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 3n25_1_G DATA FIRST_RESID 11 DATA SEQUENCE FIQTQQLHAA MADTFLEHKC RLDIDSAPIT ARNTGIICTI GPASRSVETL DATA SEQUENCE KEMIKSGMNV ARMNFSHGTH EYHAETIKNV RTATESFASD PILYRPVAVA DATA SEQUENCE LDTKGPEIRT GLXXXXXXXE VELKKGATLK ITLDNAYMEK CDENILWLDY DATA SEQUENCE KNICKVVDVG SKVYVDDGLI SLQVKQKXXX FLVTEVENGG FLGSKKGVNL DATA SEQUENCE PGAAVDLPAV SEKDIQDLKF GVEQDVDMVF ASFIRKAADV HEVRKILGEK DATA SEQUENCE GKNIKIISKI ENHEGVRRFD EILEASDGIM VARGDLGIEI PAEKVFLAQK DATA SEQUENCE MIIGRCNRAG KPVICATQML ESMIKKPRPT RAEGSDVANA VLDGADCIML DATA SEQUENCE SGETAKGDYP LEAVRMQHLI AREAEAAMFH RKLFEELARA SSQSTDLMEA DATA SEQUENCE MAMGSVEASY KCLAAALIVL TESGRSAHQV ARYRPRAPII AVTRNHQTAR DATA SEQUENCE QAHLYRGIFP VVCKDPVQEA WAEDVDLRVN LAMNVGKARG FFKKGDVVIV DATA SEQUENCE LTGWRPGSGF TNTMRVVPVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.771 175.800 -0.048 0.000 0.967 11 F CA 0.000 57.978 58.000 -0.036 0.000 1.383 11 F CB 0.000 38.981 39.000 -0.031 0.000 1.145 12 I N 5.256 125.534 120.570 -0.487 0.000 2.336 12 I HA 0.299 4.469 4.170 -0.000 0.000 0.292 12 I C -0.197 175.710 176.117 -0.350 0.000 0.991 12 I CA -0.640 60.481 61.300 -0.298 0.000 1.227 12 I CB 1.679 39.531 38.000 -0.246 0.000 1.366 12 I HN 0.535 nan 8.210 nan 0.000 0.466 13 Q N 4.105 123.923 119.800 0.030 0.000 2.330 13 Q HA 0.098 4.438 4.340 -0.000 0.000 0.279 13 Q C 0.314 176.343 176.000 0.049 0.000 1.024 13 Q CA -0.034 55.873 55.803 0.174 0.000 0.900 13 Q CB 0.821 29.666 28.738 0.179 0.000 1.221 13 Q HN 0.712 nan 8.270 nan 0.000 0.396 14 T N 0.127 114.730 114.554 0.082 0.000 2.802 14 T HA 0.000 4.350 4.350 -0.000 0.000 0.305 14 T C 0.461 175.189 174.700 0.047 0.000 1.053 14 T CA -0.467 61.655 62.100 0.037 0.000 1.058 14 T CB 1.021 69.929 68.868 0.067 0.000 0.988 14 T HN 0.835 nan 8.240 nan 0.000 0.539 15 Q N 0.375 120.192 119.800 0.029 0.000 2.502 15 Q HA -0.231 4.109 4.340 -0.000 0.000 0.273 15 Q C -0.262 175.767 176.000 0.048 0.000 1.127 15 Q CA 0.680 56.506 55.803 0.038 0.000 0.952 15 Q CB -1.266 27.498 28.738 0.042 0.000 1.333 15 Q HN 0.861 nan 8.270 nan 0.000 0.494 16 Q N -2.012 117.803 119.800 0.026 0.000 2.434 16 Q HA -0.252 4.088 4.340 -0.000 0.000 0.299 16 Q C 0.547 176.572 176.000 0.040 0.000 1.286 16 Q CA 1.529 57.336 55.803 0.007 0.000 0.872 16 Q CB -1.816 26.909 28.738 -0.023 0.000 1.193 16 Q HN 0.704 nan 8.270 nan 0.000 0.466 17 L N -1.312 119.953 121.223 0.070 0.000 2.156 17 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 17 L C 2.446 179.383 176.870 0.112 0.000 1.095 17 L CA 1.273 56.166 54.840 0.089 0.000 0.770 17 L CB -0.425 41.690 42.059 0.093 0.000 0.914 17 L HN 0.522 nan 8.230 nan 0.000 0.439 18 H N 0.350 119.423 119.070 0.005 0.000 2.353 18 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 18 H C 2.117 177.421 175.328 -0.039 0.000 1.090 18 H CA 1.357 57.400 56.048 -0.009 0.000 1.327 18 H CB 0.445 30.195 29.762 -0.019 0.000 1.383 18 H HN 0.342 nan 8.280 nan 0.000 0.508 19 A N 0.982 123.673 122.820 -0.215 0.000 1.968 19 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 19 A C 2.555 180.080 177.584 -0.098 0.000 1.169 19 A CA 1.065 52.887 52.037 -0.358 0.000 0.638 19 A CB -0.759 17.891 19.000 -0.584 0.000 0.812 19 A HN 0.571 nan 8.150 nan 0.000 0.446 20 A N -1.170 121.678 122.820 0.046 0.000 2.131 20 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 20 A C 1.837 179.522 177.584 0.169 0.000 1.158 20 A CA 1.531 53.668 52.037 0.167 0.000 0.665 20 A CB -0.357 18.733 19.000 0.149 0.000 0.795 20 A HN 0.415 nan 8.150 nan 0.000 0.460 21 M N -0.491 119.157 119.600 0.079 0.000 2.383 21 M HA 0.271 4.751 4.480 -0.000 0.000 0.247 21 M C 0.813 177.160 176.300 0.078 0.000 1.117 21 M CA -0.032 55.322 55.300 0.091 0.000 0.995 21 M CB -0.802 31.842 32.600 0.074 0.000 1.480 21 M HN 0.383 nan 8.290 nan 0.000 0.485 22 A N 0.811 123.655 122.820 0.040 0.000 2.407 22 A HA 0.132 4.452 4.320 -0.000 0.000 0.248 22 A C 0.829 178.556 177.584 0.239 0.000 1.082 22 A CA -0.076 51.978 52.037 0.028 0.000 0.785 22 A CB 0.432 19.348 19.000 -0.141 0.000 1.020 22 A HN 0.278 nan 8.150 nan 0.000 0.489 23 D N -0.064 120.435 120.400 0.165 0.000 2.137 23 D HA -0.005 4.635 4.640 -0.000 0.000 0.202 23 D C 1.201 177.656 176.300 0.259 0.000 0.970 23 D CA 2.100 56.210 54.000 0.183 0.000 0.837 23 D CB -0.099 40.763 40.800 0.103 0.000 0.981 23 D HN 0.758 nan 8.370 nan 0.000 0.475 24 T N -3.148 111.552 114.554 0.243 0.000 2.949 24 T HA 0.294 4.644 4.350 -0.000 0.000 0.287 24 T C 0.835 175.775 174.700 0.401 0.000 1.034 24 T CA -0.876 61.393 62.100 0.282 0.000 1.018 24 T CB 1.384 70.351 68.868 0.165 0.000 1.135 24 T HN -0.081 nan 8.240 nan 0.000 0.532 25 F N 0.447 120.572 119.950 0.290 0.000 2.186 25 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 25 F C 1.958 177.827 175.800 0.115 0.000 1.090 25 F CA 0.981 59.142 58.000 0.268 0.000 1.307 25 F CB -0.153 38.973 39.000 0.211 0.000 1.019 25 F HN 0.521 nan 8.300 nan 0.000 0.489 26 L N 0.864 122.161 121.223 0.123 0.000 2.017 26 L HA -0.199 4.140 4.340 -0.000 0.000 0.208 26 L C 2.238 179.044 176.870 -0.107 0.000 1.073 26 L CA 2.299 57.135 54.840 -0.008 0.000 0.745 26 L CB -0.990 41.100 42.059 0.052 0.000 0.894 26 L HN 0.206 nan 8.230 nan 0.000 0.432 27 E N -1.572 118.587 120.200 -0.068 0.000 2.204 27 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 27 E C 2.133 178.590 176.600 -0.239 0.000 0.989 27 E CA 1.319 57.649 56.400 -0.118 0.000 0.824 27 E CB -0.243 29.422 29.700 -0.059 0.000 0.756 27 E HN 0.736 nan 8.360 nan 0.000 0.477 28 H N 0.164 118.970 119.070 -0.439 0.000 2.357 28 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 28 H C 1.644 176.645 175.328 -0.544 0.000 1.082 28 H CA 2.045 57.684 56.048 -0.682 0.000 1.342 28 H CB 0.233 29.250 29.762 -1.242 0.000 1.389 28 H HN 0.046 nan 8.280 nan 0.000 0.511 29 K N -0.505 119.575 120.400 -0.533 0.000 2.001 29 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 29 K C 2.449 178.857 176.600 -0.320 0.000 1.048 29 K CA 1.379 57.406 56.287 -0.433 0.000 0.932 29 K CB -0.414 31.889 32.500 -0.330 0.000 0.715 29 K HN 0.301 nan 8.250 nan 0.000 0.437 30 C N 0.913 120.065 119.300 -0.246 0.000 2.403 30 C HA -0.100 4.360 4.460 -0.000 0.000 0.282 30 C C 2.230 177.109 174.990 -0.186 0.000 1.297 30 C CA 0.801 59.714 59.018 -0.174 0.000 1.785 30 C CB -1.006 26.657 27.740 -0.127 0.000 1.963 30 C HN 0.371 nan 8.230 nan 0.000 0.507 31 R N -0.319 120.014 120.500 -0.278 0.000 2.334 31 R HA 0.244 4.584 4.340 -0.000 0.000 0.216 31 R C 0.182 176.332 176.300 -0.250 0.000 0.905 31 R CA -0.168 55.773 56.100 -0.264 0.000 1.064 31 R CB -0.013 30.026 30.300 -0.436 0.000 1.046 31 R HN 0.482 nan 8.270 nan 0.000 0.508 32 L N 1.765 122.806 121.223 -0.304 0.000 2.525 32 L HA 0.003 4.343 4.340 -0.000 0.000 0.278 32 L C -0.061 176.724 176.870 -0.143 0.000 1.218 32 L CA 0.498 55.188 54.840 -0.251 0.000 0.878 32 L CB 0.152 42.055 42.059 -0.260 0.000 1.127 32 L HN -0.056 nan 8.230 nan 0.000 0.492 33 D N 2.415 122.750 120.400 -0.109 0.000 2.788 33 D HA 0.233 4.873 4.640 -0.000 0.000 0.247 33 D C 0.601 176.861 176.300 -0.067 0.000 1.236 33 D CA -0.549 53.407 54.000 -0.072 0.000 0.898 33 D CB 1.641 42.411 40.800 -0.050 0.000 1.401 33 D HN 0.440 nan 8.370 nan 0.000 0.549 34 I N -0.275 120.259 120.570 -0.061 0.000 2.830 34 I HA 0.077 4.247 4.170 -0.000 0.000 0.263 34 I C 0.444 176.528 176.117 -0.054 0.000 1.230 34 I CA 0.841 62.109 61.300 -0.054 0.000 1.480 34 I CB 0.246 38.217 38.000 -0.048 0.000 1.095 34 I HN 0.073 nan 8.210 nan 0.000 0.455 35 D N 1.240 121.603 120.400 -0.061 0.000 2.368 35 D HA 0.100 4.740 4.640 -0.000 0.000 0.218 35 D C 0.380 176.627 176.300 -0.088 0.000 1.112 35 D CA 0.206 54.162 54.000 -0.072 0.000 0.834 35 D CB 0.614 41.368 40.800 -0.076 0.000 0.953 35 D HN 0.240 nan 8.370 nan 0.000 0.505 36 S N 0.989 116.645 115.700 -0.072 0.000 2.399 36 S HA 0.463 4.933 4.470 -0.000 0.000 0.301 36 S C 0.023 174.592 174.600 -0.051 0.000 1.093 36 S CA -0.610 57.549 58.200 -0.068 0.000 1.077 36 S CB 0.535 63.708 63.200 -0.045 0.000 0.980 36 S HN 0.183 nan 8.310 nan 0.000 0.494 37 A N 7.738 130.525 122.820 -0.054 0.000 2.454 37 A HA 0.552 4.872 4.320 -0.000 0.000 0.260 37 A C -1.980 175.596 177.584 -0.012 0.000 1.106 37 A CA -1.273 50.744 52.037 -0.033 0.000 0.780 37 A CB -0.116 18.863 19.000 -0.035 0.000 1.044 37 A HN 0.709 nan 8.150 nan 0.000 0.498 38 P HA 0.267 nan 4.420 nan 0.000 0.273 38 P C 0.139 177.445 177.300 0.010 0.000 1.250 38 P CA -0.251 62.849 63.100 0.001 0.000 0.793 38 P CB 0.395 32.088 31.700 -0.011 0.000 1.011 39 I N -2.819 117.758 120.570 0.011 0.000 3.079 39 I HA 0.149 4.319 4.170 -0.000 0.000 0.295 39 I C 1.297 177.430 176.117 0.028 0.000 1.094 39 I CA -0.452 60.858 61.300 0.017 0.000 1.295 39 I CB -0.521 37.474 38.000 -0.009 0.000 1.443 39 I HN 0.168 nan 8.210 nan 0.000 0.607 40 T N 2.395 116.991 114.554 0.070 0.000 2.708 40 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 40 T C 1.104 175.901 174.700 0.162 0.000 1.037 40 T CA 1.329 63.519 62.100 0.150 0.000 1.146 40 T CB -0.308 68.704 68.868 0.239 0.000 0.865 40 T HN 0.781 nan 8.240 nan 0.000 0.435 41 A N 1.928 124.715 122.820 -0.054 0.000 2.520 41 A HA 0.387 4.707 4.320 -0.000 0.000 0.235 41 A C 0.613 178.171 177.584 -0.044 0.000 1.065 41 A CA 0.002 51.875 52.037 -0.273 0.000 0.764 41 A CB 0.150 18.588 19.000 -0.937 0.000 1.002 41 A HN 0.309 nan 8.150 nan 0.000 0.502 42 R N 1.978 122.525 120.500 0.078 0.000 2.502 42 R HA 0.234 4.574 4.340 -0.000 0.000 0.300 42 R C -0.848 175.528 176.300 0.126 0.000 0.984 42 R CA -0.604 55.545 56.100 0.082 0.000 0.882 42 R CB 0.941 31.307 30.300 0.111 0.000 1.180 42 R HN 0.856 nan 8.270 nan 0.000 0.444 43 N N 1.052 119.806 118.700 0.089 0.000 2.405 43 N HA 0.019 4.759 4.740 -0.000 0.000 0.175 43 N C -0.413 175.170 175.510 0.122 0.000 1.051 43 N CA 0.618 53.738 53.050 0.115 0.000 0.899 43 N CB 0.581 39.131 38.487 0.105 0.000 1.000 43 N HN 0.452 nan 8.380 nan 0.000 0.451 44 T N 0.517 115.130 114.554 0.097 0.000 2.743 44 T HA 0.426 4.776 4.350 -0.000 0.000 0.293 44 T C 0.701 175.452 174.700 0.084 0.000 0.945 44 T CA -0.701 61.447 62.100 0.080 0.000 1.030 44 T CB 1.447 70.347 68.868 0.052 0.000 0.912 44 T HN 0.086 nan 8.240 nan 0.000 0.483 45 G N 2.645 111.492 108.800 0.079 0.000 2.398 45 G HA2 0.449 4.409 3.960 -0.000 0.000 0.246 45 G HA3 0.449 4.409 3.960 -0.000 0.000 0.246 45 G C -0.300 174.622 174.900 0.037 0.000 1.289 45 G CA -0.501 44.640 45.100 0.068 0.000 0.869 45 G HN 0.775 nan 8.290 nan 0.000 0.543 46 I N 2.527 123.106 120.570 0.015 0.000 2.328 46 I HA 0.258 4.428 4.170 -0.000 0.000 0.287 46 I C -0.077 176.043 176.117 0.005 0.000 1.012 46 I CA -0.379 60.930 61.300 0.015 0.000 1.195 46 I CB 1.402 39.416 38.000 0.023 0.000 1.350 46 I HN 0.230 nan 8.210 nan 0.000 0.464 47 I N 5.878 126.468 120.570 0.035 0.000 2.315 47 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 47 I C -0.507 175.651 176.117 0.069 0.000 1.006 47 I CA -0.296 61.045 61.300 0.070 0.000 1.265 47 I CB 1.117 39.196 38.000 0.132 0.000 1.387 47 I HN 0.528 nan 8.210 nan 0.000 0.475 48 C N 4.193 123.530 119.300 0.062 0.000 2.319 48 C HA 0.352 4.812 4.460 -0.000 0.000 0.323 48 C C 0.641 175.678 174.990 0.078 0.000 1.277 48 C CA -0.599 58.456 59.018 0.061 0.000 1.517 48 C CB 0.926 28.689 27.740 0.039 0.000 2.206 48 C HN 0.668 nan 8.230 nan 0.000 0.486 49 T N 5.595 120.202 114.554 0.089 0.000 2.738 49 T HA 0.239 4.589 4.350 -0.000 0.000 0.293 49 T C 0.440 175.196 174.700 0.094 0.000 0.913 49 T CA 0.003 62.166 62.100 0.105 0.000 1.103 49 T CB -0.244 68.692 68.868 0.112 0.000 0.880 49 T HN 0.360 nan 8.240 nan 0.000 0.526 50 I N 3.451 124.081 120.570 0.101 0.000 2.474 50 I HA 0.589 4.758 4.170 -0.000 0.000 0.287 50 I C 1.018 177.204 176.117 0.115 0.000 1.048 50 I CA -0.093 61.260 61.300 0.089 0.000 1.383 50 I CB 0.606 38.652 38.000 0.076 0.000 1.412 50 I HN 0.751 nan 8.210 nan 0.000 0.531 51 G N 6.338 115.194 108.800 0.093 0.000 2.731 51 G HA2 0.464 4.424 3.960 -0.000 0.000 0.309 51 G HA3 0.464 4.424 3.960 -0.000 0.000 0.309 51 G C -2.480 172.475 174.900 0.091 0.000 1.273 51 G CA -0.343 44.830 45.100 0.122 0.000 0.798 51 G HN 0.285 nan 8.290 nan 0.000 0.509 52 P HA -0.103 nan 4.420 nan 0.000 0.218 52 P C 1.672 178.989 177.300 0.028 0.000 1.146 52 P CA 2.065 65.210 63.100 0.074 0.000 0.813 52 P CB 0.083 31.819 31.700 0.060 0.000 0.778 53 A N 0.085 122.918 122.820 0.021 0.000 2.067 53 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 53 A C 1.738 179.325 177.584 0.006 0.000 1.156 53 A CA 1.472 53.511 52.037 0.003 0.000 0.683 53 A CB -0.642 18.356 19.000 -0.004 0.000 0.808 53 A HN 0.361 nan 8.150 nan 0.000 0.455 54 S N -2.253 113.457 115.700 0.016 0.000 2.902 54 S HA 0.365 4.835 4.470 -0.000 0.000 0.250 54 S C 0.745 175.350 174.600 0.009 0.000 1.046 54 S CA -0.311 57.899 58.200 0.017 0.000 1.069 54 S CB 0.121 63.338 63.200 0.028 0.000 0.967 54 S HN 0.479 nan 8.310 nan 0.000 0.530 55 R N 1.991 122.487 120.500 -0.007 0.000 2.237 55 R HA 0.188 4.528 4.340 -0.000 0.000 0.195 55 R C 0.832 177.107 176.300 -0.041 0.000 0.956 55 R CA 0.694 56.772 56.100 -0.038 0.000 1.029 55 R CB 0.211 30.465 30.300 -0.076 0.000 0.972 55 R HN 0.545 nan 8.270 nan 0.000 0.493 56 S N -0.610 115.075 115.700 -0.025 0.000 2.572 56 S HA 0.015 4.485 4.470 -0.000 0.000 0.279 56 S C 1.458 176.051 174.600 -0.012 0.000 1.341 56 S CA -0.668 57.519 58.200 -0.021 0.000 1.043 56 S CB 1.681 64.873 63.200 -0.015 0.000 0.887 56 S HN -0.045 nan 8.310 nan 0.000 0.516 57 V N 2.429 122.335 119.914 -0.015 0.000 2.332 57 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 57 V C 2.660 178.753 176.094 -0.001 0.000 1.055 57 V CA 2.158 64.452 62.300 -0.010 0.000 1.038 57 V CB -0.953 30.857 31.823 -0.022 0.000 0.651 57 V HN 0.871 nan 8.190 nan 0.000 0.450 58 E N -0.150 120.048 120.200 -0.003 0.000 2.077 58 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 58 E C 2.285 178.900 176.600 0.025 0.000 0.989 58 E CA 1.790 58.194 56.400 0.006 0.000 0.800 58 E CB -0.901 28.799 29.700 0.001 0.000 0.746 58 E HN 0.568 nan 8.360 nan 0.000 0.452 59 T N 2.180 116.746 114.554 0.019 0.000 2.720 59 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 59 T C 2.120 176.844 174.700 0.040 0.000 1.037 59 T CA 0.833 62.949 62.100 0.026 0.000 1.144 59 T CB -0.259 68.618 68.868 0.015 0.000 0.864 59 T HN 0.068 nan 8.240 nan 0.000 0.444 60 L N 0.364 121.611 121.223 0.039 0.000 2.131 60 L HA -0.084 4.255 4.340 -0.000 0.000 0.210 60 L C 2.632 179.564 176.870 0.102 0.000 1.092 60 L CA 1.257 56.130 54.840 0.055 0.000 0.759 60 L CB -0.386 41.700 42.059 0.044 0.000 0.903 60 L HN 0.226 nan 8.230 nan 0.000 0.435 61 K N -0.317 120.159 120.400 0.127 0.000 2.103 61 K HA -0.178 4.141 4.320 -0.000 0.000 0.207 61 K C 1.943 178.696 176.600 0.255 0.000 1.048 61 K CA 1.164 57.614 56.287 0.271 0.000 0.930 61 K CB -0.030 32.577 32.500 0.178 0.000 0.716 61 K HN 0.271 nan 8.250 nan 0.000 0.444 62 E N 0.187 120.464 120.200 0.128 0.000 2.216 62 E HA -0.055 4.294 4.350 -0.000 0.000 0.192 62 E C 1.968 178.584 176.600 0.027 0.000 0.988 62 E CA 0.646 57.089 56.400 0.072 0.000 0.834 62 E CB -0.003 29.730 29.700 0.054 0.000 0.772 62 E HN 0.296 nan 8.360 nan 0.000 0.479 63 M N 0.262 119.882 119.600 0.033 0.000 2.117 63 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 63 M C 2.430 178.710 176.300 -0.035 0.000 1.065 63 M CA 1.194 56.498 55.300 0.006 0.000 1.114 63 M CB -0.796 31.815 32.600 0.018 0.000 1.361 63 M HN 0.077 nan 8.290 nan 0.000 0.408 64 I N -0.080 120.468 120.570 -0.037 0.000 2.315 64 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 64 I C 2.358 178.341 176.117 -0.223 0.000 1.117 64 I CA 1.135 62.357 61.300 -0.130 0.000 1.404 64 I CB -0.288 37.650 38.000 -0.102 0.000 1.071 64 I HN 0.288 nan 8.210 nan 0.000 0.419 65 K N 0.161 120.444 120.400 -0.195 0.000 2.097 65 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 65 K C 2.090 178.593 176.600 -0.163 0.000 1.049 65 K CA 1.483 57.647 56.287 -0.206 0.000 0.933 65 K CB -0.130 32.307 32.500 -0.105 0.000 0.717 65 K HN 0.145 nan 8.250 nan 0.000 0.442 66 S N -1.083 114.545 115.700 -0.119 0.000 2.528 66 S HA 0.079 4.549 4.470 -0.000 0.000 0.219 66 S C 1.100 175.607 174.600 -0.155 0.000 0.985 66 S CA 0.725 58.851 58.200 -0.123 0.000 0.914 66 S CB 0.838 64.007 63.200 -0.053 0.000 0.776 66 S HN 0.618 nan 8.310 nan 0.000 0.526 67 G N 0.988 109.706 108.800 -0.138 0.000 2.370 67 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.174 67 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.174 67 G C 0.121 174.966 174.900 -0.092 0.000 1.002 67 G CA -0.300 44.731 45.100 -0.115 0.000 0.730 67 G HN 0.379 nan 8.290 nan 0.000 0.497 68 M N 1.598 121.146 119.600 -0.087 0.000 2.338 68 M HA 0.209 4.689 4.480 -0.000 0.000 0.360 68 M C 0.990 177.180 176.300 -0.183 0.000 1.547 68 M CA 1.145 56.391 55.300 -0.091 0.000 1.001 68 M CB -0.008 32.561 32.600 -0.052 0.000 2.008 68 M HN 0.299 nan 8.290 nan 0.000 0.464 69 N N 2.781 121.337 118.700 -0.239 0.000 2.414 69 N HA 0.163 4.902 4.740 -0.000 0.000 0.177 69 N C -1.022 174.264 175.510 -0.373 0.000 1.062 69 N CA -0.153 52.577 53.050 -0.533 0.000 0.890 69 N CB 0.860 38.945 38.487 -0.670 0.000 1.070 69 N HN 0.416 nan 8.380 nan 0.000 0.454 70 V N 0.802 120.631 119.914 -0.142 0.000 2.623 70 V HA 0.651 4.771 4.120 -0.000 0.000 0.304 70 V C -0.877 175.221 176.094 0.005 0.000 1.054 70 V CA -1.293 60.990 62.300 -0.028 0.000 0.882 70 V CB 1.560 33.421 31.823 0.063 0.000 1.002 70 V HN 0.078 nan 8.190 nan 0.000 0.424 71 A N 4.745 127.569 122.820 0.007 0.000 2.269 71 A HA 0.702 5.022 4.320 -0.000 0.000 0.302 71 A C 0.106 177.700 177.584 0.017 0.000 1.266 71 A CA -0.445 51.607 52.037 0.025 0.000 0.894 71 A CB 0.306 19.323 19.000 0.029 0.000 1.147 71 A HN 0.871 nan 8.150 nan 0.000 0.537 72 R N 4.032 124.561 120.500 0.048 0.000 2.255 72 R HA 0.490 4.830 4.340 -0.000 0.000 0.326 72 R C -0.825 175.533 176.300 0.098 0.000 0.986 72 R CA -0.602 55.517 56.100 0.031 0.000 0.847 72 R CB 0.525 30.897 30.300 0.121 0.000 1.111 72 R HN 0.667 nan 8.270 nan 0.000 0.452 73 M N 3.339 123.008 119.600 0.115 0.000 2.157 73 M HA 0.211 4.691 4.480 -0.000 0.000 0.354 73 M C -0.366 176.082 176.300 0.247 0.000 1.170 73 M CA -0.960 54.482 55.300 0.236 0.000 1.060 73 M CB 0.677 33.481 32.600 0.340 0.000 1.615 73 M HN 0.429 nan 8.290 nan 0.000 0.460 74 N N 2.421 121.274 118.700 0.255 0.000 2.437 74 N HA 0.232 4.972 4.740 -0.000 0.000 0.243 74 N C -0.651 174.999 175.510 0.233 0.000 1.041 74 N CA -0.233 52.968 53.050 0.252 0.000 0.940 74 N CB 0.141 38.766 38.487 0.231 0.000 1.133 74 N HN 0.420 nan 8.380 nan 0.000 0.506 75 F N 1.321 121.253 119.950 -0.029 0.000 2.725 75 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 75 F C 1.914 177.741 175.800 0.046 0.000 1.167 75 F CA 0.109 58.070 58.000 -0.065 0.000 1.403 75 F CB -0.021 38.895 39.000 -0.139 0.000 1.077 75 F HN 0.461 nan 8.300 nan 0.000 0.537 76 S N -1.628 114.184 115.700 0.186 0.000 2.489 76 S HA -0.027 4.443 4.470 -0.000 0.000 0.228 76 S C 0.050 174.528 174.600 -0.204 0.000 0.995 76 S CA 0.668 58.894 58.200 0.043 0.000 0.934 76 S CB -0.288 62.977 63.200 0.108 0.000 0.771 76 S HN 0.373 nan 8.310 nan 0.000 0.522 77 H N -1.161 117.950 119.070 0.069 0.000 2.961 77 H HA 0.577 5.133 4.556 -0.000 0.000 0.371 77 H C 0.170 175.458 175.328 -0.067 0.000 1.190 77 H CA 0.137 56.177 56.048 -0.013 0.000 1.138 77 H CB 1.620 31.352 29.762 -0.050 0.000 1.816 77 H HN 0.227 nan 8.280 nan 0.000 0.551 78 G N 0.874 109.619 108.800 -0.092 0.000 2.705 78 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 78 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 78 G C 0.028 174.844 174.900 -0.140 0.000 1.285 78 G CA -0.498 44.397 45.100 -0.343 0.000 0.800 78 G HN 0.829 nan 8.290 nan 0.000 0.611 79 T N -1.445 113.037 114.554 -0.121 0.000 2.810 79 T HA 0.510 4.860 4.350 -0.000 0.000 0.277 79 T C 1.337 176.076 174.700 0.065 0.000 0.973 79 T CA 0.406 62.506 62.100 -0.000 0.000 0.949 79 T CB 1.115 69.976 68.868 -0.013 0.000 1.075 79 T HN 0.662 nan 8.240 nan 0.000 0.537 80 H N 0.373 119.342 119.070 -0.168 0.000 2.457 80 H HA -0.058 4.497 4.556 -0.000 0.000 0.294 80 H C 2.119 177.350 175.328 -0.162 0.000 1.064 80 H CA 1.235 57.050 56.048 -0.388 0.000 1.330 80 H CB 0.388 29.781 29.762 -0.616 0.000 1.395 80 H HN 0.711 nan 8.280 nan 0.000 0.541 81 E N 0.486 120.735 120.200 0.080 0.000 2.299 81 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 81 E C 1.701 178.350 176.600 0.083 0.000 0.998 81 E CA 0.390 56.853 56.400 0.105 0.000 0.851 81 E CB -0.634 29.113 29.700 0.078 0.000 0.795 81 E HN 0.560 nan 8.360 nan 0.000 0.492 82 Y N 2.499 122.737 120.300 -0.104 0.000 2.133 82 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 82 Y C 2.389 178.164 175.900 -0.209 0.000 1.134 82 Y CA 2.023 59.998 58.100 -0.209 0.000 1.133 82 Y CB -0.222 38.017 38.460 -0.369 0.000 0.987 82 Y HN 0.065 nan 8.280 nan 0.000 0.502 83 H N -0.584 118.541 119.070 0.091 0.000 2.457 83 H HA -0.009 4.547 4.556 -0.000 0.000 0.294 83 H C 2.279 177.709 175.328 0.171 0.000 1.064 83 H CA 0.956 57.051 56.048 0.078 0.000 1.330 83 H CB -0.524 29.241 29.762 0.006 0.000 1.395 83 H HN 0.525 nan 8.280 nan 0.000 0.541 84 A N 1.160 124.185 122.820 0.342 0.000 1.902 84 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 84 A C 2.373 180.020 177.584 0.106 0.000 1.181 84 A CA 1.644 53.855 52.037 0.290 0.000 0.623 84 A CB -0.342 18.858 19.000 0.332 0.000 0.818 84 A HN 0.425 nan 8.150 nan 0.000 0.443 85 E N -0.856 119.351 120.200 0.012 0.000 2.072 85 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 85 E C 2.029 178.576 176.600 -0.089 0.000 0.985 85 E CA 1.510 57.873 56.400 -0.061 0.000 0.801 85 E CB -0.111 29.510 29.700 -0.133 0.000 0.750 85 E HN 0.562 nan 8.360 nan 0.000 0.452 86 T N 1.413 115.879 114.554 -0.147 0.000 2.684 86 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 86 T C 1.926 176.626 174.700 -0.001 0.000 1.036 86 T CA 1.441 63.477 62.100 -0.106 0.000 1.148 86 T CB -0.210 68.597 68.868 -0.101 0.000 0.863 86 T HN 0.170 nan 8.240 nan 0.000 0.436 87 I N 0.509 121.111 120.570 0.055 0.000 2.315 87 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 87 I C 2.645 178.782 176.117 0.034 0.000 1.117 87 I CA 1.157 62.493 61.300 0.060 0.000 1.404 87 I CB -0.261 37.788 38.000 0.081 0.000 1.071 87 I HN 0.173 nan 8.210 nan 0.000 0.419 88 K N 0.898 121.314 120.400 0.026 0.000 2.032 88 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 88 K C 1.923 178.528 176.600 0.008 0.000 1.048 88 K CA 1.755 58.052 56.287 0.016 0.000 0.927 88 K CB -0.058 32.449 32.500 0.011 0.000 0.712 88 K HN 0.291 nan 8.250 nan 0.000 0.441 89 N N 0.440 119.138 118.700 -0.004 0.000 2.166 89 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 89 N C 1.870 177.387 175.510 0.011 0.000 1.019 89 N CA 1.053 54.099 53.050 -0.007 0.000 0.856 89 N CB -0.409 38.062 38.487 -0.027 0.000 0.993 89 N HN 0.002 nan 8.380 nan 0.000 0.426 90 V N 1.915 121.842 119.914 0.021 0.000 2.233 90 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 90 V C 2.316 178.442 176.094 0.053 0.000 1.050 90 V CA 1.700 64.023 62.300 0.039 0.000 1.010 90 V CB -0.454 31.393 31.823 0.040 0.000 0.637 90 V HN 0.300 nan 8.190 nan 0.000 0.444 91 R N -0.283 120.248 120.500 0.051 0.000 2.120 91 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 91 R C 2.317 178.652 176.300 0.057 0.000 1.123 91 R CA 1.843 57.982 56.100 0.066 0.000 0.975 91 R CB -0.746 29.587 30.300 0.055 0.000 0.866 91 R HN 0.540 nan 8.270 nan 0.000 0.446 92 T N 0.813 115.384 114.554 0.028 0.000 2.777 92 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 92 T C 1.992 176.682 174.700 -0.016 0.000 1.040 92 T CA 1.317 63.419 62.100 0.003 0.000 1.141 92 T CB -0.154 68.708 68.868 -0.010 0.000 0.868 92 T HN 0.374 nan 8.240 nan 0.000 0.444 93 A N 1.510 124.332 122.820 0.003 0.000 1.898 93 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 93 A C 2.554 180.167 177.584 0.048 0.000 1.181 93 A CA 1.900 53.934 52.037 -0.006 0.000 0.620 93 A CB -1.228 17.807 19.000 0.058 0.000 0.819 93 A HN 0.465 nan 8.150 nan 0.000 0.442 94 T N 0.354 114.996 114.554 0.148 0.000 2.720 94 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 94 T C 1.519 176.423 174.700 0.339 0.000 1.037 94 T CA 1.534 63.797 62.100 0.270 0.000 1.144 94 T CB -0.223 68.767 68.868 0.204 0.000 0.864 94 T HN 0.450 nan 8.240 nan 0.000 0.444 95 E N 1.458 121.769 120.200 0.185 0.000 2.482 95 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 95 E C 2.408 179.017 176.600 0.016 0.000 1.047 95 E CA 0.441 56.928 56.400 0.145 0.000 0.869 95 E CB -0.359 29.384 29.700 0.071 0.000 0.836 95 E HN 0.675 nan 8.360 nan 0.000 0.520 96 S N -0.143 115.461 115.700 -0.160 0.000 2.428 96 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 96 S C 1.480 175.869 174.600 -0.351 0.000 1.014 96 S CA 0.439 58.431 58.200 -0.346 0.000 0.957 96 S CB -0.473 62.387 63.200 -0.566 0.000 0.784 96 S HN 0.158 nan 8.310 nan 0.000 0.499 97 F N 1.514 121.537 119.950 0.122 0.000 2.765 97 F HA 0.588 5.115 4.527 -0.000 0.000 0.302 97 F C 2.232 178.157 175.800 0.209 0.000 1.111 97 F CA -0.249 57.837 58.000 0.144 0.000 1.359 97 F CB -0.460 38.620 39.000 0.133 0.000 1.097 97 F HN 0.283 nan 8.300 nan 0.000 0.577 98 A N 0.079 123.056 122.820 0.263 0.000 2.119 98 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 98 A C 2.181 179.756 177.584 -0.014 0.000 1.153 98 A CA 1.277 53.328 52.037 0.024 0.000 0.692 98 A CB -0.890 18.013 19.000 -0.163 0.000 0.799 98 A HN 0.317 nan 8.150 nan 0.000 0.458 99 S N -0.722 114.998 115.700 0.032 0.000 2.727 99 S HA 0.026 4.496 4.470 -0.000 0.000 0.226 99 S C 0.095 174.718 174.600 0.039 0.000 0.963 99 S CA 0.561 58.771 58.200 0.016 0.000 0.950 99 S CB -0.183 63.024 63.200 0.011 0.000 0.779 99 S HN 0.406 nan 8.310 nan 0.000 0.532 100 D N 0.899 121.344 120.400 0.075 0.000 2.330 100 D HA 0.355 4.995 4.640 -0.000 0.000 0.249 100 D C -2.505 173.856 176.300 0.102 0.000 1.306 100 D CA -2.078 51.971 54.000 0.081 0.000 0.956 100 D CB 1.826 42.686 40.800 0.100 0.000 1.261 100 D HN -0.105 nan 8.370 nan 0.000 0.544 101 P HA -0.079 nan 4.420 nan 0.000 0.221 101 P C 1.621 178.982 177.300 0.101 0.000 1.145 101 P CA 0.431 63.565 63.100 0.057 0.000 0.795 101 P CB 0.484 32.192 31.700 0.013 0.000 0.775 102 I N -1.593 119.024 120.570 0.079 0.000 2.277 102 I HA -0.095 4.074 4.170 -0.000 0.000 0.243 102 I C 2.097 178.264 176.117 0.083 0.000 1.094 102 I CA 1.421 62.758 61.300 0.063 0.000 1.393 102 I CB -1.213 36.800 38.000 0.023 0.000 1.078 102 I HN 0.006 nan 8.210 nan 0.000 0.417 103 L N -1.014 120.266 121.223 0.094 0.000 2.529 103 L HA 0.006 4.346 4.340 -0.000 0.000 0.223 103 L C 0.587 177.522 176.870 0.108 0.000 1.113 103 L CA -0.238 54.648 54.840 0.077 0.000 0.861 103 L CB -0.231 41.853 42.059 0.043 0.000 1.012 103 L HN 0.105 nan 8.230 nan 0.000 0.461 104 Y N 2.717 123.046 120.300 0.048 0.000 2.717 104 Y HA 0.001 4.551 4.550 -0.000 0.000 0.330 104 Y C 0.224 176.134 175.900 0.016 0.000 1.217 104 Y CA -0.198 57.936 58.100 0.057 0.000 1.506 104 Y CB 0.259 38.759 38.460 0.066 0.000 1.268 104 Y HN -0.018 nan 8.280 nan 0.000 0.561 105 R N 7.621 127.716 120.500 -0.675 0.000 2.343 105 R HA 0.367 4.707 4.340 -0.000 0.000 0.320 105 R C -2.766 173.036 176.300 -0.830 0.000 0.956 105 R CA -2.496 53.239 56.100 -0.608 0.000 0.836 105 R CB 0.894 30.958 30.300 -0.393 0.000 1.151 105 R HN 0.536 nan 8.270 nan 0.000 0.450 106 P HA 0.122 nan 4.420 nan 0.000 0.271 106 P C -0.554 176.766 177.300 0.032 0.000 1.218 106 P CA -0.227 62.761 63.100 -0.186 0.000 0.780 106 P CB 0.738 32.433 31.700 -0.008 0.000 0.901 107 V N 2.229 122.164 119.914 0.034 0.000 2.531 107 V HA 0.592 4.712 4.120 -0.000 0.000 0.301 107 V C 0.136 176.279 176.094 0.080 0.000 1.034 107 V CA -0.871 61.436 62.300 0.012 0.000 0.865 107 V CB 1.573 33.382 31.823 -0.024 0.000 0.995 107 V HN 0.651 nan 8.190 nan 0.000 0.424 108 A N 4.657 127.535 122.820 0.097 0.000 2.327 108 A HA 0.780 5.100 4.320 -0.000 0.000 0.283 108 A C -0.381 177.223 177.584 0.033 0.000 1.127 108 A CA -0.384 51.711 52.037 0.098 0.000 0.810 108 A CB 0.956 20.045 19.000 0.148 0.000 1.066 108 A HN 0.709 nan 8.150 nan 0.000 0.492 109 V N 1.326 121.247 119.914 0.011 0.000 2.427 109 V HA 0.641 4.761 4.120 -0.000 0.000 0.286 109 V C 0.473 176.503 176.094 -0.107 0.000 1.034 109 V CA -0.056 62.226 62.300 -0.030 0.000 0.893 109 V CB 1.081 32.892 31.823 -0.020 0.000 0.982 109 V HN 1.157 nan 8.190 nan 0.000 0.452 110 A N 5.260 127.967 122.820 -0.188 0.000 2.356 110 A HA 0.823 5.142 4.320 -0.000 0.000 0.310 110 A C -1.047 176.298 177.584 -0.399 0.000 1.075 110 A CA -0.536 51.237 52.037 -0.440 0.000 0.746 110 A CB 1.302 19.799 19.000 -0.838 0.000 1.221 110 A HN 0.889 nan 8.150 nan 0.000 0.443 111 L N 2.540 123.505 121.223 -0.430 0.000 2.280 111 L HA 0.452 4.792 4.340 -0.000 0.000 0.287 111 L C -0.922 175.742 176.870 -0.344 0.000 1.023 111 L CA -0.459 54.149 54.840 -0.387 0.000 0.819 111 L CB 1.018 42.777 42.059 -0.500 0.000 1.212 111 L HN 0.711 nan 8.230 nan 0.000 0.420 112 D N 4.088 124.392 120.400 -0.161 0.000 2.427 112 D HA 0.135 4.775 4.640 -0.000 0.000 0.226 112 D C -0.204 176.135 176.300 0.066 0.000 1.076 112 D CA -0.222 53.789 54.000 0.019 0.000 0.849 112 D CB 1.387 42.275 40.800 0.147 0.000 1.052 112 D HN 0.607 nan 8.370 nan 0.000 0.515 113 T N 1.095 115.673 114.554 0.039 0.000 2.940 113 T HA 0.013 4.363 4.350 -0.000 0.000 0.309 113 T C 1.346 176.132 174.700 0.143 0.000 1.056 113 T CA -0.285 61.853 62.100 0.062 0.000 1.137 113 T CB 1.715 70.615 68.868 0.053 0.000 0.976 113 T HN 0.414 nan 8.240 nan 0.000 0.547 114 K N 2.683 123.175 120.400 0.153 0.000 2.032 114 K HA -0.003 4.317 4.320 -0.000 0.000 0.209 114 K C 1.403 178.091 176.600 0.146 0.000 1.048 114 K CA 1.403 57.775 56.287 0.142 0.000 0.927 114 K CB -1.128 31.433 32.500 0.102 0.000 0.712 114 K HN 1.146 nan 8.250 nan 0.000 0.441 115 G N 0.320 109.192 108.800 0.119 0.000 2.645 115 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 115 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 115 G C -2.527 172.371 174.900 -0.004 0.000 1.331 115 G CA -0.105 45.065 45.100 0.115 0.000 0.890 115 G HN 0.284 nan 8.290 nan 0.000 0.572 116 P HA 0.334 nan 4.420 nan 0.000 0.247 116 P C -0.551 176.446 177.300 -0.506 0.000 1.756 116 P CA 0.247 63.181 63.100 -0.277 0.000 1.117 116 P CB 0.246 31.779 31.700 -0.278 0.000 1.869 117 E N 2.411 122.416 120.200 -0.324 0.000 2.174 117 E HA 0.359 4.709 4.350 -0.000 0.000 0.282 117 E C 0.085 176.531 176.600 -0.257 0.000 0.992 117 E CA -0.839 55.376 56.400 -0.308 0.000 0.803 117 E CB 1.366 30.992 29.700 -0.123 0.000 1.090 117 E HN 0.382 nan 8.360 nan 0.000 0.396 118 I N 3.534 123.934 120.570 -0.284 0.000 2.365 118 I HA 0.335 4.505 4.170 -0.000 0.000 0.291 118 I C 0.437 176.487 176.117 -0.111 0.000 1.004 118 I CA -0.201 60.975 61.300 -0.208 0.000 1.311 118 I CB 0.693 38.559 38.000 -0.224 0.000 1.401 118 I HN 0.291 nan 8.210 nan 0.000 0.491 119 R N 2.842 123.288 120.500 -0.092 0.000 2.808 119 R HA 0.492 4.832 4.340 -0.000 0.000 0.272 119 R C -0.383 175.892 176.300 -0.042 0.000 0.995 119 R CA -0.752 55.331 56.100 -0.029 0.000 0.917 119 R CB 2.539 32.847 30.300 0.013 0.000 1.217 119 R HN 0.763 nan 8.270 nan 0.000 0.471 120 T N -1.520 113.058 114.554 0.040 0.000 2.771 120 T HA 0.560 4.910 4.350 -0.000 0.000 0.290 120 T C 0.735 175.604 174.700 0.282 0.000 1.005 120 T CA -0.312 61.857 62.100 0.115 0.000 0.944 120 T CB 1.294 70.237 68.868 0.126 0.000 1.147 120 T HN 0.608 nan 8.240 nan 0.000 0.534 121 G N -0.516 108.540 108.800 0.427 0.000 3.039 121 G HA2 0.582 4.542 3.960 -0.000 0.000 0.159 121 G HA3 0.582 4.542 3.960 -0.000 0.000 0.159 121 G C -0.606 174.415 174.900 0.202 0.000 1.284 121 G CA -1.126 44.203 45.100 0.383 0.000 0.996 121 G HN 0.675 nan 8.290 nan 0.000 0.592 131 V N 0.830 120.846 119.914 0.170 0.000 3.167 131 V HA 0.401 4.521 4.120 -0.000 0.000 0.293 131 V C -1.796 174.397 176.094 0.165 0.000 1.379 131 V CA -0.422 61.967 62.300 0.150 0.000 1.019 131 V CB 2.241 34.123 31.823 0.099 0.000 1.115 131 V HN 0.712 nan 8.190 nan 0.000 0.442 132 E N 3.419 123.671 120.200 0.086 0.000 2.199 132 E HA 0.637 4.987 4.350 -0.000 0.000 0.269 132 E C -1.810 174.781 176.600 -0.014 0.000 0.899 132 E CA -0.775 55.618 56.400 -0.012 0.000 0.772 132 E CB 1.818 31.439 29.700 -0.132 0.000 1.155 132 E HN 0.521 nan 8.360 nan 0.000 0.408 133 L N 4.590 125.798 121.223 -0.026 0.000 2.335 133 L HA 0.326 4.666 4.340 -0.000 0.000 0.268 133 L C -0.428 176.422 176.870 -0.032 0.000 1.037 133 L CA -0.277 54.554 54.840 -0.015 0.000 0.895 133 L CB 0.713 42.774 42.059 0.004 0.000 1.266 133 L HN 0.457 nan 8.230 nan 0.000 0.439 134 K N 1.854 122.233 120.400 -0.036 0.000 2.355 134 K HA 0.115 4.435 4.320 -0.000 0.000 0.270 134 K C 0.337 176.922 176.600 -0.025 0.000 1.003 134 K CA -0.312 55.953 56.287 -0.038 0.000 0.957 134 K CB 0.912 33.391 32.500 -0.035 0.000 0.939 134 K HN 0.300 nan 8.250 nan 0.000 0.482 135 K N 0.839 121.224 120.400 -0.024 0.000 2.489 135 K HA -0.078 4.242 4.320 -0.000 0.000 0.278 135 K C 0.821 177.413 176.600 -0.014 0.000 1.000 135 K CA 1.145 57.423 56.287 -0.016 0.000 1.012 135 K CB 0.140 32.632 32.500 -0.014 0.000 0.903 135 K HN 0.796 nan 8.250 nan 0.000 0.485 136 G N 1.891 110.683 108.800 -0.013 0.000 2.253 136 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.251 136 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.251 136 G C 0.163 175.056 174.900 -0.012 0.000 0.998 136 G CA 0.156 45.248 45.100 -0.012 0.000 0.621 136 G HN 0.960 nan 8.290 nan 0.000 0.524 137 A N 0.340 123.153 122.820 -0.012 0.000 2.445 137 A HA 0.620 4.940 4.320 -0.000 0.000 0.242 137 A C 0.782 178.360 177.584 -0.009 0.000 1.075 137 A CA 1.391 53.422 52.037 -0.009 0.000 0.777 137 A CB 0.426 19.420 19.000 -0.009 0.000 1.013 137 A HN 1.509 nan 8.150 nan 0.000 0.493 138 T N 2.002 116.552 114.554 -0.007 0.000 2.780 138 T HA 0.477 4.827 4.350 -0.000 0.000 0.294 138 T C -0.578 174.118 174.700 -0.006 0.000 0.949 138 T CA -0.217 61.879 62.100 -0.007 0.000 1.074 138 T CB -0.421 68.445 68.868 -0.003 0.000 0.910 138 T HN 0.828 nan 8.240 nan 0.000 0.501 139 L N 4.930 126.148 121.223 -0.008 0.000 2.406 139 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 139 L C -0.511 176.353 176.870 -0.009 0.000 0.980 139 L CA -0.761 54.075 54.840 -0.008 0.000 0.831 139 L CB 1.548 43.605 42.059 -0.003 0.000 1.253 139 L HN 0.616 nan 8.230 nan 0.000 0.406 140 K N 5.883 126.276 120.400 -0.012 0.000 2.258 140 K HA 0.462 4.782 4.320 -0.000 0.000 0.284 140 K C -0.930 175.661 176.600 -0.015 0.000 1.051 140 K CA -0.482 55.803 56.287 -0.005 0.000 0.923 140 K CB 0.784 33.285 32.500 0.001 0.000 1.046 140 K HN 0.701 nan 8.250 nan 0.000 0.474 141 I N 3.422 123.988 120.570 -0.007 0.000 2.342 141 I HA 0.097 4.267 4.170 -0.000 0.000 0.291 141 I C 0.369 176.491 176.117 0.009 0.000 1.010 141 I CA -0.192 61.102 61.300 -0.010 0.000 1.308 141 I CB 1.738 39.721 38.000 -0.029 0.000 1.400 141 I HN 0.620 nan 8.210 nan 0.000 0.488 142 T N 5.949 120.516 114.554 0.022 0.000 2.907 142 T HA 0.523 4.873 4.350 -0.000 0.000 0.292 142 T C 0.479 175.253 174.700 0.124 0.000 1.043 142 T CA -0.531 61.614 62.100 0.075 0.000 1.003 142 T CB 1.266 70.151 68.868 0.029 0.000 1.084 142 T HN 0.467 nan 8.240 nan 0.000 0.483 143 L N 1.733 123.041 121.223 0.142 0.000 2.607 143 L HA 0.326 4.666 4.340 -0.000 0.000 0.228 143 L C 0.972 178.083 176.870 0.403 0.000 1.123 143 L CA -0.064 54.864 54.840 0.148 0.000 0.890 143 L CB 0.185 42.272 42.059 0.048 0.000 1.103 143 L HN 0.594 nan 8.230 nan 0.000 0.468 144 D N 1.100 121.751 120.400 0.420 0.000 2.382 144 D HA -0.060 4.580 4.640 -0.000 0.000 0.259 144 D C 0.690 177.218 176.300 0.381 0.000 1.224 144 D CA 0.186 54.419 54.000 0.388 0.000 0.894 144 D CB 0.749 41.797 40.800 0.414 0.000 1.127 144 D HN 0.137 nan 8.370 nan 0.000 0.487 145 N N 2.720 121.540 118.700 0.200 0.000 2.520 145 N HA -0.115 4.624 4.740 -0.000 0.000 0.185 145 N C 1.354 176.712 175.510 -0.254 0.000 1.068 145 N CA 0.317 53.334 53.050 -0.055 0.000 0.911 145 N CB 0.191 38.691 38.487 0.022 0.000 0.961 145 N HN 0.463 nan 8.380 nan 0.000 0.446 146 A N -0.111 122.600 122.820 -0.183 0.000 2.014 146 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 146 A C 1.103 178.453 177.584 -0.390 0.000 1.163 146 A CA 0.694 52.544 52.037 -0.312 0.000 0.652 146 A CB -0.500 18.276 19.000 -0.375 0.000 0.808 146 A HN 0.263 nan 8.150 nan 0.000 0.449 147 Y N -1.044 119.156 120.300 -0.167 0.000 2.462 147 Y HA 0.198 4.748 4.550 -0.000 0.000 0.293 147 Y C 1.960 177.700 175.900 -0.267 0.000 1.195 147 Y CA 0.202 58.227 58.100 -0.125 0.000 1.276 147 Y CB -0.491 37.981 38.460 0.019 0.000 1.082 147 Y HN 0.296 nan 8.280 nan 0.000 0.514 148 M N -0.074 119.232 119.600 -0.491 0.000 2.195 148 M HA -0.258 4.222 4.480 -0.000 0.000 0.260 148 M C 0.888 176.961 176.300 -0.379 0.000 1.066 148 M CA 2.039 56.809 55.300 -0.885 0.000 1.089 148 M CB 0.134 32.163 32.600 -0.952 0.000 1.377 148 M HN 0.310 nan 8.290 nan 0.000 0.411 149 E N -1.456 118.621 120.200 -0.204 0.000 2.562 149 E HA 0.075 4.425 4.350 -0.000 0.000 0.214 149 E C -0.197 176.388 176.600 -0.024 0.000 0.979 149 E CA 0.038 56.382 56.400 -0.094 0.000 1.002 149 E CB 0.659 30.299 29.700 -0.100 0.000 1.048 149 E HN 0.312 nan 8.360 nan 0.000 0.488 150 K N 1.092 121.496 120.400 0.007 0.000 3.122 150 K HA 0.272 4.592 4.320 -0.000 0.000 0.193 150 K C -0.967 175.706 176.600 0.121 0.000 1.141 150 K CA -0.321 56.001 56.287 0.058 0.000 0.975 150 K CB 0.613 33.142 32.500 0.049 0.000 1.173 150 K HN -0.026 nan 8.250 nan 0.000 0.546 151 C N 1.800 121.169 119.300 0.115 0.000 2.651 151 C HA 0.136 4.595 4.460 -0.000 0.000 0.410 151 C C 0.706 175.755 174.990 0.099 0.000 1.372 151 C CA -0.107 58.990 59.018 0.131 0.000 1.707 151 C CB -0.685 27.142 27.740 0.146 0.000 2.501 151 C HN 0.570 nan 8.230 nan 0.000 0.598 152 D N 1.183 121.634 120.400 0.086 0.000 2.449 152 D HA 0.254 4.894 4.640 -0.000 0.000 0.250 152 D C 0.826 177.155 176.300 0.048 0.000 1.050 152 D CA -0.550 53.488 54.000 0.064 0.000 1.024 152 D CB 0.977 41.813 40.800 0.060 0.000 1.218 152 D HN 0.516 nan 8.370 nan 0.000 0.566 153 E N -0.244 119.980 120.200 0.040 0.000 2.204 153 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 153 E C 0.695 177.305 176.600 0.017 0.000 0.990 153 E CA 1.401 57.819 56.400 0.031 0.000 0.821 153 E CB 0.048 29.764 29.700 0.027 0.000 0.750 153 E HN 0.320 nan 8.360 nan 0.000 0.477 154 N N -1.003 117.702 118.700 0.009 0.000 2.397 154 N HA 0.204 4.944 4.740 -0.000 0.000 0.190 154 N C -0.322 175.170 175.510 -0.030 0.000 1.099 154 N CA 0.174 53.219 53.050 -0.007 0.000 0.876 154 N CB 1.017 39.498 38.487 -0.009 0.000 1.143 154 N HN 0.014 nan 8.380 nan 0.000 0.468 155 I N 1.410 121.954 120.570 -0.043 0.000 2.411 155 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 155 I C -1.349 174.742 176.117 -0.043 0.000 1.012 155 I CA -0.797 60.433 61.300 -0.117 0.000 1.119 155 I CB 1.756 39.583 38.000 -0.287 0.000 1.261 155 I HN -0.081 nan 8.210 nan 0.000 0.448 156 L N 7.114 128.333 121.223 -0.008 0.000 2.325 156 L HA 0.548 4.888 4.340 -0.000 0.000 0.281 156 L C -1.274 175.679 176.870 0.138 0.000 1.004 156 L CA -0.161 54.725 54.840 0.077 0.000 0.823 156 L CB 1.434 43.525 42.059 0.054 0.000 1.236 156 L HN 0.608 nan 8.230 nan 0.000 0.415 157 W N 7.348 128.663 121.300 0.025 0.000 2.438 157 W HA 0.645 5.305 4.660 -0.000 0.000 0.324 157 W C -1.544 175.007 176.519 0.054 0.000 1.119 157 W CA -0.651 56.724 57.345 0.051 0.000 1.221 157 W CB 1.352 30.870 29.460 0.096 0.000 1.253 157 W HN 0.503 nan 8.180 nan 0.000 0.555 158 L N 2.624 123.350 121.223 -0.829 0.000 2.393 158 L HA 0.537 4.877 4.340 -0.000 0.000 0.260 158 L C -0.026 176.030 176.870 -1.355 0.000 1.002 158 L CA -0.922 53.372 54.840 -0.911 0.000 0.818 158 L CB 1.856 43.706 42.059 -0.348 0.000 1.369 158 L HN 0.545 nan 8.230 nan 0.000 0.412 159 D N -1.083 118.737 120.400 -0.967 0.000 2.325 159 D HA -0.021 4.619 4.640 -0.000 0.000 0.234 159 D C -0.165 176.033 176.300 -0.169 0.000 1.122 159 D CA 0.237 53.883 54.000 -0.589 0.000 0.850 159 D CB -0.238 40.427 40.800 -0.224 0.000 0.921 159 D HN 0.503 nan 8.370 nan 0.000 0.513 160 Y N 2.114 122.222 120.300 -0.321 0.000 2.804 160 Y HA 0.265 4.815 4.550 -0.000 0.000 0.330 160 Y C 0.878 176.690 175.900 -0.147 0.000 1.092 160 Y CA -1.813 56.173 58.100 -0.189 0.000 1.315 160 Y CB 0.338 38.693 38.460 -0.174 0.000 1.188 160 Y HN -0.258 nan 8.280 nan 0.000 0.512 161 K N 2.502 122.857 120.400 -0.076 0.000 2.127 161 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 161 K C 0.354 176.786 176.600 -0.281 0.000 1.047 161 K CA 1.735 57.945 56.287 -0.129 0.000 0.927 161 K CB -0.063 32.421 32.500 -0.026 0.000 0.716 161 K HN 0.599 nan 8.250 nan 0.000 0.450 162 N N 0.645 119.045 118.700 -0.501 0.000 2.276 162 N HA 0.127 4.867 4.740 -0.000 0.000 0.212 162 N C 1.238 176.262 175.510 -0.809 0.000 1.127 162 N CA -0.078 52.666 53.050 -0.510 0.000 0.834 162 N CB 0.090 38.415 38.487 -0.269 0.000 1.014 162 N HN 0.137 nan 8.380 nan 0.000 0.491 163 I N -0.105 119.811 120.570 -1.089 0.000 2.151 163 I HA -0.385 3.785 4.170 -0.000 0.000 0.243 163 I C 0.906 176.817 176.117 -0.344 0.000 1.080 163 I CA 1.399 62.234 61.300 -0.774 0.000 1.339 163 I CB 0.043 37.804 38.000 -0.399 0.000 1.039 163 I HN 0.209 nan 8.210 nan 0.000 0.409 164 C N 1.516 120.649 119.300 -0.278 0.000 2.466 164 C HA -0.026 4.434 4.460 -0.000 0.000 0.283 164 C C 2.191 177.085 174.990 -0.160 0.000 1.472 164 C CA 0.252 59.154 59.018 -0.194 0.000 1.765 164 C CB -1.475 26.157 27.740 -0.179 0.000 1.724 164 C HN 0.453 nan 8.230 nan 0.000 0.560 165 K N 0.003 120.300 120.400 -0.172 0.000 2.393 165 K HA 0.168 4.488 4.320 -0.000 0.000 0.193 165 K C 1.133 177.687 176.600 -0.077 0.000 1.026 165 K CA 0.488 56.707 56.287 -0.114 0.000 1.064 165 K CB 0.392 32.827 32.500 -0.109 0.000 0.833 165 K HN 0.390 nan 8.250 nan 0.000 0.521 166 V N 1.023 120.892 119.914 -0.075 0.000 3.440 166 V HA 0.059 4.179 4.120 -0.000 0.000 0.301 166 V C -0.570 175.511 176.094 -0.021 0.000 1.555 166 V CA -0.347 61.938 62.300 -0.025 0.000 1.095 166 V CB 1.097 32.937 31.823 0.028 0.000 0.936 166 V HN -0.009 nan 8.190 nan 0.000 0.452 167 V N -1.547 118.337 119.914 -0.050 0.000 2.769 167 V HA 0.812 4.932 4.120 -0.000 0.000 0.312 167 V C -0.930 175.124 176.094 -0.066 0.000 1.058 167 V CA -0.514 61.756 62.300 -0.050 0.000 0.952 167 V CB 2.059 33.849 31.823 -0.055 0.000 1.019 167 V HN 0.206 nan 8.190 nan 0.000 0.445 168 D N 0.903 121.267 120.400 -0.060 0.000 2.552 168 D HA 0.382 5.021 4.640 -0.000 0.000 0.239 168 D C -0.720 175.542 176.300 -0.064 0.000 1.139 168 D CA -0.516 53.447 54.000 -0.063 0.000 0.914 168 D CB 2.478 43.248 40.800 -0.049 0.000 1.461 168 D HN 0.488 nan 8.370 nan 0.000 0.462 169 V N 1.418 121.294 119.914 -0.064 0.000 2.450 169 V HA 0.344 4.464 4.120 -0.000 0.000 0.264 169 V C 1.390 177.455 176.094 -0.049 0.000 0.996 169 V CA 1.676 63.941 62.300 -0.058 0.000 1.138 169 V CB -0.318 31.473 31.823 -0.054 0.000 1.051 169 V HN 1.010 nan 8.190 nan 0.000 0.470 170 G N 3.567 112.336 108.800 -0.052 0.000 3.345 170 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.199 170 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.199 170 G C 0.362 175.230 174.900 -0.054 0.000 1.057 170 G CA -0.084 44.988 45.100 -0.046 0.000 0.865 170 G HN 0.953 nan 8.290 nan 0.000 0.449 171 S N 1.459 117.126 115.700 -0.056 0.000 2.560 171 S HA 0.550 5.020 4.470 -0.000 0.000 0.284 171 S C 0.016 174.561 174.600 -0.092 0.000 1.327 171 S CA 0.122 58.286 58.200 -0.060 0.000 1.055 171 S CB 1.530 64.701 63.200 -0.049 0.000 0.868 171 S HN 0.504 nan 8.310 nan 0.000 0.506 172 K N 1.292 121.618 120.400 -0.124 0.000 2.123 172 K HA 0.580 4.900 4.320 -0.000 0.000 0.259 172 K C -1.177 175.271 176.600 -0.255 0.000 0.960 172 K CA -0.892 55.252 56.287 -0.238 0.000 0.872 172 K CB 1.703 33.975 32.500 -0.380 0.000 1.079 172 K HN 0.473 nan 8.250 nan 0.000 0.440 173 V N 3.405 123.146 119.914 -0.288 0.000 2.409 173 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 173 V C -1.060 174.887 176.094 -0.246 0.000 1.020 173 V CA -0.878 61.312 62.300 -0.183 0.000 0.848 173 V CB 0.558 32.326 31.823 -0.091 0.000 0.990 173 V HN 0.605 nan 8.190 nan 0.000 0.430 174 Y N 3.139 123.447 120.300 0.014 0.000 2.361 174 Y HA 0.705 5.255 4.550 -0.000 0.000 0.332 174 Y C 0.113 176.027 175.900 0.023 0.000 1.101 174 Y CA -0.709 57.403 58.100 0.020 0.000 1.137 174 Y CB 2.075 40.551 38.460 0.027 0.000 1.207 174 Y HN 0.387 nan 8.280 nan 0.000 0.463 175 V N 2.000 122.037 119.914 0.205 0.000 2.760 175 V HA 0.296 4.416 4.120 -0.000 0.000 0.309 175 V C -1.047 175.121 176.094 0.124 0.000 1.077 175 V CA -1.222 61.154 62.300 0.128 0.000 0.910 175 V CB 1.710 33.584 31.823 0.086 0.000 1.008 175 V HN 0.845 nan 8.190 nan 0.000 0.424 176 D N 3.545 124.008 120.400 0.105 0.000 4.353 176 D HA -0.142 4.498 4.640 -0.000 0.000 0.242 176 D C 0.179 176.530 176.300 0.086 0.000 1.063 176 D CA 0.924 54.982 54.000 0.096 0.000 1.224 176 D CB -0.597 40.262 40.800 0.097 0.000 0.831 176 D HN 0.932 nan 8.370 nan 0.000 0.405 177 D N 2.376 122.822 120.400 0.076 0.000 2.713 177 D HA -0.124 4.516 4.640 -0.000 0.000 0.231 177 D C 1.396 177.711 176.300 0.024 0.000 1.173 177 D CA 2.517 56.548 54.000 0.052 0.000 0.628 177 D CB -1.282 39.546 40.800 0.046 0.000 1.033 177 D HN 1.136 nan 8.370 nan 0.000 0.419 178 G N -1.481 107.340 108.800 0.035 0.000 2.233 178 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.270 178 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.270 178 G C 1.086 176.005 174.900 0.031 0.000 1.011 178 G CA 0.731 45.816 45.100 -0.025 0.000 0.762 178 G HN 0.534 nan 8.290 nan 0.000 0.511 179 L N -0.897 120.373 121.223 0.079 0.000 2.131 179 L HA 0.306 4.646 4.340 -0.000 0.000 0.206 179 L C 1.546 178.485 176.870 0.116 0.000 1.087 179 L CA 0.844 55.733 54.840 0.081 0.000 0.767 179 L CB 0.023 42.127 42.059 0.075 0.000 0.917 179 L HN 0.329 nan 8.230 nan 0.000 0.441 180 I N -0.201 120.455 120.570 0.143 0.000 2.339 180 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 180 I C -0.051 176.165 176.117 0.164 0.000 0.994 180 I CA -0.356 61.019 61.300 0.124 0.000 1.191 180 I CB 1.420 39.471 38.000 0.085 0.000 1.343 180 I HN 0.002 nan 8.210 nan 0.000 0.458 181 S N 7.154 122.919 115.700 0.108 0.000 2.475 181 S HA 0.836 5.306 4.470 -0.000 0.000 0.298 181 S C -0.634 173.910 174.600 -0.093 0.000 1.119 181 S CA -0.783 57.397 58.200 -0.034 0.000 1.085 181 S CB 1.685 64.884 63.200 -0.002 0.000 1.028 181 S HN 0.472 nan 8.310 nan 0.000 0.489 182 L N 1.499 122.617 121.223 -0.176 0.000 2.279 182 L HA 0.688 5.028 4.340 -0.000 0.000 0.262 182 L C -0.282 176.492 176.870 -0.161 0.000 1.019 182 L CA -0.706 54.059 54.840 -0.125 0.000 0.823 182 L CB 2.096 44.101 42.059 -0.089 0.000 1.358 182 L HN 0.732 nan 8.230 nan 0.000 0.432 183 Q N 0.181 119.915 119.800 -0.109 0.000 2.309 183 Q HA 0.400 4.740 4.340 -0.000 0.000 0.273 183 Q C -1.721 174.232 176.000 -0.079 0.000 1.040 183 Q CA -0.668 55.073 55.803 -0.104 0.000 0.834 183 Q CB 2.828 31.513 28.738 -0.088 0.000 1.345 183 Q HN 0.398 nan 8.270 nan 0.000 0.414 184 V N 5.218 125.084 119.914 -0.080 0.000 2.446 184 V HA 0.024 4.144 4.120 -0.000 0.000 0.276 184 V C 0.735 176.791 176.094 -0.063 0.000 1.030 184 V CA 0.372 62.628 62.300 -0.074 0.000 1.033 184 V CB 0.685 32.459 31.823 -0.081 0.000 0.993 184 V HN 0.716 nan 8.190 nan 0.000 0.477 185 K N 3.105 123.471 120.400 -0.056 0.000 2.244 185 K HA 0.258 4.578 4.320 -0.000 0.000 0.200 185 K C 0.522 177.092 176.600 -0.051 0.000 1.052 185 K CA 0.623 56.883 56.287 -0.045 0.000 0.980 185 K CB 0.465 32.946 32.500 -0.031 0.000 0.838 185 K HN 0.670 nan 8.250 nan 0.000 0.481 186 Q N -0.128 119.633 119.800 -0.065 0.000 2.416 186 Q HA 0.339 4.679 4.340 -0.000 0.000 0.281 186 Q C -1.237 174.658 176.000 -0.174 0.000 1.067 186 Q CA -0.572 55.182 55.803 -0.082 0.000 0.809 186 Q CB 2.920 31.641 28.738 -0.030 0.000 1.418 186 Q HN -0.213 nan 8.270 nan 0.000 0.411 192 L N 4.640 125.847 121.223 -0.027 0.000 2.366 192 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 192 L C -0.666 176.187 176.870 -0.028 0.000 1.010 192 L CA -1.090 53.692 54.840 -0.096 0.000 0.879 192 L CB 1.690 43.691 42.059 -0.096 0.000 1.228 192 L HN 0.653 nan 8.230 nan 0.000 0.439 193 V N 2.460 122.366 119.914 -0.014 0.000 2.439 193 V HA 0.268 4.388 4.120 -0.000 0.000 0.271 193 V C 0.693 176.773 176.094 -0.023 0.000 1.040 193 V CA 0.032 62.337 62.300 0.009 0.000 1.002 193 V CB 0.813 32.658 31.823 0.037 0.000 1.000 193 V HN 0.824 nan 8.190 nan 0.000 0.477 194 T N 1.871 116.412 114.554 -0.022 0.000 2.901 194 T HA 0.790 5.140 4.350 -0.000 0.000 0.293 194 T C -0.756 173.928 174.700 -0.027 0.000 1.084 194 T CA -0.980 61.099 62.100 -0.034 0.000 1.008 194 T CB 2.395 71.236 68.868 -0.045 0.000 1.170 194 T HN 0.767 nan 8.240 nan 0.000 0.509 195 E N 0.282 120.462 120.200 -0.033 0.000 2.277 195 E HA 0.657 5.007 4.350 -0.000 0.000 0.266 195 E C -1.233 175.348 176.600 -0.032 0.000 0.901 195 E CA -1.260 55.124 56.400 -0.027 0.000 0.782 195 E CB 1.931 31.617 29.700 -0.023 0.000 1.228 195 E HN 0.431 nan 8.360 nan 0.000 0.424 196 V N 2.466 122.366 119.914 -0.024 0.000 2.465 196 V HA 0.106 4.226 4.120 -0.000 0.000 0.279 196 V C 0.589 176.672 176.094 -0.019 0.000 1.045 196 V CA -0.112 62.175 62.300 -0.021 0.000 0.938 196 V CB 0.962 32.777 31.823 -0.013 0.000 0.986 196 V HN 0.873 nan 8.190 nan 0.000 0.467 197 E N 2.376 122.565 120.200 -0.018 0.000 2.207 197 E HA 0.174 4.524 4.350 -0.000 0.000 0.197 197 E C 0.204 176.810 176.600 0.010 0.000 0.914 197 E CA 0.088 56.484 56.400 -0.007 0.000 0.914 197 E CB 0.411 30.103 29.700 -0.013 0.000 0.893 197 E HN 0.645 nan 8.360 nan 0.000 0.479 198 N N 1.074 119.790 118.700 0.026 0.000 2.424 198 N HA 0.227 4.967 4.740 -0.000 0.000 0.271 198 N C -0.207 175.317 175.510 0.024 0.000 0.985 198 N CA -0.171 52.901 53.050 0.037 0.000 0.921 198 N CB 2.017 40.549 38.487 0.075 0.000 1.149 198 N HN 0.041 nan 8.380 nan 0.000 0.492 199 G N 0.444 109.245 108.800 0.002 0.000 2.546 199 G HA2 0.646 4.606 3.960 -0.000 0.000 0.239 199 G HA3 0.646 4.606 3.960 -0.000 0.000 0.239 199 G C 0.163 175.046 174.900 -0.028 0.000 1.476 199 G CA 0.139 45.226 45.100 -0.022 0.000 1.064 199 G HN 0.741 nan 8.290 nan 0.000 0.561 200 G N -2.841 105.906 108.800 -0.088 0.000 2.497 200 G HA2 0.247 4.207 3.960 -0.000 0.000 0.686 200 G HA3 0.247 4.207 3.960 -0.000 0.000 0.686 200 G C -0.458 174.383 174.900 -0.097 0.000 1.288 200 G CA -0.700 44.324 45.100 -0.127 0.000 0.899 200 G HN 0.617 nan 8.290 nan 0.000 0.608 201 F N -0.642 119.326 119.950 0.029 0.000 2.589 201 F HA 0.494 5.021 4.527 -0.000 0.000 0.352 201 F C 0.901 176.722 175.800 0.035 0.000 1.168 201 F CA 0.582 58.600 58.000 0.030 0.000 1.353 201 F CB 0.926 39.942 39.000 0.027 0.000 1.116 201 F HN 0.586 nan 8.300 nan 0.000 0.608 202 L N 2.320 123.699 121.223 0.259 0.000 2.482 202 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 202 L C -0.375 176.575 176.870 0.132 0.000 0.967 202 L CA -0.111 54.825 54.840 0.160 0.000 0.851 202 L CB 1.292 43.423 42.059 0.120 0.000 1.242 202 L HN 0.581 nan 8.230 nan 0.000 0.404 203 G N 2.196 111.058 108.800 0.104 0.000 2.557 203 G HA2 0.534 4.494 3.960 -0.000 0.000 0.302 203 G HA3 0.534 4.494 3.960 -0.000 0.000 0.302 203 G C -0.834 174.115 174.900 0.082 0.000 1.311 203 G CA -0.680 44.465 45.100 0.074 0.000 1.030 203 G HN 0.637 nan 8.290 nan 0.000 0.509 204 S N -0.598 115.146 115.700 0.073 0.000 2.565 204 S HA 0.322 4.792 4.470 -0.000 0.000 0.276 204 S C 0.490 175.154 174.600 0.107 0.000 1.326 204 S CA -0.105 58.149 58.200 0.090 0.000 1.045 204 S CB 1.072 64.316 63.200 0.074 0.000 0.918 204 S HN 0.639 nan 8.310 nan 0.000 0.505 205 K N 0.667 121.145 120.400 0.131 0.000 3.125 205 K HA -0.133 4.186 4.320 -0.000 0.000 0.268 205 K C -0.776 175.907 176.600 0.138 0.000 1.078 205 K CA 0.568 56.941 56.287 0.145 0.000 0.775 205 K CB -0.978 31.616 32.500 0.156 0.000 1.253 205 K HN 0.380 nan 8.250 nan 0.000 0.486 206 K N -0.191 120.280 120.400 0.118 0.000 2.098 206 K HA 0.436 4.756 4.320 -0.000 0.000 0.257 206 K C 0.902 177.558 176.600 0.093 0.000 0.999 206 K CA 0.125 56.477 56.287 0.108 0.000 0.924 206 K CB 0.844 33.403 32.500 0.098 0.000 1.028 206 K HN 0.310 nan 8.250 nan 0.000 0.466 207 G N 0.069 108.926 108.800 0.094 0.000 2.415 207 G HA2 0.412 4.372 3.960 -0.000 0.000 0.269 207 G HA3 0.412 4.372 3.960 -0.000 0.000 0.269 207 G C -0.778 174.164 174.900 0.069 0.000 1.209 207 G CA -0.461 44.686 45.100 0.078 0.000 0.835 207 G HN 0.214 nan 8.290 nan 0.000 0.534 208 V N 3.289 123.225 119.914 0.036 0.000 2.448 208 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 208 V C -0.340 175.775 176.094 0.034 0.000 1.025 208 V CA -1.054 61.269 62.300 0.039 0.000 0.859 208 V CB 1.550 33.376 31.823 0.004 0.000 0.988 208 V HN 0.729 nan 8.190 nan 0.000 0.431 209 N N 4.817 123.580 118.700 0.104 0.000 2.362 209 N HA 0.586 5.326 4.740 -0.000 0.000 0.298 209 N C -1.144 174.445 175.510 0.132 0.000 1.048 209 N CA -0.530 52.593 53.050 0.121 0.000 0.858 209 N CB 2.719 41.311 38.487 0.175 0.000 1.218 209 N HN 0.479 nan 8.380 nan 0.000 0.488 210 L N 2.973 124.245 121.223 0.082 0.000 2.435 210 L HA 0.398 4.738 4.340 -0.000 0.000 0.253 210 L C -2.421 174.505 176.870 0.092 0.000 1.087 210 L CA -1.714 53.172 54.840 0.077 0.000 0.950 210 L CB 0.917 43.008 42.059 0.054 0.000 1.304 210 L HN 0.170 nan 8.230 nan 0.000 0.453 211 P HA 0.167 nan 4.420 nan 0.000 0.271 211 P C 0.843 178.182 177.300 0.064 0.000 1.216 211 P CA 0.232 63.407 63.100 0.124 0.000 0.776 211 P CB 1.064 32.880 31.700 0.194 0.000 0.881 212 G N 1.393 110.208 108.800 0.025 0.000 2.295 212 G HA2 0.025 3.984 3.960 -0.000 0.000 0.287 212 G HA3 0.025 3.984 3.960 -0.000 0.000 0.287 212 G C 0.052 174.947 174.900 -0.009 0.000 1.055 212 G CA 0.074 45.159 45.100 -0.025 0.000 0.922 212 G HN 0.841 nan 8.290 nan 0.000 0.503 213 A N -0.772 122.056 122.820 0.013 0.000 2.408 213 A HA 0.949 5.269 4.320 -0.000 0.000 0.295 213 A C 0.289 177.891 177.584 0.030 0.000 1.040 213 A CA 0.380 52.429 52.037 0.020 0.000 0.707 213 A CB 1.379 20.399 19.000 0.034 0.000 1.235 213 A HN 2.066 nan 8.150 nan 0.000 0.418 214 A N 2.557 125.393 122.820 0.028 0.000 2.981 214 A HA 0.466 4.786 4.320 -0.000 0.000 0.280 214 A C 0.294 177.910 177.584 0.053 0.000 1.797 214 A CA -0.033 52.024 52.037 0.033 0.000 1.456 214 A CB -1.127 17.889 19.000 0.025 0.000 1.057 214 A HN 1.148 nan 8.150 nan 0.000 0.602 215 V N 3.590 123.528 119.914 0.040 0.000 2.450 215 V HA -0.038 4.082 4.120 -0.000 0.000 0.281 215 V C 1.259 177.371 176.094 0.031 0.000 1.019 215 V CA 0.611 62.930 62.300 0.031 0.000 1.062 215 V CB 0.437 32.182 31.823 -0.130 0.000 0.979 215 V HN 0.947 nan 8.190 nan 0.000 0.477 216 D N 4.260 124.732 120.400 0.121 0.000 2.349 216 D HA -0.023 4.617 4.640 -0.000 0.000 0.224 216 D C 0.627 176.961 176.300 0.057 0.000 1.029 216 D CA -0.076 53.977 54.000 0.090 0.000 0.879 216 D CB 0.330 41.194 40.800 0.107 0.000 0.906 216 D HN 0.448 nan 8.370 nan 0.000 0.528 217 L N 2.022 123.245 121.223 -0.001 0.000 2.483 217 L HA 0.135 4.475 4.340 -0.000 0.000 0.276 217 L C -1.626 175.225 176.870 -0.031 0.000 1.213 217 L CA -1.367 53.449 54.840 -0.041 0.000 0.843 217 L CB -0.059 41.886 42.059 -0.190 0.000 1.107 217 L HN -0.093 nan 8.230 nan 0.000 0.487 218 P HA 0.045 nan 4.420 nan 0.000 0.271 218 P C 0.037 177.336 177.300 -0.001 0.000 1.216 218 P CA -0.275 62.827 63.100 0.003 0.000 0.776 218 P CB 1.145 32.852 31.700 0.013 0.000 0.881 219 A N 3.694 126.523 122.820 0.015 0.000 1.865 219 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 219 A C 0.931 178.536 177.584 0.035 0.000 1.191 219 A CA 1.545 53.600 52.037 0.029 0.000 0.623 219 A CB -0.785 18.234 19.000 0.032 0.000 0.826 219 A HN 0.461 nan 8.150 nan 0.000 0.444 220 V N 0.786 120.719 119.914 0.031 0.000 2.407 220 V HA 0.477 4.597 4.120 -0.000 0.000 0.291 220 V C 0.208 176.320 176.094 0.031 0.000 1.018 220 V CA -0.240 62.081 62.300 0.035 0.000 0.842 220 V CB 1.000 32.844 31.823 0.036 0.000 0.996 220 V HN 0.583 nan 8.190 nan 0.000 0.426 221 S N 2.847 118.566 115.700 0.031 0.000 2.738 221 S HA 0.335 4.805 4.470 -0.000 0.000 0.284 221 S C 1.125 175.747 174.600 0.038 0.000 1.146 221 S CA 0.016 58.234 58.200 0.030 0.000 0.997 221 S CB 1.155 64.369 63.200 0.023 0.000 1.081 221 S HN 0.866 nan 8.310 nan 0.000 0.553 222 E N 0.326 120.547 120.200 0.036 0.000 2.209 222 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 222 E C 1.818 178.447 176.600 0.048 0.000 0.993 222 E CA 1.224 57.647 56.400 0.039 0.000 0.819 222 E CB -0.252 29.467 29.700 0.032 0.000 0.745 222 E HN 0.716 nan 8.360 nan 0.000 0.477 223 K N 0.958 121.389 120.400 0.053 0.000 2.044 223 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 223 K C 1.661 178.325 176.600 0.106 0.000 1.049 223 K CA 1.545 57.878 56.287 0.077 0.000 0.945 223 K CB 0.064 32.608 32.500 0.073 0.000 0.724 223 K HN 0.004 nan 8.250 nan 0.000 0.440 224 D N 1.147 121.596 120.400 0.082 0.000 2.123 224 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 224 D C 1.994 178.332 176.300 0.064 0.000 0.992 224 D CA 1.279 55.322 54.000 0.072 0.000 0.833 224 D CB -0.202 40.630 40.800 0.054 0.000 0.954 224 D HN 0.321 nan 8.370 nan 0.000 0.455 225 I N 0.853 121.461 120.570 0.063 0.000 2.163 225 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 225 I C 2.549 178.720 176.117 0.091 0.000 1.085 225 I CA 1.255 62.592 61.300 0.062 0.000 1.347 225 I CB -0.279 37.753 38.000 0.053 0.000 1.044 225 I HN -0.024 nan 8.210 nan 0.000 0.408 226 Q N 0.428 120.299 119.800 0.118 0.000 2.084 226 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 226 Q C 1.805 177.989 176.000 0.306 0.000 0.978 226 Q CA 1.737 57.651 55.803 0.184 0.000 0.844 226 Q CB -0.073 28.747 28.738 0.137 0.000 0.898 226 Q HN 0.490 nan 8.270 nan 0.000 0.426 227 D N 0.300 120.854 120.400 0.257 0.000 2.144 227 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 227 D C 1.843 178.137 176.300 -0.010 0.000 0.978 227 D CA 0.805 54.897 54.000 0.153 0.000 0.833 227 D CB -0.109 40.752 40.800 0.102 0.000 0.961 227 D HN 0.197 nan 8.370 nan 0.000 0.470 228 L N 0.577 121.798 121.223 -0.004 0.000 2.027 228 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 228 L C 2.359 179.231 176.870 0.003 0.000 1.074 228 L CA 0.991 55.807 54.840 -0.040 0.000 0.745 228 L CB -0.307 41.742 42.059 -0.017 0.000 0.898 228 L HN -0.063 nan 8.230 nan 0.000 0.433 229 K N -0.232 120.209 120.400 0.069 0.000 2.103 229 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 229 K C 2.050 178.717 176.600 0.112 0.000 1.048 229 K CA 1.590 57.928 56.287 0.086 0.000 0.930 229 K CB -0.565 32.004 32.500 0.115 0.000 0.716 229 K HN 0.197 nan 8.250 nan 0.000 0.444 230 F N 1.398 121.357 119.950 0.015 0.000 2.234 230 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 230 F C 2.026 177.779 175.800 -0.077 0.000 1.087 230 F CA 1.414 59.411 58.000 -0.005 0.000 1.340 230 F CB -0.420 38.548 39.000 -0.053 0.000 1.031 230 F HN 0.017 nan 8.300 nan 0.000 0.500 231 G N 0.002 108.700 108.800 -0.170 0.000 2.402 231 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 231 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 231 G C 1.736 176.508 174.900 -0.214 0.000 1.162 231 G CA 1.098 46.037 45.100 -0.269 0.000 0.777 231 G HN 0.316 nan 8.290 nan 0.000 0.539 232 V N 0.925 120.760 119.914 -0.132 0.000 2.255 232 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 232 V C 2.674 178.700 176.094 -0.113 0.000 1.051 232 V CA 2.284 64.529 62.300 -0.090 0.000 1.018 232 V CB -0.626 31.172 31.823 -0.041 0.000 0.641 232 V HN 0.467 nan 8.190 nan 0.000 0.445 233 E N -0.349 119.769 120.200 -0.137 0.000 2.118 233 E HA -0.234 4.115 4.350 -0.000 0.000 0.195 233 E C 2.078 178.550 176.600 -0.214 0.000 0.992 233 E CA 1.019 57.332 56.400 -0.145 0.000 0.804 233 E CB -0.133 29.498 29.700 -0.115 0.000 0.741 233 E HN 0.518 nan 8.360 nan 0.000 0.458 234 Q N 0.519 120.109 119.800 -0.350 0.000 2.365 234 Q HA -0.040 4.300 4.340 -0.000 0.000 0.203 234 Q C -0.246 175.650 176.000 -0.174 0.000 0.929 234 Q CA 0.287 55.897 55.803 -0.320 0.000 0.948 234 Q CB 0.201 28.641 28.738 -0.497 0.000 1.043 234 Q HN 0.178 nan 8.270 nan 0.000 0.505 235 D N 0.036 120.356 120.400 -0.134 0.000 2.708 235 D HA -0.151 4.489 4.640 -0.000 0.000 0.236 235 D C -0.208 176.051 176.300 -0.069 0.000 1.146 235 D CA 0.600 54.553 54.000 -0.077 0.000 0.662 235 D CB -1.214 39.559 40.800 -0.047 0.000 1.059 235 D HN 0.189 nan 8.370 nan 0.000 0.428 236 V N -2.739 117.113 119.914 -0.104 0.000 2.924 236 V HA 0.273 4.393 4.120 -0.000 0.000 0.305 236 V C 1.371 177.428 176.094 -0.061 0.000 1.073 236 V CA 0.277 62.519 62.300 -0.096 0.000 1.098 236 V CB 1.371 33.103 31.823 -0.151 0.000 1.000 236 V HN 0.003 nan 8.190 nan 0.000 0.484 237 D N 2.653 123.026 120.400 -0.045 0.000 2.277 237 D HA 0.161 4.801 4.640 -0.000 0.000 0.209 237 D C 0.685 176.980 176.300 -0.008 0.000 0.970 237 D CA 1.420 55.418 54.000 -0.003 0.000 0.874 237 D CB 0.386 41.206 40.800 0.034 0.000 0.982 237 D HN 0.812 nan 8.370 nan 0.000 0.504 238 M N -0.846 118.715 119.600 -0.065 0.000 2.569 238 M HA 0.534 5.014 4.480 -0.000 0.000 0.279 238 M C -1.496 174.713 176.300 -0.152 0.000 1.253 238 M CA -0.975 54.298 55.300 -0.046 0.000 0.867 238 M CB 3.114 35.757 32.600 0.072 0.000 1.727 238 M HN -0.441 nan 8.290 nan 0.000 0.467 239 V N 2.755 122.649 119.914 -0.033 0.000 2.378 239 V HA 0.475 4.595 4.120 -0.000 0.000 0.288 239 V C -1.266 174.951 176.094 0.205 0.000 1.016 239 V CA -0.370 61.904 62.300 -0.045 0.000 0.840 239 V CB 1.535 33.339 31.823 -0.032 0.000 0.994 239 V HN 0.647 nan 8.190 nan 0.000 0.431 240 F N 3.880 123.809 119.950 -0.035 0.000 2.368 240 F HA 0.627 5.154 4.527 -0.000 0.000 0.362 240 F C 0.749 176.539 175.800 -0.016 0.000 1.137 240 F CA -1.566 56.420 58.000 -0.023 0.000 1.161 240 F CB 0.726 39.718 39.000 -0.013 0.000 1.265 240 F HN 0.500 nan 8.300 nan 0.000 0.530 241 A N 2.648 125.564 122.820 0.159 0.000 2.269 241 A HA 0.541 4.861 4.320 -0.000 0.000 0.302 241 A C 0.399 178.034 177.584 0.086 0.000 1.266 241 A CA -0.407 51.689 52.037 0.098 0.000 0.894 241 A CB 0.172 19.212 19.000 0.068 0.000 1.147 241 A HN 0.570 nan 8.150 nan 0.000 0.537 242 S N 1.251 117.023 115.700 0.120 0.000 2.564 242 S HA 0.415 4.885 4.470 -0.000 0.000 0.278 242 S C -0.060 174.683 174.600 0.238 0.000 1.333 242 S CA 0.053 58.338 58.200 0.141 0.000 1.048 242 S CB -0.411 62.968 63.200 0.298 0.000 0.900 242 S HN 0.777 nan 8.310 nan 0.000 0.505 243 F N -0.041 119.917 119.950 0.014 0.000 3.091 243 F HA -0.166 4.361 4.527 -0.000 0.000 0.288 243 F C 0.285 176.085 175.800 0.001 0.000 0.907 243 F CA -0.253 57.748 58.000 0.003 0.000 1.028 243 F CB -1.498 37.497 39.000 -0.009 0.000 1.022 243 F HN 0.419 nan 8.300 nan 0.000 0.665 244 I N 1.384 122.006 120.570 0.087 0.000 2.664 244 I HA -0.046 4.124 4.170 -0.000 0.000 0.284 244 I C 1.500 177.645 176.117 0.047 0.000 1.154 244 I CA 0.838 62.169 61.300 0.052 0.000 1.402 244 I CB 0.703 38.711 38.000 0.014 0.000 1.395 244 I HN 0.388 nan 8.210 nan 0.000 0.545 245 R N 5.279 125.806 120.500 0.046 0.000 2.191 245 R HA 0.146 4.486 4.340 -0.000 0.000 0.196 245 R C 0.107 176.413 176.300 0.011 0.000 0.991 245 R CA 0.221 56.346 56.100 0.043 0.000 1.075 245 R CB 0.476 30.810 30.300 0.057 0.000 1.040 245 R HN 0.588 nan 8.270 nan 0.000 0.526 246 K N -1.059 119.332 120.400 -0.015 0.000 2.482 246 K HA 0.574 4.894 4.320 -0.000 0.000 0.257 246 K C 0.163 176.696 176.600 -0.111 0.000 0.969 246 K CA -0.296 55.960 56.287 -0.051 0.000 0.842 246 K CB 1.841 34.319 32.500 -0.037 0.000 1.359 246 K HN -0.147 nan 8.250 nan 0.000 0.441 247 A N 1.305 124.023 122.820 -0.170 0.000 1.986 247 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 247 A C 2.168 179.457 177.584 -0.492 0.000 1.171 247 A CA 2.359 54.200 52.037 -0.328 0.000 0.640 247 A CB -1.067 17.733 19.000 -0.334 0.000 0.811 247 A HN 0.870 nan 8.150 nan 0.000 0.451 248 A N -0.147 122.508 122.820 -0.275 0.000 1.969 248 A HA -0.123 4.196 4.320 -0.000 0.000 0.218 248 A C 1.676 179.225 177.584 -0.060 0.000 1.169 248 A CA 1.734 53.686 52.037 -0.141 0.000 0.635 248 A CB -0.474 18.509 19.000 -0.028 0.000 0.810 248 A HN 0.468 nan 8.150 nan 0.000 0.445 249 D N -0.056 120.307 120.400 -0.062 0.000 2.117 249 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 249 D C 2.042 178.335 176.300 -0.012 0.000 0.987 249 D CA 1.470 55.460 54.000 -0.016 0.000 0.829 249 D CB -0.446 40.352 40.800 -0.004 0.000 0.961 249 D HN 0.262 nan 8.370 nan 0.000 0.460 250 V N 0.646 120.520 119.914 -0.066 0.000 2.307 250 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 250 V C 1.985 178.118 176.094 0.065 0.000 1.045 250 V CA 1.651 63.933 62.300 -0.030 0.000 1.024 250 V CB -0.861 30.910 31.823 -0.086 0.000 0.651 250 V HN 0.361 nan 8.190 nan 0.000 0.449 251 H N -0.205 118.864 119.070 -0.001 0.000 2.489 251 H HA -0.138 4.418 4.556 -0.000 0.000 0.295 251 H C 2.358 177.689 175.328 0.006 0.000 1.082 251 H CA 1.287 57.336 56.048 0.000 0.000 1.295 251 H CB 0.237 29.998 29.762 -0.002 0.000 1.380 251 H HN 0.570 nan 8.280 nan 0.000 0.548 252 E N 0.241 120.513 120.200 0.119 0.000 2.060 252 E HA -0.091 4.259 4.350 -0.000 0.000 0.189 252 E C 2.396 179.029 176.600 0.055 0.000 0.974 252 E CA 0.767 57.211 56.400 0.073 0.000 0.808 252 E CB 0.211 29.943 29.700 0.053 0.000 0.768 252 E HN 0.178 nan 8.360 nan 0.000 0.453 253 V N 1.465 121.409 119.914 0.051 0.000 2.324 253 V HA -0.278 3.842 4.120 -0.000 0.000 0.250 253 V C 2.359 178.476 176.094 0.038 0.000 1.060 253 V CA 1.863 64.187 62.300 0.039 0.000 1.042 253 V CB -0.493 31.352 31.823 0.036 0.000 0.650 253 V HN 0.186 nan 8.190 nan 0.000 0.450 254 R N -0.276 120.256 120.500 0.053 0.000 2.235 254 R HA -0.100 4.240 4.340 -0.000 0.000 0.213 254 R C 2.358 178.676 176.300 0.031 0.000 1.059 254 R CA 0.929 57.056 56.100 0.045 0.000 0.997 254 R CB -0.067 30.269 30.300 0.061 0.000 0.884 254 R HN 0.487 nan 8.270 nan 0.000 0.462 255 K N 0.438 120.860 120.400 0.036 0.000 2.098 255 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 255 K C 1.785 178.399 176.600 0.023 0.000 1.051 255 K CA 0.694 56.996 56.287 0.025 0.000 0.957 255 K CB 0.192 32.710 32.500 0.031 0.000 0.738 255 K HN 0.065 nan 8.250 nan 0.000 0.447 256 I N 1.722 122.308 120.570 0.026 0.000 2.315 256 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 256 I C 2.245 178.373 176.117 0.017 0.000 1.117 256 I CA 0.768 62.083 61.300 0.024 0.000 1.404 256 I CB -0.983 37.033 38.000 0.027 0.000 1.071 256 I HN 0.158 nan 8.210 nan 0.000 0.419 257 L N 0.655 121.886 121.223 0.013 0.000 2.083 257 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 257 L C 1.644 178.518 176.870 0.007 0.000 1.083 257 L CA 1.542 56.385 54.840 0.005 0.000 0.752 257 L CB -1.372 40.689 42.059 0.004 0.000 0.899 257 L HN 0.469 nan 8.230 nan 0.000 0.433 258 G N -0.866 107.940 108.800 0.010 0.000 2.641 258 G HA2 -0.453 3.507 3.960 -0.000 0.000 0.254 258 G HA3 -0.453 3.507 3.960 -0.000 0.000 0.254 258 G C 0.775 175.678 174.900 0.006 0.000 1.315 258 G CA 0.605 45.711 45.100 0.009 0.000 0.907 258 G HN 0.342 nan 8.290 nan 0.000 0.572 259 E N -0.087 120.116 120.200 0.006 0.000 2.033 259 E HA -0.151 4.199 4.350 -0.000 0.000 0.199 259 E C 2.369 178.972 176.600 0.005 0.000 1.011 259 E CA 2.280 58.684 56.400 0.005 0.000 0.815 259 E CB -0.249 29.454 29.700 0.005 0.000 0.755 259 E HN 0.536 nan 8.360 nan 0.000 0.451 260 K N -1.005 119.397 120.400 0.004 0.000 2.280 260 K HA -0.046 4.274 4.320 -0.000 0.000 0.202 260 K C 0.878 177.477 176.600 -0.002 0.000 1.047 260 K CA 1.152 57.439 56.287 0.001 0.000 0.942 260 K CB -0.102 32.398 32.500 -0.000 0.000 0.739 260 K HN 0.258 nan 8.250 nan 0.000 0.457 261 G N 1.301 110.100 108.800 -0.001 0.000 4.222 261 G HA2 0.029 3.989 3.960 -0.000 0.000 0.301 261 G HA3 0.029 3.989 3.960 -0.000 0.000 0.301 261 G C 0.546 175.449 174.900 0.005 0.000 1.171 261 G CA -0.456 44.642 45.100 -0.004 0.000 0.937 261 G HN 0.250 nan 8.290 nan 0.000 0.557 262 K N -0.844 119.562 120.400 0.010 0.000 2.486 262 K HA 0.094 4.413 4.320 -0.000 0.000 0.194 262 K C 0.695 177.311 176.600 0.026 0.000 1.033 262 K CA 0.290 56.587 56.287 0.016 0.000 1.004 262 K CB 0.162 32.671 32.500 0.014 0.000 0.798 262 K HN 0.050 nan 8.250 nan 0.000 0.495 263 N N 0.949 119.666 118.700 0.027 0.000 2.205 263 N HA 0.186 4.926 4.740 -0.000 0.000 0.201 263 N C -0.219 175.316 175.510 0.042 0.000 1.128 263 N CA -0.005 53.069 53.050 0.041 0.000 0.867 263 N CB 0.522 39.034 38.487 0.042 0.000 0.996 263 N HN 0.198 nan 8.380 nan 0.000 0.503 264 I N 1.965 122.551 120.570 0.027 0.000 2.396 264 I HA 0.037 4.207 4.170 -0.000 0.000 0.289 264 I C 0.391 176.528 176.117 0.033 0.000 1.056 264 I CA -0.378 60.934 61.300 0.020 0.000 1.365 264 I CB 0.565 38.560 38.000 -0.007 0.000 1.407 264 I HN -0.360 nan 8.210 nan 0.000 0.509 265 K N 7.485 127.914 120.400 0.049 0.000 2.350 265 K HA 0.405 4.725 4.320 -0.000 0.000 0.279 265 K C -0.359 176.280 176.600 0.064 0.000 1.027 265 K CA -0.103 56.221 56.287 0.061 0.000 0.969 265 K CB 1.161 33.705 32.500 0.073 0.000 0.954 265 K HN 0.527 nan 8.250 nan 0.000 0.474 266 I N 4.515 125.119 120.570 0.057 0.000 2.339 266 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 266 I C -0.161 175.994 176.117 0.062 0.000 0.994 266 I CA -0.818 60.520 61.300 0.064 0.000 1.191 266 I CB 1.021 39.049 38.000 0.046 0.000 1.343 266 I HN 0.189 nan 8.210 nan 0.000 0.458 267 I N 5.272 125.909 120.570 0.113 0.000 2.328 267 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 267 I C 0.380 176.512 176.117 0.025 0.000 1.012 267 I CA -0.303 61.024 61.300 0.045 0.000 1.195 267 I CB 0.906 38.914 38.000 0.013 0.000 1.350 267 I HN 0.440 nan 8.210 nan 0.000 0.464 268 S N 6.390 122.081 115.700 -0.014 0.000 2.528 268 S HA 0.255 4.725 4.470 -0.000 0.000 0.277 268 S C 0.345 174.922 174.600 -0.038 0.000 1.297 268 S CA -0.516 57.676 58.200 -0.014 0.000 1.052 268 S CB 0.588 63.773 63.200 -0.025 0.000 0.917 268 S HN 0.356 nan 8.310 nan 0.000 0.492 269 K N 3.010 123.385 120.400 -0.042 0.000 2.268 269 K HA 0.296 4.616 4.320 -0.000 0.000 0.276 269 K C -0.564 175.972 176.600 -0.107 0.000 1.080 269 K CA -0.427 55.803 56.287 -0.095 0.000 0.910 269 K CB 0.481 32.919 32.500 -0.104 0.000 1.163 269 K HN 0.442 nan 8.250 nan 0.000 0.465 270 I N 4.693 125.211 120.570 -0.088 0.000 2.421 270 I HA -0.020 4.150 4.170 -0.000 0.000 0.291 270 I C 1.013 177.040 176.117 -0.150 0.000 1.089 270 I CA 0.651 61.903 61.300 -0.080 0.000 1.354 270 I CB 0.053 38.029 38.000 -0.041 0.000 1.413 270 I HN 0.792 nan 8.210 nan 0.000 0.513 271 E N 4.268 124.358 120.200 -0.183 0.000 2.744 271 E HA 0.134 4.484 4.350 -0.000 0.000 0.210 271 E C -0.552 175.971 176.600 -0.128 0.000 0.950 271 E CA -0.465 55.790 56.400 -0.241 0.000 1.282 271 E CB 0.275 29.676 29.700 -0.498 0.000 1.123 271 E HN 0.670 nan 8.360 nan 0.000 0.544 272 N N -0.645 118.033 118.700 -0.037 0.000 2.831 272 N HA 0.123 4.863 4.740 -0.000 0.000 0.276 272 N C 0.347 175.894 175.510 0.061 0.000 1.416 272 N CA -0.831 52.255 53.050 0.060 0.000 0.799 272 N CB 0.416 38.994 38.487 0.152 0.000 1.554 272 N HN -0.096 nan 8.380 nan 0.000 0.541 273 H N -0.257 118.823 119.070 0.015 0.000 2.387 273 H HA -0.016 4.539 4.556 -0.000 0.000 0.299 273 H C 0.731 176.064 175.328 0.009 0.000 1.090 273 H CA 1.853 57.903 56.048 0.003 0.000 1.332 273 H CB 0.392 30.160 29.762 0.009 0.000 1.386 273 H HN 0.693 nan 8.280 nan 0.000 0.516 274 E N -0.457 119.838 120.200 0.158 0.000 2.051 274 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 274 E C 2.358 178.984 176.600 0.045 0.000 0.991 274 E CA 0.807 57.268 56.400 0.102 0.000 0.799 274 E CB -0.268 29.490 29.700 0.096 0.000 0.748 274 E HN 0.584 nan 8.360 nan 0.000 0.449 275 G N 0.603 109.427 108.800 0.040 0.000 2.442 275 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 275 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 275 G C 1.671 176.605 174.900 0.056 0.000 1.141 275 G CA 0.923 46.049 45.100 0.043 0.000 0.763 275 G HN 0.152 nan 8.290 nan 0.000 0.554 276 V N 0.294 120.184 119.914 -0.040 0.000 2.407 276 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 276 V C 2.858 178.907 176.094 -0.076 0.000 1.041 276 V CA 1.496 63.730 62.300 -0.109 0.000 1.040 276 V CB -0.413 31.263 31.823 -0.244 0.000 0.671 276 V HN 0.276 nan 8.190 nan 0.000 0.455 277 R N 0.222 120.659 120.500 -0.106 0.000 2.105 277 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 277 R C 1.557 177.867 176.300 0.017 0.000 1.135 277 R CA 1.208 57.279 56.100 -0.048 0.000 0.967 277 R CB -0.140 30.166 30.300 0.010 0.000 0.861 277 R HN 0.430 nan 8.270 nan 0.000 0.442 278 R N -0.523 120.000 120.500 0.038 0.000 2.700 278 R HA 0.076 4.415 4.340 -0.000 0.000 0.377 278 R C 0.721 177.043 176.300 0.038 0.000 1.130 278 R CA -0.331 55.786 56.100 0.029 0.000 1.055 278 R CB 0.201 30.506 30.300 0.009 0.000 1.387 278 R HN 0.100 nan 8.270 nan 0.000 0.580 279 F N 1.969 121.879 119.950 -0.067 0.000 2.126 279 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 279 F C 1.508 177.271 175.800 -0.062 0.000 1.096 279 F CA 1.763 59.721 58.000 -0.071 0.000 1.255 279 F CB 0.201 39.151 39.000 -0.083 0.000 0.997 279 F HN 0.017 nan 8.300 nan 0.000 0.479 280 D N 0.577 120.873 120.400 -0.174 0.000 2.092 280 D HA -0.254 4.386 4.640 -0.000 0.000 0.193 280 D C 2.188 178.318 176.300 -0.284 0.000 0.994 280 D CA 1.967 55.812 54.000 -0.258 0.000 0.828 280 D CB -0.699 40.063 40.800 -0.064 0.000 0.963 280 D HN 0.692 nan 8.370 nan 0.000 0.450 281 E N 0.681 120.772 120.200 -0.182 0.000 2.153 281 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 281 E C 2.309 178.783 176.600 -0.209 0.000 0.988 281 E CA 0.698 57.004 56.400 -0.156 0.000 0.811 281 E CB -0.476 29.162 29.700 -0.104 0.000 0.746 281 E HN 0.281 nan 8.360 nan 0.000 0.466 282 I N 0.632 121.048 120.570 -0.257 0.000 2.315 282 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 282 I C 2.479 178.411 176.117 -0.309 0.000 1.117 282 I CA 0.661 61.809 61.300 -0.253 0.000 1.404 282 I CB -0.112 37.772 38.000 -0.193 0.000 1.071 282 I HN 0.188 nan 8.210 nan 0.000 0.419 283 L N 0.554 121.474 121.223 -0.505 0.000 2.109 283 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 283 L C 2.444 179.171 176.870 -0.237 0.000 1.086 283 L CA 1.758 56.328 54.840 -0.449 0.000 0.760 283 L CB -0.714 40.910 42.059 -0.724 0.000 0.910 283 L HN 0.133 nan 8.230 nan 0.000 0.437 284 E N 0.355 120.433 120.200 -0.205 0.000 2.118 284 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 284 E C 1.881 178.451 176.600 -0.050 0.000 0.992 284 E CA 1.504 57.842 56.400 -0.103 0.000 0.804 284 E CB -0.040 29.612 29.700 -0.081 0.000 0.741 284 E HN 0.607 nan 8.360 nan 0.000 0.458 285 A N -0.040 122.743 122.820 -0.061 0.000 2.195 285 A HA 0.138 4.458 4.320 -0.000 0.000 0.210 285 A C 1.154 178.744 177.584 0.009 0.000 1.165 285 A CA 0.137 52.184 52.037 0.017 0.000 0.806 285 A CB 0.234 19.195 19.000 -0.064 0.000 0.847 285 A HN 0.133 nan 8.150 nan 0.000 0.482 286 S N 0.313 115.985 115.700 -0.046 0.000 2.651 286 S HA 0.344 4.814 4.470 -0.000 0.000 0.291 286 S C -0.215 174.371 174.600 -0.024 0.000 1.141 286 S CA -0.590 57.591 58.200 -0.033 0.000 1.027 286 S CB 1.221 64.384 63.200 -0.062 0.000 1.043 286 S HN 0.334 nan 8.310 nan 0.000 0.530 287 D N 0.666 121.062 120.400 -0.007 0.000 2.347 287 D HA 0.265 4.905 4.640 -0.000 0.000 0.213 287 D C 0.854 177.127 176.300 -0.045 0.000 0.985 287 D CA 0.601 54.599 54.000 -0.003 0.000 0.879 287 D CB 0.213 41.027 40.800 0.023 0.000 0.919 287 D HN 0.671 nan 8.370 nan 0.000 0.526 288 G N -0.281 108.482 108.800 -0.062 0.000 2.356 288 G HA2 0.410 4.370 3.960 -0.000 0.000 0.294 288 G HA3 0.410 4.370 3.960 -0.000 0.000 0.294 288 G C -1.816 173.034 174.900 -0.082 0.000 1.423 288 G CA -0.691 44.351 45.100 -0.097 0.000 0.806 288 G HN -0.090 nan 8.290 nan 0.000 0.527 289 I N 0.406 120.924 120.570 -0.086 0.000 2.785 289 I HA 0.648 4.818 4.170 -0.000 0.000 0.302 289 I C -0.177 175.854 176.117 -0.143 0.000 1.069 289 I CA -0.965 60.302 61.300 -0.055 0.000 1.045 289 I CB 2.032 40.090 38.000 0.097 0.000 1.236 289 I HN 0.689 nan 8.210 nan 0.000 0.429 290 M N 4.470 123.974 119.600 -0.161 0.000 2.326 290 M HA 0.460 4.940 4.480 -0.000 0.000 0.306 290 M C -1.501 174.709 176.300 -0.151 0.000 1.054 290 M CA -0.732 54.438 55.300 -0.217 0.000 0.922 290 M CB 1.880 34.280 32.600 -0.334 0.000 1.632 290 M HN 0.251 nan 8.290 nan 0.000 0.436 291 V N 4.792 124.620 119.914 -0.143 0.000 2.313 291 V HA 0.277 4.397 4.120 -0.000 0.000 0.252 291 V C 0.717 176.734 176.094 -0.127 0.000 1.112 291 V CA -0.466 61.755 62.300 -0.133 0.000 0.984 291 V CB -0.224 31.524 31.823 -0.126 0.000 1.157 291 V HN 0.860 nan 8.190 nan 0.000 0.493 292 A N 5.471 128.206 122.820 -0.142 0.000 2.906 292 A HA 0.262 4.582 4.320 -0.000 0.000 0.289 292 A C 1.529 179.039 177.584 -0.123 0.000 1.675 292 A CA -0.235 51.718 52.037 -0.140 0.000 1.372 292 A CB -0.448 18.437 19.000 -0.192 0.000 1.091 292 A HN 0.828 nan 8.150 nan 0.000 0.579 293 R N 1.447 121.894 120.500 -0.089 0.000 2.148 293 R HA -0.104 4.236 4.340 -0.000 0.000 0.227 293 R C 2.276 178.542 176.300 -0.055 0.000 1.103 293 R CA 1.135 57.194 56.100 -0.069 0.000 0.983 293 R CB -0.052 30.220 30.300 -0.048 0.000 0.874 293 R HN 0.710 nan 8.270 nan 0.000 0.451 294 G N 1.533 110.304 108.800 -0.048 0.000 2.511 294 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 294 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 294 G C 0.980 175.860 174.900 -0.033 0.000 1.218 294 G CA 1.031 46.114 45.100 -0.028 0.000 0.788 294 G HN 0.204 nan 8.290 nan 0.000 0.560 295 D N 0.045 120.413 120.400 -0.054 0.000 2.097 295 D HA -0.069 4.570 4.640 -0.000 0.000 0.197 295 D C 2.502 178.776 176.300 -0.043 0.000 0.984 295 D CA 0.608 54.586 54.000 -0.036 0.000 0.826 295 D CB -0.336 40.398 40.800 -0.110 0.000 0.973 295 D HN 0.146 nan 8.370 nan 0.000 0.460 296 L N 1.450 122.622 121.223 -0.084 0.000 2.021 296 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 296 L C 2.237 179.080 176.870 -0.045 0.000 1.074 296 L CA 2.195 56.995 54.840 -0.067 0.000 0.760 296 L CB -1.076 40.928 42.059 -0.092 0.000 0.889 296 L HN 0.063 nan 8.230 nan 0.000 0.433 297 G N -0.965 107.805 108.800 -0.050 0.000 2.501 297 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 297 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 297 G C 1.515 176.366 174.900 -0.081 0.000 1.114 297 G CA 1.167 46.237 45.100 -0.050 0.000 0.757 297 G HN 0.544 nan 8.290 nan 0.000 0.559 298 I N -0.474 120.044 120.570 -0.088 0.000 2.731 298 I HA 0.074 4.244 4.170 -0.000 0.000 0.260 298 I C 2.404 178.463 176.117 -0.097 0.000 1.138 298 I CA 0.314 61.513 61.300 -0.167 0.000 1.461 298 I CB -0.016 37.905 38.000 -0.132 0.000 1.128 298 I HN -0.022 nan 8.210 nan 0.000 0.438 299 E N 1.717 121.917 120.200 -0.001 0.000 2.072 299 E HA 0.011 4.360 4.350 -0.000 0.000 0.190 299 E C 0.891 177.531 176.600 0.068 0.000 0.982 299 E CA 0.854 57.292 56.400 0.063 0.000 0.803 299 E CB 0.036 29.791 29.700 0.092 0.000 0.755 299 E HN 0.543 nan 8.360 nan 0.000 0.453 300 I N -1.982 118.615 120.570 0.044 0.000 2.750 300 I HA 0.452 4.622 4.170 -0.000 0.000 0.308 300 I C -2.583 173.543 176.117 0.015 0.000 1.016 300 I CA -2.986 58.350 61.300 0.060 0.000 1.098 300 I CB 1.745 39.787 38.000 0.070 0.000 1.279 300 I HN -0.346 nan 8.210 nan 0.000 0.454 301 P HA 0.002 nan 4.420 nan 0.000 0.262 301 P C 0.367 177.669 177.300 0.004 0.000 1.182 301 P CA 0.268 63.376 63.100 0.012 0.000 0.761 301 P CB 0.936 32.653 31.700 0.028 0.000 0.795 302 A N 4.881 127.697 122.820 -0.006 0.000 1.978 302 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 302 A C 1.827 179.441 177.584 0.049 0.000 1.170 302 A CA 1.545 53.583 52.037 0.003 0.000 0.636 302 A CB -0.864 18.129 19.000 -0.012 0.000 0.810 302 A HN 0.667 nan 8.150 nan 0.000 0.448 303 E N 0.656 120.895 120.200 0.066 0.000 2.338 303 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 303 E C 1.181 177.904 176.600 0.205 0.000 1.007 303 E CA 1.347 57.827 56.400 0.134 0.000 0.849 303 E CB -0.304 29.461 29.700 0.109 0.000 0.774 303 E HN 0.672 nan 8.360 nan 0.000 0.506 304 K N 0.652 121.089 120.400 0.061 0.000 2.393 304 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 304 K C 1.948 178.441 176.600 -0.178 0.000 1.026 304 K CA 0.237 56.469 56.287 -0.092 0.000 1.064 304 K CB 0.565 33.013 32.500 -0.086 0.000 0.833 304 K HN -0.063 nan 8.250 nan 0.000 0.521 305 V N 1.794 121.691 119.914 -0.029 0.000 2.427 305 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 305 V C 2.010 178.067 176.094 -0.060 0.000 1.051 305 V CA 1.726 63.996 62.300 -0.051 0.000 1.048 305 V CB -0.671 31.148 31.823 -0.007 0.000 0.666 305 V HN 0.362 nan 8.190 nan 0.000 0.456 306 F N -0.178 119.736 119.950 -0.061 0.000 2.333 306 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 306 F C 1.818 177.574 175.800 -0.074 0.000 1.083 306 F CA 1.327 59.290 58.000 -0.062 0.000 1.395 306 F CB -0.929 38.044 39.000 -0.045 0.000 1.056 306 F HN 0.083 nan 8.300 nan 0.000 0.529 307 L N 0.676 121.327 121.223 -0.952 0.000 2.044 307 L HA -0.051 4.289 4.340 -0.000 0.000 0.205 307 L C 3.021 179.663 176.870 -0.380 0.000 1.075 307 L CA 1.135 55.542 54.840 -0.722 0.000 0.747 307 L CB -1.129 40.510 42.059 -0.699 0.000 0.903 307 L HN 0.314 nan 8.230 nan 0.000 0.435 308 A N -0.367 122.258 122.820 -0.325 0.000 1.858 308 A HA -0.310 4.010 4.320 -0.000 0.000 0.216 308 A C 2.215 179.640 177.584 -0.265 0.000 1.190 308 A CA 2.011 53.878 52.037 -0.284 0.000 0.617 308 A CB -0.765 18.087 19.000 -0.247 0.000 0.827 308 A HN 0.499 nan 8.150 nan 0.000 0.443 309 Q N -0.114 119.570 119.800 -0.193 0.000 2.012 309 Q HA -0.307 4.033 4.340 -0.000 0.000 0.211 309 Q C 2.050 177.961 176.000 -0.148 0.000 1.009 309 Q CA 2.569 58.285 55.803 -0.145 0.000 0.866 309 Q CB -0.242 28.457 28.738 -0.064 0.000 0.945 309 Q HN 0.674 nan 8.270 nan 0.000 0.414 310 K N -0.082 120.250 120.400 -0.113 0.000 2.032 310 K HA -0.186 4.133 4.320 -0.000 0.000 0.209 310 K C 2.262 178.780 176.600 -0.136 0.000 1.048 310 K CA 1.612 57.845 56.287 -0.089 0.000 0.927 310 K CB -0.356 32.120 32.500 -0.040 0.000 0.712 310 K HN 0.385 nan 8.250 nan 0.000 0.441 311 M N 1.414 120.902 119.600 -0.187 0.000 2.073 311 M HA -0.217 4.263 4.480 -0.000 0.000 0.258 311 M C 2.023 178.153 176.300 -0.283 0.000 1.070 311 M CA 1.847 57.017 55.300 -0.216 0.000 1.103 311 M CB -0.443 32.006 32.600 -0.252 0.000 1.321 311 M HN 0.146 nan 8.290 nan 0.000 0.405 312 I N 0.292 120.610 120.570 -0.420 0.000 2.142 312 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 312 I C 2.469 178.447 176.117 -0.232 0.000 1.078 312 I CA 1.402 62.346 61.300 -0.593 0.000 1.343 312 I CB -0.455 37.144 38.000 -0.668 0.000 1.046 312 I HN 0.297 nan 8.210 nan 0.000 0.405 313 I N 0.692 121.164 120.570 -0.162 0.000 2.248 313 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 313 I C 2.611 178.693 176.117 -0.058 0.000 1.107 313 I CA 1.714 62.964 61.300 -0.084 0.000 1.373 313 I CB -0.900 37.057 38.000 -0.072 0.000 1.055 313 I HN 0.341 nan 8.210 nan 0.000 0.418 314 G N 0.507 109.261 108.800 -0.076 0.000 2.446 314 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 314 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 314 G C 1.809 176.698 174.900 -0.019 0.000 1.168 314 G CA 0.531 45.598 45.100 -0.054 0.000 0.771 314 G HN 0.310 nan 8.290 nan 0.000 0.551 315 R N -0.702 119.808 120.500 0.017 0.000 2.090 315 R HA 0.002 4.342 4.340 -0.000 0.000 0.228 315 R C 2.698 179.068 176.300 0.116 0.000 1.110 315 R CA 1.052 57.218 56.100 0.110 0.000 0.973 315 R CB -0.576 29.893 30.300 0.281 0.000 0.869 315 R HN 0.385 nan 8.270 nan 0.000 0.440 316 C N 1.002 120.385 119.300 0.137 0.000 2.413 316 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 316 C C 2.250 177.244 174.990 0.007 0.000 1.265 316 C CA 0.513 59.574 59.018 0.073 0.000 1.752 316 C CB -1.055 26.724 27.740 0.064 0.000 1.998 316 C HN 0.496 nan 8.230 nan 0.000 0.489 317 N N 0.815 119.509 118.700 -0.010 0.000 2.069 317 N HA -0.101 4.639 4.740 -0.000 0.000 0.191 317 N C 1.896 177.364 175.510 -0.071 0.000 1.031 317 N CA 1.250 54.276 53.050 -0.041 0.000 0.852 317 N CB -0.414 38.048 38.487 -0.041 0.000 1.018 317 N HN 0.562 nan 8.380 nan 0.000 0.423 318 R N 0.267 120.738 120.500 -0.049 0.000 2.081 318 R HA 0.052 4.392 4.340 -0.000 0.000 0.235 318 R C 1.864 178.131 176.300 -0.054 0.000 1.131 318 R CA 1.296 57.362 56.100 -0.056 0.000 0.960 318 R CB -0.241 30.043 30.300 -0.027 0.000 0.856 318 R HN 0.175 nan 8.270 nan 0.000 0.436 319 A N 0.099 122.900 122.820 -0.031 0.000 2.169 319 A HA 0.177 4.497 4.320 -0.000 0.000 0.212 319 A C 1.469 179.040 177.584 -0.022 0.000 1.153 319 A CA 0.765 52.787 52.037 -0.024 0.000 0.756 319 A CB -0.128 18.858 19.000 -0.023 0.000 0.813 319 A HN 0.459 nan 8.150 nan 0.000 0.471 320 G N -0.511 108.266 108.800 -0.038 0.000 2.179 320 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.257 320 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.257 320 G C 0.110 175.048 174.900 0.063 0.000 1.010 320 G CA 0.783 45.876 45.100 -0.011 0.000 0.736 320 G HN 0.595 nan 8.290 nan 0.000 0.513 321 K N 0.406 120.817 120.400 0.019 0.000 2.123 321 K HA 0.484 4.804 4.320 -0.000 0.000 0.259 321 K C -2.498 174.046 176.600 -0.094 0.000 0.960 321 K CA -2.181 54.100 56.287 -0.011 0.000 0.872 321 K CB 1.567 34.050 32.500 -0.028 0.000 1.079 321 K HN -0.056 nan 8.250 nan 0.000 0.440 322 P HA -0.025 nan 4.420 nan 0.000 0.268 322 P C -1.101 176.087 177.300 -0.187 0.000 1.204 322 P CA -0.241 62.661 63.100 -0.331 0.000 0.768 322 P CB 0.707 32.066 31.700 -0.570 0.000 0.842 323 V N 5.449 125.276 119.914 -0.145 0.000 2.604 323 V HA 0.516 4.636 4.120 -0.000 0.000 0.305 323 V C -0.729 175.287 176.094 -0.129 0.000 1.043 323 V CA -0.877 61.355 62.300 -0.114 0.000 0.888 323 V CB 1.184 32.967 31.823 -0.067 0.000 0.995 323 V HN 0.291 nan 8.190 nan 0.000 0.429 324 I N 6.306 126.780 120.570 -0.159 0.000 2.404 324 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 324 I C -0.168 175.869 176.117 -0.132 0.000 0.992 324 I CA -0.344 60.858 61.300 -0.164 0.000 1.149 324 I CB 1.591 39.428 38.000 -0.271 0.000 1.315 324 I HN 0.605 nan 8.210 nan 0.000 0.446 325 C N 6.341 125.585 119.300 -0.093 0.000 2.307 325 C HA 0.846 5.306 4.460 -0.000 0.000 0.340 325 C C 0.444 175.394 174.990 -0.066 0.000 1.275 325 C CA -0.143 58.831 59.018 -0.074 0.000 1.811 325 C CB -0.569 27.142 27.740 -0.048 0.000 2.372 325 C HN 0.862 nan 8.230 nan 0.000 0.531 326 A N 4.648 127.427 122.820 -0.069 0.000 2.401 326 A HA 0.915 5.235 4.320 -0.000 0.000 0.310 326 A C -0.131 177.433 177.584 -0.033 0.000 1.075 326 A CA -0.120 51.885 52.037 -0.054 0.000 0.746 326 A CB 0.931 19.884 19.000 -0.078 0.000 1.277 326 A HN 1.437 nan 8.150 nan 0.000 0.425 327 T N 1.139 115.686 114.554 -0.012 0.000 0.571 327 T HA -0.098 4.252 4.350 -0.000 0.000 0.771 327 T C 0.143 174.844 174.700 0.002 0.000 0.992 327 T CA 0.642 62.742 62.100 -0.001 0.000 4.060 327 T CB -1.395 67.467 68.868 -0.010 0.000 2.294 327 T HN 1.581 nan 8.240 nan 0.000 0.396 328 Q N -0.219 119.588 119.800 0.012 0.000 2.406 328 Q HA -0.276 4.063 4.340 -0.000 0.000 0.236 328 Q C 1.646 177.653 176.000 0.011 0.000 0.799 328 Q CA 1.555 57.366 55.803 0.013 0.000 1.286 328 Q CB -1.159 27.584 28.738 0.009 0.000 1.615 328 Q HN 0.850 nan 8.270 nan 0.000 0.621 329 M N -0.447 119.159 119.600 0.010 0.000 2.149 329 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 329 M C 1.101 177.408 176.300 0.012 0.000 1.064 329 M CA 1.614 56.919 55.300 0.009 0.000 1.102 329 M CB 0.024 32.629 32.600 0.009 0.000 1.369 329 M HN 0.275 nan 8.290 nan 0.000 0.408 330 L N -0.831 120.403 121.223 0.019 0.000 3.193 330 L HA 0.179 4.519 4.340 -0.000 0.000 0.305 330 L C 1.082 177.969 176.870 0.029 0.000 1.299 330 L CA -0.399 54.454 54.840 0.022 0.000 0.904 330 L CB 0.330 42.405 42.059 0.027 0.000 1.331 330 L HN 0.037 nan 8.230 nan 0.000 0.588 331 E N 1.432 121.647 120.200 0.025 0.000 2.049 331 E HA -0.253 4.097 4.350 -0.000 0.000 0.198 331 E C 2.205 178.827 176.600 0.037 0.000 1.007 331 E CA 2.202 58.620 56.400 0.030 0.000 0.809 331 E CB 0.146 29.861 29.700 0.025 0.000 0.749 331 E HN 0.496 nan 8.360 nan 0.000 0.450 332 S N -0.308 115.411 115.700 0.031 0.000 2.440 332 S HA -0.218 4.252 4.470 -0.000 0.000 0.240 332 S C 1.880 176.512 174.600 0.054 0.000 1.014 332 S CA 1.435 59.656 58.200 0.036 0.000 0.980 332 S CB -0.440 62.773 63.200 0.022 0.000 0.775 332 S HN 0.326 nan 8.310 nan 0.000 0.499 333 M N 0.335 119.969 119.600 0.057 0.000 2.630 333 M HA 0.154 4.634 4.480 -0.000 0.000 0.254 333 M C 1.633 178.026 176.300 0.156 0.000 1.092 333 M CA 0.578 55.933 55.300 0.091 0.000 1.087 333 M CB -0.562 32.078 32.600 0.067 0.000 1.453 333 M HN 0.367 nan 8.290 nan 0.000 0.509 334 I N 0.391 121.025 120.570 0.107 0.000 2.208 334 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 334 I C 2.122 178.309 176.117 0.117 0.000 1.097 334 I CA 1.339 62.694 61.300 0.092 0.000 1.363 334 I CB -0.159 37.873 38.000 0.054 0.000 1.051 334 I HN 0.195 nan 8.210 nan 0.000 0.413 335 K N 0.394 120.877 120.400 0.138 0.000 2.374 335 K HA 0.270 4.590 4.320 -0.000 0.000 0.202 335 K C -0.132 176.637 176.600 0.280 0.000 1.040 335 K CA 0.240 56.622 56.287 0.159 0.000 1.085 335 K CB 0.721 33.275 32.500 0.089 0.000 0.873 335 K HN 0.229 nan 8.250 nan 0.000 0.539 336 K N 0.673 121.228 120.400 0.258 0.000 2.422 336 K HA 0.236 4.556 4.320 -0.000 0.000 0.251 336 K C -2.219 174.220 176.600 -0.268 0.000 0.933 336 K CA -1.779 54.541 56.287 0.055 0.000 0.798 336 K CB 2.494 34.996 32.500 0.003 0.000 1.238 336 K HN -0.309 nan 8.250 nan 0.000 0.428 337 P HA -0.010 nan 4.420 nan 0.000 0.241 337 P C -0.504 176.581 177.300 -0.359 0.000 1.191 337 P CA 0.491 63.015 63.100 -0.959 0.000 0.771 337 P CB 0.550 31.627 31.700 -1.038 0.000 0.929 338 R N 0.534 120.902 120.500 -0.220 0.000 2.686 338 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 338 R C -2.679 173.581 176.300 -0.067 0.000 0.978 338 R CA -2.388 53.643 56.100 -0.115 0.000 0.897 338 R CB 1.265 31.508 30.300 -0.094 0.000 1.192 338 R HN 0.011 nan 8.270 nan 0.000 0.457 339 P HA 0.061 nan 4.420 nan 0.000 0.274 339 P C -0.003 177.286 177.300 -0.019 0.000 1.246 339 P CA -0.216 62.872 63.100 -0.019 0.000 0.795 339 P CB 0.458 32.151 31.700 -0.011 0.000 1.006 340 T N -0.735 113.812 114.554 -0.011 0.000 2.766 340 T HA 0.167 4.517 4.350 -0.000 0.000 0.295 340 T C 1.519 176.211 174.700 -0.014 0.000 1.024 340 T CA -0.578 61.515 62.100 -0.012 0.000 1.018 340 T CB 0.431 69.295 68.868 -0.008 0.000 1.002 340 T HN 0.196 nan 8.240 nan 0.000 0.532 341 R N 0.992 121.483 120.500 -0.016 0.000 2.096 341 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 341 R C 2.703 178.992 176.300 -0.018 0.000 1.127 341 R CA 1.566 57.656 56.100 -0.018 0.000 0.968 341 R CB -1.838 28.451 30.300 -0.019 0.000 0.861 341 R HN 0.861 nan 8.270 nan 0.000 0.440 342 A N 1.220 124.030 122.820 -0.017 0.000 1.972 342 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 342 A C 2.029 179.604 177.584 -0.015 0.000 1.169 342 A CA 1.354 53.380 52.037 -0.019 0.000 0.635 342 A CB -0.245 18.744 19.000 -0.019 0.000 0.810 342 A HN 0.377 nan 8.150 nan 0.000 0.446 343 E N -0.647 119.547 120.200 -0.010 0.000 2.046 343 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 343 E C 2.214 178.811 176.600 -0.006 0.000 0.982 343 E CA 0.691 57.088 56.400 -0.005 0.000 0.800 343 E CB -0.415 29.285 29.700 -0.001 0.000 0.756 343 E HN 0.570 nan 8.360 nan 0.000 0.449 344 G N 0.690 109.485 108.800 -0.009 0.000 2.469 344 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.219 344 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.219 344 G C 1.668 176.562 174.900 -0.010 0.000 1.150 344 G CA 1.174 46.268 45.100 -0.010 0.000 0.763 344 G HN 0.286 nan 8.290 nan 0.000 0.561 345 S N 0.161 115.853 115.700 -0.014 0.000 2.368 345 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 345 S C 2.064 176.658 174.600 -0.011 0.000 1.030 345 S CA 1.938 60.129 58.200 -0.016 0.000 0.999 345 S CB -0.443 62.743 63.200 -0.023 0.000 0.844 345 S HN 0.433 nan 8.310 nan 0.000 0.459 346 D N 0.512 120.905 120.400 -0.011 0.000 2.088 346 D HA -0.103 4.537 4.640 -0.000 0.000 0.191 346 D C 1.962 178.261 176.300 -0.001 0.000 0.992 346 D CA 1.777 55.773 54.000 -0.006 0.000 0.831 346 D CB -0.518 40.279 40.800 -0.005 0.000 0.973 346 D HN 0.266 nan 8.370 nan 0.000 0.447 347 V N 0.783 120.697 119.914 -0.000 0.000 2.380 347 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 347 V C 2.515 178.611 176.094 0.004 0.000 1.063 347 V CA 1.994 64.295 62.300 0.003 0.000 1.055 347 V CB -1.021 30.805 31.823 0.005 0.000 0.657 347 V HN 0.366 nan 8.190 nan 0.000 0.455 348 A N -0.038 122.783 122.820 0.002 0.000 1.897 348 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 348 A C 2.092 179.684 177.584 0.014 0.000 1.181 348 A CA 1.610 53.650 52.037 0.005 0.000 0.620 348 A CB -0.523 18.476 19.000 -0.002 0.000 0.821 348 A HN 0.579 nan 8.150 nan 0.000 0.443 349 N N 0.322 119.029 118.700 0.013 0.000 2.331 349 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 349 N C 1.848 177.370 175.510 0.021 0.000 1.019 349 N CA 1.164 54.227 53.050 0.022 0.000 0.881 349 N CB -0.289 38.208 38.487 0.017 0.000 0.972 349 N HN 0.468 nan 8.380 nan 0.000 0.435 350 A N 0.699 123.526 122.820 0.011 0.000 1.930 350 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 350 A C 2.456 180.044 177.584 0.006 0.000 1.175 350 A CA 1.050 53.089 52.037 0.004 0.000 0.627 350 A CB -0.531 18.467 19.000 -0.003 0.000 0.815 350 A HN 0.088 nan 8.150 nan 0.000 0.443 351 V N -0.109 119.813 119.914 0.013 0.000 2.453 351 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 351 V C 2.510 178.619 176.094 0.025 0.000 1.048 351 V CA 1.619 63.930 62.300 0.019 0.000 1.049 351 V CB -0.650 31.186 31.823 0.022 0.000 0.672 351 V HN 0.550 nan 8.190 nan 0.000 0.457 352 L N -0.246 120.997 121.223 0.033 0.000 2.046 352 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 352 L C 2.405 179.299 176.870 0.040 0.000 1.077 352 L CA 1.511 56.381 54.840 0.050 0.000 0.747 352 L CB -0.718 41.388 42.059 0.078 0.000 0.896 352 L HN 0.341 nan 8.230 nan 0.000 0.432 353 D N -0.027 120.389 120.400 0.026 0.000 2.123 353 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 353 D C 1.654 177.951 176.300 -0.005 0.000 0.992 353 D CA 1.818 55.822 54.000 0.008 0.000 0.833 353 D CB -0.017 40.782 40.800 -0.001 0.000 0.954 353 D HN 0.487 nan 8.370 nan 0.000 0.455 354 G N -0.790 108.010 108.800 -0.000 0.000 2.321 354 G HA2 0.006 3.966 3.960 -0.000 0.000 0.174 354 G HA3 0.006 3.966 3.960 -0.000 0.000 0.174 354 G C 0.309 175.206 174.900 -0.005 0.000 1.008 354 G CA 0.139 45.239 45.100 -0.000 0.000 0.739 354 G HN 0.534 nan 8.290 nan 0.000 0.502 355 A N 0.593 123.406 122.820 -0.011 0.000 2.567 355 A HA 0.429 4.748 4.320 -0.000 0.000 0.240 355 A C 1.273 178.850 177.584 -0.010 0.000 1.053 355 A CA 1.119 53.142 52.037 -0.023 0.000 0.755 355 A CB 0.231 19.214 19.000 -0.028 0.000 0.978 355 A HN 0.267 nan 8.150 nan 0.000 0.507 356 D N 0.775 121.158 120.400 -0.028 0.000 2.103 356 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 356 D C 0.217 176.514 176.300 -0.006 0.000 0.978 356 D CA 1.343 55.334 54.000 -0.016 0.000 0.829 356 D CB 0.124 40.880 40.800 -0.073 0.000 0.981 356 D HN 0.552 nan 8.370 nan 0.000 0.464 357 C N 0.621 119.901 119.300 -0.034 0.000 2.707 357 C HA 0.623 5.083 4.460 -0.000 0.000 0.313 357 C C 0.131 175.105 174.990 -0.026 0.000 1.209 357 C CA -0.987 58.019 59.018 -0.020 0.000 1.635 357 C CB 1.708 29.428 27.740 -0.033 0.000 2.206 357 C HN 0.188 nan 8.230 nan 0.000 0.485 358 I N 0.174 120.741 120.570 -0.006 0.000 2.910 358 I HA 0.823 4.993 4.170 -0.000 0.000 0.310 358 I C -0.853 175.267 176.117 0.005 0.000 1.043 358 I CA -0.908 60.388 61.300 -0.006 0.000 1.053 358 I CB 1.801 39.805 38.000 0.006 0.000 1.242 358 I HN 0.643 nan 8.210 nan 0.000 0.452 359 M N 3.678 123.282 119.600 0.006 0.000 2.446 359 M HA 0.593 5.073 4.480 -0.000 0.000 0.294 359 M C -2.035 174.284 176.300 0.031 0.000 1.158 359 M CA -0.545 54.769 55.300 0.023 0.000 0.899 359 M CB 2.642 35.250 32.600 0.013 0.000 1.687 359 M HN 0.601 nan 8.290 nan 0.000 0.455 360 L N 2.144 123.395 121.223 0.046 0.000 2.346 360 L HA 0.614 4.954 4.340 -0.000 0.000 0.274 360 L C -0.098 176.808 176.870 0.060 0.000 1.007 360 L CA -0.240 54.629 54.840 0.048 0.000 0.818 360 L CB 2.152 44.240 42.059 0.049 0.000 1.284 360 L HN 0.795 nan 8.230 nan 0.000 0.424 361 S N 0.772 116.506 115.700 0.057 0.000 3.152 361 S HA 0.157 4.627 4.470 -0.000 0.000 0.173 361 S C 1.573 176.209 174.600 0.059 0.000 0.751 361 S CA 0.366 58.606 58.200 0.066 0.000 0.933 361 S CB -0.315 62.923 63.200 0.064 0.000 0.877 361 S HN 0.855 nan 8.310 nan 0.000 0.766 362 G N 1.335 110.164 108.800 0.049 0.000 2.462 362 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.220 362 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.220 362 G C 0.964 175.889 174.900 0.041 0.000 1.121 362 G CA 1.017 46.141 45.100 0.040 0.000 0.758 362 G HN 0.532 nan 8.290 nan 0.000 0.559 363 E N 0.008 120.236 120.200 0.048 0.000 2.209 363 E HA -0.084 4.265 4.350 -0.000 0.000 0.196 363 E C 2.613 179.247 176.600 0.056 0.000 0.993 363 E CA 1.724 58.157 56.400 0.056 0.000 0.819 363 E CB -0.105 29.629 29.700 0.057 0.000 0.745 363 E HN 0.638 nan 8.360 nan 0.000 0.477 364 T N -3.690 110.894 114.554 0.051 0.000 2.987 364 T HA 0.403 4.753 4.350 -0.000 0.000 0.248 364 T C 1.966 176.693 174.700 0.045 0.000 0.997 364 T CA 0.165 62.294 62.100 0.049 0.000 1.013 364 T CB -0.021 68.878 68.868 0.051 0.000 1.077 364 T HN 0.110 nan 8.240 nan 0.000 0.483 365 A N 3.525 126.375 122.820 0.051 0.000 1.845 365 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 365 A C 2.248 179.854 177.584 0.036 0.000 1.195 365 A CA 1.951 54.021 52.037 0.055 0.000 0.616 365 A CB -0.430 18.607 19.000 0.062 0.000 0.832 365 A HN 0.742 nan 8.150 nan 0.000 0.443 366 K N -1.658 118.755 120.400 0.021 0.000 2.450 366 K HA 0.296 4.616 4.320 -0.000 0.000 0.206 366 K C 0.936 177.532 176.600 -0.008 0.000 1.148 366 K CA 0.327 56.615 56.287 0.002 0.000 1.014 366 K CB -0.112 32.382 32.500 -0.010 0.000 0.966 366 K HN 0.288 nan 8.250 nan 0.000 0.566 367 G N 1.364 110.166 108.800 0.004 0.000 2.690 367 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.239 367 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.239 367 G C -0.337 174.532 174.900 -0.053 0.000 1.233 367 G CA -0.151 44.949 45.100 -0.000 0.000 0.847 367 G HN 0.096 nan 8.290 nan 0.000 0.588 368 D N -1.072 119.263 120.400 -0.108 0.000 2.348 368 D HA 0.060 4.700 4.640 -0.000 0.000 0.211 368 D C -0.024 175.917 176.300 -0.598 0.000 0.998 368 D CA 0.865 54.656 54.000 -0.348 0.000 0.873 368 D CB 0.221 40.752 40.800 -0.448 0.000 0.925 368 D HN 0.380 nan 8.370 nan 0.000 0.524 369 Y N -0.382 119.925 120.300 0.012 0.000 2.517 369 Y HA 0.229 4.779 4.550 -0.000 0.000 0.330 369 Y C -1.671 174.238 175.900 0.015 0.000 0.917 369 Y CA -1.755 56.352 58.100 0.013 0.000 1.131 369 Y CB 1.153 39.620 38.460 0.012 0.000 1.175 369 Y HN -0.079 nan 8.280 nan 0.000 0.620 370 P HA -0.171 nan 4.420 nan 0.000 0.218 370 P C 1.384 178.730 177.300 0.075 0.000 1.148 370 P CA 1.453 64.596 63.100 0.073 0.000 0.822 370 P CB 0.706 32.429 31.700 0.040 0.000 0.784 371 L N -0.496 120.775 121.223 0.081 0.000 2.044 371 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 371 L C 2.624 179.535 176.870 0.068 0.000 1.075 371 L CA 1.524 56.403 54.840 0.065 0.000 0.747 371 L CB -1.058 41.037 42.059 0.060 0.000 0.903 371 L HN -0.091 nan 8.230 nan 0.000 0.435 372 E N 0.471 120.727 120.200 0.094 0.000 2.171 372 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 372 E C 2.157 178.789 176.600 0.055 0.000 0.997 372 E CA 1.450 57.889 56.400 0.066 0.000 0.810 372 E CB -0.241 29.491 29.700 0.054 0.000 0.738 372 E HN 0.464 nan 8.360 nan 0.000 0.467 373 A N 0.090 122.953 122.820 0.071 0.000 1.968 373 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 373 A C 2.377 179.994 177.584 0.055 0.000 1.169 373 A CA 0.921 52.994 52.037 0.060 0.000 0.638 373 A CB -0.322 18.721 19.000 0.070 0.000 0.812 373 A HN 0.146 nan 8.150 nan 0.000 0.446 374 V N 0.060 120.007 119.914 0.054 0.000 2.307 374 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 374 V C 2.595 178.731 176.094 0.070 0.000 1.045 374 V CA 2.199 64.528 62.300 0.050 0.000 1.024 374 V CB -0.807 31.034 31.823 0.029 0.000 0.651 374 V HN 0.522 nan 8.190 nan 0.000 0.449 375 R N -0.713 119.825 120.500 0.063 0.000 2.092 375 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 375 R C 2.216 178.586 176.300 0.116 0.000 1.119 375 R CA 1.716 57.868 56.100 0.088 0.000 0.970 375 R CB -0.428 29.905 30.300 0.054 0.000 0.864 375 R HN 0.387 nan 8.270 nan 0.000 0.440 376 M N 0.929 120.572 119.600 0.072 0.000 2.175 376 M HA -0.139 4.341 4.480 -0.000 0.000 0.264 376 M C 1.905 178.236 176.300 0.052 0.000 1.063 376 M CA 1.727 57.057 55.300 0.051 0.000 1.119 376 M CB -0.002 32.614 32.600 0.027 0.000 1.377 376 M HN 0.044 nan 8.290 nan 0.000 0.415 377 Q N -1.404 118.434 119.800 0.063 0.000 2.050 377 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 377 Q C 2.119 178.161 176.000 0.071 0.000 0.980 377 Q CA 2.027 57.864 55.803 0.056 0.000 0.840 377 Q CB -0.522 28.250 28.738 0.056 0.000 0.898 377 Q HN 0.725 nan 8.270 nan 0.000 0.424 378 H N 0.933 120.016 119.070 0.021 0.000 2.265 378 H HA -0.160 4.396 4.556 -0.000 0.000 0.295 378 H C 1.943 177.289 175.328 0.030 0.000 1.084 378 H CA 2.039 58.104 56.048 0.029 0.000 1.261 378 H CB -0.408 29.371 29.762 0.028 0.000 1.360 378 H HN 0.105 nan 8.280 nan 0.000 0.487 379 L N -0.284 120.902 121.223 -0.062 0.000 1.990 379 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 379 L C 2.789 179.599 176.870 -0.099 0.000 1.072 379 L CA 1.824 56.600 54.840 -0.106 0.000 0.755 379 L CB -0.556 41.511 42.059 0.012 0.000 0.889 379 L HN 0.369 nan 8.230 nan 0.000 0.432 380 I N -0.251 120.292 120.570 -0.044 0.000 2.208 380 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 380 I C 2.842 178.936 176.117 -0.038 0.000 1.097 380 I CA 1.161 62.442 61.300 -0.031 0.000 1.363 380 I CB -0.515 37.479 38.000 -0.010 0.000 1.051 380 I HN 0.244 nan 8.210 nan 0.000 0.413 381 A N 0.736 123.529 122.820 -0.045 0.000 1.873 381 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 381 A C 2.419 179.976 177.584 -0.045 0.000 1.193 381 A CA 2.154 54.171 52.037 -0.033 0.000 0.629 381 A CB -0.756 18.230 19.000 -0.023 0.000 0.826 381 A HN 0.320 nan 8.150 nan 0.000 0.447 382 R N -0.906 119.527 120.500 -0.112 0.000 2.096 382 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 382 R C 2.166 178.440 176.300 -0.043 0.000 1.127 382 R CA 1.435 57.476 56.100 -0.098 0.000 0.968 382 R CB -0.113 30.074 30.300 -0.190 0.000 0.861 382 R HN 0.571 nan 8.270 nan 0.000 0.440 383 E N -0.141 120.032 120.200 -0.045 0.000 2.046 383 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 383 E C 1.881 178.480 176.600 -0.002 0.000 0.982 383 E CA 1.230 57.617 56.400 -0.023 0.000 0.800 383 E CB -0.182 29.499 29.700 -0.030 0.000 0.756 383 E HN 0.356 nan 8.360 nan 0.000 0.449 384 A N 1.274 124.094 122.820 0.001 0.000 2.015 384 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 384 A C 1.974 179.584 177.584 0.044 0.000 1.163 384 A CA 1.310 53.358 52.037 0.018 0.000 0.646 384 A CB -0.332 18.677 19.000 0.014 0.000 0.806 384 A HN 0.188 nan 8.150 nan 0.000 0.448 385 E N -0.247 119.984 120.200 0.051 0.000 2.046 385 E HA -0.031 4.319 4.350 -0.000 0.000 0.190 385 E C 2.341 179.045 176.600 0.173 0.000 0.982 385 E CA 0.832 57.291 56.400 0.098 0.000 0.800 385 E CB -0.277 29.475 29.700 0.086 0.000 0.756 385 E HN 0.588 nan 8.360 nan 0.000 0.449 386 A N 1.313 124.212 122.820 0.132 0.000 1.978 386 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 386 A C 2.257 179.949 177.584 0.180 0.000 1.170 386 A CA 1.701 53.834 52.037 0.159 0.000 0.636 386 A CB -0.501 18.543 19.000 0.074 0.000 0.810 386 A HN 0.279 nan 8.150 nan 0.000 0.448 387 A N -1.166 121.723 122.820 0.114 0.000 2.238 387 A HA 0.414 4.733 4.320 -0.000 0.000 0.208 387 A C 1.010 178.719 177.584 0.208 0.000 1.177 387 A CA -0.054 52.047 52.037 0.107 0.000 0.804 387 A CB -0.458 18.557 19.000 0.024 0.000 0.823 387 A HN 0.559 nan 8.150 nan 0.000 0.482 388 M N -0.997 118.661 119.600 0.096 0.000 2.240 388 M HA 0.203 4.683 4.480 -0.000 0.000 0.333 388 M C -0.101 176.157 176.300 -0.071 0.000 1.110 388 M CA 0.202 55.482 55.300 -0.035 0.000 1.173 388 M CB 0.378 32.812 32.600 -0.275 0.000 1.458 388 M HN 0.343 nan 8.290 nan 0.000 0.458 389 F N 2.180 121.937 119.950 -0.321 0.000 2.499 389 F HA 0.136 4.663 4.527 -0.000 0.000 0.353 389 F C 0.727 176.387 175.800 -0.233 0.000 1.196 389 F CA -0.608 57.106 58.000 -0.475 0.000 1.244 389 F CB -0.001 38.706 39.000 -0.488 0.000 1.577 389 F HN 0.692 nan 8.300 nan 0.000 0.614 390 H N 1.874 121.030 119.070 0.142 0.000 2.352 390 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 390 H C 2.379 177.625 175.328 -0.136 0.000 1.097 390 H CA 1.997 58.043 56.048 -0.004 0.000 1.311 390 H CB -0.013 29.674 29.762 -0.125 0.000 1.377 390 H HN 0.510 nan 8.280 nan 0.000 0.504 391 R N 0.856 121.288 120.500 -0.114 0.000 2.082 391 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 391 R C 1.916 178.114 176.300 -0.169 0.000 1.136 391 R CA 1.420 57.405 56.100 -0.192 0.000 0.935 391 R CB 0.088 30.294 30.300 -0.157 0.000 0.842 391 R HN 0.133 nan 8.270 nan 0.000 0.430 392 K N 0.735 120.829 120.400 -0.510 0.000 2.113 392 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 392 K C 2.045 178.542 176.600 -0.172 0.000 1.047 392 K CA 1.053 57.065 56.287 -0.458 0.000 0.928 392 K CB -0.594 31.400 32.500 -0.843 0.000 0.716 392 K HN 0.179 nan 8.250 nan 0.000 0.446 393 L N 0.395 121.569 121.223 -0.082 0.000 1.973 393 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 393 L C 2.270 179.221 176.870 0.135 0.000 1.073 393 L CA 1.493 56.349 54.840 0.027 0.000 0.746 393 L CB -0.972 41.121 42.059 0.056 0.000 0.891 393 L HN 0.121 nan 8.230 nan 0.000 0.433 394 F N 0.949 120.972 119.950 0.121 0.000 2.063 394 F HA -0.337 4.190 4.527 -0.000 0.000 0.298 394 F C 2.331 178.221 175.800 0.150 0.000 1.105 394 F CA 2.432 60.568 58.000 0.227 0.000 1.215 394 F CB -0.483 38.744 39.000 0.377 0.000 0.972 394 F HN 0.316 nan 8.300 nan 0.000 0.483 395 E N -0.218 120.046 120.200 0.107 0.000 2.097 395 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 395 E C 2.111 178.652 176.600 -0.097 0.000 1.000 395 E CA 1.880 58.258 56.400 -0.038 0.000 0.804 395 E CB -0.317 29.396 29.700 0.021 0.000 0.740 395 E HN 0.653 nan 8.360 nan 0.000 0.454 396 E N 0.242 120.402 120.200 -0.066 0.000 2.158 396 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 396 E C 2.173 178.737 176.600 -0.060 0.000 0.982 396 E CA 0.361 56.722 56.400 -0.065 0.000 0.823 396 E CB 0.086 29.745 29.700 -0.068 0.000 0.766 396 E HN 0.194 nan 8.360 nan 0.000 0.468 397 L N 0.767 121.959 121.223 -0.052 0.000 2.056 397 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 397 L C 2.587 179.463 176.870 0.011 0.000 1.078 397 L CA 1.010 55.827 54.840 -0.038 0.000 0.749 397 L CB -0.447 41.579 42.059 -0.055 0.000 0.901 397 L HN 0.116 nan 8.230 nan 0.000 0.433 398 A N 0.244 123.022 122.820 -0.071 0.000 1.892 398 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 398 A C 2.458 180.000 177.584 -0.070 0.000 1.188 398 A CA 2.192 54.152 52.037 -0.128 0.000 0.631 398 A CB -0.723 18.049 19.000 -0.380 0.000 0.822 398 A HN 0.387 nan 8.150 nan 0.000 0.447 399 R N -0.367 120.088 120.500 -0.075 0.000 2.083 399 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 399 R C 2.193 178.473 176.300 -0.032 0.000 1.137 399 R CA 1.689 57.758 56.100 -0.051 0.000 0.951 399 R CB -0.439 29.831 30.300 -0.050 0.000 0.851 399 R HN 0.446 nan 8.270 nan 0.000 0.434 400 A N -0.520 122.283 122.820 -0.028 0.000 2.066 400 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 400 A C 1.842 179.421 177.584 -0.007 0.000 1.157 400 A CA 1.323 53.347 52.037 -0.021 0.000 0.670 400 A CB 0.038 19.021 19.000 -0.027 0.000 0.804 400 A HN 0.376 nan 8.150 nan 0.000 0.453 401 S N -0.204 115.502 115.700 0.011 0.000 2.540 401 S HA 0.010 4.479 4.470 -0.000 0.000 0.218 401 S C 1.888 176.498 174.600 0.016 0.000 0.977 401 S CA 0.571 58.792 58.200 0.034 0.000 0.918 401 S CB -0.055 63.212 63.200 0.112 0.000 0.806 401 S HN 0.846 nan 8.310 nan 0.000 0.496 402 S N 2.544 118.241 115.700 -0.005 0.000 2.440 402 S HA -0.240 4.230 4.470 -0.000 0.000 0.240 402 S C 1.941 176.532 174.600 -0.015 0.000 1.014 402 S CA 1.204 59.393 58.200 -0.018 0.000 0.980 402 S CB -0.441 62.744 63.200 -0.025 0.000 0.775 402 S HN 0.668 nan 8.310 nan 0.000 0.499 403 Q N 1.910 121.704 119.800 -0.010 0.000 2.297 403 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 403 Q C 0.922 176.916 176.000 -0.010 0.000 0.962 403 Q CA 1.154 56.951 55.803 -0.010 0.000 0.879 403 Q CB -0.703 28.029 28.738 -0.009 0.000 0.947 403 Q HN 0.540 nan 8.270 nan 0.000 0.462 404 S N 1.009 116.705 115.700 -0.006 0.000 2.537 404 S HA 0.267 4.737 4.470 -0.000 0.000 0.275 404 S C 0.434 175.024 174.600 -0.017 0.000 1.272 404 S CA 0.032 58.228 58.200 -0.008 0.000 1.050 404 S CB 1.070 64.273 63.200 0.005 0.000 0.961 404 S HN 0.428 nan 8.310 nan 0.000 0.496 405 T N 0.814 115.353 114.554 -0.025 0.000 3.174 405 T HA 0.229 4.579 4.350 -0.000 0.000 0.269 405 T C 0.028 174.698 174.700 -0.050 0.000 1.017 405 T CA -0.501 61.578 62.100 -0.034 0.000 0.899 405 T CB -0.475 68.376 68.868 -0.028 0.000 1.077 405 T HN 0.636 nan 8.240 nan 0.000 0.552 406 D N 1.190 121.556 120.400 -0.057 0.000 2.583 406 D HA 0.039 4.679 4.640 -0.000 0.000 0.232 406 D C 1.244 177.459 176.300 -0.143 0.000 1.128 406 D CA 0.104 54.046 54.000 -0.097 0.000 0.859 406 D CB 0.497 41.249 40.800 -0.080 0.000 1.169 406 D HN 0.180 nan 8.370 nan 0.000 0.481 407 L N 3.267 124.352 121.223 -0.230 0.000 2.056 407 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 407 L C 2.258 178.903 176.870 -0.375 0.000 1.078 407 L CA 0.715 55.393 54.840 -0.269 0.000 0.749 407 L CB -0.462 41.430 42.059 -0.279 0.000 0.901 407 L HN 0.603 nan 8.230 nan 0.000 0.433 408 M N 0.407 119.608 119.600 -0.666 0.000 2.065 408 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 408 M C 2.097 178.340 176.300 -0.094 0.000 1.069 408 M CA 1.819 56.895 55.300 -0.374 0.000 1.110 408 M CB -0.456 31.945 32.600 -0.331 0.000 1.328 408 M HN 0.112 nan 8.290 nan 0.000 0.405 409 E N -0.398 119.755 120.200 -0.078 0.000 2.114 409 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 409 E C 1.918 178.455 176.600 -0.105 0.000 1.008 409 E CA 1.517 57.907 56.400 -0.016 0.000 0.810 409 E CB -0.392 29.319 29.700 0.018 0.000 0.739 409 E HN 0.683 nan 8.360 nan 0.000 0.456 410 A N 1.003 123.771 122.820 -0.086 0.000 1.877 410 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 410 A C 2.142 179.710 177.584 -0.026 0.000 1.186 410 A CA 1.320 53.316 52.037 -0.068 0.000 0.620 410 A CB -0.296 18.681 19.000 -0.037 0.000 0.822 410 A HN 0.123 nan 8.150 nan 0.000 0.443 411 M N -0.330 119.290 119.600 0.034 0.000 2.159 411 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 411 M C 2.498 178.825 176.300 0.045 0.000 1.063 411 M CA 1.534 56.883 55.300 0.081 0.000 1.110 411 M CB -1.507 31.214 32.600 0.202 0.000 1.374 411 M HN 0.500 nan 8.290 nan 0.000 0.411 412 A N 0.167 123.006 122.820 0.031 0.000 1.877 412 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 412 A C 2.243 179.818 177.584 -0.016 0.000 1.186 412 A CA 1.692 53.755 52.037 0.043 0.000 0.620 412 A CB -0.585 18.488 19.000 0.120 0.000 0.822 412 A HN 0.466 nan 8.150 nan 0.000 0.443 413 M N -0.549 118.963 119.600 -0.146 0.000 2.175 413 M HA -0.064 4.416 4.480 -0.000 0.000 0.264 413 M C 2.283 178.602 176.300 0.032 0.000 1.063 413 M CA 1.291 56.540 55.300 -0.085 0.000 1.119 413 M CB -0.510 31.931 32.600 -0.265 0.000 1.377 413 M HN 0.514 nan 8.290 nan 0.000 0.415 414 G N -0.383 108.412 108.800 -0.008 0.000 2.446 414 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 414 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 414 G C 1.582 176.456 174.900 -0.044 0.000 1.168 414 G CA 1.249 46.343 45.100 -0.009 0.000 0.771 414 G HN 0.451 nan 8.290 nan 0.000 0.551 415 S N 0.045 115.721 115.700 -0.041 0.000 2.355 415 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 415 S C 2.475 176.985 174.600 -0.150 0.000 1.031 415 S CA 1.095 59.257 58.200 -0.064 0.000 0.993 415 S CB -0.407 62.779 63.200 -0.023 0.000 0.859 415 S HN 0.154 nan 8.310 nan 0.000 0.453 416 V N 2.011 121.811 119.914 -0.190 0.000 2.287 416 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 416 V C 2.644 178.269 176.094 -0.781 0.000 1.053 416 V CA 2.213 64.254 62.300 -0.432 0.000 1.027 416 V CB -0.701 30.954 31.823 -0.280 0.000 0.646 416 V HN 0.448 nan 8.190 nan 0.000 0.447 417 E N 0.784 120.636 120.200 -0.580 0.000 2.051 417 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 417 E C 2.108 178.577 176.600 -0.219 0.000 0.991 417 E CA 1.828 57.952 56.400 -0.460 0.000 0.799 417 E CB -0.532 29.023 29.700 -0.241 0.000 0.748 417 E HN 0.505 nan 8.360 nan 0.000 0.449 418 A N 0.341 123.064 122.820 -0.161 0.000 1.933 418 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 418 A C 2.423 179.949 177.584 -0.096 0.000 1.175 418 A CA 2.302 54.283 52.037 -0.092 0.000 0.628 418 A CB -1.101 17.858 19.000 -0.068 0.000 0.814 418 A HN 0.450 nan 8.150 nan 0.000 0.444 419 S N -1.449 114.152 115.700 -0.165 0.000 2.399 419 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 419 S C 1.885 176.441 174.600 -0.074 0.000 1.022 419 S CA 1.484 59.597 58.200 -0.145 0.000 0.983 419 S CB -0.694 62.384 63.200 -0.204 0.000 0.803 419 S HN 0.508 nan 8.310 nan 0.000 0.480 420 Y N 2.120 122.346 120.300 -0.122 0.000 2.184 420 Y HA 0.195 4.745 4.550 -0.000 0.000 0.290 420 Y C 2.600 178.451 175.900 -0.081 0.000 1.129 420 Y CA 0.988 59.015 58.100 -0.121 0.000 1.144 420 Y CB -0.883 37.474 38.460 -0.171 0.000 0.995 420 Y HN 0.307 nan 8.280 nan 0.000 0.513 421 K N 0.761 121.218 120.400 0.094 0.000 2.211 421 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 421 K C 1.498 178.113 176.600 0.025 0.000 1.050 421 K CA 1.476 57.790 56.287 0.046 0.000 0.945 421 K CB -0.481 32.032 32.500 0.021 0.000 0.732 421 K HN 0.425 nan 8.250 nan 0.000 0.451 422 C N -0.148 119.160 119.300 0.013 0.000 2.760 422 C HA 0.490 4.949 4.460 -0.000 0.000 0.293 422 C C 0.398 175.391 174.990 0.004 0.000 1.383 422 C CA -1.018 58.000 59.018 0.001 0.000 1.771 422 C CB -1.426 26.305 27.740 -0.014 0.000 2.353 422 C HN 0.401 nan 8.230 nan 0.000 0.578 423 L N 0.618 121.853 121.223 0.021 0.000 3.954 423 L HA -0.250 4.090 4.340 -0.000 0.000 0.462 423 L C 1.105 177.981 176.870 0.010 0.000 1.195 423 L CA 0.632 55.486 54.840 0.023 0.000 0.739 423 L CB -2.154 39.921 42.059 0.026 0.000 1.599 423 L HN 0.732 nan 8.230 nan 0.000 0.838 424 A N 0.267 123.083 122.820 -0.007 0.000 2.462 424 A HA 0.535 4.855 4.320 -0.000 0.000 0.243 424 A C 1.368 178.950 177.584 -0.002 0.000 1.076 424 A CA 0.507 52.529 52.037 -0.026 0.000 0.773 424 A CB 0.857 19.826 19.000 -0.051 0.000 1.010 424 A HN 0.672 nan 8.150 nan 0.000 0.493 425 A N 1.558 124.387 122.820 0.014 0.000 2.167 425 A HA 0.507 4.827 4.320 -0.000 0.000 0.214 425 A C 1.015 178.691 177.584 0.153 0.000 1.151 425 A CA 1.457 53.561 52.037 0.111 0.000 0.735 425 A CB -0.439 18.701 19.000 0.233 0.000 0.802 425 A HN 2.376 nan 8.150 nan 0.000 0.467 426 A N -1.739 121.125 122.820 0.074 0.000 2.567 426 A HA 0.593 4.913 4.320 -0.000 0.000 0.291 426 A C -1.736 175.860 177.584 0.019 0.000 1.048 426 A CA -0.626 51.465 52.037 0.091 0.000 0.661 426 A CB 0.261 19.443 19.000 0.304 0.000 1.288 426 A HN 0.271 nan 8.150 nan 0.000 0.424 427 L N 0.873 122.116 121.223 0.034 0.000 2.329 427 L HA 0.657 4.997 4.340 -0.000 0.000 0.279 427 L C -0.529 176.376 176.870 0.059 0.000 1.014 427 L CA -0.121 54.732 54.840 0.021 0.000 0.814 427 L CB 1.654 43.719 42.059 0.009 0.000 1.257 427 L HN 0.583 nan 8.230 nan 0.000 0.424 428 I N 3.321 123.917 120.570 0.042 0.000 2.339 428 I HA 0.437 4.607 4.170 -0.000 0.000 0.290 428 I C -0.763 175.383 176.117 0.048 0.000 0.994 428 I CA -0.609 60.728 61.300 0.061 0.000 1.191 428 I CB 1.527 39.553 38.000 0.042 0.000 1.343 428 I HN 0.194 nan 8.210 nan 0.000 0.458 429 V N 7.550 127.499 119.914 0.058 0.000 2.487 429 V HA 0.366 4.486 4.120 -0.000 0.000 0.298 429 V C -0.368 175.749 176.094 0.038 0.000 1.028 429 V CA -0.623 61.704 62.300 0.045 0.000 0.860 429 V CB 1.985 33.832 31.823 0.040 0.000 0.991 429 V HN 0.391 nan 8.190 nan 0.000 0.427 430 L N 4.529 125.772 121.223 0.033 0.000 2.272 430 L HA 0.657 4.997 4.340 -0.000 0.000 0.284 430 L C 0.235 177.130 176.870 0.041 0.000 1.045 430 L CA 0.726 55.582 54.840 0.027 0.000 0.842 430 L CB 1.431 43.494 42.059 0.007 0.000 1.224 430 L HN 0.824 nan 8.230 nan 0.000 0.430 431 T N 1.113 115.684 114.554 0.028 0.000 2.903 431 T HA 0.455 4.805 4.350 -0.000 0.000 0.299 431 T C 0.337 175.053 174.700 0.027 0.000 1.093 431 T CA -0.384 61.727 62.100 0.019 0.000 1.002 431 T CB 1.457 70.301 68.868 -0.040 0.000 1.127 431 T HN 0.538 nan 8.240 nan 0.000 0.488 432 E N 0.921 121.140 120.200 0.033 0.000 2.288 432 E HA 0.080 4.430 4.350 -0.000 0.000 0.200 432 E C 2.179 178.797 176.600 0.029 0.000 0.880 432 E CA 0.995 57.422 56.400 0.045 0.000 0.971 432 E CB -0.142 29.598 29.700 0.066 0.000 0.954 432 E HN 0.680 nan 8.360 nan 0.000 0.489 433 S N -0.578 115.128 115.700 0.011 0.000 2.461 433 S HA 0.109 4.579 4.470 -0.000 0.000 0.228 433 S C 1.734 176.298 174.600 -0.060 0.000 1.005 433 S CA 1.217 59.419 58.200 0.004 0.000 0.942 433 S CB 0.280 63.487 63.200 0.011 0.000 0.776 433 S HN 0.318 nan 8.310 nan 0.000 0.514 434 G N 1.834 110.531 108.800 -0.172 0.000 2.253 434 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.251 434 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.251 434 G C 1.041 175.353 174.900 -0.979 0.000 0.998 434 G CA 0.327 45.128 45.100 -0.498 0.000 0.621 434 G HN 0.514 nan 8.290 nan 0.000 0.524 435 R N 0.808 121.018 120.500 -0.483 0.000 2.139 435 R HA 0.002 4.342 4.340 -0.000 0.000 0.243 435 R C 2.734 178.904 176.300 -0.217 0.000 1.145 435 R CA 1.789 57.716 56.100 -0.290 0.000 0.976 435 R CB -0.346 29.926 30.300 -0.046 0.000 0.866 435 R HN 0.426 nan 8.270 nan 0.000 0.449 436 S N 0.175 115.782 115.700 -0.155 0.000 2.387 436 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 436 S C 1.968 176.533 174.600 -0.059 0.000 1.026 436 S CA 1.004 59.185 58.200 -0.032 0.000 0.972 436 S CB 0.058 63.288 63.200 0.051 0.000 0.814 436 S HN 0.482 nan 8.310 nan 0.000 0.477 437 A N 1.253 123.974 122.820 -0.166 0.000 1.897 437 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 437 A C 1.600 179.135 177.584 -0.081 0.000 1.181 437 A CA 1.235 53.212 52.037 -0.101 0.000 0.620 437 A CB -0.904 18.035 19.000 -0.102 0.000 0.821 437 A HN 0.663 nan 8.150 nan 0.000 0.443 438 H N -0.854 118.050 119.070 -0.276 0.000 2.319 438 H HA -0.164 4.392 4.556 -0.000 0.000 0.297 438 H C 2.259 177.510 175.328 -0.127 0.000 1.097 438 H CA 1.199 56.972 56.048 -0.458 0.000 1.285 438 H CB 0.047 29.418 29.762 -0.651 0.000 1.368 438 H HN 0.365 nan 8.280 nan 0.000 0.495 439 Q N 0.635 120.480 119.800 0.075 0.000 2.124 439 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 439 Q C 2.711 178.848 176.000 0.228 0.000 0.977 439 Q CA 0.868 56.759 55.803 0.146 0.000 0.850 439 Q CB -0.364 28.447 28.738 0.122 0.000 0.901 439 Q HN 0.364 nan 8.270 nan 0.000 0.429 440 V N 1.102 121.111 119.914 0.160 0.000 2.261 440 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 440 V C 2.425 178.629 176.094 0.184 0.000 1.047 440 V CA 1.782 64.185 62.300 0.173 0.000 1.015 440 V CB -1.305 30.579 31.823 0.102 0.000 0.642 440 V HN 0.321 nan 8.190 nan 0.000 0.446 441 A N 0.410 123.317 122.820 0.145 0.000 1.903 441 A HA -0.324 3.996 4.320 -0.000 0.000 0.219 441 A C 2.430 180.104 177.584 0.150 0.000 1.191 441 A CA 2.389 54.524 52.037 0.163 0.000 0.638 441 A CB -0.724 18.395 19.000 0.199 0.000 0.823 441 A HN 0.508 nan 8.150 nan 0.000 0.451 442 R N -1.940 118.620 120.500 0.100 0.000 2.241 442 R HA -0.150 4.190 4.340 -0.000 0.000 0.224 442 R C 0.667 176.809 176.300 -0.264 0.000 1.101 442 R CA 1.496 57.554 56.100 -0.070 0.000 0.995 442 R CB -0.254 29.966 30.300 -0.132 0.000 0.870 442 R HN 0.613 nan 8.270 nan 0.000 0.463 443 Y N 0.479 120.868 120.300 0.148 0.000 2.485 443 Y HA 0.293 4.843 4.550 -0.000 0.000 0.260 443 Y C 0.031 176.103 175.900 0.286 0.000 1.173 443 Y CA -0.402 57.825 58.100 0.213 0.000 1.252 443 Y CB 0.552 39.158 38.460 0.243 0.000 1.123 443 Y HN -0.094 nan 8.280 nan 0.000 0.524 444 R N -0.217 120.458 120.500 0.291 0.000 3.152 444 R HA -0.144 4.196 4.340 -0.000 0.000 0.252 444 R C -2.973 173.559 176.300 0.385 0.000 0.930 444 R CA 0.189 56.472 56.100 0.305 0.000 0.642 444 R CB -2.136 28.336 30.300 0.287 0.000 1.205 444 R HN 0.287 nan 8.270 nan 0.000 0.452 445 P HA -0.003 nan 4.420 nan 0.000 0.272 445 P C 0.690 178.107 177.300 0.195 0.000 1.230 445 P CA -0.205 62.949 63.100 0.091 0.000 0.788 445 P CB 0.384 32.049 31.700 -0.058 0.000 0.949 446 R N 1.051 121.582 120.500 0.051 0.000 2.193 446 R HA 0.203 4.543 4.340 -0.000 0.000 0.213 446 R C 0.899 177.192 176.300 -0.012 0.000 1.055 446 R CA 0.309 56.344 56.100 -0.108 0.000 0.995 446 R CB -0.656 29.340 30.300 -0.507 0.000 0.893 446 R HN 0.408 nan 8.270 nan 0.000 0.459 447 A N 3.299 126.109 122.820 -0.017 0.000 2.354 447 A HA 0.383 4.703 4.320 -0.000 0.000 0.269 447 A C -2.180 175.389 177.584 -0.025 0.000 1.109 447 A CA -2.038 49.980 52.037 -0.031 0.000 0.800 447 A CB 0.129 19.114 19.000 -0.024 0.000 1.045 447 A HN 0.150 nan 8.150 nan 0.000 0.489 448 P HA 0.135 nan 4.420 nan 0.000 0.267 448 P C -0.834 176.484 177.300 0.031 0.000 1.200 448 P CA 0.456 63.507 63.100 -0.082 0.000 0.772 448 P CB 0.423 31.901 31.700 -0.371 0.000 0.855 449 I N 3.681 124.311 120.570 0.100 0.000 2.337 449 I HA 0.278 4.447 4.170 -0.000 0.000 0.285 449 I C 0.591 176.819 176.117 0.184 0.000 1.041 449 I CA -0.605 60.768 61.300 0.122 0.000 1.199 449 I CB 0.432 38.501 38.000 0.115 0.000 1.370 449 I HN 0.119 nan 8.210 nan 0.000 0.470 450 I N 6.150 126.834 120.570 0.189 0.000 2.322 450 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 450 I C 0.635 176.854 176.117 0.170 0.000 1.060 450 I CA -0.065 61.378 61.300 0.239 0.000 1.309 450 I CB 0.779 38.926 38.000 0.245 0.000 1.415 450 I HN 0.587 nan 8.210 nan 0.000 0.492 451 A N 7.340 130.257 122.820 0.162 0.000 2.280 451 A HA 0.581 4.901 4.320 -0.000 0.000 0.320 451 A C -0.275 177.357 177.584 0.081 0.000 1.366 451 A CA -0.469 51.623 52.037 0.092 0.000 0.938 451 A CB 0.407 19.441 19.000 0.057 0.000 1.157 451 A HN 0.478 nan 8.150 nan 0.000 0.536 452 V N 2.694 122.646 119.914 0.064 0.000 2.406 452 V HA 0.587 4.707 4.120 -0.000 0.000 0.272 452 V C 0.599 176.712 176.094 0.031 0.000 1.043 452 V CA 0.063 62.392 62.300 0.049 0.000 0.915 452 V CB 1.068 32.913 31.823 0.037 0.000 0.988 452 V HN 0.897 nan 8.190 nan 0.000 0.466 453 T N 4.507 119.077 114.554 0.027 0.000 2.933 453 T HA 0.401 4.751 4.350 -0.000 0.000 0.305 453 T C 0.595 175.316 174.700 0.035 0.000 1.092 453 T CA -0.626 61.493 62.100 0.031 0.000 1.008 453 T CB 1.614 70.500 68.868 0.030 0.000 1.102 453 T HN 0.661 nan 8.240 nan 0.000 0.469 454 R N 1.875 122.414 120.500 0.064 0.000 2.280 454 R HA 0.183 4.523 4.340 -0.000 0.000 0.195 454 R C 0.468 176.885 176.300 0.196 0.000 0.935 454 R CA -0.101 56.061 56.100 0.104 0.000 1.033 454 R CB 0.198 30.554 30.300 0.093 0.000 0.964 454 R HN 0.367 nan 8.270 nan 0.000 0.489 455 N N 0.838 119.631 118.700 0.155 0.000 2.415 455 N HA -0.020 4.720 4.740 -0.000 0.000 0.246 455 N C 0.239 175.883 175.510 0.224 0.000 1.078 455 N CA 0.168 53.329 53.050 0.186 0.000 0.942 455 N CB 0.711 39.264 38.487 0.109 0.000 1.140 455 N HN 0.102 nan 8.380 nan 0.000 0.501 456 H N 1.893 120.994 119.070 0.051 0.000 2.321 456 H HA -0.098 4.458 4.556 -0.000 0.000 0.300 456 H C 1.572 176.940 175.328 0.066 0.000 1.087 456 H CA 1.534 57.622 56.048 0.067 0.000 1.319 456 H CB 0.063 29.864 29.762 0.066 0.000 1.379 456 H HN 0.646 nan 8.280 nan 0.000 0.501 457 Q N 0.011 119.930 119.800 0.198 0.000 2.135 457 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 457 Q C 1.723 177.793 176.000 0.117 0.000 0.981 457 Q CA 1.941 57.821 55.803 0.129 0.000 0.856 457 Q CB 0.020 28.813 28.738 0.093 0.000 0.902 457 Q HN 0.445 nan 8.270 nan 0.000 0.425 458 T N 0.363 114.985 114.554 0.114 0.000 2.708 458 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 458 T C 1.750 176.498 174.700 0.080 0.000 1.037 458 T CA 1.298 63.460 62.100 0.104 0.000 1.146 458 T CB -0.404 68.510 68.868 0.077 0.000 0.865 458 T HN 0.490 nan 8.240 nan 0.000 0.435 459 A N 1.843 124.692 122.820 0.049 0.000 1.917 459 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 459 A C 2.372 179.906 177.584 -0.085 0.000 1.182 459 A CA 1.647 53.670 52.037 -0.023 0.000 0.633 459 A CB -0.494 18.493 19.000 -0.022 0.000 0.819 459 A HN 0.445 nan 8.150 nan 0.000 0.448 460 R N -0.894 119.622 120.500 0.025 0.000 2.090 460 R HA -0.072 4.268 4.340 -0.000 0.000 0.228 460 R C 2.269 178.638 176.300 0.115 0.000 1.110 460 R CA 1.413 57.567 56.100 0.089 0.000 0.973 460 R CB -0.283 30.096 30.300 0.132 0.000 0.869 460 R HN 0.679 nan 8.270 nan 0.000 0.440 461 Q N 0.075 119.947 119.800 0.119 0.000 2.369 461 Q HA 0.044 4.384 4.340 -0.000 0.000 0.206 461 Q C 1.927 178.066 176.000 0.231 0.000 0.963 461 Q CA 0.806 56.710 55.803 0.168 0.000 0.894 461 Q CB 0.163 29.009 28.738 0.181 0.000 0.965 461 Q HN 0.316 nan 8.270 nan 0.000 0.475 462 A N 0.639 123.558 122.820 0.164 0.000 2.019 462 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 462 A C 1.439 179.138 177.584 0.191 0.000 1.164 462 A CA 1.055 53.221 52.037 0.216 0.000 0.644 462 A CB -0.517 18.505 19.000 0.036 0.000 0.805 462 A HN 0.351 nan 8.150 nan 0.000 0.449 463 H N -0.334 118.826 119.070 0.150 0.000 2.518 463 H HA -0.020 4.536 4.556 -0.000 0.000 0.292 463 H C 1.643 177.011 175.328 0.066 0.000 1.068 463 H CA 1.112 57.211 56.048 0.086 0.000 1.275 463 H CB -0.210 29.575 29.762 0.038 0.000 1.375 463 H HN 0.450 nan 8.280 nan 0.000 0.563 464 L N -0.208 121.099 121.223 0.140 0.000 2.465 464 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 464 L C -0.028 176.651 176.870 -0.318 0.000 1.145 464 L CA 0.416 55.183 54.840 -0.122 0.000 0.834 464 L CB -0.066 41.824 42.059 -0.281 0.000 0.944 464 L HN 0.115 nan 8.230 nan 0.000 0.451 465 Y N -0.991 119.333 120.300 0.039 0.000 2.377 465 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 465 Y C 0.537 176.483 175.900 0.076 0.000 1.011 465 Y CA -1.387 56.736 58.100 0.038 0.000 1.093 465 Y CB 0.861 39.350 38.460 0.048 0.000 1.201 465 Y HN -0.153 nan 8.280 nan 0.000 0.455 466 R N 1.385 122.002 120.500 0.195 0.000 2.537 466 R HA 0.244 4.584 4.340 -0.000 0.000 0.281 466 R C 1.185 177.598 176.300 0.188 0.000 0.988 466 R CA 1.282 57.478 56.100 0.161 0.000 1.077 466 R CB -0.436 29.940 30.300 0.127 0.000 0.932 466 R HN 0.983 nan 8.270 nan 0.000 0.409 467 G N 3.768 112.671 108.800 0.171 0.000 2.189 467 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 467 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 467 G C 0.249 175.263 174.900 0.190 0.000 0.975 467 G CA 0.413 45.610 45.100 0.163 0.000 0.644 467 G HN 0.577 nan 8.290 nan 0.000 0.537 468 I N 0.502 121.200 120.570 0.213 0.000 2.396 468 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 468 I C -0.114 176.141 176.117 0.229 0.000 1.056 468 I CA -0.499 60.926 61.300 0.207 0.000 1.365 468 I CB 0.701 38.812 38.000 0.185 0.000 1.407 468 I HN 0.052 nan 8.210 nan 0.000 0.509 469 F N 10.035 130.050 119.950 0.109 0.000 2.311 469 F HA 0.449 4.976 4.527 -0.000 0.000 0.371 469 F C -2.179 173.668 175.800 0.080 0.000 1.083 469 F CA -2.606 55.473 58.000 0.132 0.000 1.113 469 F CB 0.859 39.988 39.000 0.215 0.000 1.349 469 F HN 0.254 nan 8.300 nan 0.000 0.470 470 P HA 0.193 nan 4.420 nan 0.000 0.275 470 P C -1.165 176.146 177.300 0.019 0.000 1.227 470 P CA -0.097 62.981 63.100 -0.037 0.000 0.781 470 P CB 2.126 33.704 31.700 -0.202 0.000 0.906 471 V N 3.816 123.781 119.914 0.085 0.000 2.524 471 V HA 0.126 4.246 4.120 -0.000 0.000 0.297 471 V C 0.308 176.440 176.094 0.062 0.000 1.035 471 V CA -0.855 61.513 62.300 0.113 0.000 0.867 471 V CB 2.027 33.953 31.823 0.171 0.000 1.004 471 V HN 0.275 nan 8.190 nan 0.000 0.426 472 V N 3.231 123.177 119.914 0.052 0.000 2.637 472 V HA 0.135 4.255 4.120 -0.000 0.000 0.296 472 V C 0.512 176.596 176.094 -0.017 0.000 1.046 472 V CA -0.201 62.078 62.300 -0.035 0.000 1.066 472 V CB 1.256 32.991 31.823 -0.146 0.000 0.968 472 V HN 1.001 nan 8.190 nan 0.000 0.483 473 C N 6.050 125.337 119.300 -0.023 0.000 2.264 473 C HA 0.407 4.867 4.460 -0.000 0.000 0.324 473 C C 1.363 176.357 174.990 0.006 0.000 1.267 473 C CA -0.672 58.346 59.018 -0.001 0.000 1.618 473 C CB -0.211 27.533 27.740 0.007 0.000 2.278 473 C HN 1.028 nan 8.230 nan 0.000 0.499 474 K N 2.301 122.701 120.400 0.001 0.000 2.356 474 K HA 0.078 4.398 4.320 -0.000 0.000 0.195 474 K C 0.276 176.887 176.600 0.019 0.000 1.037 474 K CA 0.090 56.387 56.287 0.017 0.000 1.014 474 K CB 0.149 32.645 32.500 -0.007 0.000 0.815 474 K HN 0.733 nan 8.250 nan 0.000 0.507 475 D N 2.949 123.353 120.400 0.008 0.000 2.472 475 D HA 0.035 4.674 4.640 -0.000 0.000 0.237 475 D C -2.299 174.005 176.300 0.008 0.000 1.141 475 D CA -0.758 53.243 54.000 0.002 0.000 0.875 475 D CB 0.602 41.397 40.800 -0.009 0.000 1.192 475 D HN -0.050 nan 8.370 nan 0.000 0.450 476 P HA -0.009 nan 4.420 nan 0.000 0.269 476 P C -0.195 177.109 177.300 0.006 0.000 1.215 476 P CA -0.377 62.728 63.100 0.009 0.000 0.780 476 P CB 0.576 32.279 31.700 0.006 0.000 0.898 477 V N 4.206 124.129 119.914 0.016 0.000 2.493 477 V HA -0.048 4.072 4.120 -0.000 0.000 0.292 477 V C 0.879 176.982 176.094 0.014 0.000 1.016 477 V CA 0.313 62.625 62.300 0.021 0.000 1.097 477 V CB -0.155 31.698 31.823 0.049 0.000 0.947 477 V HN 0.472 nan 8.190 nan 0.000 0.479 478 Q N 3.778 123.577 119.800 -0.003 0.000 2.394 478 Q HA 0.148 4.488 4.340 -0.000 0.000 0.248 478 Q C 1.033 177.047 176.000 0.024 0.000 0.992 478 Q CA -0.127 55.673 55.803 -0.005 0.000 0.888 478 Q CB 0.958 29.674 28.738 -0.037 0.000 1.257 478 Q HN 0.730 nan 8.270 nan 0.000 0.462 479 E N 0.898 121.111 120.200 0.021 0.000 2.047 479 E HA -0.062 4.287 4.350 -0.000 0.000 0.191 479 E C 0.002 176.634 176.600 0.054 0.000 0.987 479 E CA 1.011 57.432 56.400 0.035 0.000 0.799 479 E CB 0.136 29.848 29.700 0.020 0.000 0.752 479 E HN 0.626 nan 8.360 nan 0.000 0.449 480 A N 1.015 123.856 122.820 0.034 0.000 2.302 480 A HA 0.010 4.330 4.320 -0.000 0.000 0.295 480 A C 0.391 178.011 177.584 0.061 0.000 1.235 480 A CA -0.450 51.615 52.037 0.046 0.000 0.876 480 A CB -0.243 18.761 19.000 0.007 0.000 1.133 480 A HN 0.542 nan 8.150 nan 0.000 0.533 481 W N 3.197 124.453 121.300 -0.072 0.000 2.325 481 W HA -0.301 4.359 4.660 -0.000 0.000 0.299 481 W C 1.523 177.978 176.519 -0.108 0.000 1.215 481 W CA 2.174 59.466 57.345 -0.087 0.000 1.244 481 W CB -0.073 29.324 29.460 -0.105 0.000 1.140 481 W HN 0.763 nan 8.180 nan 0.000 0.523 482 A N 0.424 123.153 122.820 -0.150 0.000 1.930 482 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 482 A C 1.796 179.223 177.584 -0.262 0.000 1.175 482 A CA 1.700 53.582 52.037 -0.258 0.000 0.627 482 A CB -0.826 18.086 19.000 -0.145 0.000 0.815 482 A HN 0.443 nan 8.150 nan 0.000 0.443 483 E N -0.837 119.252 120.200 -0.184 0.000 2.274 483 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 483 E C 1.342 177.827 176.600 -0.193 0.000 0.996 483 E CA 0.902 57.211 56.400 -0.152 0.000 0.840 483 E CB -0.026 29.619 29.700 -0.091 0.000 0.772 483 E HN 0.698 nan 8.360 nan 0.000 0.491 484 D N -0.692 119.542 120.400 -0.277 0.000 2.213 484 D HA -0.085 4.555 4.640 -0.000 0.000 0.205 484 D C 1.740 177.785 176.300 -0.425 0.000 0.961 484 D CA 0.476 54.288 54.000 -0.313 0.000 0.853 484 D CB 0.381 40.991 40.800 -0.316 0.000 0.967 484 D HN -0.074 nan 8.370 nan 0.000 0.496 485 V N 0.581 120.135 119.914 -0.601 0.000 2.270 485 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 485 V C 1.868 177.796 176.094 -0.276 0.000 1.043 485 V CA 1.802 63.797 62.300 -0.507 0.000 1.014 485 V CB -0.556 30.922 31.823 -0.575 0.000 0.645 485 V HN 0.177 nan 8.190 nan 0.000 0.447 486 D N -0.012 120.248 120.400 -0.234 0.000 2.133 486 D HA -0.219 4.421 4.640 -0.000 0.000 0.192 486 D C 2.012 178.246 176.300 -0.111 0.000 1.001 486 D CA 1.585 55.497 54.000 -0.146 0.000 0.844 486 D CB -0.333 40.392 40.800 -0.125 0.000 0.944 486 D HN 0.379 nan 8.370 nan 0.000 0.447 487 L N 0.241 121.392 121.223 -0.120 0.000 2.027 487 L HA -0.143 4.196 4.340 -0.000 0.000 0.206 487 L C 2.395 179.224 176.870 -0.067 0.000 1.074 487 L CA 1.325 56.115 54.840 -0.082 0.000 0.745 487 L CB 0.012 42.023 42.059 -0.081 0.000 0.898 487 L HN -0.080 nan 8.230 nan 0.000 0.433 488 R N -1.058 119.387 120.500 -0.092 0.000 2.096 488 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 488 R C 2.103 178.381 176.300 -0.037 0.000 1.127 488 R CA 1.462 57.525 56.100 -0.063 0.000 0.968 488 R CB -0.426 29.822 30.300 -0.088 0.000 0.861 488 R HN 0.295 nan 8.270 nan 0.000 0.440 489 V N 1.666 121.546 119.914 -0.057 0.000 2.270 489 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 489 V C 1.757 177.850 176.094 -0.003 0.000 1.043 489 V CA 1.750 64.031 62.300 -0.031 0.000 1.014 489 V CB -0.526 31.264 31.823 -0.055 0.000 0.645 489 V HN 0.329 nan 8.190 nan 0.000 0.447 490 N N 0.069 118.759 118.700 -0.016 0.000 2.272 490 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 490 N C 1.607 177.132 175.510 0.025 0.000 1.014 490 N CA 1.204 54.257 53.050 0.005 0.000 0.870 490 N CB -0.477 38.003 38.487 -0.011 0.000 0.975 490 N HN 0.379 nan 8.380 nan 0.000 0.433 491 L N 0.891 122.124 121.223 0.017 0.000 2.056 491 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 491 L C 2.054 178.961 176.870 0.062 0.000 1.078 491 L CA 1.556 56.414 54.840 0.031 0.000 0.749 491 L CB -0.931 41.140 42.059 0.021 0.000 0.901 491 L HN 0.113 nan 8.230 nan 0.000 0.433 492 A N -0.904 121.964 122.820 0.080 0.000 1.930 492 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 492 A C 2.189 179.901 177.584 0.213 0.000 1.175 492 A CA 1.849 53.967 52.037 0.134 0.000 0.627 492 A CB -0.472 18.606 19.000 0.130 0.000 0.815 492 A HN 0.460 nan 8.150 nan 0.000 0.443 493 M N 0.006 119.726 119.600 0.201 0.000 2.065 493 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 493 M C 1.809 178.242 176.300 0.222 0.000 1.071 493 M CA 1.840 57.325 55.300 0.309 0.000 1.109 493 M CB -1.904 30.789 32.600 0.156 0.000 1.313 493 M HN 0.555 nan 8.290 nan 0.000 0.408 494 N N -0.297 118.460 118.700 0.094 0.000 2.166 494 N HA -0.114 4.626 4.740 -0.000 0.000 0.186 494 N C 1.757 177.235 175.510 -0.053 0.000 1.019 494 N CA 0.869 53.932 53.050 0.022 0.000 0.856 494 N CB 0.072 38.568 38.487 0.016 0.000 0.993 494 N HN 0.057 nan 8.380 nan 0.000 0.426 495 V N 0.767 120.655 119.914 -0.045 0.000 2.220 495 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 495 V C 2.478 178.348 176.094 -0.374 0.000 1.049 495 V CA 2.230 64.454 62.300 -0.126 0.000 1.003 495 V CB -1.293 30.521 31.823 -0.015 0.000 0.634 495 V HN 0.426 nan 8.190 nan 0.000 0.444 496 G N -0.839 107.693 108.800 -0.447 0.000 2.469 496 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 496 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 496 G C 1.680 175.921 174.900 -1.097 0.000 1.150 496 G CA 1.269 45.768 45.100 -1.001 0.000 0.763 496 G HN 0.486 nan 8.290 nan 0.000 0.561 497 K N 0.299 120.286 120.400 -0.687 0.000 2.025 497 K HA 0.073 4.393 4.320 -0.000 0.000 0.207 497 K C 2.830 179.253 176.600 -0.294 0.000 1.049 497 K CA 1.100 57.170 56.287 -0.362 0.000 0.933 497 K CB -0.233 32.229 32.500 -0.064 0.000 0.714 497 K HN 0.243 nan 8.250 nan 0.000 0.438 498 A N 0.840 123.495 122.820 -0.275 0.000 2.014 498 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 498 A C 1.843 179.253 177.584 -0.290 0.000 1.163 498 A CA 0.825 52.733 52.037 -0.215 0.000 0.652 498 A CB -0.157 18.752 19.000 -0.152 0.000 0.808 498 A HN 0.155 nan 8.150 nan 0.000 0.449 499 R N -1.197 119.002 120.500 -0.503 0.000 2.299 499 R HA 0.073 4.413 4.340 -0.000 0.000 0.197 499 R C 1.258 177.234 176.300 -0.541 0.000 0.971 499 R CA 0.775 56.480 56.100 -0.659 0.000 1.030 499 R CB -0.369 29.157 30.300 -1.289 0.000 0.932 499 R HN 0.770 nan 8.270 nan 0.000 0.477 500 G N 0.769 109.325 108.800 -0.407 0.000 2.147 500 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 500 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 500 G C 0.537 175.428 174.900 -0.014 0.000 1.005 500 G CA 0.100 45.098 45.100 -0.171 0.000 0.713 500 G HN 0.225 nan 8.290 nan 0.000 0.515 501 F N -0.093 119.650 119.950 -0.346 0.000 2.163 501 F HA 0.332 4.859 4.527 -0.000 0.000 0.297 501 F C 1.394 177.113 175.800 -0.134 0.000 1.094 501 F CA 0.719 58.537 58.000 -0.304 0.000 1.290 501 F CB -0.558 38.152 39.000 -0.483 0.000 1.017 501 F HN 0.416 nan 8.300 nan 0.000 0.483 502 F N -1.016 119.020 119.950 0.143 0.000 2.628 502 F HA 0.553 5.080 4.527 -0.000 0.000 0.309 502 F C -0.733 175.086 175.800 0.031 0.000 1.108 502 F CA -2.274 55.769 58.000 0.072 0.000 0.971 502 F CB 0.699 39.736 39.000 0.061 0.000 1.279 502 F HN -0.201 nan 8.300 nan 0.000 0.441 503 K N 1.144 121.698 120.400 0.257 0.000 2.210 503 K HA 0.476 4.796 4.320 -0.000 0.000 0.236 503 K C -0.552 176.149 176.600 0.169 0.000 1.016 503 K CA -1.226 55.162 56.287 0.168 0.000 0.913 503 K CB 1.565 34.119 32.500 0.090 0.000 1.141 503 K HN 0.735 nan 8.250 nan 0.000 0.462 504 K N -0.184 120.281 120.400 0.108 0.000 2.559 504 K HA -0.098 4.222 4.320 -0.000 0.000 0.279 504 K C 0.657 177.283 176.600 0.044 0.000 0.967 504 K CA 1.664 57.992 56.287 0.068 0.000 1.000 504 K CB -0.219 32.307 32.500 0.044 0.000 0.890 504 K HN 0.896 nan 8.250 nan 0.000 0.501 505 G N 2.388 111.198 108.800 0.016 0.000 2.155 505 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.257 505 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.257 505 G C -0.166 174.733 174.900 -0.003 0.000 0.983 505 G CA 0.482 45.584 45.100 0.002 0.000 0.676 505 G HN 0.717 nan 8.290 nan 0.000 0.528 506 D N -1.014 119.384 120.400 -0.003 0.000 2.423 506 D HA 0.582 5.222 4.640 -0.000 0.000 0.255 506 D C 0.354 176.597 176.300 -0.095 0.000 1.174 506 D CA 0.055 54.042 54.000 -0.022 0.000 1.008 506 D CB 1.863 42.682 40.800 0.031 0.000 1.101 506 D HN 0.451 nan 8.370 nan 0.000 0.516 507 V N 1.069 120.920 119.914 -0.105 0.000 2.540 507 V HA 0.572 4.692 4.120 -0.000 0.000 0.302 507 V C -0.759 175.231 176.094 -0.173 0.000 1.035 507 V CA -0.478 61.746 62.300 -0.126 0.000 0.873 507 V CB 1.468 33.248 31.823 -0.072 0.000 0.992 507 V HN 0.347 nan 8.190 nan 0.000 0.428 508 V N 5.722 125.506 119.914 -0.217 0.000 2.815 508 V HA 0.710 4.830 4.120 -0.000 0.000 0.314 508 V C -0.324 175.696 176.094 -0.122 0.000 1.064 508 V CA -0.962 61.210 62.300 -0.212 0.000 0.952 508 V CB 1.853 33.466 31.823 -0.351 0.000 1.020 508 V HN 0.698 nan 8.190 nan 0.000 0.439 509 I N 2.561 123.080 120.570 -0.085 0.000 2.499 509 I HA 0.556 4.726 4.170 -0.000 0.000 0.296 509 I C -0.122 175.971 176.117 -0.039 0.000 0.992 509 I CA -0.565 60.702 61.300 -0.056 0.000 1.297 509 I CB 1.454 39.424 38.000 -0.050 0.000 1.410 509 I HN 0.493 nan 8.210 nan 0.000 0.507 510 V N 6.792 126.693 119.914 -0.022 0.000 2.482 510 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 510 V C -0.211 175.893 176.094 0.016 0.000 1.026 510 V CA -0.557 61.739 62.300 -0.007 0.000 0.856 510 V CB 2.020 33.832 31.823 -0.018 0.000 1.001 510 V HN 0.437 nan 8.190 nan 0.000 0.424 511 L N 5.509 126.749 121.223 0.027 0.000 2.280 511 L HA 0.779 5.119 4.340 -0.000 0.000 0.287 511 L C 0.373 177.273 176.870 0.051 0.000 1.023 511 L CA 0.123 54.991 54.840 0.047 0.000 0.819 511 L CB 1.863 43.957 42.059 0.058 0.000 1.212 511 L HN 0.914 nan 8.230 nan 0.000 0.420 512 T N -0.328 114.266 114.554 0.066 0.000 2.865 512 T HA 0.708 5.058 4.350 -0.000 0.000 0.294 512 T C -0.066 174.707 174.700 0.121 0.000 1.119 512 T CA -0.745 61.403 62.100 0.081 0.000 1.007 512 T CB 1.763 70.662 68.868 0.051 0.000 1.225 512 T HN 0.506 nan 8.240 nan 0.000 0.515 513 G N -0.257 108.663 108.800 0.200 0.000 2.395 513 G HA2 0.381 4.341 3.960 -0.000 0.000 0.283 513 G HA3 0.381 4.341 3.960 -0.000 0.000 0.283 513 G C 0.362 175.467 174.900 0.341 0.000 1.178 513 G CA -0.859 44.360 45.100 0.198 0.000 0.837 513 G HN 0.820 nan 8.290 nan 0.000 0.518 514 W N 2.851 124.173 121.300 0.037 0.000 2.381 514 W HA 0.074 4.734 4.660 -0.000 0.000 0.301 514 W C 0.578 177.148 176.519 0.084 0.000 1.205 514 W CA 0.593 57.982 57.345 0.072 0.000 1.285 514 W CB 0.311 29.754 29.460 -0.028 0.000 1.133 514 W HN 0.380 nan 8.180 nan 0.000 0.521 515 R N -1.061 119.400 120.500 -0.066 0.000 2.892 515 R HA 0.198 4.538 4.340 -0.000 0.000 0.265 515 R C -1.502 174.111 176.300 -1.145 0.000 1.025 515 R CA -1.698 54.077 56.100 -0.540 0.000 0.982 515 R CB 1.027 31.182 30.300 -0.241 0.000 1.185 515 R HN -0.318 nan 8.270 nan 0.000 0.484 516 P HA -0.136 nan 4.420 nan 0.000 0.215 516 P C 1.065 177.955 177.300 -0.684 0.000 1.153 516 P CA 1.347 63.528 63.100 -1.531 0.000 0.853 516 P CB 0.083 31.271 31.700 -0.853 0.000 0.788 517 G N -0.990 107.549 108.800 -0.435 0.000 2.679 517 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 517 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 517 G C 0.477 175.277 174.900 -0.167 0.000 1.137 517 G CA 0.029 44.992 45.100 -0.228 0.000 0.787 517 G HN 0.213 nan 8.290 nan 0.000 0.534 518 S N 0.343 115.917 115.700 -0.209 0.000 2.544 518 S HA 0.284 4.754 4.470 -0.000 0.000 0.290 518 S C 1.673 176.224 174.600 -0.080 0.000 1.276 518 S CA 0.140 58.252 58.200 -0.147 0.000 1.075 518 S CB 1.379 64.486 63.200 -0.155 0.000 0.849 518 S HN 0.339 nan 8.310 nan 0.000 0.494 519 G N 2.063 110.859 108.800 -0.007 0.000 2.744 519 G HA2 0.294 4.254 3.960 -0.000 0.000 0.211 519 G HA3 0.294 4.254 3.960 -0.000 0.000 0.211 519 G C 0.083 175.163 174.900 0.302 0.000 1.143 519 G CA 0.293 45.488 45.100 0.158 0.000 0.788 519 G HN 0.695 nan 8.290 nan 0.000 0.534 520 F N -2.879 117.092 119.950 0.034 0.000 2.900 520 F HA 0.426 4.953 4.527 -0.000 0.000 0.321 520 F C -0.197 175.643 175.800 0.067 0.000 1.160 520 F CA -1.094 56.929 58.000 0.039 0.000 0.890 520 F CB 0.381 39.396 39.000 0.025 0.000 1.334 520 F HN -0.060 nan 8.300 nan 0.000 0.459 521 T N 0.637 115.267 114.554 0.127 0.000 3.121 521 T HA 0.151 4.501 4.350 -0.000 0.000 0.256 521 T C 0.294 174.977 174.700 -0.029 0.000 0.942 521 T CA -0.049 62.076 62.100 0.042 0.000 1.158 521 T CB -0.968 67.967 68.868 0.112 0.000 0.963 521 T HN 0.754 nan 8.240 nan 0.000 0.660 522 N N 1.336 119.820 118.700 -0.360 0.000 2.314 522 N HA 0.053 4.793 4.740 -0.000 0.000 0.200 522 N C -0.565 174.911 175.510 -0.056 0.000 1.135 522 N CA -0.568 52.283 53.050 -0.332 0.000 0.835 522 N CB 0.311 38.378 38.487 -0.699 0.000 0.989 522 N HN 0.489 nan 8.380 nan 0.000 0.478 523 T N 1.284 115.859 114.554 0.035 0.000 2.890 523 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 523 T C -0.905 173.849 174.700 0.089 0.000 0.993 523 T CA -0.647 61.518 62.100 0.108 0.000 0.979 523 T CB 1.598 70.627 68.868 0.268 0.000 0.967 523 T HN 0.057 nan 8.240 nan 0.000 0.441 524 M N 3.938 123.577 119.600 0.065 0.000 2.364 524 M HA 0.578 5.058 4.480 -0.000 0.000 0.334 524 M C -1.213 175.110 176.300 0.038 0.000 1.107 524 M CA -0.457 54.869 55.300 0.045 0.000 0.988 524 M CB 1.345 33.962 32.600 0.029 0.000 1.673 524 M HN 0.614 nan 8.290 nan 0.000 0.441 525 R N 2.433 122.948 120.500 0.024 0.000 2.744 525 R HA 0.678 5.018 4.340 -0.000 0.000 0.279 525 R C -0.950 175.343 176.300 -0.012 0.000 0.977 525 R CA -0.951 55.157 56.100 0.013 0.000 0.906 525 R CB 2.353 32.666 30.300 0.020 0.000 1.197 525 R HN 0.595 nan 8.270 nan 0.000 0.463 526 V N -0.214 119.689 119.914 -0.019 0.000 2.370 526 V HA 0.662 4.782 4.120 -0.000 0.000 0.279 526 V C -0.353 175.716 176.094 -0.041 0.000 1.029 526 V CA -0.519 61.759 62.300 -0.037 0.000 0.870 526 V CB 1.485 33.288 31.823 -0.035 0.000 0.984 526 V HN 0.401 nan 8.190 nan 0.000 0.451 527 V N 6.958 126.833 119.914 -0.064 0.000 2.588 527 V HA 0.537 4.657 4.120 -0.000 0.000 0.304 527 V C -2.300 173.738 176.094 -0.093 0.000 1.042 527 V CA -1.744 60.515 62.300 -0.068 0.000 0.877 527 V CB 2.425 34.207 31.823 -0.068 0.000 0.996 527 V HN 0.858 nan 8.190 nan 0.000 0.425 528 P HA 0.127 nan 4.420 nan 0.000 0.271 528 P C -0.334 176.907 177.300 -0.098 0.000 1.220 528 P CA 0.062 63.115 63.100 -0.077 0.000 0.768 528 P CB 0.951 32.623 31.700 -0.047 0.000 0.848 529 V N 6.653 126.487 119.914 -0.133 0.000 2.450 529 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 529 V C -1.134 174.938 176.094 -0.037 0.000 1.019 529 V CA -0.858 61.362 62.300 -0.134 0.000 1.062 529 V CB -0.198 31.517 31.823 -0.181 0.000 0.979 529 V HN 0.631 nan 8.190 nan 0.000 0.477 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.102 63.100 0.003 0.000 0.800 530 P CB 0.000 31.701 31.700 0.001 0.000 0.726