 L HN -0.030 nan 8.230 nan 0.000 0.437 281 A N -0.230 122.274 122.820 -0.526 0.000 1.872 281 A HA -0.110 4.209 4.320 -0.002 0.000 0.214 281 A C 2.334 179.630 177.584 -0.479 0.000 1.187 281 A CA 1.346 52.836 52.037 -0.911 0.000 0.614 281 A CB -0.729 17.766 19.000 -0.842 0.000 0.826 281 A HN 0.137 nan 8.150 nan 0.000 0.442 282 V N 0.746 120.507 119.914 -0.254 0.000 2.252 282 V HA -0.345 3.774 4.120 -0.002 0.000 0.249 282 V C 2.369 178.402 176.094 -0.102 0.000 1.056 282 V CA 2.700 64.939 62.300 -0.102 0.000 1.022 282 V CB -0.960 30.889 31.823 0.043 0.000 0.641 282 V HN 0.745 nan 8.190 nan 0.000 0.445 283 D N -0.438 119.906 120.400 -0.093 0.000 2.133 283 D HA -0.227 4.411 4.640 -0.002 0.000 0.192 283 D C 1.943 178.158 176.300 -0.141 0.000 1.001 283 D CA 1.669 55.635 54.000 -0.057 0.000 0.844 283 D CB -0.201 40.648 40.800 0.082 0.000 0.944 283 D HN 0.275 nan 8.370 nan 0.000 0.447 284 L N 0.130 121.152 121.223 -0.335 0.000 2.046 284 L HA -0.038 4.300 4.340 -0.002 0.000 0.208 284 L C 2.110 178.809 176.870 -0.285 0.000 1.077 284 L CA 1.426 55.960 54.840 -0.511 0.000 0.747 284 L CB -0.605 40.965 42.059 -0.815 0.000 0.896 284 L HN 0.225 nan 8.230 nan 0.000 0.432 285 L N -0.626 120.442 121.223 -0.257 0.000 2.079 285 L HA -0.227 4.111 4.340 -0.002 0.000 0.210 285 L C 2.475 179.331 176.870 -0.024 0.000 1.081 285 L CA 1.548 56.305 54.840 -0.138 0.000 0.752 285 L CB -0.608 41.334 42.059 -0.195 0.000 0.896 285 L HN 0.375 nan 8.230 nan 0.000 0.433 286 E N -0.011 120.072 120.200 -0.194 0.000 2.204 286 E HA -0.200 4.148 4.350 -0.002 0.000 0.194 286 E C 1.997 178.477 176.600 -0.200 0.000 0.989 286 E CA 0.830 56.952 56.400 -0.464 0.000 0.824 286 E CB -0.017 29.307 29.700 -0.627 0.000 0.756 286 E HN 0.483 nan 8.360 nan 0.000 0.477 287 K N 0.048 120.374 120.400 -0.123 0.000 2.305 287 K HA 0.068 4.387 4.320 -0.002 0.000 0.199 287 K C 1.985 178.584 176.600 -0.002 0.000 1.047 287 K CA 0.677 56.935 56.287 -0.047 0.000 0.976 287 K CB 0.136 32.619 32.500 -0.030 0.000 0.765 287 K HN 0.109 nan 8.250 nan 0.000 0.474 288 M N 0.185 119.771 119.600 -0.023 0.000 2.357 288 M HA 0.020 4.499 4.480 -0.002 0.000 0.266 288 M C 0.828 177.150 176.300 0.037 0.000 1.095 288 M CA 0.925 56.230 55.300 0.009 0.000 1.156 288 M CB 0.284 32.856 32.600 -0.047 0.000 1.365 288 M HN -0.025 nan 8.290 nan 0.000 0.447 289 L N 1.535 122.756 121.223 -0.003 0.000 2.934 289 L HA 0.216 4.554 4.340 -0.002 0.000 0.233 289 L C -0.746 176.296 176.870 0.288 0.000 1.358 289 L CA -0.607 54.206 54.840 -0.045 0.000 1.233 289 L CB -0.319 41.717 42.059 -0.038 0.000 1.594 289 L HN -0.053 nan 8.230 nan 0.000 0.439 290 V N 0.680 120.808 119.914 0.357 0.000 2.472 290 V HA 0.093 4.212 4.120 -0.002 0.000 0.290 290 V C 0.942 177.295 176.094 0.431 0.000 1.037 290 V CA -0.479 62.015 62.300 0.323 0.000 0.908 290 V CB 2.451 34.389 31.823 0.190 0.000 0.985 290 V HN 0.341 nan 8.190 nan 0.000 0.454 291 L N 2.646 124.075 121.223 0.344 0.000 2.072 291 L HA 0.093 4.432 4.340 -0.002 0.000 0.205 291 L C 1.264 178.252 176.870 0.197 0.000 1.079 291 L CA 1.547 56.542 54.840 0.258 0.000 0.752 291 L CB -0.226 41.973 42.059 0.232 0.000 0.906 291 L HN 0.745 nan 8.230 nan 0.000 0.436 292 D N -0.989 119.516 120.400 0.176 0.000 2.342 292 D HA -0.022 4.617 4.640 -0.002 0.000 0.260 292 D C 1.495 177.882 176.300 0.144 0.000 1.278 292 D CA 0.730 54.816 54.000 0.142 0.000 0.910 292 D CB 1.143 42.006 40.800 0.105 0.000 1.079 292 D HN 0.364 nan 8.370 nan 0.000 0.496 293 S N 3.118 118.901 115.700 0.138 0.000 2.400 293 S HA -0.223 4.245 4.470 -0.002 0.000 0.232 293 S C 1.292 175.959 174.600 0.112 0.000 1.025 293 S CA 0.999 59.276 58.200 0.130 0.000 0.993 293 S CB -0.015 63.249 63.200 0.107 0.000 0.808 293 S HN 0.411 nan 8.310 nan 0.000 0.478 294 D N 1.819 122.277 120.400 0.097 0.000 2.190 294 D HA -0.058 4.581 4.640 -0.002 0.000 0.200 294 D C 1.638 177.985 176.300 0.078 0.000 0.992 294 D CA 1.208 55.255 54.000 0.079 0.000 0.854 294 D CB -0.174 40.668 40.800 0.069 0.000 0.936 294 D HN 0.625 nan 8.370 nan 0.000 0.462 295 K N -0.218 120.235 120.400 0.089 0.000 2.358 295 K HA 0.173 4.491 4.320 -0.002 0.000 0.197 295 K C 0.376 177.032 176.600 0.093 0.000 1.025 295 K CA -0.235 56.102 56.287 0.082 0.000 1.104 295 K CB 0.855 33.400 32.500 0.076 0.000 0.855 295 K HN -0.002 nan 8.250 nan 0.000 0.531 296 R N 1.237 121.806 120.500 0.114 0.000 2.594 296 R HA 0.173 4.512 4.340 -0.002 0.000 0.272 296 R C 0.361 176.720 176.300 0.098 0.000 1.074 296 R CA -0.309 55.864 56.100 0.122 0.000 1.105 296 R CB 0.618 31.017 30.300 0.164 0.000 1.008 296 R HN 0.093 nan 8.270 nan 0.000 0.472 297 I N 1.703 122.324 120.570 0.086 0.000 2.872 297 I HA -0.098 4.070 4.170 -0.002 0.000 0.291 297 I C 0.835 177.010 176.117 0.097 0.000 1.216 297 I CA 0.645 61.995 61.300 0.083 0.000 1.424 297 I CB 0.735 38.778 38.000 0.071 0.000 1.351 297 I HN 0.750 nan 8.210 nan 0.000 0.592 298 T N 3.578 118.190 114.554 0.097 0.000 2.881 298 T HA 0.501 4.850 4.350 -0.002 0.000 0.278 298 T C 0.976 175.743 174.700 0.110 0.000 0.982 298 T CA -0.175 61.992 62.100 0.113 0.000 0.989 298 T CB 1.620 70.549 68.868 0.103 0.000 1.058 298 T HN 0.695 nan 8.240 nan 0.000 0.529 299 A N 1.098 123.993 122.820 0.125 0.000 1.858 299 A HA 0.203 4.521 4.320 -0.002 0.000 0.216 299 A C 2.709 180.320 177.584 0.045 0.000 1.190 299 A CA 1.984 54.055 52.037 0.056 0.000 0.617 299 A CB -1.675 17.321 19.000 -0.006 0.000 0.827 299 A HN 1.345 nan 8.150 nan 0.000 0.443 300 A N -0.672 122.188 122.820 0.067 0.000 1.903 300 A HA -0.309 4.009 4.320 -0.002 0.000 0.219 300 A C 2.129 179.761 177.584 0.079 0.000 1.191 300 A CA 2.080 54.160 52.037 0.073 0.000 0.638 300 A CB -0.699 18.351 19.000 0.083 0.000 0.823 300 A HN 0.685 nan 8.150 nan 0.000 0.451 301 Q N -1.072 118.780 119.800 0.087 0.000 2.123 301 Q HA 0.038 4.377 4.340 -0.002 0.000 0.199 301 Q C 2.379 178.452 176.000 0.120 0.000 0.966 301 Q CA 1.178 57.039 55.803 0.096 0.000 0.845 301 Q CB -0.332 28.463 28.738 0.095 0.000 0.907 301 Q HN 0.698 nan 8.270 nan 0.000 0.439 302 A N 0.653 123.552 122.820 0.131 0.000 1.969 302 A HA -0.110 4.209 4.320 -0.002 0.000 0.218 302 A C 1.985 179.751 177.584 0.303 0.000 1.169 302 A CA 0.860 53.023 52.037 0.210 0.000 0.635 302 A CB -0.507 18.602 19.000 0.182 0.000 0.810 302 A HN 0.288 nan 8.150 nan 0.000 0.445 303 L N -0.941 120.357 121.223 0.124 0.000 2.191 303 L HA -0.137 4.202 4.340 -0.002 0.000 0.212 303 L C 2.569 179.318 176.870 -0.202 0.000 1.103 303 L CA 0.904 55.775 54.840 0.052 0.000 0.769 303 L CB -0.245 41.822 42.059 0.013 0.000 0.908 303 L HN 0.416 nan 8.230 nan 0.000 0.438 304 A N -2.255 120.448 122.820 -0.195 0.000 2.307 304 A HA -0.029 4.290 4.320 -0.002 0.000 0.218 304 A C 0.737 178.335 177.584 0.023 0.000 1.228 304 A CA -0.165 51.702 52.037 -0.283 0.000 0.857 304 A CB -0.648 18.320 19.000 -0.053 0.000 0.897 304 A HN 0.302 nan 8.150 nan 0.000 0.495 305 H N 0.077 119.194 119.070 0.079 0.000 2.610 305 H HA 0.399 4.953 4.556 -0.002 0.000 0.336 305 H C 1.378 176.746 175.328 0.066 0.000 1.087 305 H CA 0.341 56.436 56.048 0.079 0.000 1.405 305 H CB 1.406 31.218 29.762 0.084 0.000 1.460 305 H HN 0.151 nan 8.280 nan 0.000 0.538 306 A N 5.149 127.824 122.820 -0.241 0.000 2.009 306 A HA -0.303 4.016 4.320 -0.002 0.000 0.222 306 A C 1.925 179.549 177.584 0.067 0.000 1.175 306 A CA 1.739 53.724 52.037 -0.088 0.000 0.651 306 A CB -1.074 17.818 19.000 -0.180 0.000 0.815 306 A HN 0.862 nan 8.150 nan 0.000 0.459 307 Y N -0.549 119.764 120.300 0.021 0.000 2.256 307 Y HA -0.179 4.370 4.550 -0.002 0.000 0.288 307 Y C 1.072 176.836 175.900 -0.227 0.000 1.155 307 Y CA 1.439 59.433 58.100 -0.176 0.000 1.203 307 Y CB -0.337 37.877 38.460 -0.411 0.000 0.980 307 Y HN 0.315 nan 8.280 nan 0.000 0.530 308 F N -0.900 119.174 119.950 0.206 0.000 2.645 308 F HA 0.377 4.902 4.527 -0.002 0.000 0.300 308 F C 2.017 177.870 175.800 0.087 0.000 1.115 308 F CA 0.033 58.114 58.000 0.136 0.000 1.355 308 F CB -1.079 38.086 39.000 0.275 0.000 1.026 308 F HN 0.062 nan 8.300 nan 0.000 0.536 309 A N 0.009 122.925 122.820 0.160 0.000 1.927 309 A HA -0.245 4.073 4.320 -0.002 0.000 0.220 309 A C 2.321 179.898 177.584 -0.011 0.000 1.185 309 A CA 1.655 53.749 52.037 0.095 0.000 0.639 309 A CB -0.422 18.597 19.000 0.033 0.000 0.820 309 A HN 0.303 nan 8.150 nan 0.000 0.451 310 Q N -2.030 117.693 119.800 -0.128 0.000 2.226 310 Q HA -0.147 4.191 4.340 -0.002 0.000 0.204 310 Q C 1.269 176.910 176.000 -0.598 0.000 0.975 310 Q CA 1.523 57.090 55.803 -0.393 0.000 0.866 310 Q CB -0.165 28.235 28.738 -0.563 0.000 0.915 310 Q HN 0.929 nan 8.270 nan 0.000 0.440 311 Y N -2.179 118.018 120.300 -0.172 0.000 2.535 311 Y HA 0.097 4.645 4.550 -0.002 0.000 0.264 311 Y C 0.772 176.374 175.900 -0.497 0.000 1.087 311 Y CA -0.583 57.251 58.100 -0.443 0.000 1.285 311 Y CB -0.077 37.884 38.460 -0.831 0.000 1.200 311 Y HN 0.093 nan 8.280 nan 0.000 0.514 312 H N 2.018 120.977 119.070 -0.184 0.000 3.034 312 H HA 0.182 4.736 4.556 -0.002 0.000 0.324 312 H C -0.907 174.466 175.328 0.075 0.000 1.015 312 H CA 0.222 56.309 56.048 0.064 0.000 1.429 312 H CB 0.267 30.148 29.762 0.198 0.000 1.429 312 H HN 0.093 nan 8.280 nan 0.000 0.585 313 D N 5.755 126.061 120.400 -0.157 0.000 2.478 313 D HA 0.192 4.830 4.640 -0.002 0.000 0.240 313 D C -2.300 173.878 176.300 -0.203 0.000 1.364 313 D CA -1.966 51.898 54.000 -0.227 0.000 0.987 313 D CB 1.600 42.380 40.800 -0.033 0.000 1.328 313 D HN 0.302 nan 8.370 nan 0.000 0.584 314 P HA 0.000 nan 4.420 nan 0.000 0.225 314 P C 0.353 177.661 177.300 0.014 0.000 1.148 314 P CA 0.723 63.781 63.100 -0.070 0.000 0.779 314 P CB 0.419 32.093 31.700 -0.044 0.000 0.780 315 D N -1.475 118.920 120.400 -0.009 0.000 2.339 315 D HA -0.007 4.631 4.640 -0.002 0.000 0.217 315 D C 0.227 176.544 176.300 0.027 0.000 1.050 315 D CA 0.714 54.723 54.000 0.015 0.000 0.856 315 D CB -0.013 40.788 40.800 0.003 0.000 0.922 315 D HN 0.155 nan 8.370 nan 0.000 0.518 316 D N 0.575 121.001 120.400 0.043 0.000 2.945 316 D HA 0.089 4.728 4.640 -0.002 0.000 0.366 316 D C -0.769 175.584 176.300 0.088 0.000 1.352 316 D CA -0.158 53.872 54.000 0.051 0.000 0.810 316 D CB 0.020 40.847 40.800 0.044 0.000 1.170 316 D HN -0.140 nan 8.370 nan 0.000 0.461 317 E N 1.544 121.806 120.200 0.104 0.000 3.386 317 E HA 0.232 4.581 4.350 -0.002 0.000 0.236 317 E C -2.404 174.286 176.600 0.150 0.000 1.227 317 E CA -1.538 54.944 56.400 0.137 0.000 0.970 317 E CB 1.455 31.259 29.700 0.173 0.000 1.343 317 E HN 0.244 nan 8.360 nan 0.000 0.397 318 P HA 0.042 nan 4.420 nan 0.000 0.274 318 P C 0.103 177.584 177.300 0.301 0.000 1.231 318 P CA -0.347 62.869 63.100 0.192 0.000 0.790 318 P CB 1.059 32.847 31.700 0.147 0.000 0.951 319 V N -1.134 118.904 119.914 0.206 0.000 2.973 319 V HA 0.809 4.928 4.120 -0.002 0.000 0.314 319 V C 0.203 176.332 176.094 0.059 0.000 1.066 319 V CA -1.121 61.247 62.300 0.114 0.000 1.021 319 V CB 0.592 32.442 31.823 0.045 0.000 1.076 319 V HN 0.732 nan 8.190 nan 0.000 0.462 320 A N 1.004 123.651 122.820 -0.289 0.000 2.286 320 A HA 0.557 4.875 4.320 -0.002 0.000 0.286 320 A C -0.024 177.514 177.584 -0.077 0.000 1.097 320 A CA -0.539 51.250 52.037 -0.414 0.000 0.821 320 A CB 0.103 18.560 19.000 -0.906 0.000 1.076 320 A HN 0.959 nan 8.150 nan 0.000 0.490 321 D N 0.724 121.122 120.400 -0.003 0.000 2.360 321 D HA 0.357 4.996 4.640 -0.002 0.000 0.242 321 D C -2.316 174.133 176.300 0.248 0.000 1.184 321 D CA -0.730 53.340 54.000 0.116 0.000 0.930 321 D CB 0.068 40.952 40.800 0.140 0.000 1.161 321 D HN 0.202 nan 8.370 nan 0.000 0.447 322 P HA 0.017 nan 4.420 nan 0.000 0.268 322 P C -0.912 176.475 177.300 0.145 0.000 1.204 322 P CA 0.136 63.329 63.100 0.155 0.000 0.768 322 P CB 0.109 31.863 31.700 0.090 0.000 0.842 323 Y N 2.831 123.064 120.300 -0.113 0.000 2.356 323 Y HA 0.253 4.801 4.550 -0.002 0.000 0.334 323 Y C -0.159 175.669 175.900 -0.120 0.000 0.958 323 Y CA -0.879 57.015 58.100 -0.344 0.000 1.196 323 Y CB 0.638 38.838 38.460 -0.434 0.000 1.137 323 Y HN 0.271 nan 8.280 nan 0.000 0.485 324 D N 5.922 126.039 120.400 -0.472 0.000 2.352 324 D HA 0.039 4.677 4.640 -0.002 0.000 0.245 324 D C -0.258 175.764 176.300 -0.462 0.000 1.224 324 D CA 0.091 53.894 54.000 -0.328 0.000 0.879 324 D CB 0.800 41.510 40.800 -0.151 0.000 1.057 324 D HN 0.850 nan 8.370 nan 0.000 0.491 325 Q N 1.509 121.117 119.800 -0.321 0.000 2.211 325 Q HA 0.121 4.459 4.340 -0.002 0.000 0.301 325 Q C 0.923 176.789 176.000 -0.223 0.000 0.884 325 Q CA -0.442 55.213 55.803 -0.247 0.000 1.115 325 Q CB 0.258 28.874 28.738 -0.203 0.000 1.217 325 Q HN 0.281 nan 8.270 nan 0.000 0.451 326 S N 0.623 116.293 115.700 -0.050 0.000 2.442 326 S HA -0.216 4.252 4.470 -0.002 0.000 0.236 326 S C 1.634 176.259 174.600 0.041 0.000 1.007 326 S CA 0.899 59.091 58.200 -0.013 0.000 0.965 326 S CB -0.859 62.357 63.200 0.026 0.000 0.773 326 S HN 0.665 nan 8.310 nan 0.000 0.504 327 F N 2.070 122.086 119.950 0.110 0.000 2.333 327 F HA 0.128 4.654 4.527 -0.002 0.000 0.300 327 F C 2.035 178.007 175.800 0.285 0.000 1.083 327 F CA 0.970 59.117 58.000 0.244 0.000 1.395 327 F CB -0.613 38.638 39.000 0.418 0.000 1.056 327 F HN 0.045 nan 8.300 nan 0.000 0.529 328 E N 1.217 120.974 120.200 -0.738 0.000 2.085 328 E HA -0.170 4.179 4.350 -0.002 0.000 0.194 328 E C 2.053 178.588 176.600 -0.108 0.000 0.994 328 E CA 1.675 57.754 56.400 -0.534 0.000 0.801 328 E CB -0.561 28.830 29.700 -0.515 0.000 0.743 328 E HN 0.608 nan 8.360 nan 0.000 0.453 329 S N 0.078 115.746 115.700 -0.053 0.000 2.622 329 S HA 0.195 4.664 4.470 -0.002 0.000 0.236 329 S C 0.676 175.320 174.600 0.075 0.000 0.956 329 S CA -0.389 57.819 58.200 0.013 0.000 0.971 329 S CB 0.253 63.445 63.200 -0.013 0.000 0.782 329 S HN -0.005 nan 8.310 nan 0.000 0.468 330 R N 1.612 122.211 120.500 0.165 0.000 2.346 330 R HA 0.282 4.620 4.340 -0.002 0.000 0.311 330 R C -1.390 175.052 176.300 0.238 0.000 0.983 330 R CA -0.435 55.765 56.100 0.166 0.000 0.880 330 R CB 0.543 30.940 30.300 0.161 0.000 1.100 330 R HN 0.175 nan 8.270 nan 0.000 0.453 331 D N 5.768 126.238 120.400 0.115 0.000 2.396 331 D HA 0.253 4.892 4.640 -0.002 0.000 0.225 331 D C -0.386 175.911 176.300 -0.006 0.000 1.121 331 D CA -0.008 54.065 54.000 0.121 0.000 0.853 331 D CB 1.128 41.973 40.800 0.074 0.000 1.043 331 D HN 0.335 nan 8.370 nan 0.000 0.500 332 L N 1.659 122.864 121.223 -0.029 0.000 2.309 332 L HA 0.507 4.846 4.340 -0.002 0.000 0.261 332 L C 0.172 176.966 176.870 -0.126 0.000 1.021 332 L CA -1.042 53.592 54.840 -0.345 0.000 0.823 332 L CB 1.853 43.205 42.059 -1.180 0.000 1.366 332 L HN 0.045 nan 8.230 nan 0.000 0.423 333 L N 0.871 121.995 121.223 -0.165 0.000 2.468 333 L HA 0.292 4.630 4.340 -0.002 0.000 0.254 333 L C 1.320 178.219 176.870 0.048 0.000 1.171 333 L CA -0.349 54.476 54.840 -0.024 0.000 0.809 333 L CB 0.761 42.786 42.059 -0.057 0.000 1.155 333 L HN 0.571 nan 8.230 nan 0.000 0.473 334 I N 0.602 121.245 120.570 0.123 0.000 2.118 334 I HA -0.325 3.844 4.170 -0.002 0.000 0.241 334 I C 1.904 178.055 176.117 0.057 0.000 1.070 334 I CA 1.529 62.930 61.300 0.168 0.000 1.327 334 I CB -0.230 37.837 38.000 0.111 0.000 1.034 334 I HN 0.769 nan 8.210 nan 0.000 0.405 335 D N 0.641 121.022 120.400 -0.032 0.000 2.158 335 D HA -0.223 4.415 4.640 -0.002 0.000 0.197 335 D C 1.916 178.139 176.300 -0.128 0.000 0.995 335 D CA 1.408 55.351 54.000 -0.094 0.000 0.846 335 D CB -0.484 40.265 40.800 -0.086 0.000 0.941 335 D HN 0.532 nan 8.370 nan 0.000 0.456 336 E N -0.205 119.894 120.200 -0.168 0.000 2.051 336 E HA -0.079 4.270 4.350 -0.002 0.000 0.189 336 E C 2.135 178.550 176.600 -0.309 0.000 0.979 336 E CA 0.451 56.684 56.400 -0.277 0.000 0.803 336 E CB -0.270 29.196 29.700 -0.390 0.000 0.761 336 E HN 0.377 nan 8.360 nan 0.000 0.451 337 W N 1.863 123.087 121.300 -0.125 0.000 2.350 337 W HA -0.160 4.499 4.660 -0.002 0.000 0.289 337 W C 2.432 178.896 176.519 -0.092 0.000 1.215 337 W CA 0.801 58.065 57.345 -0.136 0.000 1.236 337 W CB 0.065 29.523 29.460 -0.005 0.000 1.130 337 W HN 0.023 nan 8.180 nan 0.000 0.541 338 K N 0.064 120.475 120.400 0.019 0.000 2.062 338 K HA -0.160 4.159 4.320 -0.002 0.000 0.205 338 K C 2.346 178.915 176.600 -0.052 0.000 1.051 338 K CA 1.611 57.700 56.287 -0.330 0.000 0.941 338 K CB -0.426 31.667 32.500 -0.679 0.000 0.719 338 K HN -0.035 nan 8.250 nan 0.000 0.440 339 S N 0.678 116.344 115.700 -0.056 0.000 2.355 339 S HA -0.069 4.400 4.470 -0.002 0.000 0.222 339 S C 1.951 176.592 174.600 0.068 0.000 1.031 339 S CA 0.938 59.134 58.200 -0.007 0.000 0.993 339 S CB -0.316 62.841 63.200 -0.071 0.000 0.859 339 S HN 0.358 nan 8.310 nan 0.000 0.453 340 L N 0.865 122.086 121.223 -0.003 0.000 2.021 340 L HA -0.173 4.166 4.340 -0.002 0.000 0.215 340 L C 2.786 179.828 176.870 0.287 0.000 1.074 340 L CA 1.950 56.800 54.840 0.018 0.000 0.760 340 L CB -1.399 40.447 42.059 -0.356 0.000 0.889 340 L HN 0.388 nan 8.230 nan 0.000 0.433 341 T N -1.430 113.372 114.554 0.412 0.000 2.684 341 T HA -0.275 4.074 4.350 -0.002 0.000 0.267 341 T C 1.671 176.566 174.700 0.326 0.000 1.036 341 T CA 1.598 64.029 62.100 0.552 0.000 1.148 341 T CB -0.470 68.852 68.868 0.757 0.000 0.863 341 T HN 0.278 nan 8.240 nan 0.000 0.436 342 Y N 2.430 122.754 120.300 0.041 0.000 2.081 342 Y HA -0.239 4.310 4.550 -0.002 0.000 0.280 342 Y C 2.130 177.930 175.900 -0.165 0.000 1.163 342 Y CA 1.720 59.593 58.100 -0.378 0.000 1.135 342 Y CB -0.586 37.607 38.460 -0.444 0.000 0.970 342 Y HN 0.164 nan 8.280 nan 0.000 0.498 343 D N -0.074 120.336 120.400 0.015 0.000 2.158 343 D HA -0.182 4.457 4.640 -0.002 0.000 0.197 343 D C 2.043 178.325 176.300 -0.030 0.000 0.995 343 D CA 1.615 55.602 54.000 -0.022 0.000 0.846 343 D CB -0.225 40.614 40.800 0.064 0.000 0.941 343 D HN 0.474 nan 8.370 nan 0.000 0.456 344 E N 0.225 120.455 120.200 0.050 0.000 2.106 344 E HA -0.074 4.274 4.350 -0.002 0.000 0.192 344 E C 2.426 179.047 176.600 0.035 0.000 0.984 344 E CA 0.240 56.680 56.400 0.067 0.000 0.806 344 E CB -0.130 29.623 29.700 0.088 0.000 0.750 344 E HN 0.190 nan 8.360 nan 0.000 0.458 345 V N 1.869 121.752 119.914 -0.051 0.000 2.270 345 V HA -0.228 3.891 4.120 -0.002 0.000 0.245 345 V C 2.413 178.459 176.094 -0.079 0.000 1.043 345 V CA 1.143 63.396 62.300 -0.078 0.000 1.014 345 V CB -0.364 31.340 31.823 -0.198 0.000 0.645 345 V HN 0.197 nan 8.190 nan 0.000 0.447 346 I N 1.386 121.796 120.570 -0.267 0.000 2.208 346 I HA -0.173 3.996 4.170 -0.002 0.000 0.245 346 I C 2.330 178.417 176.117 -0.049 0.000 1.097 346 I CA 2.342 63.504 61.300 -0.230 0.000 1.363 346 I CB -1.227 36.540 38.000 -0.388 0.000 1.051 346 I HN 0.536 nan 8.210 nan 0.000 0.413 347 S N -0.248 115.446 115.700 -0.009 0.000 2.671 347 S HA 0.022 4.491 4.470 -0.002 0.000 0.220 347 S C 0.482 175.138 174.600 0.093 0.000 0.951 347 S CA -0.515 57.705 58.200 0.034 0.000 0.932 347 S CB -1.039 62.179 63.200 0.030 0.000 0.777 347 S HN 0.216 nan 8.310 nan 0.000 0.508 348 F N 2.709 122.656 119.950 -0.006 0.000 2.504 348 F HA 0.465 4.991 4.527 -0.002 0.000 0.369 348 F C -0.373 175.443 175.800 0.028 0.000 1.082 348 F CA -0.739 57.274 58.000 0.022 0.000 1.216 348 F CB 0.707 39.729 39.000 0.036 0.000 1.108 348 F HN -0.067 nan 8.300 nan 0.000 0.554 349 V N 8.756 128.241 119.914 -0.713 0.000 2.384 349 V HA 0.338 4.456 4.120 -0.002 0.000 0.287 349 V C -1.839 173.615 176.094 -1.066 0.000 1.020 349 V CA -1.689 60.229 62.300 -0.637 0.000 0.850 349 V CB 1.165 32.810 31.823 -0.298 0.000 0.987 349 V HN 0.695 nan 8.190 nan 0.000 0.436 350 P HA 0.226 nan 4.420 nan 0.000 0.270 350 P C -2.548 174.620 177.300 -0.220 0.000 1.223 350 P CA -0.979 61.855 63.100 -0.444 0.000 0.785 350 P CB -0.267 31.378 31.700 -0.092 0.000 0.923 351 P HA 0.243 nan 4.420 nan 0.000 0.272 351 P C -2.241 175.045 177.300 -0.023 0.000 1.230 351 P CA -1.093 61.994 63.100 -0.021 0.000 0.788 351 P CB -0.830 30.900 31.700 0.050 0.000 0.949 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 352 P CB 0.000 31.688 31.700 -0.019 0.000 0.726