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 2j9x_1_B DATA FIRST_RESID 2 DATA SEQUENCE TTLLNPYFGE FGGMYVPQIL MPALNQLEEA FVSAQKDPEF QAQFADLLKN DATA SEQUENCE YAGRPTALTK CQNITAGTRT TLYLKREDLL HGGAHKTNQV LGQALLAKRM DATA SEQUENCE GKSEIIAETG AGQHGVASAL ASALLGLKCR IYMGAKDVER QSPNVFRMRL DATA SEQUENCE MGAEVIPVHS GSATLKDACN EALRDWSGSY ETAHYMLGTA AGPHPYPTIV DATA SEQUENCE REFQRMIGEE TKAQILDKEG RLPDAVIACV GGGSNAIGMF ADFINDTSVG DATA SEQUENCE LIGVEPGGHG IETGEHGAPL KHGRVGIYFG MKAPMMQTAD GQIEESYSIS DATA SEQUENCE AGLDFPSVGP QHAYLNSIGR ADYVSITDDE ALEAFKTLCR HEGIIPALES DATA SEQUENCE SHALAHALKM MREQPEKEQL LVVNLSGRGD KDIFTVHDIL KARGE 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.687 174.700 -0.021 0.000 1.109 2 T CA 0.000 62.083 62.100 -0.029 0.000 1.349 2 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 3 T N -1.280 113.261 114.554 -0.021 0.000 2.843 3 T HA 0.660 5.010 4.350 -0.000 0.000 0.302 3 T C 0.679 175.378 174.700 -0.001 0.000 1.232 3 T CA -0.976 61.126 62.100 0.003 0.000 1.009 3 T CB 1.278 70.153 68.868 0.012 0.000 1.254 3 T HN 0.604 nan 8.240 nan 0.000 0.504 4 L N -0.124 121.116 121.223 0.029 0.000 2.240 4 L HA 0.342 4.682 4.340 -0.000 0.000 0.211 4 L C 0.372 177.251 176.870 0.016 0.000 1.106 4 L CA 0.695 55.545 54.840 0.018 0.000 0.793 4 L CB -0.230 41.844 42.059 0.025 0.000 0.927 4 L HN 0.425 nan 8.230 nan 0.000 0.446 5 L N -0.998 120.251 121.223 0.044 0.000 2.323 5 L HA 0.338 4.678 4.340 -0.000 0.000 0.265 5 L C -0.152 176.590 176.870 -0.214 0.000 1.012 5 L CA -0.904 53.931 54.840 -0.009 0.000 0.820 5 L CB 1.394 43.536 42.059 0.138 0.000 1.334 5 L HN -0.106 nan 8.230 nan 0.000 0.427 6 N N 2.063 120.614 118.700 -0.247 0.000 2.438 6 N HA 0.087 4.827 4.740 -0.000 0.000 0.267 6 N C -1.987 173.152 175.510 -0.618 0.000 1.222 6 N CA -1.197 51.649 53.050 -0.339 0.000 0.930 6 N CB 1.246 39.565 38.487 -0.279 0.000 1.083 6 N HN 0.290 nan 8.380 nan 0.000 0.476 7 P HA 0.067 nan 4.420 nan 0.000 0.241 7 P C -0.749 176.162 177.300 -0.648 0.000 1.191 7 P CA 0.823 63.392 63.100 -0.886 0.000 0.771 7 P CB 0.078 31.393 31.700 -0.642 0.000 0.929 8 Y N -1.445 118.590 120.300 -0.441 0.000 2.549 8 Y HA 0.522 5.072 4.550 -0.001 0.000 0.339 8 Y C -0.028 175.516 175.900 -0.592 0.000 1.053 8 Y CA -0.954 56.951 58.100 -0.325 0.000 1.105 8 Y CB 1.266 39.616 38.460 -0.183 0.000 1.258 8 Y HN -0.317 nan 8.280 nan 0.000 0.478 9 F N 1.742 121.723 119.950 0.052 0.000 2.552 9 F HA 0.519 5.046 4.527 -0.000 0.000 0.369 9 F C 0.773 176.443 175.800 -0.217 0.000 1.112 9 F CA -0.383 57.472 58.000 -0.242 0.000 1.129 9 F CB 0.950 39.919 39.000 -0.052 0.000 1.360 9 F HN 0.768 nan 8.300 nan 0.000 0.473 10 G N 2.836 111.476 108.800 -0.267 0.000 2.561 10 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.289 10 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.289 10 G C 1.131 176.021 174.900 -0.016 0.000 1.169 10 G CA 0.540 45.636 45.100 -0.007 0.000 0.980 10 G HN 0.674 nan 8.290 nan 0.000 0.550 11 E N 0.114 120.210 120.200 -0.173 0.000 2.442 11 E HA 0.311 4.660 4.350 -0.000 0.000 0.195 11 E C 0.313 176.824 176.600 -0.149 0.000 1.030 11 E CA 0.061 56.267 56.400 -0.324 0.000 0.869 11 E CB 0.053 29.429 29.700 -0.541 0.000 0.857 11 E HN 0.363 nan 8.360 nan 0.000 0.505 12 F N 1.081 121.267 119.950 0.393 0.000 2.385 12 F HA 0.603 5.130 4.527 -0.000 0.000 0.336 12 F C 1.237 177.251 175.800 0.358 0.000 1.100 12 F CA 0.363 58.586 58.000 0.371 0.000 1.116 12 F CB 1.735 40.908 39.000 0.287 0.000 1.166 12 F HN 0.150 nan 8.300 nan 0.000 0.511 13 G N 0.391 109.404 108.800 0.354 0.000 2.317 13 G HA2 0.465 4.425 3.960 -0.000 0.000 0.196 13 G HA3 0.465 4.425 3.960 -0.000 0.000 0.196 13 G C -0.183 174.522 174.900 -0.325 0.000 1.255 13 G CA -0.019 45.086 45.100 0.008 0.000 1.243 13 G HN 1.853 nan 8.290 nan 0.000 0.535 14 G N -1.353 106.916 108.800 -0.885 0.000 2.660 14 G HA2 0.342 4.302 3.960 -0.000 0.000 0.247 14 G HA3 0.342 4.302 3.960 -0.000 0.000 0.247 14 G C -0.123 174.618 174.900 -0.264 0.000 1.328 14 G CA 0.455 45.104 45.100 -0.752 0.000 0.884 14 G HN 1.612 nan 8.290 nan 0.000 0.531 15 M N 0.239 119.638 119.600 -0.336 0.000 2.693 15 M HA 0.325 4.805 4.480 -0.000 0.000 0.224 15 M C -1.031 175.128 176.300 -0.235 0.000 1.149 15 M CA -0.113 55.084 55.300 -0.173 0.000 0.622 15 M CB 1.199 33.730 32.600 -0.115 0.000 1.443 15 M HN 0.409 nan 8.290 nan 0.000 0.431 16 Y N 1.759 122.060 120.300 0.002 0.000 2.623 16 Y HA 0.363 4.913 4.550 -0.000 0.000 0.341 16 Y C 0.428 176.331 175.900 0.006 0.000 1.292 16 Y CA -0.650 57.462 58.100 0.021 0.000 1.840 16 Y CB -0.161 38.329 38.460 0.049 0.000 1.865 16 Y HN 0.322 nan 8.280 nan 0.000 0.440 17 V N -1.014 118.935 119.914 0.058 0.000 3.074 17 V HA 0.745 4.865 4.120 -0.000 0.000 0.314 17 V C -2.651 173.444 176.094 0.001 0.000 1.117 17 V CA -3.356 58.963 62.300 0.031 0.000 1.014 17 V CB 1.649 33.470 31.823 -0.003 0.000 1.057 17 V HN 0.100 nan 8.190 nan 0.000 0.438 18 P HA 0.195 nan 4.420 nan 0.000 0.267 18 P C 0.445 177.701 177.300 -0.074 0.000 1.200 18 P CA 0.059 63.143 63.100 -0.027 0.000 0.772 18 P CB 0.613 32.297 31.700 -0.028 0.000 0.855 19 Q N 2.396 122.158 119.800 -0.063 0.000 2.173 19 Q HA -0.221 4.119 4.340 -0.000 0.000 0.208 19 Q C 1.604 177.521 176.000 -0.138 0.000 0.989 19 Q CA 1.671 57.423 55.803 -0.084 0.000 0.872 19 Q CB -1.012 27.691 28.738 -0.057 0.000 0.909 19 Q HN 0.489 nan 8.270 nan 0.000 0.420 20 I N -0.657 119.824 120.570 -0.149 0.000 2.423 20 I HA -0.212 3.957 4.170 -0.000 0.000 0.254 20 I C 1.402 177.233 176.117 -0.477 0.000 1.151 20 I CA 1.318 62.480 61.300 -0.230 0.000 1.421 20 I CB 0.033 37.942 38.000 -0.152 0.000 1.079 20 I HN 0.291 nan 8.210 nan 0.000 0.431 21 L N -0.776 120.187 121.223 -0.433 0.000 2.567 21 L HA 0.036 4.376 4.340 -0.000 0.000 0.225 21 L C 2.071 178.690 176.870 -0.418 0.000 1.119 21 L CA -0.161 54.323 54.840 -0.594 0.000 0.871 21 L CB -0.268 41.516 42.059 -0.458 0.000 1.036 21 L HN 0.193 nan 8.230 nan 0.000 0.459 22 M N 0.079 119.516 119.600 -0.271 0.000 2.149 22 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 22 M C -0.257 175.942 176.300 -0.170 0.000 1.064 22 M CA 1.901 57.096 55.300 -0.174 0.000 1.102 22 M CB -1.992 30.533 32.600 -0.125 0.000 1.369 22 M HN 0.018 nan 8.290 nan 0.000 0.408 23 P HA -0.056 nan 4.420 nan 0.000 0.217 23 P C 1.331 178.556 177.300 -0.124 0.000 1.150 23 P CA 1.857 64.872 63.100 -0.141 0.000 0.832 23 P CB -0.144 31.477 31.700 -0.131 0.000 0.787 24 A N -0.851 121.820 122.820 -0.247 0.000 1.902 24 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 24 A C 2.040 179.650 177.584 0.042 0.000 1.181 24 A CA 1.391 53.350 52.037 -0.130 0.000 0.623 24 A CB -1.594 17.088 19.000 -0.529 0.000 0.818 24 A HN 0.063 nan 8.150 nan 0.000 0.443 25 L N 0.382 121.593 121.223 -0.020 0.000 2.046 25 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 25 L C 2.013 178.860 176.870 -0.040 0.000 1.077 25 L CA 1.998 56.851 54.840 0.022 0.000 0.747 25 L CB -1.442 40.611 42.059 -0.009 0.000 0.896 25 L HN 0.491 nan 8.230 nan 0.000 0.432 26 N N -1.356 117.320 118.700 -0.040 0.000 2.120 26 N HA -0.242 4.498 4.740 -0.000 0.000 0.188 26 N C 1.768 177.268 175.510 -0.017 0.000 1.024 26 N CA 0.976 54.008 53.050 -0.030 0.000 0.852 26 N CB -0.082 38.386 38.487 -0.031 0.000 1.003 26 N HN 0.449 nan 8.380 nan 0.000 0.424 27 Q N 0.785 120.586 119.800 0.003 0.000 2.084 27 Q HA -0.159 4.180 4.340 -0.000 0.000 0.202 27 Q C 2.121 178.133 176.000 0.019 0.000 0.978 27 Q CA 1.057 56.874 55.803 0.024 0.000 0.844 27 Q CB -0.046 28.729 28.738 0.062 0.000 0.898 27 Q HN 0.307 nan 8.270 nan 0.000 0.426 28 L N 1.301 122.541 121.223 0.028 0.000 2.046 28 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 28 L C 2.247 179.069 176.870 -0.080 0.000 1.077 28 L CA 2.237 57.064 54.840 -0.022 0.000 0.747 28 L CB -0.616 41.412 42.059 -0.052 0.000 0.896 28 L HN 0.350 nan 8.230 nan 0.000 0.432 29 E N -0.528 119.606 120.200 -0.110 0.000 2.051 29 E HA -0.265 4.084 4.350 -0.000 0.000 0.192 29 E C 2.072 178.679 176.600 0.011 0.000 0.991 29 E CA 1.583 57.932 56.400 -0.085 0.000 0.799 29 E CB -0.000 29.639 29.700 -0.102 0.000 0.748 29 E HN 0.686 nan 8.360 nan 0.000 0.449 30 E N 0.713 120.907 120.200 -0.010 0.000 2.077 30 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 30 E C 1.934 178.511 176.600 -0.038 0.000 0.989 30 E CA 1.507 57.897 56.400 -0.018 0.000 0.800 30 E CB -0.888 28.802 29.700 -0.016 0.000 0.746 30 E HN 0.484 nan 8.360 nan 0.000 0.452 31 A N -0.387 122.415 122.820 -0.031 0.000 1.933 31 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 31 A C 2.203 179.726 177.584 -0.102 0.000 1.175 31 A CA 1.614 53.614 52.037 -0.061 0.000 0.628 31 A CB -0.549 18.427 19.000 -0.041 0.000 0.814 31 A HN 0.623 nan 8.150 nan 0.000 0.444 32 F N 0.786 120.612 119.950 -0.207 0.000 2.113 32 F HA -0.124 4.403 4.527 -0.001 0.000 0.297 32 F C 2.189 177.859 175.800 -0.217 0.000 1.103 32 F CA 1.866 59.718 58.000 -0.248 0.000 1.248 32 F CB -0.494 38.339 39.000 -0.277 0.000 0.999 32 F HN 0.015 nan 8.300 nan 0.000 0.475 33 V N -0.373 119.365 119.914 -0.293 0.000 2.287 33 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 33 V C 2.715 178.617 176.094 -0.320 0.000 1.053 33 V CA 2.090 64.183 62.300 -0.345 0.000 1.027 33 V CB -1.187 30.564 31.823 -0.119 0.000 0.646 33 V HN 0.541 nan 8.190 nan 0.000 0.447 34 S N -0.095 115.464 115.700 -0.236 0.000 2.356 34 S HA -0.177 4.293 4.470 -0.000 0.000 0.223 34 S C 2.143 176.581 174.600 -0.269 0.000 1.032 34 S CA 1.619 59.703 58.200 -0.194 0.000 1.005 34 S CB -0.383 62.736 63.200 -0.135 0.000 0.867 34 S HN 0.610 nan 8.310 nan 0.000 0.449 35 A N 1.064 123.626 122.820 -0.431 0.000 1.972 35 A HA -0.092 4.227 4.320 -0.000 0.000 0.219 35 A C 2.179 179.443 177.584 -0.535 0.000 1.169 35 A CA 1.438 53.039 52.037 -0.726 0.000 0.635 35 A CB -0.624 17.497 19.000 -1.464 0.000 0.810 35 A HN 0.586 nan 8.150 nan 0.000 0.446 36 Q N -0.761 118.741 119.800 -0.496 0.000 2.291 36 Q HA -0.062 4.277 4.340 -0.000 0.000 0.205 36 Q C 1.115 177.027 176.000 -0.146 0.000 0.970 36 Q CA 1.209 56.821 55.803 -0.319 0.000 0.876 36 Q CB -0.094 28.338 28.738 -0.511 0.000 0.935 36 Q HN 0.492 nan 8.270 nan 0.000 0.455 37 K N 0.559 120.871 120.400 -0.147 0.000 2.358 37 K HA 0.045 4.365 4.320 -0.000 0.000 0.197 37 K C -0.504 176.078 176.600 -0.030 0.000 1.025 37 K CA -0.002 56.242 56.287 -0.073 0.000 1.104 37 K CB 0.459 32.911 32.500 -0.080 0.000 0.855 37 K HN -0.038 nan 8.250 nan 0.000 0.531 38 D N 0.129 120.519 120.400 -0.017 0.000 2.396 38 D HA 0.154 4.794 4.640 -0.000 0.000 0.225 38 D C -2.005 174.360 176.300 0.108 0.000 1.121 38 D CA -2.480 51.546 54.000 0.043 0.000 0.853 38 D CB 1.616 42.449 40.800 0.055 0.000 1.043 38 D HN -0.143 nan 8.370 nan 0.000 0.500 39 P HA -0.151 nan 4.420 nan 0.000 0.216 39 P C 1.173 178.526 177.300 0.088 0.000 1.153 39 P CA 1.983 65.128 63.100 0.074 0.000 0.858 39 P CB 0.291 32.017 31.700 0.044 0.000 0.789 40 E N -0.907 119.345 120.200 0.086 0.000 2.110 40 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 40 E C 1.759 178.411 176.600 0.087 0.000 0.988 40 E CA 1.241 57.682 56.400 0.069 0.000 0.804 40 E CB -1.847 27.889 29.700 0.059 0.000 0.745 40 E HN 0.285 nan 8.360 nan 0.000 0.458 41 F N 1.231 121.187 119.950 0.010 0.000 2.146 41 F HA -0.134 4.392 4.527 -0.000 0.000 0.298 41 F C 2.466 178.300 175.800 0.058 0.000 1.096 41 F CA 1.968 59.975 58.000 0.012 0.000 1.275 41 F CB 0.134 39.131 39.000 -0.006 0.000 1.008 41 F HN 0.083 nan 8.300 nan 0.000 0.480 42 Q N 0.621 120.602 119.800 0.302 0.000 2.124 42 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 42 Q C 2.514 178.565 176.000 0.085 0.000 0.977 42 Q CA 1.490 57.441 55.803 0.247 0.000 0.850 42 Q CB -1.188 27.679 28.738 0.215 0.000 0.901 42 Q HN 0.544 nan 8.270 nan 0.000 0.429 43 A N 0.981 123.825 122.820 0.040 0.000 1.902 43 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 43 A C 2.111 179.671 177.584 -0.040 0.000 1.181 43 A CA 1.448 53.484 52.037 -0.002 0.000 0.623 43 A CB -0.489 18.512 19.000 0.002 0.000 0.818 43 A HN 0.374 nan 8.150 nan 0.000 0.443 44 Q N -1.967 117.782 119.800 -0.085 0.000 2.119 44 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 44 Q C 1.919 177.854 176.000 -0.108 0.000 0.972 44 Q CA 1.332 57.057 55.803 -0.129 0.000 0.847 44 Q CB -0.238 28.373 28.738 -0.210 0.000 0.903 44 Q HN 0.707 nan 8.270 nan 0.000 0.433 45 F N 1.085 120.806 119.950 -0.381 0.000 2.113 45 F HA -0.084 4.442 4.527 -0.000 0.000 0.297 45 F C 2.124 177.815 175.800 -0.180 0.000 1.103 45 F CA 1.167 58.952 58.000 -0.358 0.000 1.248 45 F CB -0.862 37.885 39.000 -0.422 0.000 0.999 45 F HN -0.006 nan 8.300 nan 0.000 0.475 46 A N -0.032 122.702 122.820 -0.144 0.000 1.883 46 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 46 A C 2.056 179.569 177.584 -0.119 0.000 1.186 46 A CA 2.120 54.036 52.037 -0.202 0.000 0.624 46 A CB -1.313 17.619 19.000 -0.113 0.000 0.822 46 A HN 0.454 nan 8.150 nan 0.000 0.444 47 D N -0.166 120.193 120.400 -0.067 0.000 2.123 47 D HA -0.135 4.504 4.640 -0.000 0.000 0.196 47 D C 1.833 178.125 176.300 -0.012 0.000 0.992 47 D CA 1.398 55.375 54.000 -0.039 0.000 0.833 47 D CB -0.254 40.523 40.800 -0.037 0.000 0.954 47 D HN 0.439 nan 8.370 nan 0.000 0.455 48 L N -0.264 120.956 121.223 -0.005 0.000 2.056 48 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 48 L C 2.706 179.642 176.870 0.109 0.000 1.078 48 L CA 0.546 55.422 54.840 0.060 0.000 0.749 48 L CB -0.370 41.715 42.059 0.044 0.000 0.901 48 L HN 0.141 nan 8.230 nan 0.000 0.433 49 L N -0.164 121.056 121.223 -0.005 0.000 2.012 49 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 49 L C 2.711 179.570 176.870 -0.019 0.000 1.073 49 L CA 1.539 56.351 54.840 -0.046 0.000 0.748 49 L CB -0.516 41.394 42.059 -0.249 0.000 0.891 49 L HN 0.281 nan 8.230 nan 0.000 0.431 50 K N 0.186 120.564 120.400 -0.036 0.000 1.975 50 K HA -0.119 4.201 4.320 -0.000 0.000 0.210 50 K C 1.830 178.427 176.600 -0.005 0.000 1.041 50 K CA 1.479 57.750 56.287 -0.026 0.000 0.942 50 K CB -0.015 32.463 32.500 -0.036 0.000 0.729 50 K HN 0.245 nan 8.250 nan 0.000 0.439 51 N N -0.484 118.224 118.700 0.014 0.000 2.457 51 N HA -0.127 4.613 4.740 -0.000 0.000 0.180 51 N C 1.346 176.891 175.510 0.058 0.000 1.050 51 N CA 0.848 53.912 53.050 0.023 0.000 0.906 51 N CB 0.085 38.586 38.487 0.023 0.000 0.968 51 N HN 0.330 nan 8.380 nan 0.000 0.445 52 Y N 0.534 120.798 120.300 -0.060 0.000 2.506 52 Y HA 0.391 4.941 4.550 -0.000 0.000 0.287 52 Y C 2.143 177.991 175.900 -0.086 0.000 1.147 52 Y CA 0.570 58.620 58.100 -0.084 0.000 1.241 52 Y CB -0.245 38.189 38.460 -0.044 0.000 1.279 52 Y HN -0.050 nan 8.280 nan 0.000 0.527 53 A N -0.451 122.356 122.820 -0.021 0.000 2.021 53 A HA 0.347 4.667 4.320 -0.000 0.000 0.216 53 A C 1.832 179.394 177.584 -0.036 0.000 1.163 53 A CA 1.153 53.175 52.037 -0.025 0.000 0.676 53 A CB -1.037 18.021 19.000 0.097 0.000 0.818 53 A HN 1.021 nan 8.150 nan 0.000 0.453 54 G N -1.102 107.674 108.800 -0.041 0.000 2.144 54 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 54 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 54 G C 0.234 175.125 174.900 -0.014 0.000 0.988 54 G CA 0.048 45.128 45.100 -0.034 0.000 0.659 54 G HN 0.556 nan 8.290 nan 0.000 0.522 55 R N 0.985 121.478 120.500 -0.012 0.000 2.641 55 R HA 0.381 4.721 4.340 -0.000 0.000 0.269 55 R C -1.976 174.313 176.300 -0.019 0.000 1.074 55 R CA -0.812 55.280 56.100 -0.013 0.000 1.133 55 R CB 0.400 30.682 30.300 -0.030 0.000 1.029 55 R HN 0.244 nan 8.270 nan 0.000 0.488 56 P HA 0.036 nan 4.420 nan 0.000 0.277 56 P C -0.468 176.837 177.300 0.009 0.000 1.240 56 P CA -0.331 62.766 63.100 -0.004 0.000 0.798 56 P CB 0.942 32.640 31.700 -0.004 0.000 0.979 57 T N -1.047 113.519 114.554 0.021 0.000 2.913 57 T HA 0.571 4.921 4.350 -0.000 0.000 0.287 57 T C 0.501 175.222 174.700 0.035 0.000 1.008 57 T CA -0.752 61.365 62.100 0.030 0.000 1.067 57 T CB 0.629 69.522 68.868 0.042 0.000 0.996 57 T HN 0.531 nan 8.240 nan 0.000 0.513 58 A N 1.732 124.574 122.820 0.037 0.000 2.346 58 A HA 0.572 4.892 4.320 -0.000 0.000 0.252 58 A C -0.193 177.431 177.584 0.067 0.000 1.089 58 A CA -0.697 51.367 52.037 0.046 0.000 0.797 58 A CB -0.045 18.980 19.000 0.041 0.000 1.047 58 A HN 0.908 nan 8.150 nan 0.000 0.494 59 L N 1.310 122.586 121.223 0.089 0.000 2.353 59 L HA 0.456 4.796 4.340 -0.000 0.000 0.270 59 L C -0.237 176.759 176.870 0.210 0.000 1.003 59 L CA 0.294 55.218 54.840 0.140 0.000 0.862 59 L CB 1.347 43.467 42.059 0.101 0.000 1.221 59 L HN 0.631 nan 8.230 nan 0.000 0.430 60 T N 4.100 118.757 114.554 0.170 0.000 2.767 60 T HA 0.286 4.636 4.350 -0.000 0.000 0.288 60 T C -0.177 174.530 174.700 0.011 0.000 0.963 60 T CA -0.429 61.730 62.100 0.099 0.000 1.019 60 T CB 0.977 69.865 68.868 0.034 0.000 0.923 60 T HN 0.434 nan 8.240 nan 0.000 0.468 61 K N 2.013 122.318 120.400 -0.158 0.000 2.234 61 K HA 0.327 4.647 4.320 -0.000 0.000 0.282 61 K C -0.868 175.558 176.600 -0.290 0.000 1.039 61 K CA -0.616 55.331 56.287 -0.566 0.000 0.928 61 K CB 0.361 32.477 32.500 -0.641 0.000 1.039 61 K HN 0.628 nan 8.250 nan 0.000 0.470 62 C N 4.741 123.876 119.300 -0.275 0.000 2.168 62 C HA 0.245 4.705 4.460 -0.000 0.000 0.333 62 C C 1.485 176.390 174.990 -0.143 0.000 1.106 62 C CA -0.509 58.418 59.018 -0.151 0.000 1.574 62 C CB -0.018 27.659 27.740 -0.105 0.000 2.055 62 C HN 1.034 nan 8.230 nan 0.000 0.473 63 Q N 2.264 121.996 119.800 -0.113 0.000 2.163 63 Q HA -0.098 4.242 4.340 -0.000 0.000 0.198 63 Q C 1.615 177.576 176.000 -0.064 0.000 0.954 63 Q CA 1.736 57.485 55.803 -0.090 0.000 0.851 63 Q CB -0.726 27.968 28.738 -0.072 0.000 0.928 63 Q HN 0.886 nan 8.270 nan 0.000 0.459 64 N N 0.593 119.266 118.700 -0.045 0.000 2.080 64 N HA -0.049 4.690 4.740 -0.000 0.000 0.189 64 N C 1.957 177.427 175.510 -0.066 0.000 1.036 64 N CA 1.584 54.616 53.050 -0.029 0.000 0.846 64 N CB -0.257 38.246 38.487 0.027 0.000 1.015 64 N HN 0.725 nan 8.380 nan 0.000 0.423 65 I N -0.859 119.673 120.570 -0.065 0.000 3.001 65 I HA -0.015 4.155 4.170 -0.000 0.000 0.268 65 I C 1.214 177.276 176.117 -0.093 0.000 1.267 65 I CA 0.943 62.185 61.300 -0.096 0.000 1.472 65 I CB -0.475 37.488 38.000 -0.062 0.000 1.089 65 I HN 0.073 nan 8.210 nan 0.000 0.468 66 T N -1.350 113.156 114.554 -0.081 0.000 3.092 66 T HA 0.550 4.899 4.350 -0.000 0.000 0.258 66 T C 0.878 175.538 174.700 -0.066 0.000 1.031 66 T CA 0.036 62.093 62.100 -0.072 0.000 0.925 66 T CB -0.156 68.670 68.868 -0.071 0.000 1.036 66 T HN 0.342 nan 8.240 nan 0.000 0.544 67 A N 0.922 123.700 122.820 -0.070 0.000 2.546 67 A HA 0.512 4.831 4.320 -0.000 0.000 0.243 67 A C 1.696 179.248 177.584 -0.054 0.000 1.063 67 A CA 0.383 52.385 52.037 -0.058 0.000 0.757 67 A CB -1.092 17.873 19.000 -0.058 0.000 0.991 67 A HN 1.541 nan 8.150 nan 0.000 0.503 68 G N 1.585 110.359 108.800 -0.042 0.000 2.143 68 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.248 68 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.248 68 G C 0.443 175.321 174.900 -0.036 0.000 0.991 68 G CA 1.232 46.309 45.100 -0.037 0.000 0.689 68 G HN 2.391 nan 8.290 nan 0.000 0.522 69 T N -4.001 110.531 114.554 -0.038 0.000 2.831 69 T HA 0.747 5.097 4.350 -0.000 0.000 0.287 69 T C 0.570 175.252 174.700 -0.030 0.000 1.070 69 T CA -0.776 61.302 62.100 -0.036 0.000 1.010 69 T CB 1.681 70.524 68.868 -0.042 0.000 1.264 69 T HN 0.024 nan 8.240 nan 0.000 0.532 70 R N 0.327 120.811 120.500 -0.027 0.000 2.552 70 R HA 0.252 4.592 4.340 -0.000 0.000 0.314 70 R C -0.231 176.057 176.300 -0.020 0.000 1.041 70 R CA -0.215 55.873 56.100 -0.021 0.000 1.076 70 R CB 0.176 30.466 30.300 -0.017 0.000 1.290 70 R HN 0.622 nan 8.270 nan 0.000 0.563 71 T N 1.517 116.055 114.554 -0.027 0.000 2.744 71 T HA 0.221 4.571 4.350 -0.000 0.000 0.291 71 T C 0.110 174.794 174.700 -0.026 0.000 0.957 71 T CA 0.227 62.311 62.100 -0.026 0.000 1.002 71 T CB 1.839 70.685 68.868 -0.037 0.000 0.919 71 T HN -0.086 nan 8.240 nan 0.000 0.468 72 T N 4.376 118.927 114.554 -0.006 0.000 2.758 72 T HA 0.539 4.888 4.350 -0.000 0.000 0.285 72 T C -0.692 174.010 174.700 0.004 0.000 0.981 72 T CA -0.548 61.545 62.100 -0.011 0.000 0.965 72 T CB 0.672 69.568 68.868 0.047 0.000 0.927 72 T HN 0.327 nan 8.240 nan 0.000 0.448 73 L N 4.654 125.829 121.223 -0.079 0.000 2.356 73 L HA 0.640 4.979 4.340 -0.000 0.000 0.277 73 L C -1.738 175.052 176.870 -0.133 0.000 0.996 73 L CA -0.632 54.184 54.840 -0.040 0.000 0.822 73 L CB 0.904 42.937 42.059 -0.044 0.000 1.256 73 L HN 0.577 nan 8.230 nan 0.000 0.413 74 Y N 4.598 124.896 120.300 -0.004 0.000 2.487 74 Y HA 0.677 5.227 4.550 -0.000 0.000 0.337 74 Y C -0.562 175.344 175.900 0.009 0.000 1.076 74 Y CA -0.624 57.478 58.100 0.005 0.000 1.115 74 Y CB 2.003 40.469 38.460 0.011 0.000 1.235 74 Y HN 0.399 nan 8.280 nan 0.000 0.468 75 L N 3.285 124.605 121.223 0.162 0.000 2.349 75 L HA 0.440 4.779 4.340 -0.000 0.000 0.278 75 L C -0.649 176.287 176.870 0.111 0.000 0.996 75 L CA -1.233 53.668 54.840 0.103 0.000 0.825 75 L CB 1.536 43.626 42.059 0.050 0.000 1.243 75 L HN 0.368 nan 8.230 nan 0.000 0.412 76 K N 3.633 124.092 120.400 0.098 0.000 2.349 76 K HA 0.138 4.458 4.320 -0.000 0.000 0.289 76 K C 0.170 176.812 176.600 0.070 0.000 1.064 76 K CA -0.119 56.221 56.287 0.089 0.000 0.947 76 K CB 0.404 32.959 32.500 0.090 0.000 1.007 76 K HN 0.270 nan 8.250 nan 0.000 0.478 77 R N 4.209 124.748 120.500 0.065 0.000 4.860 77 R HA 0.018 4.357 4.340 -0.000 0.000 0.191 77 R C -0.070 176.263 176.300 0.055 0.000 1.936 77 R CA -0.037 56.094 56.100 0.051 0.000 1.609 77 R CB -0.148 30.177 30.300 0.042 0.000 1.392 77 R HN 0.615 nan 8.270 nan 0.000 0.844 78 E N 0.983 121.224 120.200 0.068 0.000 2.409 78 E HA -0.142 4.208 4.350 -0.000 0.000 0.198 78 E C 1.059 177.706 176.600 0.078 0.000 1.024 78 E CA 0.698 57.151 56.400 0.088 0.000 0.861 78 E CB 0.152 29.930 29.700 0.130 0.000 0.788 78 E HN 0.528 nan 8.360 nan 0.000 0.521 79 D N 0.079 120.514 120.400 0.059 0.000 2.310 79 D HA -0.153 4.487 4.640 -0.000 0.000 0.212 79 D C 1.633 177.951 176.300 0.029 0.000 0.965 79 D CA 0.405 54.431 54.000 0.043 0.000 0.879 79 D CB -0.196 40.620 40.800 0.027 0.000 0.921 79 D HN 0.261 nan 8.370 nan 0.000 0.510 80 L N -0.238 121.003 121.223 0.031 0.000 2.567 80 L HA 0.164 4.504 4.340 -0.000 0.000 0.225 80 L C 0.831 177.718 176.870 0.028 0.000 1.119 80 L CA -0.492 54.362 54.840 0.023 0.000 0.871 80 L CB 0.003 42.073 42.059 0.020 0.000 1.036 80 L HN 0.004 nan 8.230 nan 0.000 0.459 81 L N 0.252 121.497 121.223 0.037 0.000 2.461 81 L HA 0.057 4.396 4.340 -0.000 0.000 0.272 81 L C 0.574 177.471 176.870 0.046 0.000 1.197 81 L CA 0.041 54.907 54.840 0.044 0.000 0.836 81 L CB 0.160 42.251 42.059 0.053 0.000 1.105 81 L HN 0.061 nan 8.230 nan 0.000 0.477 82 H N 3.418 122.443 119.070 -0.075 0.000 3.094 82 H HA 0.350 4.906 4.556 -0.000 0.000 0.320 82 H C 1.063 176.348 175.328 -0.072 0.000 1.000 82 H CA 0.889 56.864 56.048 -0.122 0.000 1.413 82 H CB 0.317 29.918 29.762 -0.268 0.000 1.405 82 H HN 0.761 nan 8.280 nan 0.000 0.586 83 G N 2.516 111.055 108.800 -0.435 0.000 2.308 83 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.221 83 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.221 83 G C 1.195 176.013 174.900 -0.137 0.000 1.032 83 G CA 0.581 45.470 45.100 -0.353 0.000 0.623 83 G HN 1.851 nan 8.290 nan 0.000 0.506 84 G N -0.802 107.956 108.800 -0.069 0.000 2.179 84 G HA2 0.434 4.394 3.960 -0.000 0.000 0.220 84 G HA3 0.434 4.394 3.960 -0.000 0.000 0.220 84 G C 0.520 175.428 174.900 0.013 0.000 0.990 84 G CA 1.041 46.131 45.100 -0.017 0.000 0.646 84 G HN 2.560 nan 8.290 nan 0.000 0.517 85 A N -0.806 122.018 122.820 0.007 0.000 2.610 85 A HA 0.709 5.029 4.320 -0.000 0.000 0.291 85 A C 0.844 178.444 177.584 0.025 0.000 1.086 85 A CA 0.570 52.638 52.037 0.052 0.000 0.677 85 A CB 0.050 19.069 19.000 0.031 0.000 1.278 85 A HN 1.197 nan 8.150 nan 0.000 0.414 86 H N 0.803 119.899 119.070 0.043 0.000 2.489 86 H HA -0.098 4.458 4.556 -0.000 0.000 0.295 86 H C 0.857 176.233 175.328 0.080 0.000 1.082 86 H CA 1.630 57.712 56.048 0.058 0.000 1.295 86 H CB -0.133 29.659 29.762 0.051 0.000 1.380 86 H HN 0.563 nan 8.280 nan 0.000 0.548 87 K N 0.710 120.647 120.400 -0.772 0.000 2.127 87 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 87 K C 2.093 178.650 176.600 -0.071 0.000 1.047 87 K CA 1.613 57.645 56.287 -0.425 0.000 0.927 87 K CB -0.783 31.578 32.500 -0.232 0.000 0.716 87 K HN 0.428 nan 8.250 nan 0.000 0.450 88 T N 1.972 116.503 114.554 -0.039 0.000 2.849 88 T HA -0.105 4.244 4.350 -0.000 0.000 0.270 88 T C 1.554 176.328 174.700 0.124 0.000 1.066 88 T CA 1.101 63.229 62.100 0.046 0.000 1.130 88 T CB -0.158 68.733 68.868 0.038 0.000 0.864 88 T HN 0.240 nan 8.240 nan 0.000 0.481 89 N N 2.068 120.847 118.700 0.132 0.000 2.006 89 N HA -0.159 4.581 4.740 -0.000 0.000 0.196 89 N C 2.071 177.772 175.510 0.319 0.000 1.057 89 N CA 1.855 55.028 53.050 0.206 0.000 0.853 89 N CB -0.627 37.978 38.487 0.197 0.000 1.051 89 N HN 0.652 nan 8.380 nan 0.000 0.423 90 Q N 0.566 120.551 119.800 0.307 0.000 2.369 90 Q HA 0.078 4.417 4.340 -0.000 0.000 0.206 90 Q C 1.678 177.840 176.000 0.270 0.000 0.963 90 Q CA 0.828 56.858 55.803 0.379 0.000 0.894 90 Q CB -0.314 28.651 28.738 0.378 0.000 0.965 90 Q HN 0.041 nan 8.270 nan 0.000 0.475 91 V N 0.695 120.733 119.914 0.207 0.000 2.548 91 V HA -0.171 3.949 4.120 -0.000 0.000 0.249 91 V C 2.097 178.247 176.094 0.094 0.000 1.055 91 V CA 1.358 63.753 62.300 0.160 0.000 1.065 91 V CB -0.342 31.543 31.823 0.103 0.000 0.681 91 V HN 0.438 nan 8.190 nan 0.000 0.462 92 L N -0.029 121.259 121.223 0.109 0.000 2.093 92 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 92 L C 2.565 179.314 176.870 -0.201 0.000 1.085 92 L CA 1.646 56.520 54.840 0.055 0.000 0.755 92 L CB -0.989 41.204 42.059 0.224 0.000 0.904 92 L HN 0.455 nan 8.230 nan 0.000 0.435 93 G N -1.206 107.298 108.800 -0.494 0.000 2.394 93 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.215 93 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.215 93 G C 1.507 176.248 174.900 -0.265 0.000 1.165 93 G CA 0.107 44.460 45.100 -1.246 0.000 0.784 93 G HN 0.323 nan 8.290 nan 0.000 0.535 94 Q N 0.012 119.872 119.800 0.100 0.000 2.224 94 Q HA 0.054 4.394 4.340 -0.000 0.000 0.203 94 Q C 2.946 179.001 176.000 0.091 0.000 0.970 94 Q CA 0.897 56.839 55.803 0.233 0.000 0.865 94 Q CB -0.126 28.808 28.738 0.327 0.000 0.922 94 Q HN 0.490 nan 8.270 nan 0.000 0.445 95 A N 0.765 123.612 122.820 0.044 0.000 1.898 95 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 95 A C 2.021 179.595 177.584 -0.016 0.000 1.181 95 A CA 0.820 52.870 52.037 0.022 0.000 0.620 95 A CB -0.518 18.480 19.000 -0.002 0.000 0.819 95 A HN 0.269 nan 8.150 nan 0.000 0.442 96 L N -0.566 120.623 121.223 -0.056 0.000 2.083 96 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 96 L C 2.498 179.460 176.870 0.153 0.000 1.083 96 L CA 0.926 55.748 54.840 -0.029 0.000 0.752 96 L CB -0.484 41.401 42.059 -0.291 0.000 0.899 96 L HN 0.377 nan 8.230 nan 0.000 0.433 97 L N -0.595 120.731 121.223 0.172 0.000 2.093 97 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 97 L C 2.872 179.695 176.870 -0.079 0.000 1.085 97 L CA 1.003 55.890 54.840 0.078 0.000 0.755 97 L CB -0.698 41.382 42.059 0.036 0.000 0.904 97 L HN 0.242 nan 8.230 nan 0.000 0.435 98 A N -0.002 122.722 122.820 -0.160 0.000 1.877 98 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 98 A C 2.336 179.913 177.584 -0.013 0.000 1.186 98 A CA 1.435 53.386 52.037 -0.143 0.000 0.620 98 A CB -0.261 18.717 19.000 -0.036 0.000 0.822 98 A HN 0.200 nan 8.150 nan 0.000 0.443 99 K N -0.461 119.943 120.400 0.008 0.000 2.057 99 K HA -0.120 4.200 4.320 -0.000 0.000 0.206 99 K C 2.133 178.752 176.600 0.032 0.000 1.050 99 K CA 1.385 57.685 56.287 0.022 0.000 0.935 99 K CB -0.463 32.044 32.500 0.011 0.000 0.715 99 K HN 0.547 nan 8.250 nan 0.000 0.439 100 R N 0.683 121.212 120.500 0.048 0.000 2.139 100 R HA -0.022 4.318 4.340 -0.000 0.000 0.243 100 R C 1.871 178.189 176.300 0.029 0.000 1.145 100 R CA 1.294 57.426 56.100 0.054 0.000 0.976 100 R CB -0.028 30.320 30.300 0.080 0.000 0.866 100 R HN 0.144 nan 8.270 nan 0.000 0.449 101 M N -0.806 118.806 119.600 0.020 0.000 2.494 101 M HA 0.158 4.638 4.480 -0.000 0.000 0.232 101 M C 0.826 177.154 176.300 0.047 0.000 1.137 101 M CA 0.645 55.964 55.300 0.031 0.000 1.012 101 M CB 1.071 33.693 32.600 0.036 0.000 1.567 101 M HN 0.439 nan 8.290 nan 0.000 0.486 102 G N 1.483 110.308 108.800 0.041 0.000 2.168 102 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 102 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 102 G C -0.124 174.811 174.900 0.058 0.000 0.997 102 G CA 0.215 45.341 45.100 0.043 0.000 0.708 102 G HN 0.331 nan 8.290 nan 0.000 0.520 103 K N 0.514 120.959 120.400 0.076 0.000 2.218 103 K HA 0.593 4.913 4.320 -0.000 0.000 0.276 103 K C 1.427 178.078 176.600 0.085 0.000 1.022 103 K CA 0.312 56.664 56.287 0.107 0.000 0.946 103 K CB 1.319 33.924 32.500 0.175 0.000 1.000 103 K HN 0.308 nan 8.250 nan 0.000 0.468 104 S N 0.672 116.420 115.700 0.081 0.000 2.523 104 S HA 0.214 4.684 4.470 -0.000 0.000 0.217 104 S C -0.005 174.634 174.600 0.065 0.000 0.996 104 S CA -0.345 57.890 58.200 0.059 0.000 0.921 104 S CB 0.100 63.326 63.200 0.042 0.000 0.829 104 S HN 0.560 nan 8.310 nan 0.000 0.495 105 E N 0.512 120.768 120.200 0.093 0.000 2.299 105 E HA 0.606 4.956 4.350 -0.000 0.000 0.265 105 E C -1.321 175.351 176.600 0.121 0.000 0.911 105 E CA -0.909 55.545 56.400 0.090 0.000 0.789 105 E CB 1.609 31.361 29.700 0.087 0.000 1.246 105 E HN 0.116 nan 8.360 nan 0.000 0.427 106 I N 2.444 123.067 120.570 0.088 0.000 2.533 106 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 106 I C -0.626 175.527 176.117 0.060 0.000 1.056 106 I CA -0.493 60.858 61.300 0.085 0.000 1.057 106 I CB 1.539 39.577 38.000 0.063 0.000 1.240 106 I HN 0.487 nan 8.210 nan 0.000 0.423 107 I N 4.745 125.357 120.570 0.071 0.000 2.433 107 I HA 0.741 4.910 4.170 -0.000 0.000 0.292 107 I C -0.069 176.174 176.117 0.209 0.000 1.001 107 I CA -0.446 60.927 61.300 0.121 0.000 1.119 107 I CB 2.119 40.197 38.000 0.131 0.000 1.289 107 I HN 0.675 nan 8.210 nan 0.000 0.438 108 A N 5.465 128.407 122.820 0.205 0.000 2.572 108 A HA 0.734 5.054 4.320 -0.000 0.000 0.295 108 A C -1.130 176.631 177.584 0.294 0.000 1.072 108 A CA -0.620 51.572 52.037 0.258 0.000 0.691 108 A CB 1.880 20.912 19.000 0.053 0.000 1.291 108 A HN 0.641 nan 8.150 nan 0.000 0.404 109 E N 0.621 121.029 120.200 0.347 0.000 2.222 109 E HA 0.795 5.144 4.350 -0.000 0.000 0.267 109 E C -1.037 175.681 176.600 0.197 0.000 0.963 109 E CA -0.608 55.939 56.400 0.245 0.000 0.837 109 E CB 1.961 31.771 29.700 0.184 0.000 1.183 109 E HN 0.549 nan 8.360 nan 0.000 0.403 110 T N 0.196 114.817 114.554 0.110 0.000 2.942 110 T HA 0.581 4.931 4.350 -0.000 0.000 0.327 110 T C -0.137 174.582 174.700 0.031 0.000 1.360 110 T CA 0.057 62.205 62.100 0.080 0.000 1.055 110 T CB 1.262 70.172 68.868 0.070 0.000 1.261 110 T HN 0.535 nan 8.240 nan 0.000 0.485 111 G N 1.113 109.920 108.800 0.011 0.000 2.834 111 G HA2 0.440 4.400 3.960 -0.000 0.000 0.204 111 G HA3 0.440 4.400 3.960 -0.000 0.000 0.204 111 G C 1.527 176.437 174.900 0.017 0.000 1.176 111 G CA 0.646 45.748 45.100 0.003 0.000 0.818 111 G HN 0.912 nan 8.290 nan 0.000 0.638 112 A N -0.048 122.783 122.820 0.018 0.000 2.168 112 A HA 0.405 4.725 4.320 -0.000 0.000 0.215 112 A C 2.174 179.782 177.584 0.041 0.000 1.152 112 A CA 1.614 53.670 52.037 0.032 0.000 0.716 112 A CB -0.673 18.349 19.000 0.036 0.000 0.794 112 A HN 1.803 nan 8.150 nan 0.000 0.465 113 G N -1.731 107.092 108.800 0.037 0.000 2.205 113 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 113 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 113 G C 1.036 175.947 174.900 0.019 0.000 0.980 113 G CA 0.715 45.834 45.100 0.032 0.000 0.632 113 G HN 0.399 nan 8.290 nan 0.000 0.533 114 Q N -0.447 119.368 119.800 0.025 0.000 2.119 114 Q HA -0.038 4.302 4.340 -0.000 0.000 0.201 114 Q C 1.991 177.988 176.000 -0.005 0.000 0.972 114 Q CA 2.009 57.814 55.803 0.003 0.000 0.847 114 Q CB -0.296 28.447 28.738 0.007 0.000 0.903 114 Q HN 0.829 nan 8.270 nan 0.000 0.433 115 H N -0.126 118.902 119.070 -0.071 0.000 2.428 115 H HA 0.007 4.563 4.556 -0.000 0.000 0.296 115 H C 1.864 177.162 175.328 -0.051 0.000 1.062 115 H CA 1.651 57.652 56.048 -0.079 0.000 1.350 115 H CB -0.247 29.463 29.762 -0.085 0.000 1.403 115 H HN 0.259 nan 8.280 nan 0.000 0.533 116 G N -0.158 108.573 108.800 -0.115 0.000 2.421 116 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.216 116 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.216 116 G C 1.832 176.647 174.900 -0.141 0.000 1.171 116 G CA 1.012 46.026 45.100 -0.144 0.000 0.775 116 G HN 0.370 nan 8.290 nan 0.000 0.543 117 V N 1.495 121.352 119.914 -0.094 0.000 2.343 117 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 117 V C 3.327 179.356 176.094 -0.108 0.000 1.051 117 V CA 2.025 64.277 62.300 -0.080 0.000 1.036 117 V CB -0.728 31.059 31.823 -0.060 0.000 0.654 117 V HN 0.475 nan 8.190 nan 0.000 0.451 118 A N -0.555 122.186 122.820 -0.132 0.000 1.902 118 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 118 A C 2.485 179.997 177.584 -0.121 0.000 1.181 118 A CA 2.299 54.269 52.037 -0.112 0.000 0.623 118 A CB -0.724 18.224 19.000 -0.086 0.000 0.818 118 A HN 0.509 nan 8.150 nan 0.000 0.443 119 S N -0.206 115.345 115.700 -0.248 0.000 2.382 119 S HA -0.029 4.441 4.470 -0.000 0.000 0.228 119 S C 2.276 176.816 174.600 -0.099 0.000 1.027 119 S CA 1.168 59.241 58.200 -0.212 0.000 0.991 119 S CB -0.425 62.573 63.200 -0.337 0.000 0.823 119 S HN 0.792 nan 8.310 nan 0.000 0.469 120 A N 1.893 124.659 122.820 -0.090 0.000 1.873 120 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 120 A C 2.180 179.762 177.584 -0.003 0.000 1.186 120 A CA 1.581 53.591 52.037 -0.044 0.000 0.616 120 A CB -0.738 18.237 19.000 -0.043 0.000 0.823 120 A HN 0.523 nan 8.150 nan 0.000 0.442 121 L N -1.688 119.544 121.223 0.015 0.000 2.093 121 L HA 0.155 4.495 4.340 -0.000 0.000 0.208 121 L C 2.409 179.349 176.870 0.116 0.000 1.085 121 L CA 2.080 56.979 54.840 0.098 0.000 0.755 121 L CB -1.320 40.813 42.059 0.123 0.000 0.904 121 L HN 0.176 nan 8.230 nan 0.000 0.435 122 A N -0.096 122.767 122.820 0.072 0.000 1.898 122 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 122 A C 2.441 180.018 177.584 -0.011 0.000 1.181 122 A CA 1.889 53.942 52.037 0.028 0.000 0.620 122 A CB -0.994 18.022 19.000 0.027 0.000 0.819 122 A HN 0.534 nan 8.150 nan 0.000 0.442 123 S N -0.190 115.509 115.700 -0.002 0.000 2.383 123 S HA 0.000 4.470 4.470 -0.000 0.000 0.227 123 S C 2.268 176.864 174.600 -0.006 0.000 1.026 123 S CA 1.070 59.268 58.200 -0.004 0.000 0.981 123 S CB -0.380 62.819 63.200 -0.003 0.000 0.818 123 S HN 0.777 nan 8.310 nan 0.000 0.472 124 A N 1.208 124.031 122.820 0.006 0.000 1.898 124 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 124 A C 2.116 179.697 177.584 -0.005 0.000 1.181 124 A CA 1.268 53.312 52.037 0.012 0.000 0.620 124 A CB -0.618 18.406 19.000 0.039 0.000 0.819 124 A HN 0.433 nan 8.150 nan 0.000 0.442 125 L N -0.595 120.611 121.223 -0.028 0.000 2.072 125 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 125 L C 1.754 178.557 176.870 -0.110 0.000 1.079 125 L CA 1.652 56.429 54.840 -0.105 0.000 0.752 125 L CB -0.227 41.661 42.059 -0.284 0.000 0.906 125 L HN 0.345 nan 8.230 nan 0.000 0.436 126 L N -0.243 120.926 121.223 -0.091 0.000 2.628 126 L HA 0.347 4.686 4.340 -0.000 0.000 0.229 126 L C 1.044 177.891 176.870 -0.039 0.000 1.137 126 L CA 0.319 55.114 54.840 -0.074 0.000 0.909 126 L CB -0.644 41.370 42.059 -0.075 0.000 1.137 126 L HN 0.474 nan 8.230 nan 0.000 0.470 127 G N 1.382 110.166 108.800 -0.027 0.000 2.289 127 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.280 127 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.280 127 G C -0.348 174.552 174.900 -0.000 0.000 1.089 127 G CA -0.081 45.012 45.100 -0.012 0.000 0.939 127 G HN 0.241 nan 8.290 nan 0.000 0.499 128 L N -1.051 120.174 121.223 0.004 0.000 2.354 128 L HA 0.868 5.207 4.340 -0.000 0.000 0.269 128 L C 0.620 177.499 176.870 0.014 0.000 1.005 128 L CA -0.786 54.064 54.840 0.018 0.000 0.819 128 L CB 1.901 43.977 42.059 0.028 0.000 1.311 128 L HN 0.229 nan 8.230 nan 0.000 0.423 129 K N 0.802 121.214 120.400 0.021 0.000 2.263 129 K HA 0.423 4.742 4.320 -0.000 0.000 0.282 129 K C -0.669 175.938 176.600 0.010 0.000 1.089 129 K CA -0.363 55.931 56.287 0.012 0.000 0.907 129 K CB 0.813 33.321 32.500 0.014 0.000 1.148 129 K HN 0.688 nan 8.250 nan 0.000 0.470 130 C N 4.574 123.870 119.300 -0.006 0.000 2.319 130 C HA 0.790 5.250 4.460 -0.000 0.000 0.335 130 C C 0.034 174.994 174.990 -0.050 0.000 1.274 130 C CA -0.711 58.295 59.018 -0.020 0.000 1.806 130 C CB -0.337 27.386 27.740 -0.028 0.000 2.329 130 C HN 1.004 nan 8.230 nan 0.000 0.524 131 R N 6.227 126.686 120.500 -0.068 0.000 2.561 131 R HA 0.789 5.129 4.340 -0.000 0.000 0.297 131 R C -1.427 174.757 176.300 -0.195 0.000 0.969 131 R CA -0.719 55.292 56.100 -0.148 0.000 0.879 131 R CB 0.906 31.104 30.300 -0.170 0.000 1.178 131 R HN 0.500 nan 8.270 nan 0.000 0.445 132 I N 3.399 123.825 120.570 -0.240 0.000 2.433 132 I HA 0.323 4.492 4.170 -0.000 0.000 0.292 132 I C -0.722 175.224 176.117 -0.284 0.000 1.001 132 I CA -1.201 59.986 61.300 -0.187 0.000 1.119 132 I CB 1.340 39.278 38.000 -0.102 0.000 1.289 132 I HN 0.638 nan 8.210 nan 0.000 0.438 133 Y N 5.884 126.185 120.300 0.001 0.000 2.320 133 Y HA 0.599 5.149 4.550 -0.000 0.000 0.334 133 Y C 0.343 176.235 175.900 -0.013 0.000 1.055 133 Y CA -0.455 57.638 58.100 -0.010 0.000 1.143 133 Y CB 1.772 40.228 38.460 -0.008 0.000 1.193 133 Y HN 0.497 nan 8.280 nan 0.000 0.477 134 M N 2.285 121.949 119.600 0.108 0.000 2.322 134 M HA 0.566 5.046 4.480 -0.000 0.000 0.286 134 M C -0.347 175.958 176.300 0.008 0.000 1.111 134 M CA -0.575 54.752 55.300 0.044 0.000 0.941 134 M CB 1.514 34.120 32.600 0.009 0.000 1.671 134 M HN 0.789 nan 8.290 nan 0.000 0.470 135 G N 2.030 110.832 108.800 0.004 0.000 2.432 135 G HA2 0.383 4.343 3.960 -0.000 0.000 0.239 135 G HA3 0.383 4.343 3.960 -0.000 0.000 0.239 135 G C 0.768 175.633 174.900 -0.058 0.000 1.291 135 G CA 0.221 45.305 45.100 -0.027 0.000 0.863 135 G HN 1.064 nan 8.290 nan 0.000 0.560 136 A N 2.169 124.908 122.820 -0.135 0.000 1.940 136 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 136 A C 2.223 179.800 177.584 -0.012 0.000 1.176 136 A CA 2.082 54.038 52.037 -0.135 0.000 0.631 136 A CB -0.342 18.512 19.000 -0.243 0.000 0.814 136 A HN 0.718 nan 8.150 nan 0.000 0.446 137 K N -0.491 119.919 120.400 0.017 0.000 2.057 137 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 137 K C 1.060 177.687 176.600 0.045 0.000 1.049 137 K CA 1.718 58.033 56.287 0.047 0.000 0.931 137 K CB -0.191 32.344 32.500 0.059 0.000 0.714 137 K HN 0.377 nan 8.250 nan 0.000 0.440 138 D N 0.306 120.725 120.400 0.031 0.000 2.269 138 D HA -0.097 4.542 4.640 -0.000 0.000 0.208 138 D C 1.864 178.187 176.300 0.040 0.000 0.963 138 D CA 0.582 54.603 54.000 0.036 0.000 0.864 138 D CB 0.045 40.861 40.800 0.027 0.000 0.936 138 D HN 0.037 nan 8.370 nan 0.000 0.505 139 V N 1.490 121.418 119.914 0.023 0.000 2.490 139 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 139 V C 2.303 178.430 176.094 0.056 0.000 1.061 139 V CA 1.521 63.836 62.300 0.024 0.000 1.064 139 V CB -0.158 31.661 31.823 -0.007 0.000 0.670 139 V HN 0.124 nan 8.190 nan 0.000 0.461 140 E N 0.696 120.930 120.200 0.057 0.000 2.042 140 E HA -0.111 4.239 4.350 -0.000 0.000 0.189 140 E C 2.290 178.940 176.600 0.084 0.000 0.974 140 E CA 1.052 57.494 56.400 0.069 0.000 0.806 140 E CB -0.385 29.352 29.700 0.063 0.000 0.769 140 E HN 0.725 nan 8.360 nan 0.000 0.451 141 R N 0.619 121.168 120.500 0.083 0.000 2.323 141 R HA 0.062 4.402 4.340 -0.000 0.000 0.198 141 R C 0.816 177.181 176.300 0.108 0.000 0.988 141 R CA 0.706 56.863 56.100 0.095 0.000 1.041 141 R CB 0.123 30.472 30.300 0.082 0.000 0.926 141 R HN -0.026 nan 8.270 nan 0.000 0.476 142 Q N 0.761 120.625 119.800 0.106 0.000 2.088 142 Q HA 0.109 4.449 4.340 -0.000 0.000 0.270 142 Q C 0.632 176.715 176.000 0.138 0.000 0.854 142 Q CA 0.296 56.167 55.803 0.114 0.000 1.104 142 Q CB 1.701 30.488 28.738 0.081 0.000 1.251 142 Q HN 0.396 nan 8.270 nan 0.000 0.436 143 S N 0.452 116.249 115.700 0.162 0.000 2.387 143 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 143 S C -0.884 173.899 174.600 0.306 0.000 1.035 143 S CA 1.085 59.420 58.200 0.225 0.000 1.014 143 S CB -1.247 62.081 63.200 0.214 0.000 0.836 143 S HN 0.176 nan 8.310 nan 0.000 0.466 144 P HA -0.082 nan 4.420 nan 0.000 0.217 144 P C 0.841 178.256 177.300 0.191 0.000 1.148 144 P CA 1.491 64.684 63.100 0.156 0.000 0.828 144 P CB -0.366 31.440 31.700 0.176 0.000 0.783 145 N N -1.420 117.378 118.700 0.164 0.000 2.354 145 N HA -0.058 4.681 4.740 -0.000 0.000 0.179 145 N C 1.429 177.011 175.510 0.120 0.000 1.021 145 N CA 0.243 53.362 53.050 0.116 0.000 0.887 145 N CB -0.215 38.316 38.487 0.074 0.000 0.974 145 N HN -0.060 nan 8.380 nan 0.000 0.437 146 V N 0.640 120.647 119.914 0.155 0.000 2.358 146 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 146 V C 1.601 177.724 176.094 0.049 0.000 1.047 146 V CA 1.593 63.931 62.300 0.063 0.000 1.035 146 V CB -0.609 31.221 31.823 0.011 0.000 0.658 146 V HN 0.208 nan 8.190 nan 0.000 0.452 147 F N 0.469 120.419 119.950 -0.001 0.000 2.102 147 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 147 F C 2.616 178.415 175.800 -0.001 0.000 1.105 147 F CA 1.522 59.521 58.000 -0.002 0.000 1.239 147 F CB -0.612 38.390 39.000 0.004 0.000 0.991 147 F HN -0.023 nan 8.300 nan 0.000 0.474 148 R N -0.236 120.386 120.500 0.204 0.000 2.083 148 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 148 R C 2.239 178.571 176.300 0.053 0.000 1.137 148 R CA 1.895 58.057 56.100 0.103 0.000 0.951 148 R CB -0.668 29.672 30.300 0.068 0.000 0.851 148 R HN 0.336 nan 8.270 nan 0.000 0.434 149 M N 0.105 119.724 119.600 0.031 0.000 2.080 149 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 149 M C 2.348 178.639 176.300 -0.015 0.000 1.068 149 M CA 1.685 56.980 55.300 -0.007 0.000 1.109 149 M CB -0.294 32.290 32.600 -0.028 0.000 1.342 149 M HN 0.071 nan 8.290 nan 0.000 0.405 150 R N 0.248 120.732 120.500 -0.026 0.000 2.080 150 R HA -0.124 4.215 4.340 -0.000 0.000 0.236 150 R C 2.098 178.392 176.300 -0.010 0.000 1.137 150 R CA 1.274 57.349 56.100 -0.042 0.000 0.943 150 R CB -1.284 28.964 30.300 -0.087 0.000 0.846 150 R HN 0.303 nan 8.270 nan 0.000 0.431 151 L N 0.981 122.216 121.223 0.019 0.000 2.197 151 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 151 L C 2.139 179.025 176.870 0.028 0.000 1.095 151 L CA 1.613 56.474 54.840 0.035 0.000 0.764 151 L CB -0.582 41.515 42.059 0.064 0.000 0.897 151 L HN 0.208 nan 8.230 nan 0.000 0.436 152 M N -1.876 117.737 119.600 0.022 0.000 2.505 152 M HA 0.195 4.675 4.480 -0.000 0.000 0.230 152 M C 1.285 177.591 176.300 0.010 0.000 1.153 152 M CA 0.646 55.961 55.300 0.024 0.000 0.997 152 M CB 0.014 32.632 32.600 0.028 0.000 1.606 152 M HN 0.372 nan 8.290 nan 0.000 0.481 153 G N 0.763 109.562 108.800 -0.000 0.000 2.157 153 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 153 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 153 G C 0.111 174.998 174.900 -0.021 0.000 0.979 153 G CA 0.083 45.178 45.100 -0.009 0.000 0.650 153 G HN 0.661 nan 8.290 nan 0.000 0.529 154 A N -0.078 122.724 122.820 -0.029 0.000 2.316 154 A HA 0.697 5.016 4.320 -0.000 0.000 0.284 154 A C 0.356 177.903 177.584 -0.062 0.000 1.115 154 A CA 0.355 52.365 52.037 -0.046 0.000 0.812 154 A CB 0.665 19.634 19.000 -0.052 0.000 1.064 154 A HN 0.692 nan 8.150 nan 0.000 0.489 155 E N 1.957 122.109 120.200 -0.079 0.000 2.130 155 E HA 0.449 4.799 4.350 -0.000 0.000 0.284 155 E C -1.330 175.189 176.600 -0.134 0.000 1.018 155 E CA -0.397 55.944 56.400 -0.099 0.000 0.817 155 E CB 0.798 30.437 29.700 -0.101 0.000 1.078 155 E HN 0.346 nan 8.360 nan 0.000 0.396 156 V N 6.956 126.796 119.914 -0.122 0.000 2.394 156 V HA 0.312 4.432 4.120 -0.000 0.000 0.282 156 V C 0.102 176.115 176.094 -0.136 0.000 1.031 156 V CA -0.526 61.696 62.300 -0.130 0.000 0.881 156 V CB 1.157 32.920 31.823 -0.100 0.000 0.982 156 V HN 0.659 nan 8.190 nan 0.000 0.451 157 I N 7.292 127.756 120.570 -0.176 0.000 2.359 157 I HA 0.358 4.527 4.170 -0.000 0.000 0.284 157 I C -2.497 173.598 176.117 -0.036 0.000 1.018 157 I CA -1.999 59.225 61.300 -0.127 0.000 1.173 157 I CB 1.982 39.833 38.000 -0.247 0.000 1.326 157 I HN 0.404 nan 8.210 nan 0.000 0.462 158 P HA 0.089 nan 4.420 nan 0.000 0.271 158 P C -0.681 176.527 177.300 -0.154 0.000 1.216 158 P CA -0.093 62.926 63.100 -0.135 0.000 0.771 158 P CB 0.831 32.417 31.700 -0.191 0.000 0.864 159 V N 4.915 124.730 119.914 -0.165 0.000 2.334 159 V HA 0.135 4.254 4.120 -0.000 0.000 0.281 159 V C 1.016 176.996 176.094 -0.191 0.000 1.016 159 V CA -0.214 62.032 62.300 -0.090 0.000 0.832 159 V CB 0.690 32.518 31.823 0.009 0.000 0.999 159 V HN 0.678 nan 8.190 nan 0.000 0.439 160 H N 1.101 120.198 119.070 0.044 0.000 2.553 160 H HA 0.191 4.747 4.556 -0.000 0.000 0.265 160 H C 1.039 176.383 175.328 0.026 0.000 0.964 160 H CA -0.005 56.063 56.048 0.033 0.000 1.156 160 H CB 0.676 30.454 29.762 0.027 0.000 1.411 160 H HN 0.527 nan 8.280 nan 0.000 0.558 161 S N -0.043 115.723 115.700 0.109 0.000 2.579 161 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 161 S C 1.347 175.975 174.600 0.047 0.000 1.345 161 S CA 0.239 58.480 58.200 0.069 0.000 1.031 161 S CB 1.227 64.455 63.200 0.046 0.000 0.892 161 S HN 0.716 nan 8.310 nan 0.000 0.529 162 G N 2.320 111.140 108.800 0.034 0.000 2.622 162 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.307 162 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.307 162 G C 0.918 175.834 174.900 0.026 0.000 1.226 162 G CA 0.555 45.667 45.100 0.020 0.000 0.997 162 G HN 1.394 nan 8.290 nan 0.000 0.551 163 S N 0.725 116.438 115.700 0.022 0.000 2.593 163 S HA 0.489 4.958 4.470 -0.000 0.000 0.217 163 S C 1.628 176.254 174.600 0.043 0.000 0.966 163 S CA 1.312 59.532 58.200 0.032 0.000 0.914 163 S CB 0.081 63.298 63.200 0.029 0.000 0.776 163 S HN 2.585 nan 8.310 nan 0.000 0.523 164 A N 0.790 123.633 122.820 0.038 0.000 2.745 164 A HA -0.121 4.199 4.320 -0.000 0.000 0.296 164 A C 0.782 178.380 177.584 0.023 0.000 1.500 164 A CA 1.030 53.083 52.037 0.027 0.000 0.766 164 A CB -2.521 16.505 19.000 0.044 0.000 1.030 164 A HN 1.180 nan 8.150 nan 0.000 0.489 165 T N -4.895 109.676 114.554 0.029 0.000 2.626 165 T HA 0.636 4.986 4.350 -0.000 0.000 0.279 165 T C 1.002 175.722 174.700 0.033 0.000 0.983 165 T CA -0.099 62.020 62.100 0.032 0.000 1.059 165 T CB 0.183 69.076 68.868 0.042 0.000 1.396 165 T HN 1.223 nan 8.240 nan 0.000 0.519 166 L N 1.534 122.776 121.223 0.032 0.000 2.011 166 L HA -0.140 4.200 4.340 -0.000 0.000 0.225 166 L C 2.653 179.542 176.870 0.032 0.000 1.084 166 L CA 2.812 57.658 54.840 0.011 0.000 0.791 166 L CB -1.075 40.978 42.059 -0.009 0.000 0.898 166 L HN 0.938 nan 8.230 nan 0.000 0.440 167 K N -0.829 119.668 120.400 0.163 0.000 2.059 167 K HA -0.248 4.072 4.320 -0.000 0.000 0.212 167 K C 1.727 178.389 176.600 0.103 0.000 1.050 167 K CA 2.207 58.631 56.287 0.230 0.000 0.927 167 K CB -0.437 32.165 32.500 0.171 0.000 0.714 167 K HN 0.588 nan 8.250 nan 0.000 0.447 168 D N 0.228 120.664 120.400 0.059 0.000 2.144 168 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 168 D C 1.923 178.223 176.300 -0.000 0.000 0.978 168 D CA 1.266 55.284 54.000 0.031 0.000 0.833 168 D CB -0.105 40.709 40.800 0.024 0.000 0.961 168 D HN 0.442 nan 8.370 nan 0.000 0.470 169 A N 0.898 123.721 122.820 0.006 0.000 1.933 169 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 169 A C 2.549 180.118 177.584 -0.025 0.000 1.175 169 A CA 0.995 53.044 52.037 0.020 0.000 0.628 169 A CB -0.885 18.148 19.000 0.054 0.000 0.814 169 A HN 0.306 nan 8.150 nan 0.000 0.444 170 C N -0.298 118.964 119.300 -0.063 0.000 2.432 170 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 170 C C 2.677 177.663 174.990 -0.006 0.000 1.249 170 C CA 1.107 60.061 59.018 -0.107 0.000 1.725 170 C CB -1.448 25.972 27.740 -0.533 0.000 2.028 170 C HN 0.656 nan 8.230 nan 0.000 0.477 171 N N 1.136 119.840 118.700 0.006 0.000 2.069 171 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 171 N C 1.633 177.089 175.510 -0.091 0.000 1.031 171 N CA 1.348 54.426 53.050 0.047 0.000 0.852 171 N CB -0.574 37.960 38.487 0.077 0.000 1.018 171 N HN 0.536 nan 8.380 nan 0.000 0.423 172 E N 0.957 121.015 120.200 -0.236 0.000 2.077 172 E HA -0.064 4.285 4.350 -0.000 0.000 0.193 172 E C 1.965 178.118 176.600 -0.746 0.000 0.989 172 E CA 0.914 56.995 56.400 -0.532 0.000 0.800 172 E CB -0.512 28.721 29.700 -0.778 0.000 0.746 172 E HN 0.354 nan 8.360 nan 0.000 0.452 173 A N 1.391 123.840 122.820 -0.618 0.000 1.883 173 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 173 A C 2.398 179.674 177.584 -0.513 0.000 1.186 173 A CA 1.242 52.991 52.037 -0.479 0.000 0.624 173 A CB -0.792 18.012 19.000 -0.326 0.000 0.822 173 A HN 0.213 nan 8.150 nan 0.000 0.444 174 L N -1.270 119.744 121.223 -0.348 0.000 2.056 174 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 174 L C 2.950 179.802 176.870 -0.030 0.000 1.078 174 L CA 1.370 56.123 54.840 -0.146 0.000 0.749 174 L CB -0.355 41.722 42.059 0.030 0.000 0.901 174 L HN 0.408 nan 8.230 nan 0.000 0.433 175 R N -0.448 120.010 120.500 -0.069 0.000 2.081 175 R HA -0.206 4.133 4.340 -0.000 0.000 0.235 175 R C 2.014 178.316 176.300 0.003 0.000 1.131 175 R CA 1.680 57.762 56.100 -0.030 0.000 0.960 175 R CB -0.429 29.835 30.300 -0.060 0.000 0.856 175 R HN 0.365 nan 8.270 nan 0.000 0.436 176 D N 0.002 120.384 120.400 -0.030 0.000 2.097 176 D HA -0.211 4.429 4.640 -0.000 0.000 0.195 176 D C 1.648 178.064 176.300 0.193 0.000 0.989 176 D CA 1.012 55.063 54.000 0.086 0.000 0.827 176 D CB -0.170 40.727 40.800 0.162 0.000 0.966 176 D HN 0.187 nan 8.370 nan 0.000 0.456 177 W N 1.935 123.202 121.300 -0.056 0.000 2.338 177 W HA -0.177 4.483 4.660 -0.000 0.000 0.304 177 W C 2.758 179.373 176.519 0.161 0.000 1.212 177 W CA 2.802 60.166 57.345 0.031 0.000 1.264 177 W CB -0.954 28.469 29.460 -0.061 0.000 1.142 177 W HN 0.110 nan 8.180 nan 0.000 0.512 178 S N -0.981 114.797 115.700 0.129 0.000 2.440 178 S HA -0.095 4.375 4.470 -0.000 0.000 0.240 178 S C 1.811 176.520 174.600 0.183 0.000 1.014 178 S CA 1.407 59.624 58.200 0.028 0.000 0.980 178 S CB -0.941 62.262 63.200 0.005 0.000 0.775 178 S HN 0.292 nan 8.310 nan 0.000 0.499 179 G N 0.043 108.929 108.800 0.144 0.000 3.324 179 G HA2 0.395 4.354 3.960 -0.000 0.000 0.251 179 G HA3 0.395 4.354 3.960 -0.000 0.000 0.251 179 G C 0.610 175.505 174.900 -0.010 0.000 1.072 179 G CA 0.260 45.408 45.100 0.080 0.000 0.787 179 G HN 0.800 nan 8.290 nan 0.000 0.537 180 S N -0.833 114.873 115.700 0.010 0.000 3.067 180 S HA 0.064 4.534 4.470 -0.000 0.000 0.253 180 S C 1.387 175.973 174.600 -0.023 0.000 0.942 180 S CA -0.201 57.976 58.200 -0.039 0.000 1.197 180 S CB -0.964 62.294 63.200 0.096 0.000 1.143 180 S HN 0.406 nan 8.310 nan 0.000 0.638 181 Y N 1.449 121.722 120.300 -0.046 0.000 2.465 181 Y HA 0.201 4.751 4.550 -0.001 0.000 0.289 181 Y C 1.733 177.678 175.900 0.075 0.000 1.150 181 Y CA 1.032 59.081 58.100 -0.083 0.000 1.293 181 Y CB -0.760 37.327 38.460 -0.622 0.000 0.977 181 Y HN 0.322 nan 8.280 nan 0.000 0.556 182 E N 0.324 120.299 120.200 -0.377 0.000 2.152 182 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 182 E C 1.782 178.384 176.600 0.004 0.000 0.983 182 E CA 1.745 58.052 56.400 -0.155 0.000 0.818 182 E CB 0.038 29.579 29.700 -0.264 0.000 0.758 182 E HN 0.745 nan 8.360 nan 0.000 0.467 183 T N -3.002 111.565 114.554 0.022 0.000 2.969 183 T HA 0.421 4.771 4.350 -0.000 0.000 0.250 183 T C 0.390 175.179 174.700 0.148 0.000 1.021 183 T CA -0.078 62.066 62.100 0.073 0.000 1.003 183 T CB 0.783 69.672 68.868 0.035 0.000 1.040 183 T HN 0.060 nan 8.240 nan 0.000 0.492 184 A N 1.369 124.325 122.820 0.227 0.000 2.350 184 A HA 0.693 5.013 4.320 -0.000 0.000 0.324 184 A C -1.082 176.787 177.584 0.475 0.000 1.118 184 A CA -0.711 51.504 52.037 0.297 0.000 0.783 184 A CB 0.756 19.916 19.000 0.266 0.000 1.236 184 A HN 0.572 nan 8.150 nan 0.000 0.457 185 H N 1.135 120.354 119.070 0.249 0.000 2.467 185 H HA 0.481 5.037 4.556 -0.000 0.000 0.326 185 H C -1.508 173.796 175.328 -0.040 0.000 1.094 185 H CA -0.537 55.626 56.048 0.191 0.000 1.253 185 H CB 0.720 30.564 29.762 0.137 0.000 1.439 185 H HN 0.555 nan 8.280 nan 0.000 0.479 186 Y N 5.972 125.471 120.300 -1.335 0.000 2.452 186 Y HA 0.197 4.747 4.550 -0.000 0.000 0.348 186 Y C -0.454 174.790 175.900 -1.094 0.000 0.985 186 Y CA -1.221 56.138 58.100 -1.234 0.000 1.214 186 Y CB 0.267 37.683 38.460 -1.739 0.000 1.136 186 Y HN 0.805 nan 8.280 nan 0.000 0.523 187 M N 8.685 127.908 119.600 -0.630 0.000 2.923 187 M HA 0.265 4.745 4.480 -0.000 0.000 0.311 187 M C -1.141 174.846 176.300 -0.522 0.000 1.376 187 M CA -0.194 54.867 55.300 -0.398 0.000 1.468 187 M CB -0.350 32.246 32.600 -0.008 0.000 1.151 187 M HN 0.734 nan 8.290 nan 0.000 0.517 188 L N 2.951 123.464 121.223 -1.183 0.000 2.525 188 L HA 0.136 4.476 4.340 -0.000 0.000 0.278 188 L C 1.208 177.679 176.870 -0.664 0.000 1.218 188 L CA 0.242 54.361 54.840 -1.201 0.000 0.878 188 L CB 0.858 41.929 42.059 -1.645 0.000 1.127 188 L HN 0.827 nan 8.230 nan 0.000 0.492 189 G N 2.212 110.526 108.800 -0.810 0.000 3.141 189 G HA2 0.076 4.036 3.960 -0.000 0.000 0.218 189 G HA3 0.076 4.036 3.960 -0.000 0.000 0.218 189 G C 0.303 174.856 174.900 -0.578 0.000 1.170 189 G CA 0.372 44.705 45.100 -1.279 0.000 0.769 189 G HN 0.572 nan 8.290 nan 0.000 0.546 190 T N -1.543 112.795 114.554 -0.359 0.000 2.816 190 T HA 0.520 4.870 4.350 -0.000 0.000 0.299 190 T C -0.284 174.356 174.700 -0.101 0.000 1.230 190 T CA 0.195 62.185 62.100 -0.183 0.000 1.007 190 T CB 1.385 70.136 68.868 -0.194 0.000 1.289 190 T HN 0.205 nan 8.240 nan 0.000 0.508 191 A N 1.558 124.362 122.820 -0.026 0.000 2.958 191 A HA 0.658 4.978 4.320 -0.000 0.000 0.247 191 A C 0.665 178.269 177.584 0.034 0.000 1.679 191 A CA 0.494 52.532 52.037 0.002 0.000 1.345 191 A CB -1.591 17.415 19.000 0.009 0.000 1.013 191 A HN 1.145 nan 8.150 nan 0.000 0.641 192 A N -0.923 121.923 122.820 0.043 0.000 2.525 192 A HA 0.964 5.284 4.320 -0.000 0.000 0.291 192 A C 0.537 178.168 177.584 0.079 0.000 1.268 192 A CA -0.059 52.051 52.037 0.122 0.000 0.712 192 A CB 0.135 19.263 19.000 0.213 0.000 1.320 192 A HN 2.284 nan 8.150 nan 0.000 0.456 193 G N -1.374 107.476 108.800 0.083 0.000 2.698 193 G HA2 0.057 4.017 3.960 -0.000 0.000 0.225 193 G HA3 0.057 4.017 3.960 -0.000 0.000 0.225 193 G C -3.031 171.808 174.900 -0.101 0.000 1.345 193 G CA -0.216 44.677 45.100 -0.346 0.000 0.871 193 G HN 1.006 nan 8.290 nan 0.000 0.540 194 P HA 0.277 nan 4.420 nan 0.000 0.275 194 P C -0.206 177.154 177.300 0.100 0.000 1.228 194 P CA -0.059 63.067 63.100 0.043 0.000 0.786 194 P CB 0.825 32.552 31.700 0.045 0.000 0.927 195 H N 4.770 123.813 119.070 -0.046 0.000 2.972 195 H HA 0.050 4.605 4.556 -0.000 0.000 0.343 195 H C -1.511 173.738 175.328 -0.132 0.000 1.054 195 H CA -0.677 55.312 56.048 -0.098 0.000 1.412 195 H CB 0.341 30.008 29.762 -0.158 0.000 1.385 195 H HN 0.264 nan 8.280 nan 0.000 0.600 196 P HA -0.025 nan 4.420 nan 0.000 0.268 196 P C 0.416 177.348 177.300 -0.614 0.000 1.329 196 P CA 0.264 62.676 63.100 -1.146 0.000 0.899 196 P CB 0.096 31.104 31.700 -1.153 0.000 1.378 197 Y N 1.677 121.783 120.300 -0.324 0.000 2.151 197 Y HA -0.127 4.423 4.550 -0.000 0.000 0.284 197 Y C -0.260 175.513 175.900 -0.212 0.000 1.166 197 Y CA 2.120 60.049 58.100 -0.285 0.000 1.163 197 Y CB -2.528 35.775 38.460 -0.261 0.000 0.974 197 Y HN 0.183 nan 8.280 nan 0.000 0.511 198 P HA -0.105 nan 4.420 nan 0.000 0.218 198 P C 1.446 178.768 177.300 0.037 0.000 1.149 198 P CA 2.103 65.242 63.100 0.066 0.000 0.817 198 P CB -0.002 31.802 31.700 0.174 0.000 0.785 199 T N -0.931 113.632 114.554 0.016 0.000 2.809 199 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 199 T C 1.760 176.248 174.700 -0.352 0.000 1.039 199 T CA 0.821 62.901 62.100 -0.033 0.000 1.141 199 T CB -0.711 68.155 68.868 -0.003 0.000 0.869 199 T HN 0.040 nan 8.240 nan 0.000 0.437 200 I N 1.089 121.234 120.570 -0.708 0.000 2.179 200 I HA -0.147 4.022 4.170 -0.000 0.000 0.242 200 I C 2.432 178.180 176.117 -0.616 0.000 1.088 200 I CA 1.031 61.644 61.300 -1.145 0.000 1.357 200 I CB -0.418 36.889 38.000 -1.155 0.000 1.051 200 I HN 0.081 nan 8.210 nan 0.000 0.409 201 V N 0.954 120.706 119.914 -0.270 0.000 2.490 201 V HA -0.266 3.853 4.120 -0.000 0.000 0.250 201 V C 2.602 178.714 176.094 0.030 0.000 1.061 201 V CA 1.840 64.109 62.300 -0.052 0.000 1.064 201 V CB -0.885 30.928 31.823 -0.017 0.000 0.670 201 V HN 0.440 nan 8.190 nan 0.000 0.461 202 R N 0.209 120.705 120.500 -0.007 0.000 2.062 202 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 202 R C 2.330 178.708 176.300 0.130 0.000 1.136 202 R CA 1.646 57.779 56.100 0.056 0.000 0.948 202 R CB -0.235 30.089 30.300 0.040 0.000 0.845 202 R HN 0.417 nan 8.270 nan 0.000 0.430 203 E N 0.217 120.483 120.200 0.111 0.000 2.118 203 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 203 E C 1.576 178.474 176.600 0.496 0.000 0.992 203 E CA 1.026 57.578 56.400 0.253 0.000 0.804 203 E CB -0.175 29.697 29.700 0.288 0.000 0.741 203 E HN 0.352 nan 8.360 nan 0.000 0.458 204 F N 0.292 120.405 119.950 0.272 0.000 2.773 204 F HA 0.102 4.629 4.527 -0.000 0.000 0.304 204 F C 1.737 177.724 175.800 0.312 0.000 1.129 204 F CA 0.388 58.615 58.000 0.378 0.000 1.378 204 F CB 0.193 39.371 39.000 0.297 0.000 1.095 204 F HN -0.038 nan 8.300 nan 0.000 0.565 205 Q N -0.601 119.431 119.800 0.387 0.000 2.157 205 Q HA 0.096 4.436 4.340 -0.000 0.000 0.235 205 Q C 2.057 178.176 176.000 0.197 0.000 0.803 205 Q CA -0.021 55.944 55.803 0.270 0.000 0.967 205 Q CB 0.377 29.253 28.738 0.231 0.000 1.150 205 Q HN 0.480 nan 8.270 nan 0.000 0.482 206 R N 1.059 121.679 120.500 0.200 0.000 2.293 206 R HA -0.062 4.278 4.340 -0.000 0.000 0.219 206 R C 1.964 178.326 176.300 0.104 0.000 1.091 206 R CA 1.171 57.358 56.100 0.145 0.000 1.004 206 R CB -0.460 29.928 30.300 0.146 0.000 0.865 206 R HN 0.105 nan 8.270 nan 0.000 0.469 207 M N 0.484 120.146 119.600 0.102 0.000 2.358 207 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 207 M C 1.749 178.080 176.300 0.052 0.000 1.064 207 M CA 1.513 56.842 55.300 0.049 0.000 1.093 207 M CB -0.777 31.826 32.600 0.005 0.000 1.401 207 M HN 0.200 nan 8.290 nan 0.000 0.440 208 I N 1.531 122.152 120.570 0.084 0.000 2.127 208 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 208 I C 2.826 179.006 176.117 0.105 0.000 1.075 208 I CA 1.651 63.007 61.300 0.092 0.000 1.334 208 I CB -1.134 36.928 38.000 0.102 0.000 1.040 208 I HN 0.444 nan 8.210 nan 0.000 0.405 209 G N -0.029 108.839 108.800 0.113 0.000 2.403 209 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.216 209 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.216 209 G C 1.509 176.366 174.900 -0.072 0.000 1.154 209 G CA 0.339 45.514 45.100 0.124 0.000 0.784 209 G HN 0.397 nan 8.290 nan 0.000 0.538 210 E N 0.465 120.624 120.200 -0.069 0.000 2.051 210 E HA -0.109 4.240 4.350 -0.000 0.000 0.192 210 E C 2.412 178.978 176.600 -0.058 0.000 0.991 210 E CA 1.120 57.457 56.400 -0.104 0.000 0.799 210 E CB -0.088 29.582 29.700 -0.049 0.000 0.748 210 E HN 0.537 nan 8.360 nan 0.000 0.449 211 E N 0.116 120.311 120.200 -0.008 0.000 2.072 211 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 211 E C 2.169 178.789 176.600 0.033 0.000 0.985 211 E CA 1.390 57.795 56.400 0.008 0.000 0.801 211 E CB -0.051 29.661 29.700 0.019 0.000 0.750 211 E HN 0.145 nan 8.360 nan 0.000 0.452 212 T N 1.292 115.894 114.554 0.081 0.000 2.720 212 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 212 T C 1.801 176.608 174.700 0.179 0.000 1.037 212 T CA 1.562 63.750 62.100 0.147 0.000 1.144 212 T CB -0.129 68.904 68.868 0.276 0.000 0.864 212 T HN 0.139 nan 8.240 nan 0.000 0.444 213 K N 1.004 121.491 120.400 0.144 0.000 2.026 213 K HA -0.026 4.293 4.320 -0.000 0.000 0.208 213 K C 2.544 179.168 176.600 0.040 0.000 1.048 213 K CA 1.283 57.639 56.287 0.116 0.000 0.929 213 K CB -0.351 31.993 32.500 -0.261 0.000 0.713 213 K HN 0.266 nan 8.250 nan 0.000 0.439 214 A N 1.089 123.905 122.820 -0.007 0.000 1.902 214 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 214 A C 2.031 179.608 177.584 -0.011 0.000 1.181 214 A CA 1.599 53.629 52.037 -0.012 0.000 0.623 214 A CB -0.523 18.466 19.000 -0.018 0.000 0.818 214 A HN 0.517 nan 8.150 nan 0.000 0.443 215 Q N -1.345 118.449 119.800 -0.011 0.000 2.119 215 Q HA -0.079 4.261 4.340 -0.000 0.000 0.201 215 Q C 1.982 177.925 176.000 -0.096 0.000 0.972 215 Q CA 1.284 57.066 55.803 -0.035 0.000 0.847 215 Q CB -0.251 28.474 28.738 -0.021 0.000 0.903 215 Q HN 0.637 nan 8.270 nan 0.000 0.433 216 I N 0.466 120.973 120.570 -0.104 0.000 2.394 216 I HA -0.196 3.973 4.170 -0.000 0.000 0.251 216 I C 1.721 177.771 176.117 -0.111 0.000 1.136 216 I CA 1.116 62.299 61.300 -0.196 0.000 1.425 216 I CB -0.033 37.888 38.000 -0.132 0.000 1.079 216 I HN 0.159 nan 8.210 nan 0.000 0.425 217 L N -0.098 121.103 121.223 -0.037 0.000 2.027 217 L HA -0.216 4.124 4.340 -0.000 0.000 0.206 217 L C 2.194 179.050 176.870 -0.023 0.000 1.074 217 L CA 2.021 56.852 54.840 -0.015 0.000 0.745 217 L CB -0.701 41.360 42.059 0.004 0.000 0.898 217 L HN 0.276 nan 8.230 nan 0.000 0.433 218 D N -0.140 120.244 120.400 -0.026 0.000 2.178 218 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 218 D C 2.060 178.350 176.300 -0.016 0.000 0.974 218 D CA 1.304 55.294 54.000 -0.016 0.000 0.841 218 D CB 0.237 41.030 40.800 -0.012 0.000 0.953 218 D HN 0.154 nan 8.370 nan 0.000 0.478 219 K N -0.667 119.707 120.400 -0.043 0.000 2.211 219 K HA 0.086 4.406 4.320 -0.000 0.000 0.201 219 K C 1.386 177.985 176.600 -0.001 0.000 1.052 219 K CA 0.621 56.898 56.287 -0.018 0.000 0.973 219 K CB 0.415 32.889 32.500 -0.044 0.000 0.766 219 K HN 0.057 nan 8.250 nan 0.000 0.466 220 E N -0.751 119.424 120.200 -0.042 0.000 2.514 220 E HA 0.091 4.441 4.350 -0.000 0.000 0.215 220 E C 0.855 177.455 176.600 -0.001 0.000 0.946 220 E CA 0.480 56.876 56.400 -0.006 0.000 1.038 220 E CB 1.396 31.081 29.700 -0.025 0.000 1.069 220 E HN 0.376 nan 8.360 nan 0.000 0.503 221 G N 2.906 111.702 108.800 -0.007 0.000 2.168 221 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 221 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 221 G C 0.370 175.273 174.900 0.005 0.000 0.977 221 G CA 1.078 46.179 45.100 0.002 0.000 0.659 221 G HN 0.372 nan 8.290 nan 0.000 0.533 222 R N -1.831 118.670 120.500 0.002 0.000 2.741 222 R HA 0.751 5.091 4.340 -0.000 0.000 0.274 222 R C -0.561 175.748 176.300 0.014 0.000 1.029 222 R CA -1.283 54.824 56.100 0.011 0.000 0.880 222 R CB 0.643 30.949 30.300 0.009 0.000 1.264 222 R HN 0.159 nan 8.270 nan 0.000 0.465 223 L N 0.498 121.739 121.223 0.030 0.000 2.456 223 L HA 0.511 4.851 4.340 -0.000 0.000 0.257 223 L C -2.027 174.825 176.870 -0.029 0.000 1.162 223 L CA -2.310 52.557 54.840 0.045 0.000 0.808 223 L CB 0.821 42.939 42.059 0.098 0.000 1.136 223 L HN 0.456 nan 8.230 nan 0.000 0.466 224 P HA 0.095 nan 4.420 nan 0.000 0.278 224 P C -0.449 176.770 177.300 -0.135 0.000 1.238 224 P CA -0.354 62.662 63.100 -0.140 0.000 0.794 224 P CB 0.648 32.203 31.700 -0.243 0.000 0.955 225 D N 0.554 120.901 120.400 -0.088 0.000 2.269 225 D HA 0.084 4.724 4.640 -0.000 0.000 0.208 225 D C 0.390 176.622 176.300 -0.113 0.000 0.963 225 D CA 1.221 55.174 54.000 -0.079 0.000 0.864 225 D CB 0.269 41.039 40.800 -0.049 0.000 0.936 225 D HN 0.430 nan 8.370 nan 0.000 0.505 226 A N 0.069 122.806 122.820 -0.138 0.000 2.573 226 A HA 0.417 4.737 4.320 -0.000 0.000 0.299 226 A C -0.901 176.587 177.584 -0.160 0.000 1.060 226 A CA -0.811 51.130 52.037 -0.160 0.000 0.736 226 A CB 1.025 19.967 19.000 -0.097 0.000 1.280 226 A HN -0.048 nan 8.150 nan 0.000 0.401 227 V N 0.139 119.929 119.914 -0.206 0.000 2.435 227 V HA 0.904 5.024 4.120 -0.000 0.000 0.290 227 V C -0.439 175.681 176.094 0.044 0.000 1.030 227 V CA -0.614 61.622 62.300 -0.107 0.000 0.881 227 V CB 0.948 32.668 31.823 -0.171 0.000 0.983 227 V HN 0.656 nan 8.190 nan 0.000 0.445 228 I N 4.315 124.942 120.570 0.094 0.000 2.436 228 I HA 0.885 5.055 4.170 -0.000 0.000 0.289 228 I C 0.195 176.385 176.117 0.123 0.000 1.010 228 I CA -0.542 60.836 61.300 0.130 0.000 1.098 228 I CB 1.862 39.928 38.000 0.109 0.000 1.266 228 I HN 0.998 nan 8.210 nan 0.000 0.434 229 A N 4.244 127.132 122.820 0.113 0.000 2.515 229 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 229 A C -0.411 177.151 177.584 -0.037 0.000 1.059 229 A CA -0.723 51.312 52.037 -0.004 0.000 0.698 229 A CB 1.152 20.073 19.000 -0.131 0.000 1.289 229 A HN 0.942 nan 8.150 nan 0.000 0.404 230 C N 0.612 119.882 119.300 -0.050 0.000 2.657 230 C HA 0.728 5.188 4.460 -0.000 0.000 0.404 230 C C 0.142 175.052 174.990 -0.135 0.000 1.291 230 C CA -0.559 58.424 59.018 -0.059 0.000 2.218 230 C CB -0.367 27.348 27.740 -0.043 0.000 2.687 230 C HN 0.651 nan 8.230 nan 0.000 0.634 231 V N 4.202 124.035 119.914 -0.134 0.000 2.349 231 V HA 0.600 4.720 4.120 -0.000 0.000 0.284 231 V C 0.839 176.849 176.094 -0.140 0.000 1.014 231 V CA 0.709 62.896 62.300 -0.188 0.000 0.826 231 V CB 0.703 32.395 31.823 -0.217 0.000 1.009 231 V HN 1.287 nan 8.190 nan 0.000 0.431 232 G N 3.432 112.162 108.800 -0.118 0.000 2.571 232 G HA2 0.282 4.242 3.960 -0.000 0.000 0.225 232 G HA3 0.282 4.242 3.960 -0.000 0.000 0.225 232 G C 1.271 176.174 174.900 0.006 0.000 1.731 232 G CA 0.757 45.824 45.100 -0.054 0.000 0.858 232 G HN 0.795 nan 8.290 nan 0.000 0.611 233 G N -0.918 107.853 108.800 -0.048 0.000 2.603 233 G HA2 0.377 4.337 3.960 -0.000 0.000 0.214 233 G HA3 0.377 4.337 3.960 -0.000 0.000 0.214 233 G C 1.125 176.037 174.900 0.019 0.000 1.140 233 G CA 0.963 46.049 45.100 -0.023 0.000 0.800 233 G HN 1.811 nan 8.290 nan 0.000 0.533 234 G N -0.200 108.578 108.800 -0.037 0.000 2.175 234 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.182 234 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.182 234 G C 1.433 176.399 174.900 0.110 0.000 1.003 234 G CA 1.018 46.118 45.100 -0.001 0.000 0.666 234 G HN 1.148 nan 8.290 nan 0.000 0.506 235 S N 1.146 116.868 115.700 0.037 0.000 2.357 235 S HA -0.137 4.332 4.470 -0.000 0.000 0.221 235 S C 2.173 176.768 174.600 -0.007 0.000 1.031 235 S CA 1.655 59.894 58.200 0.065 0.000 0.982 235 S CB -0.524 62.755 63.200 0.133 0.000 0.853 235 S HN 0.948 nan 8.310 nan 0.000 0.458 236 N N 2.778 121.342 118.700 -0.227 0.000 2.270 236 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 236 N C 1.881 177.205 175.510 -0.310 0.000 1.016 236 N CA 1.254 54.003 53.050 -0.501 0.000 0.870 236 N CB -0.518 37.327 38.487 -1.070 0.000 0.979 236 N HN 0.555 nan 8.380 nan 0.000 0.431 237 A N 1.261 123.882 122.820 -0.332 0.000 1.872 237 A HA 0.014 4.333 4.320 -0.000 0.000 0.214 237 A C 2.191 179.327 177.584 -0.746 0.000 1.187 237 A CA 0.779 52.450 52.037 -0.610 0.000 0.614 237 A CB -0.564 18.057 19.000 -0.632 0.000 0.826 237 A HN 0.274 nan 8.150 nan 0.000 0.442 238 I N 0.218 120.646 120.570 -0.237 0.000 2.546 238 I HA -0.023 4.147 4.170 -0.000 0.000 0.255 238 I C 2.238 178.350 176.117 -0.008 0.000 1.163 238 I CA 1.130 62.354 61.300 -0.127 0.000 1.457 238 I CB -0.558 37.365 38.000 -0.128 0.000 1.092 238 I HN 0.223 nan 8.210 nan 0.000 0.434 239 G N 0.130 108.922 108.800 -0.014 0.000 2.408 239 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 239 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 239 G C 1.586 176.545 174.900 0.097 0.000 1.150 239 G CA 1.072 46.210 45.100 0.065 0.000 0.776 239 G HN 0.398 nan 8.290 nan 0.000 0.542 240 M N -0.384 119.255 119.600 0.065 0.000 2.287 240 M HA 0.315 4.795 4.480 -0.000 0.000 0.266 240 M C 1.863 178.456 176.300 0.489 0.000 1.079 240 M CA 0.831 56.260 55.300 0.214 0.000 1.146 240 M CB -0.315 32.365 32.600 0.134 0.000 1.374 240 M HN 0.072 nan 8.290 nan 0.000 0.435 241 F N 0.690 120.761 119.950 0.203 0.000 2.128 241 F HA 0.176 4.703 4.527 -0.000 0.000 0.295 241 F C 2.556 178.478 175.800 0.203 0.000 1.100 241 F CA 0.625 58.757 58.000 0.220 0.000 1.260 241 F CB -1.960 37.126 39.000 0.145 0.000 1.009 241 F HN 0.275 nan 8.300 nan 0.000 0.476 242 A N 0.506 123.535 122.820 0.348 0.000 1.900 242 A HA -0.385 3.935 4.320 -0.000 0.000 0.225 242 A C 1.970 179.634 177.584 0.132 0.000 1.414 242 A CA 2.741 54.900 52.037 0.203 0.000 0.702 242 A CB -1.496 17.592 19.000 0.146 0.000 0.845 242 A HN 0.355 nan 8.150 nan 0.000 0.478 243 D N -2.505 117.917 120.400 0.036 0.000 2.378 243 D HA 0.010 4.650 4.640 -0.000 0.000 0.222 243 D C 1.072 177.229 176.300 -0.238 0.000 0.980 243 D CA 0.665 54.580 54.000 -0.143 0.000 0.907 243 D CB -0.153 40.473 40.800 -0.289 0.000 0.899 243 D HN 0.454 nan 8.370 nan 0.000 0.527 244 F N -0.569 119.427 119.950 0.076 0.000 2.731 244 F HA 0.304 4.831 4.527 -0.000 0.000 0.298 244 F C 1.856 177.664 175.800 0.014 0.000 1.106 244 F CA -0.245 57.776 58.000 0.034 0.000 1.329 244 F CB -0.049 38.962 39.000 0.019 0.000 1.100 244 F HN -0.053 nan 8.300 nan 0.000 0.592 245 I N 0.545 121.228 120.570 0.188 0.000 2.143 245 I HA -0.403 3.767 4.170 -0.000 0.000 0.245 245 I C 1.603 177.775 176.117 0.093 0.000 1.068 245 I CA 1.500 62.872 61.300 0.119 0.000 1.326 245 I CB -0.361 37.719 38.000 0.133 0.000 1.028 245 I HN 0.149 nan 8.210 nan 0.000 0.412 246 N N 0.321 119.074 118.700 0.088 0.000 2.461 246 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 246 N C -0.178 175.372 175.510 0.066 0.000 1.134 246 N CA 0.654 53.745 53.050 0.069 0.000 0.878 246 N CB -0.159 38.362 38.487 0.057 0.000 0.972 246 N HN 0.301 nan 8.380 nan 0.000 0.456 247 D N 0.353 120.808 120.400 0.092 0.000 2.500 247 D HA 0.042 4.682 4.640 -0.000 0.000 0.219 247 D C 1.212 177.551 176.300 0.065 0.000 1.137 247 D CA 0.042 54.099 54.000 0.095 0.000 0.946 247 D CB 0.738 41.643 40.800 0.175 0.000 1.022 247 D HN 0.221 nan 8.370 nan 0.000 0.518 248 T N -1.673 112.903 114.554 0.038 0.000 2.869 248 T HA -0.234 4.116 4.350 -0.000 0.000 0.270 248 T C 1.867 176.565 174.700 -0.003 0.000 1.082 248 T CA 1.454 63.562 62.100 0.014 0.000 1.123 248 T CB -0.054 68.822 68.868 0.013 0.000 0.856 248 T HN 0.245 nan 8.240 nan 0.000 0.499 249 S N 0.345 116.047 115.700 0.003 0.000 2.489 249 S HA 0.150 4.620 4.470 -0.000 0.000 0.228 249 S C 0.687 175.264 174.600 -0.039 0.000 0.995 249 S CA -0.331 57.862 58.200 -0.013 0.000 0.934 249 S CB -0.512 62.687 63.200 -0.002 0.000 0.771 249 S HN 0.381 nan 8.310 nan 0.000 0.522 250 V N 2.781 122.669 119.914 -0.043 0.000 2.389 250 V HA 0.553 4.673 4.120 -0.000 0.000 0.264 250 V C 1.105 177.102 176.094 -0.162 0.000 1.049 250 V CA -0.432 61.800 62.300 -0.113 0.000 0.932 250 V CB 0.247 31.990 31.823 -0.133 0.000 1.011 250 V HN 0.456 nan 8.190 nan 0.000 0.475 251 G N 5.677 114.374 108.800 -0.173 0.000 2.365 251 G HA2 0.418 4.378 3.960 -0.000 0.000 0.249 251 G HA3 0.418 4.378 3.960 -0.000 0.000 0.249 251 G C -0.461 174.257 174.900 -0.304 0.000 1.288 251 G CA -0.382 44.601 45.100 -0.196 0.000 0.887 251 G HN 0.651 nan 8.290 nan 0.000 0.524 252 L N 3.290 124.265 121.223 -0.413 0.000 2.294 252 L HA 0.451 4.790 4.340 -0.000 0.000 0.283 252 L C -0.209 176.297 176.870 -0.607 0.000 1.015 252 L CA -0.455 53.921 54.840 -0.773 0.000 0.831 252 L CB 1.335 42.709 42.059 -1.142 0.000 1.217 252 L HN 0.340 nan 8.230 nan 0.000 0.420 253 I N 2.726 123.085 120.570 -0.351 0.000 2.382 253 I HA 0.428 4.598 4.170 -0.000 0.000 0.286 253 I C 0.537 176.639 176.117 -0.024 0.000 1.002 253 I CA -0.362 60.806 61.300 -0.220 0.000 1.135 253 I CB 1.919 39.857 38.000 -0.103 0.000 1.288 253 I HN 0.586 nan 8.210 nan 0.000 0.448 254 G N 5.519 114.165 108.800 -0.257 0.000 2.356 254 G HA2 0.581 4.540 3.960 -0.000 0.000 0.322 254 G HA3 0.581 4.540 3.960 -0.000 0.000 0.322 254 G C -0.774 174.116 174.900 -0.017 0.000 1.125 254 G CA -0.340 44.738 45.100 -0.036 0.000 0.885 254 G HN 0.332 nan 8.290 nan 0.000 0.467 255 V N 2.878 122.793 119.914 0.003 0.000 2.326 255 V HA 0.283 4.402 4.120 -0.000 0.000 0.281 255 V C 0.084 176.182 176.094 0.008 0.000 1.015 255 V CA -0.741 61.554 62.300 -0.009 0.000 0.823 255 V CB 0.982 32.819 31.823 0.023 0.000 1.009 255 V HN 0.781 nan 8.190 nan 0.000 0.436 256 E N 6.495 126.709 120.200 0.022 0.000 2.319 256 E HA 0.327 4.676 4.350 -0.000 0.000 0.268 256 E C -2.408 174.193 176.600 0.001 0.000 1.050 256 E CA -1.889 54.506 56.400 -0.008 0.000 0.878 256 E CB 1.388 31.095 29.700 0.013 0.000 1.066 256 E HN 0.432 nan 8.360 nan 0.000 0.406 257 P HA -0.004 nan 4.420 nan 0.000 0.271 257 P C 0.019 177.365 177.300 0.076 0.000 1.220 257 P CA 0.063 63.134 63.100 -0.048 0.000 0.768 257 P CB 0.992 32.562 31.700 -0.216 0.000 0.848 258 G N 2.088 110.973 108.800 0.141 0.000 3.088 258 G HA2 0.301 4.261 3.960 -0.000 0.000 0.217 258 G HA3 0.301 4.261 3.960 -0.000 0.000 0.217 258 G C 0.943 175.939 174.900 0.160 0.000 1.159 258 G CA 0.470 45.636 45.100 0.111 0.000 0.760 258 G HN 0.816 nan 8.290 nan 0.000 0.550 259 G N 0.895 109.773 108.800 0.132 0.000 2.651 259 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.315 259 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.315 259 G C 0.814 175.830 174.900 0.194 0.000 1.258 259 G CA 0.541 45.713 45.100 0.119 0.000 1.002 259 G HN 0.401 nan 8.290 nan 0.000 0.551 260 H N 2.610 121.877 119.070 0.330 0.000 2.543 260 H HA 0.413 4.969 4.556 -0.000 0.000 0.269 260 H C 1.493 176.885 175.328 0.107 0.000 1.005 260 H CA 1.387 57.535 56.048 0.166 0.000 1.146 260 H CB -0.369 29.428 29.762 0.059 0.000 1.353 260 H HN 1.804 nan 8.280 nan 0.000 0.595 261 G N 0.252 109.181 108.800 0.214 0.000 2.627 261 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.680 261 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.680 261 G C 0.451 175.414 174.900 0.105 0.000 1.341 261 G CA -0.539 44.633 45.100 0.120 0.000 0.835 261 G HN 0.020 nan 8.290 nan 0.000 0.643 262 I N 1.428 121.981 120.570 -0.028 0.000 2.286 262 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 262 I C 2.828 178.932 176.117 -0.022 0.000 1.115 262 I CA 2.284 63.484 61.300 -0.167 0.000 1.392 262 I CB -0.826 36.821 38.000 -0.588 0.000 1.065 262 I HN 0.867 nan 8.210 nan 0.000 0.418 263 E N 1.290 121.476 120.200 -0.024 0.000 2.333 263 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 263 E C 1.660 178.284 176.600 0.040 0.000 1.007 263 E CA 1.699 58.101 56.400 0.004 0.000 0.845 263 E CB -0.855 28.844 29.700 -0.001 0.000 0.766 263 E HN 0.596 nan 8.360 nan 0.000 0.507 264 T N -3.548 111.051 114.554 0.074 0.000 3.067 264 T HA 0.307 4.656 4.350 -0.000 0.000 0.257 264 T C 1.661 176.400 174.700 0.065 0.000 1.105 264 T CA 0.852 62.993 62.100 0.069 0.000 1.104 264 T CB -0.097 68.830 68.868 0.097 0.000 0.925 264 T HN 0.362 nan 8.240 nan 0.000 0.498 265 G N 1.574 110.441 108.800 0.111 0.000 2.184 265 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.264 265 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.264 265 G C -0.058 174.749 174.900 -0.155 0.000 0.975 265 G CA 0.197 45.300 45.100 0.005 0.000 0.642 265 G HN 0.651 nan 8.290 nan 0.000 0.536 266 E N 1.065 121.275 120.200 0.016 0.000 2.026 266 E HA 0.499 4.849 4.350 -0.000 0.000 0.253 266 E C 0.340 177.060 176.600 0.200 0.000 1.056 266 E CA -0.079 56.359 56.400 0.063 0.000 0.927 266 E CB 0.132 29.895 29.700 0.106 0.000 1.172 266 E HN 0.881 nan 8.360 nan 0.000 0.445 267 H N -1.586 117.561 119.070 0.128 0.000 2.928 267 H HA 0.625 5.180 4.556 -0.000 0.000 0.285 267 H C 0.015 175.345 175.328 0.003 0.000 1.438 267 H CA -1.232 54.851 56.048 0.059 0.000 1.176 267 H CB 0.949 30.732 29.762 0.035 0.000 1.864 267 H HN 0.159 nan 8.280 nan 0.000 0.567 268 G N -1.091 107.848 108.800 0.231 0.000 4.803 268 G HA2 0.528 4.488 3.960 -0.000 0.000 0.266 268 G HA3 0.528 4.488 3.960 -0.000 0.000 0.266 268 G C -0.452 174.543 174.900 0.158 0.000 1.111 268 G CA 0.005 45.174 45.100 0.116 0.000 0.874 268 G HN 0.852 nan 8.290 nan 0.000 0.555 269 A N 1.731 124.759 122.820 0.346 0.000 3.232 269 A HA 0.631 4.950 4.320 -0.000 0.000 0.312 269 A C -0.827 176.830 177.584 0.123 0.000 1.185 269 A CA -1.167 50.949 52.037 0.131 0.000 1.011 269 A CB 0.757 19.774 19.000 0.028 0.000 1.096 269 A HN 0.193 nan 8.150 nan 0.000 0.543 270 P HA -0.176 nan 4.420 nan 0.000 0.219 270 P C 1.641 178.910 177.300 -0.053 0.000 1.150 270 P CA 0.552 63.670 63.100 0.030 0.000 0.814 270 P CB 0.263 31.947 31.700 -0.028 0.000 0.787 271 L N -0.536 120.613 121.223 -0.122 0.000 2.012 271 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 271 L C 2.077 178.816 176.870 -0.218 0.000 1.073 271 L CA 1.813 56.517 54.840 -0.226 0.000 0.748 271 L CB -0.230 41.611 42.059 -0.365 0.000 0.891 271 L HN -0.113 nan 8.230 nan 0.000 0.431 272 K N -1.847 118.405 120.400 -0.247 0.000 2.355 272 K HA 0.164 4.484 4.320 -0.000 0.000 0.198 272 K C 0.367 176.511 176.600 -0.761 0.000 1.039 272 K CA 0.330 56.349 56.287 -0.447 0.000 1.075 272 K CB 0.433 32.634 32.500 -0.499 0.000 0.870 272 K HN 0.435 nan 8.250 nan 0.000 0.540 273 H N -1.124 117.915 119.070 -0.051 0.000 3.124 273 H HA 0.283 4.839 4.556 -0.000 0.000 0.250 273 H C 0.605 175.960 175.328 0.044 0.000 1.184 273 H CA -0.073 55.960 56.048 -0.025 0.000 1.013 273 H CB 1.049 30.733 29.762 -0.130 0.000 1.891 273 H HN 0.086 nan 8.280 nan 0.000 0.687 274 G N 0.352 109.196 108.800 0.073 0.000 2.971 274 G HA2 0.585 4.545 3.960 -0.000 0.000 0.235 274 G HA3 0.585 4.545 3.960 -0.000 0.000 0.235 274 G C -0.729 174.194 174.900 0.039 0.000 1.351 274 G CA -0.750 44.387 45.100 0.063 0.000 1.039 274 G HN 0.146 nan 8.290 nan 0.000 0.563 275 R N -1.228 119.294 120.500 0.037 0.000 2.584 275 R HA 0.467 4.807 4.340 -0.000 0.000 0.276 275 R C -1.093 175.247 176.300 0.067 0.000 1.046 275 R CA -0.648 55.482 56.100 0.049 0.000 0.906 275 R CB 2.258 32.582 30.300 0.041 0.000 1.215 275 R HN 0.539 nan 8.270 nan 0.000 0.449 276 V N 3.876 123.858 119.914 0.113 0.000 2.694 276 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 276 V C 0.104 176.257 176.094 0.099 0.000 1.054 276 V CA 1.681 64.079 62.300 0.163 0.000 1.161 276 V CB 0.601 32.576 31.823 0.253 0.000 0.916 276 V HN 0.930 nan 8.190 nan 0.000 0.490 277 G N 5.636 114.494 108.800 0.095 0.000 2.749 277 G HA2 0.635 4.595 3.960 -0.000 0.000 0.300 277 G HA3 0.635 4.595 3.960 -0.000 0.000 0.300 277 G C -1.505 173.410 174.900 0.024 0.000 1.352 277 G CA -0.855 44.273 45.100 0.046 0.000 0.789 277 G HN 0.741 nan 8.290 nan 0.000 0.509 278 I N 0.680 121.244 120.570 -0.011 0.000 2.447 278 I HA 0.553 4.723 4.170 -0.000 0.000 0.287 278 I C -1.326 174.861 176.117 0.117 0.000 1.023 278 I CA -0.668 60.581 61.300 -0.085 0.000 1.083 278 I CB 1.950 39.757 38.000 -0.322 0.000 1.245 278 I HN 0.605 nan 8.210 nan 0.000 0.434 279 Y N 6.975 127.293 120.300 0.031 0.000 2.638 279 Y HA 0.287 4.836 4.550 -0.000 0.000 0.334 279 Y C -0.380 175.684 175.900 0.273 0.000 1.182 279 Y CA -1.522 56.650 58.100 0.120 0.000 1.102 279 Y CB 0.846 39.353 38.460 0.078 0.000 1.343 279 Y HN 0.489 nan 8.280 nan 0.000 0.463 280 F N 4.163 123.647 119.950 -0.776 0.000 3.091 280 F HA -0.103 4.424 4.527 -0.000 0.000 0.288 280 F C 1.092 176.809 175.800 -0.139 0.000 0.907 280 F CA 2.285 59.924 58.000 -0.601 0.000 1.028 280 F CB -0.942 37.592 39.000 -0.776 0.000 1.022 280 F HN 1.683 nan 8.300 nan 0.000 0.665 281 G N 0.906 109.664 108.800 -0.070 0.000 2.155 281 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 281 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 281 G C 0.242 175.235 174.900 0.157 0.000 0.983 281 G CA 0.688 45.801 45.100 0.022 0.000 0.676 281 G HN 1.468 nan 8.290 nan 0.000 0.528 282 M N -2.272 117.434 119.600 0.177 0.000 2.575 282 M HA 0.738 5.217 4.480 -0.000 0.000 0.284 282 M C -0.742 175.651 176.300 0.154 0.000 1.253 282 M CA -1.230 54.214 55.300 0.241 0.000 0.861 282 M CB 1.863 34.572 32.600 0.182 0.000 1.733 282 M HN -0.007 nan 8.290 nan 0.000 0.462 283 K N 1.822 122.337 120.400 0.192 0.000 2.264 283 K HA 0.805 5.125 4.320 -0.000 0.000 0.277 283 K C -1.511 175.281 176.600 0.319 0.000 1.067 283 K CA -0.087 56.274 56.287 0.123 0.000 0.900 283 K CB 0.951 33.549 32.500 0.162 0.000 1.124 283 K HN 0.865 nan 8.250 nan 0.000 0.469 284 A N 4.916 127.898 122.820 0.270 0.000 2.581 284 A HA 0.576 4.896 4.320 -0.000 0.000 0.290 284 A C -2.950 174.729 177.584 0.159 0.000 1.119 284 A CA -1.547 50.652 52.037 0.270 0.000 0.670 284 A CB 1.306 20.409 19.000 0.171 0.000 1.280 284 A HN 0.537 nan 8.150 nan 0.000 0.425 285 P HA 0.348 nan 4.420 nan 0.000 0.268 285 P C -0.788 176.515 177.300 0.006 0.000 1.204 285 P CA 0.542 63.645 63.100 0.005 0.000 0.768 285 P CB 0.293 31.930 31.700 -0.106 0.000 0.842 286 M N 2.694 122.300 119.600 0.011 0.000 2.518 286 M HA 0.420 4.900 4.480 -0.000 0.000 0.300 286 M C -0.281 176.000 176.300 -0.031 0.000 1.175 286 M CA -0.691 54.595 55.300 -0.023 0.000 0.890 286 M CB 1.987 34.583 32.600 -0.008 0.000 1.710 286 M HN 0.259 nan 8.290 nan 0.000 0.453 287 M N 3.077 122.634 119.600 -0.071 0.000 2.105 287 M HA 0.318 4.798 4.480 -0.000 0.000 0.350 287 M C -0.341 175.908 176.300 -0.085 0.000 1.308 287 M CA 0.048 55.319 55.300 -0.049 0.000 1.108 287 M CB 0.641 33.191 32.600 -0.084 0.000 1.622 287 M HN 0.546 nan 8.290 nan 0.000 0.468 288 Q N 1.614 121.383 119.800 -0.051 0.000 2.482 288 Q HA 0.592 4.931 4.340 -0.000 0.000 0.286 288 Q C -0.759 175.219 176.000 -0.038 0.000 1.007 288 Q CA -1.181 54.585 55.803 -0.063 0.000 0.801 288 Q CB 1.253 29.958 28.738 -0.056 0.000 1.455 288 Q HN 0.628 nan 8.270 nan 0.000 0.398 289 T N -1.713 112.815 114.554 -0.043 0.000 2.726 289 T HA 0.423 4.772 4.350 -0.000 0.000 0.294 289 T C 1.241 175.932 174.700 -0.015 0.000 1.013 289 T CA 0.020 62.103 62.100 -0.028 0.000 0.996 289 T CB 0.748 69.597 68.868 -0.033 0.000 1.016 289 T HN 0.788 nan 8.240 nan 0.000 0.529 290 A N 0.207 123.022 122.820 -0.008 0.000 2.019 290 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 290 A C 1.973 179.555 177.584 -0.004 0.000 1.164 290 A CA 1.394 53.430 52.037 -0.002 0.000 0.644 290 A CB -0.893 18.107 19.000 0.001 0.000 0.805 290 A HN 0.861 nan 8.150 nan 0.000 0.449 291 D N -1.378 119.016 120.400 -0.010 0.000 2.312 291 D HA 0.169 4.809 4.640 -0.000 0.000 0.211 291 D C 1.440 177.733 176.300 -0.012 0.000 0.964 291 D CA 1.366 55.360 54.000 -0.010 0.000 0.877 291 D CB 0.060 40.852 40.800 -0.012 0.000 0.924 291 D HN 0.615 nan 8.370 nan 0.000 0.515 292 G N 0.111 108.900 108.800 -0.018 0.000 2.148 292 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.203 292 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.203 292 G C 0.085 174.963 174.900 -0.038 0.000 0.993 292 G CA -0.415 44.672 45.100 -0.021 0.000 0.661 292 G HN 0.138 nan 8.290 nan 0.000 0.518 293 Q N 0.514 120.285 119.800 -0.048 0.000 2.288 293 Q HA 0.440 4.779 4.340 -0.000 0.000 0.254 293 Q C 0.832 176.765 176.000 -0.111 0.000 0.932 293 Q CA -0.427 55.333 55.803 -0.073 0.000 0.902 293 Q CB 1.211 29.912 28.738 -0.061 0.000 1.203 293 Q HN 0.363 nan 8.270 nan 0.000 0.415 294 I N 2.526 122.989 120.570 -0.179 0.000 2.452 294 I HA 0.043 4.212 4.170 -0.000 0.000 0.287 294 I C 1.056 177.042 176.117 -0.219 0.000 1.079 294 I CA 0.234 61.375 61.300 -0.265 0.000 1.387 294 I CB -0.246 37.434 38.000 -0.533 0.000 1.404 294 I HN 0.454 nan 8.210 nan 0.000 0.522 295 E N 5.476 125.569 120.200 -0.179 0.000 2.369 295 E HA 0.216 4.566 4.350 -0.000 0.000 0.255 295 E C -0.301 176.204 176.600 -0.159 0.000 1.172 295 E CA -0.622 55.692 56.400 -0.144 0.000 0.932 295 E CB 0.835 30.462 29.700 -0.120 0.000 1.040 295 E HN 0.480 nan 8.360 nan 0.000 0.454 296 E N 0.834 120.964 120.200 -0.116 0.000 2.249 296 E HA 0.187 4.537 4.350 -0.000 0.000 0.280 296 E C -0.545 176.002 176.600 -0.088 0.000 1.016 296 E CA -0.458 55.887 56.400 -0.091 0.000 0.830 296 E CB 1.426 31.098 29.700 -0.047 0.000 1.081 296 E HN 0.416 nan 8.360 nan 0.000 0.395 297 S N 2.248 117.901 115.700 -0.078 0.000 2.713 297 S HA 0.504 4.974 4.470 -0.000 0.000 0.277 297 S C -0.786 173.833 174.600 0.030 0.000 1.168 297 S CA -0.669 57.489 58.200 -0.070 0.000 0.994 297 S CB 0.873 64.023 63.200 -0.083 0.000 1.054 297 S HN 0.585 nan 8.310 nan 0.000 0.555 298 Y N -0.518 119.725 120.300 -0.094 0.000 2.552 298 Y HA 0.613 5.162 4.550 -0.000 0.000 0.337 298 Y C -0.972 174.880 175.900 -0.080 0.000 1.094 298 Y CA -0.325 57.724 58.100 -0.085 0.000 1.028 298 Y CB 1.662 40.056 38.460 -0.110 0.000 1.321 298 Y HN 1.057 nan 8.280 nan 0.000 0.456 299 S N 5.832 120.536 115.700 -1.660 0.000 2.578 299 S HA 0.282 4.752 4.470 -0.000 0.000 0.285 299 S C -0.020 174.011 174.600 -0.947 0.000 1.126 299 S CA -0.431 57.070 58.200 -1.165 0.000 0.878 299 S CB 0.843 63.765 63.200 -0.464 0.000 1.091 299 S HN 1.017 nan 8.310 nan 0.000 0.450 300 I N 3.369 123.631 120.570 -0.514 0.000 2.530 300 I HA -0.038 4.132 4.170 -0.000 0.000 0.257 300 I C 0.661 176.734 176.117 -0.074 0.000 1.179 300 I CA 1.404 62.625 61.300 -0.132 0.000 1.440 300 I CB -0.092 37.917 38.000 0.016 0.000 1.087 300 I HN 0.676 nan 8.210 nan 0.000 0.440 301 S N 0.326 115.980 115.700 -0.078 0.000 2.422 301 S HA 0.563 5.033 4.470 -0.000 0.000 0.308 301 S C 0.969 175.521 174.600 -0.081 0.000 1.097 301 S CA -0.266 57.915 58.200 -0.032 0.000 1.099 301 S CB 1.704 64.919 63.200 0.027 0.000 0.976 301 S HN 0.290 nan 8.310 nan 0.000 0.471 302 A N 4.061 126.859 122.820 -0.037 0.000 1.986 302 A HA 0.047 4.367 4.320 -0.000 0.000 0.220 302 A C 2.114 179.677 177.584 -0.035 0.000 1.171 302 A CA 1.786 53.805 52.037 -0.030 0.000 0.640 302 A CB -1.470 17.533 19.000 0.004 0.000 0.811 302 A HN 1.112 nan 8.150 nan 0.000 0.451 303 G N -0.776 108.006 108.800 -0.030 0.000 2.471 303 G HA2 -0.007 3.952 3.960 -0.000 0.000 0.219 303 G HA3 -0.007 3.952 3.960 -0.000 0.000 0.219 303 G C 1.287 176.148 174.900 -0.064 0.000 1.125 303 G CA 0.961 46.040 45.100 -0.034 0.000 0.775 303 G HN 0.479 nan 8.290 nan 0.000 0.548 304 L N -0.066 121.096 121.223 -0.101 0.000 2.693 304 L HA 0.231 4.571 4.340 -0.000 0.000 0.235 304 L C 0.456 177.282 176.870 -0.072 0.000 1.127 304 L CA -0.204 54.562 54.840 -0.123 0.000 0.914 304 L CB 0.393 42.292 42.059 -0.266 0.000 1.193 304 L HN -0.048 nan 8.230 nan 0.000 0.502 305 D N 1.245 121.605 120.400 -0.066 0.000 2.545 305 D HA 0.080 4.720 4.640 -0.000 0.000 0.227 305 D C -1.098 175.264 176.300 0.103 0.000 1.150 305 D CA 0.247 54.222 54.000 -0.042 0.000 1.046 305 D CB -0.127 40.626 40.800 -0.077 0.000 1.098 305 D HN -0.092 nan 8.370 nan 0.000 0.502 306 F N 3.295 123.191 119.950 -0.089 0.000 2.596 306 F HA 0.357 4.884 4.527 -0.000 0.000 0.311 306 F C -2.127 173.650 175.800 -0.039 0.000 1.116 306 F CA -2.270 55.689 58.000 -0.068 0.000 0.957 306 F CB 2.228 41.178 39.000 -0.083 0.000 1.250 306 F HN -0.083 nan 8.300 nan 0.000 0.444 307 P HA 0.080 nan 4.420 nan 0.000 0.249 307 P C -0.148 176.869 177.300 -0.472 0.000 1.241 307 P CA 0.708 63.542 63.100 -0.442 0.000 0.781 307 P CB 0.653 32.131 31.700 -0.369 0.000 1.088 308 S N -1.506 113.752 115.700 -0.735 0.000 2.911 308 S HA 0.700 5.170 4.470 -0.000 0.000 0.319 308 S C -1.406 173.197 174.600 0.005 0.000 1.154 308 S CA -0.641 57.377 58.200 -0.304 0.000 0.857 308 S CB 1.558 64.629 63.200 -0.214 0.000 1.279 308 S HN -0.107 nan 8.310 nan 0.000 0.593 309 V N 0.131 120.113 119.914 0.114 0.000 3.204 309 V HA 0.715 4.835 4.120 -0.000 0.000 0.298 309 V C 0.116 176.289 176.094 0.132 0.000 1.328 309 V CA 0.037 62.408 62.300 0.118 0.000 1.035 309 V CB 1.386 33.178 31.823 -0.051 0.000 1.095 309 V HN 1.176 nan 8.190 nan 0.000 0.442 310 G N 4.020 112.906 108.800 0.144 0.000 2.484 310 G HA2 0.336 4.296 3.960 -0.000 0.000 0.235 310 G HA3 0.336 4.296 3.960 -0.000 0.000 0.235 310 G C -1.297 173.623 174.900 0.034 0.000 1.282 310 G CA -0.026 45.148 45.100 0.124 0.000 0.857 310 G HN 0.698 nan 8.290 nan 0.000 0.571 311 P HA -0.164 nan 4.420 nan 0.000 0.218 311 P C 1.403 178.644 177.300 -0.098 0.000 1.149 311 P CA 1.090 64.233 63.100 0.071 0.000 0.817 311 P CB 0.258 32.144 31.700 0.309 0.000 0.785 312 Q N -1.000 118.489 119.800 -0.518 0.000 2.167 312 Q HA -0.180 4.159 4.340 -0.000 0.000 0.202 312 Q C 2.293 178.135 176.000 -0.263 0.000 0.970 312 Q CA 1.177 56.545 55.803 -0.725 0.000 0.855 312 Q CB -0.307 27.733 28.738 -1.163 0.000 0.911 312 Q HN 0.352 nan 8.270 nan 0.000 0.438 313 H N -0.726 118.259 119.070 -0.142 0.000 2.395 313 H HA -0.013 4.542 4.556 -0.000 0.000 0.299 313 H C 1.934 177.077 175.328 -0.308 0.000 1.070 313 H CA 1.286 57.270 56.048 -0.107 0.000 1.356 313 H CB -0.087 29.561 29.762 -0.191 0.000 1.401 313 H HN 0.430 nan 8.280 nan 0.000 0.524 314 A N 0.810 123.443 122.820 -0.310 0.000 1.933 314 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 314 A C 2.287 179.614 177.584 -0.429 0.000 1.175 314 A CA 1.520 53.149 52.037 -0.680 0.000 0.628 314 A CB -0.895 17.285 19.000 -1.367 0.000 0.814 314 A HN 0.449 nan 8.150 nan 0.000 0.444 315 Y N 0.432 120.653 120.300 -0.130 0.000 2.133 315 Y HA -0.097 4.453 4.550 -0.000 0.000 0.287 315 Y C 1.959 177.966 175.900 0.178 0.000 1.134 315 Y CA 1.682 59.942 58.100 0.267 0.000 1.133 315 Y CB -0.471 38.217 38.460 0.380 0.000 0.987 315 Y HN 0.190 nan 8.280 nan 0.000 0.502 316 L N 0.691 121.930 121.223 0.027 0.000 2.079 316 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 316 L C 2.529 179.422 176.870 0.038 0.000 1.081 316 L CA 1.889 56.722 54.840 -0.012 0.000 0.752 316 L CB -0.729 41.440 42.059 0.182 0.000 0.896 316 L HN 0.455 nan 8.230 nan 0.000 0.433 317 N N -0.700 118.075 118.700 0.124 0.000 2.216 317 N HA -0.201 4.538 4.740 -0.000 0.000 0.183 317 N C 2.081 177.610 175.510 0.032 0.000 1.017 317 N CA 1.282 54.421 53.050 0.149 0.000 0.861 317 N CB 0.164 38.678 38.487 0.044 0.000 0.986 317 N HN 0.177 nan 8.380 nan 0.000 0.428 318 S N 1.294 116.998 115.700 0.006 0.000 2.370 318 S HA -0.115 4.354 4.470 -0.000 0.000 0.226 318 S C 2.012 176.599 174.600 -0.021 0.000 1.033 318 S CA 1.280 59.512 58.200 0.053 0.000 1.011 318 S CB -0.449 62.889 63.200 0.230 0.000 0.852 318 S HN 0.521 nan 8.310 nan 0.000 0.457 319 I N -2.250 118.233 120.570 -0.146 0.000 3.684 319 I HA 0.384 4.554 4.170 -0.000 0.000 0.304 319 I C 1.373 177.443 176.117 -0.078 0.000 1.278 319 I CA 0.595 61.811 61.300 -0.139 0.000 1.272 319 I CB -0.729 37.105 38.000 -0.275 0.000 1.029 319 I HN 0.431 nan 8.210 nan 0.000 0.458 320 G N 2.465 111.234 108.800 -0.052 0.000 2.143 320 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.248 320 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.248 320 G C 0.938 175.812 174.900 -0.043 0.000 0.991 320 G CA 0.617 45.699 45.100 -0.029 0.000 0.689 320 G HN 0.517 nan 8.290 nan 0.000 0.522 321 R N 0.620 121.086 120.500 -0.057 0.000 2.090 321 R HA 0.519 4.859 4.340 -0.000 0.000 0.228 321 R C 1.346 177.584 176.300 -0.104 0.000 1.110 321 R CA 2.204 58.266 56.100 -0.064 0.000 0.973 321 R CB -0.240 30.032 30.300 -0.047 0.000 0.869 321 R HN 1.185 nan 8.270 nan 0.000 0.440 322 A N 0.245 123.018 122.820 -0.078 0.000 2.365 322 A HA 0.539 4.859 4.320 -0.000 0.000 0.318 322 A C -1.520 175.952 177.584 -0.187 0.000 1.091 322 A CA -0.885 51.028 52.037 -0.205 0.000 0.763 322 A CB 1.125 20.026 19.000 -0.165 0.000 1.248 322 A HN 0.272 nan 8.150 nan 0.000 0.442 323 D N 0.719 120.907 120.400 -0.354 0.000 2.185 323 D HA 0.520 5.160 4.640 -0.000 0.000 0.247 323 D C -1.372 174.639 176.300 -0.481 0.000 1.027 323 D CA 0.511 54.369 54.000 -0.237 0.000 0.861 323 D CB 1.389 42.099 40.800 -0.151 0.000 1.202 323 D HN 0.428 nan 8.370 nan 0.000 0.453 324 Y N -0.020 120.244 120.300 -0.061 0.000 2.446 324 Y HA 0.441 4.991 4.550 -0.000 0.000 0.345 324 Y C 0.534 176.366 175.900 -0.114 0.000 0.984 324 Y CA -0.873 57.180 58.100 -0.078 0.000 1.058 324 Y CB 1.854 40.274 38.460 -0.067 0.000 1.220 324 Y HN 0.141 nan 8.280 nan 0.000 0.455 325 V N -1.171 118.717 119.914 -0.043 0.000 3.156 325 V HA 0.954 5.074 4.120 -0.000 0.000 0.310 325 V C -0.593 175.482 176.094 -0.033 0.000 1.234 325 V CA -1.078 61.167 62.300 -0.091 0.000 1.065 325 V CB 1.668 33.292 31.823 -0.333 0.000 1.088 325 V HN 0.753 nan 8.190 nan 0.000 0.451 326 S N 0.416 116.122 115.700 0.011 0.000 2.599 326 S HA 0.881 5.351 4.470 -0.000 0.000 0.287 326 S C -1.202 173.453 174.600 0.091 0.000 1.105 326 S CA -0.728 57.507 58.200 0.058 0.000 0.899 326 S CB 2.018 65.258 63.200 0.068 0.000 1.100 326 S HN 0.873 nan 8.310 nan 0.000 0.482 327 I N 2.626 123.282 120.570 0.144 0.000 2.534 327 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 327 I C 0.703 176.907 176.117 0.144 0.000 1.077 327 I CA -0.149 61.237 61.300 0.143 0.000 1.051 327 I CB 2.000 40.089 38.000 0.149 0.000 1.234 327 I HN 1.079 nan 8.210 nan 0.000 0.425 328 T N 0.984 115.584 114.554 0.077 0.000 2.726 328 T HA 0.168 4.518 4.350 -0.000 0.000 0.294 328 T C 0.926 175.634 174.700 0.014 0.000 1.013 328 T CA -0.351 61.797 62.100 0.080 0.000 0.996 328 T CB 1.169 70.085 68.868 0.079 0.000 1.016 328 T HN 0.443 nan 8.240 nan 0.000 0.529 329 D N 0.580 121.020 120.400 0.067 0.000 2.106 329 D HA -0.103 4.537 4.640 -0.000 0.000 0.191 329 D C 1.802 178.091 176.300 -0.018 0.000 0.997 329 D CA 1.420 55.439 54.000 0.032 0.000 0.834 329 D CB -0.419 40.459 40.800 0.131 0.000 0.956 329 D HN 0.613 nan 8.370 nan 0.000 0.448 330 D N 0.507 120.925 120.400 0.029 0.000 2.123 330 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 330 D C 1.969 178.261 176.300 -0.012 0.000 0.992 330 D CA 0.780 54.789 54.000 0.015 0.000 0.833 330 D CB -0.244 40.577 40.800 0.036 0.000 0.954 330 D HN 0.412 nan 8.370 nan 0.000 0.455 331 E N 0.415 120.601 120.200 -0.023 0.000 2.110 331 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 331 E C 2.086 178.640 176.600 -0.076 0.000 0.988 331 E CA 0.935 57.316 56.400 -0.031 0.000 0.804 331 E CB -0.028 29.665 29.700 -0.011 0.000 0.745 331 E HN 0.200 nan 8.360 nan 0.000 0.458 332 A N 1.015 123.719 122.820 -0.194 0.000 1.930 332 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 332 A C 2.155 179.698 177.584 -0.068 0.000 1.175 332 A CA 0.910 52.781 52.037 -0.277 0.000 0.627 332 A CB -0.501 18.046 19.000 -0.756 0.000 0.815 332 A HN 0.127 nan 8.150 nan 0.000 0.443 333 L N -0.668 120.523 121.223 -0.053 0.000 2.056 333 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 333 L C 2.753 179.673 176.870 0.082 0.000 1.078 333 L CA 1.550 56.390 54.840 -0.001 0.000 0.749 333 L CB -0.359 41.676 42.059 -0.039 0.000 0.901 333 L HN 0.488 nan 8.230 nan 0.000 0.433 334 E N 0.665 120.894 120.200 0.048 0.000 2.110 334 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 334 E C 2.072 178.721 176.600 0.081 0.000 0.988 334 E CA 1.397 57.833 56.400 0.061 0.000 0.804 334 E CB 0.145 29.863 29.700 0.030 0.000 0.745 334 E HN 0.439 nan 8.360 nan 0.000 0.458 335 A N 0.510 123.372 122.820 0.070 0.000 1.930 335 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 335 A C 2.063 179.710 177.584 0.104 0.000 1.175 335 A CA 1.100 53.177 52.037 0.066 0.000 0.627 335 A CB -0.893 18.132 19.000 0.043 0.000 0.815 335 A HN 0.408 nan 8.150 nan 0.000 0.443 336 F N 1.022 120.966 119.950 -0.010 0.000 2.095 336 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 336 F C 2.142 177.944 175.800 0.004 0.000 1.104 336 F CA 2.258 60.257 58.000 -0.002 0.000 1.232 336 F CB -0.158 38.838 39.000 -0.006 0.000 0.987 336 F HN 0.120 nan 8.300 nan 0.000 0.475 337 K N -0.666 119.932 120.400 0.330 0.000 2.097 337 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 337 K C 2.020 178.667 176.600 0.078 0.000 1.050 337 K CA 1.775 58.182 56.287 0.199 0.000 0.938 337 K CB -0.616 31.992 32.500 0.181 0.000 0.718 337 K HN 0.246 nan 8.250 nan 0.000 0.442 338 T N 2.016 116.630 114.554 0.101 0.000 2.746 338 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 338 T C 1.762 176.526 174.700 0.107 0.000 1.039 338 T CA 1.030 63.222 62.100 0.153 0.000 1.142 338 T CB -0.174 68.749 68.868 0.092 0.000 0.866 338 T HN 0.060 nan 8.240 nan 0.000 0.444 339 L N 0.580 121.800 121.223 -0.006 0.000 2.056 339 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 339 L C 2.570 179.370 176.870 -0.116 0.000 1.078 339 L CA 1.483 56.286 54.840 -0.061 0.000 0.749 339 L CB -0.780 41.211 42.059 -0.115 0.000 0.901 339 L HN 0.323 nan 8.230 nan 0.000 0.433 340 C N -0.287 118.895 119.300 -0.196 0.000 2.413 340 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 340 C C 2.773 177.669 174.990 -0.156 0.000 1.228 340 C CA 1.143 60.037 59.018 -0.207 0.000 1.731 340 C CB -1.067 26.534 27.740 -0.232 0.000 2.042 340 C HN 0.496 nan 8.230 nan 0.000 0.468 341 R N -0.758 119.638 120.500 -0.174 0.000 2.153 341 R HA -0.010 4.329 4.340 -0.000 0.000 0.218 341 R C 1.686 177.676 176.300 -0.517 0.000 1.072 341 R CA 0.830 56.730 56.100 -0.333 0.000 0.990 341 R CB -0.253 29.801 30.300 -0.410 0.000 0.889 341 R HN 0.703 nan 8.270 nan 0.000 0.452 342 H N -0.776 118.266 119.070 -0.048 0.000 2.874 342 H HA 0.214 4.769 4.556 -0.000 0.000 0.264 342 H C 0.807 176.104 175.328 -0.051 0.000 1.007 342 H CA 0.325 56.346 56.048 -0.044 0.000 1.207 342 H CB 1.126 30.864 29.762 -0.040 0.000 1.487 342 H HN 0.108 nan 8.280 nan 0.000 0.505 343 E N -0.214 119.991 120.200 0.007 0.000 2.606 343 E HA 0.142 4.492 4.350 -0.000 0.000 0.224 343 E C 1.137 177.708 176.600 -0.048 0.000 0.930 343 E CA 0.418 56.807 56.400 -0.019 0.000 1.125 343 E CB 1.251 30.937 29.700 -0.023 0.000 1.123 343 E HN 0.457 nan 8.360 nan 0.000 0.522 344 G N 2.289 111.046 108.800 -0.072 0.000 2.198 344 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 344 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 344 G C 0.194 175.044 174.900 -0.083 0.000 1.025 344 G CA 0.632 45.685 45.100 -0.078 0.000 0.769 344 G HN 0.237 nan 8.290 nan 0.000 0.507 345 I N 0.101 120.609 120.570 -0.103 0.000 2.498 345 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 345 I C 0.308 176.312 176.117 -0.189 0.000 1.032 345 I CA -1.129 60.104 61.300 -0.111 0.000 1.073 345 I CB 1.915 39.866 38.000 -0.082 0.000 1.251 345 I HN -0.076 nan 8.210 nan 0.000 0.426 346 I N 8.066 128.518 120.570 -0.196 0.000 2.307 346 I HA 0.296 4.466 4.170 -0.000 0.000 0.287 346 I C -2.210 173.759 176.117 -0.246 0.000 1.054 346 I CA -1.701 59.403 61.300 -0.327 0.000 1.218 346 I CB 0.960 38.829 38.000 -0.218 0.000 1.398 346 I HN 0.235 nan 8.210 nan 0.000 0.475 347 P HA 0.275 nan 4.420 nan 0.000 0.284 347 P C -0.504 176.842 177.300 0.076 0.000 1.258 347 P CA -0.390 62.652 63.100 -0.097 0.000 0.824 347 P CB 1.598 33.246 31.700 -0.087 0.000 1.038 348 A N 2.674 125.568 122.820 0.124 0.000 2.425 348 A HA 0.119 4.439 4.320 -0.000 0.000 0.242 348 A C 1.706 179.440 177.584 0.249 0.000 1.077 348 A CA -0.313 51.835 52.037 0.185 0.000 0.781 348 A CB -0.613 18.465 19.000 0.129 0.000 1.020 348 A HN 0.644 nan 8.150 nan 0.000 0.494 349 L N 0.501 121.874 121.223 0.250 0.000 2.191 349 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 349 L C 2.259 179.301 176.870 0.287 0.000 1.103 349 L CA 1.467 56.451 54.840 0.239 0.000 0.769 349 L CB -0.394 41.737 42.059 0.120 0.000 0.908 349 L HN 0.846 nan 8.230 nan 0.000 0.438 350 E N -0.207 120.105 120.200 0.186 0.000 2.028 350 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 350 E C 2.302 179.003 176.600 0.168 0.000 0.988 350 E CA 1.558 58.028 56.400 0.116 0.000 0.799 350 E CB -0.230 29.493 29.700 0.039 0.000 0.755 350 E HN 0.269 nan 8.360 nan 0.000 0.447 351 S N 0.508 116.290 115.700 0.136 0.000 2.400 351 S HA -0.156 4.313 4.470 -0.000 0.000 0.232 351 S C 2.053 176.738 174.600 0.142 0.000 1.025 351 S CA 1.138 59.403 58.200 0.109 0.000 0.993 351 S CB -0.331 62.919 63.200 0.084 0.000 0.808 351 S HN 0.125 nan 8.310 nan 0.000 0.478 352 S N 0.874 116.685 115.700 0.185 0.000 2.419 352 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 352 S C 1.547 176.208 174.600 0.103 0.000 1.019 352 S CA 1.174 59.462 58.200 0.147 0.000 0.982 352 S CB -0.358 62.959 63.200 0.195 0.000 0.789 352 S HN 0.599 nan 8.310 nan 0.000 0.490 353 H N 1.379 120.488 119.070 0.065 0.000 2.357 353 H HA 0.134 4.690 4.556 -0.000 0.000 0.301 353 H C 2.323 177.692 175.328 0.069 0.000 1.082 353 H CA 1.301 57.383 56.048 0.057 0.000 1.342 353 H CB -0.466 29.315 29.762 0.031 0.000 1.389 353 H HN 0.407 nan 8.280 nan 0.000 0.511 354 A N 0.654 123.586 122.820 0.186 0.000 1.858 354 A HA -0.131 4.188 4.320 -0.000 0.000 0.216 354 A C 2.268 179.926 177.584 0.122 0.000 1.190 354 A CA 1.522 53.639 52.037 0.133 0.000 0.617 354 A CB -0.873 18.179 19.000 0.087 0.000 0.827 354 A HN 0.346 nan 8.150 nan 0.000 0.443 355 L N -0.051 121.226 121.223 0.091 0.000 2.079 355 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 355 L C 2.623 179.525 176.870 0.052 0.000 1.081 355 L CA 2.227 57.103 54.840 0.060 0.000 0.752 355 L CB -0.829 41.256 42.059 0.043 0.000 0.896 355 L HN 0.368 nan 8.230 nan 0.000 0.433 356 A N -1.382 121.474 122.820 0.060 0.000 1.908 356 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 356 A C 2.296 179.914 177.584 0.057 0.000 1.181 356 A CA 1.892 53.953 52.037 0.041 0.000 0.627 356 A CB -1.047 17.961 19.000 0.014 0.000 0.818 356 A HN 0.707 nan 8.150 nan 0.000 0.445 357 H N -0.127 118.956 119.070 0.021 0.000 2.353 357 H HA 0.069 4.625 4.556 -0.000 0.000 0.300 357 H C 2.222 177.554 175.328 0.007 0.000 1.090 357 H CA 1.734 57.793 56.048 0.018 0.000 1.327 357 H CB -0.303 29.475 29.762 0.027 0.000 1.383 357 H HN 0.394 nan 8.280 nan 0.000 0.508 358 A N 0.580 123.396 122.820 -0.007 0.000 1.883 358 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 358 A C 2.515 180.041 177.584 -0.096 0.000 1.186 358 A CA 1.697 53.701 52.037 -0.054 0.000 0.624 358 A CB -0.974 18.031 19.000 0.008 0.000 0.822 358 A HN 0.478 nan 8.150 nan 0.000 0.444 359 L N -0.798 120.385 121.223 -0.066 0.000 2.131 359 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 359 L C 2.612 179.426 176.870 -0.093 0.000 1.092 359 L CA 1.830 56.630 54.840 -0.066 0.000 0.759 359 L CB -0.406 41.629 42.059 -0.040 0.000 0.903 359 L HN 0.502 nan 8.230 nan 0.000 0.435 360 K N 0.559 120.878 120.400 -0.135 0.000 2.031 360 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 360 K C 2.208 178.699 176.600 -0.183 0.000 1.049 360 K CA 1.209 57.405 56.287 -0.152 0.000 0.939 360 K CB -0.034 32.355 32.500 -0.184 0.000 0.717 360 K HN 0.157 nan 8.250 nan 0.000 0.438 361 M N 0.573 120.010 119.600 -0.272 0.000 2.149 361 M HA -0.207 4.272 4.480 -0.000 0.000 0.261 361 M C 2.410 178.641 176.300 -0.115 0.000 1.064 361 M CA 1.725 56.901 55.300 -0.208 0.000 1.102 361 M CB -0.215 32.255 32.600 -0.216 0.000 1.369 361 M HN 0.365 nan 8.290 nan 0.000 0.408 362 M N 0.066 119.606 119.600 -0.100 0.000 2.134 362 M HA -0.143 4.336 4.480 -0.000 0.000 0.262 362 M C 2.114 178.376 176.300 -0.063 0.000 1.076 362 M CA 1.719 56.977 55.300 -0.070 0.000 1.143 362 M CB -0.111 32.451 32.600 -0.064 0.000 1.346 362 M HN 0.043 nan 8.290 nan 0.000 0.421 363 R N 0.375 120.835 120.500 -0.066 0.000 2.081 363 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 363 R C 2.002 178.273 176.300 -0.048 0.000 1.131 363 R CA 2.023 58.091 56.100 -0.054 0.000 0.960 363 R CB -0.403 29.866 30.300 -0.052 0.000 0.856 363 R HN 0.580 nan 8.270 nan 0.000 0.436 364 E N 0.359 120.527 120.200 -0.054 0.000 2.150 364 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 364 E C 0.201 176.779 176.600 -0.036 0.000 0.985 364 E CA 0.853 57.228 56.400 -0.043 0.000 0.814 364 E CB 0.210 29.882 29.700 -0.047 0.000 0.752 364 E HN 0.411 nan 8.360 nan 0.000 0.466 365 Q N -0.081 119.695 119.800 -0.040 0.000 3.484 365 Q HA 0.127 4.467 4.340 -0.000 0.000 0.255 365 Q C -2.204 173.776 176.000 -0.034 0.000 0.909 365 Q CA -1.141 54.642 55.803 -0.032 0.000 0.774 365 Q CB 1.408 30.128 28.738 -0.031 0.000 1.431 365 Q HN 0.062 nan 8.270 nan 0.000 0.423 366 P HA -0.153 nan 4.420 nan 0.000 0.225 366 P C 0.364 177.648 177.300 -0.028 0.000 1.148 366 P CA 1.142 64.222 63.100 -0.033 0.000 0.779 366 P CB 0.576 32.257 31.700 -0.033 0.000 0.780 367 E N -0.274 119.912 120.200 -0.024 0.000 2.481 367 E HA 0.078 4.428 4.350 -0.000 0.000 0.198 367 E C 0.685 177.274 176.600 -0.018 0.000 1.027 367 E CA -0.093 56.295 56.400 -0.019 0.000 0.900 367 E CB 0.061 29.752 29.700 -0.016 0.000 0.993 367 E HN 0.351 nan 8.360 nan 0.000 0.482 368 K N 2.096 122.484 120.400 -0.021 0.000 2.312 368 K HA 0.048 4.368 4.320 -0.000 0.000 0.287 368 K C -0.068 176.521 176.600 -0.019 0.000 1.062 368 K CA -0.121 56.154 56.287 -0.020 0.000 0.934 368 K CB 0.600 33.087 32.500 -0.023 0.000 1.027 368 K HN -0.133 nan 8.250 nan 0.000 0.478 369 E N 4.612 124.804 120.200 -0.014 0.000 2.290 369 E HA -0.015 4.335 4.350 -0.000 0.000 0.277 369 E C -1.218 175.375 176.600 -0.011 0.000 1.035 369 E CA -0.153 56.240 56.400 -0.011 0.000 0.873 369 E CB 0.599 30.295 29.700 -0.007 0.000 1.029 369 E HN 0.636 nan 8.360 nan 0.000 0.419 370 Q N 3.684 123.478 119.800 -0.009 0.000 2.327 370 Q HA 0.303 4.642 4.340 -0.000 0.000 0.265 370 Q C -1.798 174.204 176.000 0.003 0.000 0.993 370 Q CA -1.010 54.788 55.803 -0.010 0.000 0.885 370 Q CB 0.939 29.665 28.738 -0.020 0.000 1.379 370 Q HN 0.463 nan 8.270 nan 0.000 0.408 371 L N 3.931 125.160 121.223 0.008 0.000 2.257 371 L HA 0.553 4.893 4.340 -0.000 0.000 0.290 371 L C -1.699 175.184 176.870 0.021 0.000 1.044 371 L CA -0.277 54.586 54.840 0.038 0.000 0.810 371 L CB 0.836 42.917 42.059 0.036 0.000 1.193 371 L HN 0.742 nan 8.230 nan 0.000 0.425 372 L N 5.474 126.728 121.223 0.051 0.000 2.354 372 L HA 0.748 5.088 4.340 -0.000 0.000 0.269 372 L C -0.925 175.991 176.870 0.076 0.000 1.005 372 L CA -1.074 53.783 54.840 0.028 0.000 0.819 372 L CB 2.226 44.293 42.059 0.013 0.000 1.311 372 L HN 0.199 nan 8.230 nan 0.000 0.423 373 V N 2.516 122.451 119.914 0.034 0.000 2.531 373 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 373 V C -0.323 175.806 176.094 0.059 0.000 1.034 373 V CA -0.635 61.706 62.300 0.068 0.000 0.865 373 V CB 2.313 34.150 31.823 0.024 0.000 0.995 373 V HN 0.426 nan 8.190 nan 0.000 0.424 374 V N 4.302 124.261 119.914 0.076 0.000 2.398 374 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 374 V C 0.396 176.530 176.094 0.067 0.000 1.026 374 V CA -0.608 61.733 62.300 0.068 0.000 0.868 374 V CB 1.656 33.514 31.823 0.059 0.000 0.982 374 V HN 0.932 nan 8.190 nan 0.000 0.443 375 N N 4.004 122.738 118.700 0.057 0.000 2.399 375 N HA 0.146 4.886 4.740 -0.000 0.000 0.259 375 N C -0.467 175.059 175.510 0.027 0.000 1.160 375 N CA -0.650 52.423 53.050 0.038 0.000 0.946 375 N CB 0.553 39.040 38.487 0.000 0.000 1.156 375 N HN 0.511 nan 8.380 nan 0.000 0.489 376 L N 4.868 126.115 121.223 0.040 0.000 2.399 376 L HA 0.085 4.424 4.340 -0.000 0.000 0.257 376 L C 1.614 178.512 176.870 0.047 0.000 1.236 376 L CA 0.131 54.995 54.840 0.040 0.000 1.144 376 L CB -0.085 41.995 42.059 0.036 0.000 1.379 376 L HN 0.586 nan 8.230 nan 0.000 0.414 377 S N 0.741 116.459 115.700 0.031 0.000 2.423 377 S HA -0.001 4.469 4.470 -0.000 0.000 0.238 377 S C 0.945 175.644 174.600 0.165 0.000 1.028 377 S CA 0.720 58.956 58.200 0.062 0.000 1.000 377 S CB -0.466 62.708 63.200 -0.044 0.000 0.797 377 S HN 0.666 nan 8.310 nan 0.000 0.487 378 G N 0.512 109.379 108.800 0.112 0.000 2.623 378 G HA2 0.561 4.521 3.960 -0.000 0.000 0.290 378 G HA3 0.561 4.521 3.960 -0.000 0.000 0.290 378 G C -1.272 173.667 174.900 0.065 0.000 1.437 378 G CA -1.292 43.867 45.100 0.098 0.000 0.798 378 G HN 0.478 nan 8.290 nan 0.000 0.488 379 R N -0.883 119.645 120.500 0.048 0.000 2.528 379 R HA 0.630 4.969 4.340 -0.000 0.000 0.271 379 R C 0.758 177.090 176.300 0.054 0.000 1.056 379 R CA -0.130 55.987 56.100 0.027 0.000 1.117 379 R CB 1.294 31.599 30.300 0.009 0.000 1.085 379 R HN 0.656 nan 8.270 nan 0.000 0.530 380 G N 0.472 109.306 108.800 0.057 0.000 3.448 380 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.261 380 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.261 380 G C -0.108 174.858 174.900 0.111 0.000 1.173 380 G CA -0.299 44.894 45.100 0.154 0.000 0.835 380 G HN 0.700 nan 8.290 nan 0.000 0.534 381 D N 1.479 121.902 120.400 0.039 0.000 2.158 381 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 381 D C 2.471 178.764 176.300 -0.011 0.000 0.995 381 D CA 1.324 55.319 54.000 -0.008 0.000 0.846 381 D CB 0.087 40.882 40.800 -0.008 0.000 0.941 381 D HN 0.587 nan 8.370 nan 0.000 0.456 382 K N 0.145 120.571 120.400 0.043 0.000 2.362 382 K HA -0.072 4.248 4.320 -0.000 0.000 0.200 382 K C 0.479 177.126 176.600 0.078 0.000 1.046 382 K CA 1.153 57.486 56.287 0.076 0.000 0.952 382 K CB 0.237 32.786 32.500 0.081 0.000 0.753 382 K HN 0.059 nan 8.250 nan 0.000 0.466 383 D N 0.677 121.111 120.400 0.056 0.000 2.369 383 D HA 0.074 4.714 4.640 -0.000 0.000 0.211 383 D C 1.586 177.851 176.300 -0.059 0.000 1.077 383 D CA -0.032 53.983 54.000 0.026 0.000 0.842 383 D CB 0.339 41.166 40.800 0.044 0.000 0.947 383 D HN 0.111 nan 8.370 nan 0.000 0.509 384 I N 0.786 121.269 120.570 -0.146 0.000 2.163 384 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 384 I C 2.083 178.023 176.117 -0.296 0.000 1.085 384 I CA 1.261 62.394 61.300 -0.278 0.000 1.347 384 I CB -1.164 36.514 38.000 -0.538 0.000 1.044 384 I HN -0.052 nan 8.210 nan 0.000 0.408 385 F N 1.094 121.060 119.950 0.027 0.000 2.146 385 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 385 F C 2.726 178.560 175.800 0.056 0.000 1.096 385 F CA 1.313 59.328 58.000 0.024 0.000 1.275 385 F CB -1.774 37.222 39.000 -0.007 0.000 1.008 385 F HN 0.004 nan 8.300 nan 0.000 0.480 386 T N 0.034 114.690 114.554 0.170 0.000 2.674 386 T HA -0.143 4.207 4.350 -0.000 0.000 0.265 386 T C 2.293 177.002 174.700 0.016 0.000 1.039 386 T CA 1.650 63.804 62.100 0.090 0.000 1.150 386 T CB -0.636 68.258 68.868 0.045 0.000 0.864 386 T HN 0.032 nan 8.240 nan 0.000 0.427 387 V N 1.528 121.388 119.914 -0.091 0.000 2.407 387 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 387 V C 2.400 178.458 176.094 -0.060 0.000 1.055 387 V CA 1.791 63.975 62.300 -0.194 0.000 1.049 387 V CB -0.778 30.743 31.823 -0.504 0.000 0.662 387 V HN 0.638 nan 8.190 nan 0.000 0.455 388 H N 0.643 119.677 119.070 -0.060 0.000 2.293 388 H HA -0.186 4.370 4.556 -0.000 0.000 0.300 388 H C 2.054 177.390 175.328 0.014 0.000 1.082 388 H CA 2.170 58.214 56.048 -0.008 0.000 1.308 388 H CB -0.180 29.596 29.762 0.024 0.000 1.375 388 H HN 0.393 nan 8.280 nan 0.000 0.495 389 D N 0.608 121.109 120.400 0.169 0.000 2.149 389 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 389 D C 2.536 178.828 176.300 -0.013 0.000 0.990 389 D CA 1.039 55.098 54.000 0.099 0.000 0.839 389 D CB -0.169 40.720 40.800 0.149 0.000 0.948 389 D HN 0.497 nan 8.370 nan 0.000 0.460 390 I N 0.381 120.940 120.570 -0.019 0.000 2.233 390 I HA -0.175 3.994 4.170 -0.000 0.000 0.243 390 I C 2.299 178.379 176.117 -0.062 0.000 1.093 390 I CA 0.589 61.871 61.300 -0.029 0.000 1.380 390 I CB -0.124 37.861 38.000 -0.025 0.000 1.067 390 I HN -0.048 nan 8.210 nan 0.000 0.413 391 L N 1.025 122.189 121.223 -0.098 0.000 2.362 391 L HA -0.184 4.156 4.340 -0.000 0.000 0.219 391 L C 3.027 179.815 176.870 -0.137 0.000 1.134 391 L CA 1.155 55.933 54.840 -0.103 0.000 0.807 391 L CB -0.915 41.084 42.059 -0.099 0.000 0.927 391 L HN 0.268 nan 8.230 nan 0.000 0.447 392 K N 0.554 120.832 120.400 -0.204 0.000 2.044 392 K HA 0.114 4.434 4.320 -0.000 0.000 0.204 392 K C 2.104 178.650 176.600 -0.089 0.000 1.049 392 K CA 1.056 57.226 56.287 -0.195 0.000 0.945 392 K CB -0.986 31.354 32.500 -0.268 0.000 0.724 392 K HN 0.337 nan 8.250 nan 0.000 0.440 393 A N 0.746 123.529 122.820 -0.062 0.000 2.248 393 A HA -0.014 4.306 4.320 -0.000 0.000 0.210 393 A C 2.095 179.662 177.584 -0.029 0.000 1.174 393 A CA 1.198 53.216 52.037 -0.031 0.000 0.750 393 A CB -0.256 18.734 19.000 -0.017 0.000 0.780 393 A HN 0.537 nan 8.150 nan 0.000 0.478 394 R N -1.846 118.631 120.500 -0.038 0.000 2.394 394 R HA 0.362 4.702 4.340 -0.000 0.000 0.220 394 R C 0.443 176.727 176.300 -0.027 0.000 0.887 394 R CA 0.518 56.602 56.100 -0.028 0.000 1.034 394 R CB 0.691 30.976 30.300 -0.025 0.000 1.179 394 R HN 0.593 nan 8.270 nan 0.000 0.561 395 G N 0.492 109.268 108.800 -0.039 0.000 2.906 395 G HA2 0.267 4.227 3.960 -0.000 0.000 0.686 395 G HA3 0.267 4.227 3.960 -0.000 0.000 0.686 395 G C -0.732 174.147 174.900 -0.035 0.000 1.170 395 G CA -0.391 44.690 45.100 -0.032 0.000 0.775 395 G HN 0.363 nan 8.290 nan 0.000 0.630 396 E N 0.000 120.179 120.200 -0.034 0.000 2.725 396 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 396 E CA 0.000 nan 56.400 nan 0.000 0.976 396 E CB 0.000 nan 29.700 nan 0.000 0.812 396 E HN 0.000 nan 8.360 nan 0.000 0.440