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 2p5b_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASESETLNPS ARIMTFYPTM EEFRNFSRYI AYIESQGAHR AGLAKVVPPK DATA SEQUENCE EWKPRASYDD IDDLVIPAPI QQLVTGQSGL FTQYNIQKKA MTVREFRKIA DATA SEQUENCE NSDKYCTPRY SEFEELERKY WKNLTFNPPI YGADVNGTLY EKHVDEWNIG DATA SEQUENCE RLRTILDLVE KESGITIEGV NTPYLYFGMW KTSFAWHTED MDLYSINYLH DATA SEQUENCE FGEPKSWYSV PPEHGKRLER LAKGFFPGSA QSCEAFLRHK MTLISPLMLK DATA SEQUENCE KYGIPFDKVT QEAGEFMITF PYGYHAGFNH GFNCAESTNF ATRRWIEYGK DATA SEQUENCE QAVLCSCRKD MVKISMDVFV RKFQPERYKL WKAGKDNTVI DHTLPTP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.000 0.000 0.836 2 A CB 0.000 19.001 19.000 0.001 0.000 0.831 3 S N 2.770 118.471 115.700 0.001 0.000 2.078 3 S HA 0.410 4.884 4.470 0.006 0.000 0.168 3 S C 0.912 175.514 174.600 0.004 0.000 1.542 3 S CA 0.230 58.431 58.200 0.002 0.000 1.223 3 S CB -0.053 63.147 63.200 0.000 0.000 1.152 3 S HN 1.406 nan 8.310 nan 0.000 0.452 4 E N -0.115 120.087 120.200 0.004 0.000 4.074 4 E HA -0.352 4.002 4.350 0.006 0.000 0.282 4 E C 1.145 177.749 176.600 0.006 0.000 0.675 4 E CA 1.986 58.389 56.400 0.005 0.000 1.151 4 E CB -1.781 27.923 29.700 0.007 0.000 1.639 4 E HN 0.501 nan 8.360 nan 0.000 0.409 5 S N 0.614 116.319 115.700 0.009 0.000 2.348 5 S HA -0.101 4.373 4.470 0.006 0.000 0.219 5 S C 1.622 176.226 174.600 0.007 0.000 1.033 5 S CA 1.348 59.559 58.200 0.020 0.000 0.974 5 S CB -0.102 63.113 63.200 0.025 0.000 0.868 5 S HN 0.493 nan 8.310 nan 0.000 0.459 6 E N -0.026 120.175 120.200 0.001 0.000 2.481 6 E HA 0.041 4.395 4.350 0.006 0.000 0.195 6 E C 1.313 177.906 176.600 -0.012 0.000 1.047 6 E CA 0.693 57.088 56.400 -0.009 0.000 0.867 6 E CB 0.039 29.738 29.700 -0.003 0.000 0.858 6 E HN 0.458 nan 8.360 nan 0.000 0.513 7 T N 0.846 115.395 114.554 -0.008 0.000 3.067 7 T HA 0.093 4.447 4.350 0.006 0.000 0.257 7 T C 0.693 175.386 174.700 -0.013 0.000 1.105 7 T CA 0.301 62.397 62.100 -0.007 0.000 1.104 7 T CB 0.182 69.049 68.868 -0.002 0.000 0.925 7 T HN 0.015 nan 8.240 nan 0.000 0.498 8 L N 2.521 123.732 121.223 -0.020 0.000 2.292 8 L HA 0.363 4.707 4.340 0.006 0.000 0.284 8 L C 0.482 177.319 176.870 -0.055 0.000 1.065 8 L CA -0.684 54.139 54.840 -0.029 0.000 0.806 8 L CB 0.324 42.369 42.059 -0.023 0.000 1.175 8 L HN 0.111 nan 8.230 nan 0.000 0.431 9 N N 2.667 121.338 118.700 -0.049 0.000 2.669 9 N HA -0.156 4.587 4.740 0.006 0.000 0.266 9 N C -1.957 173.517 175.510 -0.059 0.000 1.024 9 N CA 0.099 53.113 53.050 -0.060 0.000 0.766 9 N CB -0.312 38.121 38.487 -0.091 0.000 0.898 9 N HN 0.362 nan 8.380 nan 0.000 0.548 10 P HA -0.113 nan 4.420 nan 0.000 0.220 10 P C 1.247 178.541 177.300 -0.010 0.000 1.148 10 P CA 1.632 64.719 63.100 -0.021 0.000 0.803 10 P CB -0.026 31.667 31.700 -0.011 0.000 0.782 11 S N -0.847 114.845 115.700 -0.014 0.000 2.496 11 S HA 0.232 4.706 4.470 0.006 0.000 0.224 11 S C 1.232 175.832 174.600 -0.001 0.000 0.996 11 S CA 0.351 58.548 58.200 -0.005 0.000 0.927 11 S CB -1.052 62.140 63.200 -0.014 0.000 0.774 11 S HN 0.205 nan 8.310 nan 0.000 0.524 12 A N 0.817 123.623 122.820 -0.023 0.000 2.667 12 A HA -0.179 4.145 4.320 0.006 0.000 0.298 12 A C 0.326 177.903 177.584 -0.011 0.000 1.483 12 A CA 0.798 52.815 52.037 -0.034 0.000 0.738 12 A CB -2.247 16.755 19.000 0.002 0.000 1.067 12 A HN 0.689 nan 8.150 nan 0.000 0.451 13 R N -0.824 119.663 120.500 -0.021 0.000 2.674 13 R HA 0.685 5.029 4.340 0.006 0.000 0.266 13 R C 0.324 176.623 176.300 -0.003 0.000 1.016 13 R CA -0.913 55.183 56.100 -0.007 0.000 1.062 13 R CB 0.879 31.167 30.300 -0.019 0.000 1.142 13 R HN 0.511 nan 8.270 nan 0.000 0.517 14 I N 3.098 123.677 120.570 0.016 0.000 2.581 14 I HA -0.012 4.162 4.170 0.006 0.000 0.285 14 I C 0.368 176.480 176.117 -0.008 0.000 1.129 14 I CA 0.788 62.103 61.300 0.025 0.000 1.397 14 I CB 0.195 38.211 38.000 0.027 0.000 1.399 14 I HN 0.325 nan 8.210 nan 0.000 0.537 15 M N 5.371 124.975 119.600 0.006 0.000 2.528 15 M HA 0.411 4.895 4.480 0.006 0.000 0.318 15 M C -0.138 176.082 176.300 -0.133 0.000 1.195 15 M CA -0.332 54.900 55.300 -0.114 0.000 1.000 15 M CB 1.816 34.323 32.600 -0.154 0.000 1.615 15 M HN 0.421 nan 8.290 nan 0.000 0.469 16 T N 1.591 115.952 114.554 -0.321 0.000 2.841 16 T HA 0.711 5.065 4.350 0.006 0.000 0.283 16 T C -1.209 173.221 174.700 -0.449 0.000 1.000 16 T CA -0.416 61.549 62.100 -0.224 0.000 0.977 16 T CB 0.813 69.609 68.868 -0.120 0.000 0.979 16 T HN 0.282 nan 8.240 nan 0.000 0.446 17 F N 1.387 121.322 119.950 -0.025 0.000 2.546 17 F HA 0.554 5.085 4.527 0.006 0.000 0.320 17 F C -0.747 174.993 175.800 -0.100 0.000 1.076 17 F CA -1.106 56.973 58.000 0.132 0.000 0.928 17 F CB 1.589 40.770 39.000 0.300 0.000 1.189 17 F HN 0.497 nan 8.300 nan 0.000 0.465 18 Y N 2.441 122.905 120.300 0.273 0.000 2.787 18 Y HA 0.336 4.890 4.550 0.007 0.000 0.352 18 Y C -2.320 173.626 175.900 0.075 0.000 1.027 18 Y CA -2.652 55.507 58.100 0.098 0.000 1.219 18 Y CB -0.010 38.472 38.460 0.037 0.000 1.110 18 Y HN 0.261 nan 8.280 nan 0.000 0.614 19 P HA 0.115 nan 4.420 nan 0.000 0.274 19 P C 0.228 177.444 177.300 -0.139 0.000 1.231 19 P CA -0.150 62.886 63.100 -0.107 0.000 0.790 19 P CB 1.529 32.804 31.700 -0.709 0.000 0.951 20 T N -1.109 113.395 114.554 -0.083 0.000 2.816 20 T HA 0.151 4.505 4.350 0.006 0.000 0.282 20 T C 1.268 175.915 174.700 -0.088 0.000 0.993 20 T CA -0.598 61.461 62.100 -0.067 0.000 0.994 20 T CB 0.313 69.166 68.868 -0.026 0.000 1.025 20 T HN 0.262 nan 8.240 nan 0.000 0.529 21 M N 0.251 119.819 119.600 -0.053 0.000 2.279 21 M HA -0.015 4.469 4.480 0.006 0.000 0.264 21 M C 1.966 178.291 176.300 0.043 0.000 1.062 21 M CA 1.476 56.777 55.300 0.002 0.000 1.099 21 M CB -1.090 31.530 32.600 0.034 0.000 1.394 21 M HN 0.710 nan 8.290 nan 0.000 0.426 22 E N 0.339 120.546 120.200 0.012 0.000 2.072 22 E HA -0.148 4.206 4.350 0.006 0.000 0.190 22 E C 1.902 178.501 176.600 -0.001 0.000 0.982 22 E CA 1.444 57.851 56.400 0.011 0.000 0.803 22 E CB -0.174 29.527 29.700 0.002 0.000 0.755 22 E HN 0.691 nan 8.360 nan 0.000 0.453 23 E N -0.354 119.828 120.200 -0.030 0.000 2.107 23 E HA -0.127 4.227 4.350 0.006 0.000 0.191 23 E C 1.904 178.439 176.600 -0.109 0.000 0.982 23 E CA 0.412 56.783 56.400 -0.047 0.000 0.809 23 E CB -0.240 29.423 29.700 -0.062 0.000 0.756 23 E HN 0.124 nan 8.360 nan 0.000 0.459 24 F N 2.345 122.076 119.950 -0.364 0.000 2.269 24 F HA -0.089 4.442 4.527 0.006 0.000 0.301 24 F C 2.349 178.084 175.800 -0.109 0.000 1.082 24 F CA 1.118 58.850 58.000 -0.445 0.000 1.360 24 F CB -0.001 38.632 39.000 -0.613 0.000 1.041 24 F HN -0.203 nan 8.300 nan 0.000 0.512 25 R N 0.498 120.987 120.500 -0.018 0.000 2.096 25 R HA -0.196 4.147 4.340 0.006 0.000 0.240 25 R C 0.614 176.893 176.300 -0.034 0.000 1.139 25 R CA 1.450 57.543 56.100 -0.013 0.000 0.952 25 R CB -0.463 29.854 30.300 0.028 0.000 0.854 25 R HN 0.131 nan 8.270 nan 0.000 0.436 26 N N 0.445 119.133 118.700 -0.020 0.000 2.439 26 N HA -0.042 4.702 4.740 0.006 0.000 0.249 26 N C 0.104 175.580 175.510 -0.057 0.000 1.003 26 N CA -0.086 52.943 53.050 -0.034 0.000 0.942 26 N CB 0.778 39.251 38.487 -0.025 0.000 1.115 26 N HN 0.059 nan 8.380 nan 0.000 0.505 27 F N 3.866 123.611 119.950 -0.340 0.000 2.031 27 F HA -0.212 4.319 4.527 0.006 0.000 0.295 27 F C 2.472 177.971 175.800 -0.501 0.000 1.133 27 F CA 2.230 59.834 58.000 -0.661 0.000 1.188 27 F CB -0.604 37.789 39.000 -1.011 0.000 0.974 27 F HN 0.599 nan 8.300 nan 0.000 0.473 28 S N 0.636 116.072 115.700 -0.439 0.000 2.387 28 S HA -0.298 4.176 4.470 0.006 0.000 0.230 28 S C 2.272 176.670 174.600 -0.338 0.000 1.035 28 S CA 1.384 59.314 58.200 -0.450 0.000 1.014 28 S CB -0.944 62.132 63.200 -0.206 0.000 0.836 28 S HN 0.576 nan 8.310 nan 0.000 0.466 29 R N -0.410 119.971 120.500 -0.198 0.000 2.066 29 R HA -0.106 4.237 4.340 0.006 0.000 0.232 29 R C 2.283 178.550 176.300 -0.055 0.000 1.131 29 R CA 1.425 57.469 56.100 -0.093 0.000 0.955 29 R CB -0.557 29.726 30.300 -0.029 0.000 0.851 29 R HN 0.508 nan 8.270 nan 0.000 0.432 30 Y N 1.199 121.384 120.300 -0.193 0.000 2.224 30 Y HA -0.196 4.358 4.550 0.006 0.000 0.289 30 Y C 2.052 177.850 175.900 -0.171 0.000 1.146 30 Y CA 1.260 59.307 58.100 -0.088 0.000 1.182 30 Y CB -0.081 38.383 38.460 0.006 0.000 0.983 30 Y HN 0.051 nan 8.280 nan 0.000 0.524 31 I N -0.091 120.232 120.570 -0.412 0.000 2.163 31 I HA -0.314 3.860 4.170 0.006 0.000 0.243 31 I C 2.612 178.565 176.117 -0.272 0.000 1.085 31 I CA 1.614 62.650 61.300 -0.441 0.000 1.347 31 I CB -1.923 35.686 38.000 -0.652 0.000 1.044 31 I HN 0.277 nan 8.210 nan 0.000 0.408 32 A N -0.126 122.559 122.820 -0.225 0.000 1.972 32 A HA -0.270 4.054 4.320 0.006 0.000 0.219 32 A C 2.341 179.833 177.584 -0.153 0.000 1.169 32 A CA 1.417 53.366 52.037 -0.147 0.000 0.635 32 A CB -1.001 17.939 19.000 -0.100 0.000 0.810 32 A HN 0.501 nan 8.150 nan 0.000 0.446 33 Y N 1.554 121.680 120.300 -0.291 0.000 2.163 33 Y HA -0.181 4.373 4.550 0.006 0.000 0.288 33 Y C 2.040 177.701 175.900 -0.398 0.000 1.136 33 Y CA 1.703 59.613 58.100 -0.316 0.000 1.147 33 Y CB -0.423 37.806 38.460 -0.384 0.000 0.987 33 Y HN 0.410 nan 8.280 nan 0.000 0.509 34 I N -1.691 118.330 120.570 -0.915 0.000 2.493 34 I HA -0.156 4.017 4.170 0.006 0.000 0.254 34 I C 1.653 177.476 176.117 -0.490 0.000 1.160 34 I CA 1.752 62.409 61.300 -1.071 0.000 1.445 34 I CB -0.593 36.659 38.000 -1.247 0.000 1.086 34 I HN 0.236 nan 8.210 nan 0.000 0.433 35 E N 1.911 121.937 120.200 -0.290 0.000 2.208 35 E HA -0.133 4.221 4.350 0.006 0.000 0.193 35 E C 2.409 178.956 176.600 -0.088 0.000 0.988 35 E CA 1.443 57.774 56.400 -0.115 0.000 0.828 35 E CB -0.063 29.487 29.700 -0.249 0.000 0.763 35 E HN 0.742 nan 8.360 nan 0.000 0.478 36 S N 0.852 116.430 115.700 -0.204 0.000 2.447 36 S HA -0.107 4.367 4.470 0.006 0.000 0.233 36 S C 1.716 176.238 174.600 -0.130 0.000 1.006 36 S CA 0.664 58.782 58.200 -0.138 0.000 0.957 36 S CB 0.063 63.183 63.200 -0.133 0.000 0.773 36 S HN 0.087 nan 8.310 nan 0.000 0.507 37 Q N 0.605 120.277 119.800 -0.214 0.000 2.320 37 Q HA 0.305 4.649 4.340 0.006 0.000 0.201 37 Q C 1.357 177.340 176.000 -0.028 0.000 0.910 37 Q CA 0.580 56.320 55.803 -0.105 0.000 0.946 37 Q CB 0.023 28.718 28.738 -0.073 0.000 1.062 37 Q HN 0.783 nan 8.270 nan 0.000 0.503 38 G N 0.680 109.466 108.800 -0.022 0.000 2.148 38 G HA2 -0.369 3.595 3.960 0.006 0.000 0.254 38 G HA3 -0.369 3.595 3.960 0.006 0.000 0.254 38 G C 1.044 175.790 174.900 -0.257 0.000 0.981 38 G CA 0.621 45.640 45.100 -0.135 0.000 0.670 38 G HN 0.479 nan 8.290 nan 0.000 0.528 39 A N 0.702 123.463 122.820 -0.097 0.000 1.978 39 A HA -0.085 4.239 4.320 0.006 0.000 0.220 39 A C 2.054 179.293 177.584 -0.576 0.000 1.170 39 A CA 2.240 54.209 52.037 -0.114 0.000 0.636 39 A CB -0.739 18.314 19.000 0.087 0.000 0.810 39 A HN 1.251 nan 8.150 nan 0.000 0.448 40 H N -0.917 117.564 119.070 -0.983 0.000 2.491 40 H HA 0.011 4.571 4.556 0.006 0.000 0.290 40 H C 1.615 176.596 175.328 -0.577 0.000 1.050 40 H CA 1.097 56.269 56.048 -1.460 0.000 1.309 40 H CB -0.451 28.727 29.762 -0.972 0.000 1.392 40 H HN 0.361 nan 8.280 nan 0.000 0.554 41 R N 1.068 121.093 120.500 -0.791 0.000 2.127 41 R HA 0.009 4.353 4.340 0.006 0.000 0.238 41 R C 2.291 178.479 176.300 -0.187 0.000 1.134 41 R CA 1.210 57.054 56.100 -0.427 0.000 0.975 41 R CB -0.631 29.455 30.300 -0.356 0.000 0.865 41 R HN 0.511 nan 8.270 nan 0.000 0.447 42 A N -0.550 122.177 122.820 -0.155 0.000 2.123 42 A HA 0.251 4.574 4.320 0.006 0.000 0.214 42 A C 1.616 179.245 177.584 0.075 0.000 1.152 42 A CA 1.110 53.144 52.037 -0.005 0.000 0.728 42 A CB -0.010 19.002 19.000 0.019 0.000 0.814 42 A HN 0.418 nan 8.150 nan 0.000 0.464 43 G N -1.866 106.963 108.800 0.050 0.000 2.205 43 G HA2 -0.201 3.763 3.960 0.006 0.000 0.261 43 G HA3 -0.201 3.763 3.960 0.006 0.000 0.261 43 G C 0.039 175.155 174.900 0.359 0.000 0.980 43 G CA 0.473 45.700 45.100 0.211 0.000 0.632 43 G HN 0.775 nan 8.290 nan 0.000 0.533 44 L N -0.192 121.219 121.223 0.313 0.000 2.513 44 L HA 0.729 5.073 4.340 0.006 0.000 0.261 44 L C -0.660 176.356 176.870 0.243 0.000 0.945 44 L CA -0.293 54.668 54.840 0.203 0.000 0.848 44 L CB 2.098 44.194 42.059 0.061 0.000 1.334 44 L HN 0.716 nan 8.230 nan 0.000 0.407 45 A N 3.655 126.614 122.820 0.231 0.000 2.515 45 A HA 0.630 4.954 4.320 0.006 0.000 0.298 45 A C -1.677 175.978 177.584 0.119 0.000 1.059 45 A CA -0.665 51.531 52.037 0.265 0.000 0.698 45 A CB 2.330 21.645 19.000 0.525 0.000 1.289 45 A HN 0.607 nan 8.150 nan 0.000 0.404 46 K N 1.189 121.657 120.400 0.114 0.000 2.164 46 K HA 0.720 5.043 4.320 0.006 0.000 0.258 46 K C -1.652 175.038 176.600 0.150 0.000 0.951 46 K CA -0.416 55.893 56.287 0.037 0.000 0.844 46 K CB 1.649 34.103 32.500 -0.076 0.000 1.099 46 K HN 0.455 nan 8.250 nan 0.000 0.435 47 V N 4.196 124.198 119.914 0.146 0.000 2.482 47 V HA 0.239 4.363 4.120 0.006 0.000 0.295 47 V C -0.730 175.356 176.094 -0.012 0.000 1.026 47 V CA -1.011 61.367 62.300 0.130 0.000 0.856 47 V CB 1.714 33.667 31.823 0.218 0.000 1.001 47 V HN 0.551 nan 8.190 nan 0.000 0.424 48 V N 7.651 127.420 119.914 -0.241 0.000 2.385 48 V HA 0.346 4.469 4.120 0.006 0.000 0.269 48 V C -2.120 173.797 176.094 -0.294 0.000 1.043 48 V CA -1.753 60.390 62.300 -0.262 0.000 0.906 48 V CB 1.363 32.904 31.823 -0.471 0.000 0.995 48 V HN 0.709 nan 8.190 nan 0.000 0.467 49 P HA 0.254 nan 4.420 nan 0.000 0.274 49 P C -2.577 174.441 177.300 -0.471 0.000 1.237 49 P CA -1.627 61.013 63.100 -0.766 0.000 0.793 49 P CB -0.222 31.076 31.700 -0.670 0.000 0.977 50 P HA -0.025 nan 4.420 nan 0.000 0.265 50 P C 0.745 178.001 177.300 -0.074 0.000 1.193 50 P CA 0.025 62.981 63.100 -0.240 0.000 0.765 50 P CB 0.672 32.228 31.700 -0.240 0.000 0.823 51 K N 2.869 123.263 120.400 -0.009 0.000 2.173 51 K HA -0.219 4.105 4.320 0.006 0.000 0.207 51 K C 0.689 177.321 176.600 0.054 0.000 1.046 51 K CA 1.979 58.287 56.287 0.035 0.000 0.929 51 K CB -0.527 31.992 32.500 0.031 0.000 0.720 51 K HN 0.365 nan 8.250 nan 0.000 0.453 52 E N -0.206 120.025 120.200 0.052 0.000 2.403 52 E HA 0.030 4.384 4.350 0.006 0.000 0.187 52 E C -0.403 176.260 176.600 0.105 0.000 1.073 52 E CA -0.136 56.300 56.400 0.059 0.000 0.888 52 E CB -0.374 29.354 29.700 0.046 0.000 1.035 52 E HN 0.470 nan 8.360 nan 0.000 0.471 53 W N 1.512 122.768 121.300 -0.073 0.000 2.551 53 W HA 0.561 5.225 4.660 0.006 0.000 0.330 53 W C -0.822 175.683 176.519 -0.022 0.000 1.063 53 W CA -0.784 56.527 57.345 -0.056 0.000 1.222 53 W CB 1.105 30.468 29.460 -0.160 0.000 1.349 53 W HN -0.361 nan 8.180 nan 0.000 0.536 54 K N 6.087 125.884 120.400 -1.006 0.000 2.557 54 K HA 0.196 4.520 4.320 0.006 0.000 0.257 54 K C -2.164 173.670 176.600 -1.277 0.000 0.933 54 K CA -1.458 54.254 56.287 -0.958 0.000 0.820 54 K CB 2.383 34.656 32.500 -0.378 0.000 1.330 54 K HN 0.309 nan 8.250 nan 0.000 0.432 55 P HA 0.042 nan 4.420 nan 0.000 0.235 55 P C -0.170 176.816 177.300 -0.523 0.000 1.177 55 P CA 0.406 62.950 63.100 -0.927 0.000 0.785 55 P CB 1.204 32.144 31.700 -1.266 0.000 0.885 56 R N -1.485 118.763 120.500 -0.420 0.000 2.680 56 R HA 0.586 4.929 4.340 0.006 0.000 0.269 56 R C 0.534 176.629 176.300 -0.341 0.000 1.026 56 R CA -0.226 55.653 56.100 -0.368 0.000 0.889 56 R CB 1.142 31.125 30.300 -0.529 0.000 1.241 56 R HN -0.236 nan 8.270 nan 0.000 0.463 57 A N 1.489 124.155 122.820 -0.257 0.000 1.855 57 A HA 0.077 4.401 4.320 0.006 0.000 0.215 57 A C 0.324 177.773 177.584 -0.225 0.000 1.191 57 A CA 1.640 53.566 52.037 -0.185 0.000 0.613 57 A CB -0.298 18.631 19.000 -0.118 0.000 0.829 57 A HN 0.803 nan 8.150 nan 0.000 0.442 58 S N -3.729 111.778 115.700 -0.322 0.000 2.565 58 S HA 0.580 5.054 4.470 0.006 0.000 0.269 58 S C -0.982 173.376 174.600 -0.402 0.000 1.153 58 S CA -0.571 57.461 58.200 -0.280 0.000 0.835 58 S CB 0.398 63.535 63.200 -0.105 0.000 1.122 58 S HN 0.274 nan 8.310 nan 0.000 0.462 59 Y N 0.299 120.560 120.300 -0.065 0.000 2.781 59 Y HA 0.377 4.930 4.550 0.006 0.000 0.326 59 Y C 0.149 175.978 175.900 -0.117 0.000 1.019 59 Y CA -0.786 57.261 58.100 -0.088 0.000 1.372 59 Y CB 0.197 38.542 38.460 -0.193 0.000 1.260 59 Y HN 0.612 nan 8.280 nan 0.000 0.546 60 D N 0.738 121.149 120.400 0.019 0.000 2.561 60 D HA 0.039 4.683 4.640 0.006 0.000 0.232 60 D C -0.104 176.203 176.300 0.011 0.000 1.198 60 D CA 0.390 54.393 54.000 0.005 0.000 0.826 60 D CB 0.084 40.880 40.800 -0.008 0.000 0.992 60 D HN 0.623 nan 8.370 nan 0.000 0.490 61 D N -0.546 119.872 120.400 0.030 0.000 2.712 61 D HA 0.052 4.696 4.640 0.006 0.000 0.300 61 D C 1.106 177.439 176.300 0.054 0.000 1.521 61 D CA -0.328 53.689 54.000 0.028 0.000 0.790 61 D CB -0.595 40.211 40.800 0.010 0.000 1.155 61 D HN 0.279 nan 8.370 nan 0.000 0.456 62 I N -4.419 116.202 120.570 0.084 0.000 4.240 62 I HA 0.364 4.538 4.170 0.006 0.000 0.331 62 I C 0.515 176.674 176.117 0.070 0.000 1.381 62 I CA -0.267 61.099 61.300 0.111 0.000 1.136 62 I CB 0.526 38.661 38.000 0.225 0.000 1.137 62 I HN -0.315 nan 8.210 nan 0.000 0.411 63 D N 2.698 123.128 120.400 0.051 0.000 2.311 63 D HA -0.172 4.472 4.640 0.006 0.000 0.212 63 D C 1.157 177.458 176.300 0.001 0.000 0.972 63 D CA 1.421 55.435 54.000 0.025 0.000 0.887 63 D CB 0.049 40.858 40.800 0.014 0.000 0.915 63 D HN 0.537 nan 8.370 nan 0.000 0.497 64 D N -0.758 119.646 120.400 0.006 0.000 2.305 64 D HA 0.017 4.661 4.640 0.006 0.000 0.206 64 D C 0.572 176.865 176.300 -0.013 0.000 0.974 64 D CA -0.229 53.769 54.000 -0.002 0.000 0.871 64 D CB 0.223 41.026 40.800 0.006 0.000 0.947 64 D HN 0.081 nan 8.370 nan 0.000 0.516 65 L N 1.439 122.656 121.223 -0.010 0.000 2.559 65 L HA 0.007 4.351 4.340 0.006 0.000 0.282 65 L C -0.490 176.337 176.870 -0.073 0.000 1.232 65 L CA 0.287 55.116 54.840 -0.019 0.000 0.885 65 L CB 0.546 42.612 42.059 0.012 0.000 1.131 65 L HN -0.204 nan 8.230 nan 0.000 0.498 66 V N 7.002 126.885 119.914 -0.051 0.000 2.427 66 V HA 0.325 4.449 4.120 0.006 0.000 0.286 66 V C 0.376 176.419 176.094 -0.084 0.000 1.034 66 V CA -0.420 61.842 62.300 -0.065 0.000 0.893 66 V CB 1.447 33.249 31.823 -0.035 0.000 0.982 66 V HN 0.576 nan 8.190 nan 0.000 0.452 67 I N 7.916 128.418 120.570 -0.114 0.000 2.313 67 I HA 0.243 4.417 4.170 0.006 0.000 0.286 67 I C -1.013 175.055 176.117 -0.081 0.000 1.091 67 I CA -1.599 59.627 61.300 -0.122 0.000 1.216 67 I CB 1.586 39.475 38.000 -0.185 0.000 1.434 67 I HN 0.526 nan 8.210 nan 0.000 0.487 68 P HA -0.184 nan 4.420 nan 0.000 0.216 68 P C 0.483 177.752 177.300 -0.053 0.000 1.150 68 P CA 1.208 64.275 63.100 -0.055 0.000 0.843 68 P CB 0.436 32.102 31.700 -0.056 0.000 0.787 69 A N -0.138 122.637 122.820 -0.074 0.000 3.266 69 A HA 0.467 4.791 4.320 0.006 0.000 0.310 69 A C -2.630 174.918 177.584 -0.059 0.000 1.066 69 A CA -1.290 50.713 52.037 -0.058 0.000 0.839 69 A CB 0.344 19.306 19.000 -0.064 0.000 1.192 69 A HN 0.049 nan 8.150 nan 0.000 0.496 70 P HA 0.498 nan 4.420 nan 0.000 0.272 70 P C -0.351 176.975 177.300 0.042 0.000 1.230 70 P CA 0.063 63.169 63.100 0.009 0.000 0.788 70 P CB 1.094 32.836 31.700 0.070 0.000 0.949 71 I N -2.175 118.445 120.570 0.083 0.000 2.608 71 I HA 0.527 4.701 4.170 0.006 0.000 0.295 71 I C -0.490 175.708 176.117 0.136 0.000 1.049 71 I CA -1.383 59.974 61.300 0.095 0.000 1.063 71 I CB 2.347 40.400 38.000 0.088 0.000 1.248 71 I HN 0.223 nan 8.210 nan 0.000 0.424 72 Q N 4.177 124.041 119.800 0.108 0.000 2.257 72 Q HA 0.353 4.697 4.340 0.006 0.000 0.255 72 Q C -1.107 174.959 176.000 0.111 0.000 0.920 72 Q CA -0.557 55.307 55.803 0.102 0.000 0.927 72 Q CB 1.442 30.228 28.738 0.079 0.000 1.229 72 Q HN 0.681 nan 8.270 nan 0.000 0.433 73 Q N 3.879 123.741 119.800 0.104 0.000 2.456 73 Q HA 0.243 4.587 4.340 0.006 0.000 0.234 73 Q C -1.080 174.964 176.000 0.074 0.000 1.061 73 Q CA -0.501 55.358 55.803 0.093 0.000 0.896 73 Q CB 0.686 29.465 28.738 0.067 0.000 1.233 73 Q HN 0.460 nan 8.270 nan 0.000 0.506 74 L N 2.941 124.232 121.223 0.113 0.000 2.290 74 L HA 0.296 4.639 4.340 0.006 0.000 0.284 74 L C -0.351 176.608 176.870 0.148 0.000 1.078 74 L CA -0.134 54.772 54.840 0.110 0.000 0.815 74 L CB 1.404 43.531 42.059 0.113 0.000 1.162 74 L HN 0.289 nan 8.230 nan 0.000 0.435 75 V N 2.111 122.072 119.914 0.079 0.000 2.540 75 V HA 0.627 4.751 4.120 0.006 0.000 0.302 75 V C 0.002 176.177 176.094 0.135 0.000 1.035 75 V CA -0.623 61.736 62.300 0.098 0.000 0.873 75 V CB 1.971 33.748 31.823 -0.076 0.000 0.992 75 V HN 0.772 nan 8.190 nan 0.000 0.428 76 T N 2.620 117.328 114.554 0.258 0.000 2.863 76 T HA 0.880 5.233 4.350 0.006 0.000 0.285 76 T C -0.186 174.706 174.700 0.320 0.000 1.009 76 T CA 0.473 62.716 62.100 0.239 0.000 0.989 76 T CB 1.369 70.363 68.868 0.210 0.000 1.004 76 T HN 1.574 nan 8.240 nan 0.000 0.455 77 G N 2.659 111.604 108.800 0.241 0.000 2.359 77 G HA2 0.481 4.445 3.960 0.006 0.000 0.293 77 G HA3 0.481 4.445 3.960 0.006 0.000 0.293 77 G C -1.912 172.905 174.900 -0.139 0.000 1.300 77 G CA -0.179 44.928 45.100 0.012 0.000 0.888 77 G HN 1.034 nan 8.290 nan 0.000 0.541 78 Q N -1.956 117.517 119.800 -0.545 0.000 2.633 78 Q HA 0.649 4.993 4.340 0.006 0.000 0.289 78 Q C -0.183 175.526 176.000 -0.486 0.000 0.940 78 Q CA -0.289 55.310 55.803 -0.341 0.000 0.785 78 Q CB 0.993 29.644 28.738 -0.145 0.000 1.467 78 Q HN 1.835 nan 8.270 nan 0.000 0.401 79 S N -0.073 115.478 115.700 -0.247 0.000 3.628 79 S HA -0.145 4.329 4.470 0.006 0.000 0.373 79 S C 0.966 175.379 174.600 -0.310 0.000 0.968 79 S CA 1.490 59.558 58.200 -0.220 0.000 1.215 79 S CB -1.913 61.152 63.200 -0.226 0.000 0.912 79 S HN 1.857 nan 8.310 nan 0.000 0.495 80 G N -0.681 107.978 108.800 -0.234 0.000 2.175 80 G HA2 -0.306 3.657 3.960 0.006 0.000 0.265 80 G HA3 -0.306 3.657 3.960 0.006 0.000 0.265 80 G C -0.080 174.633 174.900 -0.311 0.000 0.979 80 G CA 0.621 45.637 45.100 -0.140 0.000 0.663 80 G HN 0.778 nan 8.290 nan 0.000 0.533 81 L N -0.495 120.231 121.223 -0.828 0.000 2.376 81 L HA 0.810 5.153 4.340 0.006 0.000 0.275 81 L C -0.483 175.941 176.870 -0.744 0.000 0.987 81 L CA -1.001 53.542 54.840 -0.496 0.000 0.828 81 L CB 1.356 43.101 42.059 -0.522 0.000 1.249 81 L HN 0.024 nan 8.230 nan 0.000 0.409 82 F N -0.134 119.986 119.950 0.283 0.000 2.643 82 F HA 0.616 5.147 4.527 0.006 0.000 0.314 82 F C 0.032 175.953 175.800 0.200 0.000 1.096 82 F CA -0.773 57.358 58.000 0.219 0.000 0.953 82 F CB 2.386 41.464 39.000 0.130 0.000 1.345 82 F HN 0.130 nan 8.300 nan 0.000 0.468 83 T N 0.984 115.746 114.554 0.347 0.000 2.824 83 T HA 0.364 4.718 4.350 0.006 0.000 0.282 83 T C -1.224 173.551 174.700 0.125 0.000 0.993 83 T CA -0.705 61.476 62.100 0.135 0.000 0.967 83 T CB 1.695 70.630 68.868 0.112 0.000 0.960 83 T HN 0.568 nan 8.240 nan 0.000 0.441 84 Q N 2.457 122.246 119.800 -0.017 0.000 2.307 84 Q HA 0.438 4.782 4.340 0.006 0.000 0.262 84 Q C -1.635 174.296 176.000 -0.116 0.000 0.961 84 Q CA -0.703 55.116 55.803 0.025 0.000 0.882 84 Q CB 0.810 29.568 28.738 0.034 0.000 1.264 84 Q HN 0.638 nan 8.270 nan 0.000 0.446 85 Y N 2.580 122.920 120.300 0.066 0.000 2.331 85 Y HA 0.338 4.892 4.550 0.006 0.000 0.338 85 Y C -0.218 175.718 175.900 0.059 0.000 0.976 85 Y CA -0.967 57.170 58.100 0.061 0.000 1.137 85 Y CB 1.279 39.773 38.460 0.055 0.000 1.172 85 Y HN 0.535 nan 8.280 nan 0.000 0.478 86 N N 4.850 123.644 118.700 0.156 0.000 2.439 86 N HA 0.348 5.092 4.740 0.006 0.000 0.249 86 N C -0.749 174.832 175.510 0.117 0.000 1.003 86 N CA -0.188 52.938 53.050 0.126 0.000 0.942 86 N CB 1.228 39.772 38.487 0.095 0.000 1.115 86 N HN 0.593 nan 8.380 nan 0.000 0.505 87 I N 1.347 121.983 120.570 0.110 0.000 2.331 87 I HA 0.138 4.312 4.170 0.006 0.000 0.292 87 I C 0.874 177.031 176.117 0.067 0.000 0.998 87 I CA -0.596 60.755 61.300 0.086 0.000 1.267 87 I CB 1.244 39.292 38.000 0.079 0.000 1.386 87 I HN 0.221 nan 8.210 nan 0.000 0.476 88 Q N 6.224 126.055 119.800 0.051 0.000 2.304 88 Q HA 0.183 4.527 4.340 0.006 0.000 0.260 88 Q C -0.783 175.238 176.000 0.035 0.000 0.965 88 Q CA -0.270 55.555 55.803 0.036 0.000 0.898 88 Q CB 0.843 29.595 28.738 0.023 0.000 1.196 88 Q HN 0.404 nan 8.270 nan 0.000 0.402 89 K N 2.701 123.122 120.400 0.035 0.000 2.245 89 K HA 0.419 4.743 4.320 0.006 0.000 0.234 89 K C -0.563 176.051 176.600 0.023 0.000 1.021 89 K CA -0.749 55.558 56.287 0.034 0.000 0.898 89 K CB 0.858 33.385 32.500 0.045 0.000 1.163 89 K HN 0.506 nan 8.250 nan 0.000 0.459 90 K N 0.745 121.157 120.400 0.021 0.000 2.258 90 K HA 0.256 4.579 4.320 0.006 0.000 0.264 90 K C 0.164 176.771 176.600 0.011 0.000 1.007 90 K CA -0.267 56.028 56.287 0.013 0.000 0.941 90 K CB 0.665 33.173 32.500 0.013 0.000 0.966 90 K HN 0.690 nan 8.250 nan 0.000 0.480 91 A N 3.022 125.842 122.820 0.001 0.000 2.547 91 A HA 0.188 4.512 4.320 0.006 0.000 0.233 91 A C 0.183 177.766 177.584 -0.001 0.000 1.067 91 A CA 0.488 52.520 52.037 -0.008 0.000 0.763 91 A CB -0.186 18.805 19.000 -0.015 0.000 1.007 91 A HN 0.836 nan 8.150 nan 0.000 0.506 92 M N 0.147 119.742 119.600 -0.009 0.000 2.732 92 M HA 0.591 5.075 4.480 0.006 0.000 0.272 92 M C -0.391 175.892 176.300 -0.028 0.000 1.203 92 M CA -0.327 54.973 55.300 0.001 0.000 0.841 92 M CB 1.578 34.202 32.600 0.040 0.000 1.685 92 M HN 0.801 nan 8.290 nan 0.000 0.492 93 T N -0.876 113.664 114.554 -0.023 0.000 2.902 93 T HA 0.484 4.838 4.350 0.006 0.000 0.280 93 T C 0.981 175.645 174.700 -0.061 0.000 0.992 93 T CA -0.660 61.408 62.100 -0.054 0.000 1.015 93 T CB 1.408 70.258 68.868 -0.030 0.000 1.044 93 T HN 0.533 nan 8.240 nan 0.000 0.520 94 V N 1.213 121.046 119.914 -0.134 0.000 2.392 94 V HA -0.141 3.983 4.120 0.006 0.000 0.249 94 V C 2.977 179.090 176.094 0.032 0.000 1.059 94 V CA 2.180 64.401 62.300 -0.131 0.000 1.051 94 V CB -1.114 30.606 31.823 -0.172 0.000 0.658 94 V HN 0.940 nan 8.190 nan 0.000 0.455 95 R N 0.339 120.839 120.500 0.001 0.000 2.080 95 R HA -0.228 4.116 4.340 0.006 0.000 0.236 95 R C 2.345 178.637 176.300 -0.013 0.000 1.137 95 R CA 2.278 58.372 56.100 -0.011 0.000 0.943 95 R CB -0.272 30.020 30.300 -0.013 0.000 0.846 95 R HN 0.639 nan 8.270 nan 0.000 0.431 96 E N -0.517 119.688 120.200 0.008 0.000 2.085 96 E HA -0.228 4.126 4.350 0.006 0.000 0.194 96 E C 1.802 178.414 176.600 0.020 0.000 0.994 96 E CA 1.439 57.844 56.400 0.008 0.000 0.801 96 E CB -0.265 29.447 29.700 0.020 0.000 0.743 96 E HN 0.332 nan 8.360 nan 0.000 0.453 97 F N 1.853 121.763 119.950 -0.068 0.000 2.075 97 F HA -0.165 4.365 4.527 0.006 0.000 0.297 97 F C 2.559 178.321 175.800 -0.063 0.000 1.113 97 F CA 1.778 59.758 58.000 -0.032 0.000 1.218 97 F CB -0.050 38.955 39.000 0.009 0.000 0.984 97 F HN -0.222 nan 8.300 nan 0.000 0.472 98 R N 0.831 121.313 120.500 -0.030 0.000 2.105 98 R HA -0.166 4.178 4.340 0.006 0.000 0.239 98 R C 2.186 178.274 176.300 -0.353 0.000 1.135 98 R CA 1.530 57.339 56.100 -0.485 0.000 0.967 98 R CB -0.259 29.673 30.300 -0.612 0.000 0.861 98 R HN 0.084 nan 8.270 nan 0.000 0.442 99 K N 0.648 120.928 120.400 -0.200 0.000 1.991 99 K HA -0.155 4.169 4.320 0.006 0.000 0.212 99 K C 2.144 178.667 176.600 -0.128 0.000 1.049 99 K CA 2.010 58.216 56.287 -0.134 0.000 0.932 99 K CB -0.467 31.986 32.500 -0.078 0.000 0.717 99 K HN 0.331 nan 8.250 nan 0.000 0.441 100 I N 1.047 121.518 120.570 -0.165 0.000 2.179 100 I HA -0.270 3.903 4.170 0.006 0.000 0.242 100 I C 2.546 178.575 176.117 -0.148 0.000 1.088 100 I CA 1.212 62.422 61.300 -0.151 0.000 1.357 100 I CB -0.523 37.306 38.000 -0.286 0.000 1.051 100 I HN 0.083 nan 8.210 nan 0.000 0.409 101 A N 1.134 123.762 122.820 -0.320 0.000 1.917 101 A HA -0.220 4.104 4.320 0.006 0.000 0.219 101 A C 1.997 179.585 177.584 0.007 0.000 1.182 101 A CA 2.038 53.965 52.037 -0.183 0.000 0.633 101 A CB -0.646 18.236 19.000 -0.197 0.000 0.819 101 A HN 0.469 nan 8.150 nan 0.000 0.448 102 N N 0.373 119.038 118.700 -0.057 0.000 2.422 102 N HA -0.013 4.731 4.740 0.006 0.000 0.181 102 N C 0.818 176.343 175.510 0.025 0.000 1.080 102 N CA 0.767 53.816 53.050 -0.003 0.000 0.893 102 N CB -0.217 38.234 38.487 -0.060 0.000 0.973 102 N HN 0.610 nan 8.380 nan 0.000 0.456 103 S N 0.728 116.452 115.700 0.039 0.000 2.569 103 S HA 0.008 4.481 4.470 0.006 0.000 0.274 103 S C 0.553 175.190 174.600 0.062 0.000 1.353 103 S CA -0.182 58.052 58.200 0.056 0.000 1.023 103 S CB 0.716 63.976 63.200 0.101 0.000 0.876 103 S HN 0.040 nan 8.310 nan 0.000 0.540 104 D N 0.433 120.849 120.400 0.026 0.000 2.371 104 D HA 0.032 4.676 4.640 0.006 0.000 0.221 104 D C 1.578 177.864 176.300 -0.022 0.000 0.986 104 D CA 0.564 54.567 54.000 0.005 0.000 0.899 104 D CB -0.007 40.788 40.800 -0.010 0.000 0.902 104 D HN 0.581 nan 8.370 nan 0.000 0.530 105 K N -0.079 120.296 120.400 -0.042 0.000 2.076 105 K HA -0.050 4.274 4.320 0.006 0.000 0.204 105 K C 0.474 176.864 176.600 -0.351 0.000 1.051 105 K CA 1.187 57.341 56.287 -0.221 0.000 0.949 105 K CB -0.081 32.258 32.500 -0.269 0.000 0.726 105 K HN 0.228 nan 8.250 nan 0.000 0.443 106 Y N -0.603 119.735 120.300 0.063 0.000 2.612 106 Y HA 0.273 4.827 4.550 0.006 0.000 0.250 106 Y C 0.480 176.489 175.900 0.180 0.000 1.175 106 Y CA -0.877 57.295 58.100 0.120 0.000 1.205 106 Y CB 0.005 38.498 38.460 0.054 0.000 1.201 106 Y HN 0.029 nan 8.280 nan 0.000 0.532 107 C N 1.487 120.910 119.300 0.205 0.000 2.727 107 C HA 0.220 4.684 4.460 0.006 0.000 0.401 107 C C 1.090 176.114 174.990 0.056 0.000 1.294 107 C CA 0.209 59.310 59.018 0.137 0.000 2.134 107 C CB 0.091 27.864 27.740 0.056 0.000 2.724 107 C HN 0.411 nan 8.230 nan 0.000 0.677 108 T N 7.151 121.686 114.554 -0.033 0.000 2.870 108 T HA 0.294 4.648 4.350 0.006 0.000 0.300 108 T C -1.952 172.502 174.700 -0.410 0.000 0.989 108 T CA -0.081 61.787 62.100 -0.387 0.000 1.139 108 T CB 0.554 69.341 68.868 -0.134 0.000 0.920 108 T HN 0.749 nan 8.240 nan 0.000 0.537 109 P HA 0.194 nan 4.420 nan 0.000 0.274 109 P C -0.260 176.948 177.300 -0.152 0.000 1.246 109 P CA -0.764 62.135 63.100 -0.335 0.000 0.795 109 P CB 0.643 32.131 31.700 -0.353 0.000 1.006 110 R N 1.638 122.101 120.500 -0.063 0.000 2.531 110 R HA 0.371 4.715 4.340 0.006 0.000 0.273 110 R C -0.551 175.797 176.300 0.080 0.000 1.070 110 R CA -0.385 55.700 56.100 -0.025 0.000 1.112 110 R CB -0.641 29.626 30.300 -0.055 0.000 1.049 110 R HN 0.741 nan 8.270 nan 0.000 0.508 111 Y N -3.390 116.863 120.300 -0.078 0.000 2.702 111 Y HA 0.386 4.940 4.550 0.006 0.000 0.336 111 Y C -0.081 175.812 175.900 -0.011 0.000 1.203 111 Y CA -0.545 57.524 58.100 -0.053 0.000 1.072 111 Y CB 0.534 38.946 38.460 -0.081 0.000 1.327 111 Y HN 0.558 nan 8.280 nan 0.000 0.456 112 S N 0.091 115.828 115.700 0.060 0.000 2.431 112 S HA 0.167 4.641 4.470 0.006 0.000 0.210 112 S C -0.038 174.654 174.600 0.152 0.000 1.013 112 S CA 0.681 58.884 58.200 0.005 0.000 0.920 112 S CB -0.404 62.828 63.200 0.053 0.000 0.882 112 S HN 0.768 nan 8.310 nan 0.000 0.567 113 E N -0.055 120.327 120.200 0.303 0.000 2.221 113 E HA 0.300 4.653 4.350 0.006 0.000 0.268 113 E C 0.418 177.273 176.600 0.425 0.000 0.933 113 E CA -0.737 55.875 56.400 0.353 0.000 0.809 113 E CB 0.694 30.537 29.700 0.237 0.000 1.190 113 E HN 0.337 nan 8.360 nan 0.000 0.406 114 F N 1.751 121.866 119.950 0.275 0.000 2.147 114 F HA -0.260 4.271 4.527 0.006 0.000 0.301 114 F C 1.995 177.861 175.800 0.110 0.000 1.084 114 F CA 2.284 60.359 58.000 0.125 0.000 1.268 114 F CB 0.052 39.158 39.000 0.176 0.000 1.009 114 F HN 0.748 nan 8.300 nan 0.000 0.486 115 E N 0.129 120.365 120.200 0.061 0.000 2.097 115 E HA -0.347 4.007 4.350 0.006 0.000 0.196 115 E C 2.234 178.778 176.600 -0.093 0.000 1.000 115 E CA 1.732 58.122 56.400 -0.015 0.000 0.804 115 E CB -0.326 29.469 29.700 0.158 0.000 0.740 115 E HN 0.755 nan 8.360 nan 0.000 0.454 116 E N 0.068 120.255 120.200 -0.022 0.000 2.072 116 E HA -0.170 4.184 4.350 0.006 0.000 0.190 116 E C 2.248 178.777 176.600 -0.117 0.000 0.982 116 E CA 0.525 56.924 56.400 -0.002 0.000 0.803 116 E CB -0.100 29.662 29.700 0.103 0.000 0.755 116 E HN 0.262 nan 8.360 nan 0.000 0.453 117 L N 1.468 122.492 121.223 -0.332 0.000 2.083 117 L HA -0.188 4.156 4.340 0.006 0.000 0.209 117 L C 2.328 179.021 176.870 -0.295 0.000 1.083 117 L CA 2.122 56.647 54.840 -0.525 0.000 0.752 117 L CB -0.718 40.680 42.059 -1.100 0.000 0.899 117 L HN 0.354 nan 8.230 nan 0.000 0.433 118 E N -0.147 119.798 120.200 -0.424 0.000 2.051 118 E HA -0.255 4.099 4.350 0.006 0.000 0.192 118 E C 2.237 178.888 176.600 0.085 0.000 0.991 118 E CA 1.144 57.434 56.400 -0.183 0.000 0.799 118 E CB -0.023 29.480 29.700 -0.329 0.000 0.748 118 E HN 0.417 nan 8.360 nan 0.000 0.449 119 R N 0.289 120.827 120.500 0.062 0.000 2.096 119 R HA -0.097 4.247 4.340 0.006 0.000 0.235 119 R C 2.486 178.840 176.300 0.090 0.000 1.127 119 R CA 1.431 57.612 56.100 0.134 0.000 0.968 119 R CB -0.118 30.236 30.300 0.090 0.000 0.861 119 R HN 0.115 nan 8.270 nan 0.000 0.440 120 K N -0.351 120.077 120.400 0.046 0.000 2.097 120 K HA -0.191 4.133 4.320 0.006 0.000 0.205 120 K C 1.961 178.585 176.600 0.040 0.000 1.050 120 K CA 1.317 57.651 56.287 0.078 0.000 0.938 120 K CB -0.219 32.336 32.500 0.092 0.000 0.718 120 K HN 0.162 nan 8.250 nan 0.000 0.442 121 Y N 0.066 120.246 120.300 -0.200 0.000 2.089 121 Y HA -0.258 4.296 4.550 0.006 0.000 0.282 121 Y C 1.584 177.050 175.900 -0.724 0.000 1.139 121 Y CA 1.600 59.265 58.100 -0.724 0.000 1.123 121 Y CB -0.577 36.965 38.460 -1.529 0.000 0.980 121 Y HN 0.076 nan 8.280 nan 0.000 0.493 122 W N 1.051 122.071 121.300 -0.466 0.000 2.525 122 W HA -0.051 4.612 4.660 0.006 0.000 0.259 122 W C 2.505 178.800 176.519 -0.374 0.000 1.253 122 W CA 1.209 58.272 57.345 -0.471 0.000 1.262 122 W CB -0.045 29.344 29.460 -0.119 0.000 1.122 122 W HN 0.046 nan 8.180 nan 0.000 0.607 123 K N 0.121 120.460 120.400 -0.102 0.000 2.211 123 K HA -0.022 4.302 4.320 0.006 0.000 0.201 123 K C 0.908 177.416 176.600 -0.153 0.000 1.052 123 K CA 1.007 57.269 56.287 -0.041 0.000 0.973 123 K CB -0.008 32.524 32.500 0.054 0.000 0.766 123 K HN 0.022 nan 8.250 nan 0.000 0.466 124 N N 1.435 119.976 118.700 -0.265 0.000 2.238 124 N HA 0.036 4.780 4.740 0.006 0.000 0.235 124 N C 1.317 176.488 175.510 -0.565 0.000 1.209 124 N CA 0.053 52.950 53.050 -0.255 0.000 0.879 124 N CB 0.740 39.296 38.487 0.115 0.000 1.136 124 N HN 0.254 nan 8.380 nan 0.000 0.517 125 L N -0.608 120.101 121.223 -0.856 0.000 2.353 125 L HA 0.036 4.380 4.340 0.006 0.000 0.220 125 L C 1.832 178.294 176.870 -0.679 0.000 1.133 125 L CA 1.449 55.721 54.840 -0.947 0.000 0.798 125 L CB -0.923 40.294 42.059 -1.403 0.000 0.922 125 L HN -0.038 nan 8.230 nan 0.000 0.445 126 T N -3.409 110.696 114.554 -0.748 0.000 3.107 126 T HA 0.269 4.622 4.350 0.006 0.000 0.249 126 T C 0.337 174.819 174.700 -0.363 0.000 1.096 126 T CA -0.406 61.383 62.100 -0.517 0.000 1.012 126 T CB -0.541 68.051 68.868 -0.460 0.000 0.977 126 T HN 0.295 nan 8.240 nan 0.000 0.527 127 F N 1.401 121.281 119.950 -0.116 0.000 2.483 127 F HA 0.433 4.963 4.527 0.006 0.000 0.329 127 F C 1.004 176.766 175.800 -0.063 0.000 1.064 127 F CA -1.520 56.438 58.000 -0.069 0.000 0.986 127 F CB 0.838 39.801 39.000 -0.061 0.000 1.218 127 F HN 0.039 nan 8.300 nan 0.000 0.484 128 N N 1.782 120.590 118.700 0.179 0.000 2.650 128 N HA -0.147 4.597 4.740 0.006 0.000 0.272 128 N C -2.651 172.944 175.510 0.141 0.000 1.058 128 N CA -0.669 52.434 53.050 0.088 0.000 0.765 128 N CB -0.361 38.127 38.487 0.002 0.000 0.902 128 N HN 0.140 nan 8.380 nan 0.000 0.551 129 P HA 0.037 nan 4.420 nan 0.000 0.255 129 P C -2.108 175.314 177.300 0.204 0.000 1.173 129 P CA -0.308 62.866 63.100 0.124 0.000 0.780 129 P CB 0.520 32.284 31.700 0.107 0.000 0.758 130 P HA 0.226 nan 4.420 nan 0.000 0.275 130 P C -0.516 176.786 177.300 0.004 0.000 1.266 130 P CA -0.108 63.030 63.100 0.064 0.000 0.793 130 P CB 0.810 32.527 31.700 0.029 0.000 1.074 131 I N -0.062 120.481 120.570 -0.044 0.000 2.474 131 I HA 0.320 4.494 4.170 0.006 0.000 0.294 131 I C -0.366 176.002 176.117 0.419 0.000 1.005 131 I CA -0.704 60.673 61.300 0.129 0.000 1.113 131 I CB 1.035 39.073 38.000 0.064 0.000 1.289 131 I HN 0.237 nan 8.210 nan 0.000 0.436 132 Y N 3.765 124.223 120.300 0.263 0.000 2.350 132 Y HA 0.678 5.232 4.550 0.006 0.000 0.338 132 Y C 0.349 176.324 175.900 0.125 0.000 0.961 132 Y CA -2.091 56.167 58.100 0.263 0.000 1.100 132 Y CB 2.184 40.740 38.460 0.161 0.000 1.179 132 Y HN 0.598 nan 8.280 nan 0.000 0.454 133 G N 4.567 113.390 108.800 0.039 0.000 3.515 133 G HA2 0.547 4.510 3.960 0.006 0.000 0.288 133 G HA3 0.547 4.510 3.960 0.006 0.000 0.288 133 G C -0.451 174.214 174.900 -0.392 0.000 1.012 133 G CA 0.023 44.975 45.100 -0.246 0.000 1.689 133 G HN 0.775 nan 8.290 nan 0.000 0.572 134 A N 1.632 124.097 122.820 -0.592 0.000 2.281 134 A HA 0.664 4.988 4.320 0.006 0.000 0.329 134 A C 0.521 177.592 177.584 -0.856 0.000 1.122 134 A CA -0.489 51.024 52.037 -0.873 0.000 0.850 134 A CB 0.567 19.034 19.000 -0.889 0.000 1.207 134 A HN 0.599 nan 8.150 nan 0.000 0.495 135 D N -0.525 119.026 120.400 -1.415 0.000 2.697 135 D HA -0.124 4.520 4.640 0.006 0.000 0.238 135 D C -0.631 174.857 176.300 -1.354 0.000 1.152 135 D CA 0.879 53.941 54.000 -1.564 0.000 0.666 135 D CB -1.426 38.835 40.800 -0.899 0.000 1.037 135 D HN 0.253 nan 8.370 nan 0.000 0.423 136 V N 1.582 120.899 119.914 -0.995 0.000 2.383 136 V HA 0.119 4.243 4.120 0.006 0.000 0.275 136 V C 0.886 176.794 176.094 -0.310 0.000 1.036 136 V CA -0.870 61.128 62.300 -0.503 0.000 0.889 136 V CB 1.602 33.288 31.823 -0.227 0.000 0.985 136 V HN 0.165 nan 8.190 nan 0.000 0.459 137 N N 3.860 122.473 118.700 -0.146 0.000 2.454 137 N HA 0.426 5.170 4.740 0.006 0.000 0.260 137 N C 0.408 175.953 175.510 0.059 0.000 1.218 137 N CA 1.118 54.215 53.050 0.078 0.000 0.904 137 N CB 1.349 39.886 38.487 0.082 0.000 1.065 137 N HN 1.076 nan 8.380 nan 0.000 0.462 138 G N 0.564 109.421 108.800 0.097 0.000 2.347 138 G HA2 0.108 4.071 3.960 0.006 0.000 0.321 138 G HA3 0.108 4.071 3.960 0.006 0.000 0.321 138 G C -1.351 173.614 174.900 0.108 0.000 1.412 138 G CA -0.832 44.318 45.100 0.085 0.000 0.990 138 G HN 0.469 nan 8.290 nan 0.000 0.637 139 T N -0.177 114.448 114.554 0.118 0.000 2.883 139 T HA 0.666 5.020 4.350 0.006 0.000 0.296 139 T C 0.752 175.553 174.700 0.168 0.000 1.117 139 T CA -0.619 61.588 62.100 0.179 0.000 1.006 139 T CB 1.852 70.819 68.868 0.164 0.000 1.191 139 T HN 0.558 nan 8.240 nan 0.000 0.508 140 L N 0.063 121.415 121.223 0.214 0.000 2.966 140 L HA 0.356 4.700 4.340 0.006 0.000 0.262 140 L C -0.495 176.426 176.870 0.085 0.000 1.165 140 L CA -0.196 54.672 54.840 0.047 0.000 0.978 140 L CB 0.264 42.145 42.059 -0.297 0.000 1.337 140 L HN 0.576 nan 8.230 nan 0.000 0.563 141 Y N 1.577 121.924 120.300 0.079 0.000 2.326 141 Y HA 0.092 4.646 4.550 0.006 0.000 0.333 141 Y C 0.899 176.779 175.900 -0.032 0.000 1.240 141 Y CA -0.056 58.068 58.100 0.039 0.000 1.365 141 Y CB 0.529 39.026 38.460 0.060 0.000 1.289 141 Y HN 0.020 nan 8.280 nan 0.000 0.548 142 E N 2.054 122.264 120.200 0.016 0.000 2.266 142 E HA 0.109 4.463 4.350 0.006 0.000 0.277 142 E C 0.637 177.226 176.600 -0.019 0.000 1.018 142 E CA -0.545 55.847 56.400 -0.015 0.000 0.840 142 E CB 1.197 30.872 29.700 -0.041 0.000 1.082 142 E HN 0.617 nan 8.360 nan 0.000 0.395 143 K N 1.409 121.859 120.400 0.083 0.000 2.163 143 K HA -0.254 4.070 4.320 0.006 0.000 0.210 143 K C 1.905 178.556 176.600 0.085 0.000 1.048 143 K CA 1.812 58.150 56.287 0.085 0.000 0.928 143 K CB -0.214 32.348 32.500 0.102 0.000 0.716 143 K HN 0.601 nan 8.250 nan 0.000 0.459 144 H N -0.709 118.386 119.070 0.041 0.000 2.502 144 H HA 0.043 4.603 4.556 0.006 0.000 0.283 144 H C 0.368 175.741 175.328 0.076 0.000 1.015 144 H CA 0.192 56.265 56.048 0.042 0.000 1.298 144 H CB -0.756 29.019 29.762 0.021 0.000 1.411 144 H HN -0.152 nan 8.280 nan 0.000 0.556 145 V N 3.849 123.554 119.914 -0.348 0.000 2.458 145 V HA -0.072 4.052 4.120 0.006 0.000 0.287 145 V C 0.567 176.720 176.094 0.099 0.000 1.009 145 V CA 0.576 62.828 62.300 -0.080 0.000 1.091 145 V CB 0.729 32.570 31.823 0.031 0.000 0.960 145 V HN 0.394 nan 8.190 nan 0.000 0.476 146 D N 2.522 123.008 120.400 0.145 0.000 2.407 146 D HA 0.102 4.746 4.640 0.006 0.000 0.208 146 D C 0.358 176.718 176.300 0.100 0.000 1.083 146 D CA 0.107 54.161 54.000 0.090 0.000 0.844 146 D CB 0.801 41.643 40.800 0.069 0.000 0.967 146 D HN 0.640 nan 8.370 nan 0.000 0.506 147 E N 0.053 120.402 120.200 0.249 0.000 2.174 147 E HA 0.183 4.537 4.350 0.006 0.000 0.282 147 E C -0.482 176.229 176.600 0.186 0.000 0.992 147 E CA -0.637 55.856 56.400 0.156 0.000 0.803 147 E CB 0.311 30.140 29.700 0.214 0.000 1.090 147 E HN -0.050 nan 8.360 nan 0.000 0.396 148 W N 1.605 122.600 121.300 -0.508 0.000 6.351 148 W HA -0.257 4.406 4.660 0.006 0.000 0.403 148 W C -0.026 176.321 176.519 -0.285 0.000 1.540 148 W CA 0.322 57.307 57.345 -0.601 0.000 1.055 148 W CB -1.539 27.361 29.460 -0.933 0.000 2.721 148 W HN 0.461 nan 8.180 nan 0.000 1.542 149 N N 1.604 120.160 118.700 -0.240 0.000 2.415 149 N HA 0.154 4.898 4.740 0.006 0.000 0.246 149 N C 1.209 176.293 175.510 -0.710 0.000 1.078 149 N CA -0.013 52.706 53.050 -0.550 0.000 0.942 149 N CB 0.237 38.548 38.487 -0.294 0.000 1.140 149 N HN 0.268 nan 8.380 nan 0.000 0.501 150 I N 1.937 121.981 120.570 -0.876 0.000 2.623 150 I HA -0.216 3.958 4.170 0.006 0.000 0.261 150 I C 1.984 177.869 176.117 -0.386 0.000 1.204 150 I CA 1.054 62.061 61.300 -0.488 0.000 1.444 150 I CB -0.095 37.789 38.000 -0.193 0.000 1.094 150 I HN 0.555 nan 8.210 nan 0.000 0.451 151 G N 1.342 109.889 108.800 -0.423 0.000 2.511 151 G HA2 -0.099 3.864 3.960 0.006 0.000 0.217 151 G HA3 -0.099 3.864 3.960 0.006 0.000 0.217 151 G C 0.847 175.614 174.900 -0.222 0.000 1.133 151 G CA -0.068 44.888 45.100 -0.241 0.000 0.792 151 G HN 0.534 nan 8.290 nan 0.000 0.539 152 R N -0.451 119.876 120.500 -0.288 0.000 3.101 152 R HA 0.351 4.695 4.340 0.006 0.000 0.242 152 R C -0.023 176.073 176.300 -0.339 0.000 1.831 152 R CA -0.472 55.480 56.100 -0.248 0.000 1.321 152 R CB -0.479 29.719 30.300 -0.169 0.000 1.512 152 R HN 0.061 nan 8.270 nan 0.000 0.568 153 L N 1.045 122.001 121.223 -0.445 0.000 2.313 153 L HA 0.126 4.470 4.340 0.006 0.000 0.214 153 L C 0.218 176.841 176.870 -0.412 0.000 1.119 153 L CA 0.172 54.613 54.840 -0.664 0.000 0.809 153 L CB -0.256 41.196 42.059 -1.012 0.000 0.933 153 L HN 0.605 nan 8.230 nan 0.000 0.449 154 R N -0.021 120.324 120.500 -0.260 0.000 3.322 154 R HA -0.130 4.213 4.340 0.006 0.000 0.266 154 R C 0.231 176.464 176.300 -0.112 0.000 1.072 154 R CA 0.810 56.819 56.100 -0.152 0.000 0.715 154 R CB -2.675 27.546 30.300 -0.131 0.000 1.199 154 R HN 0.506 nan 8.270 nan 0.000 0.421 155 T N -2.748 111.741 114.554 -0.108 0.000 2.884 155 T HA 0.584 4.937 4.350 0.006 0.000 0.277 155 T C 1.654 176.361 174.700 0.012 0.000 0.976 155 T CA -0.546 61.523 62.100 -0.050 0.000 0.956 155 T CB 1.050 69.897 68.868 -0.034 0.000 1.113 155 T HN 0.365 nan 8.240 nan 0.000 0.554 156 I N -0.463 120.139 120.570 0.054 0.000 3.241 156 I HA 0.057 4.231 4.170 0.006 0.000 0.280 156 I C 1.830 178.111 176.117 0.274 0.000 1.320 156 I CA 0.575 61.979 61.300 0.174 0.000 1.413 156 I CB -0.470 37.622 38.000 0.153 0.000 1.060 156 I HN 0.403 nan 8.210 nan 0.000 0.500 157 L N 1.764 123.054 121.223 0.112 0.000 2.275 157 L HA -0.121 4.223 4.340 0.006 0.000 0.215 157 L C 1.504 178.447 176.870 0.123 0.000 1.119 157 L CA 1.780 56.673 54.840 0.089 0.000 0.790 157 L CB -0.856 41.132 42.059 -0.118 0.000 0.919 157 L HN 0.310 nan 8.230 nan 0.000 0.443 158 D N 0.227 120.668 120.400 0.068 0.000 2.309 158 D HA -0.171 4.472 4.640 0.006 0.000 0.212 158 D C 2.292 178.617 176.300 0.042 0.000 0.968 158 D CA 0.663 54.680 54.000 0.029 0.000 0.882 158 D CB -0.016 40.783 40.800 -0.002 0.000 0.918 158 D HN 0.390 nan 8.370 nan 0.000 0.503 159 L N 0.212 121.482 121.223 0.079 0.000 2.265 159 L HA -0.139 4.205 4.340 0.006 0.000 0.215 159 L C 2.303 179.134 176.870 -0.066 0.000 1.117 159 L CA 0.377 55.201 54.840 -0.026 0.000 0.782 159 L CB -0.193 41.779 42.059 -0.144 0.000 0.914 159 L HN -0.023 nan 8.230 nan 0.000 0.441 160 V N 0.080 120.017 119.914 0.038 0.000 2.244 160 V HA -0.272 3.852 4.120 0.006 0.000 0.244 160 V C 2.518 178.624 176.094 0.019 0.000 1.042 160 V CA 2.087 64.419 62.300 0.053 0.000 1.006 160 V CB -0.444 31.462 31.823 0.138 0.000 0.641 160 V HN 0.475 nan 8.190 nan 0.000 0.446 161 E N 0.956 121.166 120.200 0.017 0.000 2.077 161 E HA -0.255 4.099 4.350 0.006 0.000 0.193 161 E C 2.024 178.619 176.600 -0.008 0.000 0.989 161 E CA 1.820 58.222 56.400 0.002 0.000 0.800 161 E CB -0.363 29.334 29.700 -0.006 0.000 0.746 161 E HN 0.433 nan 8.360 nan 0.000 0.452 162 K N 0.500 120.891 120.400 -0.014 0.000 2.009 162 K HA -0.204 4.120 4.320 0.006 0.000 0.210 162 K C 2.174 178.756 176.600 -0.030 0.000 1.049 162 K CA 1.956 58.229 56.287 -0.023 0.000 0.929 162 K CB -0.379 32.106 32.500 -0.026 0.000 0.714 162 K HN 0.185 nan 8.250 nan 0.000 0.440 163 E N -0.802 119.372 120.200 -0.043 0.000 2.158 163 E HA -0.058 4.296 4.350 0.006 0.000 0.191 163 E C 1.198 177.784 176.600 -0.024 0.000 0.982 163 E CA 1.385 57.757 56.400 -0.047 0.000 0.823 163 E CB 0.134 29.785 29.700 -0.082 0.000 0.766 163 E HN 0.371 nan 8.360 nan 0.000 0.468 164 S N -2.711 112.983 115.700 -0.011 0.000 2.649 164 S HA 0.328 4.802 4.470 0.006 0.000 0.246 164 S C 1.586 176.190 174.600 0.006 0.000 1.057 164 S CA 0.235 58.438 58.200 0.004 0.000 1.051 164 S CB 0.681 63.892 63.200 0.019 0.000 1.018 164 S HN 0.441 nan 8.310 nan 0.000 0.569 165 G N 1.718 110.519 108.800 0.002 0.000 2.184 165 G HA2 -0.249 3.715 3.960 0.006 0.000 0.264 165 G HA3 -0.249 3.715 3.960 0.006 0.000 0.264 165 G C 0.033 174.938 174.900 0.008 0.000 0.975 165 G CA 0.380 45.481 45.100 0.002 0.000 0.642 165 G HN 0.618 nan 8.290 nan 0.000 0.536 166 I N 1.504 122.083 120.570 0.014 0.000 2.496 166 I HA 0.324 4.498 4.170 0.006 0.000 0.285 166 I C 0.579 176.704 176.117 0.014 0.000 1.080 166 I CA 0.297 61.609 61.300 0.020 0.000 1.404 166 I CB 1.212 39.232 38.000 0.033 0.000 1.403 166 I HN 0.013 nan 8.210 nan 0.000 0.539 167 T N 7.465 122.024 114.554 0.009 0.000 2.797 167 T HA 0.586 4.940 4.350 0.006 0.000 0.279 167 T C -0.163 174.534 174.700 -0.004 0.000 0.991 167 T CA -0.355 61.743 62.100 -0.003 0.000 0.979 167 T CB 0.816 69.681 68.868 -0.004 0.000 0.943 167 T HN 0.278 nan 8.240 nan 0.000 0.444 168 I N 3.473 124.029 120.570 -0.022 0.000 2.464 168 I HA 0.249 4.423 4.170 0.006 0.000 0.277 168 I C 0.421 176.485 176.117 -0.088 0.000 1.040 168 I CA -0.704 60.577 61.300 -0.032 0.000 1.153 168 I CB 1.168 39.154 38.000 -0.025 0.000 1.274 168 I HN 0.539 nan 8.210 nan 0.000 0.469 169 E N 4.561 124.719 120.200 -0.070 0.000 2.652 169 E HA 0.067 4.421 4.350 0.006 0.000 0.255 169 E C 1.228 177.541 176.600 -0.477 0.000 0.952 169 E CA 1.057 57.379 56.400 -0.129 0.000 0.947 169 E CB 0.428 30.171 29.700 0.072 0.000 0.912 169 E HN 0.952 nan 8.360 nan 0.000 0.489 170 G N 1.785 110.068 108.800 -0.862 0.000 2.284 170 G HA2 -0.332 3.632 3.960 0.006 0.000 0.247 170 G HA3 -0.332 3.632 3.960 0.006 0.000 0.247 170 G C 0.869 175.454 174.900 -0.525 0.000 1.012 170 G CA 0.336 44.622 45.100 -1.356 0.000 0.618 170 G HN 0.427 nan 8.290 nan 0.000 0.521 171 V N 1.541 121.261 119.914 -0.323 0.000 2.484 171 V HA 0.118 4.242 4.120 0.006 0.000 0.236 171 V C 1.856 177.852 176.094 -0.163 0.000 1.062 171 V CA 2.046 64.231 62.300 -0.192 0.000 1.081 171 V CB -0.147 31.596 31.823 -0.132 0.000 0.751 171 V HN 0.666 nan 8.190 nan 0.000 0.484 172 N N 0.928 119.546 118.700 -0.138 0.000 2.273 172 N HA 0.070 4.814 4.740 0.006 0.000 0.231 172 N C 0.037 175.481 175.510 -0.111 0.000 1.134 172 N CA 0.425 53.409 53.050 -0.110 0.000 0.856 172 N CB 0.174 38.618 38.487 -0.071 0.000 1.068 172 N HN 0.598 nan 8.380 nan 0.000 0.510 173 T N -3.067 111.402 114.554 -0.142 0.000 2.900 173 T HA 0.549 4.902 4.350 0.006 0.000 0.303 173 T C -3.435 171.181 174.700 -0.139 0.000 1.142 173 T CA -1.744 60.286 62.100 -0.116 0.000 1.007 173 T CB 3.048 71.865 68.868 -0.085 0.000 1.156 173 T HN -0.120 nan 8.240 nan 0.000 0.490 174 P HA 0.323 nan 4.420 nan 0.000 0.278 174 P C -1.296 176.098 177.300 0.158 0.000 1.238 174 P CA -0.493 62.618 63.100 0.019 0.000 0.794 174 P CB 0.797 32.522 31.700 0.041 0.000 0.955 175 Y N 0.944 121.250 120.300 0.011 0.000 2.499 175 Y HA 0.479 5.033 4.550 0.006 0.000 0.347 175 Y C 0.212 176.055 175.900 -0.095 0.000 0.987 175 Y CA -1.360 56.684 58.100 -0.093 0.000 1.044 175 Y CB 2.458 40.847 38.460 -0.119 0.000 1.245 175 Y HN 0.087 nan 8.280 nan 0.000 0.461 176 L N 3.106 124.218 121.223 -0.185 0.000 2.346 176 L HA 0.470 4.814 4.340 0.006 0.000 0.274 176 L C -1.655 174.835 176.870 -0.633 0.000 1.007 176 L CA -0.965 53.712 54.840 -0.272 0.000 0.818 176 L CB 1.837 43.735 42.059 -0.269 0.000 1.284 176 L HN 0.527 nan 8.230 nan 0.000 0.424 177 Y N 1.741 121.727 120.300 -0.525 0.000 2.326 177 Y HA 0.450 5.004 4.550 0.006 0.000 0.329 177 Y C -0.724 174.812 175.900 -0.606 0.000 0.973 177 Y CA -0.562 57.227 58.100 -0.519 0.000 1.162 177 Y CB 1.442 39.691 38.460 -0.352 0.000 1.147 177 Y HN 0.256 nan 8.280 nan 0.000 0.456 178 F N 2.267 122.109 119.950 -0.180 0.000 2.361 178 F HA 0.667 5.198 4.527 0.006 0.000 0.364 178 F C 0.820 176.696 175.800 0.126 0.000 1.120 178 F CA -0.680 57.193 58.000 -0.212 0.000 1.102 178 F CB 1.257 39.914 39.000 -0.571 0.000 1.183 178 F HN 0.575 nan 8.300 nan 0.000 0.476 179 G N 3.547 112.619 108.800 0.454 0.000 2.537 179 G HA2 0.791 4.755 3.960 0.006 0.000 0.323 179 G HA3 0.791 4.755 3.960 0.006 0.000 0.323 179 G C -0.981 174.268 174.900 0.581 0.000 1.207 179 G CA -0.981 44.443 45.100 0.540 0.000 0.976 179 G HN 0.612 nan 8.290 nan 0.000 0.487 180 M N -0.651 119.188 119.600 0.398 0.000 2.744 180 M HA 0.549 5.033 4.480 0.006 0.000 0.283 180 M C -0.535 175.937 176.300 0.286 0.000 1.275 180 M CA -1.181 54.327 55.300 0.347 0.000 0.796 180 M CB 2.346 35.056 32.600 0.184 0.000 1.739 180 M HN 0.653 nan 8.290 nan 0.000 0.454 181 W N 2.646 124.040 121.300 0.157 0.000 2.314 181 W HA 0.066 4.730 4.660 0.007 0.000 0.339 181 W C -0.104 176.468 176.519 0.088 0.000 1.293 181 W CA 0.774 58.197 57.345 0.130 0.000 1.288 181 W CB 0.480 30.012 29.460 0.121 0.000 1.186 181 W HN 0.985 nan 8.180 nan 0.000 0.566 182 K N 1.553 121.463 120.400 -0.817 0.000 3.547 182 K HA -0.215 4.109 4.320 0.006 0.000 0.309 182 K C 0.443 176.804 176.600 -0.399 0.000 1.324 182 K CA 1.394 57.109 56.287 -0.952 0.000 0.988 182 K CB -1.681 30.074 32.500 -1.241 0.000 1.261 182 K HN 0.726 nan 8.250 nan 0.000 0.444 183 T N -0.226 114.156 114.554 -0.287 0.000 2.913 183 T HA 0.475 4.829 4.350 0.006 0.000 0.297 183 T C 0.261 174.754 174.700 -0.346 0.000 1.029 183 T CA 0.016 61.897 62.100 -0.365 0.000 1.104 183 T CB 1.727 70.197 68.868 -0.664 0.000 0.964 183 T HN 0.275 nan 8.240 nan 0.000 0.532 184 S N 0.935 116.482 115.700 -0.255 0.000 2.607 184 S HA 0.755 5.228 4.470 0.006 0.000 0.273 184 S C -1.010 173.621 174.600 0.051 0.000 1.148 184 S CA -1.359 56.753 58.200 -0.145 0.000 0.833 184 S CB 1.130 64.241 63.200 -0.149 0.000 1.130 184 S HN 0.937 nan 8.310 nan 0.000 0.470 185 F N -0.030 119.838 119.950 -0.136 0.000 2.467 185 F HA 0.938 5.468 4.527 0.006 0.000 0.336 185 F C 0.221 175.968 175.800 -0.088 0.000 1.123 185 F CA -1.214 56.735 58.000 -0.084 0.000 0.964 185 F CB 0.724 39.647 39.000 -0.129 0.000 1.136 185 F HN 0.875 nan 8.300 nan 0.000 0.447 186 A N 3.034 125.888 122.820 0.057 0.000 2.310 186 A HA 0.284 4.607 4.320 0.006 0.000 0.260 186 A C -0.853 176.797 177.584 0.111 0.000 1.112 186 A CA -0.600 51.458 52.037 0.035 0.000 0.804 186 A CB 0.224 19.285 19.000 0.102 0.000 1.081 186 A HN 0.890 nan 8.150 nan 0.000 0.499 187 W N 1.579 122.965 121.300 0.143 0.000 2.322 187 W HA 0.424 5.087 4.660 0.006 0.000 0.328 187 W C 0.837 177.497 176.519 0.234 0.000 1.395 187 W CA 1.615 59.045 57.345 0.143 0.000 1.267 187 W CB 0.307 29.790 29.460 0.038 0.000 1.259 187 W HN 0.819 nan 8.180 nan 0.000 0.560 188 H N 0.103 119.355 119.070 0.303 0.000 2.987 188 H HA 0.400 4.960 4.556 0.007 0.000 0.316 188 H C -0.852 174.339 175.328 -0.227 0.000 1.380 188 H CA -0.805 55.315 56.048 0.121 0.000 1.160 188 H CB 0.526 30.284 29.762 -0.006 0.000 1.865 188 H HN 0.268 nan 8.280 nan 0.000 0.521 189 T N -0.921 113.370 114.554 -0.440 0.000 2.937 189 T HA 0.409 4.763 4.350 0.006 0.000 0.283 189 T C 0.064 174.742 174.700 -0.037 0.000 1.012 189 T CA -0.974 60.852 62.100 -0.457 0.000 0.997 189 T CB 2.056 70.579 68.868 -0.575 0.000 1.136 189 T HN 0.509 nan 8.240 nan 0.000 0.551 190 E N 1.077 121.299 120.200 0.038 0.000 2.371 190 E HA 0.197 4.551 4.350 0.006 0.000 0.257 190 E C -0.222 176.429 176.600 0.085 0.000 1.134 190 E CA -0.463 56.006 56.400 0.115 0.000 0.919 190 E CB 0.348 30.062 29.700 0.023 0.000 1.025 190 E HN 0.595 nan 8.360 nan 0.000 0.438 191 D N 1.921 122.368 120.400 0.077 0.000 2.488 191 D HA -0.064 4.579 4.640 0.006 0.000 0.238 191 D C 0.958 177.314 176.300 0.094 0.000 1.138 191 D CA 0.473 54.520 54.000 0.079 0.000 0.873 191 D CB 0.436 41.269 40.800 0.054 0.000 1.183 191 D HN 0.263 nan 8.370 nan 0.000 0.458 192 M N 1.246 120.940 119.600 0.156 0.000 2.811 192 M HA -0.251 4.233 4.480 0.006 0.000 0.183 192 M C -0.260 176.273 176.300 0.388 0.000 0.618 192 M CA 0.630 56.090 55.300 0.268 0.000 0.633 192 M CB -1.852 30.944 32.600 0.326 0.000 2.305 192 M HN 0.518 nan 8.290 nan 0.000 0.472 193 D N -0.169 120.377 120.400 0.244 0.000 2.751 193 D HA -0.186 4.457 4.640 0.006 0.000 0.233 193 D C 0.304 176.734 176.300 0.216 0.000 1.149 193 D CA 0.846 54.983 54.000 0.229 0.000 0.682 193 D CB -1.198 39.797 40.800 0.325 0.000 1.068 193 D HN 0.525 nan 8.370 nan 0.000 0.429 194 L N -0.847 120.368 121.223 -0.012 0.000 2.482 194 L HA 0.228 4.572 4.340 0.006 0.000 0.242 194 L C 1.129 177.767 176.870 -0.387 0.000 1.210 194 L CA -0.415 54.157 54.840 -0.446 0.000 0.819 194 L CB 0.215 41.921 42.059 -0.588 0.000 1.203 194 L HN -0.071 nan 8.230 nan 0.000 0.495 195 Y N -0.743 119.095 120.300 -0.770 0.000 2.326 195 Y HA 0.367 4.921 4.550 0.006 0.000 0.324 195 Y C 0.493 175.903 175.900 -0.816 0.000 1.291 195 Y CA -0.442 57.084 58.100 -0.957 0.000 1.348 195 Y CB 1.487 38.795 38.460 -1.921 0.000 1.294 195 Y HN 0.495 nan 8.280 nan 0.000 0.525 196 S N 1.616 117.085 115.700 -0.385 0.000 2.569 196 S HA 0.745 5.219 4.470 0.006 0.000 0.280 196 S C -1.282 173.365 174.600 0.079 0.000 1.111 196 S CA -0.874 57.256 58.200 -0.116 0.000 0.887 196 S CB 1.930 65.121 63.200 -0.015 0.000 1.095 196 S HN 0.681 nan 8.310 nan 0.000 0.476 197 I N 1.869 122.567 120.570 0.212 0.000 2.545 197 I HA 0.553 4.727 4.170 0.006 0.000 0.292 197 I C -1.587 174.679 176.117 0.248 0.000 1.040 197 I CA -0.563 60.903 61.300 0.277 0.000 1.068 197 I CB 1.720 39.865 38.000 0.242 0.000 1.251 197 I HN 0.840 nan 8.210 nan 0.000 0.424 198 N N 6.471 125.341 118.700 0.283 0.000 2.352 198 N HA 0.262 5.005 4.740 0.006 0.000 0.291 198 N C -2.229 173.430 175.510 0.247 0.000 1.040 198 N CA -0.288 52.905 53.050 0.238 0.000 0.864 198 N CB 2.005 40.627 38.487 0.225 0.000 1.440 198 N HN 0.593 nan 8.380 nan 0.000 0.483 199 Y N 3.758 124.052 120.300 -0.010 0.000 2.341 199 Y HA 0.480 5.033 4.550 0.006 0.000 0.338 199 Y C -1.082 174.588 175.900 -0.384 0.000 0.965 199 Y CA -1.008 56.874 58.100 -0.363 0.000 1.108 199 Y CB 1.031 39.178 38.460 -0.521 0.000 1.180 199 Y HN 0.437 nan 8.280 nan 0.000 0.458 200 L N 7.431 128.046 121.223 -1.013 0.000 2.302 200 L HA 0.264 4.608 4.340 0.006 0.000 0.285 200 L C 0.946 177.181 176.870 -1.060 0.000 1.090 200 L CA 0.321 54.691 54.840 -0.784 0.000 0.866 200 L CB -0.351 41.407 42.059 -0.501 0.000 1.244 200 L HN 0.833 nan 8.230 nan 0.000 0.435 201 H N 4.940 123.585 119.070 -0.710 0.000 2.267 201 H HA -0.053 4.506 4.556 0.006 0.000 0.297 201 H C -0.004 175.037 175.328 -0.478 0.000 1.080 201 H CA 2.194 57.960 56.048 -0.470 0.000 1.278 201 H CB 0.079 29.580 29.762 -0.434 0.000 1.365 201 H HN 0.599 nan 8.280 nan 0.000 0.489 202 F N -3.254 116.468 119.950 -0.381 0.000 2.773 202 F HA 0.535 5.066 4.527 0.006 0.000 0.314 202 F C 0.304 175.955 175.800 -0.247 0.000 1.160 202 F CA -0.421 57.389 58.000 -0.316 0.000 0.920 202 F CB 0.874 39.634 39.000 -0.400 0.000 1.323 202 F HN 0.400 nan 8.300 nan 0.000 0.457 203 G N 0.675 109.586 108.800 0.184 0.000 2.526 203 G HA2 0.165 4.129 3.960 0.006 0.000 0.250 203 G HA3 0.165 4.129 3.960 0.006 0.000 0.250 203 G C -1.267 173.666 174.900 0.056 0.000 1.289 203 G CA -0.586 44.589 45.100 0.125 0.000 0.947 203 G HN 0.861 nan 8.290 nan 0.000 0.517 204 E N 1.088 121.344 120.200 0.094 0.000 2.392 204 E HA 0.432 4.786 4.350 0.006 0.000 0.256 204 E C -1.859 174.725 176.600 -0.027 0.000 1.145 204 E CA -1.258 55.205 56.400 0.106 0.000 0.929 204 E CB -0.040 29.802 29.700 0.237 0.000 0.998 204 E HN 0.295 nan 8.360 nan 0.000 0.442 205 P HA 0.060 nan 4.420 nan 0.000 0.271 205 P C -0.513 176.513 177.300 -0.456 0.000 1.244 205 P CA 0.156 63.017 63.100 -0.398 0.000 0.793 205 P CB 0.473 31.778 31.700 -0.659 0.000 0.984 206 K N 0.849 121.036 120.400 -0.354 0.000 2.545 206 K HA 0.410 4.734 4.320 0.006 0.000 0.252 206 K C -1.043 175.432 176.600 -0.209 0.000 0.948 206 K CA -0.324 55.820 56.287 -0.239 0.000 0.827 206 K CB 0.828 33.267 32.500 -0.101 0.000 1.128 206 K HN 0.304 nan 8.250 nan 0.000 0.429 207 S N 2.847 118.294 115.700 -0.421 0.000 2.585 207 S HA 0.498 4.972 4.470 0.006 0.000 0.277 207 S C -1.275 173.057 174.600 -0.447 0.000 1.241 207 S CA -0.527 57.442 58.200 -0.385 0.000 1.041 207 S CB 0.404 63.310 63.200 -0.491 0.000 0.987 207 S HN 0.437 nan 8.310 nan 0.000 0.512 208 W N 1.249 122.303 121.300 -0.410 0.000 2.864 208 W HA 0.602 5.266 4.660 0.007 0.000 0.343 208 W C -1.177 175.135 176.519 -0.346 0.000 1.109 208 W CA -0.688 56.504 57.345 -0.254 0.000 1.192 208 W CB 0.707 30.154 29.460 -0.022 0.000 1.426 208 W HN 0.536 nan 8.180 nan 0.000 0.529 209 Y N 1.055 121.494 120.300 0.232 0.000 2.485 209 Y HA 0.630 5.184 4.550 0.006 0.000 0.345 209 Y C 0.221 176.363 175.900 0.402 0.000 0.998 209 Y CA -0.951 57.342 58.100 0.321 0.000 1.059 209 Y CB 2.598 41.187 38.460 0.215 0.000 1.234 209 Y HN 0.251 nan 8.280 nan 0.000 0.461 210 S N 1.311 117.449 115.700 0.729 0.000 2.536 210 S HA 0.756 5.230 4.470 0.006 0.000 0.271 210 S C -1.970 173.001 174.600 0.619 0.000 1.134 210 S CA -0.581 58.007 58.200 0.647 0.000 0.897 210 S CB 1.213 64.669 63.200 0.427 0.000 1.094 210 S HN 0.377 nan 8.310 nan 0.000 0.473 211 V N 5.187 125.424 119.914 0.539 0.000 2.448 211 V HA 0.493 4.617 4.120 0.006 0.000 0.295 211 V C -2.367 173.884 176.094 0.261 0.000 1.025 211 V CA -2.066 60.448 62.300 0.357 0.000 0.859 211 V CB 1.710 33.660 31.823 0.211 0.000 0.988 211 V HN 0.733 nan 8.190 nan 0.000 0.431 212 P HA 0.111 nan 4.420 nan 0.000 0.265 212 P C -2.113 175.225 177.300 0.064 0.000 1.193 212 P CA -0.824 62.359 63.100 0.139 0.000 0.765 212 P CB 0.236 32.044 31.700 0.181 0.000 0.823 213 P HA -0.213 nan 4.420 nan 0.000 0.217 213 P C 1.312 178.445 177.300 -0.279 0.000 1.148 213 P CA 1.310 64.352 63.100 -0.098 0.000 0.828 213 P CB -0.098 31.572 31.700 -0.050 0.000 0.783 214 E N -1.327 118.727 120.200 -0.243 0.000 2.333 214 E HA -0.211 4.143 4.350 0.006 0.000 0.198 214 E C 0.659 177.033 176.600 -0.377 0.000 1.007 214 E CA 0.893 57.128 56.400 -0.274 0.000 0.845 214 E CB -0.074 29.426 29.700 -0.333 0.000 0.766 214 E HN 0.412 nan 8.360 nan 0.000 0.507 215 H N -2.043 117.055 119.070 0.046 0.000 2.662 215 H HA 0.189 4.748 4.556 0.006 0.000 0.268 215 H C 1.428 176.786 175.328 0.050 0.000 1.152 215 H CA 0.493 56.574 56.048 0.055 0.000 1.072 215 H CB 0.889 30.674 29.762 0.039 0.000 1.660 215 H HN 0.210 nan 8.280 nan 0.000 0.584 216 G N 1.429 110.325 108.800 0.160 0.000 2.440 216 G HA2 -0.285 3.679 3.960 0.006 0.000 0.218 216 G HA3 -0.285 3.679 3.960 0.006 0.000 0.218 216 G C 1.782 176.781 174.900 0.165 0.000 1.154 216 G CA 0.565 45.734 45.100 0.116 0.000 0.767 216 G HN 0.173 nan 8.290 nan 0.000 0.552 217 K N -0.044 120.533 120.400 0.294 0.000 2.209 217 K HA 0.055 4.379 4.320 0.006 0.000 0.204 217 K C 2.420 179.056 176.600 0.060 0.000 1.048 217 K CA 0.650 57.058 56.287 0.201 0.000 0.940 217 K CB -0.184 32.423 32.500 0.178 0.000 0.729 217 K HN 0.263 nan 8.250 nan 0.000 0.451 218 R N 0.114 120.643 120.500 0.049 0.000 2.090 218 R HA -0.002 4.342 4.340 0.006 0.000 0.228 218 R C 2.080 178.305 176.300 -0.126 0.000 1.110 218 R CA 0.863 56.955 56.100 -0.014 0.000 0.973 218 R CB -0.207 30.111 30.300 0.029 0.000 0.869 218 R HN 0.203 nan 8.270 nan 0.000 0.440 219 L N 1.062 122.167 121.223 -0.197 0.000 2.046 219 L HA -0.180 4.164 4.340 0.006 0.000 0.208 219 L C 1.657 178.286 176.870 -0.401 0.000 1.077 219 L CA 1.821 56.428 54.840 -0.388 0.000 0.747 219 L CB -0.315 41.383 42.059 -0.603 0.000 0.896 219 L HN 0.331 nan 8.230 nan 0.000 0.432 220 E N -0.309 119.694 120.200 -0.328 0.000 2.051 220 E HA -0.250 4.103 4.350 0.006 0.000 0.192 220 E C 2.168 178.693 176.600 -0.125 0.000 0.991 220 E CA 1.221 57.488 56.400 -0.222 0.000 0.799 220 E CB -0.057 29.607 29.700 -0.060 0.000 0.748 220 E HN 0.515 nan 8.360 nan 0.000 0.449 221 R N 0.400 120.832 120.500 -0.114 0.000 2.096 221 R HA -0.146 4.198 4.340 0.006 0.000 0.235 221 R C 2.468 178.633 176.300 -0.226 0.000 1.127 221 R CA 0.906 56.938 56.100 -0.114 0.000 0.968 221 R CB -0.380 29.865 30.300 -0.091 0.000 0.861 221 R HN 0.114 nan 8.270 nan 0.000 0.440 222 L N 0.758 121.788 121.223 -0.321 0.000 2.027 222 L HA -0.072 4.272 4.340 0.006 0.000 0.206 222 L C 2.322 178.824 176.870 -0.614 0.000 1.074 222 L CA 1.916 56.398 54.840 -0.597 0.000 0.745 222 L CB -0.608 41.121 42.059 -0.551 0.000 0.898 222 L HN 0.146 nan 8.230 nan 0.000 0.433 223 A N -0.608 122.061 122.820 -0.251 0.000 1.883 223 A HA -0.260 4.064 4.320 0.006 0.000 0.217 223 A C 2.276 180.046 177.584 0.309 0.000 1.186 223 A CA 2.070 54.182 52.037 0.126 0.000 0.624 223 A CB -0.606 18.440 19.000 0.076 0.000 0.822 223 A HN 0.396 nan 8.150 nan 0.000 0.444 224 K N -0.286 120.224 120.400 0.184 0.000 2.063 224 K HA -0.090 4.233 4.320 0.006 0.000 0.208 224 K C 1.985 178.579 176.600 -0.009 0.000 1.048 224 K CA 1.463 57.849 56.287 0.164 0.000 0.928 224 K CB -0.932 31.624 32.500 0.092 0.000 0.713 224 K HN 0.460 nan 8.250 nan 0.000 0.442 225 G N -0.998 107.698 108.800 -0.172 0.000 2.422 225 G HA2 -0.186 3.778 3.960 0.006 0.000 0.218 225 G HA3 -0.186 3.778 3.960 0.006 0.000 0.218 225 G C 1.396 176.187 174.900 -0.181 0.000 1.140 225 G CA 0.447 45.400 45.100 -0.245 0.000 0.775 225 G HN 0.285 nan 8.290 nan 0.000 0.545 226 F N -0.994 118.818 119.950 -0.230 0.000 2.335 226 F HA 0.284 4.814 4.527 0.006 0.000 0.296 226 F C 0.492 175.842 175.800 -0.749 0.000 1.091 226 F CA -0.115 57.576 58.000 -0.514 0.000 1.399 226 F CB 0.326 38.956 39.000 -0.617 0.000 1.067 226 F HN -0.027 nan 8.300 nan 0.000 0.520 227 F N 0.769 120.744 119.950 0.042 0.000 2.523 227 F HA 0.292 4.823 4.527 0.006 0.000 0.322 227 F C -1.691 173.953 175.800 -0.261 0.000 1.361 227 F CA -2.446 55.474 58.000 -0.132 0.000 1.151 227 F CB -0.060 38.802 39.000 -0.230 0.000 1.391 227 F HN -0.247 nan 8.300 nan 0.000 0.566 228 P HA -0.168 nan 4.420 nan 0.000 0.215 228 P C 1.780 179.028 177.300 -0.087 0.000 1.153 228 P CA 1.760 64.817 63.100 -0.072 0.000 0.853 228 P CB 0.306 31.975 31.700 -0.052 0.000 0.788 229 G N 0.179 108.941 108.800 -0.064 0.000 2.459 229 G HA2 -0.239 3.725 3.960 0.006 0.000 0.217 229 G HA3 -0.239 3.725 3.960 0.006 0.000 0.217 229 G C 1.798 176.638 174.900 -0.099 0.000 1.183 229 G CA 1.217 46.287 45.100 -0.050 0.000 0.776 229 G HN 0.250 nan 8.290 nan 0.000 0.552 230 S N 1.215 116.792 115.700 -0.204 0.000 2.368 230 S HA -0.030 4.444 4.470 0.006 0.000 0.225 230 S C 2.776 177.122 174.600 -0.423 0.000 1.030 230 S CA 1.238 59.229 58.200 -0.348 0.000 0.999 230 S CB -0.431 62.359 63.200 -0.684 0.000 0.844 230 S HN 0.607 nan 8.310 nan 0.000 0.459 231 A N 2.158 124.654 122.820 -0.540 0.000 1.902 231 A HA -0.222 4.101 4.320 0.006 0.000 0.217 231 A C 2.176 179.754 177.584 -0.010 0.000 1.181 231 A CA 1.683 53.608 52.037 -0.186 0.000 0.623 231 A CB -0.712 18.243 19.000 -0.075 0.000 0.818 231 A HN 0.744 nan 8.150 nan 0.000 0.443 232 Q N -0.165 119.615 119.800 -0.033 0.000 2.378 232 Q HA -0.045 4.299 4.340 0.006 0.000 0.205 232 Q C 1.695 177.714 176.000 0.032 0.000 0.954 232 Q CA 1.480 57.289 55.803 0.010 0.000 0.901 232 Q CB -0.399 28.340 28.738 0.001 0.000 0.981 232 Q HN 0.656 nan 8.270 nan 0.000 0.483 233 S N -0.685 115.036 115.700 0.034 0.000 2.501 233 S HA 0.132 4.606 4.470 0.006 0.000 0.220 233 S C 0.493 175.163 174.600 0.117 0.000 0.997 233 S CA -0.053 58.189 58.200 0.069 0.000 0.919 233 S CB 0.544 63.787 63.200 0.071 0.000 0.778 233 S HN 0.475 nan 8.310 nan 0.000 0.523 234 C N 2.381 121.763 119.300 0.137 0.000 3.029 234 C HA 0.433 4.897 4.460 0.006 0.000 0.396 234 C C 0.904 176.013 174.990 0.198 0.000 1.072 234 C CA -0.576 58.550 59.018 0.179 0.000 1.269 234 C CB 0.424 28.326 27.740 0.270 0.000 1.684 234 C HN 0.496 nan 8.230 nan 0.000 0.510 235 E N 3.454 123.750 120.200 0.159 0.000 2.086 235 E HA -0.106 4.247 4.350 0.006 0.000 0.200 235 E C 1.346 178.054 176.600 0.179 0.000 1.012 235 E CA 1.908 58.409 56.400 0.168 0.000 0.812 235 E CB -0.269 29.500 29.700 0.115 0.000 0.743 235 E HN 0.917 nan 8.360 nan 0.000 0.453 236 A N 0.781 123.667 122.820 0.110 0.000 3.105 236 A HA 0.333 4.657 4.320 0.006 0.000 0.272 236 A C 0.861 178.363 177.584 -0.137 0.000 1.466 236 A CA -0.319 51.730 52.037 0.019 0.000 1.101 236 A CB -1.447 17.588 19.000 0.058 0.000 1.065 236 A HN 0.406 nan 8.150 nan 0.000 0.643 237 F N -1.626 118.182 119.950 -0.237 0.000 2.333 237 F HA -0.084 4.446 4.527 0.006 0.000 0.300 237 F C 1.180 176.684 175.800 -0.493 0.000 1.083 237 F CA 0.910 58.535 58.000 -0.625 0.000 1.395 237 F CB -0.540 38.271 39.000 -0.315 0.000 1.056 237 F HN 0.226 nan 8.300 nan 0.000 0.529 238 L N 0.479 121.130 121.223 -0.953 0.000 2.265 238 L HA -0.072 4.272 4.340 0.006 0.000 0.215 238 L C 2.437 179.216 176.870 -0.151 0.000 1.117 238 L CA 0.905 55.409 54.840 -0.559 0.000 0.782 238 L CB -0.581 41.252 42.059 -0.377 0.000 0.914 238 L HN 0.157 nan 8.230 nan 0.000 0.441 239 R N -0.968 119.453 120.500 -0.132 0.000 2.316 239 R HA -0.081 4.263 4.340 0.006 0.000 0.202 239 R C 1.621 177.993 176.300 0.120 0.000 1.029 239 R CA 0.544 56.663 56.100 0.033 0.000 1.018 239 R CB -0.300 30.041 30.300 0.068 0.000 0.888 239 R HN 0.589 nan 8.270 nan 0.000 0.471 240 H N 0.639 119.734 119.070 0.043 0.000 2.546 240 H HA 0.063 4.624 4.556 0.008 0.000 0.277 240 H C 0.150 175.484 175.328 0.010 0.000 1.004 240 H CA -0.041 56.030 56.048 0.039 0.000 1.231 240 H CB 0.181 29.979 29.762 0.059 0.000 1.382 240 H HN -0.040 nan 8.280 nan 0.000 0.580 241 K N -0.313 120.151 120.400 0.108 0.000 3.150 241 K HA -0.224 4.100 4.320 0.006 0.000 0.267 241 K C 0.035 176.666 176.600 0.052 0.000 1.028 241 K CA 0.550 56.868 56.287 0.052 0.000 0.753 241 K CB -1.030 31.456 32.500 -0.022 0.000 1.288 241 K HN 0.444 nan 8.250 nan 0.000 0.473 242 M N -0.963 118.665 119.600 0.046 0.000 2.300 242 M HA 0.024 4.508 4.480 0.006 0.000 0.313 242 M C -0.137 176.151 176.300 -0.020 0.000 0.988 242 M CA 0.160 55.449 55.300 -0.018 0.000 1.012 242 M CB 1.327 33.871 32.600 -0.094 0.000 1.586 242 M HN -0.013 nan 8.290 nan 0.000 0.562 243 T N 2.644 117.207 114.554 0.015 0.000 2.749 243 T HA 0.603 4.957 4.350 0.006 0.000 0.287 243 T C -0.390 174.452 174.700 0.237 0.000 0.970 243 T CA -0.204 61.901 62.100 0.008 0.000 0.980 243 T CB 1.143 69.959 68.868 -0.086 0.000 0.924 243 T HN 0.113 nan 8.240 nan 0.000 0.456 244 L N 4.485 125.908 121.223 0.333 0.000 2.322 244 L HA 0.676 5.020 4.340 0.006 0.000 0.281 244 L C -0.520 176.733 176.870 0.639 0.000 1.014 244 L CA -0.924 54.227 54.840 0.519 0.000 0.815 244 L CB 1.543 43.874 42.059 0.454 0.000 1.247 244 L HN 0.519 nan 8.230 nan 0.000 0.421 245 I N 1.776 122.761 120.570 0.691 0.000 2.512 245 I HA 0.220 4.394 4.170 0.006 0.000 0.287 245 I C 0.163 176.305 176.117 0.042 0.000 1.069 245 I CA -0.395 61.105 61.300 0.334 0.000 1.056 245 I CB 2.408 40.458 38.000 0.083 0.000 1.229 245 I HN 0.658 nan 8.210 nan 0.000 0.429 246 S N 6.640 122.050 115.700 -0.485 0.000 2.603 246 S HA 0.361 4.835 4.470 0.006 0.000 0.268 246 S C -1.567 172.520 174.600 -0.855 0.000 1.317 246 S CA -0.903 56.437 58.200 -1.433 0.000 1.012 246 S CB 0.959 63.320 63.200 -1.398 0.000 0.926 246 S HN 0.510 nan 8.310 nan 0.000 0.539 247 P HA -0.075 nan 4.420 nan 0.000 0.220 247 P C 1.554 178.628 177.300 -0.377 0.000 1.148 247 P CA 0.899 63.555 63.100 -0.741 0.000 0.803 247 P CB -0.083 31.383 31.700 -0.390 0.000 0.782 248 L N -1.614 119.426 121.223 -0.305 0.000 2.083 248 L HA -0.125 4.219 4.340 0.006 0.000 0.209 248 L C 2.777 179.587 176.870 -0.099 0.000 1.083 248 L CA 1.201 55.964 54.840 -0.129 0.000 0.752 248 L CB -0.779 41.207 42.059 -0.122 0.000 0.899 248 L HN -0.049 nan 8.230 nan 0.000 0.433 249 M N -0.508 118.998 119.600 -0.156 0.000 2.132 249 M HA -0.137 4.346 4.480 0.006 0.000 0.263 249 M C 2.328 178.675 176.300 0.079 0.000 1.065 249 M CA 1.630 56.925 55.300 -0.010 0.000 1.122 249 M CB -0.775 31.776 32.600 -0.082 0.000 1.365 249 M HN 0.231 nan 8.290 nan 0.000 0.411 250 L N -0.613 120.537 121.223 -0.121 0.000 2.046 250 L HA -0.242 4.101 4.340 0.006 0.000 0.208 250 L C 2.539 179.453 176.870 0.073 0.000 1.077 250 L CA 1.253 56.026 54.840 -0.112 0.000 0.747 250 L CB -0.769 41.025 42.059 -0.441 0.000 0.896 250 L HN 0.318 nan 8.230 nan 0.000 0.432 251 K N 0.872 121.337 120.400 0.109 0.000 2.026 251 K HA -0.252 4.072 4.320 0.006 0.000 0.208 251 K C 2.249 178.885 176.600 0.059 0.000 1.048 251 K CA 1.612 58.008 56.287 0.182 0.000 0.929 251 K CB -0.028 32.588 32.500 0.194 0.000 0.713 251 K HN 0.088 nan 8.250 nan 0.000 0.439 252 K N -0.423 119.983 120.400 0.010 0.000 2.209 252 K HA -0.168 4.156 4.320 0.006 0.000 0.204 252 K C 0.557 176.955 176.600 -0.337 0.000 1.048 252 K CA 1.389 57.585 56.287 -0.152 0.000 0.940 252 K CB 0.039 32.431 32.500 -0.179 0.000 0.729 252 K HN 0.217 nan 8.250 nan 0.000 0.451 253 Y N -0.125 120.178 120.300 0.004 0.000 2.658 253 Y HA 0.258 4.812 4.550 0.007 0.000 0.276 253 Y C 0.931 176.813 175.900 -0.030 0.000 1.167 253 Y CA 0.080 58.173 58.100 -0.012 0.000 1.230 253 Y CB 0.926 39.374 38.460 -0.019 0.000 1.144 253 Y HN 0.261 nan 8.280 nan 0.000 0.529 254 G N 1.145 109.973 108.800 0.047 0.000 2.203 254 G HA2 -0.321 3.642 3.960 0.006 0.000 0.263 254 G HA3 -0.321 3.642 3.960 0.006 0.000 0.263 254 G C 0.086 174.993 174.900 0.011 0.000 1.012 254 G CA 0.132 45.245 45.100 0.022 0.000 0.749 254 G HN 0.424 nan 8.290 nan 0.000 0.512 255 I N 2.563 123.163 120.570 0.049 0.000 2.322 255 I HA 0.213 4.387 4.170 0.006 0.000 0.292 255 I C -1.427 174.761 176.117 0.118 0.000 1.060 255 I CA -2.096 59.211 61.300 0.012 0.000 1.309 255 I CB 1.060 39.033 38.000 -0.046 0.000 1.415 255 I HN -0.038 nan 8.210 nan 0.000 0.492 256 P HA 0.189 nan 4.420 nan 0.000 0.271 256 P C -0.980 176.472 177.300 0.253 0.000 1.216 256 P CA 0.288 63.414 63.100 0.044 0.000 0.776 256 P CB 0.609 32.219 31.700 -0.149 0.000 0.881 257 F N -0.743 119.258 119.950 0.085 0.000 2.773 257 F HA 0.732 5.263 4.527 0.007 0.000 0.314 257 F C -1.857 174.064 175.800 0.202 0.000 1.160 257 F CA -1.031 57.079 58.000 0.183 0.000 0.920 257 F CB 1.265 40.411 39.000 0.244 0.000 1.323 257 F HN 0.157 nan 8.300 nan 0.000 0.457 258 D N 0.402 120.971 120.400 0.282 0.000 2.570 258 D HA 0.494 5.138 4.640 0.006 0.000 0.244 258 D C -1.855 174.677 176.300 0.386 0.000 1.178 258 D CA -0.540 53.541 54.000 0.134 0.000 0.881 258 D CB 2.731 43.584 40.800 0.088 0.000 1.453 258 D HN 0.853 nan 8.370 nan 0.000 0.447 259 K N -0.260 120.293 120.400 0.254 0.000 2.435 259 K HA 0.807 5.131 4.320 0.006 0.000 0.251 259 K C -1.580 175.036 176.600 0.027 0.000 0.954 259 K CA -0.943 55.462 56.287 0.197 0.000 0.820 259 K CB 2.592 35.246 32.500 0.257 0.000 1.292 259 K HN 0.164 nan 8.250 nan 0.000 0.436 260 V N 0.460 120.342 119.914 -0.055 0.000 3.120 260 V HA 0.467 4.591 4.120 0.006 0.000 0.303 260 V C -1.755 174.244 176.094 -0.159 0.000 1.238 260 V CA -0.262 61.968 62.300 -0.116 0.000 1.008 260 V CB 2.715 34.487 31.823 -0.086 0.000 1.064 260 V HN 0.992 nan 8.190 nan 0.000 0.434 261 T N 4.818 119.239 114.554 -0.221 0.000 2.792 261 T HA 0.427 4.780 4.350 0.006 0.000 0.280 261 T C -0.780 173.837 174.700 -0.138 0.000 0.990 261 T CA -0.146 61.825 62.100 -0.215 0.000 0.960 261 T CB 1.291 69.957 68.868 -0.337 0.000 0.939 261 T HN 0.793 nan 8.240 nan 0.000 0.439 262 Q N 2.894 122.652 119.800 -0.069 0.000 2.257 262 Q HA 0.274 4.617 4.340 0.006 0.000 0.255 262 Q C -0.592 175.325 176.000 -0.137 0.000 0.920 262 Q CA -0.571 55.181 55.803 -0.085 0.000 0.927 262 Q CB 0.789 29.550 28.738 0.038 0.000 1.229 262 Q HN 0.543 nan 8.270 nan 0.000 0.433 263 E N 1.564 121.680 120.200 -0.140 0.000 2.222 263 E HA 0.421 4.775 4.350 0.006 0.000 0.267 263 E C -0.758 175.736 176.600 -0.178 0.000 0.963 263 E CA -0.688 55.631 56.400 -0.134 0.000 0.837 263 E CB 1.528 31.179 29.700 -0.082 0.000 1.183 263 E HN 0.782 nan 8.360 nan 0.000 0.403 264 A N 0.383 123.105 122.820 -0.163 0.000 2.587 264 A HA 0.324 4.648 4.320 0.006 0.000 0.235 264 A C 1.225 178.678 177.584 -0.219 0.000 1.044 264 A CA 1.146 53.053 52.037 -0.217 0.000 0.754 264 A CB -0.588 18.351 19.000 -0.101 0.000 0.968 264 A HN 0.856 nan 8.150 nan 0.000 0.509 265 G N 1.375 109.937 108.800 -0.397 0.000 2.176 265 G HA2 -0.198 3.765 3.960 0.006 0.000 0.253 265 G HA3 -0.198 3.765 3.960 0.006 0.000 0.253 265 G C -0.022 174.765 174.900 -0.189 0.000 0.979 265 G CA 0.610 45.581 45.100 -0.214 0.000 0.641 265 G HN 0.912 nan 8.290 nan 0.000 0.530 266 E N -0.822 119.170 120.200 -0.346 0.000 2.202 266 E HA 0.678 5.032 4.350 0.006 0.000 0.272 266 E C -0.728 175.735 176.600 -0.228 0.000 0.951 266 E CA -0.861 55.428 56.400 -0.186 0.000 0.813 266 E CB 1.177 30.791 29.700 -0.144 0.000 1.151 266 E HN 0.132 nan 8.360 nan 0.000 0.398 267 F N 1.491 121.473 119.950 0.052 0.000 2.425 267 F HA 0.422 4.953 4.527 0.006 0.000 0.331 267 F C 0.224 176.026 175.800 0.003 0.000 1.085 267 F CA -0.737 57.356 58.000 0.155 0.000 1.028 267 F CB 1.095 40.295 39.000 0.333 0.000 1.177 267 F HN 0.117 nan 8.300 nan 0.000 0.487 268 M N 4.070 123.760 119.600 0.149 0.000 2.395 268 M HA 0.496 4.980 4.480 0.006 0.000 0.307 268 M C -0.953 175.290 176.300 -0.095 0.000 1.091 268 M CA -0.608 54.572 55.300 -0.200 0.000 0.919 268 M CB 2.083 34.214 32.600 -0.783 0.000 1.662 268 M HN 0.405 nan 8.290 nan 0.000 0.440 269 I N 1.993 122.476 120.570 -0.145 0.000 2.466 269 I HA 0.407 4.580 4.170 0.006 0.000 0.289 269 I C 0.162 176.048 176.117 -0.385 0.000 1.026 269 I CA -0.604 60.594 61.300 -0.170 0.000 1.078 269 I CB 2.412 40.332 38.000 -0.133 0.000 1.249 269 I HN 0.706 nan 8.210 nan 0.000 0.429 270 T N 2.654 116.955 114.554 -0.422 0.000 2.895 270 T HA 0.673 5.027 4.350 0.006 0.000 0.283 270 T C -0.586 173.785 174.700 -0.549 0.000 1.014 270 T CA -0.422 61.436 62.100 -0.404 0.000 1.037 270 T CB 1.170 69.749 68.868 -0.481 0.000 1.006 270 T HN 0.152 nan 8.240 nan 0.000 0.468 271 F N 1.516 121.328 119.950 -0.230 0.000 2.497 271 F HA 0.558 5.089 4.527 0.006 0.000 0.331 271 F C -2.189 173.277 175.800 -0.557 0.000 1.060 271 F CA -2.806 54.901 58.000 -0.488 0.000 0.989 271 F CB 0.731 39.548 39.000 -0.304 0.000 1.245 271 F HN 0.364 nan 8.300 nan 0.000 0.486 272 P HA -0.093 nan 4.420 nan 0.000 0.261 272 P C -0.583 176.554 177.300 -0.272 0.000 1.183 272 P CA 0.901 63.633 63.100 -0.614 0.000 0.761 272 P CB -0.159 30.817 31.700 -1.206 0.000 0.785 273 Y N 1.789 121.977 120.300 -0.186 0.000 4.272 273 Y HA -0.221 4.333 4.550 0.006 0.000 0.232 273 Y C 0.476 176.318 175.900 -0.098 0.000 1.149 273 Y CA 1.238 59.289 58.100 -0.081 0.000 1.961 273 Y CB -1.655 36.908 38.460 0.173 0.000 1.611 273 Y HN 0.462 nan 8.280 nan 0.000 0.682 274 G N 1.190 109.900 108.800 -0.150 0.000 2.356 274 G HA2 0.414 4.378 3.960 0.006 0.000 0.312 274 G HA3 0.414 4.378 3.960 0.006 0.000 0.312 274 G C -0.846 174.079 174.900 0.042 0.000 1.096 274 G CA -0.427 44.662 45.100 -0.017 0.000 0.950 274 G HN 0.281 nan 8.290 nan 0.000 0.428 275 Y N 3.406 123.732 120.300 0.042 0.000 2.425 275 Y HA 0.284 4.837 4.550 0.006 0.000 0.331 275 Y C 1.304 177.476 175.900 0.454 0.000 1.157 275 Y CA 0.308 58.491 58.100 0.138 0.000 1.372 275 Y CB 0.769 39.291 38.460 0.103 0.000 1.253 275 Y HN 0.661 nan 8.280 nan 0.000 0.536 276 H N 0.652 119.941 119.070 0.364 0.000 3.008 276 H HA 0.929 5.489 4.556 0.007 0.000 0.354 276 H C -1.600 173.580 175.328 -0.248 0.000 1.252 276 H CA -1.383 54.775 56.048 0.183 0.000 1.117 276 H CB 1.365 31.330 29.762 0.339 0.000 1.857 276 H HN 0.677 nan 8.280 nan 0.000 0.547 277 A N -0.074 122.390 122.820 -0.594 0.000 2.599 277 A HA 0.853 5.177 4.320 0.006 0.000 0.290 277 A C -0.558 176.280 177.584 -1.243 0.000 1.101 277 A CA -0.219 51.174 52.037 -1.073 0.000 0.674 277 A CB 1.687 19.602 19.000 -1.807 0.000 1.277 277 A HN 1.456 nan 8.150 nan 0.000 0.419 278 G N -1.474 106.200 108.800 -1.877 0.000 2.341 278 G HA2 0.735 4.699 3.960 0.006 0.000 0.299 278 G HA3 0.735 4.699 3.960 0.006 0.000 0.299 278 G C -1.362 172.883 174.900 -1.092 0.000 1.274 278 G CA 0.267 44.489 45.100 -1.463 0.000 0.853 278 G HN 2.159 nan 8.290 nan 0.000 0.493 279 F N -1.417 118.085 119.950 -0.746 0.000 2.693 279 F HA 0.723 5.253 4.527 0.006 0.000 0.309 279 F C -1.094 174.547 175.800 -0.265 0.000 1.129 279 F CA -1.617 56.013 58.000 -0.616 0.000 0.948 279 F CB 1.069 39.327 39.000 -1.236 0.000 1.315 279 F HN 0.383 nan 8.300 nan 0.000 0.447 280 N N 0.823 119.542 118.700 0.031 0.000 2.498 280 N HA 0.181 4.925 4.740 0.006 0.000 0.287 280 N C 0.179 175.984 175.510 0.490 0.000 1.097 280 N CA -0.425 52.706 53.050 0.135 0.000 0.973 280 N CB 1.052 39.562 38.487 0.037 0.000 1.153 280 N HN 0.747 nan 8.380 nan 0.000 0.472 281 H N 0.346 119.585 119.070 0.281 0.000 2.436 281 H HA 0.187 4.747 4.556 0.006 0.000 0.294 281 H C 1.337 176.942 175.328 0.463 0.000 1.048 281 H CA 0.866 57.179 56.048 0.442 0.000 1.353 281 H CB 0.259 30.183 29.762 0.268 0.000 1.414 281 H HN 0.756 nan 8.280 nan 0.000 0.536 282 G N -1.520 107.566 108.800 0.476 0.000 2.510 282 G HA2 0.169 4.133 3.960 0.006 0.000 0.277 282 G HA3 0.169 4.133 3.960 0.006 0.000 0.277 282 G C -1.415 173.719 174.900 0.390 0.000 1.223 282 G CA -0.810 44.550 45.100 0.432 0.000 0.887 282 G HN 0.078 nan 8.290 nan 0.000 0.485 283 F N 3.107 123.219 119.950 0.269 0.000 2.578 283 F HA 0.469 5.000 4.527 0.006 0.000 0.381 283 F C 0.311 176.280 175.800 0.283 0.000 1.069 283 F CA -0.272 57.913 58.000 0.309 0.000 1.231 283 F CB 0.002 39.175 39.000 0.287 0.000 1.086 283 F HN 0.783 nan 8.300 nan 0.000 0.564 284 N N 4.417 122.848 118.700 -0.448 0.000 3.116 284 N HA 0.381 5.124 4.740 0.006 0.000 0.244 284 N C -2.051 173.039 175.510 -0.700 0.000 1.485 284 N CA -0.889 51.832 53.050 -0.548 0.000 0.884 284 N CB 1.275 39.606 38.487 -0.260 0.000 1.415 284 N HN 0.676 nan 8.380 nan 0.000 0.524 285 C N 0.476 119.197 119.300 -0.966 0.000 2.551 285 C HA 0.957 5.421 4.460 0.006 0.000 0.332 285 C C -0.914 173.679 174.990 -0.661 0.000 1.139 285 C CA 0.115 58.541 59.018 -0.986 0.000 1.328 285 C CB -0.052 26.800 27.740 -1.480 0.000 1.903 285 C HN 1.004 nan 8.230 nan 0.000 0.459 286 A N 4.258 126.835 122.820 -0.405 0.000 2.454 286 A HA 0.895 5.218 4.320 0.006 0.000 0.302 286 A C -1.178 176.421 177.584 0.025 0.000 1.079 286 A CA -0.421 51.502 52.037 -0.189 0.000 0.731 286 A CB 1.464 20.365 19.000 -0.164 0.000 1.299 286 A HN 0.924 nan 8.150 nan 0.000 0.413 287 E N 0.244 120.530 120.200 0.142 0.000 2.266 287 E HA 0.689 5.043 4.350 0.006 0.000 0.268 287 E C -0.777 175.984 176.600 0.269 0.000 0.879 287 E CA -0.376 56.193 56.400 0.281 0.000 0.762 287 E CB 1.696 31.680 29.700 0.474 0.000 1.199 287 E HN 0.962 nan 8.360 nan 0.000 0.422 288 S N 2.063 117.934 115.700 0.284 0.000 2.615 288 S HA 0.723 5.196 4.470 0.006 0.000 0.269 288 S C -0.786 173.908 174.600 0.156 0.000 1.161 288 S CA -0.659 57.672 58.200 0.219 0.000 0.817 288 S CB 2.043 65.348 63.200 0.175 0.000 1.131 288 S HN 0.519 nan 8.310 nan 0.000 0.467 289 T N -0.067 114.537 114.554 0.083 0.000 2.693 289 T HA 0.506 4.859 4.350 0.006 0.000 0.304 289 T C -1.794 172.904 174.700 -0.003 0.000 1.471 289 T CA -0.686 61.407 62.100 -0.011 0.000 0.993 289 T CB 1.118 69.949 68.868 -0.063 0.000 1.554 289 T HN 0.821 nan 8.240 nan 0.000 0.496 290 N N -0.134 118.525 118.700 -0.068 0.000 2.477 290 N HA 0.833 5.577 4.740 0.006 0.000 0.284 290 N C -1.089 174.383 175.510 -0.062 0.000 1.182 290 N CA -0.636 52.344 53.050 -0.116 0.000 0.949 290 N CB 1.113 39.482 38.487 -0.196 0.000 1.204 290 N HN 0.546 nan 8.380 nan 0.000 0.526 291 F N -1.750 118.046 119.950 -0.256 0.000 2.711 291 F HA 0.891 5.422 4.527 0.006 0.000 0.313 291 F C -1.524 174.040 175.800 -0.393 0.000 1.141 291 F CA -1.246 56.567 58.000 -0.312 0.000 0.941 291 F CB 0.838 39.665 39.000 -0.288 0.000 1.349 291 F HN 0.464 nan 8.300 nan 0.000 0.464 292 A N 0.620 123.337 122.820 -0.172 0.000 2.430 292 A HA 0.901 5.225 4.320 0.006 0.000 0.300 292 A C -1.049 176.481 177.584 -0.090 0.000 1.124 292 A CA -0.744 51.104 52.037 -0.315 0.000 0.766 292 A CB 1.784 20.451 19.000 -0.554 0.000 1.328 292 A HN 0.962 nan 8.150 nan 0.000 0.424 293 T N -0.641 113.932 114.554 0.032 0.000 2.883 293 T HA 0.372 4.726 4.350 0.006 0.000 0.296 293 T C 1.073 175.809 174.700 0.060 0.000 1.117 293 T CA -0.634 61.472 62.100 0.009 0.000 1.006 293 T CB 1.518 70.378 68.868 -0.014 0.000 1.191 293 T HN 0.612 nan 8.240 nan 0.000 0.508 294 R N 0.424 120.885 120.500 -0.065 0.000 2.120 294 R HA -0.038 4.306 4.340 0.006 0.000 0.234 294 R C 2.302 178.579 176.300 -0.039 0.000 1.123 294 R CA 1.132 57.137 56.100 -0.157 0.000 0.975 294 R CB -0.081 30.137 30.300 -0.136 0.000 0.866 294 R HN 0.415 nan 8.270 nan 0.000 0.446 295 R N 0.062 120.599 120.500 0.061 0.000 2.148 295 R HA -0.182 4.162 4.340 0.006 0.000 0.227 295 R C 1.908 178.317 176.300 0.182 0.000 1.103 295 R CA 1.322 57.485 56.100 0.105 0.000 0.983 295 R CB -0.221 30.151 30.300 0.120 0.000 0.874 295 R HN 0.328 nan 8.270 nan 0.000 0.451 296 W N 0.998 122.333 121.300 0.059 0.000 2.425 296 W HA -0.081 4.583 4.660 0.006 0.000 0.277 296 W C 1.252 177.769 176.519 -0.004 0.000 1.231 296 W CA 0.893 58.249 57.345 0.018 0.000 1.248 296 W CB -0.164 29.285 29.460 -0.018 0.000 1.117 296 W HN 0.003 nan 8.180 nan 0.000 0.568 297 I N 0.959 121.212 120.570 -0.528 0.000 2.145 297 I HA -0.383 3.791 4.170 0.006 0.000 0.244 297 I C 2.531 178.217 176.117 -0.720 0.000 1.075 297 I CA 1.835 62.629 61.300 -0.843 0.000 1.332 297 I CB -0.632 37.118 38.000 -0.416 0.000 1.033 297 I HN -0.034 nan 8.210 nan 0.000 0.410 298 E N 0.130 120.075 120.200 -0.424 0.000 2.110 298 E HA -0.206 4.148 4.350 0.006 0.000 0.193 298 E C 2.127 178.466 176.600 -0.435 0.000 0.988 298 E CA 1.471 57.639 56.400 -0.388 0.000 0.804 298 E CB -0.313 29.188 29.700 -0.332 0.000 0.745 298 E HN 0.547 nan 8.360 nan 0.000 0.458 299 Y N 0.309 120.321 120.300 -0.480 0.000 2.145 299 Y HA -0.131 4.423 4.550 0.006 0.000 0.286 299 Y C 2.536 178.170 175.900 -0.443 0.000 1.145 299 Y CA 1.465 59.342 58.100 -0.372 0.000 1.148 299 Y CB -0.803 37.517 38.460 -0.234 0.000 0.981 299 Y HN 0.129 nan 8.280 nan 0.000 0.507 300 G N -0.141 108.194 108.800 -0.774 0.000 2.450 300 G HA2 -0.231 3.733 3.960 0.006 0.000 0.220 300 G HA3 -0.231 3.733 3.960 0.006 0.000 0.220 300 G C 1.603 176.332 174.900 -0.286 0.000 1.130 300 G CA 0.881 45.626 45.100 -0.591 0.000 0.760 300 G HN 0.332 nan 8.290 nan 0.000 0.557 301 K N -0.157 120.037 120.400 -0.344 0.000 2.217 301 K HA 0.012 4.336 4.320 0.006 0.000 0.202 301 K C 2.138 178.726 176.600 -0.021 0.000 1.051 301 K CA 0.805 57.010 56.287 -0.138 0.000 0.952 301 K CB 0.053 32.409 32.500 -0.239 0.000 0.736 301 K HN 0.354 nan 8.250 nan 0.000 0.453 302 Q N 0.137 119.878 119.800 -0.099 0.000 2.219 302 Q HA 0.216 4.560 4.340 0.006 0.000 0.209 302 Q C -0.258 175.719 176.000 -0.037 0.000 0.854 302 Q CA -0.436 55.325 55.803 -0.070 0.000 0.960 302 Q CB 1.101 29.746 28.738 -0.156 0.000 1.116 302 Q HN 0.147 nan 8.270 nan 0.000 0.500 303 A N 1.041 123.865 122.820 0.007 0.000 2.520 303 A HA 0.208 4.532 4.320 0.006 0.000 0.245 303 A C 0.153 177.785 177.584 0.079 0.000 1.072 303 A CA -0.080 51.999 52.037 0.070 0.000 0.761 303 A CB 0.339 19.418 19.000 0.133 0.000 1.004 303 A HN 0.108 nan 8.150 nan 0.000 0.499 304 V N 4.959 124.928 119.914 0.091 0.000 2.432 304 V HA 0.257 4.381 4.120 0.006 0.000 0.271 304 V C 0.334 176.492 176.094 0.107 0.000 1.046 304 V CA 0.071 62.427 62.300 0.092 0.000 0.945 304 V CB 0.346 32.228 31.823 0.098 0.000 0.992 304 V HN 0.698 nan 8.190 nan 0.000 0.471 305 L N 4.349 125.633 121.223 0.102 0.000 2.334 305 L HA 0.566 4.909 4.340 0.006 0.000 0.270 305 L C 0.252 177.187 176.870 0.108 0.000 1.018 305 L CA -0.512 54.393 54.840 0.108 0.000 0.811 305 L CB 1.722 43.847 42.059 0.110 0.000 1.271 305 L HN 0.729 nan 8.230 nan 0.000 0.443 306 C N 0.618 119.991 119.300 0.121 0.000 2.435 306 C HA 0.410 4.874 4.460 0.006 0.000 0.375 306 C C 1.438 176.512 174.990 0.140 0.000 1.281 306 C CA 0.139 59.246 59.018 0.149 0.000 1.963 306 C CB 0.287 28.151 27.740 0.207 0.000 2.490 306 C HN 0.945 nan 8.230 nan 0.000 0.557 307 S N 2.929 118.710 115.700 0.135 0.000 2.549 307 S HA -0.051 4.423 4.470 0.006 0.000 0.225 307 S C 1.625 176.288 174.600 0.106 0.000 1.039 307 S CA 0.613 58.877 58.200 0.107 0.000 0.942 307 S CB -0.903 62.349 63.200 0.087 0.000 0.881 307 S HN 1.317 nan 8.310 nan 0.000 0.503 308 C N 2.317 121.698 119.300 0.136 0.000 2.430 308 C HA 0.287 4.751 4.460 0.006 0.000 0.288 308 C C 1.030 176.066 174.990 0.077 0.000 1.448 308 C CA -0.481 58.606 59.018 0.115 0.000 1.784 308 C CB -1.576 26.261 27.740 0.161 0.000 1.776 308 C HN 0.443 nan 8.230 nan 0.000 0.547 309 R N 0.303 120.853 120.500 0.083 0.000 2.740 309 R HA 0.530 4.873 4.340 0.006 0.000 0.282 309 R C -0.972 175.361 176.300 0.055 0.000 0.969 309 R CA -0.444 55.681 56.100 0.043 0.000 0.918 309 R CB 1.300 31.612 30.300 0.020 0.000 1.175 309 R HN 0.180 nan 8.270 nan 0.000 0.464 310 K N 1.569 121.994 120.400 0.041 0.000 2.478 310 K HA 0.156 4.480 4.320 0.006 0.000 0.236 310 K C -0.957 175.668 176.600 0.042 0.000 1.021 310 K CA 0.020 56.334 56.287 0.045 0.000 1.010 310 K CB 0.493 33.017 32.500 0.039 0.000 1.331 310 K HN 0.572 nan 8.250 nan 0.000 0.470 311 D N 1.975 122.405 120.400 0.049 0.000 4.276 311 D HA -0.043 4.601 4.640 0.006 0.000 0.222 311 D C -0.550 175.785 176.300 0.058 0.000 0.458 311 D CA 0.045 54.074 54.000 0.048 0.000 0.660 311 D CB 0.011 40.835 40.800 0.040 0.000 1.643 311 D HN 0.337 nan 8.370 nan 0.000 0.106 312 M N 1.166 120.807 119.600 0.068 0.000 2.240 312 M HA 0.268 4.752 4.480 0.006 0.000 0.333 312 M C 0.714 177.060 176.300 0.077 0.000 1.110 312 M CA -0.309 55.039 55.300 0.081 0.000 1.173 312 M CB 0.686 33.346 32.600 0.100 0.000 1.458 312 M HN -0.195 nan 8.290 nan 0.000 0.458 313 V N 3.554 123.514 119.914 0.077 0.000 2.521 313 V HA 0.153 4.277 4.120 0.006 0.000 0.286 313 V C 0.576 176.725 176.094 0.092 0.000 1.034 313 V CA 0.059 62.403 62.300 0.072 0.000 1.045 313 V CB 0.316 32.173 31.823 0.057 0.000 0.974 313 V HN 0.572 nan 8.190 nan 0.000 0.480 314 K N 5.477 125.936 120.400 0.097 0.000 2.482 314 K HA 0.603 4.927 4.320 0.006 0.000 0.251 314 K C -1.467 175.216 176.600 0.138 0.000 0.936 314 K CA -0.524 55.835 56.287 0.120 0.000 0.791 314 K CB 2.039 34.603 32.500 0.108 0.000 1.213 314 K HN 0.582 nan 8.250 nan 0.000 0.428 315 I N 1.657 122.336 120.570 0.182 0.000 2.466 315 I HA 0.135 4.308 4.170 0.006 0.000 0.289 315 I C 0.264 176.545 176.117 0.273 0.000 1.026 315 I CA -0.825 60.613 61.300 0.230 0.000 1.078 315 I CB 2.123 40.292 38.000 0.282 0.000 1.249 315 I HN 0.448 nan 8.210 nan 0.000 0.429 316 S N 6.041 121.900 115.700 0.264 0.000 2.488 316 S HA 0.167 4.640 4.470 0.006 0.000 0.278 316 S C 1.088 175.914 174.600 0.377 0.000 1.259 316 S CA -0.433 57.938 58.200 0.285 0.000 1.061 316 S CB 0.463 63.798 63.200 0.225 0.000 0.910 316 S HN 0.502 nan 8.310 nan 0.000 0.491 317 M N 3.396 123.227 119.600 0.384 0.000 2.558 317 M HA 0.022 4.506 4.480 0.006 0.000 0.255 317 M C 1.740 178.186 176.300 0.243 0.000 1.113 317 M CA 0.413 55.911 55.300 0.330 0.000 1.097 317 M CB -1.221 31.413 32.600 0.057 0.000 1.426 317 M HN 0.744 nan 8.290 nan 0.000 0.488 318 D N 0.431 121.056 120.400 0.376 0.000 2.133 318 D HA -0.171 4.473 4.640 0.006 0.000 0.192 318 D C 1.912 178.333 176.300 0.202 0.000 1.001 318 D CA 1.332 55.591 54.000 0.432 0.000 0.844 318 D CB 0.334 41.412 40.800 0.464 0.000 0.944 318 D HN 0.208 nan 8.370 nan 0.000 0.447 319 V N -0.210 119.744 119.914 0.066 0.000 2.626 319 V HA -0.197 3.927 4.120 0.006 0.000 0.252 319 V C 1.949 177.949 176.094 -0.157 0.000 1.067 319 V CA 1.352 63.575 62.300 -0.127 0.000 1.081 319 V CB -0.533 31.125 31.823 -0.275 0.000 0.686 319 V HN 0.131 nan 8.190 nan 0.000 0.468 320 F N -0.784 119.237 119.950 0.119 0.000 2.219 320 F HA 0.001 4.532 4.527 0.006 0.000 0.294 320 F C 2.268 178.146 175.800 0.130 0.000 1.086 320 F CA 1.597 59.721 58.000 0.207 0.000 1.330 320 F CB -0.517 38.554 39.000 0.119 0.000 1.047 320 F HN -0.011 nan 8.300 nan 0.000 0.495 321 V N 0.272 120.249 119.914 0.104 0.000 2.427 321 V HA -0.245 3.879 4.120 0.006 0.000 0.248 321 V C 2.459 178.594 176.094 0.067 0.000 1.051 321 V CA 1.803 64.088 62.300 -0.026 0.000 1.048 321 V CB -0.641 30.978 31.823 -0.339 0.000 0.666 321 V HN 0.249 nan 8.190 nan 0.000 0.456 322 R N 0.360 120.844 120.500 -0.027 0.000 2.075 322 R HA -0.182 4.162 4.340 0.006 0.000 0.232 322 R C 2.412 178.589 176.300 -0.205 0.000 1.126 322 R CA 1.941 57.861 56.100 -0.301 0.000 0.963 322 R CB -0.147 29.841 30.300 -0.520 0.000 0.858 322 R HN 0.479 nan 8.270 nan 0.000 0.435 323 K N -0.972 119.323 120.400 -0.176 0.000 2.137 323 K HA -0.047 4.276 4.320 0.006 0.000 0.202 323 K C 1.072 177.385 176.600 -0.479 0.000 1.052 323 K CA 1.088 57.157 56.287 -0.363 0.000 0.961 323 K CB 0.178 32.379 32.500 -0.498 0.000 0.741 323 K HN 0.127 nan 8.250 nan 0.000 0.452 324 F N 0.195 120.144 119.950 -0.002 0.000 2.720 324 F HA 0.240 4.770 4.527 0.006 0.000 0.301 324 F C 0.457 176.253 175.800 -0.006 0.000 1.103 324 F CA -0.208 57.799 58.000 0.012 0.000 1.291 324 F CB 0.791 39.822 39.000 0.051 0.000 1.086 324 F HN -0.122 nan 8.300 nan 0.000 0.592 325 Q N 1.227 121.103 119.800 0.126 0.000 2.506 325 Q HA 0.163 4.507 4.340 0.006 0.000 0.380 325 Q C -1.962 174.085 176.000 0.078 0.000 0.867 325 Q CA -1.400 54.449 55.803 0.077 0.000 1.093 325 Q CB 0.807 29.565 28.738 0.034 0.000 1.388 325 Q HN 0.069 nan 8.270 nan 0.000 0.400 326 P HA -0.226 nan 4.420 nan 0.000 0.216 326 P C 0.410 177.766 177.300 0.094 0.000 1.150 326 P CA 1.551 64.678 63.100 0.044 0.000 0.843 326 P CB 0.403 32.091 31.700 -0.019 0.000 0.787 327 E N 0.037 120.279 120.200 0.069 0.000 2.409 327 E HA -0.095 4.259 4.350 0.006 0.000 0.198 327 E C 1.674 178.328 176.600 0.089 0.000 1.024 327 E CA 0.858 57.298 56.400 0.067 0.000 0.861 327 E CB -0.648 29.077 29.700 0.042 0.000 0.788 327 E HN 0.350 nan 8.360 nan 0.000 0.521 328 R N -1.300 119.270 120.500 0.117 0.000 2.476 328 R HA 0.192 4.536 4.340 0.006 0.000 0.276 328 R C 1.016 177.445 176.300 0.215 0.000 0.941 328 R CA -0.185 55.992 56.100 0.128 0.000 1.088 328 R CB -0.108 30.241 30.300 0.083 0.000 1.216 328 R HN 0.082 nan 8.270 nan 0.000 0.533 329 Y N 2.427 122.800 120.300 0.122 0.000 2.081 329 Y HA -0.288 4.265 4.550 0.006 0.000 0.280 329 Y C 2.174 178.212 175.900 0.229 0.000 1.163 329 Y CA 1.814 60.039 58.100 0.208 0.000 1.135 329 Y CB 0.023 38.567 38.460 0.141 0.000 0.970 329 Y HN -0.139 nan 8.280 nan 0.000 0.498 330 K N -0.357 120.111 120.400 0.113 0.000 2.020 330 K HA -0.247 4.077 4.320 0.006 0.000 0.212 330 K C 2.137 178.709 176.600 -0.046 0.000 1.050 330 K CA 1.825 58.104 56.287 -0.014 0.000 0.929 330 K CB -0.603 31.934 32.500 0.061 0.000 0.714 330 K HN 0.378 nan 8.250 nan 0.000 0.443 331 L N 0.234 121.474 121.223 0.028 0.000 2.017 331 L HA -0.164 4.179 4.340 0.006 0.000 0.208 331 L C 2.066 178.952 176.870 0.027 0.000 1.073 331 L CA 1.882 56.737 54.840 0.024 0.000 0.745 331 L CB -0.678 41.413 42.059 0.055 0.000 0.894 331 L HN 0.442 nan 8.230 nan 0.000 0.432 332 W N 0.683 121.919 121.300 -0.107 0.000 2.355 332 W HA -0.244 4.420 4.660 0.006 0.000 0.309 332 W C 2.503 178.925 176.519 -0.161 0.000 1.206 332 W CA 1.923 59.201 57.345 -0.112 0.000 1.284 332 W CB -0.261 29.150 29.460 -0.082 0.000 1.145 332 W HN 0.016 nan 8.180 nan 0.000 0.502 333 K N 0.777 120.935 120.400 -0.403 0.000 2.280 333 K HA -0.035 4.289 4.320 0.006 0.000 0.202 333 K C 1.498 177.827 176.600 -0.453 0.000 1.047 333 K CA 1.427 57.320 56.287 -0.655 0.000 0.942 333 K CB -0.602 31.540 32.500 -0.596 0.000 0.739 333 K HN 0.113 nan 8.250 nan 0.000 0.457 334 A N -0.589 122.052 122.820 -0.298 0.000 2.577 334 A HA 0.407 4.731 4.320 0.006 0.000 0.280 334 A C 0.949 178.419 177.584 -0.190 0.000 1.331 334 A CA 0.185 52.099 52.037 -0.204 0.000 0.935 334 A CB -0.714 18.212 19.000 -0.125 0.000 1.082 334 A HN 0.304 nan 8.150 nan 0.000 0.525 335 G N 0.491 109.125 108.800 -0.277 0.000 2.402 335 G HA2 -0.321 3.643 3.960 0.006 0.000 0.300 335 G HA3 -0.321 3.643 3.960 0.006 0.000 0.300 335 G C 0.638 175.477 174.900 -0.103 0.000 0.987 335 G CA 1.188 46.164 45.100 -0.208 0.000 0.881 335 G HN 0.623 nan 8.290 nan 0.000 0.512 336 K N -0.466 119.892 120.400 -0.070 0.000 2.414 336 K HA 0.106 4.430 4.320 0.006 0.000 0.204 336 K C 0.029 176.633 176.600 0.007 0.000 1.026 336 K CA -0.377 55.892 56.287 -0.030 0.000 1.108 336 K CB 0.693 33.175 32.500 -0.030 0.000 0.855 336 K HN 0.225 nan 8.250 nan 0.000 0.517 337 D N 1.860 122.288 120.400 0.046 0.000 2.393 337 D HA 0.063 4.706 4.640 0.006 0.000 0.232 337 D C -0.439 175.890 176.300 0.048 0.000 1.192 337 D CA 0.008 54.059 54.000 0.085 0.000 0.882 337 D CB 0.395 41.325 40.800 0.216 0.000 1.038 337 D HN 0.023 nan 8.370 nan 0.000 0.499 338 N N 2.900 121.606 118.700 0.009 0.000 2.546 338 N HA 0.052 4.795 4.740 0.006 0.000 0.286 338 N C -0.306 175.182 175.510 -0.036 0.000 1.259 338 N CA -0.197 52.844 53.050 -0.015 0.000 0.939 338 N CB 0.759 39.234 38.487 -0.019 0.000 1.243 338 N HN 0.257 nan 8.380 nan 0.000 0.511 339 T N 0.557 115.084 114.554 -0.044 0.000 2.930 339 T HA 0.176 4.529 4.350 0.006 0.000 0.306 339 T C 0.706 175.337 174.700 -0.116 0.000 1.045 339 T CA 0.014 62.068 62.100 -0.078 0.000 1.134 339 T CB 1.585 70.398 68.868 -0.092 0.000 0.961 339 T HN -0.134 nan 8.240 nan 0.000 0.545 340 V N 4.293 124.128 119.914 -0.130 0.000 2.435 340 V HA 0.392 4.516 4.120 0.006 0.000 0.290 340 V C 0.367 176.319 176.094 -0.236 0.000 1.030 340 V CA -0.870 61.331 62.300 -0.166 0.000 0.881 340 V CB 1.366 33.113 31.823 -0.127 0.000 0.983 340 V HN 0.751 nan 8.190 nan 0.000 0.445 341 I N 3.805 124.165 120.570 -0.350 0.000 2.474 341 I HA 0.244 4.418 4.170 0.006 0.000 0.287 341 I C 0.012 175.817 176.117 -0.521 0.000 1.048 341 I CA 0.025 61.025 61.300 -0.501 0.000 1.383 341 I CB 0.956 38.474 38.000 -0.804 0.000 1.412 341 I HN 0.601 nan 8.210 nan 0.000 0.531 342 D N 5.990 126.164 120.400 -0.376 0.000 2.427 342 D HA 0.124 4.768 4.640 0.006 0.000 0.226 342 D C 0.885 177.081 176.300 -0.174 0.000 1.076 342 D CA -0.324 53.528 54.000 -0.247 0.000 0.849 342 D CB 0.685 41.417 40.800 -0.114 0.000 1.052 342 D HN 0.451 nan 8.370 nan 0.000 0.515 343 H N 1.961 121.059 119.070 0.046 0.000 2.521 343 H HA -0.064 4.496 4.556 0.006 0.000 0.286 343 H C 1.743 177.170 175.328 0.165 0.000 1.034 343 H CA 1.504 57.648 56.048 0.160 0.000 1.278 343 H CB 0.141 29.985 29.762 0.136 0.000 1.386 343 H HN 0.511 nan 8.280 nan 0.000 0.567 344 T N -1.814 112.846 114.554 0.177 0.000 3.044 344 T HA 0.052 4.406 4.350 0.006 0.000 0.255 344 T C 1.151 176.008 174.700 0.263 0.000 1.073 344 T CA -0.248 61.940 62.100 0.145 0.000 1.125 344 T CB -0.293 68.599 68.868 0.040 0.000 0.908 344 T HN 0.092 nan 8.240 nan 0.000 0.480 345 L N 3.057 124.363 121.223 0.140 0.000 2.499 345 L HA 0.244 4.587 4.340 0.006 0.000 0.273 345 L C -1.934 174.959 176.870 0.040 0.000 1.195 345 L CA -1.505 53.381 54.840 0.076 0.000 0.882 345 L CB 1.218 43.286 42.059 0.014 0.000 1.133 345 L HN 0.098 nan 8.230 nan 0.000 0.483 346 P HA 0.210 nan 4.420 nan 0.000 0.310 346 P C -0.942 176.307 177.300 -0.084 0.000 1.399 346 P CA -0.043 62.964 63.100 -0.154 0.000 0.849 346 P CB 0.543 32.180 31.700 -0.104 0.000 2.098 347 T N 0.623 115.139 114.554 -0.063 0.000 3.198 347 T HA 0.284 4.638 4.350 0.006 0.000 0.352 347 T C -2.094 172.594 174.700 -0.020 0.000 1.197 347 T CA -0.792 61.288 62.100 -0.033 0.000 1.427 347 T CB -0.301 68.549 68.868 -0.029 0.000 0.983 347 T HN 0.290 nan 8.240 nan 0.000 0.560 348 P HA 0.000 nan 4.420 nan 0.000 0.216 348 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 348 P CB 0.000 31.698 31.700 -0.004 0.000 0.726