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 1jju_1_A DATA FIRST_RESID 1 DATA SEQUENCE VTGEEVLQNA CAACHVQHED GRWERIDAAR KTPEGWDMTV TRMMRNHGVA DATA SEQUENCE LEPEERAAIV RHLSDTRGLS LAETEERRYI LEREPVAWDE GPDTSMTQTC DATA SEQUENCE GRCHSYARVA LQRRTPEDWK HLVNFHLGQF PTLEYQALAR DRDWWGIAQA DATA SEQUENCE EIIPFLARTY PLGEAPDAYA DDASGAYVLA GRQPGRGDYT GRLVLKKAGE DATA SEQUENCE DYEVTMTLDF ADGSRSFSGT GRILGAGEWR ATLSDGTVTI RQIFALQDGR DATA SEQUENCE FSGRWHDADS DVIGGRLAAV KADAAPQVLA VAPARLKIGE ETQLRVAGTG DATA SEQUENCE LGSDLTLPEG VAGSVESAGN GVTVLKLTAT GTPGPVSLEL GGQKVDLVAY DATA SEQUENCE DRPDRISIVP DLTIARIGGN GGPIPKVPAQ FEAMGWLNGP DGQPGTGDDI DATA SEQUENCE ALGAFPASWA TDNFDEEAEK MQDAKYAGSI DDTGLFTPAE AGPNPERPMQ DATA SEQUENCE TNNAGNLKVI ATVDAEGEPL SAEAHLYATV QRFVDAPIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.064 176.094 -0.049 0.000 1.182 1 V CA 0.000 62.274 62.300 -0.043 0.000 1.235 1 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 2 T N 0.261 114.778 114.554 -0.062 0.000 2.952 2 T HA 0.670 5.020 4.350 0.000 0.000 0.286 2 T C 1.332 175.949 174.700 -0.138 0.000 1.024 2 T CA 0.126 62.183 62.100 -0.072 0.000 1.029 2 T CB 1.948 70.780 68.868 -0.060 0.000 1.094 2 T HN 1.115 nan 8.240 nan 0.000 0.515 3 G N 0.174 108.865 108.800 -0.182 0.000 2.421 3 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 3 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 3 G C 1.347 175.894 174.900 -0.588 0.000 1.171 3 G CA 0.347 45.188 45.100 -0.433 0.000 0.775 3 G HN 0.731 nan 8.290 nan 0.000 0.543 4 E N 0.554 120.459 120.200 -0.492 0.000 2.130 4 E HA -0.140 4.210 4.350 0.000 0.000 0.196 4 E C 2.295 178.772 176.600 -0.204 0.000 0.998 4 E CA 1.039 57.252 56.400 -0.312 0.000 0.806 4 E CB -0.247 29.371 29.700 -0.135 0.000 0.738 4 E HN 0.645 nan 8.360 nan 0.000 0.459 5 E N -0.426 119.674 120.200 -0.166 0.000 2.031 5 E HA -0.136 4.214 4.350 0.000 0.000 0.193 5 E C 2.120 178.639 176.600 -0.135 0.000 0.994 5 E CA 1.393 57.726 56.400 -0.112 0.000 0.800 5 E CB 0.183 29.831 29.700 -0.087 0.000 0.752 5 E HN 0.057 nan 8.360 nan 0.000 0.447 6 V N 1.041 120.846 119.914 -0.182 0.000 2.427 6 V HA -0.225 3.895 4.120 0.000 0.000 0.248 6 V C 2.289 178.232 176.094 -0.251 0.000 1.051 6 V CA 0.966 63.155 62.300 -0.184 0.000 1.048 6 V CB -0.391 31.319 31.823 -0.187 0.000 0.666 6 V HN 0.268 nan 8.190 nan 0.000 0.456 7 L N -0.078 120.917 121.223 -0.380 0.000 2.083 7 L HA -0.146 4.194 4.340 0.000 0.000 0.209 7 L C 2.490 179.116 176.870 -0.406 0.000 1.083 7 L CA 1.909 56.375 54.840 -0.624 0.000 0.752 7 L CB -0.767 40.778 42.059 -0.856 0.000 0.899 7 L HN 0.331 nan 8.230 nan 0.000 0.433 8 Q N -1.361 118.369 119.800 -0.117 0.000 2.204 8 Q HA 0.013 4.353 4.340 0.000 0.000 0.198 8 Q C 1.867 177.890 176.000 0.038 0.000 0.946 8 Q CA 1.141 56.999 55.803 0.093 0.000 0.859 8 Q CB -0.178 28.622 28.738 0.103 0.000 0.946 8 Q HN 0.671 nan 8.270 nan 0.000 0.474 9 N N -0.230 118.456 118.700 -0.024 0.000 2.415 9 N HA 0.082 4.822 4.740 0.000 0.000 0.176 9 N C 1.279 176.775 175.510 -0.024 0.000 1.042 9 N CA 0.602 53.641 53.050 -0.018 0.000 0.902 9 N CB 0.435 38.904 38.487 -0.031 0.000 0.986 9 N HN 0.106 nan 8.380 nan 0.000 0.447 10 A N -0.166 122.623 122.820 -0.053 0.000 1.971 10 A HA 0.136 4.456 4.320 0.000 0.000 0.200 10 A C 2.035 179.598 177.584 -0.035 0.000 1.658 10 A CA -0.039 51.971 52.037 -0.044 0.000 0.962 10 A CB -0.427 18.535 19.000 -0.064 0.000 1.053 10 A HN 0.308 nan 8.150 nan 0.000 0.533 11 C N 0.454 119.688 119.300 -0.110 0.000 2.435 11 C HA 0.178 4.638 4.460 0.000 0.000 0.279 11 C C 2.983 178.017 174.990 0.073 0.000 1.321 11 C CA 0.865 59.818 59.018 -0.107 0.000 1.752 11 C CB -1.199 26.303 27.740 -0.397 0.000 1.959 11 C HN 0.652 nan 8.230 nan 0.000 0.500 12 A N 0.591 123.479 122.820 0.113 0.000 2.172 12 A HA 0.244 4.564 4.320 0.000 0.000 0.216 12 A C 2.258 179.944 177.584 0.169 0.000 1.154 12 A CA 1.436 53.656 52.037 0.305 0.000 0.701 12 A CB -0.499 18.715 19.000 0.357 0.000 0.789 12 A HN 0.569 nan 8.150 nan 0.000 0.465 13 A N -1.726 121.157 122.820 0.104 0.000 2.015 13 A HA -0.065 4.255 4.320 0.000 0.000 0.219 13 A C 1.942 179.553 177.584 0.046 0.000 1.163 13 A CA 1.784 53.858 52.037 0.062 0.000 0.646 13 A CB -0.574 18.451 19.000 0.042 0.000 0.806 13 A HN 0.601 nan 8.150 nan 0.000 0.448 14 C N -2.954 116.384 119.300 0.063 0.000 3.054 14 C HA 0.278 4.738 4.460 0.000 0.000 0.527 14 C C 0.660 175.595 174.990 -0.092 0.000 1.347 14 C CA -0.693 58.302 59.018 -0.038 0.000 2.453 14 C CB -0.517 27.162 27.740 -0.101 0.000 3.406 14 C HN 0.546 nan 8.230 nan 0.000 0.562 15 H N 1.642 120.745 119.070 0.055 0.000 2.800 15 H HA 0.324 4.880 4.556 0.000 0.000 0.291 15 H C -0.262 175.166 175.328 0.168 0.000 1.076 15 H CA 0.448 56.562 56.048 0.109 0.000 1.452 15 H CB 1.001 30.846 29.762 0.139 0.000 1.461 15 H HN 0.092 nan 8.280 nan 0.000 0.488 16 V N 4.161 124.128 119.914 0.088 0.000 2.686 16 V HA -0.013 4.107 4.120 0.000 0.000 0.295 16 V C 0.592 176.467 176.094 -0.366 0.000 1.055 16 V CA -0.029 62.212 62.300 -0.098 0.000 1.050 16 V CB 1.361 33.107 31.823 -0.129 0.000 0.984 16 V HN 0.722 nan 8.190 nan 0.000 0.482 17 Q N 3.819 123.272 119.800 -0.578 0.000 2.400 17 Q HA 0.274 4.614 4.340 0.000 0.000 0.255 17 Q C -0.514 175.141 176.000 -0.574 0.000 1.008 17 Q CA -0.699 54.512 55.803 -0.986 0.000 0.841 17 Q CB 0.525 28.408 28.738 -1.425 0.000 1.220 17 Q HN 0.815 nan 8.270 nan 0.000 0.474 18 H N 2.084 120.984 119.070 -0.283 0.000 2.745 18 H HA -0.015 4.541 4.556 -0.000 0.000 0.373 18 H C 0.682 175.912 175.328 -0.164 0.000 1.226 18 H CA 0.249 56.199 56.048 -0.164 0.000 1.435 18 H CB 0.808 30.512 29.762 -0.097 0.000 1.461 18 H HN 0.733 nan 8.280 nan 0.000 0.616 19 E N 0.472 120.691 120.200 0.033 0.000 2.267 19 E HA -0.193 4.157 4.350 0.000 0.000 0.197 19 E C 1.071 177.660 176.600 -0.019 0.000 0.998 19 E CA 1.187 57.576 56.400 -0.019 0.000 0.830 19 E CB 0.051 29.744 29.700 -0.012 0.000 0.751 19 E HN 0.561 nan 8.360 nan 0.000 0.491 20 D N -0.761 119.647 120.400 0.014 0.000 2.312 20 D HA -0.088 4.552 4.640 0.000 0.000 0.211 20 D C 1.391 177.684 176.300 -0.013 0.000 0.964 20 D CA 1.411 55.417 54.000 0.010 0.000 0.877 20 D CB 0.113 40.934 40.800 0.034 0.000 0.924 20 D HN 0.252 nan 8.370 nan 0.000 0.515 21 G N -0.197 108.561 108.800 -0.070 0.000 2.308 21 G HA2 -0.297 3.663 3.960 0.000 0.000 0.221 21 G HA3 -0.297 3.663 3.960 0.000 0.000 0.221 21 G C 0.529 175.302 174.900 -0.211 0.000 1.032 21 G CA 0.028 45.044 45.100 -0.139 0.000 0.623 21 G HN 0.395 nan 8.290 nan 0.000 0.506 22 R N -0.241 120.223 120.500 -0.060 0.000 2.734 22 R HA 0.311 4.651 4.340 0.000 0.000 0.266 22 R C -0.349 175.868 176.300 -0.139 0.000 1.044 22 R CA 0.261 56.378 56.100 0.028 0.000 1.128 22 R CB 0.255 30.648 30.300 0.154 0.000 1.010 22 R HN 0.328 nan 8.270 nan 0.000 0.461 23 W N 0.954 122.241 121.300 -0.023 0.000 2.496 23 W HA 0.164 4.824 4.660 -0.000 0.000 0.327 23 W C 0.282 176.786 176.519 -0.026 0.000 1.086 23 W CA -0.571 56.719 57.345 -0.091 0.000 1.222 23 W CB 0.641 30.061 29.460 -0.067 0.000 1.304 23 W HN 0.429 nan 8.180 nan 0.000 0.547 24 E N 2.995 123.289 120.200 0.157 0.000 2.480 24 E HA -0.017 4.333 4.350 0.000 0.000 0.258 24 E C 0.886 177.705 176.600 0.365 0.000 0.984 24 E CA 0.826 57.369 56.400 0.238 0.000 0.930 24 E CB 0.315 30.099 29.700 0.141 0.000 0.936 24 E HN 0.443 nan 8.360 nan 0.000 0.466 25 R N 3.006 123.669 120.500 0.272 0.000 1.373 25 R HA -0.269 4.071 4.340 0.000 0.000 0.053 25 R C 1.806 178.227 176.300 0.201 0.000 0.951 25 R CA 2.014 58.251 56.100 0.228 0.000 1.972 25 R CB -2.383 28.080 30.300 0.272 0.000 0.285 25 R HN 0.692 nan 8.270 nan 0.000 0.723 26 I N 1.659 122.332 120.570 0.172 0.000 2.143 26 I HA -0.261 3.909 4.170 0.000 0.000 0.245 26 I C 1.554 177.778 176.117 0.178 0.000 1.068 26 I CA 2.120 63.483 61.300 0.105 0.000 1.326 26 I CB -0.806 37.168 38.000 -0.043 0.000 1.028 26 I HN 0.313 nan 8.210 nan 0.000 0.412 27 D N 0.446 120.967 120.400 0.202 0.000 2.328 27 D HA 0.183 4.823 4.640 0.000 0.000 0.221 27 D C 1.515 177.911 176.300 0.160 0.000 1.072 27 D CA 0.375 54.485 54.000 0.182 0.000 0.850 27 D CB 0.568 41.486 40.800 0.196 0.000 0.922 27 D HN 0.305 nan 8.370 nan 0.000 0.516 28 A N 0.345 123.257 122.820 0.153 0.000 2.345 28 A HA 0.553 4.873 4.320 0.000 0.000 0.225 28 A C 0.675 178.274 177.584 0.025 0.000 1.243 28 A CA 0.001 52.096 52.037 0.097 0.000 0.875 28 A CB 0.410 19.476 19.000 0.109 0.000 0.929 28 A HN 0.143 nan 8.150 nan 0.000 0.502 29 A N -0.272 122.592 122.820 0.073 0.000 2.589 29 A HA 0.745 5.066 4.320 0.000 0.000 0.296 29 A C -0.773 176.896 177.584 0.142 0.000 1.062 29 A CA -0.729 51.298 52.037 -0.017 0.000 0.686 29 A CB 1.093 19.973 19.000 -0.200 0.000 1.282 29 A HN 0.278 nan 8.150 nan 0.000 0.404 30 R N 0.700 121.228 120.500 0.046 0.000 2.621 30 R HA 0.676 5.016 4.340 0.000 0.000 0.292 30 R C -0.854 175.404 176.300 -0.070 0.000 0.969 30 R CA -0.681 55.516 56.100 0.162 0.000 0.887 30 R CB 2.481 32.871 30.300 0.151 0.000 1.180 30 R HN 0.877 nan 8.270 nan 0.000 0.450 31 K N -0.697 119.631 120.400 -0.119 0.000 2.507 31 K HA 0.385 4.705 4.320 0.000 0.000 0.284 31 K C -0.474 176.054 176.600 -0.120 0.000 1.038 31 K CA -1.069 55.025 56.287 -0.323 0.000 0.903 31 K CB 0.875 32.926 32.500 -0.749 0.000 1.531 31 K HN 0.529 nan 8.250 nan 0.000 0.430 32 T N -2.427 112.051 114.554 -0.128 0.000 2.726 32 T HA 0.168 4.518 4.350 0.000 0.000 0.294 32 T C -1.886 172.869 174.700 0.092 0.000 1.013 32 T CA -1.167 60.936 62.100 0.005 0.000 0.996 32 T CB 0.437 69.285 68.868 -0.033 0.000 1.016 32 T HN 0.275 nan 8.240 nan 0.000 0.529 33 P HA -0.012 nan 4.420 nan 0.000 0.216 33 P C 1.346 178.701 177.300 0.093 0.000 1.153 33 P CA 0.920 64.109 63.100 0.148 0.000 0.848 33 P CB 0.021 31.762 31.700 0.069 0.000 0.787 34 E N -0.662 119.551 120.200 0.021 0.000 2.110 34 E HA -0.096 4.254 4.350 0.000 0.000 0.193 34 E C 2.228 178.800 176.600 -0.046 0.000 0.988 34 E CA 1.523 57.916 56.400 -0.012 0.000 0.804 34 E CB -1.352 28.328 29.700 -0.032 0.000 0.745 34 E HN 0.199 nan 8.360 nan 0.000 0.458 35 G N -0.241 108.492 108.800 -0.112 0.000 2.421 35 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 35 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 35 G C 1.131 175.885 174.900 -0.244 0.000 1.171 35 G CA 0.654 45.608 45.100 -0.243 0.000 0.775 35 G HN 0.301 nan 8.290 nan 0.000 0.543 36 W N 0.667 121.927 121.300 -0.066 0.000 2.374 36 W HA 0.063 4.723 4.660 -0.000 0.000 0.288 36 W C 2.240 178.718 176.519 -0.068 0.000 1.218 36 W CA 0.707 58.008 57.345 -0.073 0.000 1.245 36 W CB -0.002 29.415 29.460 -0.071 0.000 1.126 36 W HN 0.255 nan 8.180 nan 0.000 0.545 37 D N 0.095 120.580 120.400 0.142 0.000 2.084 37 D HA -0.209 4.431 4.640 0.000 0.000 0.194 37 D C 2.067 178.385 176.300 0.030 0.000 0.990 37 D CA 1.747 55.789 54.000 0.069 0.000 0.826 37 D CB -0.329 40.492 40.800 0.034 0.000 0.971 37 D HN 0.016 nan 8.370 nan 0.000 0.453 38 M N -0.411 119.186 119.600 -0.004 0.000 2.149 38 M HA -0.135 4.345 4.480 0.000 0.000 0.261 38 M C 2.133 178.420 176.300 -0.021 0.000 1.064 38 M CA 1.485 56.773 55.300 -0.021 0.000 1.102 38 M CB -0.326 32.244 32.600 -0.049 0.000 1.369 38 M HN 0.038 nan 8.290 nan 0.000 0.408 39 T N 0.345 114.882 114.554 -0.028 0.000 2.777 39 T HA -0.086 4.264 4.350 0.000 0.000 0.266 39 T C 1.872 176.583 174.700 0.019 0.000 1.040 39 T CA 1.302 63.387 62.100 -0.026 0.000 1.141 39 T CB -0.268 68.591 68.868 -0.014 0.000 0.868 39 T HN 0.155 nan 8.240 nan 0.000 0.444 40 V N 1.678 121.621 119.914 0.048 0.000 2.427 40 V HA -0.170 3.950 4.120 0.000 0.000 0.248 40 V C 2.759 178.861 176.094 0.014 0.000 1.051 40 V CA 1.868 64.186 62.300 0.029 0.000 1.048 40 V CB -1.201 30.636 31.823 0.024 0.000 0.666 40 V HN 0.522 nan 8.190 nan 0.000 0.456 41 T N -0.311 114.250 114.554 0.010 0.000 2.746 41 T HA -0.251 4.099 4.350 0.000 0.000 0.267 41 T C 2.055 176.753 174.700 -0.003 0.000 1.039 41 T CA 1.859 63.961 62.100 0.003 0.000 1.142 41 T CB -0.267 68.604 68.868 0.004 0.000 0.866 41 T HN 0.403 nan 8.240 nan 0.000 0.444 42 R N 0.198 120.696 120.500 -0.004 0.000 2.092 42 R HA -0.033 4.307 4.340 0.000 0.000 0.231 42 R C 2.318 178.601 176.300 -0.028 0.000 1.119 42 R CA 1.085 57.172 56.100 -0.023 0.000 0.970 42 R CB -0.172 30.114 30.300 -0.024 0.000 0.864 42 R HN 0.237 nan 8.270 nan 0.000 0.440 43 M N 0.031 119.661 119.600 0.050 0.000 2.086 43 M HA -0.171 4.309 4.480 0.000 0.000 0.261 43 M C 2.207 178.544 176.300 0.063 0.000 1.067 43 M CA 1.771 57.155 55.300 0.139 0.000 1.116 43 M CB -0.733 31.932 32.600 0.108 0.000 1.348 43 M HN 0.252 nan 8.290 nan 0.000 0.407 44 M N -1.259 118.352 119.600 0.019 0.000 2.099 44 M HA -0.186 4.294 4.480 0.000 0.000 0.262 44 M C 2.399 178.687 176.300 -0.020 0.000 1.067 44 M CA 1.523 56.825 55.300 0.003 0.000 1.124 44 M CB -0.519 32.079 32.600 -0.004 0.000 1.353 44 M HN 0.198 nan 8.290 nan 0.000 0.410 45 R N 0.798 121.274 120.500 -0.040 0.000 2.055 45 R HA -0.081 4.259 4.340 0.000 0.000 0.228 45 R C 1.644 177.876 176.300 -0.114 0.000 1.143 45 R CA 1.815 57.880 56.100 -0.058 0.000 0.945 45 R CB -0.314 29.961 30.300 -0.042 0.000 0.841 45 R HN 0.514 nan 8.270 nan 0.000 0.429 46 N N -0.976 117.587 118.700 -0.228 0.000 2.207 46 N HA -0.103 4.637 4.740 0.000 0.000 0.182 46 N C 0.382 175.602 175.510 -0.485 0.000 1.020 46 N CA 0.818 53.616 53.050 -0.421 0.000 0.858 46 N CB 0.082 38.163 38.487 -0.676 0.000 0.991 46 N HN 0.426 nan 8.380 nan 0.000 0.427 47 H N -0.650 118.425 119.070 0.009 0.000 2.503 47 H HA 0.289 4.845 4.556 -0.000 0.000 0.296 47 H C 0.791 176.122 175.328 0.005 0.000 1.097 47 H CA -0.161 55.891 56.048 0.007 0.000 1.055 47 H CB 0.386 30.155 29.762 0.012 0.000 1.580 47 H HN 0.164 nan 8.280 nan 0.000 0.546 48 G N 1.188 110.010 108.800 0.037 0.000 2.402 48 G HA2 -0.326 3.634 3.960 0.000 0.000 0.300 48 G HA3 -0.326 3.634 3.960 0.000 0.000 0.300 48 G C 0.171 175.093 174.900 0.035 0.000 0.987 48 G CA 0.541 45.658 45.100 0.027 0.000 0.881 48 G HN 0.324 nan 8.290 nan 0.000 0.512 49 V N 0.641 120.583 119.914 0.046 0.000 2.397 49 V HA 0.513 4.634 4.120 0.000 0.000 0.262 49 V C 1.104 177.205 176.094 0.012 0.000 1.047 49 V CA -0.315 62.006 62.300 0.035 0.000 1.003 49 V CB 0.577 32.427 31.823 0.045 0.000 1.037 49 V HN 0.913 nan 8.190 nan 0.000 0.480 50 A N 7.557 130.381 122.820 0.005 0.000 2.451 50 A HA 0.616 4.936 4.320 0.000 0.000 0.266 50 A C -0.323 177.254 177.584 -0.012 0.000 1.119 50 A CA 0.014 52.049 52.037 -0.004 0.000 0.786 50 A CB -0.127 18.871 19.000 -0.004 0.000 1.061 50 A HN 0.819 nan 8.150 nan 0.000 0.503 51 L N 3.010 124.224 121.223 -0.015 0.000 2.438 51 L HA 0.347 4.687 4.340 0.000 0.000 0.270 51 L C -0.234 176.623 176.870 -0.022 0.000 0.972 51 L CA -0.799 54.027 54.840 -0.024 0.000 0.831 51 L CB 1.899 43.941 42.059 -0.028 0.000 1.273 51 L HN 0.663 nan 8.230 nan 0.000 0.405 52 E N 3.005 123.190 120.200 -0.025 0.000 2.374 52 E HA 0.143 4.493 4.350 0.000 0.000 0.260 52 E C -1.678 174.908 176.600 -0.025 0.000 1.101 52 E CA -1.687 54.699 56.400 -0.023 0.000 0.907 52 E CB 0.982 30.668 29.700 -0.023 0.000 1.014 52 E HN 0.309 nan 8.360 nan 0.000 0.427 53 P HA -0.212 nan 4.420 nan 0.000 0.216 53 P C 0.579 177.863 177.300 -0.028 0.000 1.157 53 P CA 1.700 64.785 63.100 -0.023 0.000 0.880 53 P CB 0.330 32.018 31.700 -0.021 0.000 0.791 54 E N -0.378 119.804 120.200 -0.029 0.000 2.107 54 E HA -0.150 4.200 4.350 0.000 0.000 0.191 54 E C 1.900 178.476 176.600 -0.040 0.000 0.982 54 E CA 1.055 57.435 56.400 -0.033 0.000 0.809 54 E CB -0.881 28.800 29.700 -0.031 0.000 0.756 54 E HN 0.429 nan 8.360 nan 0.000 0.459 55 E N 0.832 121.006 120.200 -0.043 0.000 2.051 55 E HA -0.179 4.171 4.350 0.000 0.000 0.192 55 E C 2.182 178.747 176.600 -0.059 0.000 0.991 55 E CA 0.902 57.269 56.400 -0.055 0.000 0.799 55 E CB -0.148 29.519 29.700 -0.054 0.000 0.748 55 E HN 0.126 nan 8.360 nan 0.000 0.449 56 R N 0.972 121.444 120.500 -0.046 0.000 2.080 56 R HA -0.181 4.159 4.340 0.000 0.000 0.236 56 R C 2.308 178.584 176.300 -0.041 0.000 1.137 56 R CA 1.609 57.684 56.100 -0.042 0.000 0.943 56 R CB -0.300 29.982 30.300 -0.029 0.000 0.846 56 R HN 0.169 nan 8.270 nan 0.000 0.431 57 A N 0.507 123.304 122.820 -0.038 0.000 1.972 57 A HA -0.077 4.243 4.320 0.000 0.000 0.219 57 A C 2.317 179.876 177.584 -0.042 0.000 1.169 57 A CA 1.618 53.633 52.037 -0.038 0.000 0.635 57 A CB -0.663 18.315 19.000 -0.038 0.000 0.810 57 A HN 0.591 nan 8.150 nan 0.000 0.446 58 A N 0.621 123.412 122.820 -0.048 0.000 1.845 58 A HA -0.054 4.266 4.320 0.000 0.000 0.215 58 A C 2.000 179.550 177.584 -0.055 0.000 1.195 58 A CA 1.767 53.774 52.037 -0.050 0.000 0.616 58 A CB -0.807 18.156 19.000 -0.062 0.000 0.832 58 A HN 0.686 nan 8.150 nan 0.000 0.443 59 I N -0.716 119.801 120.570 -0.089 0.000 2.315 59 I HA -0.123 4.047 4.170 0.000 0.000 0.248 59 I C 2.095 178.151 176.117 -0.102 0.000 1.117 59 I CA 0.910 62.137 61.300 -0.121 0.000 1.404 59 I CB -1.160 36.732 38.000 -0.179 0.000 1.071 59 I HN 0.056 nan 8.210 nan 0.000 0.419 60 V N 1.113 120.987 119.914 -0.068 0.000 2.287 60 V HA -0.303 3.817 4.120 0.000 0.000 0.248 60 V C 2.876 178.932 176.094 -0.063 0.000 1.053 60 V CA 2.435 64.713 62.300 -0.036 0.000 1.027 60 V CB -0.832 30.991 31.823 0.002 0.000 0.646 60 V HN 0.470 nan 8.190 nan 0.000 0.447 61 R N -0.876 119.593 120.500 -0.051 0.000 2.075 61 R HA -0.204 4.136 4.340 0.000 0.000 0.232 61 R C 2.555 178.801 176.300 -0.090 0.000 1.126 61 R CA 1.734 57.802 56.100 -0.053 0.000 0.963 61 R CB -0.513 29.766 30.300 -0.034 0.000 0.858 61 R HN 0.703 nan 8.270 nan 0.000 0.435 62 H N 0.695 119.664 119.070 -0.168 0.000 2.387 62 H HA -0.108 4.448 4.556 0.000 0.000 0.299 62 H C 1.880 177.024 175.328 -0.307 0.000 1.090 62 H CA 1.852 57.780 56.048 -0.200 0.000 1.332 62 H CB 0.009 29.648 29.762 -0.206 0.000 1.386 62 H HN 0.260 nan 8.280 nan 0.000 0.516 63 L N 0.133 121.099 121.223 -0.428 0.000 2.156 63 L HA -0.106 4.234 4.340 0.000 0.000 0.208 63 L C 2.703 179.089 176.870 -0.806 0.000 1.095 63 L CA 1.092 55.406 54.840 -0.878 0.000 0.770 63 L CB -0.234 41.025 42.059 -1.335 0.000 0.914 63 L HN 0.169 nan 8.230 nan 0.000 0.439 64 S N -0.720 114.739 115.700 -0.402 0.000 2.436 64 S HA -0.109 4.361 4.470 0.000 0.000 0.228 64 S C 1.334 175.878 174.600 -0.093 0.000 1.014 64 S CA 0.821 58.964 58.200 -0.095 0.000 0.950 64 S CB -0.123 63.092 63.200 0.026 0.000 0.784 64 S HN 0.404 nan 8.310 nan 0.000 0.504 65 D N 1.268 121.558 120.400 -0.184 0.000 2.213 65 D HA -0.003 4.637 4.640 0.000 0.000 0.205 65 D C 2.258 178.452 176.300 -0.177 0.000 0.961 65 D CA 1.545 55.461 54.000 -0.140 0.000 0.853 65 D CB -0.227 40.487 40.800 -0.144 0.000 0.967 65 D HN 0.585 nan 8.370 nan 0.000 0.496 66 T N -2.319 112.041 114.554 -0.323 0.000 3.034 66 T HA 0.170 4.520 4.350 0.000 0.000 0.248 66 T C 1.356 175.961 174.700 -0.158 0.000 1.040 66 T CA -0.112 61.827 62.100 -0.269 0.000 1.107 66 T CB 0.304 68.915 68.868 -0.428 0.000 0.932 66 T HN -0.084 nan 8.240 nan 0.000 0.474 67 R N 1.266 121.654 120.500 -0.186 0.000 2.816 67 R HA 0.521 4.861 4.340 0.000 0.000 0.382 67 R C 0.660 177.120 176.300 0.268 0.000 1.140 67 R CA -0.519 55.588 56.100 0.011 0.000 1.050 67 R CB 1.060 31.323 30.300 -0.062 0.000 1.396 67 R HN 0.423 nan 8.270 nan 0.000 0.583 68 G N 0.273 109.177 108.800 0.173 0.000 2.583 68 G HA2 0.591 4.551 3.960 0.000 0.000 0.280 68 G HA3 0.591 4.551 3.960 0.000 0.000 0.280 68 G C -0.343 174.649 174.900 0.154 0.000 1.376 68 G CA -0.634 44.603 45.100 0.230 0.000 1.043 68 G HN 0.036 nan 8.290 nan 0.000 0.538 69 L N -0.283 121.012 121.223 0.120 0.000 2.304 69 L HA 0.527 4.867 4.340 0.000 0.000 0.268 69 L C 0.789 177.709 176.870 0.083 0.000 1.010 69 L CA -0.938 53.957 54.840 0.092 0.000 0.813 69 L CB 1.955 44.056 42.059 0.071 0.000 1.315 69 L HN 0.652 nan 8.230 nan 0.000 0.445 70 S N -0.344 115.403 115.700 0.077 0.000 2.652 70 S HA 0.373 4.843 4.470 0.000 0.000 0.270 70 S C 0.958 175.601 174.600 0.071 0.000 1.243 70 S CA -0.779 57.465 58.200 0.074 0.000 0.999 70 S CB 0.979 64.220 63.200 0.068 0.000 0.973 70 S HN 0.580 nan 8.310 nan 0.000 0.544 71 L N 0.838 122.103 121.223 0.070 0.000 2.083 71 L HA -0.067 4.273 4.340 0.000 0.000 0.209 71 L C 2.989 179.898 176.870 0.064 0.000 1.083 71 L CA 1.472 56.353 54.840 0.067 0.000 0.752 71 L CB -1.058 41.040 42.059 0.064 0.000 0.899 71 L HN 0.944 nan 8.230 nan 0.000 0.433 72 A N -0.059 122.799 122.820 0.063 0.000 2.019 72 A HA -0.200 4.120 4.320 0.000 0.000 0.219 72 A C 2.045 179.672 177.584 0.071 0.000 1.164 72 A CA 1.420 53.495 52.037 0.064 0.000 0.644 72 A CB -0.370 18.666 19.000 0.059 0.000 0.805 72 A HN 0.474 nan 8.150 nan 0.000 0.449 73 E N -0.664 119.580 120.200 0.074 0.000 2.482 73 E HA -0.068 4.282 4.350 0.000 0.000 0.196 73 E C 1.595 178.239 176.600 0.073 0.000 1.047 73 E CA 1.083 57.533 56.400 0.083 0.000 0.869 73 E CB -0.093 29.658 29.700 0.086 0.000 0.836 73 E HN 0.825 nan 8.360 nan 0.000 0.520 74 T N -2.272 112.317 114.554 0.060 0.000 3.040 74 T HA 0.081 4.431 4.350 0.000 0.000 0.250 74 T C 0.455 175.183 174.700 0.046 0.000 1.058 74 T CA -0.383 61.740 62.100 0.038 0.000 0.988 74 T CB 0.082 68.968 68.868 0.029 0.000 0.993 74 T HN -0.066 nan 8.240 nan 0.000 0.519 75 E N 2.141 122.383 120.200 0.069 0.000 2.502 75 E HA 0.031 4.381 4.350 0.000 0.000 0.261 75 E C 0.261 176.922 176.600 0.102 0.000 0.974 75 E CA 0.154 56.604 56.400 0.083 0.000 0.936 75 E CB 0.245 29.995 29.700 0.084 0.000 0.926 75 E HN 0.293 nan 8.360 nan 0.000 0.459 76 E N 1.301 121.577 120.200 0.128 0.000 4.174 76 E HA -0.222 4.128 4.350 0.000 0.000 0.374 76 E C 0.623 177.348 176.600 0.208 0.000 0.582 76 E CA 1.146 57.659 56.400 0.188 0.000 1.359 76 E CB -0.610 29.199 29.700 0.182 0.000 1.820 76 E HN 0.506 nan 8.360 nan 0.000 0.388 77 R N 0.232 120.750 120.500 0.030 0.000 2.543 77 R HA 0.288 4.628 4.340 0.000 0.000 0.323 77 R C 1.682 177.727 176.300 -0.425 0.000 1.002 77 R CA -0.093 55.837 56.100 -0.284 0.000 1.106 77 R CB 0.233 30.432 30.300 -0.170 0.000 1.280 77 R HN 0.144 nan 8.270 nan 0.000 0.549 78 R N 0.493 120.903 120.500 -0.150 0.000 2.189 78 R HA -0.111 4.229 4.340 0.000 0.000 0.223 78 R C 1.624 177.883 176.300 -0.069 0.000 1.092 78 R CA 1.281 57.336 56.100 -0.075 0.000 0.989 78 R CB -0.288 30.039 30.300 0.046 0.000 0.876 78 R HN 0.298 nan 8.270 nan 0.000 0.457 79 Y N -0.533 119.806 120.300 0.065 0.000 2.193 79 Y HA -0.182 4.368 4.550 -0.000 0.000 0.285 79 Y C 1.907 177.815 175.900 0.013 0.000 1.166 79 Y CA 0.653 58.776 58.100 0.040 0.000 1.181 79 Y CB -0.608 37.878 38.460 0.044 0.000 0.976 79 Y HN -0.096 nan 8.280 nan 0.000 0.520 80 I N 0.272 120.666 120.570 -0.292 0.000 2.617 80 I HA -0.124 4.046 4.170 0.000 0.000 0.256 80 I C 1.925 177.999 176.117 -0.072 0.000 1.167 80 I CA 0.904 62.138 61.300 -0.110 0.000 1.469 80 I CB -0.294 37.563 38.000 -0.237 0.000 1.098 80 I HN 0.320 nan 8.210 nan 0.000 0.436 81 L N -0.527 120.646 121.223 -0.083 0.000 2.209 81 L HA -0.042 4.298 4.340 0.000 0.000 0.207 81 L C 1.859 178.743 176.870 0.023 0.000 1.094 81 L CA 0.841 55.665 54.840 -0.028 0.000 0.790 81 L CB -0.446 41.603 42.059 -0.017 0.000 0.932 81 L HN 0.198 nan 8.230 nan 0.000 0.447 82 E N -0.161 120.066 120.200 0.045 0.000 2.478 82 E HA 0.007 4.357 4.350 0.000 0.000 0.194 82 E C 0.018 176.634 176.600 0.027 0.000 1.045 82 E CA -0.234 56.217 56.400 0.085 0.000 0.868 82 E CB 0.305 30.073 29.700 0.112 0.000 0.885 82 E HN 0.177 nan 8.360 nan 0.000 0.505 83 R N 0.672 121.157 120.500 -0.025 0.000 3.770 83 R HA -0.176 4.164 4.340 0.000 0.000 0.305 83 R C -0.271 175.967 176.300 -0.103 0.000 1.184 83 R CA 0.764 56.795 56.100 -0.114 0.000 0.823 83 R CB -2.604 27.505 30.300 -0.318 0.000 1.285 83 R HN 0.239 nan 8.270 nan 0.000 0.499 84 E N 3.068 123.255 120.200 -0.020 0.000 2.498 84 E HA 0.040 4.390 4.350 0.000 0.000 0.252 84 E C -0.741 175.799 176.600 -0.100 0.000 1.025 84 E CA -1.157 55.222 56.400 -0.034 0.000 0.938 84 E CB 0.653 30.381 29.700 0.048 0.000 0.947 84 E HN 0.152 nan 8.360 nan 0.000 0.478 85 P HA -0.113 nan 4.420 nan 0.000 0.218 85 P C -0.055 177.082 177.300 -0.271 0.000 1.149 85 P CA 0.541 63.520 63.100 -0.201 0.000 0.817 85 P CB 0.296 31.871 31.700 -0.208 0.000 0.785 86 V N 0.951 120.702 119.914 -0.271 0.000 2.258 86 V HA 0.526 4.646 4.120 0.000 0.000 0.258 86 V C 0.599 176.325 176.094 -0.612 0.000 1.121 86 V CA -0.277 61.776 62.300 -0.412 0.000 0.942 86 V CB -0.362 31.327 31.823 -0.223 0.000 1.170 86 V HN 0.209 nan 8.190 nan 0.000 0.487 87 A N 4.097 126.405 122.820 -0.854 0.000 2.530 87 A HA 0.958 5.278 4.320 0.000 0.000 0.288 87 A C -1.638 175.247 177.584 -1.164 0.000 1.172 87 A CA -0.660 50.855 52.037 -0.871 0.000 0.733 87 A CB 1.997 20.654 19.000 -0.571 0.000 1.320 87 A HN 0.569 nan 8.150 nan 0.000 0.419 88 W N 1.018 122.060 121.300 -0.429 0.000 2.830 88 W HA 0.401 5.061 4.660 0.000 0.000 0.335 88 W C -1.468 174.840 176.519 -0.352 0.000 1.043 88 W CA -0.449 56.729 57.345 -0.278 0.000 1.239 88 W CB 1.945 31.308 29.460 -0.161 0.000 1.378 88 W HN 0.826 nan 8.180 nan 0.000 0.456 89 D N 2.974 123.370 120.400 -0.007 0.000 2.505 89 D HA 0.383 5.023 4.640 0.000 0.000 0.249 89 D C -0.588 175.808 176.300 0.160 0.000 1.082 89 D CA 0.204 54.276 54.000 0.120 0.000 0.839 89 D CB 2.335 43.258 40.800 0.205 0.000 1.317 89 D HN 0.576 nan 8.370 nan 0.000 0.497 90 E N 1.437 121.746 120.200 0.182 0.000 2.429 90 E HA 0.582 4.932 4.350 0.000 0.000 0.280 90 E C -0.792 175.751 176.600 -0.095 0.000 1.068 90 E CA -1.248 55.191 56.400 0.064 0.000 0.837 90 E CB 0.593 30.305 29.700 0.020 0.000 1.357 90 E HN 0.295 nan 8.360 nan 0.000 0.455 91 G N 0.091 108.622 108.800 -0.448 0.000 2.537 91 G HA2 0.445 4.405 3.960 0.000 0.000 0.297 91 G HA3 0.445 4.405 3.960 0.000 0.000 0.297 91 G C -1.507 173.086 174.900 -0.511 0.000 1.310 91 G CA -1.203 43.183 45.100 -1.191 0.000 1.027 91 G HN 0.491 nan 8.290 nan 0.000 0.505 92 P HA 0.035 nan 4.420 nan 0.000 0.223 92 P C -0.330 176.889 177.300 -0.135 0.000 1.151 92 P CA 1.191 64.222 63.100 -0.114 0.000 0.787 92 P CB 0.121 31.872 31.700 0.085 0.000 0.788 93 D N -3.873 116.393 120.400 -0.224 0.000 2.643 93 D HA 0.121 4.761 4.640 0.000 0.000 0.283 93 D C 0.640 176.833 176.300 -0.180 0.000 1.242 93 D CA -0.670 53.224 54.000 -0.177 0.000 0.863 93 D CB -0.164 40.527 40.800 -0.181 0.000 1.382 93 D HN -0.404 nan 8.370 nan 0.000 0.444 94 T N -0.496 113.981 114.554 -0.127 0.000 2.684 94 T HA -0.203 4.147 4.350 0.000 0.000 0.267 94 T C 1.736 176.372 174.700 -0.106 0.000 1.036 94 T CA 2.235 64.276 62.100 -0.098 0.000 1.148 94 T CB -0.427 68.400 68.868 -0.069 0.000 0.863 94 T HN 0.495 nan 8.240 nan 0.000 0.436 95 S N 0.644 116.265 115.700 -0.132 0.000 2.359 95 S HA -0.161 4.309 4.470 0.000 0.000 0.223 95 S C 2.129 176.645 174.600 -0.139 0.000 1.039 95 S CA 1.334 59.455 58.200 -0.133 0.000 1.042 95 S CB -0.354 62.740 63.200 -0.176 0.000 0.915 95 S HN 0.213 nan 8.310 nan 0.000 0.439 96 M N 1.019 120.483 119.600 -0.227 0.000 2.175 96 M HA -0.030 4.450 4.480 0.000 0.000 0.264 96 M C 2.333 178.603 176.300 -0.049 0.000 1.063 96 M CA 1.562 56.763 55.300 -0.165 0.000 1.119 96 M CB -2.303 30.108 32.600 -0.316 0.000 1.377 96 M HN 0.344 nan 8.290 nan 0.000 0.415 97 T N 0.776 115.243 114.554 -0.146 0.000 2.708 97 T HA -0.173 4.177 4.350 0.000 0.000 0.266 97 T C 1.957 176.669 174.700 0.020 0.000 1.037 97 T CA 1.324 63.381 62.100 -0.072 0.000 1.146 97 T CB -0.162 68.647 68.868 -0.098 0.000 0.865 97 T HN 0.464 nan 8.240 nan 0.000 0.435 98 Q N 0.202 120.002 119.800 -0.001 0.000 2.046 98 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 98 Q C 2.719 178.760 176.000 0.068 0.000 0.975 98 Q CA 1.741 57.560 55.803 0.026 0.000 0.836 98 Q CB -0.390 28.357 28.738 0.015 0.000 0.896 98 Q HN 0.560 nan 8.270 nan 0.000 0.428 99 T N -2.055 112.554 114.554 0.091 0.000 3.067 99 T HA -0.003 4.347 4.350 0.000 0.000 0.261 99 T C 1.601 176.409 174.700 0.179 0.000 1.110 99 T CA 0.639 62.847 62.100 0.181 0.000 1.113 99 T CB 0.042 69.029 68.868 0.198 0.000 0.917 99 T HN 0.294 nan 8.240 nan 0.000 0.499 100 C N -0.089 119.308 119.300 0.160 0.000 3.545 100 C HA 0.589 5.049 4.460 0.000 0.000 0.368 100 C C 2.170 177.239 174.990 0.132 0.000 1.400 100 C CA -0.205 58.912 59.018 0.164 0.000 1.848 100 C CB 0.073 27.961 27.740 0.248 0.000 2.576 100 C HN 0.650 nan 8.230 nan 0.000 0.683 101 G N 1.007 109.910 108.800 0.172 0.000 3.774 101 G HA2 0.159 4.119 3.960 0.000 0.000 0.287 101 G HA3 0.159 4.119 3.960 0.000 0.000 0.287 101 G C 1.238 176.161 174.900 0.039 0.000 1.030 101 G CA -0.138 45.057 45.100 0.157 0.000 0.824 101 G HN 0.651 nan 8.290 nan 0.000 0.518 102 R N -1.704 118.777 120.500 -0.031 0.000 2.254 102 R HA 0.251 4.591 4.340 0.000 0.000 0.195 102 R C 1.349 177.591 176.300 -0.096 0.000 0.957 102 R CA 0.523 56.596 56.100 -0.045 0.000 1.024 102 R CB -0.432 29.850 30.300 -0.030 0.000 0.952 102 R HN 0.196 nan 8.270 nan 0.000 0.484 103 C N 0.264 119.449 119.300 -0.191 0.000 2.508 103 C HA 0.282 4.742 4.460 0.000 0.000 0.303 103 C C 0.794 175.704 174.990 -0.133 0.000 1.496 103 C CA 0.171 59.066 59.018 -0.205 0.000 2.041 103 C CB -0.206 27.353 27.740 -0.301 0.000 2.011 103 C HN 0.657 nan 8.230 nan 0.000 0.655 104 H N 0.553 119.635 119.070 0.021 0.000 2.693 104 H HA 0.611 5.167 4.556 0.000 0.000 0.348 104 H C 0.128 175.495 175.328 0.064 0.000 1.222 104 H CA -0.394 55.672 56.048 0.031 0.000 1.270 104 H CB -0.183 29.599 29.762 0.034 0.000 1.798 104 H HN 0.225 nan 8.280 nan 0.000 0.592 105 S N -0.437 115.468 115.700 0.341 0.000 2.566 105 S HA -0.113 4.357 4.470 0.000 0.000 0.280 105 S C 0.637 175.458 174.600 0.368 0.000 1.343 105 S CA -0.347 58.029 58.200 0.293 0.000 1.036 105 S CB 0.085 63.424 63.200 0.232 0.000 0.866 105 S HN 0.741 nan 8.310 nan 0.000 0.526 106 Y N 2.314 122.746 120.300 0.220 0.000 2.439 106 Y HA 0.118 4.668 4.550 -0.000 0.000 0.292 106 Y C 2.357 178.339 175.900 0.137 0.000 1.130 106 Y CA 1.058 59.270 58.100 0.188 0.000 1.254 106 Y CB -0.849 37.703 38.460 0.152 0.000 1.000 106 Y HN 0.880 nan 8.280 nan 0.000 0.554 107 A N 0.563 123.498 122.820 0.190 0.000 2.024 107 A HA -0.232 4.088 4.320 0.000 0.000 0.220 107 A C 2.332 179.841 177.584 -0.125 0.000 1.164 107 A CA 1.709 53.760 52.037 0.024 0.000 0.643 107 A CB -0.764 18.201 19.000 -0.058 0.000 0.806 107 A HN 0.540 nan 8.150 nan 0.000 0.451 108 R N -0.408 120.017 120.500 -0.124 0.000 2.152 108 R HA -0.073 4.267 4.340 0.000 0.000 0.232 108 R C 1.687 177.840 176.300 -0.244 0.000 1.117 108 R CA 1.623 57.592 56.100 -0.220 0.000 0.981 108 R CB -0.244 29.825 30.300 -0.385 0.000 0.870 108 R HN 0.356 nan 8.270 nan 0.000 0.451 109 V N 0.522 120.246 119.914 -0.316 0.000 2.302 109 V HA -0.070 4.050 4.120 0.000 0.000 0.243 109 V C 2.354 178.132 176.094 -0.526 0.000 1.036 109 V CA 1.673 63.740 62.300 -0.388 0.000 1.020 109 V CB -0.615 30.787 31.823 -0.701 0.000 0.657 109 V HN 0.466 nan 8.190 nan 0.000 0.453 110 A N -0.468 121.998 122.820 -0.590 0.000 2.125 110 A HA -0.045 4.275 4.320 0.000 0.000 0.219 110 A C 1.841 179.270 177.584 -0.257 0.000 1.156 110 A CA 1.206 52.949 52.037 -0.490 0.000 0.671 110 A CB -0.544 18.436 19.000 -0.032 0.000 0.794 110 A HN 0.533 nan 8.150 nan 0.000 0.459 111 L N -0.357 120.743 121.223 -0.205 0.000 2.783 111 L HA 0.189 4.529 4.340 0.000 0.000 0.236 111 L C 0.014 176.808 176.870 -0.127 0.000 1.225 111 L CA -0.016 54.747 54.840 -0.127 0.000 1.026 111 L CB -0.167 41.812 42.059 -0.133 0.000 1.314 111 L HN 0.433 nan 8.230 nan 0.000 0.489 112 Q N -0.029 119.704 119.800 -0.111 0.000 2.389 112 Q HA 0.562 4.902 4.340 0.000 0.000 0.277 112 Q C -1.123 174.929 176.000 0.088 0.000 1.082 112 Q CA -0.989 54.765 55.803 -0.082 0.000 0.810 112 Q CB 3.175 31.831 28.738 -0.135 0.000 1.374 112 Q HN -0.003 nan 8.270 nan 0.000 0.422 113 R N 1.079 121.593 120.500 0.023 0.000 2.532 113 R HA 0.548 4.888 4.340 0.000 0.000 0.297 113 R C -1.031 175.232 176.300 -0.061 0.000 0.984 113 R CA -0.247 55.937 56.100 0.140 0.000 0.884 113 R CB 1.556 31.936 30.300 0.134 0.000 1.182 113 R HN 0.543 nan 8.270 nan 0.000 0.442 114 R N 0.022 120.472 120.500 -0.083 0.000 2.795 114 R HA 0.520 4.860 4.340 0.000 0.000 0.268 114 R C -0.643 175.619 176.300 -0.063 0.000 1.041 114 R CA -1.079 54.818 56.100 -0.338 0.000 0.927 114 R CB 1.499 31.139 30.300 -1.101 0.000 1.235 114 R HN 0.705 nan 8.270 nan 0.000 0.463 115 T N -1.348 113.175 114.554 -0.051 0.000 2.913 115 T HA 0.210 4.560 4.350 0.000 0.000 0.287 115 T C -1.511 173.271 174.700 0.138 0.000 1.008 115 T CA -1.606 60.535 62.100 0.068 0.000 1.067 115 T CB 1.237 70.138 68.868 0.055 0.000 0.996 115 T HN 0.292 nan 8.240 nan 0.000 0.513 116 P HA -0.217 nan 4.420 nan 0.000 0.217 116 P C 1.253 178.635 177.300 0.137 0.000 1.151 116 P CA 1.462 64.682 63.100 0.200 0.000 0.849 116 P CB 0.242 32.006 31.700 0.107 0.000 0.787 117 E N 0.642 120.874 120.200 0.054 0.000 2.077 117 E HA -0.198 4.152 4.350 0.000 0.000 0.193 117 E C 1.843 178.375 176.600 -0.114 0.000 0.989 117 E CA 1.719 58.089 56.400 -0.050 0.000 0.800 117 E CB -1.062 28.619 29.700 -0.032 0.000 0.746 117 E HN 0.131 nan 8.360 nan 0.000 0.452 118 D N -1.341 119.065 120.400 0.010 0.000 2.178 118 D HA -0.097 4.543 4.640 0.000 0.000 0.202 118 D C 1.282 177.622 176.300 0.067 0.000 0.974 118 D CA 0.981 55.016 54.000 0.057 0.000 0.841 118 D CB -0.151 40.638 40.800 -0.017 0.000 0.953 118 D HN 0.323 nan 8.370 nan 0.000 0.478 119 W N 1.091 122.444 121.300 0.088 0.000 2.425 119 W HA -0.061 4.599 4.660 -0.000 0.000 0.277 119 W C 2.373 178.959 176.519 0.112 0.000 1.231 119 W CA 0.442 57.852 57.345 0.107 0.000 1.248 119 W CB 0.092 29.606 29.460 0.091 0.000 1.117 119 W HN -0.073 nan 8.180 nan 0.000 0.568 120 K N -0.339 120.220 120.400 0.265 0.000 2.025 120 K HA -0.209 4.111 4.320 0.000 0.000 0.207 120 K C 1.808 178.557 176.600 0.248 0.000 1.049 120 K CA 1.581 57.967 56.287 0.164 0.000 0.933 120 K CB -0.538 31.955 32.500 -0.011 0.000 0.714 120 K HN 0.128 nan 8.250 nan 0.000 0.438 121 H N 0.797 120.018 119.070 0.253 0.000 2.352 121 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 121 H C 2.157 177.695 175.328 0.350 0.000 1.097 121 H CA 1.551 57.752 56.048 0.255 0.000 1.311 121 H CB -0.373 29.494 29.762 0.176 0.000 1.377 121 H HN 0.217 nan 8.280 nan 0.000 0.504 122 L N 0.557 122.070 121.223 0.484 0.000 2.042 122 L HA -0.129 4.211 4.340 0.000 0.000 0.210 122 L C 2.318 179.627 176.870 0.731 0.000 1.076 122 L CA 1.140 56.320 54.840 0.568 0.000 0.749 122 L CB -0.546 41.800 42.059 0.479 0.000 0.893 122 L HN -0.018 nan 8.230 nan 0.000 0.432 123 V N 0.027 120.275 119.914 0.558 0.000 2.626 123 V HA -0.210 3.910 4.120 0.000 0.000 0.252 123 V C 2.310 178.775 176.094 0.619 0.000 1.067 123 V CA 1.707 64.320 62.300 0.521 0.000 1.081 123 V CB -0.955 31.090 31.823 0.371 0.000 0.686 123 V HN 0.531 nan 8.190 nan 0.000 0.468 124 N N -0.280 118.759 118.700 0.564 0.000 2.270 124 N HA -0.114 4.626 4.740 0.000 0.000 0.181 124 N C 1.798 177.536 175.510 0.380 0.000 1.016 124 N CA 1.301 54.641 53.050 0.482 0.000 0.870 124 N CB -0.100 38.659 38.487 0.453 0.000 0.979 124 N HN 0.566 nan 8.380 nan 0.000 0.431 125 F N 1.979 122.139 119.950 0.350 0.000 2.146 125 F HA -0.125 4.402 4.527 0.000 0.000 0.298 125 F C 2.113 178.033 175.800 0.200 0.000 1.096 125 F CA 1.565 59.703 58.000 0.231 0.000 1.275 125 F CB -0.589 38.549 39.000 0.230 0.000 1.008 125 F HN 0.018 nan 8.300 nan 0.000 0.480 126 H N 0.241 119.242 119.070 -0.114 0.000 2.290 126 H HA -0.136 4.420 4.556 -0.000 0.000 0.298 126 H C 2.448 177.721 175.328 -0.093 0.000 1.087 126 H CA 2.246 58.235 56.048 -0.098 0.000 1.291 126 H CB -0.782 29.146 29.762 0.276 0.000 1.369 126 H HN 0.308 nan 8.280 nan 0.000 0.492 127 L N -0.089 121.223 121.223 0.149 0.000 2.201 127 L HA -0.073 4.267 4.340 0.000 0.000 0.212 127 L C 2.251 179.039 176.870 -0.136 0.000 1.105 127 L CA 1.119 55.937 54.840 -0.037 0.000 0.775 127 L CB -0.384 41.667 42.059 -0.013 0.000 0.913 127 L HN 0.446 nan 8.230 nan 0.000 0.440 128 G N -1.338 107.375 108.800 -0.146 0.000 2.453 128 G HA2 -0.255 3.705 3.960 0.000 0.000 0.215 128 G HA3 -0.255 3.705 3.960 0.000 0.000 0.215 128 G C 1.414 176.136 174.900 -0.296 0.000 1.147 128 G CA 0.255 45.255 45.100 -0.167 0.000 0.802 128 G HN 0.275 nan 8.290 nan 0.000 0.535 129 Q N -0.237 119.214 119.800 -0.581 0.000 2.250 129 Q HA 0.202 4.542 4.340 0.000 0.000 0.200 129 Q C -0.025 175.371 176.000 -1.007 0.000 0.941 129 Q CA 0.522 55.777 55.803 -0.913 0.000 0.872 129 Q CB -0.039 27.755 28.738 -1.573 0.000 0.965 129 Q HN 0.418 nan 8.270 nan 0.000 0.480 130 F N 0.945 120.729 119.950 -0.276 0.000 2.531 130 F HA 0.369 4.896 4.527 -0.000 0.000 0.333 130 F C -1.720 173.967 175.800 -0.188 0.000 1.292 130 F CA -1.950 55.926 58.000 -0.205 0.000 1.184 130 F CB 1.533 40.412 39.000 -0.201 0.000 1.426 130 F HN 0.034 nan 8.300 nan 0.000 0.559 131 P HA -0.180 nan 4.420 nan 0.000 0.221 131 P C 1.436 178.738 177.300 0.003 0.000 1.145 131 P CA 1.551 64.614 63.100 -0.062 0.000 0.795 131 P CB -0.112 31.541 31.700 -0.080 0.000 0.775 132 T N -3.407 111.133 114.554 -0.023 0.000 3.113 132 T HA 0.003 4.353 4.350 0.000 0.000 0.256 132 T C 1.821 176.555 174.700 0.056 0.000 1.131 132 T CA -0.035 62.057 62.100 -0.014 0.000 1.074 132 T CB -1.147 67.642 68.868 -0.131 0.000 0.944 132 T HN 0.016 nan 8.240 nan 0.000 0.516 133 L N 2.073 123.261 121.223 -0.058 0.000 2.021 133 L HA -0.217 4.123 4.340 0.000 0.000 0.215 133 L C 2.588 179.254 176.870 -0.339 0.000 1.074 133 L CA 2.432 57.138 54.840 -0.223 0.000 0.760 133 L CB -0.527 41.333 42.059 -0.332 0.000 0.889 133 L HN 0.525 nan 8.230 nan 0.000 0.433 134 E N -1.919 118.069 120.200 -0.354 0.000 2.516 134 E HA -0.196 4.154 4.350 0.000 0.000 0.199 134 E C 0.940 177.406 176.600 -0.223 0.000 1.069 134 E CA 0.652 56.834 56.400 -0.363 0.000 0.876 134 E CB -0.247 29.304 29.700 -0.248 0.000 0.843 134 E HN 0.657 nan 8.360 nan 0.000 0.530 135 Y N 1.074 121.292 120.300 -0.137 0.000 2.442 135 Y HA 0.220 4.770 4.550 -0.000 0.000 0.250 135 Y C 0.823 176.683 175.900 -0.068 0.000 1.113 135 Y CA -0.309 57.746 58.100 -0.074 0.000 1.273 135 Y CB 0.540 38.960 38.460 -0.066 0.000 1.138 135 Y HN -0.011 nan 8.280 nan 0.000 0.522 136 Q N 0.415 120.242 119.800 0.045 0.000 2.318 136 Q HA 0.556 4.896 4.340 0.000 0.000 0.222 136 Q C 0.172 176.169 176.000 -0.005 0.000 1.003 136 Q CA -0.592 55.213 55.803 0.004 0.000 0.936 136 Q CB 0.736 29.449 28.738 -0.041 0.000 1.204 136 Q HN 0.257 nan 8.270 nan 0.000 0.524 137 A N 0.846 123.662 122.820 -0.006 0.000 2.565 137 A HA 0.150 4.470 4.320 0.000 0.000 0.237 137 A C 0.108 177.696 177.584 0.006 0.000 1.053 137 A CA -0.083 51.955 52.037 -0.000 0.000 0.755 137 A CB -0.109 18.886 19.000 -0.007 0.000 0.980 137 A HN 0.697 nan 8.150 nan 0.000 0.506 138 L N -0.355 120.882 121.223 0.023 0.000 5.044 138 L HA -0.272 4.068 4.340 0.000 0.000 0.412 138 L C 1.491 178.418 176.870 0.095 0.000 0.971 138 L CA 2.191 57.058 54.840 0.046 0.000 1.411 138 L CB -1.971 40.111 42.059 0.038 0.000 1.884 138 L HN 1.208 nan 8.230 nan 0.000 0.631 139 A N -0.662 122.204 122.820 0.077 0.000 1.977 139 A HA 0.250 4.570 4.320 0.000 0.000 0.197 139 A C 1.804 179.439 177.584 0.086 0.000 1.554 139 A CA 0.403 52.519 52.037 0.132 0.000 1.037 139 A CB 0.026 18.995 19.000 -0.050 0.000 1.083 139 A HN 0.439 nan 8.150 nan 0.000 0.471 140 R N 0.998 121.509 120.500 0.019 0.000 2.307 140 R HA -0.008 4.332 4.340 0.000 0.000 0.199 140 R C 0.407 176.714 176.300 0.012 0.000 1.000 140 R CA 1.213 57.305 56.100 -0.013 0.000 1.023 140 R CB -0.370 29.918 30.300 -0.020 0.000 0.908 140 R HN 0.438 nan 8.270 nan 0.000 0.473 141 D N 1.469 121.889 120.400 0.034 0.000 2.328 141 D HA -0.038 4.602 4.640 0.000 0.000 0.221 141 D C 0.281 176.603 176.300 0.037 0.000 1.072 141 D CA -0.129 53.889 54.000 0.029 0.000 0.850 141 D CB 0.127 40.944 40.800 0.027 0.000 0.922 141 D HN 0.498 nan 8.370 nan 0.000 0.516 142 R N -1.201 119.333 120.500 0.058 0.000 2.747 142 R HA 0.282 4.622 4.340 0.000 0.000 0.272 142 R C -1.666 174.688 176.300 0.090 0.000 1.032 142 R CA -0.781 55.356 56.100 0.061 0.000 0.896 142 R CB -0.002 30.335 30.300 0.062 0.000 1.253 142 R HN -0.234 nan 8.270 nan 0.000 0.461 143 D N 0.816 121.257 120.400 0.070 0.000 2.508 143 D HA 0.040 4.680 4.640 0.000 0.000 0.224 143 D C 0.500 176.878 176.300 0.130 0.000 1.171 143 D CA -0.428 53.628 54.000 0.094 0.000 1.006 143 D CB -0.159 40.669 40.800 0.046 0.000 1.073 143 D HN 0.496 nan 8.370 nan 0.000 0.513 144 W N 4.027 125.362 121.300 0.059 0.000 2.311 144 W HA -0.186 4.474 4.660 0.000 0.000 0.326 144 W C 2.052 178.686 176.519 0.191 0.000 1.239 144 W CA 1.388 58.791 57.345 0.098 0.000 1.258 144 W CB -0.667 28.847 29.460 0.091 0.000 1.165 144 W HN 0.566 nan 8.180 nan 0.000 0.466 145 W N 1.064 122.509 121.300 0.241 0.000 2.338 145 W HA -0.211 4.449 4.660 0.000 0.000 0.304 145 W C 2.105 178.569 176.519 -0.093 0.000 1.212 145 W CA 1.613 59.010 57.345 0.087 0.000 1.264 145 W CB -0.812 28.778 29.460 0.217 0.000 1.142 145 W HN 0.070 nan 8.180 nan 0.000 0.512 146 G N 0.892 109.677 108.800 -0.026 0.000 2.418 146 G HA2 -0.282 3.678 3.960 0.000 0.000 0.217 146 G HA3 -0.282 3.678 3.960 0.000 0.000 0.217 146 G C 1.410 176.153 174.900 -0.261 0.000 1.158 146 G CA 1.341 46.329 45.100 -0.187 0.000 0.771 146 G HN 0.319 nan 8.290 nan 0.000 0.545 147 I N 1.224 121.650 120.570 -0.240 0.000 2.439 147 I HA -0.052 4.118 4.170 0.000 0.000 0.251 147 I C 3.219 179.109 176.117 -0.378 0.000 1.139 147 I CA 0.623 61.762 61.300 -0.268 0.000 1.438 147 I CB -0.147 37.716 38.000 -0.227 0.000 1.085 147 I HN 0.238 nan 8.210 nan 0.000 0.427 148 A N 0.635 123.117 122.820 -0.563 0.000 1.902 148 A HA -0.258 4.062 4.320 0.000 0.000 0.217 148 A C 2.267 179.594 177.584 -0.428 0.000 1.181 148 A CA 1.661 53.333 52.037 -0.609 0.000 0.623 148 A CB -0.536 17.955 19.000 -0.848 0.000 0.818 148 A HN 0.454 nan 8.150 nan 0.000 0.443 149 Q N -0.992 118.496 119.800 -0.521 0.000 2.083 149 Q HA 0.036 4.376 4.340 0.000 0.000 0.198 149 Q C 2.393 178.231 176.000 -0.270 0.000 0.969 149 Q CA 1.243 56.784 55.803 -0.438 0.000 0.838 149 Q CB -0.277 28.098 28.738 -0.604 0.000 0.900 149 Q HN 0.667 nan 8.270 nan 0.000 0.436 150 A N 0.548 123.219 122.820 -0.247 0.000 1.930 150 A HA -0.109 4.211 4.320 0.000 0.000 0.215 150 A C 1.773 179.282 177.584 -0.125 0.000 1.176 150 A CA 1.043 52.982 52.037 -0.163 0.000 0.632 150 A CB 0.110 19.023 19.000 -0.145 0.000 0.819 150 A HN 0.132 nan 8.150 nan 0.000 0.445 151 E N -0.658 119.457 120.200 -0.142 0.000 2.279 151 E HA 0.098 4.448 4.350 0.000 0.000 0.199 151 E C 2.051 178.610 176.600 -0.067 0.000 0.893 151 E CA 0.209 56.551 56.400 -0.097 0.000 0.978 151 E CB -0.285 29.347 29.700 -0.114 0.000 0.964 151 E HN 0.413 nan 8.360 nan 0.000 0.486 152 I N 2.010 122.503 120.570 -0.130 0.000 2.142 152 I HA -0.210 3.960 4.170 0.000 0.000 0.240 152 I C 2.676 178.776 176.117 -0.028 0.000 1.078 152 I CA 1.204 62.450 61.300 -0.089 0.000 1.343 152 I CB -1.195 36.701 38.000 -0.174 0.000 1.046 152 I HN 0.045 nan 8.210 nan 0.000 0.405 153 I N 1.072 121.601 120.570 -0.068 0.000 2.163 153 I HA -0.221 3.949 4.170 0.000 0.000 0.243 153 I C -0.341 175.761 176.117 -0.024 0.000 1.085 153 I CA 1.730 63.015 61.300 -0.025 0.000 1.347 153 I CB -1.792 36.196 38.000 -0.020 0.000 1.044 153 I HN 0.162 nan 8.210 nan 0.000 0.408 154 P HA -0.170 nan 4.420 nan 0.000 0.223 154 P C 1.573 178.848 177.300 -0.042 0.000 1.151 154 P CA 1.259 64.342 63.100 -0.028 0.000 0.787 154 P CB -0.060 31.624 31.700 -0.028 0.000 0.788 155 F N 0.009 119.875 119.950 -0.139 0.000 2.163 155 F HA -0.065 4.462 4.527 0.000 0.000 0.297 155 F C 1.890 177.552 175.800 -0.230 0.000 1.094 155 F CA 1.237 59.144 58.000 -0.155 0.000 1.290 155 F CB -0.693 38.231 39.000 -0.127 0.000 1.017 155 F HN -0.283 nan 8.300 nan 0.000 0.483 156 L N 0.126 121.229 121.223 -0.200 0.000 1.994 156 L HA -0.199 4.141 4.340 0.000 0.000 0.208 156 L C 2.855 179.341 176.870 -0.641 0.000 1.071 156 L CA 1.295 55.772 54.840 -0.605 0.000 0.745 156 L CB -1.350 40.064 42.059 -1.076 0.000 0.892 156 L HN 0.239 nan 8.230 nan 0.000 0.431 157 A N 0.086 122.720 122.820 -0.311 0.000 1.908 157 A HA -0.264 4.056 4.320 0.000 0.000 0.218 157 A C 2.456 180.006 177.584 -0.057 0.000 1.181 157 A CA 2.020 54.087 52.037 0.050 0.000 0.627 157 A CB -0.631 18.431 19.000 0.104 0.000 0.818 157 A HN 0.386 nan 8.150 nan 0.000 0.445 158 R N -1.041 119.333 120.500 -0.210 0.000 2.075 158 R HA -0.096 4.244 4.340 0.000 0.000 0.232 158 R C 1.945 178.014 176.300 -0.386 0.000 1.126 158 R CA 1.988 57.935 56.100 -0.256 0.000 0.963 158 R CB -0.475 29.654 30.300 -0.284 0.000 0.858 158 R HN 0.472 nan 8.270 nan 0.000 0.435 159 T N -0.674 113.464 114.554 -0.695 0.000 2.978 159 T HA -0.030 4.320 4.350 0.000 0.000 0.262 159 T C -0.050 174.140 174.700 -0.850 0.000 1.063 159 T CA 0.942 62.476 62.100 -0.943 0.000 1.140 159 T CB 0.006 67.916 68.868 -1.597 0.000 0.886 159 T HN 0.282 nan 8.240 nan 0.000 0.470 160 Y N 2.059 122.309 120.300 -0.083 0.000 2.562 160 Y HA 0.327 4.877 4.550 -0.000 0.000 0.363 160 Y C -2.566 173.519 175.900 0.308 0.000 0.991 160 Y CA -3.084 55.105 58.100 0.148 0.000 1.121 160 Y CB 0.551 39.179 38.460 0.279 0.000 1.159 160 Y HN 0.056 nan 8.280 nan 0.000 0.651 161 P HA -0.024 nan 4.420 nan 0.000 0.272 161 P C 1.147 178.559 177.300 0.186 0.000 1.223 161 P CA -0.130 63.092 63.100 0.203 0.000 0.784 161 P CB 1.867 33.623 31.700 0.094 0.000 0.923 162 L N 1.435 122.742 121.223 0.139 0.000 1.971 162 L HA -0.195 4.145 4.340 0.000 0.000 0.215 162 L C 1.554 178.481 176.870 0.095 0.000 1.072 162 L CA 2.630 57.529 54.840 0.098 0.000 0.758 162 L CB -1.255 40.848 42.059 0.074 0.000 0.889 162 L HN 0.841 nan 8.230 nan 0.000 0.433 163 G N -0.542 108.307 108.800 0.082 0.000 2.569 163 G HA2 -0.307 3.653 3.960 0.000 0.000 0.259 163 G HA3 -0.307 3.653 3.960 0.000 0.000 0.259 163 G C -0.320 174.621 174.900 0.067 0.000 1.263 163 G CA 0.165 45.308 45.100 0.072 0.000 0.928 163 G HN 0.470 nan 8.290 nan 0.000 0.572 164 E N -0.251 119.987 120.200 0.064 0.000 2.272 164 E HA 0.577 4.927 4.350 0.000 0.000 0.269 164 E C 0.365 177.003 176.600 0.062 0.000 0.877 164 E CA -0.355 56.081 56.400 0.060 0.000 0.755 164 E CB 1.869 31.598 29.700 0.049 0.000 1.192 164 E HN 1.061 nan 8.360 nan 0.000 0.422 165 A N 4.139 126.996 122.820 0.062 0.000 2.511 165 A HA 0.274 4.594 4.320 0.000 0.000 0.242 165 A C -1.904 175.710 177.584 0.050 0.000 1.069 165 A CA -0.792 51.282 52.037 0.061 0.000 0.763 165 A CB -0.363 18.668 19.000 0.050 0.000 1.001 165 A HN 0.361 nan 8.150 nan 0.000 0.498 166 P HA 0.228 nan 4.420 nan 0.000 0.274 166 P C -0.866 176.459 177.300 0.042 0.000 1.256 166 P CA -0.351 62.779 63.100 0.051 0.000 0.795 166 P CB 0.484 32.222 31.700 0.062 0.000 1.038 167 D N -0.487 119.937 120.400 0.039 0.000 2.389 167 D HA 0.353 4.993 4.640 0.000 0.000 0.247 167 D C 0.459 176.788 176.300 0.048 0.000 1.128 167 D CA 0.151 54.169 54.000 0.031 0.000 0.884 167 D CB 0.437 41.249 40.800 0.021 0.000 1.194 167 D HN 0.422 nan 8.370 nan 0.000 0.441 168 A N 2.354 125.199 122.820 0.041 0.000 2.492 168 A HA 0.061 4.381 4.320 0.000 0.000 0.236 168 A C -0.484 177.165 177.584 0.110 0.000 1.078 168 A CA -0.106 51.976 52.037 0.076 0.000 0.773 168 A CB -0.067 18.963 19.000 0.051 0.000 1.023 168 A HN 0.682 nan 8.150 nan 0.000 0.504 169 Y N 1.242 121.573 120.300 0.051 0.000 2.587 169 Y HA 0.387 4.937 4.550 0.000 0.000 0.344 169 Y C 0.368 176.312 175.900 0.073 0.000 1.061 169 Y CA 0.156 58.294 58.100 0.064 0.000 1.370 169 Y CB -0.047 38.466 38.460 0.089 0.000 1.163 169 Y HN 0.715 nan 8.280 nan 0.000 0.527 170 A N 6.035 128.598 122.820 -0.428 0.000 2.293 170 A HA 0.615 4.935 4.320 0.000 0.000 0.312 170 A C -1.233 176.043 177.584 -0.513 0.000 1.309 170 A CA -0.257 51.589 52.037 -0.317 0.000 0.839 170 A CB 0.404 19.316 19.000 -0.147 0.000 1.155 170 A HN 0.800 nan 8.150 nan 0.000 0.501 171 D N 0.712 120.851 120.400 -0.435 0.000 3.072 171 D HA 0.102 4.742 4.640 0.000 0.000 0.282 171 D C -2.208 174.166 176.300 0.124 0.000 1.110 171 D CA -0.351 53.499 54.000 -0.249 0.000 0.723 171 D CB 0.979 41.510 40.800 -0.449 0.000 1.350 171 D HN 0.307 nan 8.370 nan 0.000 0.451 172 D N 0.558 121.078 120.400 0.201 0.000 2.280 172 D HA 0.604 5.244 4.640 0.000 0.000 0.236 172 D C 0.130 176.670 176.300 0.400 0.000 1.082 172 D CA -0.255 53.956 54.000 0.353 0.000 0.834 172 D CB 1.650 42.584 40.800 0.223 0.000 1.100 172 D HN 0.390 nan 8.370 nan 0.000 0.486 173 A N 2.878 126.009 122.820 0.519 0.000 2.275 173 A HA 0.131 4.451 4.320 0.000 0.000 0.212 173 A C 1.014 178.781 177.584 0.304 0.000 1.201 173 A CA -0.149 52.054 52.037 0.277 0.000 0.843 173 A CB 0.024 18.992 19.000 -0.054 0.000 0.873 173 A HN 0.466 nan 8.150 nan 0.000 0.492 174 S N -0.046 115.914 115.700 0.433 0.000 2.550 174 S HA 0.436 4.906 4.470 0.000 0.000 0.285 174 S C 0.643 175.373 174.600 0.218 0.000 1.326 174 S CA 0.738 59.157 58.200 0.365 0.000 1.037 174 S CB 0.404 63.799 63.200 0.324 0.000 0.838 174 S HN 1.672 nan 8.310 nan 0.000 0.519 175 G N -0.077 108.834 108.800 0.185 0.000 2.353 175 G HA2 0.439 4.399 3.960 0.000 0.000 0.424 175 G HA3 0.439 4.399 3.960 0.000 0.000 0.424 175 G C -1.009 173.922 174.900 0.052 0.000 1.320 175 G CA -0.505 44.620 45.100 0.042 0.000 0.995 175 G HN 1.082 nan 8.290 nan 0.000 0.580 176 A N -0.428 122.355 122.820 -0.062 0.000 2.310 176 A HA 0.877 5.197 4.320 0.000 0.000 0.299 176 A C -0.953 176.555 177.584 -0.125 0.000 1.147 176 A CA -0.253 51.787 52.037 0.004 0.000 0.818 176 A CB 0.619 19.615 19.000 -0.006 0.000 1.096 176 A HN 1.219 nan 8.150 nan 0.000 0.495 177 Y N 0.207 120.498 120.300 -0.016 0.000 2.570 177 Y HA 0.538 5.088 4.550 0.000 0.000 0.345 177 Y C -0.002 175.884 175.900 -0.024 0.000 1.014 177 Y CA -0.899 57.192 58.100 -0.015 0.000 1.063 177 Y CB 2.137 40.587 38.460 -0.016 0.000 1.272 177 Y HN 0.414 nan 8.280 nan 0.000 0.477 178 V N 3.974 123.975 119.914 0.146 0.000 2.483 178 V HA 0.585 4.705 4.120 0.000 0.000 0.295 178 V C -0.679 175.455 176.094 0.067 0.000 1.035 178 V CA -0.651 61.693 62.300 0.072 0.000 0.896 178 V CB 1.276 33.121 31.823 0.036 0.000 0.986 178 V HN 0.591 nan 8.190 nan 0.000 0.447 179 L N 2.856 124.102 121.223 0.040 0.000 2.309 179 L HA 1.148 5.488 4.340 0.000 0.000 0.261 179 L C -0.444 176.445 176.870 0.033 0.000 1.021 179 L CA -0.924 53.932 54.840 0.028 0.000 0.823 179 L CB 2.062 44.131 42.059 0.017 0.000 1.366 179 L HN 0.741 nan 8.230 nan 0.000 0.423 180 A N -0.377 122.445 122.820 0.003 0.000 2.547 180 A HA 0.999 5.319 4.320 0.000 0.000 0.297 180 A C -0.394 177.068 177.584 -0.203 0.000 1.056 180 A CA 0.197 52.184 52.037 -0.084 0.000 0.688 180 A CB 1.304 20.252 19.000 -0.086 0.000 1.282 180 A HN 1.629 nan 8.150 nan 0.000 0.400 181 G N 0.241 108.682 108.800 -0.599 0.000 2.435 181 G HA2 0.655 4.615 3.960 0.000 0.000 0.296 181 G HA3 0.655 4.615 3.960 0.000 0.000 0.296 181 G C -1.444 172.835 174.900 -1.034 0.000 1.240 181 G CA -0.561 44.125 45.100 -0.690 0.000 0.872 181 G HN 0.793 nan 8.290 nan 0.000 0.480 182 R N -0.506 119.626 120.500 -0.612 0.000 2.643 182 R HA 0.539 4.879 4.340 0.000 0.000 0.269 182 R C -1.600 174.837 176.300 0.228 0.000 1.037 182 R CA -0.644 55.332 56.100 -0.206 0.000 0.894 182 R CB 2.364 32.610 30.300 -0.091 0.000 1.238 182 R HN 0.552 nan 8.270 nan 0.000 0.459 183 Q N 4.295 124.345 119.800 0.416 0.000 2.394 183 Q HA 0.370 4.710 4.340 0.000 0.000 0.261 183 Q C -2.373 173.740 176.000 0.187 0.000 1.023 183 Q CA -2.091 53.928 55.803 0.361 0.000 0.720 183 Q CB 1.662 30.765 28.738 0.607 0.000 1.241 183 Q HN 0.263 nan 8.270 nan 0.000 0.483 184 P HA -0.059 nan 4.420 nan 0.000 0.263 184 P C 0.640 177.952 177.300 0.019 0.000 1.175 184 P CA 1.755 64.877 63.100 0.037 0.000 0.761 184 P CB 0.863 32.556 31.700 -0.013 0.000 0.794 185 G N 2.923 111.739 108.800 0.026 0.000 2.268 185 G HA2 -0.306 3.654 3.960 0.000 0.000 0.240 185 G HA3 -0.306 3.654 3.960 0.000 0.000 0.240 185 G C 1.131 176.042 174.900 0.017 0.000 1.010 185 G CA 0.474 45.571 45.100 -0.006 0.000 0.618 185 G HN 0.644 nan 8.290 nan 0.000 0.516 186 R N 0.061 120.590 120.500 0.049 0.000 2.215 186 R HA 0.523 4.863 4.340 0.000 0.000 0.190 186 R C 1.264 177.640 176.300 0.127 0.000 0.968 186 R CA 1.783 57.891 56.100 0.013 0.000 1.122 186 R CB 0.503 30.715 30.300 -0.146 0.000 1.151 186 R HN 1.687 nan 8.270 nan 0.000 0.582 187 G N 0.280 109.236 108.800 0.260 0.000 2.315 187 G HA2 -0.081 3.879 3.960 0.000 0.000 0.296 187 G HA3 -0.081 3.879 3.960 0.000 0.000 0.296 187 G C -1.790 173.344 174.900 0.391 0.000 1.289 187 G CA -0.557 44.715 45.100 0.286 0.000 0.996 187 G HN 0.189 nan 8.290 nan 0.000 0.487 188 D N -0.006 120.523 120.400 0.215 0.000 2.358 188 D HA 0.581 5.221 4.640 0.000 0.000 0.244 188 D C -0.214 176.098 176.300 0.020 0.000 1.163 188 D CA 1.117 55.130 54.000 0.021 0.000 0.945 188 D CB 1.237 42.011 40.800 -0.044 0.000 1.152 188 D HN 0.680 nan 8.370 nan 0.000 0.451 189 Y N -2.856 117.338 120.300 -0.176 0.000 2.656 189 Y HA 0.507 5.057 4.550 -0.000 0.000 0.334 189 Y C -0.642 175.123 175.900 -0.226 0.000 1.179 189 Y CA -1.114 56.750 58.100 -0.394 0.000 1.050 189 Y CB 0.851 38.695 38.460 -1.027 0.000 1.308 189 Y HN 0.377 nan 8.280 nan 0.000 0.456 190 T N -1.265 113.330 114.554 0.069 0.000 2.858 190 T HA 1.003 5.353 4.350 0.000 0.000 0.285 190 T C -0.042 174.694 174.700 0.060 0.000 1.052 190 T CA -0.545 61.588 62.100 0.055 0.000 1.009 190 T CB 1.618 70.489 68.868 0.005 0.000 1.241 190 T HN 2.108 nan 8.240 nan 0.000 0.542 191 G N -0.112 108.707 108.800 0.032 0.000 2.324 191 G HA2 0.489 4.449 3.960 0.000 0.000 0.293 191 G HA3 0.489 4.449 3.960 0.000 0.000 0.293 191 G C -2.073 172.830 174.900 0.006 0.000 1.297 191 G CA -1.055 44.044 45.100 -0.001 0.000 0.853 191 G HN 0.718 nan 8.290 nan 0.000 0.535 192 R N -0.809 119.688 120.500 -0.006 0.000 2.854 192 R HA 0.796 5.136 4.340 0.000 0.000 0.271 192 R C -1.061 175.236 176.300 -0.005 0.000 0.996 192 R CA -0.942 55.166 56.100 0.013 0.000 0.961 192 R CB 1.718 32.029 30.300 0.017 0.000 1.182 192 R HN 0.647 nan 8.270 nan 0.000 0.479 193 L N 1.571 122.808 121.223 0.023 0.000 2.482 193 L HA 0.467 4.807 4.340 0.000 0.000 0.269 193 L C -1.152 175.762 176.870 0.072 0.000 0.967 193 L CA -0.922 53.893 54.840 -0.042 0.000 0.851 193 L CB 1.922 43.853 42.059 -0.213 0.000 1.242 193 L HN 0.459 nan 8.230 nan 0.000 0.404 194 V N 4.811 124.757 119.914 0.053 0.000 2.604 194 V HA 0.650 4.770 4.120 0.000 0.000 0.305 194 V C -1.509 174.651 176.094 0.109 0.000 1.043 194 V CA -0.443 61.933 62.300 0.127 0.000 0.888 194 V CB 2.022 33.902 31.823 0.094 0.000 0.995 194 V HN 0.634 nan 8.190 nan 0.000 0.429 195 L N 5.217 126.549 121.223 0.182 0.000 2.346 195 L HA 0.759 5.099 4.340 0.000 0.000 0.276 195 L C -0.330 176.714 176.870 0.290 0.000 1.006 195 L CA -0.383 54.589 54.840 0.221 0.000 0.817 195 L CB 1.792 43.943 42.059 0.152 0.000 1.272 195 L HN 0.840 nan 8.230 nan 0.000 0.421 196 K N 2.880 123.469 120.400 0.315 0.000 2.579 196 K HA 0.367 4.687 4.320 0.000 0.000 0.250 196 K C -0.649 176.091 176.600 0.233 0.000 0.952 196 K CA -0.638 55.791 56.287 0.238 0.000 0.857 196 K CB 0.986 33.572 32.500 0.143 0.000 1.123 196 K HN 0.428 nan 8.250 nan 0.000 0.433 197 K N 2.419 122.924 120.400 0.174 0.000 2.485 197 K HA 0.329 4.649 4.320 0.000 0.000 0.277 197 K C -0.962 175.595 176.600 -0.072 0.000 0.990 197 K CA 0.529 56.749 56.287 -0.113 0.000 0.994 197 K CB 0.426 32.841 32.500 -0.142 0.000 0.906 197 K HN 0.638 nan 8.250 nan 0.000 0.488 198 A N 4.126 126.865 122.820 -0.135 0.000 2.768 198 A HA 0.537 4.857 4.320 0.000 0.000 0.298 198 A C 0.249 177.780 177.584 -0.089 0.000 1.159 198 A CA -0.091 51.906 52.037 -0.066 0.000 0.783 198 A CB 0.328 19.317 19.000 -0.020 0.000 1.333 198 A HN 1.116 nan 8.150 nan 0.000 0.412 199 G N 1.572 110.324 108.800 -0.080 0.000 2.536 199 G HA2 -0.262 3.698 3.960 0.000 0.000 0.280 199 G HA3 -0.262 3.698 3.960 0.000 0.000 0.280 199 G C 0.568 175.407 174.900 -0.101 0.000 1.152 199 G CA 0.549 45.607 45.100 -0.069 0.000 0.970 199 G HN 0.658 nan 8.290 nan 0.000 0.549 200 E N 1.998 122.150 120.200 -0.080 0.000 2.474 200 E HA 0.177 4.527 4.350 0.000 0.000 0.194 200 E C 0.401 176.941 176.600 -0.100 0.000 1.041 200 E CA 0.603 56.960 56.400 -0.073 0.000 0.874 200 E CB 0.160 29.846 29.700 -0.023 0.000 0.914 200 E HN 0.534 nan 8.360 nan 0.000 0.498 201 D N -0.547 119.780 120.400 -0.122 0.000 2.564 201 D HA 0.323 4.963 4.640 0.000 0.000 0.273 201 D C -0.396 175.798 176.300 -0.178 0.000 1.192 201 D CA -0.389 53.572 54.000 -0.066 0.000 1.080 201 D CB 0.654 41.443 40.800 -0.019 0.000 1.160 201 D HN -0.145 nan 8.370 nan 0.000 0.607 202 Y N -0.201 120.164 120.300 0.109 0.000 2.457 202 Y HA 0.242 4.792 4.550 -0.000 0.000 0.343 202 Y C 0.169 176.152 175.900 0.139 0.000 0.994 202 Y CA -0.812 57.396 58.100 0.180 0.000 1.031 202 Y CB 1.700 40.374 38.460 0.356 0.000 1.246 202 Y HN 0.030 nan 8.280 nan 0.000 0.449 203 E N 2.116 122.476 120.200 0.266 0.000 2.331 203 E HA 0.552 4.902 4.350 0.000 0.000 0.272 203 E C -1.180 175.542 176.600 0.205 0.000 1.036 203 E CA -0.476 56.026 56.400 0.172 0.000 0.864 203 E CB 1.467 31.237 29.700 0.117 0.000 1.035 203 E HN 0.269 nan 8.360 nan 0.000 0.408 204 V N 2.304 122.310 119.914 0.152 0.000 2.760 204 V HA 0.384 4.504 4.120 0.000 0.000 0.309 204 V C -0.486 175.652 176.094 0.074 0.000 1.077 204 V CA -0.800 61.579 62.300 0.132 0.000 0.910 204 V CB 2.386 34.327 31.823 0.197 0.000 1.008 204 V HN 0.678 nan 8.190 nan 0.000 0.424 205 T N 5.347 119.928 114.554 0.046 0.000 2.881 205 T HA 0.559 4.909 4.350 0.000 0.000 0.291 205 T C -0.649 174.055 174.700 0.007 0.000 0.990 205 T CA -0.270 61.850 62.100 0.033 0.000 0.976 205 T CB 1.368 70.252 68.868 0.027 0.000 0.970 205 T HN 0.692 nan 8.240 nan 0.000 0.438 206 M N 3.159 122.769 119.600 0.017 0.000 2.243 206 M HA 0.514 4.994 4.480 0.000 0.000 0.324 206 M C -1.154 175.160 176.300 0.024 0.000 1.031 206 M CA -0.293 54.990 55.300 -0.027 0.000 0.949 206 M CB 1.250 33.780 32.600 -0.117 0.000 1.615 206 M HN 0.473 nan 8.290 nan 0.000 0.430 207 T N 6.085 120.624 114.554 -0.026 0.000 2.797 207 T HA 0.586 4.936 4.350 0.000 0.000 0.279 207 T C -0.636 174.014 174.700 -0.083 0.000 0.991 207 T CA -0.538 61.543 62.100 -0.031 0.000 0.979 207 T CB 1.029 69.877 68.868 -0.033 0.000 0.943 207 T HN 0.606 nan 8.240 nan 0.000 0.444 208 L N 3.463 124.630 121.223 -0.094 0.000 2.313 208 L HA 0.495 4.835 4.340 0.000 0.000 0.283 208 L C -0.496 176.287 176.870 -0.146 0.000 1.013 208 L CA -0.926 53.760 54.840 -0.257 0.000 0.816 208 L CB 1.443 43.253 42.059 -0.415 0.000 1.236 208 L HN 0.548 nan 8.230 nan 0.000 0.419 209 D N 4.109 124.404 120.400 -0.176 0.000 2.441 209 D HA 0.403 5.043 4.640 0.000 0.000 0.231 209 D C -0.550 175.702 176.300 -0.081 0.000 1.073 209 D CA -0.057 53.914 54.000 -0.048 0.000 0.850 209 D CB 1.485 42.279 40.800 -0.010 0.000 1.062 209 D HN 0.066 nan 8.370 nan 0.000 0.524 210 F N 0.375 120.387 119.950 0.103 0.000 2.450 210 F HA 0.391 4.918 4.527 0.000 0.000 0.328 210 F C 1.777 177.627 175.800 0.083 0.000 1.068 210 F CA -0.991 57.086 58.000 0.129 0.000 1.007 210 F CB 1.030 40.107 39.000 0.129 0.000 1.251 210 F HN 0.338 nan 8.300 nan 0.000 0.492 211 A N 0.215 123.200 122.820 0.275 0.000 2.076 211 A HA -0.174 4.146 4.320 0.000 0.000 0.220 211 A C 1.183 178.850 177.584 0.138 0.000 1.160 211 A CA 1.872 54.005 52.037 0.159 0.000 0.653 211 A CB -1.086 17.990 19.000 0.126 0.000 0.801 211 A HN 0.767 nan 8.150 nan 0.000 0.455 212 D N -2.523 117.977 120.400 0.166 0.000 2.427 212 D HA 0.441 5.081 4.640 0.000 0.000 0.224 212 D C 0.622 176.981 176.300 0.099 0.000 1.157 212 D CA 0.557 54.618 54.000 0.103 0.000 0.828 212 D CB -0.196 40.643 40.800 0.065 0.000 0.974 212 D HN 0.685 nan 8.370 nan 0.000 0.498 213 G N -1.495 107.387 108.800 0.137 0.000 2.347 213 G HA2 0.315 4.275 3.960 0.000 0.000 0.477 213 G HA3 0.315 4.275 3.960 0.000 0.000 0.477 213 G C -1.044 173.956 174.900 0.167 0.000 1.349 213 G CA -0.652 44.515 45.100 0.113 0.000 1.000 213 G HN 0.169 nan 8.290 nan 0.000 0.605 214 S N -0.890 114.870 115.700 0.100 0.000 2.671 214 S HA 0.943 5.413 4.470 0.000 0.000 0.299 214 S C -0.095 174.519 174.600 0.024 0.000 1.116 214 S CA -0.762 57.489 58.200 0.085 0.000 0.912 214 S CB 2.318 65.535 63.200 0.029 0.000 1.130 214 S HN 0.909 nan 8.310 nan 0.000 0.501 215 R N 0.329 120.818 120.500 -0.019 0.000 2.594 215 R HA 0.522 4.862 4.340 0.000 0.000 0.265 215 R C -1.865 174.261 176.300 -0.290 0.000 1.070 215 R CA -0.240 55.751 56.100 -0.181 0.000 0.909 215 R CB 1.487 31.662 30.300 -0.209 0.000 1.243 215 R HN 0.684 nan 8.270 nan 0.000 0.455 216 S N 2.859 118.293 115.700 -0.443 0.000 2.513 216 S HA 0.689 5.159 4.470 0.000 0.000 0.299 216 S C -1.369 172.873 174.600 -0.596 0.000 1.087 216 S CA -0.464 57.526 58.200 -0.350 0.000 1.012 216 S CB 0.932 64.034 63.200 -0.164 0.000 1.044 216 S HN 0.344 nan 8.310 nan 0.000 0.485 217 F N 0.786 120.665 119.950 -0.118 0.000 2.561 217 F HA 0.700 5.227 4.527 0.000 0.000 0.321 217 F C 0.521 176.272 175.800 -0.083 0.000 1.065 217 F CA -0.697 57.237 58.000 -0.109 0.000 0.934 217 F CB 1.967 40.874 39.000 -0.156 0.000 1.215 217 F HN 0.370 nan 8.300 nan 0.000 0.471 218 S N 0.053 115.817 115.700 0.107 0.000 2.541 218 S HA 0.910 5.380 4.470 0.000 0.000 0.280 218 S C -0.230 174.397 174.600 0.046 0.000 1.112 218 S CA -0.602 57.632 58.200 0.057 0.000 0.925 218 S CB 2.080 65.294 63.200 0.024 0.000 1.067 218 S HN 1.138 nan 8.310 nan 0.000 0.479 219 G N 0.933 109.757 108.800 0.040 0.000 2.450 219 G HA2 0.545 4.505 3.960 0.000 0.000 0.273 219 G HA3 0.545 4.505 3.960 0.000 0.000 0.273 219 G C -1.523 173.395 174.900 0.030 0.000 1.221 219 G CA -0.460 44.653 45.100 0.021 0.000 0.900 219 G HN 0.649 nan 8.290 nan 0.000 0.483 220 T N -0.526 114.026 114.554 -0.003 0.000 2.885 220 T HA 0.775 5.125 4.350 0.000 0.000 0.285 220 T C 0.112 174.762 174.700 -0.083 0.000 1.019 220 T CA 0.273 62.371 62.100 -0.004 0.000 1.010 220 T CB 1.655 70.508 68.868 -0.024 0.000 1.022 220 T HN 1.344 nan 8.240 nan 0.000 0.466 221 G N 1.059 109.802 108.800 -0.095 0.000 2.695 221 G HA2 0.825 4.785 3.960 0.000 0.000 0.290 221 G HA3 0.825 4.785 3.960 0.000 0.000 0.290 221 G C -1.622 173.012 174.900 -0.442 0.000 1.410 221 G CA -1.049 43.745 45.100 -0.511 0.000 0.844 221 G HN 0.846 nan 8.290 nan 0.000 0.478 222 R N -1.006 119.007 120.500 -0.812 0.000 2.712 222 R HA 0.559 4.899 4.340 0.000 0.000 0.272 222 R C -1.835 174.333 176.300 -0.219 0.000 1.032 222 R CA -0.954 55.004 56.100 -0.237 0.000 0.874 222 R CB 1.109 31.340 30.300 -0.116 0.000 1.256 222 R HN 0.418 nan 8.270 nan 0.000 0.468 223 I N 2.426 123.080 120.570 0.141 0.000 2.354 223 I HA 0.348 4.518 4.170 0.000 0.000 0.292 223 I C -0.477 175.705 176.117 0.107 0.000 0.989 223 I CA -1.017 60.384 61.300 0.168 0.000 1.188 223 I CB 1.644 39.757 38.000 0.189 0.000 1.342 223 I HN 0.315 nan 8.210 nan 0.000 0.457 224 L N 6.189 127.452 121.223 0.068 0.000 2.313 224 L HA 0.699 5.039 4.340 0.000 0.000 0.283 224 L C 0.895 177.811 176.870 0.076 0.000 1.013 224 L CA -0.292 54.580 54.840 0.052 0.000 0.816 224 L CB 1.300 43.370 42.059 0.019 0.000 1.236 224 L HN 0.919 nan 8.230 nan 0.000 0.419 225 G N 2.428 111.270 108.800 0.070 0.000 2.550 225 G HA2 -0.329 3.631 3.960 0.000 0.000 0.277 225 G HA3 -0.329 3.631 3.960 0.000 0.000 0.277 225 G C 0.824 175.799 174.900 0.125 0.000 1.190 225 G CA 0.462 45.607 45.100 0.076 0.000 0.971 225 G HN 0.872 nan 8.290 nan 0.000 0.559 226 A N -0.911 121.979 122.820 0.117 0.000 1.930 226 A HA 0.459 4.779 4.320 0.000 0.000 0.217 226 A C 2.220 179.904 177.584 0.168 0.000 1.175 226 A CA 2.790 54.912 52.037 0.142 0.000 0.627 226 A CB -0.411 18.653 19.000 0.106 0.000 0.815 226 A HN 2.672 nan 8.150 nan 0.000 0.443 227 G N -0.795 108.073 108.800 0.113 0.000 5.413 227 G HA2 0.255 4.215 3.960 0.000 0.000 0.206 227 G HA3 0.255 4.215 3.960 0.000 0.000 0.206 227 G C -0.785 174.168 174.900 0.087 0.000 0.794 227 G CA -0.486 44.647 45.100 0.055 0.000 0.751 227 G HN 0.122 nan 8.290 nan 0.000 0.334 228 E N 1.148 121.414 120.200 0.111 0.000 2.044 228 E HA 0.125 4.475 4.350 0.000 0.000 0.282 228 E C -0.617 176.090 176.600 0.177 0.000 1.031 228 E CA -0.650 55.832 56.400 0.137 0.000 0.824 228 E CB 1.251 31.005 29.700 0.091 0.000 1.076 228 E HN 0.471 nan 8.360 nan 0.000 0.395 229 W N 4.850 126.198 121.300 0.081 0.000 2.338 229 W HA 0.385 5.045 4.660 0.000 0.000 0.307 229 W C -0.785 175.724 176.519 -0.016 0.000 1.167 229 W CA -0.537 56.859 57.345 0.086 0.000 1.208 229 W CB 0.833 30.465 29.460 0.286 0.000 1.228 229 W HN 0.347 nan 8.180 nan 0.000 0.499 230 R N 4.014 124.052 120.500 -0.771 0.000 2.575 230 R HA 0.674 5.014 4.340 0.000 0.000 0.293 230 R C -1.167 174.559 176.300 -0.957 0.000 0.983 230 R CA -0.258 55.442 56.100 -0.667 0.000 0.887 230 R CB 1.898 31.994 30.300 -0.339 0.000 1.184 230 R HN 0.490 nan 8.270 nan 0.000 0.445 231 A N 1.520 123.925 122.820 -0.690 0.000 2.572 231 A HA 0.700 5.020 4.320 0.000 0.000 0.295 231 A C -1.289 176.121 177.584 -0.289 0.000 1.072 231 A CA -0.651 51.090 52.037 -0.493 0.000 0.691 231 A CB 2.139 20.922 19.000 -0.361 0.000 1.291 231 A HN 0.531 nan 8.150 nan 0.000 0.404 232 T N 1.855 116.289 114.554 -0.199 0.000 2.815 232 T HA 0.598 4.948 4.350 0.000 0.000 0.289 232 T C -0.924 173.722 174.700 -0.090 0.000 1.000 232 T CA -0.086 61.928 62.100 -0.143 0.000 0.958 232 T CB 0.350 69.151 68.868 -0.112 0.000 0.944 232 T HN 0.437 nan 8.240 nan 0.000 0.442 233 L N 2.628 123.801 121.223 -0.084 0.000 2.341 233 L HA 0.858 5.198 4.340 0.000 0.000 0.267 233 L C 0.304 177.204 176.870 0.049 0.000 1.009 233 L CA -0.665 54.167 54.840 -0.014 0.000 0.819 233 L CB 2.105 44.154 42.059 -0.016 0.000 1.323 233 L HN 0.731 nan 8.230 nan 0.000 0.425 234 S N -0.931 114.836 115.700 0.113 0.000 2.627 234 S HA 0.880 5.350 4.470 0.000 0.000 0.283 234 S C -1.534 173.143 174.600 0.129 0.000 1.127 234 S CA -0.686 57.598 58.200 0.141 0.000 0.863 234 S CB 2.393 65.628 63.200 0.058 0.000 1.121 234 S HN 0.616 nan 8.310 nan 0.000 0.479 235 D N -0.776 119.671 120.400 0.077 0.000 2.419 235 D HA 0.514 5.154 4.640 0.000 0.000 0.219 235 D C 0.583 176.856 176.300 -0.045 0.000 1.349 235 D CA 1.151 55.103 54.000 -0.081 0.000 0.964 235 D CB 0.658 41.231 40.800 -0.379 0.000 1.463 235 D HN 1.183 nan 8.370 nan 0.000 0.573 236 G N 2.618 111.395 108.800 -0.039 0.000 2.550 236 G HA2 -0.322 3.638 3.960 0.000 0.000 0.277 236 G HA3 -0.322 3.638 3.960 0.000 0.000 0.277 236 G C 1.039 175.940 174.900 0.002 0.000 1.190 236 G CA 0.726 45.811 45.100 -0.024 0.000 0.971 236 G HN 1.092 nan 8.290 nan 0.000 0.559 237 T N -1.469 113.090 114.554 0.009 0.000 3.169 237 T HA 0.497 4.847 4.350 0.000 0.000 0.250 237 T C 0.694 175.417 174.700 0.039 0.000 1.111 237 T CA 0.860 62.972 62.100 0.019 0.000 1.010 237 T CB 0.195 69.070 68.868 0.013 0.000 0.984 237 T HN 0.990 nan 8.240 nan 0.000 0.537 238 V N 1.961 121.912 119.914 0.063 0.000 2.439 238 V HA 0.506 4.626 4.120 0.000 0.000 0.282 238 V C 0.071 176.244 176.094 0.132 0.000 1.039 238 V CA -0.457 61.908 62.300 0.109 0.000 0.913 238 V CB 1.485 33.411 31.823 0.172 0.000 0.983 238 V HN 0.406 nan 8.190 nan 0.000 0.460 239 T N 6.313 120.922 114.554 0.092 0.000 2.861 239 T HA 0.713 5.063 4.350 0.000 0.000 0.287 239 T C -0.438 174.266 174.700 0.007 0.000 1.003 239 T CA -0.242 61.889 62.100 0.053 0.000 0.977 239 T CB 1.350 70.232 68.868 0.023 0.000 0.996 239 T HN 0.656 nan 8.240 nan 0.000 0.448 240 I N -0.280 120.244 120.570 -0.075 0.000 3.002 240 I HA 0.802 4.972 4.170 0.000 0.000 0.310 240 I C -0.893 175.098 176.117 -0.209 0.000 1.087 240 I CA -1.363 59.852 61.300 -0.141 0.000 1.017 240 I CB 2.167 40.000 38.000 -0.278 0.000 1.226 240 I HN 0.300 nan 8.210 nan 0.000 0.443 241 R N 2.623 122.927 120.500 -0.327 0.000 2.621 241 R HA 0.481 4.821 4.340 0.000 0.000 0.292 241 R C -1.330 174.748 176.300 -0.370 0.000 0.969 241 R CA -0.817 55.052 56.100 -0.385 0.000 0.887 241 R CB 2.433 32.449 30.300 -0.473 0.000 1.180 241 R HN 0.690 nan 8.270 nan 0.000 0.450 242 Q N 2.336 121.910 119.800 -0.377 0.000 2.293 242 Q HA 0.487 4.827 4.340 0.000 0.000 0.261 242 Q C -0.423 175.260 176.000 -0.528 0.000 0.960 242 Q CA -0.362 55.076 55.803 -0.608 0.000 0.882 242 Q CB 2.121 30.388 28.738 -0.785 0.000 1.275 242 Q HN 0.474 nan 8.270 nan 0.000 0.445 243 I N 3.853 124.174 120.570 -0.414 0.000 2.623 243 I HA 0.350 4.520 4.170 0.000 0.000 0.275 243 I C -0.930 175.347 176.117 0.267 0.000 1.108 243 I CA -0.142 61.126 61.300 -0.054 0.000 1.120 243 I CB 0.408 38.447 38.000 0.064 0.000 1.249 243 I HN 0.459 nan 8.210 nan 0.000 0.500 244 F N 2.867 123.011 119.950 0.323 0.000 2.575 244 F HA 0.818 5.345 4.527 0.000 0.000 0.330 244 F C 0.538 176.508 175.800 0.283 0.000 1.056 244 F CA -1.341 56.847 58.000 0.313 0.000 0.964 244 F CB 1.861 41.074 39.000 0.355 0.000 1.258 244 F HN 0.292 nan 8.300 nan 0.000 0.484 245 A N 2.384 125.445 122.820 0.402 0.000 2.318 245 A HA 0.618 4.938 4.320 0.000 0.000 0.324 245 A C -1.381 176.264 177.584 0.101 0.000 1.170 245 A CA -0.591 51.574 52.037 0.213 0.000 0.810 245 A CB 1.185 20.264 19.000 0.133 0.000 1.198 245 A HN 0.736 nan 8.150 nan 0.000 0.484 246 L N 2.844 124.052 121.223 -0.026 0.000 2.294 246 L HA 0.567 4.907 4.340 0.000 0.000 0.283 246 L C -0.654 176.088 176.870 -0.213 0.000 1.015 246 L CA -0.116 54.514 54.840 -0.351 0.000 0.831 246 L CB 1.156 42.834 42.059 -0.635 0.000 1.217 246 L HN 0.974 nan 8.230 nan 0.000 0.420 247 Q N 4.676 124.369 119.800 -0.178 0.000 2.268 247 Q HA 0.237 4.577 4.340 0.000 0.000 0.266 247 Q C -1.083 174.885 176.000 -0.053 0.000 1.006 247 Q CA -0.476 55.291 55.803 -0.059 0.000 0.824 247 Q CB 1.682 30.411 28.738 -0.014 0.000 1.306 247 Q HN 0.700 nan 8.270 nan 0.000 0.424 248 D N 3.171 123.569 120.400 -0.003 0.000 2.746 248 D HA -0.190 4.450 4.640 0.000 0.000 0.236 248 D C 0.609 176.898 176.300 -0.018 0.000 1.129 248 D CA 1.657 55.658 54.000 0.001 0.000 0.691 248 D CB -1.368 39.431 40.800 -0.002 0.000 1.077 248 D HN 1.148 nan 8.370 nan 0.000 0.432 249 G N 0.257 109.038 108.800 -0.031 0.000 2.166 249 G HA2 -0.389 3.571 3.960 0.000 0.000 0.260 249 G HA3 -0.389 3.571 3.960 0.000 0.000 0.260 249 G C 0.319 175.179 174.900 -0.067 0.000 0.986 249 G CA 0.870 45.948 45.100 -0.035 0.000 0.683 249 G HN 0.722 nan 8.290 nan 0.000 0.527 250 R N -0.709 119.696 120.500 -0.159 0.000 2.494 250 R HA 0.678 5.018 4.340 0.000 0.000 0.305 250 R C -0.796 175.329 176.300 -0.291 0.000 0.959 250 R CA -0.976 55.043 56.100 -0.134 0.000 0.864 250 R CB 0.655 30.925 30.300 -0.050 0.000 1.159 250 R HN -0.016 nan 8.270 nan 0.000 0.446 251 F N 1.700 121.524 119.950 -0.210 0.000 2.394 251 F HA 0.411 4.938 4.527 -0.000 0.000 0.340 251 F C 0.564 176.170 175.800 -0.323 0.000 1.105 251 F CA 0.025 57.833 58.000 -0.321 0.000 1.124 251 F CB 2.131 40.803 39.000 -0.545 0.000 1.145 251 F HN 0.397 nan 8.300 nan 0.000 0.505 252 S N 1.732 117.389 115.700 -0.073 0.000 2.546 252 S HA 0.852 5.322 4.470 0.000 0.000 0.272 252 S C -0.406 174.170 174.600 -0.041 0.000 1.140 252 S CA 0.125 58.258 58.200 -0.111 0.000 0.920 252 S CB 1.320 64.506 63.200 -0.024 0.000 1.083 252 S HN 1.183 nan 8.310 nan 0.000 0.476 253 G N 3.058 111.818 108.800 -0.066 0.000 2.368 253 G HA2 0.336 4.296 3.960 0.000 0.000 0.269 253 G HA3 0.336 4.296 3.960 0.000 0.000 0.269 253 G C -1.796 173.293 174.900 0.315 0.000 1.291 253 G CA -0.824 44.412 45.100 0.227 0.000 0.903 253 G HN 0.797 nan 8.290 nan 0.000 0.483 254 R N -0.151 120.656 120.500 0.511 0.000 2.750 254 R HA 0.666 5.006 4.340 0.000 0.000 0.281 254 R C -0.849 175.715 176.300 0.440 0.000 0.972 254 R CA -0.953 55.367 56.100 0.368 0.000 0.912 254 R CB 1.481 31.870 30.300 0.148 0.000 1.187 254 R HN 0.885 nan 8.270 nan 0.000 0.464 255 W N 4.228 125.698 121.300 0.284 0.000 2.799 255 W HA 0.521 5.181 4.660 0.000 0.000 0.349 255 W C -1.253 175.288 176.519 0.037 0.000 1.100 255 W CA -0.850 56.507 57.345 0.020 0.000 1.174 255 W CB 0.866 30.318 29.460 -0.014 0.000 1.427 255 W HN 0.757 nan 8.180 nan 0.000 0.547 256 H N -0.955 118.185 119.070 0.118 0.000 2.990 256 H HA 0.214 4.770 4.556 0.000 0.000 0.336 256 H C -1.352 174.050 175.328 0.124 0.000 1.306 256 H CA -0.788 55.216 56.048 -0.074 0.000 1.118 256 H CB 1.419 31.101 29.762 -0.133 0.000 1.856 256 H HN 0.359 nan 8.280 nan 0.000 0.538 257 D N 0.276 120.818 120.400 0.237 0.000 2.425 257 D HA 0.103 4.743 4.640 0.000 0.000 0.247 257 D C 1.039 177.475 176.300 0.227 0.000 1.147 257 D CA 0.509 54.622 54.000 0.188 0.000 0.879 257 D CB 1.360 42.242 40.800 0.138 0.000 1.179 257 D HN 0.632 nan 8.370 nan 0.000 0.456 258 A N 3.995 126.880 122.820 0.108 0.000 2.121 258 A HA -0.120 4.200 4.320 0.000 0.000 0.218 258 A C 1.309 178.951 177.584 0.097 0.000 1.154 258 A CA 0.883 52.980 52.037 0.101 0.000 0.679 258 A CB 0.156 19.167 19.000 0.019 0.000 0.795 258 A HN 0.552 nan 8.150 nan 0.000 0.458 259 D N -1.167 119.279 120.400 0.077 0.000 2.369 259 D HA 0.179 4.819 4.640 0.000 0.000 0.211 259 D C -0.177 176.139 176.300 0.026 0.000 1.077 259 D CA 0.615 54.640 54.000 0.041 0.000 0.842 259 D CB 0.537 41.355 40.800 0.030 0.000 0.947 259 D HN 0.188 nan 8.370 nan 0.000 0.509 260 S N 0.819 116.543 115.700 0.041 0.000 2.441 260 S HA 0.042 4.512 4.470 0.000 0.000 0.187 260 S C -0.070 174.517 174.600 -0.022 0.000 0.917 260 S CA -0.660 57.536 58.200 -0.007 0.000 1.078 260 S CB 0.238 63.432 63.200 -0.010 0.000 1.379 260 S HN 0.006 nan 8.310 nan 0.000 0.399 261 D N 2.451 122.780 120.400 -0.118 0.000 2.351 261 D HA -0.082 4.558 4.640 0.000 0.000 0.216 261 D C 1.485 177.632 176.300 -0.255 0.000 0.968 261 D CA 0.702 54.496 54.000 -0.343 0.000 0.899 261 D CB -0.009 40.344 40.800 -0.745 0.000 0.907 261 D HN 0.360 nan 8.370 nan 0.000 0.514 262 V N 0.325 120.137 119.914 -0.171 0.000 2.809 262 V HA -0.035 4.085 4.120 0.000 0.000 0.256 262 V C 1.233 177.236 176.094 -0.151 0.000 1.080 262 V CA 0.676 62.877 62.300 -0.165 0.000 1.102 262 V CB -0.502 31.233 31.823 -0.146 0.000 0.705 262 V HN 0.292 nan 8.190 nan 0.000 0.475 263 I N 0.422 120.923 120.570 -0.114 0.000 2.315 263 I HA 0.635 4.805 4.170 0.000 0.000 0.291 263 I C 0.589 176.602 176.117 -0.173 0.000 1.006 263 I CA 0.293 61.528 61.300 -0.108 0.000 1.265 263 I CB 1.009 38.984 38.000 -0.041 0.000 1.387 263 I HN 0.222 nan 8.210 nan 0.000 0.475 264 G N 3.747 112.339 108.800 -0.345 0.000 2.341 264 G HA2 0.639 4.599 3.960 0.000 0.000 0.299 264 G HA3 0.639 4.599 3.960 0.000 0.000 0.299 264 G C -1.396 172.917 174.900 -0.978 0.000 1.274 264 G CA -0.209 44.375 45.100 -0.860 0.000 0.853 264 G HN 0.792 nan 8.290 nan 0.000 0.493 265 G N -1.080 106.796 108.800 -1.540 0.000 2.690 265 G HA2 0.667 4.627 3.960 0.000 0.000 0.291 265 G HA3 0.667 4.627 3.960 0.000 0.000 0.291 265 G C -1.517 173.196 174.900 -0.311 0.000 1.403 265 G CA -0.722 43.995 45.100 -0.637 0.000 0.864 265 G HN 0.616 nan 8.290 nan 0.000 0.480 266 R N -0.574 119.950 120.500 0.040 0.000 2.604 266 R HA 0.847 5.187 4.340 0.000 0.000 0.287 266 R C -0.655 175.735 176.300 0.151 0.000 0.970 266 R CA -0.485 55.668 56.100 0.088 0.000 0.946 266 R CB 1.232 31.549 30.300 0.028 0.000 1.127 266 R HN 0.927 nan 8.270 nan 0.000 0.473 267 L N -0.063 121.207 121.223 0.078 0.000 2.892 267 L HA 0.974 5.314 4.340 0.000 0.000 0.269 267 L C -1.778 175.008 176.870 -0.141 0.000 1.058 267 L CA -1.014 53.827 54.840 0.002 0.000 0.923 267 L CB 1.390 43.544 42.059 0.158 0.000 1.518 267 L HN 0.674 nan 8.230 nan 0.000 0.402 268 A N 0.010 122.755 122.820 -0.125 0.000 2.486 268 A HA 1.072 5.392 4.320 0.000 0.000 0.300 268 A C -1.038 176.492 177.584 -0.089 0.000 1.048 268 A CA -0.034 51.928 52.037 -0.124 0.000 0.696 268 A CB 1.669 20.629 19.000 -0.067 0.000 1.278 268 A HN 2.118 nan 8.150 nan 0.000 0.405 269 A N 0.734 123.520 122.820 -0.057 0.000 2.455 269 A HA 0.825 5.145 4.320 0.000 0.000 0.300 269 A C -0.594 177.097 177.584 0.177 0.000 1.040 269 A CA -0.023 52.033 52.037 0.031 0.000 0.697 269 A CB 1.324 20.280 19.000 -0.074 0.000 1.265 269 A HN 2.351 nan 8.150 nan 0.000 0.407 270 V N -0.912 119.143 119.914 0.235 0.000 3.078 270 V HA 0.783 4.903 4.120 0.000 0.000 0.311 270 V C -0.355 175.830 176.094 0.151 0.000 1.138 270 V CA -1.418 61.021 62.300 0.232 0.000 1.007 270 V CB 1.510 33.379 31.823 0.076 0.000 1.045 270 V HN 0.784 nan 8.190 nan 0.000 0.432 271 K N 2.165 122.511 120.400 -0.090 0.000 2.530 271 K HA 0.316 4.636 4.320 0.000 0.000 0.280 271 K C 1.284 177.787 176.600 -0.161 0.000 1.004 271 K CA 1.035 57.109 56.287 -0.355 0.000 1.071 271 K CB 0.660 32.983 32.500 -0.295 0.000 0.876 271 K HN 1.048 nan 8.250 nan 0.000 0.487 272 A N 3.442 126.166 122.820 -0.160 0.000 2.024 272 A HA -0.192 4.128 4.320 0.000 0.000 0.220 272 A C 1.085 178.633 177.584 -0.061 0.000 1.164 272 A CA 1.994 53.988 52.037 -0.071 0.000 0.643 272 A CB -0.535 18.433 19.000 -0.054 0.000 0.806 272 A HN 0.876 nan 8.150 nan 0.000 0.451 273 D N -0.802 119.550 120.400 -0.080 0.000 2.340 273 D HA 0.450 5.090 4.640 0.000 0.000 0.217 273 D C 0.681 176.953 176.300 -0.047 0.000 1.081 273 D CA 0.319 54.285 54.000 -0.056 0.000 0.842 273 D CB -0.328 40.437 40.800 -0.058 0.000 0.934 273 D HN 0.406 nan 8.370 nan 0.000 0.511 274 A N 0.492 123.282 122.820 -0.051 0.000 2.429 274 A HA 0.516 4.836 4.320 0.000 0.000 0.242 274 A C 0.928 178.498 177.584 -0.023 0.000 1.088 274 A CA -0.067 51.949 52.037 -0.036 0.000 0.784 274 A CB -0.071 18.910 19.000 -0.032 0.000 1.038 274 A HN 0.434 nan 8.150 nan 0.000 0.501 275 A N 1.234 124.043 122.820 -0.018 0.000 2.386 275 A HA 0.531 4.851 4.320 0.000 0.000 0.246 275 A C -2.201 175.377 177.584 -0.010 0.000 1.089 275 A CA -1.138 50.891 52.037 -0.013 0.000 0.790 275 A CB -0.916 18.078 19.000 -0.010 0.000 1.042 275 A HN 0.639 nan 8.150 nan 0.000 0.497 276 P HA 0.025 nan 4.420 nan 0.000 0.257 276 P C -0.645 176.652 177.300 -0.005 0.000 1.162 276 P CA 1.019 64.116 63.100 -0.006 0.000 0.762 276 P CB 0.090 31.787 31.700 -0.005 0.000 0.753 277 Q N 2.264 122.061 119.800 -0.005 0.000 2.327 277 Q HA 0.381 4.721 4.340 0.000 0.000 0.265 277 Q C -1.850 174.147 176.000 -0.005 0.000 0.993 277 Q CA -0.689 55.112 55.803 -0.004 0.000 0.885 277 Q CB 1.583 30.319 28.738 -0.003 0.000 1.379 277 Q HN 0.081 nan 8.270 nan 0.000 0.408 278 V N 5.911 125.822 119.914 -0.006 0.000 2.407 278 V HA 0.243 4.363 4.120 0.000 0.000 0.278 278 V C 0.818 176.905 176.094 -0.012 0.000 1.037 278 V CA -0.136 62.158 62.300 -0.009 0.000 0.900 278 V CB 1.295 33.113 31.823 -0.008 0.000 0.983 278 V HN 0.887 nan 8.190 nan 0.000 0.459 279 L N 3.535 124.748 121.223 -0.017 0.000 2.286 279 L HA 0.575 4.915 4.340 0.000 0.000 0.203 279 L C 0.854 177.702 176.870 -0.036 0.000 1.068 279 L CA 1.007 55.832 54.840 -0.024 0.000 0.811 279 L CB 0.154 42.198 42.059 -0.025 0.000 0.989 279 L HN 0.784 nan 8.230 nan 0.000 0.467 280 A N -0.914 121.882 122.820 -0.040 0.000 2.567 280 A HA 0.568 4.888 4.320 0.000 0.000 0.291 280 A C -1.888 175.670 177.584 -0.045 0.000 1.048 280 A CA -0.356 51.651 52.037 -0.050 0.000 0.661 280 A CB 1.556 20.509 19.000 -0.079 0.000 1.288 280 A HN -0.222 nan 8.150 nan 0.000 0.424 281 V N 0.135 120.022 119.914 -0.045 0.000 2.623 281 V HA 0.840 4.960 4.120 0.000 0.000 0.304 281 V C -0.491 175.576 176.094 -0.045 0.000 1.054 281 V CA 0.345 62.623 62.300 -0.036 0.000 0.882 281 V CB 1.298 33.106 31.823 -0.024 0.000 1.002 281 V HN 2.327 nan 8.190 nan 0.000 0.424 282 A N 7.888 130.682 122.820 -0.042 0.000 2.359 282 A HA 0.979 5.299 4.320 0.000 0.000 0.303 282 A C -3.046 174.521 177.584 -0.028 0.000 1.066 282 A CA -1.657 50.353 52.037 -0.044 0.000 0.730 282 A CB 1.884 20.853 19.000 -0.052 0.000 1.211 282 A HN 0.688 nan 8.150 nan 0.000 0.439 283 P HA 0.417 nan 4.420 nan 0.000 0.275 283 P C 0.531 177.804 177.300 -0.046 0.000 1.266 283 P CA 0.057 63.124 63.100 -0.055 0.000 0.793 283 P CB 0.950 32.613 31.700 -0.062 0.000 1.074 284 A N 0.429 123.212 122.820 -0.062 0.000 2.430 284 A HA 0.168 4.488 4.320 0.000 0.000 0.243 284 A C 0.505 178.076 177.584 -0.021 0.000 1.254 284 A CA 0.075 52.087 52.037 -0.042 0.000 0.914 284 A CB -0.407 18.561 19.000 -0.054 0.000 0.998 284 A HN 0.553 nan 8.150 nan 0.000 0.515 285 R N -0.811 119.682 120.500 -0.013 0.000 2.807 285 R HA 0.826 5.166 4.340 0.000 0.000 0.276 285 R C -1.697 174.695 176.300 0.154 0.000 0.979 285 R CA -0.757 55.388 56.100 0.076 0.000 0.928 285 R CB 1.154 31.459 30.300 0.009 0.000 1.191 285 R HN 0.048 nan 8.270 nan 0.000 0.471 286 L N 1.796 123.154 121.223 0.225 0.000 2.376 286 L HA 0.460 4.800 4.340 0.000 0.000 0.275 286 L C -0.389 176.454 176.870 -0.045 0.000 0.987 286 L CA -0.910 53.992 54.840 0.104 0.000 0.828 286 L CB 2.221 44.305 42.059 0.042 0.000 1.249 286 L HN 0.670 nan 8.230 nan 0.000 0.409 287 K N 4.777 125.063 120.400 -0.189 0.000 2.278 287 K HA 0.319 4.639 4.320 0.000 0.000 0.289 287 K C 0.087 176.507 176.600 -0.301 0.000 1.080 287 K CA -0.448 55.512 56.287 -0.545 0.000 0.934 287 K CB 0.195 32.508 32.500 -0.312 0.000 1.093 287 K HN 0.503 nan 8.250 nan 0.000 0.459 288 I N 3.470 123.860 120.570 -0.301 0.000 3.163 288 I HA -0.298 3.872 4.170 0.000 0.000 0.332 288 I C 1.446 177.498 176.117 -0.109 0.000 1.205 288 I CA 1.662 62.872 61.300 -0.149 0.000 1.473 288 I CB -0.011 37.919 38.000 -0.117 0.000 1.300 288 I HN 1.094 nan 8.210 nan 0.000 0.532 289 G N 4.279 113.040 108.800 -0.066 0.000 2.184 289 G HA2 -0.281 3.679 3.960 0.000 0.000 0.264 289 G HA3 -0.281 3.679 3.960 0.000 0.000 0.264 289 G C 0.039 174.913 174.900 -0.042 0.000 0.975 289 G CA 0.117 45.189 45.100 -0.047 0.000 0.642 289 G HN 0.691 nan 8.290 nan 0.000 0.536 290 E N 0.306 120.474 120.200 -0.053 0.000 2.191 290 E HA 0.446 4.796 4.350 0.000 0.000 0.263 290 E C -0.212 176.372 176.600 -0.027 0.000 0.881 290 E CA -0.606 55.772 56.400 -0.037 0.000 0.757 290 E CB 1.391 31.066 29.700 -0.042 0.000 1.147 290 E HN 0.365 nan 8.360 nan 0.000 0.414 291 E N 2.508 122.699 120.200 -0.015 0.000 2.366 291 E HA 0.067 4.417 4.350 0.000 0.000 0.266 291 E C -0.700 175.898 176.600 -0.004 0.000 1.015 291 E CA 0.205 56.600 56.400 -0.008 0.000 0.906 291 E CB 0.614 30.312 29.700 -0.004 0.000 0.979 291 E HN 0.479 nan 8.360 nan 0.000 0.443 292 T N 1.602 116.155 114.554 -0.001 0.000 2.906 292 T HA 0.294 4.644 4.350 0.000 0.000 0.295 292 T C -0.632 174.071 174.700 0.005 0.000 1.061 292 T CA -0.971 61.131 62.100 0.004 0.000 1.000 292 T CB 1.775 70.646 68.868 0.006 0.000 1.103 292 T HN 0.425 nan 8.240 nan 0.000 0.486 293 Q N 1.506 121.310 119.800 0.007 0.000 2.261 293 Q HA 0.698 5.038 4.340 0.000 0.000 0.252 293 Q C -1.248 174.756 176.000 0.005 0.000 0.915 293 Q CA -0.379 55.429 55.803 0.007 0.000 0.915 293 Q CB 0.755 29.500 28.738 0.011 0.000 1.204 293 Q HN 0.693 nan 8.270 nan 0.000 0.421 294 L N 3.615 124.840 121.223 0.003 0.000 2.408 294 L HA 0.622 4.962 4.340 0.000 0.000 0.268 294 L C -0.609 176.260 176.870 -0.002 0.000 0.986 294 L CA -0.819 54.021 54.840 -0.001 0.000 0.820 294 L CB 2.132 44.190 42.059 -0.001 0.000 1.303 294 L HN 0.520 nan 8.230 nan 0.000 0.411 295 R N 2.536 123.033 120.500 -0.006 0.000 2.288 295 R HA 0.469 4.809 4.340 0.000 0.000 0.326 295 R C -1.142 175.148 176.300 -0.015 0.000 0.959 295 R CA -0.701 55.395 56.100 -0.007 0.000 0.834 295 R CB 1.968 32.264 30.300 -0.005 0.000 1.157 295 R HN 0.275 nan 8.270 nan 0.000 0.470 296 V N 3.250 123.157 119.914 -0.012 0.000 2.334 296 V HA 0.275 4.395 4.120 0.000 0.000 0.267 296 V C 0.514 176.599 176.094 -0.015 0.000 1.040 296 V CA -0.608 61.683 62.300 -0.015 0.000 0.866 296 V CB 0.985 32.802 31.823 -0.010 0.000 1.019 296 V HN 0.821 nan 8.190 nan 0.000 0.468 297 A N 4.239 127.046 122.820 -0.022 0.000 2.354 297 A HA 0.920 5.240 4.320 0.000 0.000 0.269 297 A C 0.677 178.252 177.584 -0.015 0.000 1.109 297 A CA 0.547 52.572 52.037 -0.019 0.000 0.800 297 A CB 0.768 19.750 19.000 -0.030 0.000 1.045 297 A HN 1.363 nan 8.150 nan 0.000 0.489 298 G N -0.038 108.757 108.800 -0.008 0.000 2.333 298 G HA2 0.544 4.504 3.960 0.000 0.000 0.288 298 G HA3 0.544 4.504 3.960 0.000 0.000 0.288 298 G C -0.550 174.349 174.900 -0.003 0.000 1.286 298 G CA 0.097 45.194 45.100 -0.005 0.000 0.865 298 G HN 1.571 nan 8.290 nan 0.000 0.506 299 T N -2.571 111.980 114.554 -0.004 0.000 2.856 299 T HA 0.593 4.943 4.350 0.000 0.000 0.283 299 T C 1.194 175.889 174.700 -0.008 0.000 1.008 299 T CA 0.628 62.724 62.100 -0.007 0.000 0.997 299 T CB 1.354 70.216 68.868 -0.010 0.000 0.992 299 T HN 2.583 nan 8.240 nan 0.000 0.454 300 G N 1.780 110.575 108.800 -0.009 0.000 2.422 300 G HA2 -0.227 3.733 3.960 0.000 0.000 0.301 300 G HA3 -0.227 3.733 3.960 0.000 0.000 0.301 300 G C 0.602 175.498 174.900 -0.006 0.000 0.981 300 G CA 0.734 45.829 45.100 -0.008 0.000 0.994 300 G HN 0.852 nan 8.290 nan 0.000 0.514 301 L N -0.362 120.858 121.223 -0.005 0.000 2.240 301 L HA 0.259 4.599 4.340 0.000 0.000 0.211 301 L C 2.410 179.278 176.870 -0.003 0.000 1.106 301 L CA 0.787 55.625 54.840 -0.004 0.000 0.793 301 L CB -0.714 41.342 42.059 -0.004 0.000 0.927 301 L HN 0.893 nan 8.230 nan 0.000 0.446 302 G N 0.644 109.442 108.800 -0.003 0.000 2.574 302 G HA2 -0.368 3.592 3.960 0.000 0.000 0.282 302 G HA3 -0.368 3.592 3.960 0.000 0.000 0.282 302 G C 0.445 175.344 174.900 -0.002 0.000 1.257 302 G CA 0.299 45.398 45.100 -0.002 0.000 0.956 302 G HN 0.456 nan 8.290 nan 0.000 0.560 303 S N -0.721 114.978 115.700 -0.001 0.000 2.855 303 S HA 0.374 4.844 4.470 0.000 0.000 0.249 303 S C -0.441 174.159 174.600 -0.000 0.000 1.033 303 S CA 0.457 58.657 58.200 -0.000 0.000 1.038 303 S CB 0.734 63.934 63.200 -0.000 0.000 0.960 303 S HN 0.530 nan 8.310 nan 0.000 0.548 304 D N 2.578 122.978 120.400 -0.000 0.000 2.402 304 D HA 0.242 4.882 4.640 0.000 0.000 0.235 304 D C -0.631 175.669 176.300 0.001 0.000 1.226 304 D CA 0.149 54.149 54.000 0.000 0.000 0.918 304 D CB 0.785 41.585 40.800 -0.000 0.000 1.043 304 D HN 0.384 nan 8.370 nan 0.000 0.506 305 L N 2.277 123.500 121.223 0.001 0.000 2.296 305 L HA 0.335 4.675 4.340 0.000 0.000 0.286 305 L C -0.030 176.841 176.870 0.002 0.000 1.023 305 L CA -0.330 54.511 54.840 0.001 0.000 0.812 305 L CB 1.671 43.731 42.059 0.001 0.000 1.223 305 L HN 0.215 nan 8.230 nan 0.000 0.421 306 T N 5.446 120.001 114.554 0.002 0.000 2.977 306 T HA 0.443 4.793 4.350 0.000 0.000 0.346 306 T C -0.363 174.339 174.700 0.004 0.000 1.140 306 T CA -0.545 61.557 62.100 0.003 0.000 1.040 306 T CB 0.018 68.888 68.868 0.003 0.000 1.046 306 T HN 0.396 nan 8.240 nan 0.000 0.494 307 L N 6.393 127.619 121.223 0.004 0.000 2.395 307 L HA 0.519 4.859 4.340 0.000 0.000 0.269 307 L C -1.316 175.558 176.870 0.005 0.000 1.133 307 L CA -1.930 52.913 54.840 0.005 0.000 0.812 307 L CB 0.690 42.751 42.059 0.004 0.000 1.125 307 L HN 0.524 nan 8.230 nan 0.000 0.452 308 P HA 0.127 nan 4.420 nan 0.000 0.279 308 P C 0.349 177.653 177.300 0.007 0.000 1.276 308 P CA -0.540 62.565 63.100 0.008 0.000 0.801 308 P CB 1.059 32.765 31.700 0.010 0.000 1.127 309 E N 0.657 120.861 120.200 0.007 0.000 2.072 309 E HA -0.206 4.144 4.350 0.000 0.000 0.218 309 E C 1.875 178.479 176.600 0.006 0.000 1.051 309 E CA 2.487 58.891 56.400 0.006 0.000 0.880 309 E CB -1.054 28.650 29.700 0.007 0.000 0.783 309 E HN 0.749 nan 8.360 nan 0.000 0.473 310 G N 0.490 109.294 108.800 0.007 0.000 2.708 310 G HA2 -0.013 3.947 3.960 0.000 0.000 0.210 310 G HA3 -0.013 3.947 3.960 0.000 0.000 0.210 310 G C 0.293 175.196 174.900 0.004 0.000 1.141 310 G CA 0.270 45.374 45.100 0.006 0.000 0.788 310 G HN 0.155 nan 8.290 nan 0.000 0.531 311 V N -0.098 119.819 119.914 0.005 0.000 2.588 311 V HA 0.821 4.941 4.120 0.000 0.000 0.304 311 V C -0.701 175.395 176.094 0.003 0.000 1.042 311 V CA -0.516 61.786 62.300 0.004 0.000 0.877 311 V CB 1.569 33.396 31.823 0.007 0.000 0.996 311 V HN 0.372 nan 8.190 nan 0.000 0.425 312 A N 4.411 127.231 122.820 0.001 0.000 2.380 312 A HA 1.087 5.407 4.320 0.000 0.000 0.315 312 A C 0.097 177.681 177.584 0.000 0.000 1.101 312 A CA 0.026 52.063 52.037 0.001 0.000 0.771 312 A CB 1.869 20.869 19.000 -0.000 0.000 1.287 312 A HN 2.236 nan 8.150 nan 0.000 0.436 313 G N -0.614 108.186 108.800 0.001 0.000 2.341 313 G HA2 0.607 4.567 3.960 0.000 0.000 0.293 313 G HA3 0.607 4.567 3.960 0.000 0.000 0.293 313 G C -0.507 174.394 174.900 0.002 0.000 1.298 313 G CA 0.386 45.487 45.100 0.001 0.000 0.868 313 G HN 2.089 nan 8.290 nan 0.000 0.540 314 S N -2.273 113.428 115.700 0.002 0.000 2.851 314 S HA 0.828 5.298 4.470 0.000 0.000 0.313 314 S C -1.048 173.553 174.600 0.002 0.000 1.163 314 S CA -0.562 57.639 58.200 0.002 0.000 0.850 314 S CB 1.636 64.837 63.200 0.002 0.000 1.245 314 S HN 1.426 nan 8.310 nan 0.000 0.558 315 V N 1.762 121.677 119.914 0.002 0.000 2.370 315 V HA 0.409 4.529 4.120 0.000 0.000 0.279 315 V C 0.626 176.721 176.094 0.002 0.000 1.029 315 V CA -0.288 62.013 62.300 0.002 0.000 0.870 315 V CB 0.936 32.760 31.823 0.001 0.000 0.984 315 V HN 1.015 nan 8.190 nan 0.000 0.451 316 E N 2.359 122.561 120.200 0.003 0.000 2.276 316 E HA 0.116 4.466 4.350 0.000 0.000 0.193 316 E C 0.436 177.039 176.600 0.004 0.000 0.983 316 E CA 0.616 57.019 56.400 0.004 0.000 0.861 316 E CB 0.739 30.442 29.700 0.005 0.000 0.817 316 E HN 0.810 nan 8.360 nan 0.000 0.485 317 S N -0.823 114.879 115.700 0.003 0.000 2.595 317 S HA 0.757 5.227 4.470 0.000 0.000 0.270 317 S C -1.143 173.458 174.600 0.002 0.000 1.145 317 S CA -0.719 57.483 58.200 0.003 0.000 0.825 317 S CB 2.058 65.261 63.200 0.004 0.000 1.107 317 S HN 0.103 nan 8.310 nan 0.000 0.461 318 A N -0.018 122.803 122.820 0.001 0.000 2.609 318 A HA 1.043 5.363 4.320 0.000 0.000 0.291 318 A C 0.191 177.775 177.584 -0.000 0.000 1.096 318 A CA -0.166 51.871 52.037 0.000 0.000 0.684 318 A CB 0.686 19.686 19.000 -0.000 0.000 1.282 318 A HN 2.891 nan 8.150 nan 0.000 0.412 319 G N 0.127 108.927 108.800 -0.001 0.000 2.570 319 G HA2 0.281 4.241 3.960 0.000 0.000 0.686 319 G HA3 0.281 4.241 3.960 0.000 0.000 0.686 319 G C -0.166 174.734 174.900 -0.001 0.000 1.257 319 G CA 0.227 45.326 45.100 -0.002 0.000 0.846 319 G HN 2.167 nan 8.290 nan 0.000 0.627 320 N N -0.815 117.884 118.700 -0.002 0.000 2.740 320 N HA -0.024 4.716 4.740 0.000 0.000 0.248 320 N C 1.584 177.095 175.510 0.001 0.000 1.062 320 N CA 1.983 55.032 53.050 -0.000 0.000 0.704 320 N CB -0.848 37.639 38.487 0.001 0.000 0.968 320 N HN 2.571 nan 8.380 nan 0.000 0.547 321 G N -2.333 106.467 108.800 -0.000 0.000 2.184 321 G HA2 -0.311 3.649 3.960 0.000 0.000 0.264 321 G HA3 -0.311 3.649 3.960 0.000 0.000 0.264 321 G C 0.029 174.928 174.900 -0.001 0.000 0.975 321 G CA 0.528 45.629 45.100 0.001 0.000 0.642 321 G HN 0.592 nan 8.290 nan 0.000 0.536 322 V N -0.062 119.851 119.914 -0.001 0.000 2.808 322 V HA 0.715 4.835 4.120 0.000 0.000 0.308 322 V C -0.238 175.855 176.094 -0.001 0.000 1.099 322 V CA -0.383 61.916 62.300 -0.002 0.000 0.920 322 V CB 2.185 34.007 31.823 -0.001 0.000 1.014 322 V HN 0.229 nan 8.190 nan 0.000 0.425 323 T N 3.409 117.961 114.554 -0.003 0.000 2.809 323 T HA 0.479 4.829 4.350 0.000 0.000 0.296 323 T C -0.329 174.370 174.700 -0.001 0.000 1.015 323 T CA -0.307 61.792 62.100 -0.001 0.000 0.954 323 T CB 1.381 70.248 68.868 -0.002 0.000 0.950 323 T HN 0.399 nan 8.240 nan 0.000 0.450 324 V N 5.980 125.894 119.914 0.001 0.000 2.461 324 V HA 0.403 4.523 4.120 0.000 0.000 0.275 324 V C 0.211 176.306 176.094 0.002 0.000 1.047 324 V CA -0.485 61.817 62.300 0.003 0.000 0.955 324 V CB 0.620 32.446 31.823 0.005 0.000 0.988 324 V HN 0.704 nan 8.190 nan 0.000 0.471 325 L N 4.350 125.574 121.223 0.002 0.000 2.331 325 L HA 0.679 5.019 4.340 0.000 0.000 0.268 325 L C 0.014 176.886 176.870 0.003 0.000 1.015 325 L CA -0.859 53.982 54.840 0.002 0.000 0.807 325 L CB 1.763 43.823 42.059 0.001 0.000 1.293 325 L HN 0.528 nan 8.230 nan 0.000 0.451 326 K N 1.995 122.397 120.400 0.003 0.000 2.756 326 K HA 0.472 4.792 4.320 0.000 0.000 0.218 326 K C -1.673 174.928 176.600 0.002 0.000 1.057 326 K CA -0.447 55.842 56.287 0.003 0.000 1.056 326 K CB 0.763 33.265 32.500 0.003 0.000 1.235 326 K HN 0.306 nan 8.250 nan 0.000 0.547 327 L N 0.764 121.988 121.223 0.002 0.000 2.341 327 L HA 0.659 4.999 4.340 0.000 0.000 0.267 327 L C 0.082 176.951 176.870 -0.001 0.000 1.022 327 L CA -0.666 54.175 54.840 0.001 0.000 0.844 327 L CB 1.766 43.826 42.059 0.003 0.000 1.436 327 L HN 0.528 nan 8.230 nan 0.000 0.483 328 T N -0.551 114.001 114.554 -0.003 0.000 3.933 328 T HA 0.714 5.064 4.350 0.000 0.000 0.357 328 T C -1.451 173.244 174.700 -0.009 0.000 1.077 328 T CA -0.352 61.742 62.100 -0.009 0.000 1.082 328 T CB 0.536 69.398 68.868 -0.010 0.000 1.158 328 T HN 0.872 nan 8.240 nan 0.000 0.472 329 A N 3.088 125.900 122.820 -0.014 0.000 2.310 329 A HA 0.728 5.048 4.320 0.000 0.000 0.299 329 A C 0.918 178.491 177.584 -0.019 0.000 1.147 329 A CA -0.477 51.553 52.037 -0.011 0.000 0.818 329 A CB 0.798 19.794 19.000 -0.006 0.000 1.096 329 A HN 0.932 nan 8.150 nan 0.000 0.495 330 T N 1.355 115.902 114.554 -0.012 0.000 3.209 330 T HA 0.290 4.640 4.350 0.000 0.000 0.295 330 T C 1.011 175.707 174.700 -0.007 0.000 0.977 330 T CA 0.358 62.450 62.100 -0.013 0.000 0.922 330 T CB 0.274 69.136 68.868 -0.010 0.000 1.152 330 T HN 0.921 nan 8.240 nan 0.000 0.527 331 G N 2.064 110.863 108.800 -0.002 0.000 2.735 331 G HA2 0.471 4.431 3.960 0.000 0.000 0.192 331 G HA3 0.471 4.431 3.960 0.000 0.000 0.192 331 G C 0.221 175.124 174.900 0.006 0.000 1.547 331 G CA 0.060 45.163 45.100 0.004 0.000 1.080 331 G HN 0.413 nan 8.290 nan 0.000 0.569 332 T N -1.163 113.399 114.554 0.014 0.000 2.945 332 T HA 0.605 4.955 4.350 0.000 0.000 0.286 332 T C -2.794 171.927 174.700 0.034 0.000 1.025 332 T CA -1.477 60.635 62.100 0.020 0.000 1.039 332 T CB 1.671 70.552 68.868 0.022 0.000 1.068 332 T HN 0.185 nan 8.240 nan 0.000 0.497 333 P HA 0.463 nan 4.420 nan 0.000 0.264 333 P C 0.300 177.648 177.300 0.080 0.000 1.183 333 P CA 0.868 64.017 63.100 0.081 0.000 0.763 333 P CB 0.122 31.881 31.700 0.098 0.000 0.807 334 G N 2.959 111.816 108.800 0.095 0.000 2.352 334 G HA2 0.206 4.166 3.960 0.000 0.000 0.302 334 G HA3 0.206 4.166 3.960 0.000 0.000 0.302 334 G C -3.458 171.486 174.900 0.073 0.000 1.370 334 G CA -0.955 44.192 45.100 0.079 0.000 0.918 334 G HN 0.181 nan 8.290 nan 0.000 0.610 335 P HA 0.411 nan 4.420 nan 0.000 0.271 335 P C 0.076 177.401 177.300 0.041 0.000 1.226 335 P CA -0.117 63.013 63.100 0.050 0.000 0.765 335 P CB 1.218 32.944 31.700 0.044 0.000 0.835 336 V N 0.902 120.839 119.914 0.038 0.000 2.823 336 V HA 0.821 4.941 4.120 0.000 0.000 0.312 336 V C -0.559 175.549 176.094 0.023 0.000 1.072 336 V CA -0.596 61.722 62.300 0.030 0.000 0.937 336 V CB 2.360 34.201 31.823 0.030 0.000 1.013 336 V HN 0.346 nan 8.190 nan 0.000 0.430 337 S N 4.096 119.807 115.700 0.018 0.000 2.570 337 S HA 0.961 5.431 4.470 0.000 0.000 0.286 337 S C -0.740 173.867 174.600 0.011 0.000 1.099 337 S CA -0.651 57.558 58.200 0.014 0.000 0.913 337 S CB 1.635 64.843 63.200 0.014 0.000 1.085 337 S HN 1.376 nan 8.310 nan 0.000 0.480 338 L N -0.755 120.473 121.223 0.009 0.000 2.389 338 L HA 0.817 5.157 4.340 0.000 0.000 0.249 338 L C -0.973 175.901 176.870 0.005 0.000 1.083 338 L CA -0.784 54.060 54.840 0.007 0.000 0.876 338 L CB 0.902 42.965 42.059 0.006 0.000 1.489 338 L HN 0.520 nan 8.230 nan 0.000 0.412 339 E N 0.708 120.911 120.200 0.004 0.000 2.256 339 E HA 0.716 5.066 4.350 0.000 0.000 0.267 339 E C -1.627 174.974 176.600 0.002 0.000 0.892 339 E CA -0.751 55.651 56.400 0.003 0.000 0.775 339 E CB 3.089 32.790 29.700 0.003 0.000 1.207 339 E HN 0.605 nan 8.360 nan 0.000 0.420 340 L N 1.033 122.257 121.223 0.001 0.000 2.516 340 L HA 0.385 4.725 4.340 0.000 0.000 0.267 340 L C 0.270 177.139 176.870 -0.001 0.000 0.957 340 L CA -0.050 54.790 54.840 -0.000 0.000 0.860 340 L CB 1.481 43.540 42.059 -0.001 0.000 1.265 340 L HN 0.890 nan 8.230 nan 0.000 0.403 341 G N 2.887 111.687 108.800 -0.001 0.000 2.283 341 G HA2 -0.211 3.749 3.960 0.000 0.000 0.280 341 G HA3 -0.211 3.749 3.960 0.000 0.000 0.280 341 G C 0.975 175.874 174.900 -0.001 0.000 1.029 341 G CA 0.681 45.780 45.100 -0.001 0.000 0.840 341 G HN 1.755 nan 8.290 nan 0.000 0.505 342 G N -2.310 106.490 108.800 -0.000 0.000 2.189 342 G HA2 -0.258 3.702 3.960 0.000 0.000 0.267 342 G HA3 -0.258 3.702 3.960 0.000 0.000 0.267 342 G C 0.316 175.217 174.900 0.001 0.000 0.975 342 G CA 1.129 46.229 45.100 0.000 0.000 0.644 342 G HN 1.126 nan 8.290 nan 0.000 0.537 343 Q N 0.134 119.934 119.800 0.000 0.000 2.241 343 Q HA 0.470 4.810 4.340 0.000 0.000 0.254 343 Q C 0.235 176.235 176.000 0.001 0.000 0.917 343 Q CA -0.529 55.274 55.803 0.000 0.000 0.919 343 Q CB 1.771 30.508 28.738 -0.001 0.000 1.237 343 Q HN 0.491 nan 8.270 nan 0.000 0.434 344 K N 1.144 121.545 120.400 0.002 0.000 2.298 344 K HA 0.360 4.680 4.320 0.000 0.000 0.280 344 K C -0.975 175.626 176.600 0.002 0.000 1.032 344 K CA -0.269 56.020 56.287 0.003 0.000 0.958 344 K CB 0.669 33.172 32.500 0.005 0.000 0.978 344 K HN 0.310 nan 8.250 nan 0.000 0.472 345 V N 4.481 124.397 119.914 0.002 0.000 2.483 345 V HA 0.207 4.327 4.120 0.000 0.000 0.297 345 V C -0.977 175.120 176.094 0.004 0.000 1.027 345 V CA -0.975 61.326 62.300 0.001 0.000 0.855 345 V CB 1.765 33.588 31.823 -0.001 0.000 0.995 345 V HN 0.843 nan 8.190 nan 0.000 0.424 346 D N 5.039 125.441 120.400 0.004 0.000 2.193 346 D HA 0.623 5.263 4.640 0.000 0.000 0.244 346 D C -0.582 175.723 176.300 0.007 0.000 1.064 346 D CA -0.249 53.756 54.000 0.008 0.000 0.845 346 D CB 2.496 43.302 40.800 0.010 0.000 1.148 346 D HN 0.137 nan 8.370 nan 0.000 0.464 347 L N 0.824 122.056 121.223 0.016 0.000 2.194 347 L HA 0.614 4.954 4.340 0.000 0.000 0.248 347 L C -0.319 176.573 176.870 0.037 0.000 1.071 347 L CA -1.085 53.767 54.840 0.021 0.000 0.901 347 L CB 1.512 43.587 42.059 0.026 0.000 1.497 347 L HN 0.093 nan 8.230 nan 0.000 0.442 348 V N -0.037 119.912 119.914 0.059 0.000 2.711 348 V HA 0.699 4.819 4.120 0.000 0.000 0.304 348 V C -0.176 176.018 176.094 0.166 0.000 1.097 348 V CA -0.799 61.555 62.300 0.090 0.000 0.906 348 V CB 1.724 33.587 31.823 0.067 0.000 1.015 348 V HN 0.888 nan 8.190 nan 0.000 0.427 349 A N 4.888 127.802 122.820 0.155 0.000 2.293 349 A HA 1.012 5.332 4.320 0.000 0.000 0.302 349 A C -0.866 176.878 177.584 0.265 0.000 1.119 349 A CA -0.267 51.867 52.037 0.163 0.000 0.823 349 A CB 0.915 19.958 19.000 0.071 0.000 1.097 349 A HN 1.696 nan 8.150 nan 0.000 0.491 350 Y N -1.835 118.494 120.300 0.048 0.000 2.774 350 Y HA 0.528 5.078 4.550 0.000 0.000 0.346 350 Y C -0.835 175.100 175.900 0.059 0.000 1.222 350 Y CA -0.816 57.319 58.100 0.059 0.000 1.088 350 Y CB 0.724 39.237 38.460 0.087 0.000 1.354 350 Y HN 0.437 nan 8.280 nan 0.000 0.455 351 D N 0.203 120.520 120.400 -0.138 0.000 2.461 351 D HA 0.135 4.775 4.640 0.000 0.000 0.266 351 D C -0.522 175.801 176.300 0.038 0.000 1.085 351 D CA 0.720 54.602 54.000 -0.196 0.000 0.887 351 D CB 0.749 41.511 40.800 -0.063 0.000 1.309 351 D HN 0.626 nan 8.370 nan 0.000 0.498 352 R N -0.034 120.637 120.500 0.285 0.000 2.561 352 R HA 0.537 4.877 4.340 0.000 0.000 0.266 352 R C -3.207 173.225 176.300 0.221 0.000 1.091 352 R CA -1.383 54.878 56.100 0.268 0.000 0.927 352 R CB 0.785 31.148 30.300 0.106 0.000 1.240 352 R HN -0.298 nan 8.270 nan 0.000 0.449 353 P HA 0.191 nan 4.420 nan 0.000 0.274 353 P C -0.413 176.880 177.300 -0.013 0.000 1.231 353 P CA -0.379 62.681 63.100 -0.066 0.000 0.790 353 P CB 0.699 32.191 31.700 -0.347 0.000 0.951 354 D N 1.037 121.455 120.400 0.031 0.000 2.333 354 D HA 0.027 4.667 4.640 0.000 0.000 0.208 354 D C 0.778 177.092 176.300 0.022 0.000 0.984 354 D CA 0.933 54.953 54.000 0.033 0.000 0.873 354 D CB 0.372 41.203 40.800 0.052 0.000 0.935 354 D HN 0.479 nan 8.370 nan 0.000 0.521 355 R N -0.156 120.369 120.500 0.041 0.000 2.828 355 R HA 0.391 4.731 4.340 0.000 0.000 0.280 355 R C -1.620 174.761 176.300 0.136 0.000 1.020 355 R CA -0.829 55.301 56.100 0.049 0.000 0.855 355 R CB 0.318 30.640 30.300 0.036 0.000 1.278 355 R HN -0.038 nan 8.270 nan 0.000 0.495 356 I N -0.745 119.887 120.570 0.103 0.000 2.608 356 I HA 0.740 4.910 4.170 0.000 0.000 0.295 356 I C -0.674 175.573 176.117 0.217 0.000 1.049 356 I CA -0.862 60.532 61.300 0.158 0.000 1.063 356 I CB 2.560 40.540 38.000 -0.033 0.000 1.248 356 I HN 0.817 nan 8.210 nan 0.000 0.424 357 S N 5.760 121.689 115.700 0.382 0.000 2.542 357 S HA 0.690 5.160 4.470 0.000 0.000 0.293 357 S C -0.582 174.207 174.600 0.314 0.000 1.089 357 S CA -0.853 57.537 58.200 0.316 0.000 0.961 357 S CB 1.885 65.307 63.200 0.371 0.000 1.062 357 S HN 0.540 nan 8.310 nan 0.000 0.483 358 I N 2.684 123.413 120.570 0.264 0.000 2.365 358 I HA 0.399 4.569 4.170 0.000 0.000 0.291 358 I C -0.478 175.858 176.117 0.364 0.000 1.004 358 I CA -0.801 60.701 61.300 0.336 0.000 1.311 358 I CB 0.865 39.042 38.000 0.295 0.000 1.401 358 I HN 0.502 nan 8.210 nan 0.000 0.491 359 V N 8.575 128.722 119.914 0.388 0.000 2.407 359 V HA 0.359 4.479 4.120 0.000 0.000 0.291 359 V C -2.276 173.966 176.094 0.246 0.000 1.018 359 V CA -1.564 60.923 62.300 0.312 0.000 0.842 359 V CB 1.976 33.964 31.823 0.275 0.000 0.996 359 V HN 0.608 nan 8.190 nan 0.000 0.426 360 P HA 0.291 nan 4.420 nan 0.000 0.277 360 P C -0.131 177.367 177.300 0.331 0.000 1.240 360 P CA -0.346 62.851 63.100 0.162 0.000 0.798 360 P CB 0.818 32.485 31.700 -0.054 0.000 0.979 361 D N 1.129 121.702 120.400 0.288 0.000 2.350 361 D HA 0.051 4.691 4.640 0.000 0.000 0.213 361 D C 0.056 176.494 176.300 0.230 0.000 1.031 361 D CA 0.534 54.696 54.000 0.269 0.000 0.861 361 D CB 0.005 40.942 40.800 0.229 0.000 0.926 361 D HN 0.211 nan 8.370 nan 0.000 0.520 362 L N -0.314 121.021 121.223 0.186 0.000 2.516 362 L HA 0.507 4.847 4.340 0.000 0.000 0.267 362 L C -1.368 175.519 176.870 0.027 0.000 0.957 362 L CA -0.062 54.834 54.840 0.094 0.000 0.860 362 L CB 2.031 44.149 42.059 0.097 0.000 1.265 362 L HN 0.024 nan 8.230 nan 0.000 0.403 363 T N 4.112 118.670 114.554 0.007 0.000 2.653 363 T HA 0.610 4.960 4.350 0.000 0.000 0.306 363 T C -1.639 173.053 174.700 -0.013 0.000 1.426 363 T CA -0.241 61.831 62.100 -0.046 0.000 1.008 363 T CB 1.397 70.184 68.868 -0.136 0.000 1.692 363 T HN 0.625 nan 8.240 nan 0.000 0.483 364 I N -0.639 119.902 120.570 -0.048 0.000 3.174 364 I HA 0.997 5.167 4.170 0.000 0.000 0.313 364 I C -1.014 175.086 176.117 -0.029 0.000 1.155 364 I CA -1.438 59.855 61.300 -0.010 0.000 0.977 364 I CB 1.902 39.895 38.000 -0.011 0.000 1.248 364 I HN 0.857 nan 8.210 nan 0.000 0.453 365 A N 2.457 125.290 122.820 0.022 0.000 2.556 365 A HA 0.883 5.203 4.320 0.000 0.000 0.294 365 A C -1.107 176.524 177.584 0.079 0.000 1.091 365 A CA -0.858 51.232 52.037 0.087 0.000 0.704 365 A CB 1.977 21.132 19.000 0.258 0.000 1.300 365 A HN 0.791 nan 8.150 nan 0.000 0.406 366 R N 0.954 121.491 120.500 0.062 0.000 2.628 366 R HA 0.519 4.859 4.340 0.000 0.000 0.288 366 R C -0.276 176.043 176.300 0.031 0.000 0.980 366 R CA -0.706 55.411 56.100 0.028 0.000 0.891 366 R CB 1.869 32.151 30.300 -0.030 0.000 1.188 366 R HN 0.837 nan 8.270 nan 0.000 0.450 367 I N -0.630 119.960 120.570 0.033 0.000 2.892 367 I HA 0.541 4.711 4.170 0.000 0.000 0.287 367 I C 0.410 176.519 176.117 -0.013 0.000 1.205 367 I CA 0.147 61.464 61.300 0.028 0.000 1.409 367 I CB 0.487 38.511 38.000 0.039 0.000 1.367 367 I HN 0.716 nan 8.210 nan 0.000 0.597 368 G N 1.855 110.648 108.800 -0.011 0.000 2.570 368 G HA2 0.575 4.535 3.960 0.000 0.000 0.310 368 G HA3 0.575 4.535 3.960 0.000 0.000 0.310 368 G C -0.164 174.727 174.900 -0.015 0.000 1.266 368 G CA -0.184 44.898 45.100 -0.030 0.000 0.825 368 G HN 1.331 nan 8.290 nan 0.000 0.483 369 G N 0.198 108.987 108.800 -0.019 0.000 2.614 369 G HA2 -0.220 3.740 3.960 0.000 0.000 0.303 369 G HA3 -0.220 3.740 3.960 0.000 0.000 0.303 369 G C 0.678 175.579 174.900 0.002 0.000 1.270 369 G CA 1.327 46.422 45.100 -0.008 0.000 0.988 369 G HN 2.201 nan 8.290 nan 0.000 0.551 370 N N -0.251 118.452 118.700 0.005 0.000 2.754 370 N HA -0.095 4.645 4.740 0.000 0.000 0.248 370 N C 1.274 176.793 175.510 0.014 0.000 1.093 370 N CA 1.693 54.750 53.050 0.012 0.000 0.699 370 N CB -1.267 37.230 38.487 0.018 0.000 1.016 370 N HN 2.661 nan 8.380 nan 0.000 0.552 371 G N -2.145 106.662 108.800 0.011 0.000 2.176 371 G HA2 -0.209 3.751 3.960 0.000 0.000 0.253 371 G HA3 -0.209 3.751 3.960 0.000 0.000 0.253 371 G C 0.378 175.289 174.900 0.017 0.000 0.979 371 G CA 0.484 45.593 45.100 0.013 0.000 0.641 371 G HN 0.788 nan 8.290 nan 0.000 0.530 372 G N -0.056 108.755 108.800 0.018 0.000 2.502 372 G HA2 0.672 4.632 3.960 0.000 0.000 0.305 372 G HA3 0.672 4.632 3.960 0.000 0.000 0.305 372 G C -0.456 174.453 174.900 0.014 0.000 1.190 372 G CA -0.234 44.881 45.100 0.025 0.000 0.933 372 G HN 0.200 nan 8.290 nan 0.000 0.503 373 P HA 0.213 nan 4.420 nan 0.000 0.255 373 P C -0.069 177.222 177.300 -0.014 0.000 1.248 373 P CA 0.247 63.353 63.100 0.010 0.000 0.807 373 P CB 0.393 32.109 31.700 0.027 0.000 1.150 374 I N 3.428 123.976 120.570 -0.037 0.000 2.382 374 I HA 0.308 4.478 4.170 0.000 0.000 0.285 374 I C -2.277 173.799 176.117 -0.068 0.000 1.007 374 I CA -2.741 58.510 61.300 -0.081 0.000 1.142 374 I CB 2.195 40.087 38.000 -0.179 0.000 1.289 374 I HN -0.185 nan 8.210 nan 0.000 0.453 375 P HA 0.187 nan 4.420 nan 0.000 0.274 375 P C -0.789 176.482 177.300 -0.048 0.000 1.237 375 P CA -0.559 62.516 63.100 -0.041 0.000 0.793 375 P CB 0.872 32.554 31.700 -0.030 0.000 0.977 376 K N 0.366 120.745 120.400 -0.035 0.000 2.440 376 K HA 0.214 4.534 4.320 0.000 0.000 0.270 376 K C -0.243 176.339 176.600 -0.029 0.000 0.980 376 K CA -0.182 56.088 56.287 -0.028 0.000 0.953 376 K CB 0.132 32.620 32.500 -0.021 0.000 0.925 376 K HN 0.201 nan 8.250 nan 0.000 0.497 377 V N 4.923 124.826 119.914 -0.018 0.000 2.350 377 V HA 0.220 4.340 4.120 0.000 0.000 0.285 377 V C -1.818 174.283 176.094 0.012 0.000 1.014 377 V CA -1.754 60.531 62.300 -0.024 0.000 0.831 377 V CB 1.168 32.965 31.823 -0.042 0.000 1.000 377 V HN 0.775 nan 8.190 nan 0.000 0.433 378 P HA 0.557 nan 4.420 nan 0.000 0.282 378 P C -0.998 176.306 177.300 0.007 0.000 1.287 378 P CA -0.572 62.550 63.100 0.037 0.000 0.792 378 P CB 1.713 33.405 31.700 -0.012 0.000 1.163 379 A N 0.222 123.059 122.820 0.029 0.000 2.381 379 A HA 0.476 4.796 4.320 0.000 0.000 0.299 379 A C -0.808 176.586 177.584 -0.317 0.000 1.049 379 A CA -0.424 51.492 52.037 -0.201 0.000 0.715 379 A CB 1.314 20.179 19.000 -0.225 0.000 1.222 379 A HN 0.447 nan 8.150 nan 0.000 0.428 380 Q N 1.610 121.141 119.800 -0.447 0.000 2.290 380 Q HA 0.735 5.075 4.340 0.000 0.000 0.259 380 Q C -1.769 173.889 176.000 -0.569 0.000 0.941 380 Q CA -0.005 55.572 55.803 -0.376 0.000 0.912 380 Q CB 0.482 29.082 28.738 -0.230 0.000 1.244 380 Q HN 0.522 nan 8.270 nan 0.000 0.441 381 F N 1.242 121.036 119.950 -0.261 0.000 2.575 381 F HA 0.628 5.155 4.527 -0.000 0.000 0.330 381 F C 0.051 175.694 175.800 -0.261 0.000 1.056 381 F CA -0.764 57.094 58.000 -0.237 0.000 0.964 381 F CB 2.194 41.012 39.000 -0.304 0.000 1.258 381 F HN 0.503 nan 8.300 nan 0.000 0.484 382 E N 0.278 120.665 120.200 0.312 0.000 2.352 382 E HA 0.653 5.003 4.350 0.000 0.000 0.280 382 E C -1.644 175.316 176.600 0.599 0.000 0.930 382 E CA -0.917 55.733 56.400 0.416 0.000 0.765 382 E CB 2.127 31.961 29.700 0.224 0.000 1.219 382 E HN 0.684 nan 8.360 nan 0.000 0.434 383 A N 4.684 127.874 122.820 0.617 0.000 2.269 383 A HA 0.525 4.845 4.320 0.000 0.000 0.302 383 A C -0.482 177.257 177.584 0.258 0.000 1.266 383 A CA -0.452 51.791 52.037 0.343 0.000 0.894 383 A CB 0.217 19.285 19.000 0.113 0.000 1.147 383 A HN 0.434 nan 8.150 nan 0.000 0.537 384 M N 2.523 122.247 119.600 0.207 0.000 2.300 384 M HA 0.436 4.916 4.480 0.000 0.000 0.348 384 M C 0.603 176.831 176.300 -0.119 0.000 1.151 384 M CA -0.554 54.771 55.300 0.042 0.000 1.046 384 M CB 1.000 33.590 32.600 -0.017 0.000 1.647 384 M HN 0.706 nan 8.290 nan 0.000 0.451 385 G N 1.651 110.316 108.800 -0.224 0.000 2.412 385 G HA2 0.686 4.646 3.960 0.000 0.000 0.318 385 G HA3 0.686 4.646 3.960 0.000 0.000 0.318 385 G C -1.837 172.718 174.900 -0.575 0.000 1.146 385 G CA -0.362 44.513 45.100 -0.375 0.000 0.882 385 G HN 0.722 nan 8.290 nan 0.000 0.501 386 W N -0.572 120.678 121.300 -0.083 0.000 3.047 386 W HA 0.661 5.321 4.660 -0.000 0.000 0.341 386 W C -0.840 175.653 176.519 -0.042 0.000 1.225 386 W CA -0.833 56.490 57.345 -0.036 0.000 1.150 386 W CB 1.693 31.142 29.460 -0.020 0.000 1.470 386 W HN 0.269 nan 8.180 nan 0.000 0.578 387 L N 2.107 123.493 121.223 0.272 0.000 2.385 387 L HA 0.339 4.679 4.340 0.000 0.000 0.273 387 L C 0.695 177.649 176.870 0.141 0.000 0.990 387 L CA -0.908 54.027 54.840 0.159 0.000 0.821 387 L CB 1.714 43.851 42.059 0.130 0.000 1.279 387 L HN 0.476 nan 8.230 nan 0.000 0.412 388 N N 2.222 120.974 118.700 0.087 0.000 2.586 388 N HA -0.078 4.662 4.740 0.000 0.000 0.191 388 N C 0.956 176.493 175.510 0.045 0.000 1.085 388 N CA 0.928 54.007 53.050 0.047 0.000 0.921 388 N CB -0.035 38.468 38.487 0.027 0.000 0.954 388 N HN 0.906 nan 8.380 nan 0.000 0.448 389 G N 0.792 109.631 108.800 0.066 0.000 2.645 389 G HA2 -0.239 3.721 3.960 0.000 0.000 0.239 389 G HA3 -0.239 3.721 3.960 0.000 0.000 0.239 389 G C -1.631 173.293 174.900 0.040 0.000 1.331 389 G CA 0.053 45.187 45.100 0.057 0.000 0.890 389 G HN 0.184 nan 8.290 nan 0.000 0.572 390 P HA 0.050 nan 4.420 nan 0.000 0.220 390 P C 1.131 178.440 177.300 0.015 0.000 1.152 390 P CA 1.912 65.026 63.100 0.024 0.000 0.812 390 P CB -0.120 31.593 31.700 0.023 0.000 0.792 391 D N -1.049 119.357 120.400 0.010 0.000 2.363 391 D HA 0.001 4.641 4.640 0.000 0.000 0.220 391 D C 1.447 177.748 176.300 0.000 0.000 0.994 391 D CA 1.121 55.123 54.000 0.003 0.000 0.890 391 D CB -0.106 40.691 40.800 -0.004 0.000 0.906 391 D HN 0.290 nan 8.370 nan 0.000 0.530 392 G N 1.178 109.980 108.800 0.004 0.000 3.642 392 G HA2 -0.418 3.542 3.960 0.000 0.000 0.205 392 G HA3 -0.418 3.542 3.960 0.000 0.000 0.205 392 G C 0.707 175.605 174.900 -0.003 0.000 1.526 392 G CA 1.132 46.233 45.100 0.001 0.000 1.097 392 G HN 0.470 nan 8.290 nan 0.000 0.596 393 Q N -0.528 119.265 119.800 -0.012 0.000 2.117 393 Q HA -0.271 4.069 4.340 0.000 0.000 0.177 393 Q C -1.125 174.852 176.000 -0.039 0.000 2.920 393 Q CA 3.784 59.572 55.803 -0.025 0.000 0.193 393 Q CB -2.072 26.654 28.738 -0.021 0.000 0.212 393 Q HN 0.792 nan 8.270 nan 0.000 0.373 394 P HA -0.213 nan 4.420 nan 0.000 0.112 394 P C 0.046 177.295 177.300 -0.085 0.000 1.033 394 P CA 2.352 65.424 63.100 -0.048 0.000 0.620 394 P CB -1.168 30.510 31.700 -0.038 0.000 1.005 395 G N -2.485 106.249 108.800 -0.109 0.000 2.519 395 G HA2 0.193 4.153 3.960 0.000 0.000 0.229 395 G HA3 0.193 4.153 3.960 0.000 0.000 0.229 395 G C -0.226 174.583 174.900 -0.152 0.000 1.333 395 G CA -0.091 44.910 45.100 -0.164 0.000 0.939 395 G HN 0.612 nan 8.290 nan 0.000 0.501 396 T N -2.341 112.134 114.554 -0.130 0.000 2.930 396 T HA 0.640 4.990 4.350 0.000 0.000 0.290 396 T C 1.729 176.360 174.700 -0.114 0.000 1.052 396 T CA 0.532 62.567 62.100 -0.108 0.000 1.017 396 T CB 1.636 70.462 68.868 -0.070 0.000 1.137 396 T HN 1.210 nan 8.240 nan 0.000 0.511 397 G N 0.631 109.373 108.800 -0.097 0.000 2.621 397 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 397 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 397 G C 1.011 175.883 174.900 -0.047 0.000 1.127 397 G CA 0.980 46.031 45.100 -0.082 0.000 0.747 397 G HN 0.925 nan 8.290 nan 0.000 0.561 398 D N 1.028 121.405 120.400 -0.039 0.000 2.087 398 D HA -0.069 4.571 4.640 0.000 0.000 0.201 398 D C 0.568 176.880 176.300 0.020 0.000 0.980 398 D CA 0.594 54.589 54.000 -0.008 0.000 0.849 398 D CB -0.289 40.506 40.800 -0.008 0.000 1.001 398 D HN 0.293 nan 8.370 nan 0.000 0.452 399 D N -0.156 120.254 120.400 0.017 0.000 2.088 399 D HA -0.174 4.466 4.640 0.000 0.000 0.084 399 D C -0.166 176.234 176.300 0.166 0.000 0.930 399 D CA 1.161 55.210 54.000 0.081 0.000 0.372 399 D CB 0.234 41.060 40.800 0.045 0.000 0.803 399 D HN 0.272 nan 8.370 nan 0.000 0.299 400 I N 0.438 121.148 120.570 0.232 0.000 2.436 400 I HA 0.486 4.656 4.170 0.000 0.000 0.289 400 I C 0.050 176.333 176.117 0.277 0.000 1.010 400 I CA -1.025 60.401 61.300 0.209 0.000 1.098 400 I CB 1.787 39.865 38.000 0.130 0.000 1.266 400 I HN 0.408 nan 8.210 nan 0.000 0.434 401 A N 5.595 128.507 122.820 0.154 0.000 2.354 401 A HA 0.572 4.892 4.320 0.000 0.000 0.269 401 A C 0.265 177.717 177.584 -0.220 0.000 1.109 401 A CA -0.148 51.765 52.037 -0.206 0.000 0.800 401 A CB 0.605 19.424 19.000 -0.303 0.000 1.045 401 A HN 0.730 nan 8.150 nan 0.000 0.489 402 L N 1.480 122.494 121.223 -0.348 0.000 2.672 402 L HA 0.426 4.766 4.340 0.000 0.000 0.236 402 L C 1.246 177.973 176.870 -0.238 0.000 1.092 402 L CA 1.396 56.106 54.840 -0.216 0.000 0.887 402 L CB -0.642 41.344 42.059 -0.123 0.000 1.168 402 L HN 1.370 nan 8.230 nan 0.000 0.502 403 G N -0.479 108.149 108.800 -0.286 0.000 2.655 403 G HA2 0.135 4.095 3.960 0.000 0.000 0.680 403 G HA3 0.135 4.095 3.960 0.000 0.000 0.680 403 G C -0.344 174.476 174.900 -0.134 0.000 1.302 403 G CA -0.661 44.298 45.100 -0.236 0.000 0.872 403 G HN 0.421 nan 8.290 nan 0.000 0.540 404 A N -0.324 122.438 122.820 -0.096 0.000 2.450 404 A HA 0.707 5.027 4.320 0.000 0.000 0.255 404 A C -0.359 177.217 177.584 -0.012 0.000 1.096 404 A CA 0.339 52.403 52.037 0.045 0.000 0.778 404 A CB -0.026 19.013 19.000 0.066 0.000 1.031 404 A HN 1.234 nan 8.150 nan 0.000 0.494 405 F N 1.947 121.905 119.950 0.013 0.000 2.492 405 F HA 0.526 5.053 4.527 -0.000 0.000 0.327 405 F C -1.995 173.855 175.800 0.083 0.000 1.079 405 F CA -2.166 55.848 58.000 0.024 0.000 0.967 405 F CB 1.574 40.564 39.000 -0.016 0.000 1.169 405 F HN 0.350 nan 8.300 nan 0.000 0.472 406 P HA 0.474 nan 4.420 nan 0.000 0.271 406 P C -1.193 176.214 177.300 0.178 0.000 1.216 406 P CA -0.081 63.152 63.100 0.222 0.000 0.776 406 P CB 0.977 32.775 31.700 0.163 0.000 0.881 407 A N 1.520 124.436 122.820 0.159 0.000 2.583 407 A HA 0.706 5.026 4.320 0.000 0.000 0.289 407 A C -0.948 176.537 177.584 -0.165 0.000 1.151 407 A CA -0.485 51.486 52.037 -0.111 0.000 0.695 407 A CB 0.970 19.708 19.000 -0.437 0.000 1.290 407 A HN 0.325 nan 8.150 nan 0.000 0.419 408 S N -0.109 115.404 115.700 -0.312 0.000 2.442 408 S HA 0.566 5.036 4.470 0.000 0.000 0.297 408 S C -1.409 172.974 174.600 -0.361 0.000 1.131 408 S CA -0.045 58.058 58.200 -0.163 0.000 1.092 408 S CB 0.153 63.300 63.200 -0.088 0.000 0.998 408 S HN 0.447 nan 8.310 nan 0.000 0.478 409 W N 1.663 122.985 121.300 0.035 0.000 2.606 409 W HA 0.746 5.406 4.660 -0.000 0.000 0.332 409 W C -0.006 176.527 176.519 0.024 0.000 1.052 409 W CA -0.539 56.824 57.345 0.029 0.000 1.223 409 W CB 1.288 30.782 29.460 0.056 0.000 1.383 409 W HN 0.723 nan 8.180 nan 0.000 0.524 410 A N 1.229 124.184 122.820 0.225 0.000 2.606 410 A HA 0.855 5.175 4.320 0.000 0.000 0.293 410 A C -0.625 177.033 177.584 0.123 0.000 1.082 410 A CA -0.759 51.363 52.037 0.142 0.000 0.685 410 A CB 1.233 20.269 19.000 0.061 0.000 1.284 410 A HN 0.546 nan 8.150 nan 0.000 0.408 411 T N -1.319 113.306 114.554 0.118 0.000 2.932 411 T HA 0.800 5.150 4.350 0.000 0.000 0.289 411 T C -0.924 173.817 174.700 0.068 0.000 1.039 411 T CA -0.448 61.712 62.100 0.099 0.000 1.024 411 T CB 1.949 70.933 68.868 0.192 0.000 1.090 411 T HN 0.773 nan 8.240 nan 0.000 0.496 412 D N -0.398 120.031 120.400 0.049 0.000 2.639 412 D HA 0.290 4.930 4.640 0.000 0.000 0.271 412 D C -1.108 175.222 176.300 0.051 0.000 1.254 412 D CA -0.596 53.427 54.000 0.038 0.000 0.810 412 D CB 1.537 42.340 40.800 0.006 0.000 1.351 412 D HN 0.500 nan 8.370 nan 0.000 0.427 413 N N 1.193 119.922 118.700 0.048 0.000 2.513 413 N HA 0.071 4.811 4.740 0.000 0.000 0.268 413 N C 0.543 176.091 175.510 0.063 0.000 1.180 413 N CA -0.037 53.057 53.050 0.074 0.000 0.948 413 N CB 0.477 39.000 38.487 0.061 0.000 1.083 413 N HN 0.377 nan 8.380 nan 0.000 0.455 414 F N 1.576 121.493 119.950 -0.055 0.000 2.186 414 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 414 F C 0.538 176.281 175.800 -0.095 0.000 1.090 414 F CA 1.068 58.993 58.000 -0.126 0.000 1.307 414 F CB 0.266 39.164 39.000 -0.169 0.000 1.019 414 F HN 0.580 nan 8.300 nan 0.000 0.489 415 D N -2.776 117.608 120.400 -0.027 0.000 2.752 415 D HA 0.134 4.774 4.640 0.000 0.000 0.313 415 D C 0.697 176.989 176.300 -0.012 0.000 1.225 415 D CA -0.525 53.419 54.000 -0.094 0.000 0.976 415 D CB 0.034 40.816 40.800 -0.030 0.000 1.443 415 D HN -0.034 nan 8.370 nan 0.000 0.515 416 E N -0.471 119.717 120.200 -0.020 0.000 2.049 416 E HA -0.238 4.112 4.350 0.000 0.000 0.198 416 E C 1.231 177.850 176.600 0.030 0.000 1.007 416 E CA 1.704 58.104 56.400 0.001 0.000 0.809 416 E CB -0.014 29.684 29.700 -0.003 0.000 0.749 416 E HN 0.458 nan 8.360 nan 0.000 0.450 417 E N 0.542 120.769 120.200 0.046 0.000 2.097 417 E HA -0.206 4.144 4.350 0.000 0.000 0.196 417 E C 1.814 178.460 176.600 0.076 0.000 1.000 417 E CA 1.323 57.760 56.400 0.061 0.000 0.804 417 E CB -0.332 29.413 29.700 0.074 0.000 0.740 417 E HN 0.312 nan 8.360 nan 0.000 0.454 418 A N 0.925 123.803 122.820 0.096 0.000 1.930 418 A HA -0.222 4.098 4.320 0.000 0.000 0.217 418 A C 2.001 179.641 177.584 0.094 0.000 1.175 418 A CA 1.534 53.638 52.037 0.112 0.000 0.627 418 A CB -0.399 18.690 19.000 0.149 0.000 0.815 418 A HN 0.216 nan 8.150 nan 0.000 0.443 419 E N 0.055 120.296 120.200 0.069 0.000 2.051 419 E HA -0.204 4.146 4.350 0.000 0.000 0.192 419 E C 2.020 178.658 176.600 0.064 0.000 0.991 419 E CA 1.434 57.869 56.400 0.058 0.000 0.799 419 E CB -0.186 29.532 29.700 0.031 0.000 0.748 419 E HN 0.610 nan 8.360 nan 0.000 0.449 420 K N 0.170 120.603 120.400 0.056 0.000 2.074 420 K HA -0.127 4.193 4.320 0.000 0.000 0.209 420 K C 1.992 178.633 176.600 0.069 0.000 1.048 420 K CA 1.235 57.554 56.287 0.053 0.000 0.926 420 K CB -0.057 32.469 32.500 0.043 0.000 0.713 420 K HN 0.097 nan 8.250 nan 0.000 0.444 421 M N 0.390 120.037 119.600 0.079 0.000 2.492 421 M HA -0.045 4.435 4.480 0.000 0.000 0.262 421 M C 0.065 176.455 176.300 0.151 0.000 1.090 421 M CA 1.107 56.460 55.300 0.087 0.000 1.110 421 M CB -0.485 32.161 32.600 0.077 0.000 1.407 421 M HN 0.215 nan 8.290 nan 0.000 0.470 422 Q N 0.421 120.315 119.800 0.157 0.000 2.481 422 Q HA -0.215 4.125 4.340 0.000 0.000 0.283 422 Q C 0.178 176.338 176.000 0.267 0.000 1.292 422 Q CA 0.277 56.200 55.803 0.199 0.000 0.819 422 Q CB -1.129 27.771 28.738 0.270 0.000 1.202 422 Q HN 0.379 nan 8.270 nan 0.000 0.446 423 D N 0.138 120.659 120.400 0.203 0.000 2.106 423 D HA -0.177 4.463 4.640 0.000 0.000 0.191 423 D C 1.791 178.208 176.300 0.195 0.000 0.997 423 D CA 1.678 55.803 54.000 0.208 0.000 0.834 423 D CB -0.191 40.706 40.800 0.163 0.000 0.956 423 D HN 0.587 nan 8.370 nan 0.000 0.448 424 A N 0.648 123.553 122.820 0.142 0.000 2.024 424 A HA -0.225 4.095 4.320 0.000 0.000 0.220 424 A C 2.040 179.670 177.584 0.078 0.000 1.164 424 A CA 1.830 53.939 52.037 0.120 0.000 0.643 424 A CB -0.507 18.545 19.000 0.086 0.000 0.806 424 A HN 0.246 nan 8.150 nan 0.000 0.451 425 K N -2.057 118.358 120.400 0.026 0.000 2.167 425 K HA -0.066 4.254 4.320 0.000 0.000 0.203 425 K C 1.270 177.703 176.600 -0.279 0.000 1.052 425 K CA 1.269 57.458 56.287 -0.162 0.000 0.956 425 K CB -0.159 32.169 32.500 -0.286 0.000 0.735 425 K HN 0.548 nan 8.250 nan 0.000 0.451 426 Y N -0.767 119.575 120.300 0.070 0.000 2.535 426 Y HA 0.308 4.858 4.550 0.000 0.000 0.266 426 Y C 2.011 177.964 175.900 0.087 0.000 1.088 426 Y CA 0.238 58.377 58.100 0.066 0.000 1.285 426 Y CB 0.334 38.829 38.460 0.059 0.000 1.166 426 Y HN 0.097 nan 8.280 nan 0.000 0.525 427 A N 0.477 123.459 122.820 0.269 0.000 2.121 427 A HA 0.389 4.709 4.320 0.000 0.000 0.218 427 A C 1.480 179.245 177.584 0.302 0.000 1.154 427 A CA 1.517 53.723 52.037 0.281 0.000 0.679 427 A CB -0.938 18.240 19.000 0.297 0.000 0.795 427 A HN 0.504 nan 8.150 nan 0.000 0.458 428 G N -2.071 106.831 108.800 0.171 0.000 2.316 428 G HA2 0.414 4.374 3.960 0.000 0.000 0.349 428 G HA3 0.414 4.374 3.960 0.000 0.000 0.349 428 G C -0.439 174.389 174.900 -0.120 0.000 1.274 428 G CA -0.072 44.984 45.100 -0.073 0.000 1.018 428 G HN 1.575 nan 8.290 nan 0.000 0.486 429 S N -1.470 113.975 115.700 -0.424 0.000 2.564 429 S HA 0.781 5.251 4.470 0.000 0.000 0.274 429 S C -0.844 173.595 174.600 -0.268 0.000 1.124 429 S CA -0.460 57.622 58.200 -0.196 0.000 0.869 429 S CB 2.235 65.378 63.200 -0.096 0.000 1.105 429 S HN 1.656 nan 8.310 nan 0.000 0.472 430 I N 2.170 122.778 120.570 0.063 0.000 2.404 430 I HA 0.453 4.623 4.170 0.000 0.000 0.293 430 I C -0.737 175.434 176.117 0.090 0.000 0.992 430 I CA -0.582 60.805 61.300 0.144 0.000 1.149 430 I CB 1.181 39.381 38.000 0.334 0.000 1.315 430 I HN 0.973 nan 8.210 nan 0.000 0.446 431 D N 5.070 125.489 120.400 0.031 0.000 2.478 431 D HA 0.044 4.684 4.640 0.000 0.000 0.269 431 D C 0.713 177.070 176.300 0.096 0.000 1.232 431 D CA -0.292 53.733 54.000 0.042 0.000 1.059 431 D CB 0.427 41.227 40.800 0.001 0.000 1.104 431 D HN 0.607 nan 8.370 nan 0.000 0.566 432 D N -1.649 118.827 120.400 0.127 0.000 2.350 432 D HA -0.164 4.476 4.640 0.000 0.000 0.216 432 D C 1.220 177.668 176.300 0.246 0.000 0.968 432 D CA 1.288 55.431 54.000 0.239 0.000 0.894 432 D CB -0.692 40.210 40.800 0.170 0.000 0.909 432 D HN 0.499 nan 8.370 nan 0.000 0.520 433 T N -4.217 110.361 114.554 0.041 0.000 3.122 433 T HA 0.412 4.762 4.350 0.000 0.000 0.250 433 T C 1.558 176.051 174.700 -0.346 0.000 1.067 433 T CA 0.301 62.387 62.100 -0.023 0.000 0.966 433 T CB -0.072 68.781 68.868 -0.025 0.000 1.002 433 T HN 0.303 nan 8.240 nan 0.000 0.542 434 G N 1.114 109.434 108.800 -0.800 0.000 2.147 434 G HA2 -0.196 3.764 3.960 0.000 0.000 0.244 434 G HA3 -0.196 3.764 3.960 0.000 0.000 0.244 434 G C -0.221 174.378 174.900 -0.501 0.000 1.005 434 G CA 0.135 44.358 45.100 -1.461 0.000 0.713 434 G HN 0.774 nan 8.290 nan 0.000 0.515 435 L N 0.856 121.942 121.223 -0.229 0.000 2.257 435 L HA 0.802 5.142 4.340 0.000 0.000 0.290 435 L C -0.092 176.801 176.870 0.038 0.000 1.044 435 L CA -1.625 53.170 54.840 -0.075 0.000 0.810 435 L CB 0.448 42.459 42.059 -0.080 0.000 1.193 435 L HN 0.154 nan 8.230 nan 0.000 0.425 436 F N 4.324 124.280 119.950 0.009 0.000 2.411 436 F HA 0.503 5.030 4.527 -0.000 0.000 0.355 436 F C 0.070 175.883 175.800 0.022 0.000 1.117 436 F CA -0.008 58.032 58.000 0.066 0.000 1.139 436 F CB 0.900 40.021 39.000 0.201 0.000 1.120 436 F HN 0.525 nan 8.300 nan 0.000 0.493 437 T N 8.602 122.759 114.554 -0.661 0.000 2.770 437 T HA 0.351 4.701 4.350 0.000 0.000 0.283 437 T C -2.468 171.832 174.700 -0.667 0.000 0.988 437 T CA -1.197 60.636 62.100 -0.444 0.000 0.957 437 T CB 1.377 70.084 68.868 -0.270 0.000 0.930 437 T HN 0.397 nan 8.240 nan 0.000 0.443 438 P HA 0.442 nan 4.420 nan 0.000 0.275 438 P C -0.587 176.681 177.300 -0.053 0.000 1.266 438 P CA -0.521 62.552 63.100 -0.045 0.000 0.793 438 P CB 0.747 32.536 31.700 0.149 0.000 1.074 439 A N 0.260 123.100 122.820 0.033 0.000 2.240 439 A HA 0.349 4.669 4.320 0.000 0.000 0.292 439 A C 0.113 177.718 177.584 0.034 0.000 1.121 439 A CA -0.294 51.763 52.037 0.034 0.000 0.851 439 A CB -0.467 18.585 19.000 0.087 0.000 1.167 439 A HN 0.473 nan 8.150 nan 0.000 0.503 440 E N -0.170 120.051 120.200 0.035 0.000 2.392 440 E HA 0.447 4.797 4.350 0.000 0.000 0.264 440 E C 0.512 177.133 176.600 0.036 0.000 1.024 440 E CA 0.827 57.244 56.400 0.028 0.000 0.903 440 E CB 0.780 30.498 29.700 0.029 0.000 0.963 440 E HN 0.780 nan 8.360 nan 0.000 0.432 441 A N 1.905 124.741 122.820 0.026 0.000 2.249 441 A HA 0.753 5.073 4.320 0.000 0.000 0.281 441 A C 0.584 178.190 177.584 0.037 0.000 1.127 441 A CA 0.272 52.327 52.037 0.030 0.000 0.833 441 A CB -0.045 18.965 19.000 0.017 0.000 1.140 441 A HN 0.840 nan 8.150 nan 0.000 0.502 442 G N -1.556 107.271 108.800 0.046 0.000 2.699 442 G HA2 0.092 4.052 3.960 0.000 0.000 0.686 442 G HA3 0.092 4.052 3.960 0.000 0.000 0.686 442 G C -3.197 171.721 174.900 0.030 0.000 1.301 442 G CA -0.480 44.645 45.100 0.043 0.000 0.816 442 G HN 0.750 nan 8.290 nan 0.000 0.595 443 P HA 0.281 nan 4.420 nan 0.000 0.271 443 P C -0.384 176.915 177.300 -0.001 0.000 1.216 443 P CA -0.426 62.678 63.100 0.006 0.000 0.776 443 P CB 0.690 32.392 31.700 0.003 0.000 0.881 444 N N 3.784 122.471 118.700 -0.022 0.000 2.546 444 N HA 0.173 4.913 4.740 0.000 0.000 0.238 444 N C -1.683 173.796 175.510 -0.052 0.000 0.984 444 N CA -2.642 50.389 53.050 -0.033 0.000 0.935 444 N CB 0.662 39.111 38.487 -0.064 0.000 1.122 444 N HN 0.188 nan 8.380 nan 0.000 0.510 445 P HA -0.141 nan 4.420 nan 0.000 0.226 445 P C 0.583 177.865 177.300 -0.030 0.000 1.146 445 P CA 0.947 64.034 63.100 -0.023 0.000 0.773 445 P CB 0.526 32.222 31.700 -0.005 0.000 0.772 446 E N -0.412 119.764 120.200 -0.040 0.000 2.435 446 E HA -0.005 4.345 4.350 0.000 0.000 0.195 446 E C 0.613 177.142 176.600 -0.117 0.000 1.029 446 E CA 0.013 56.394 56.400 -0.031 0.000 0.865 446 E CB 0.232 29.959 29.700 0.045 0.000 0.833 446 E HN 0.270 nan 8.360 nan 0.000 0.510 447 R N 1.275 121.655 120.500 -0.199 0.000 2.720 447 R HA 0.339 4.679 4.340 0.000 0.000 0.272 447 R C -2.428 173.799 176.300 -0.122 0.000 0.991 447 R CA -2.185 53.764 56.100 -0.253 0.000 1.010 447 R CB 0.695 30.768 30.300 -0.377 0.000 1.141 447 R HN 0.010 nan 8.270 nan 0.000 0.494 448 P HA -0.074 nan 4.420 nan 0.000 0.266 448 P C -0.000 177.274 177.300 -0.042 0.000 1.195 448 P CA 0.488 63.560 63.100 -0.046 0.000 0.768 448 P CB 0.542 32.225 31.700 -0.028 0.000 0.838 449 M N -0.341 119.242 119.600 -0.028 0.000 2.872 449 M HA -0.299 4.181 4.480 0.000 0.000 0.183 449 M C 0.338 176.621 176.300 -0.028 0.000 0.631 449 M CA 1.106 56.393 55.300 -0.022 0.000 0.672 449 M CB -2.154 30.436 32.600 -0.017 0.000 2.432 449 M HN 0.530 nan 8.290 nan 0.000 0.376 450 Q N -1.685 118.091 119.800 -0.040 0.000 2.481 450 Q HA -0.185 4.155 4.340 0.000 0.000 0.272 450 Q C 0.377 176.350 176.000 -0.045 0.000 1.157 450 Q CA 1.260 57.036 55.803 -0.044 0.000 0.935 450 Q CB -1.955 26.768 28.738 -0.025 0.000 1.338 450 Q HN 0.682 nan 8.270 nan 0.000 0.494 451 T N 0.612 115.133 114.554 -0.054 0.000 2.795 451 T HA 0.088 4.438 4.350 0.000 0.000 0.314 451 T C 0.700 175.374 174.700 -0.044 0.000 1.069 451 T CA -0.277 61.799 62.100 -0.041 0.000 1.071 451 T CB 0.504 69.350 68.868 -0.036 0.000 0.988 451 T HN 0.292 nan 8.240 nan 0.000 0.543 452 N N 2.487 121.180 118.700 -0.012 0.000 2.371 452 N HA -0.002 4.738 4.740 0.000 0.000 0.243 452 N C 0.091 175.606 175.510 0.009 0.000 1.287 452 N CA -0.008 53.046 53.050 0.007 0.000 0.911 452 N CB 0.070 38.575 38.487 0.030 0.000 1.142 452 N HN 0.613 nan 8.380 nan 0.000 0.451 453 N N -0.166 118.559 118.700 0.042 0.000 2.906 453 N HA 0.122 4.862 4.740 0.000 0.000 0.282 453 N C -0.338 175.245 175.510 0.122 0.000 1.293 453 N CA -0.444 52.662 53.050 0.094 0.000 1.059 453 N CB 0.182 38.742 38.487 0.123 0.000 1.388 453 N HN 0.442 nan 8.380 nan 0.000 0.533 454 A N 0.122 123.000 122.820 0.097 0.000 2.256 454 A HA 0.915 5.235 4.320 0.000 0.000 0.318 454 A C 0.500 178.164 177.584 0.133 0.000 1.103 454 A CA -0.454 51.651 52.037 0.113 0.000 0.860 454 A CB 1.135 20.183 19.000 0.081 0.000 1.182 454 A HN 0.274 nan 8.150 nan 0.000 0.501 455 G N -0.604 108.282 108.800 0.143 0.000 2.579 455 G HA2 0.407 4.367 3.960 0.000 0.000 0.292 455 G HA3 0.407 4.367 3.960 0.000 0.000 0.292 455 G C -1.530 173.458 174.900 0.146 0.000 1.484 455 G CA -0.763 44.426 45.100 0.149 0.000 0.813 455 G HN 0.820 nan 8.290 nan 0.000 0.515 456 N N 0.766 119.558 118.700 0.155 0.000 2.500 456 N HA 0.506 5.246 4.740 0.000 0.000 0.236 456 N C -0.103 175.481 175.510 0.123 0.000 1.022 456 N CA -0.429 52.707 53.050 0.142 0.000 0.935 456 N CB 0.433 39.048 38.487 0.214 0.000 1.147 456 N HN 0.341 nan 8.380 nan 0.000 0.512 457 L N 1.711 122.950 121.223 0.026 0.000 2.304 457 L HA 0.548 4.888 4.340 0.000 0.000 0.268 457 L C -0.108 176.799 176.870 0.060 0.000 1.010 457 L CA -0.989 53.878 54.840 0.045 0.000 0.813 457 L CB 1.741 43.780 42.059 -0.033 0.000 1.315 457 L HN 0.345 nan 8.230 nan 0.000 0.445 458 K N 0.426 120.866 120.400 0.066 0.000 2.324 458 K HA 0.629 4.949 4.320 0.000 0.000 0.253 458 K C -1.674 174.897 176.600 -0.048 0.000 0.932 458 K CA -0.560 55.760 56.287 0.054 0.000 0.799 458 K CB 2.191 34.723 32.500 0.053 0.000 1.154 458 K HN 0.330 nan 8.250 nan 0.000 0.425 459 V N 6.277 126.117 119.914 -0.124 0.000 2.384 459 V HA 0.402 4.522 4.120 0.000 0.000 0.287 459 V C -0.179 175.860 176.094 -0.092 0.000 1.020 459 V CA -0.781 61.407 62.300 -0.186 0.000 0.850 459 V CB 1.076 32.540 31.823 -0.597 0.000 0.987 459 V HN 0.698 nan 8.190 nan 0.000 0.436 460 I N 2.634 123.181 120.570 -0.039 0.000 2.433 460 I HA 0.988 5.158 4.170 0.000 0.000 0.292 460 I C -0.120 175.893 176.117 -0.172 0.000 1.001 460 I CA -0.536 60.715 61.300 -0.080 0.000 1.119 460 I CB 1.864 39.820 38.000 -0.074 0.000 1.289 460 I HN 0.561 nan 8.210 nan 0.000 0.438 461 A N 3.975 126.600 122.820 -0.324 0.000 2.350 461 A HA 0.769 5.089 4.320 0.000 0.000 0.324 461 A C -0.326 176.985 177.584 -0.454 0.000 1.118 461 A CA -0.614 50.990 52.037 -0.722 0.000 0.783 461 A CB 1.708 20.005 19.000 -1.172 0.000 1.236 461 A HN 0.770 nan 8.150 nan 0.000 0.457 462 T N 1.818 116.099 114.554 -0.456 0.000 2.930 462 T HA 0.498 4.848 4.350 0.000 0.000 0.313 462 T C -0.659 173.897 174.700 -0.239 0.000 1.019 462 T CA -0.219 61.720 62.100 -0.269 0.000 1.004 462 T CB -0.086 68.672 68.868 -0.182 0.000 0.987 462 T HN 1.572 nan 8.240 nan 0.000 0.456 463 V N 2.867 122.664 119.914 -0.194 0.000 2.465 463 V HA 0.562 4.682 4.120 0.000 0.000 0.279 463 V C 0.409 176.456 176.094 -0.079 0.000 1.045 463 V CA -0.618 61.608 62.300 -0.123 0.000 0.938 463 V CB 1.412 33.151 31.823 -0.140 0.000 0.986 463 V HN 0.805 nan 8.190 nan 0.000 0.467 464 D N 4.391 124.777 120.400 -0.023 0.000 2.713 464 D HA 0.439 5.079 4.640 0.000 0.000 0.229 464 D C 0.375 176.692 176.300 0.028 0.000 1.136 464 D CA 0.240 54.238 54.000 -0.003 0.000 1.010 464 D CB -0.043 40.765 40.800 0.013 0.000 1.084 464 D HN 1.046 nan 8.370 nan 0.000 0.495 465 A N 2.532 125.354 122.820 0.003 0.000 2.290 465 A HA 0.440 4.760 4.320 0.000 0.000 0.310 465 A C 0.548 178.146 177.584 0.023 0.000 1.202 465 A CA -0.715 51.346 52.037 0.039 0.000 0.837 465 A CB 0.792 19.786 19.000 -0.011 0.000 1.139 465 A HN 0.274 nan 8.150 nan 0.000 0.509 466 E N 0.295 120.520 120.200 0.041 0.000 2.410 466 E HA 0.402 4.752 4.350 0.000 0.000 0.255 466 E C 1.274 177.886 176.600 0.020 0.000 1.194 466 E CA 1.199 57.613 56.400 0.023 0.000 0.955 466 E CB 0.751 30.464 29.700 0.022 0.000 0.988 466 E HN 1.337 nan 8.360 nan 0.000 0.461 467 G N 0.519 109.325 108.800 0.010 0.000 2.475 467 G HA2 -0.320 3.640 3.960 0.000 0.000 0.209 467 G HA3 -0.320 3.640 3.960 0.000 0.000 0.209 467 G C 0.624 175.523 174.900 -0.002 0.000 1.127 467 G CA 0.477 45.581 45.100 0.008 0.000 0.681 467 G HN 0.476 nan 8.290 nan 0.000 0.517 468 E N -0.878 119.319 120.200 -0.006 0.000 4.979 468 E HA -0.186 4.164 4.350 0.000 0.000 0.189 468 E C -1.833 174.748 176.600 -0.030 0.000 1.006 468 E CA 1.794 58.183 56.400 -0.018 0.000 2.188 468 E CB -2.475 27.217 29.700 -0.013 0.000 1.757 468 E HN 0.571 nan 8.360 nan 0.000 0.479 469 P HA 0.176 nan 4.420 nan 0.000 0.256 469 P C -0.886 176.386 177.300 -0.048 0.000 1.688 469 P CA 0.319 63.398 63.100 -0.035 0.000 1.162 469 P CB -0.183 31.500 31.700 -0.028 0.000 1.870 470 L N 1.879 123.064 121.223 -0.063 0.000 2.372 470 L HA 0.616 4.956 4.340 0.000 0.000 0.274 470 L C 0.062 176.873 176.870 -0.100 0.000 0.988 470 L CA 0.038 54.827 54.840 -0.084 0.000 0.833 470 L CB 1.902 43.893 42.059 -0.113 0.000 1.236 470 L HN 0.068 nan 8.230 nan 0.000 0.410 471 S N 2.493 118.138 115.700 -0.092 0.000 2.565 471 S HA 0.995 5.465 4.470 0.000 0.000 0.269 471 S C -1.716 172.834 174.600 -0.083 0.000 1.153 471 S CA 0.169 58.305 58.200 -0.107 0.000 0.835 471 S CB 1.675 64.817 63.200 -0.096 0.000 1.122 471 S HN 0.905 nan 8.310 nan 0.000 0.462 472 A N 1.954 124.718 122.820 -0.093 0.000 2.610 472 A HA 0.836 5.156 4.320 0.000 0.000 0.291 472 A C -1.602 175.951 177.584 -0.051 0.000 1.086 472 A CA -0.734 51.274 52.037 -0.049 0.000 0.677 472 A CB 1.426 20.423 19.000 -0.005 0.000 1.278 472 A HN 0.759 nan 8.150 nan 0.000 0.414 473 E N -0.463 119.728 120.200 -0.015 0.000 2.336 473 E HA 0.723 5.073 4.350 0.000 0.000 0.267 473 E C -0.580 176.038 176.600 0.030 0.000 0.906 473 E CA -0.966 55.426 56.400 -0.014 0.000 0.781 473 E CB 2.510 32.195 29.700 -0.025 0.000 1.261 473 E HN 1.045 nan 8.360 nan 0.000 0.436 474 A N 1.092 123.913 122.820 0.002 0.000 2.498 474 A HA 0.480 4.800 4.320 0.000 0.000 0.298 474 A C -1.597 176.017 177.584 0.051 0.000 1.075 474 A CA -0.646 51.419 52.037 0.046 0.000 0.714 474 A CB 1.398 20.391 19.000 -0.012 0.000 1.299 474 A HN 0.618 nan 8.150 nan 0.000 0.407 475 H N 1.230 120.279 119.070 -0.035 0.000 2.556 475 H HA 0.597 5.153 4.556 -0.000 0.000 0.310 475 H C -1.577 173.579 175.328 -0.287 0.000 1.057 475 H CA -0.717 55.204 56.048 -0.212 0.000 1.264 475 H CB 1.119 30.698 29.762 -0.305 0.000 1.404 475 H HN 0.538 nan 8.280 nan 0.000 0.462 476 L N 6.863 128.036 121.223 -0.082 0.000 2.325 476 L HA 0.345 4.685 4.340 0.000 0.000 0.281 476 L C -1.734 174.937 176.870 -0.333 0.000 1.004 476 L CA -0.537 54.186 54.840 -0.195 0.000 0.823 476 L CB 0.764 42.709 42.059 -0.192 0.000 1.236 476 L HN 0.507 nan 8.230 nan 0.000 0.415 477 Y N 4.641 124.840 120.300 -0.168 0.000 2.504 477 Y HA 0.603 5.153 4.550 0.000 0.000 0.339 477 Y C 0.700 176.543 175.900 -0.094 0.000 0.974 477 Y CA -0.681 57.330 58.100 -0.149 0.000 1.232 477 Y CB 1.361 39.706 38.460 -0.192 0.000 1.108 477 Y HN 0.783 nan 8.280 nan 0.000 0.509 478 A N 3.606 126.475 122.820 0.081 0.000 2.437 478 A HA 0.382 4.702 4.320 0.000 0.000 0.303 478 A C 0.395 178.052 177.584 0.121 0.000 1.324 478 A CA -0.010 52.095 52.037 0.113 0.000 0.983 478 A CB 0.061 19.170 19.000 0.182 0.000 1.142 478 A HN 0.658 nan 8.150 nan 0.000 0.541 479 T N 0.940 115.548 114.554 0.089 0.000 2.819 479 T HA 0.596 4.946 4.350 0.000 0.000 0.271 479 T C 0.515 175.237 174.700 0.036 0.000 0.986 479 T CA 0.227 62.358 62.100 0.051 0.000 0.989 479 T CB 0.815 69.686 68.868 0.004 0.000 1.396 479 T HN 1.210 nan 8.240 nan 0.000 0.597 480 V N 0.651 120.575 119.914 0.017 0.000 3.336 480 V HA 0.595 4.715 4.120 0.000 0.000 0.304 480 V C -0.183 175.893 176.094 -0.031 0.000 1.073 480 V CA -0.726 61.582 62.300 0.013 0.000 1.074 480 V CB 0.270 32.118 31.823 0.041 0.000 1.161 480 V HN 0.897 nan 8.190 nan 0.000 0.460 481 Q N 1.162 120.915 119.800 -0.079 0.000 2.443 481 Q HA 0.449 4.789 4.340 0.000 0.000 0.232 481 Q C -0.033 175.814 176.000 -0.255 0.000 1.026 481 Q CA -0.195 55.462 55.803 -0.244 0.000 0.924 481 Q CB 0.325 28.756 28.738 -0.511 0.000 1.256 481 Q HN 0.885 nan 8.270 nan 0.000 0.519 482 R N 0.096 120.407 120.500 -0.314 0.000 2.494 482 R HA 0.429 4.769 4.340 0.000 0.000 0.305 482 R C -0.915 175.202 176.300 -0.305 0.000 0.959 482 R CA -0.510 55.492 56.100 -0.163 0.000 0.864 482 R CB 0.572 30.823 30.300 -0.082 0.000 1.159 482 R HN 0.556 nan 8.270 nan 0.000 0.446 483 F N 1.266 121.207 119.950 -0.014 0.000 2.746 483 F HA 0.221 4.748 4.527 0.000 0.000 0.297 483 F C 0.367 176.163 175.800 -0.007 0.000 1.113 483 F CA -0.180 57.814 58.000 -0.010 0.000 1.367 483 F CB 0.993 39.987 39.000 -0.010 0.000 1.111 483 F HN 0.169 nan 8.300 nan 0.000 0.590 484 V N 0.462 120.454 119.914 0.129 0.000 2.495 484 V HA 0.441 4.561 4.120 0.000 0.000 0.298 484 V C -0.908 175.204 176.094 0.031 0.000 1.031 484 V CA -0.610 61.736 62.300 0.077 0.000 0.871 484 V CB 1.930 33.796 31.823 0.072 0.000 0.988 484 V HN -0.078 nan 8.190 nan 0.000 0.432 485 D N 2.092 122.504 120.400 0.020 0.000 2.583 485 D HA 0.885 5.525 4.640 0.000 0.000 0.248 485 D C -0.984 175.319 176.300 0.005 0.000 1.209 485 D CA 0.003 54.003 54.000 0.000 0.000 0.848 485 D CB 2.669 43.456 40.800 -0.022 0.000 1.431 485 D HN 0.842 nan 8.370 nan 0.000 0.436 486 A N 1.154 123.971 122.820 -0.004 0.000 2.601 486 A HA 0.596 4.916 4.320 0.000 0.000 0.291 486 A C -2.350 175.223 177.584 -0.019 0.000 1.075 486 A CA -0.886 51.147 52.037 -0.007 0.000 0.671 486 A CB 0.969 19.968 19.000 -0.002 0.000 1.277 486 A HN 0.376 nan 8.150 nan 0.000 0.417 487 P HA -0.064 nan 4.420 nan 0.000 0.217 487 P C -0.061 177.219 177.300 -0.034 0.000 1.151 487 P CA 1.383 64.470 63.100 -0.023 0.000 0.849 487 P CB 0.073 31.760 31.700 -0.022 0.000 0.787 488 I N -1.227 119.315 120.570 -0.046 0.000 2.439 488 I HA 0.234 4.404 4.170 0.000 0.000 0.285 488 I C 0.649 176.739 176.117 -0.045 0.000 1.021 488 I CA -0.925 60.339 61.300 -0.059 0.000 1.091 488 I CB 2.070 40.012 38.000 -0.096 0.000 1.242 488 I HN -0.211 nan 8.210 nan 0.000 0.439 489 R N 0.000 120.492 120.500 -0.014 0.000 2.786 489 R HA 0.000 4.340 4.340 0.000 0.000 0.208 489 R CA 0.000 56.114 56.100 0.023 0.000 0.921 489 R CB 0.000 30.314 30.300 0.024 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535