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 1q3r_1_A DATA FIRST_RESID 9 DATA SEQUENCE VVILPEGTQR YVGRDAQRLN ILAARIIAET VRTTLGPKGM DKMLVDSLGD DATA SEQUENCE IVVTNDGATI LDKIDLQHPA AKMMVEVAKT QDKEAGDGTT TAVVIAGELL DATA SEQUENCE RKAEELLDQN IHPSIITKGY ALAAEKAQEI LDEIAIRVDP DDEETLLKIA DATA SEQUENCE ATSITGKNAE SHKELLAKLA VEAVKQVAEK KDGKYVVDLD NIKFEKKAGE DATA SEQUENCE GVEESELVRG VVIDKEVVHP RMPKRVENAK IALINEALEV KKTETDAKIN DATA SEQUENCE ITSPDQLMSF LEQEEKMLKD MVDHIAQTGA NVVFVQKGID DLAQHYLAKY DATA SEQUENCE GIMAVRRVKK SDMEKLAKAT GAKIVTNVKD LTPEDLGYAE VVEERKLAGE DATA SEQUENCE NMIFVEGCKN PKAVTILIRG GTEHVIDEVE RALEDAVKVV KDVMEDGAVL DATA SEQUENCE PAGGAPEIEL AIRLDEYAKQ VGGKEALAIE NFADALKIIP KTLAENAGLD DATA SEQUENCE TVEMLVKVIS EHKNRGLGIG IDVFEGKPAD MLEKGIIEPL RVKKQAIKSA DATA SEQUENCE SEAAIMILRI DDVIAAKA 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.089 176.094 -0.009 0.000 1.182 9 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 9 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 10 V N 6.159 126.068 119.914 -0.008 0.000 2.377 10 V HA 0.129 4.249 4.120 0.000 0.000 0.254 10 V C 1.145 177.234 176.094 -0.008 0.000 1.060 10 V CA 0.385 62.680 62.300 -0.009 0.000 1.068 10 V CB 0.129 31.947 31.823 -0.008 0.000 1.113 10 V HN 0.712 nan 8.190 nan 0.000 0.484 11 I N 4.067 124.632 120.570 -0.009 0.000 2.729 11 I HA 0.195 4.366 4.170 0.000 0.000 0.256 11 I C 0.838 176.950 176.117 -0.007 0.000 1.115 11 I CA 0.888 62.183 61.300 -0.007 0.000 1.446 11 I CB -0.200 37.795 38.000 -0.007 0.000 1.176 11 I HN 0.349 nan 8.210 nan 0.000 0.446 12 L N 1.532 122.749 121.223 -0.010 0.000 2.360 12 L HA 0.356 4.697 4.340 0.000 0.000 0.271 12 L C -2.131 174.734 176.870 -0.009 0.000 1.057 12 L CA -1.633 53.201 54.840 -0.009 0.000 0.803 12 L CB 0.633 42.685 42.059 -0.012 0.000 1.207 12 L HN -0.075 nan 8.230 nan 0.000 0.445 13 P HA 0.094 nan 4.420 nan 0.000 0.275 13 P C -1.093 176.202 177.300 -0.008 0.000 1.227 13 P CA -0.554 62.542 63.100 -0.006 0.000 0.781 13 P CB 0.488 32.185 31.700 -0.004 0.000 0.906 14 E N 1.899 122.094 120.200 -0.008 0.000 2.452 14 E HA 0.283 4.633 4.350 0.000 0.000 0.261 14 E C 1.034 177.630 176.600 -0.007 0.000 0.987 14 E CA 0.457 56.852 56.400 -0.009 0.000 0.926 14 E CB -0.488 29.207 29.700 -0.008 0.000 0.934 14 E HN 0.724 nan 8.360 nan 0.000 0.452 15 G N 2.687 111.482 108.800 -0.008 0.000 2.218 15 G HA2 -0.229 3.732 3.960 0.000 0.000 0.216 15 G HA3 -0.229 3.732 3.960 0.000 0.000 0.216 15 G C 0.294 175.193 174.900 -0.002 0.000 0.994 15 G CA 0.011 45.109 45.100 -0.004 0.000 0.637 15 G HN 0.762 nan 8.290 nan 0.000 0.505 16 T N 1.962 116.512 114.554 -0.007 0.000 2.907 16 T HA 0.546 4.897 4.350 0.000 0.000 0.298 16 T C 0.185 174.878 174.700 -0.012 0.000 1.017 16 T CA 0.287 62.384 62.100 -0.004 0.000 1.118 16 T CB 1.294 70.158 68.868 -0.007 0.000 0.948 16 T HN 0.427 nan 8.240 nan 0.000 0.531 17 Q N 1.711 121.515 119.800 0.007 0.000 2.342 17 Q HA 0.653 4.993 4.340 0.000 0.000 0.267 17 Q C -0.435 175.564 176.000 -0.002 0.000 1.038 17 Q CA -0.860 54.941 55.803 -0.004 0.000 0.832 17 Q CB 2.561 31.369 28.738 0.118 0.000 1.323 17 Q HN 0.433 nan 8.270 nan 0.000 0.448 18 R N 1.762 122.164 120.500 -0.163 0.000 2.604 18 R HA 0.493 4.833 4.340 0.000 0.000 0.281 18 R C -1.906 174.194 176.300 -0.333 0.000 1.020 18 R CA -0.429 55.614 56.100 -0.095 0.000 0.899 18 R CB 1.383 31.642 30.300 -0.069 0.000 1.205 18 R HN 0.615 nan 8.270 nan 0.000 0.450 19 Y N 2.293 122.594 120.300 0.001 0.000 2.477 19 Y HA 0.542 5.092 4.550 0.000 0.000 0.347 19 Y C -0.308 175.594 175.900 0.004 0.000 0.981 19 Y CA -0.749 57.355 58.100 0.006 0.000 1.033 19 Y CB 2.425 40.895 38.460 0.017 0.000 1.245 19 Y HN 0.360 nan 8.280 nan 0.000 0.455 20 V N -0.733 119.255 119.914 0.123 0.000 3.078 20 V HA 1.023 5.143 4.120 0.000 0.000 0.311 20 V C 0.314 176.440 176.094 0.053 0.000 1.138 20 V CA -0.423 61.919 62.300 0.070 0.000 1.007 20 V CB 1.192 33.032 31.823 0.029 0.000 1.045 20 V HN 1.302 nan 8.190 nan 0.000 0.432 21 G N 2.691 111.508 108.800 0.029 0.000 2.596 21 G HA2 -0.398 3.562 3.960 0.000 0.000 0.295 21 G HA3 -0.398 3.562 3.960 0.000 0.000 0.295 21 G C 0.919 175.827 174.900 0.014 0.000 1.240 21 G CA 1.692 46.797 45.100 0.007 0.000 0.985 21 G HN 1.674 nan 8.290 nan 0.000 0.555 22 R N 0.301 120.805 120.500 0.006 0.000 2.170 22 R HA -0.125 4.216 4.340 0.000 0.000 0.242 22 R C 2.005 178.323 176.300 0.029 0.000 1.145 22 R CA 2.600 58.704 56.100 0.007 0.000 0.984 22 R CB -0.471 29.830 30.300 0.002 0.000 0.869 22 R HN 0.576 nan 8.270 nan 0.000 0.455 23 D N 0.311 120.747 120.400 0.060 0.000 2.123 23 D HA -0.068 4.572 4.640 0.000 0.000 0.200 23 D C 1.792 178.161 176.300 0.115 0.000 0.976 23 D CA 1.552 55.618 54.000 0.111 0.000 0.831 23 D CB -0.312 40.590 40.800 0.171 0.000 0.974 23 D HN 0.406 nan 8.370 nan 0.000 0.469 24 A N 0.791 123.679 122.820 0.114 0.000 1.933 24 A HA -0.218 4.102 4.320 0.000 0.000 0.218 24 A C 2.077 179.678 177.584 0.028 0.000 1.175 24 A CA 1.377 53.466 52.037 0.087 0.000 0.628 24 A CB -0.482 18.572 19.000 0.089 0.000 0.814 24 A HN 0.236 nan 8.150 nan 0.000 0.444 25 Q N -0.944 118.868 119.800 0.019 0.000 2.049 25 Q HA -0.125 4.215 4.340 0.000 0.000 0.198 25 Q C 2.357 178.349 176.000 -0.013 0.000 0.971 25 Q CA 1.258 57.061 55.803 -0.001 0.000 0.833 25 Q CB -0.275 28.458 28.738 -0.009 0.000 0.896 25 Q HN 0.710 nan 8.270 nan 0.000 0.434 26 R N 0.856 121.351 120.500 -0.008 0.000 2.097 26 R HA -0.190 4.150 4.340 0.000 0.000 0.236 26 R C 2.239 178.509 176.300 -0.050 0.000 1.135 26 R CA 1.375 57.463 56.100 -0.020 0.000 0.934 26 R CB -0.265 30.034 30.300 -0.002 0.000 0.846 26 R HN 0.165 nan 8.270 nan 0.000 0.431 27 L N 1.136 122.323 121.223 -0.059 0.000 1.970 27 L HA -0.212 4.129 4.340 0.000 0.000 0.212 27 L C 2.083 178.863 176.870 -0.149 0.000 1.071 27 L CA 2.198 56.967 54.840 -0.118 0.000 0.751 27 L CB -1.697 40.249 42.059 -0.189 0.000 0.889 27 L HN 0.435 nan 8.230 nan 0.000 0.432 28 N N -0.244 118.423 118.700 -0.054 0.000 2.069 28 N HA -0.189 4.551 4.740 0.000 0.000 0.191 28 N C 1.932 177.391 175.510 -0.086 0.000 1.031 28 N CA 1.052 54.088 53.050 -0.024 0.000 0.852 28 N CB -0.031 38.472 38.487 0.028 0.000 1.018 28 N HN 0.284 nan 8.380 nan 0.000 0.423 29 I N 0.920 121.452 120.570 -0.065 0.000 2.252 29 I HA -0.213 3.957 4.170 0.000 0.000 0.245 29 I C 2.293 178.357 176.117 -0.088 0.000 1.102 29 I CA 0.723 61.989 61.300 -0.057 0.000 1.385 29 I CB -0.186 37.796 38.000 -0.031 0.000 1.064 29 I HN 0.234 nan 8.210 nan 0.000 0.414 30 L N 0.689 121.845 121.223 -0.112 0.000 2.083 30 L HA -0.225 4.115 4.340 0.000 0.000 0.209 30 L C 2.793 179.561 176.870 -0.171 0.000 1.083 30 L CA 1.532 56.300 54.840 -0.120 0.000 0.752 30 L CB -0.326 41.664 42.059 -0.115 0.000 0.899 30 L HN 0.251 nan 8.230 nan 0.000 0.433 31 A N -0.176 122.471 122.820 -0.288 0.000 1.845 31 A HA -0.224 4.096 4.320 0.000 0.000 0.215 31 A C 2.459 179.928 177.584 -0.191 0.000 1.195 31 A CA 1.851 53.663 52.037 -0.376 0.000 0.616 31 A CB -0.948 17.552 19.000 -0.834 0.000 0.832 31 A HN 0.511 nan 8.150 nan 0.000 0.443 32 A N -0.300 122.437 122.820 -0.138 0.000 1.908 32 A HA -0.216 4.104 4.320 0.000 0.000 0.218 32 A C 2.253 179.799 177.584 -0.064 0.000 1.181 32 A CA 1.769 53.763 52.037 -0.072 0.000 0.627 32 A CB -0.527 18.448 19.000 -0.043 0.000 0.818 32 A HN 0.570 nan 8.150 nan 0.000 0.445 33 R N -0.727 119.732 120.500 -0.068 0.000 2.096 33 R HA -0.038 4.302 4.340 0.000 0.000 0.235 33 R C 2.016 178.282 176.300 -0.057 0.000 1.127 33 R CA 1.534 57.600 56.100 -0.056 0.000 0.968 33 R CB -0.472 29.797 30.300 -0.052 0.000 0.861 33 R HN 0.588 nan 8.270 nan 0.000 0.440 34 I N 0.222 120.751 120.570 -0.069 0.000 2.202 34 I HA -0.269 3.901 4.170 0.000 0.000 0.242 34 I C 2.273 178.361 176.117 -0.050 0.000 1.091 34 I CA 0.941 62.205 61.300 -0.060 0.000 1.368 34 I CB -0.168 37.789 38.000 -0.072 0.000 1.058 34 I HN 0.100 nan 8.210 nan 0.000 0.410 35 I N 0.958 121.497 120.570 -0.052 0.000 2.361 35 I HA -0.252 3.918 4.170 0.000 0.000 0.251 35 I C 2.442 178.538 176.117 -0.034 0.000 1.133 35 I CA 1.515 62.793 61.300 -0.037 0.000 1.413 35 I CB -0.356 37.625 38.000 -0.031 0.000 1.073 35 I HN 0.148 nan 8.210 nan 0.000 0.424 36 A N -0.575 122.222 122.820 -0.039 0.000 1.929 36 A HA -0.152 4.168 4.320 0.000 0.000 0.216 36 A C 2.206 179.768 177.584 -0.038 0.000 1.176 36 A CA 1.403 53.417 52.037 -0.038 0.000 0.628 36 A CB -0.620 18.354 19.000 -0.043 0.000 0.816 36 A HN 0.499 nan 8.150 nan 0.000 0.444 37 E N -0.598 119.579 120.200 -0.039 0.000 2.204 37 E HA -0.100 4.251 4.350 0.000 0.000 0.194 37 E C 1.878 178.459 176.600 -0.032 0.000 0.989 37 E CA 1.406 57.784 56.400 -0.036 0.000 0.824 37 E CB -0.158 29.521 29.700 -0.036 0.000 0.756 37 E HN 0.621 nan 8.360 nan 0.000 0.477 38 T N 0.211 114.747 114.554 -0.031 0.000 2.701 38 T HA -0.112 4.238 4.350 0.000 0.000 0.263 38 T C 1.941 176.626 174.700 -0.025 0.000 1.040 38 T CA 0.977 63.061 62.100 -0.026 0.000 1.147 38 T CB -0.189 68.664 68.868 -0.024 0.000 0.865 38 T HN 0.054 nan 8.240 nan 0.000 0.426 39 V N 1.883 121.782 119.914 -0.026 0.000 3.129 39 V HA 0.067 4.187 4.120 0.000 0.000 0.259 39 V C 2.521 178.598 176.094 -0.029 0.000 1.116 39 V CA 1.021 63.306 62.300 -0.025 0.000 1.127 39 V CB -0.638 31.172 31.823 -0.023 0.000 0.742 39 V HN 0.347 nan 8.190 nan 0.000 0.474 40 R N 0.862 121.343 120.500 -0.032 0.000 2.117 40 R HA -0.194 4.146 4.340 0.000 0.000 0.243 40 R C 2.076 178.354 176.300 -0.036 0.000 1.143 40 R CA 2.315 58.393 56.100 -0.036 0.000 0.968 40 R CB -0.767 29.510 30.300 -0.038 0.000 0.863 40 R HN 0.707 nan 8.270 nan 0.000 0.444 41 T N -2.178 112.356 114.554 -0.033 0.000 3.098 41 T HA -0.078 4.273 4.350 0.000 0.000 0.266 41 T C 1.588 176.268 174.700 -0.033 0.000 1.145 41 T CA 1.298 63.379 62.100 -0.033 0.000 1.092 41 T CB -0.287 68.564 68.868 -0.028 0.000 0.908 41 T HN 0.474 nan 8.240 nan 0.000 0.526 42 T N -1.174 113.361 114.554 -0.032 0.000 3.060 42 T HA 0.338 4.688 4.350 0.000 0.000 0.249 42 T C 0.455 175.134 174.700 -0.035 0.000 1.079 42 T CA -0.637 61.446 62.100 -0.030 0.000 1.013 42 T CB -0.358 68.496 68.868 -0.024 0.000 0.975 42 T HN 0.294 nan 8.240 nan 0.000 0.518 43 L N 2.648 123.846 121.223 -0.041 0.000 2.410 43 L HA 0.557 4.897 4.340 0.000 0.000 0.273 43 L C 0.749 177.582 176.870 -0.062 0.000 1.152 43 L CA 1.612 56.423 54.840 -0.047 0.000 0.855 43 L CB -0.336 41.694 42.059 -0.048 0.000 1.129 43 L HN 0.686 nan 8.230 nan 0.000 0.463 44 G N 3.979 112.740 108.800 -0.065 0.000 2.746 44 G HA2 -0.169 3.791 3.960 0.000 0.000 0.685 44 G HA3 -0.169 3.791 3.960 0.000 0.000 0.685 44 G C -2.004 172.827 174.900 -0.115 0.000 1.350 44 G CA -0.465 44.577 45.100 -0.095 0.000 0.837 44 G HN 0.513 nan 8.290 nan 0.000 0.564 45 P HA -0.044 nan 4.420 nan 0.000 0.218 45 P C 1.151 178.323 177.300 -0.213 0.000 1.146 45 P CA 1.697 64.652 63.100 -0.241 0.000 0.820 45 P CB 0.033 31.317 31.700 -0.694 0.000 0.778 46 K N -0.801 119.456 120.400 -0.239 0.000 2.726 46 K HA 0.288 4.608 4.320 0.000 0.000 0.209 46 K C 0.700 177.255 176.600 -0.075 0.000 1.082 46 K CA -0.340 55.869 56.287 -0.129 0.000 1.081 46 K CB 0.728 33.133 32.500 -0.158 0.000 0.830 46 K HN 0.040 nan 8.250 nan 0.000 0.470 47 G N 0.943 109.704 108.800 -0.064 0.000 2.444 47 G HA2 0.312 4.272 3.960 0.000 0.000 0.268 47 G HA3 0.312 4.272 3.960 0.000 0.000 0.268 47 G C 0.018 174.902 174.900 -0.026 0.000 1.203 47 G CA -0.423 44.650 45.100 -0.045 0.000 0.835 47 G HN -0.041 nan 8.290 nan 0.000 0.543 48 M N 0.564 120.150 119.600 -0.023 0.000 2.527 48 M HA 0.428 4.908 4.480 0.000 0.000 0.283 48 M C -0.382 175.909 176.300 -0.016 0.000 1.188 48 M CA -0.708 54.582 55.300 -0.016 0.000 0.941 48 M CB 1.387 33.977 32.600 -0.016 0.000 1.498 48 M HN 0.377 nan 8.290 nan 0.000 0.510 49 D N 0.423 120.814 120.400 -0.015 0.000 2.340 49 D HA 0.528 5.168 4.640 0.000 0.000 0.243 49 D C -0.622 175.667 176.300 -0.019 0.000 0.988 49 D CA -0.430 53.560 54.000 -0.016 0.000 0.959 49 D CB 1.373 42.164 40.800 -0.014 0.000 1.226 49 D HN 0.255 nan 8.370 nan 0.000 0.509 50 K N 0.291 120.679 120.400 -0.020 0.000 2.318 50 K HA 0.525 4.845 4.320 0.000 0.000 0.249 50 K C -0.584 175.999 176.600 -0.027 0.000 0.942 50 K CA -0.786 55.488 56.287 -0.022 0.000 0.808 50 K CB 2.723 35.212 32.500 -0.018 0.000 1.189 50 K HN 0.302 nan 8.250 nan 0.000 0.428 51 M N 4.356 123.936 119.600 -0.033 0.000 2.114 51 M HA 0.334 4.814 4.480 0.000 0.000 0.332 51 M C -1.721 174.560 176.300 -0.031 0.000 1.014 51 M CA -0.688 54.585 55.300 -0.045 0.000 0.956 51 M CB 0.494 33.057 32.600 -0.062 0.000 1.551 51 M HN 0.493 nan 8.290 nan 0.000 0.427 52 L N 6.354 127.564 121.223 -0.022 0.000 2.298 52 L HA 0.582 4.922 4.340 0.000 0.000 0.284 52 L C -0.991 175.878 176.870 -0.003 0.000 1.013 52 L CA -0.996 53.838 54.840 -0.009 0.000 0.824 52 L CB 1.479 43.537 42.059 -0.002 0.000 1.221 52 L HN 0.413 nan 8.230 nan 0.000 0.418 53 V N 1.565 121.477 119.914 -0.004 0.000 2.357 53 V HA 0.221 4.341 4.120 0.000 0.000 0.284 53 V C -0.169 175.929 176.094 0.006 0.000 1.018 53 V CA -0.865 61.437 62.300 0.003 0.000 0.841 53 V CB 1.333 33.155 31.823 -0.002 0.000 0.991 53 V HN 0.797 nan 8.190 nan 0.000 0.437 54 D N 3.429 123.837 120.400 0.012 0.000 2.414 54 D HA 0.119 4.759 4.640 0.000 0.000 0.259 54 D C 1.494 177.800 176.300 0.009 0.000 1.269 54 D CA 0.101 54.107 54.000 0.010 0.000 1.028 54 D CB 0.545 41.352 40.800 0.012 0.000 1.093 54 D HN 0.426 nan 8.370 nan 0.000 0.545 55 S N -0.971 114.734 115.700 0.008 0.000 2.440 55 S HA -0.179 4.291 4.470 0.000 0.000 0.238 55 S C 1.357 175.962 174.600 0.008 0.000 1.010 55 S CA 0.648 58.852 58.200 0.007 0.000 0.972 55 S CB -0.537 62.666 63.200 0.006 0.000 0.774 55 S HN 0.426 nan 8.310 nan 0.000 0.501 56 L N 1.481 122.710 121.223 0.010 0.000 2.791 56 L HA 0.502 4.842 4.340 0.000 0.000 0.239 56 L C 1.633 178.512 176.870 0.014 0.000 1.203 56 L CA 0.415 55.261 54.840 0.011 0.000 1.002 56 L CB -0.605 41.461 42.059 0.011 0.000 1.295 56 L HN 0.406 nan 8.230 nan 0.000 0.504 57 G N -0.398 108.410 108.800 0.015 0.000 2.180 57 G HA2 -0.393 3.567 3.960 0.000 0.000 0.263 57 G HA3 -0.393 3.567 3.960 0.000 0.000 0.263 57 G C 0.271 175.188 174.900 0.029 0.000 0.989 57 G CA 0.649 45.760 45.100 0.018 0.000 0.692 57 G HN 0.481 nan 8.290 nan 0.000 0.526 58 D N -0.054 120.364 120.400 0.031 0.000 2.390 58 D HA 0.469 5.110 4.640 0.000 0.000 0.249 58 D C 0.679 177.015 176.300 0.060 0.000 1.144 58 D CA -0.208 53.819 54.000 0.046 0.000 0.880 58 D CB 0.289 41.109 40.800 0.034 0.000 1.182 58 D HN 0.281 nan 8.370 nan 0.000 0.451 59 I N 3.821 124.458 120.570 0.111 0.000 2.377 59 I HA 0.312 4.482 4.170 0.000 0.000 0.293 59 I C -0.659 175.557 176.117 0.166 0.000 0.987 59 I CA -0.962 60.398 61.300 0.101 0.000 1.185 59 I CB 1.802 39.819 38.000 0.029 0.000 1.341 59 I HN 0.132 nan 8.210 nan 0.000 0.455 60 V N 7.019 126.971 119.914 0.063 0.000 2.531 60 V HA 0.379 4.500 4.120 0.000 0.000 0.301 60 V C -0.321 175.780 176.094 0.011 0.000 1.034 60 V CA -0.681 61.664 62.300 0.074 0.000 0.865 60 V CB 2.083 33.935 31.823 0.049 0.000 0.995 60 V HN 0.382 nan 8.190 nan 0.000 0.424 61 V N 4.806 124.733 119.914 0.021 0.000 2.304 61 V HA 0.646 4.766 4.120 0.000 0.000 0.278 61 V C 0.254 176.352 176.094 0.006 0.000 1.018 61 V CA -0.150 62.138 62.300 -0.020 0.000 0.814 61 V CB 1.244 33.023 31.823 -0.073 0.000 1.021 61 V HN 1.084 nan 8.190 nan 0.000 0.440 62 T N -0.126 114.427 114.554 -0.002 0.000 2.804 62 T HA 0.429 4.779 4.350 0.000 0.000 0.290 62 T C 0.372 175.067 174.700 -0.008 0.000 1.099 62 T CA -0.598 61.501 62.100 -0.002 0.000 1.011 62 T CB 2.468 71.335 68.868 -0.001 0.000 1.291 62 T HN 0.355 nan 8.240 nan 0.000 0.523 63 N N -0.741 117.954 118.700 -0.009 0.000 2.193 63 N HA 0.025 4.765 4.740 0.000 0.000 0.210 63 N C -0.653 174.849 175.510 -0.013 0.000 1.215 63 N CA -0.040 53.003 53.050 -0.011 0.000 0.901 63 N CB 0.583 39.064 38.487 -0.009 0.000 1.060 63 N HN 0.700 nan 8.380 nan 0.000 0.508 64 D N 0.242 120.635 120.400 -0.012 0.000 2.382 64 D HA 0.181 4.822 4.640 0.000 0.000 0.259 64 D C 1.463 177.756 176.300 -0.011 0.000 1.224 64 D CA 0.258 54.251 54.000 -0.012 0.000 0.894 64 D CB 1.073 41.865 40.800 -0.012 0.000 1.127 64 D HN 0.292 nan 8.370 nan 0.000 0.487 65 G N 3.436 112.229 108.800 -0.013 0.000 2.446 65 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 65 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 65 G C 1.447 176.341 174.900 -0.009 0.000 1.168 65 G CA 0.928 46.020 45.100 -0.013 0.000 0.771 65 G HN 0.640 nan 8.290 nan 0.000 0.551 66 A N 0.124 122.940 122.820 -0.007 0.000 1.902 66 A HA -0.034 4.286 4.320 0.000 0.000 0.217 66 A C 2.542 180.124 177.584 -0.003 0.000 1.181 66 A CA 2.536 54.570 52.037 -0.004 0.000 0.623 66 A CB -1.013 17.986 19.000 -0.002 0.000 0.818 66 A HN 0.313 nan 8.150 nan 0.000 0.443 67 T N 0.399 114.950 114.554 -0.004 0.000 2.746 67 T HA -0.105 4.245 4.350 0.000 0.000 0.267 67 T C 1.806 176.505 174.700 -0.001 0.000 1.039 67 T CA 1.503 63.602 62.100 -0.002 0.000 1.142 67 T CB -0.431 68.435 68.868 -0.003 0.000 0.866 67 T HN 0.428 nan 8.240 nan 0.000 0.444 68 I N 0.829 121.397 120.570 -0.004 0.000 2.099 68 I HA -0.170 4.000 4.170 0.000 0.000 0.239 68 I C 2.330 178.445 176.117 -0.003 0.000 1.066 68 I CA 1.453 62.750 61.300 -0.004 0.000 1.324 68 I CB -0.488 37.507 38.000 -0.008 0.000 1.037 68 I HN 0.189 nan 8.210 nan 0.000 0.401 69 L N 0.314 121.535 121.223 -0.004 0.000 2.127 69 L HA -0.251 4.090 4.340 0.000 0.000 0.211 69 L C 2.135 179.006 176.870 0.002 0.000 1.089 69 L CA 1.546 56.385 54.840 -0.002 0.000 0.757 69 L CB -0.678 41.380 42.059 -0.003 0.000 0.899 69 L HN 0.349 nan 8.230 nan 0.000 0.434 70 D N -0.267 120.134 120.400 0.002 0.000 2.234 70 D HA -0.143 4.497 4.640 0.000 0.000 0.205 70 D C 2.127 178.430 176.300 0.005 0.000 0.962 70 D CA 0.941 54.944 54.000 0.004 0.000 0.855 70 D CB 0.296 41.098 40.800 0.004 0.000 0.951 70 D HN -0.012 nan 8.370 nan 0.000 0.500 71 K N -0.079 120.323 120.400 0.005 0.000 2.262 71 K HA 0.145 4.465 4.320 0.000 0.000 0.200 71 K C 0.677 177.280 176.600 0.005 0.000 1.049 71 K CA 0.014 56.305 56.287 0.006 0.000 0.979 71 K CB 0.329 32.834 32.500 0.007 0.000 0.773 71 K HN 0.295 nan 8.250 nan 0.000 0.474 72 I N 2.513 123.085 120.570 0.003 0.000 2.692 72 I HA -0.076 4.094 4.170 0.000 0.000 0.284 72 I C 0.414 176.534 176.117 0.005 0.000 1.159 72 I CA -0.144 61.157 61.300 0.003 0.000 1.423 72 I CB 0.272 38.273 38.000 0.001 0.000 1.380 72 I HN -0.077 nan 8.210 nan 0.000 0.580 73 D N 7.377 127.781 120.400 0.006 0.000 2.422 73 D HA 0.301 4.941 4.640 0.000 0.000 0.227 73 D C -0.575 175.731 176.300 0.010 0.000 1.190 73 D CA -0.134 53.871 54.000 0.008 0.000 0.905 73 D CB 0.200 41.004 40.800 0.007 0.000 1.034 73 D HN 0.262 nan 8.370 nan 0.000 0.507 74 L N 3.552 124.783 121.223 0.013 0.000 2.292 74 L HA 0.224 4.564 4.340 0.000 0.000 0.284 74 L C 1.490 178.374 176.870 0.024 0.000 1.065 74 L CA -0.669 54.184 54.840 0.021 0.000 0.806 74 L CB 1.645 43.718 42.059 0.024 0.000 1.175 74 L HN 0.229 nan 8.230 nan 0.000 0.431 75 Q N 0.475 120.295 119.800 0.034 0.000 2.226 75 Q HA 0.022 4.363 4.340 0.000 0.000 0.199 75 Q C 0.398 176.408 176.000 0.018 0.000 0.945 75 Q CA 0.729 56.546 55.803 0.023 0.000 0.861 75 Q CB -0.053 28.699 28.738 0.024 0.000 0.953 75 Q HN 0.559 nan 8.270 nan 0.000 0.490 76 H N 2.167 121.223 119.070 -0.023 0.000 2.886 76 H HA 0.012 4.568 4.556 0.000 0.000 0.329 76 H C -1.546 173.764 175.328 -0.030 0.000 1.044 76 H CA -1.147 54.880 56.048 -0.035 0.000 1.456 76 H CB 1.329 31.062 29.762 -0.048 0.000 1.464 76 H HN -0.101 nan 8.280 nan 0.000 0.573 77 P HA -0.205 nan 4.420 nan 0.000 0.215 77 P C 0.945 178.311 177.300 0.110 0.000 1.153 77 P CA 2.068 65.142 63.100 -0.043 0.000 0.853 77 P CB 0.104 31.724 31.700 -0.132 0.000 0.788 78 A N -0.054 122.972 122.820 0.343 0.000 1.902 78 A HA -0.141 4.180 4.320 0.000 0.000 0.217 78 A C 2.327 179.976 177.584 0.108 0.000 1.181 78 A CA 2.178 54.338 52.037 0.206 0.000 0.623 78 A CB -1.631 17.461 19.000 0.154 0.000 0.818 78 A HN 0.195 nan 8.150 nan 0.000 0.443 79 A N -0.122 122.775 122.820 0.128 0.000 1.877 79 A HA -0.174 4.146 4.320 0.000 0.000 0.216 79 A C 2.086 179.696 177.584 0.043 0.000 1.186 79 A CA 1.767 53.834 52.037 0.050 0.000 0.620 79 A CB -0.473 18.561 19.000 0.056 0.000 0.822 79 A HN 0.523 nan 8.150 nan 0.000 0.443 80 K N -0.938 119.494 120.400 0.054 0.000 2.211 80 K HA -0.082 4.239 4.320 0.000 0.000 0.204 80 K C 1.865 178.480 176.600 0.026 0.000 1.047 80 K CA 1.529 57.835 56.287 0.031 0.000 0.935 80 K CB -0.274 32.240 32.500 0.023 0.000 0.728 80 K HN 0.537 nan 8.250 nan 0.000 0.452 81 M N -0.191 119.429 119.600 0.032 0.000 2.419 81 M HA -0.035 4.445 4.480 0.000 0.000 0.264 81 M C 1.716 178.027 176.300 0.019 0.000 1.082 81 M CA 0.827 56.143 55.300 0.026 0.000 1.119 81 M CB 0.080 32.699 32.600 0.032 0.000 1.398 81 M HN 0.087 nan 8.290 nan 0.000 0.453 82 M N -0.577 119.032 119.600 0.014 0.000 2.349 82 M HA -0.038 4.443 4.480 0.000 0.000 0.266 82 M C 2.140 178.442 176.300 0.004 0.000 1.076 82 M CA 1.052 56.355 55.300 0.005 0.000 1.126 82 M CB -1.054 31.544 32.600 -0.003 0.000 1.392 82 M HN 0.104 nan 8.290 nan 0.000 0.440 83 V N 0.746 120.664 119.914 0.007 0.000 2.332 83 V HA -0.258 3.863 4.120 0.000 0.000 0.248 83 V C 2.154 178.252 176.094 0.006 0.000 1.055 83 V CA 1.774 64.078 62.300 0.006 0.000 1.038 83 V CB -1.057 30.771 31.823 0.008 0.000 0.651 83 V HN 0.487 nan 8.190 nan 0.000 0.450 84 E N 0.136 120.342 120.200 0.009 0.000 2.110 84 E HA -0.166 4.184 4.350 0.000 0.000 0.193 84 E C 2.251 178.856 176.600 0.009 0.000 0.988 84 E CA 1.437 57.843 56.400 0.010 0.000 0.804 84 E CB -0.271 29.438 29.700 0.013 0.000 0.745 84 E HN 0.505 nan 8.360 nan 0.000 0.458 85 V N 1.512 121.431 119.914 0.008 0.000 2.295 85 V HA -0.279 3.841 4.120 0.000 0.000 0.246 85 V C 2.384 178.478 176.094 0.001 0.000 1.049 85 V CA 1.921 64.224 62.300 0.005 0.000 1.024 85 V CB -0.765 31.059 31.823 0.000 0.000 0.648 85 V HN 0.327 nan 8.190 nan 0.000 0.447 86 A N 0.201 123.020 122.820 -0.001 0.000 1.902 86 A HA -0.253 4.067 4.320 0.000 0.000 0.217 86 A C 2.227 179.811 177.584 0.001 0.000 1.181 86 A CA 2.315 54.351 52.037 -0.003 0.000 0.623 86 A CB -0.487 18.511 19.000 -0.004 0.000 0.818 86 A HN 0.468 nan 8.150 nan 0.000 0.443 87 K N -0.232 120.171 120.400 0.004 0.000 2.025 87 K HA -0.056 4.264 4.320 0.000 0.000 0.207 87 K C 1.868 178.472 176.600 0.008 0.000 1.049 87 K CA 2.359 58.649 56.287 0.006 0.000 0.933 87 K CB -1.208 31.296 32.500 0.007 0.000 0.714 87 K HN 0.333 nan 8.250 nan 0.000 0.438 88 T N 0.793 115.352 114.554 0.009 0.000 2.833 88 T HA -0.135 4.215 4.350 0.000 0.000 0.269 88 T C 1.649 176.355 174.700 0.010 0.000 1.054 88 T CA 1.537 63.643 62.100 0.010 0.000 1.135 88 T CB -0.227 68.648 68.868 0.012 0.000 0.869 88 T HN 0.354 nan 8.240 nan 0.000 0.466 89 Q N 1.540 121.344 119.800 0.007 0.000 2.046 89 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 89 Q C 1.871 177.875 176.000 0.007 0.000 0.975 89 Q CA 1.959 57.765 55.803 0.006 0.000 0.836 89 Q CB -0.587 28.151 28.738 0.001 0.000 0.896 89 Q HN 0.503 nan 8.270 nan 0.000 0.428 90 D N -0.604 119.800 120.400 0.006 0.000 2.144 90 D HA -0.145 4.496 4.640 0.000 0.000 0.199 90 D C 1.445 177.753 176.300 0.012 0.000 0.984 90 D CA 1.274 55.279 54.000 0.008 0.000 0.834 90 D CB 0.114 40.918 40.800 0.006 0.000 0.955 90 D HN 0.255 nan 8.370 nan 0.000 0.465 91 K N -0.227 120.180 120.400 0.013 0.000 2.148 91 K HA -0.069 4.251 4.320 0.000 0.000 0.204 91 K C 1.905 178.514 176.600 0.016 0.000 1.050 91 K CA 0.877 57.173 56.287 0.015 0.000 0.942 91 K CB 0.130 32.638 32.500 0.014 0.000 0.724 91 K HN 0.219 nan 8.250 nan 0.000 0.446 92 E N -0.511 119.698 120.200 0.014 0.000 2.166 92 E HA 0.019 4.369 4.350 0.000 0.000 0.192 92 E C 1.370 177.980 176.600 0.015 0.000 0.967 92 E CA 0.750 57.159 56.400 0.015 0.000 0.840 92 E CB 0.589 30.297 29.700 0.014 0.000 0.795 92 E HN 0.242 nan 8.360 nan 0.000 0.470 93 A N -0.521 122.308 122.820 0.014 0.000 2.427 93 A HA 0.513 4.833 4.320 0.000 0.000 0.225 93 A C 1.480 179.072 177.584 0.014 0.000 1.257 93 A CA 1.027 53.072 52.037 0.013 0.000 0.985 93 A CB 0.607 19.613 19.000 0.011 0.000 1.136 93 A HN 0.245 nan 8.150 nan 0.000 0.538 94 G N 0.214 109.022 108.800 0.013 0.000 5.426 94 G HA2 -0.283 3.677 3.960 0.000 0.000 0.297 94 G HA3 -0.283 3.677 3.960 0.000 0.000 0.297 94 G C 0.011 174.915 174.900 0.006 0.000 1.422 94 G CA 0.406 45.513 45.100 0.013 0.000 0.938 94 G HN 0.475 nan 8.290 nan 0.000 0.754 95 D N 1.717 122.120 120.400 0.006 0.000 2.383 95 D HA 0.496 5.136 4.640 0.000 0.000 0.248 95 D C 1.319 177.618 176.300 -0.002 0.000 1.170 95 D CA 1.485 55.486 54.000 0.001 0.000 0.977 95 D CB 0.665 41.466 40.800 0.002 0.000 1.120 95 D HN 1.710 nan 8.370 nan 0.000 0.481 96 G N -0.287 108.508 108.800 -0.007 0.000 2.175 96 G HA2 -0.326 3.634 3.960 0.000 0.000 0.244 96 G HA3 -0.326 3.634 3.960 0.000 0.000 0.244 96 G C 1.140 176.033 174.900 -0.013 0.000 0.982 96 G CA 1.022 46.116 45.100 -0.011 0.000 0.641 96 G HN 0.570 nan 8.290 nan 0.000 0.527 97 T N -2.120 112.428 114.554 -0.011 0.000 2.708 97 T HA -0.112 4.239 4.350 0.000 0.000 0.266 97 T C 2.203 176.893 174.700 -0.017 0.000 1.037 97 T CA 2.593 64.686 62.100 -0.011 0.000 1.146 97 T CB -0.717 68.146 68.868 -0.008 0.000 0.865 97 T HN 0.300 nan 8.240 nan 0.000 0.435 98 T N 1.862 116.405 114.554 -0.020 0.000 2.737 98 T HA -0.072 4.278 4.350 0.000 0.000 0.265 98 T C 2.310 176.990 174.700 -0.032 0.000 1.038 98 T CA 1.768 63.853 62.100 -0.025 0.000 1.144 98 T CB -0.983 67.869 68.868 -0.026 0.000 0.866 98 T HN 0.520 nan 8.240 nan 0.000 0.434 99 T N 2.270 116.804 114.554 -0.033 0.000 2.665 99 T HA -0.150 4.200 4.350 0.000 0.000 0.268 99 T C 2.364 177.036 174.700 -0.047 0.000 1.035 99 T CA 1.373 63.448 62.100 -0.041 0.000 1.151 99 T CB -0.653 68.193 68.868 -0.036 0.000 0.862 99 T HN 0.443 nan 8.240 nan 0.000 0.438 100 A N 0.725 123.523 122.820 -0.037 0.000 1.908 100 A HA -0.073 4.247 4.320 0.000 0.000 0.218 100 A C 2.608 180.167 177.584 -0.042 0.000 1.181 100 A CA 1.546 53.561 52.037 -0.037 0.000 0.627 100 A CB -1.002 17.985 19.000 -0.021 0.000 0.818 100 A HN 0.376 nan 8.150 nan 0.000 0.445 101 V N -0.662 119.231 119.914 -0.035 0.000 2.453 101 V HA -0.173 3.947 4.120 0.000 0.000 0.247 101 V C 2.544 178.610 176.094 -0.046 0.000 1.048 101 V CA 1.738 64.017 62.300 -0.035 0.000 1.049 101 V CB -0.380 31.427 31.823 -0.027 0.000 0.672 101 V HN 0.370 nan 8.190 nan 0.000 0.457 102 V N -0.169 119.714 119.914 -0.051 0.000 2.427 102 V HA -0.221 3.899 4.120 0.000 0.000 0.248 102 V C 2.137 178.184 176.094 -0.079 0.000 1.051 102 V CA 1.975 64.239 62.300 -0.059 0.000 1.048 102 V CB -0.354 31.435 31.823 -0.057 0.000 0.666 102 V HN 0.433 nan 8.190 nan 0.000 0.456 103 I N 0.352 120.865 120.570 -0.095 0.000 2.163 103 I HA -0.214 3.956 4.170 0.000 0.000 0.240 103 I C 2.725 178.751 176.117 -0.152 0.000 1.081 103 I CA 1.435 62.649 61.300 -0.143 0.000 1.353 103 I CB -0.677 37.225 38.000 -0.162 0.000 1.054 103 I HN 0.289 nan 8.210 nan 0.000 0.407 104 A N 1.108 123.862 122.820 -0.110 0.000 1.917 104 A HA -0.203 4.117 4.320 0.000 0.000 0.219 104 A C 2.411 179.958 177.584 -0.061 0.000 1.182 104 A CA 2.207 54.196 52.037 -0.081 0.000 0.633 104 A CB -1.509 17.466 19.000 -0.042 0.000 0.819 104 A HN 0.495 nan 8.150 nan 0.000 0.448 105 G N -0.728 108.037 108.800 -0.058 0.000 2.421 105 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 105 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 105 G C 1.463 176.334 174.900 -0.049 0.000 1.171 105 G CA 1.302 46.374 45.100 -0.047 0.000 0.775 105 G HN 0.575 nan 8.290 nan 0.000 0.543 106 E N -0.081 120.076 120.200 -0.072 0.000 2.077 106 E HA -0.096 4.254 4.350 0.000 0.000 0.193 106 E C 2.384 178.943 176.600 -0.068 0.000 0.989 106 E CA 0.507 56.863 56.400 -0.074 0.000 0.800 106 E CB -0.432 29.207 29.700 -0.102 0.000 0.746 106 E HN 0.197 nan 8.360 nan 0.000 0.452 107 L N 0.183 121.334 121.223 -0.121 0.000 2.043 107 L HA -0.179 4.161 4.340 0.000 0.000 0.212 107 L C 2.208 179.149 176.870 0.118 0.000 1.075 107 L CA 1.631 56.401 54.840 -0.116 0.000 0.752 107 L CB -0.726 41.186 42.059 -0.245 0.000 0.891 107 L HN 0.291 nan 8.230 nan 0.000 0.432 108 L N -1.667 119.599 121.223 0.072 0.000 2.109 108 L HA -0.144 4.196 4.340 0.000 0.000 0.207 108 L C 2.670 179.571 176.870 0.052 0.000 1.086 108 L CA 0.884 55.773 54.840 0.083 0.000 0.760 108 L CB -0.444 41.637 42.059 0.037 0.000 0.910 108 L HN 0.221 nan 8.230 nan 0.000 0.437 109 R N 0.472 120.986 120.500 0.023 0.000 2.070 109 R HA -0.165 4.175 4.340 0.000 0.000 0.233 109 R C 2.217 178.536 176.300 0.032 0.000 1.137 109 R CA 1.328 57.434 56.100 0.011 0.000 0.945 109 R CB 0.029 30.325 30.300 -0.008 0.000 0.845 109 R HN 0.088 nan 8.270 nan 0.000 0.430 110 K N 0.215 120.647 120.400 0.054 0.000 2.209 110 K HA -0.091 4.229 4.320 0.000 0.000 0.204 110 K C 1.821 178.487 176.600 0.111 0.000 1.048 110 K CA 1.318 57.654 56.287 0.083 0.000 0.940 110 K CB -0.248 32.313 32.500 0.102 0.000 0.729 110 K HN 0.333 nan 8.250 nan 0.000 0.451 111 A N 0.968 123.865 122.820 0.129 0.000 1.970 111 A HA -0.117 4.203 4.320 0.000 0.000 0.216 111 A C 2.102 179.682 177.584 -0.007 0.000 1.170 111 A CA 1.192 53.251 52.037 0.037 0.000 0.645 111 A CB -0.248 18.751 19.000 -0.003 0.000 0.816 111 A HN 0.405 nan 8.150 nan 0.000 0.447 112 E N 0.232 120.436 120.200 0.006 0.000 2.268 112 E HA -0.188 4.162 4.350 0.000 0.000 0.195 112 E C 1.661 178.257 176.600 -0.007 0.000 0.995 112 E CA 1.058 57.453 56.400 -0.008 0.000 0.836 112 E CB -0.100 29.596 29.700 -0.007 0.000 0.763 112 E HN 0.732 nan 8.360 nan 0.000 0.491 113 E N 0.245 120.448 120.200 0.004 0.000 2.110 113 E HA -0.181 4.169 4.350 0.000 0.000 0.193 113 E C 2.140 178.740 176.600 -0.001 0.000 0.988 113 E CA 0.993 57.395 56.400 0.005 0.000 0.804 113 E CB -0.004 29.705 29.700 0.015 0.000 0.745 113 E HN 0.379 nan 8.360 nan 0.000 0.458 114 L N 0.528 121.748 121.223 -0.005 0.000 2.109 114 L HA -0.124 4.217 4.340 0.000 0.000 0.207 114 L C 2.407 179.262 176.870 -0.025 0.000 1.086 114 L CA 0.550 55.381 54.840 -0.015 0.000 0.760 114 L CB -0.256 41.786 42.059 -0.029 0.000 0.910 114 L HN 0.147 nan 8.230 nan 0.000 0.437 115 L N -0.531 120.672 121.223 -0.033 0.000 2.083 115 L HA -0.232 4.108 4.340 0.000 0.000 0.209 115 L C 2.180 179.032 176.870 -0.030 0.000 1.083 115 L CA 1.148 55.964 54.840 -0.040 0.000 0.752 115 L CB -0.512 41.521 42.059 -0.043 0.000 0.899 115 L HN 0.321 nan 8.230 nan 0.000 0.433 116 D N -0.373 120.015 120.400 -0.020 0.000 2.219 116 D HA -0.170 4.470 4.640 0.000 0.000 0.205 116 D C 2.016 178.309 176.300 -0.012 0.000 0.970 116 D CA 0.930 54.921 54.000 -0.014 0.000 0.851 116 D CB 0.162 40.956 40.800 -0.009 0.000 0.943 116 D HN 0.449 nan 8.370 nan 0.000 0.488 117 Q N -0.020 119.774 119.800 -0.011 0.000 2.472 117 Q HA -0.010 4.330 4.340 0.000 0.000 0.208 117 Q C -0.135 175.861 176.000 -0.007 0.000 0.958 117 Q CA 0.150 55.949 55.803 -0.007 0.000 0.932 117 Q CB 0.141 28.877 28.738 -0.004 0.000 1.007 117 Q HN 0.321 nan 8.270 nan 0.000 0.508 118 N N -0.391 118.300 118.700 -0.015 0.000 2.869 118 N HA -0.151 4.589 4.740 0.000 0.000 0.249 118 N C -1.004 174.501 175.510 -0.008 0.000 1.104 118 N CA -0.184 52.855 53.050 -0.017 0.000 0.760 118 N CB -1.133 37.349 38.487 -0.009 0.000 1.108 118 N HN 0.185 nan 8.380 nan 0.000 0.555 119 I N 1.813 122.378 120.570 -0.008 0.000 2.379 119 I HA -0.001 4.169 4.170 0.000 0.000 0.290 119 I C 1.238 177.369 176.117 0.023 0.000 1.063 119 I CA -0.255 61.052 61.300 0.012 0.000 1.351 119 I CB 0.225 38.224 38.000 -0.001 0.000 1.410 119 I HN 0.216 nan 8.210 nan 0.000 0.505 120 H N 10.282 129.335 119.070 -0.029 0.000 3.140 120 H HA -0.010 4.546 4.556 0.000 0.000 0.316 120 H C -1.544 173.759 175.328 -0.042 0.000 0.986 120 H CA -1.122 54.909 56.048 -0.029 0.000 1.397 120 H CB 1.147 30.896 29.762 -0.022 0.000 1.377 120 H HN 0.410 nan 8.280 nan 0.000 0.585 121 P HA -0.144 nan 4.420 nan 0.000 0.223 121 P C 1.544 178.943 177.300 0.164 0.000 1.144 121 P CA 0.927 64.047 63.100 0.035 0.000 0.783 121 P CB 0.312 31.973 31.700 -0.066 0.000 0.771 122 S N -0.744 115.234 115.700 0.464 0.000 2.368 122 S HA -0.076 4.394 4.470 0.000 0.000 0.224 122 S C 1.855 176.477 174.600 0.036 0.000 1.029 122 S CA 0.724 59.008 58.200 0.139 0.000 0.988 122 S CB -0.537 62.585 63.200 -0.130 0.000 0.838 122 S HN -0.098 nan 8.310 nan 0.000 0.462 123 I N 1.850 122.445 120.570 0.042 0.000 2.202 123 I HA -0.100 4.070 4.170 0.000 0.000 0.242 123 I C 2.168 178.265 176.117 -0.034 0.000 1.091 123 I CA 1.143 62.440 61.300 -0.004 0.000 1.368 123 I CB -1.435 36.568 38.000 0.004 0.000 1.058 123 I HN 0.335 nan 8.210 nan 0.000 0.410 124 I N 0.465 120.996 120.570 -0.065 0.000 2.208 124 I HA -0.306 3.865 4.170 0.000 0.000 0.245 124 I C 2.530 178.498 176.117 -0.247 0.000 1.097 124 I CA 1.555 62.732 61.300 -0.205 0.000 1.363 124 I CB -0.765 37.078 38.000 -0.261 0.000 1.051 124 I HN 0.202 nan 8.210 nan 0.000 0.413 125 T N 0.517 115.000 114.554 -0.117 0.000 2.746 125 T HA -0.190 4.160 4.350 0.000 0.000 0.267 125 T C 2.031 176.748 174.700 0.030 0.000 1.039 125 T CA 1.260 63.341 62.100 -0.032 0.000 1.142 125 T CB -0.115 68.760 68.868 0.011 0.000 0.866 125 T HN 0.236 nan 8.240 nan 0.000 0.444 126 K N 0.502 120.909 120.400 0.012 0.000 2.026 126 K HA -0.074 4.246 4.320 0.000 0.000 0.208 126 K C 2.511 179.134 176.600 0.038 0.000 1.048 126 K CA 1.491 57.791 56.287 0.021 0.000 0.929 126 K CB -0.747 31.753 32.500 -0.001 0.000 0.713 126 K HN 0.381 nan 8.250 nan 0.000 0.439 127 G N 0.068 108.887 108.800 0.031 0.000 2.440 127 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 127 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 127 G C 1.559 176.558 174.900 0.165 0.000 1.154 127 G CA 0.859 45.998 45.100 0.065 0.000 0.767 127 G HN 0.416 nan 8.290 nan 0.000 0.552 128 Y N 0.842 121.152 120.300 0.016 0.000 2.224 128 Y HA -0.096 4.455 4.550 0.000 0.000 0.289 128 Y C 3.237 179.063 175.900 -0.124 0.000 1.146 128 Y CA 0.308 58.422 58.100 0.024 0.000 1.182 128 Y CB 0.062 38.645 38.460 0.205 0.000 0.983 128 Y HN 0.322 nan 8.280 nan 0.000 0.524 129 A N 0.087 122.976 122.820 0.115 0.000 1.930 129 A HA -0.140 4.180 4.320 0.000 0.000 0.217 129 A C 2.139 179.700 177.584 -0.038 0.000 1.175 129 A CA 1.080 53.135 52.037 0.030 0.000 0.627 129 A CB -0.872 18.159 19.000 0.052 0.000 0.815 129 A HN 0.449 nan 8.150 nan 0.000 0.443 130 L N -0.791 120.427 121.223 -0.007 0.000 2.017 130 L HA -0.190 4.151 4.340 0.000 0.000 0.208 130 L C 3.128 180.001 176.870 0.005 0.000 1.073 130 L CA 1.107 55.977 54.840 0.051 0.000 0.745 130 L CB -0.551 41.570 42.059 0.102 0.000 0.894 130 L HN 0.430 nan 8.230 nan 0.000 0.432 131 A N -0.046 122.668 122.820 -0.177 0.000 1.908 131 A HA -0.201 4.119 4.320 0.000 0.000 0.218 131 A C 2.502 179.666 177.584 -0.701 0.000 1.181 131 A CA 1.875 53.626 52.037 -0.477 0.000 0.627 131 A CB -0.726 17.696 19.000 -0.963 0.000 0.818 131 A HN 0.424 nan 8.150 nan 0.000 0.445 132 A N -0.448 121.941 122.820 -0.719 0.000 1.855 132 A HA -0.135 4.186 4.320 0.000 0.000 0.215 132 A C 1.930 179.423 177.584 -0.152 0.000 1.191 132 A CA 1.875 53.707 52.037 -0.341 0.000 0.613 132 A CB -0.579 18.356 19.000 -0.108 0.000 0.829 132 A HN 0.526 nan 8.150 nan 0.000 0.442 133 E N -0.486 119.641 120.200 -0.121 0.000 2.085 133 E HA -0.214 4.136 4.350 0.000 0.000 0.194 133 E C 2.083 178.605 176.600 -0.130 0.000 0.994 133 E CA 1.655 58.004 56.400 -0.085 0.000 0.801 133 E CB -0.090 29.576 29.700 -0.055 0.000 0.743 133 E HN 0.471 nan 8.360 nan 0.000 0.453 134 K N 0.571 120.850 120.400 -0.202 0.000 2.097 134 K HA -0.076 4.244 4.320 0.000 0.000 0.206 134 K C 1.767 178.240 176.600 -0.210 0.000 1.049 134 K CA 1.447 57.540 56.287 -0.323 0.000 0.933 134 K CB -0.509 31.615 32.500 -0.626 0.000 0.717 134 K HN 0.133 nan 8.250 nan 0.000 0.442 135 A N 0.548 123.278 122.820 -0.149 0.000 1.902 135 A HA -0.194 4.126 4.320 0.000 0.000 0.217 135 A C 2.058 179.620 177.584 -0.038 0.000 1.181 135 A CA 1.565 53.569 52.037 -0.055 0.000 0.623 135 A CB -0.553 18.467 19.000 0.034 0.000 0.818 135 A HN 0.376 nan 8.150 nan 0.000 0.443 136 Q N -0.102 119.673 119.800 -0.041 0.000 2.084 136 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 136 Q C 1.908 177.886 176.000 -0.037 0.000 0.978 136 Q CA 1.841 57.628 55.803 -0.026 0.000 0.844 136 Q CB -0.458 28.267 28.738 -0.022 0.000 0.898 136 Q HN 0.830 nan 8.270 nan 0.000 0.426 137 E N 0.325 120.487 120.200 -0.064 0.000 2.031 137 E HA -0.142 4.208 4.350 0.000 0.000 0.193 137 E C 2.176 178.742 176.600 -0.056 0.000 0.994 137 E CA 0.911 57.271 56.400 -0.065 0.000 0.800 137 E CB -0.188 29.453 29.700 -0.099 0.000 0.752 137 E HN 0.309 nan 8.360 nan 0.000 0.447 138 I N 1.143 121.673 120.570 -0.068 0.000 2.208 138 I HA -0.313 3.857 4.170 0.000 0.000 0.245 138 I C 2.418 178.523 176.117 -0.019 0.000 1.097 138 I CA 1.083 62.356 61.300 -0.046 0.000 1.363 138 I CB -0.304 37.668 38.000 -0.047 0.000 1.051 138 I HN 0.141 nan 8.210 nan 0.000 0.413 139 L N 0.200 121.414 121.223 -0.014 0.000 2.017 139 L HA -0.235 4.105 4.340 0.000 0.000 0.208 139 L C 2.181 179.050 176.870 -0.002 0.000 1.073 139 L CA 1.329 56.168 54.840 -0.001 0.000 0.745 139 L CB -0.708 41.353 42.059 0.003 0.000 0.894 139 L HN 0.262 nan 8.230 nan 0.000 0.432 140 D N -0.418 119.977 120.400 -0.008 0.000 2.218 140 D HA -0.213 4.427 4.640 0.000 0.000 0.204 140 D C 1.997 178.294 176.300 -0.005 0.000 0.976 140 D CA 1.048 55.045 54.000 -0.006 0.000 0.853 140 D CB 0.079 40.873 40.800 -0.010 0.000 0.939 140 D HN 0.426 nan 8.370 nan 0.000 0.481 141 E N 0.494 120.689 120.200 -0.009 0.000 2.033 141 E HA -0.088 4.262 4.350 0.000 0.000 0.189 141 E C 2.368 178.969 176.600 0.002 0.000 0.979 141 E CA 0.378 56.775 56.400 -0.006 0.000 0.802 141 E CB 0.031 29.724 29.700 -0.012 0.000 0.763 141 E HN 0.359 nan 8.360 nan 0.000 0.449 142 I N -0.572 120.002 120.570 0.006 0.000 2.756 142 I HA 0.096 4.266 4.170 0.000 0.000 0.262 142 I C 1.012 177.138 176.117 0.015 0.000 1.225 142 I CA 0.218 61.527 61.300 0.015 0.000 1.472 142 I CB -0.466 37.550 38.000 0.027 0.000 1.094 142 I HN -0.101 nan 8.210 nan 0.000 0.454 143 A N 2.511 125.338 122.820 0.012 0.000 2.566 143 A HA 0.268 4.588 4.320 0.000 0.000 0.245 143 A C 0.194 177.786 177.584 0.012 0.000 1.056 143 A CA 0.122 52.167 52.037 0.013 0.000 0.757 143 A CB -0.455 18.551 19.000 0.010 0.000 0.979 143 A HN 0.467 nan 8.150 nan 0.000 0.508 144 I N 4.514 125.092 120.570 0.014 0.000 2.337 144 I HA 0.166 4.336 4.170 0.000 0.000 0.291 144 I C 0.271 176.396 176.117 0.014 0.000 1.046 144 I CA -0.540 60.768 61.300 0.013 0.000 1.324 144 I CB 0.423 38.431 38.000 0.013 0.000 1.409 144 I HN 0.598 nan 8.210 nan 0.000 0.494 145 R N 5.843 126.351 120.500 0.013 0.000 2.390 145 R HA 0.606 4.946 4.340 0.000 0.000 0.291 145 R C -0.388 175.923 176.300 0.018 0.000 1.070 145 R CA -0.537 55.573 56.100 0.016 0.000 1.014 145 R CB 1.436 31.744 30.300 0.014 0.000 1.007 145 R HN 0.444 nan 8.270 nan 0.000 0.466 146 V N 0.936 120.864 119.914 0.023 0.000 3.182 146 V HA 0.256 4.377 4.120 0.000 0.000 0.308 146 V C -1.295 174.820 176.094 0.036 0.000 1.240 146 V CA -0.990 61.325 62.300 0.025 0.000 1.063 146 V CB 2.900 34.737 31.823 0.022 0.000 1.076 146 V HN 0.771 nan 8.190 nan 0.000 0.446 147 D N 4.270 124.694 120.400 0.039 0.000 2.358 147 D HA 0.293 4.933 4.640 0.000 0.000 0.258 147 D C -1.935 174.408 176.300 0.072 0.000 1.223 147 D CA -1.066 52.969 54.000 0.059 0.000 0.886 147 D CB 1.386 42.219 40.800 0.056 0.000 1.120 147 D HN 0.321 nan 8.370 nan 0.000 0.482 148 P HA -0.199 nan 4.420 nan 0.000 0.218 148 P C 0.252 177.569 177.300 0.029 0.000 1.150 148 P CA 1.252 64.424 63.100 0.119 0.000 0.841 148 P CB 0.129 32.006 31.700 0.295 0.000 0.784 149 D N -3.199 117.243 120.400 0.070 0.000 2.369 149 D HA -0.006 4.635 4.640 0.000 0.000 0.211 149 D C 0.193 176.491 176.300 -0.004 0.000 1.077 149 D CA -0.232 53.752 54.000 -0.028 0.000 0.842 149 D CB -0.917 39.913 40.800 0.050 0.000 0.947 149 D HN 0.019 nan 8.370 nan 0.000 0.509 150 D N 1.668 122.079 120.400 0.018 0.000 2.376 150 D HA -0.096 4.544 4.640 0.000 0.000 0.278 150 D C 1.149 177.449 176.300 0.000 0.000 1.384 150 D CA 0.296 54.305 54.000 0.014 0.000 1.033 150 D CB 0.475 41.287 40.800 0.019 0.000 1.102 150 D HN 0.282 nan 8.370 nan 0.000 0.530 151 E N 2.735 122.933 120.200 -0.003 0.000 2.070 151 E HA -0.268 4.082 4.350 0.000 0.000 0.197 151 E C 1.344 177.943 176.600 -0.000 0.000 1.004 151 E CA 0.923 57.319 56.400 -0.007 0.000 0.805 151 E CB 0.184 29.882 29.700 -0.004 0.000 0.744 151 E HN 0.498 nan 8.360 nan 0.000 0.451 152 E N -0.172 120.030 120.200 0.004 0.000 2.068 152 E HA -0.248 4.102 4.350 0.000 0.000 0.207 152 E C 2.267 178.872 176.600 0.007 0.000 1.032 152 E CA 2.291 58.695 56.400 0.007 0.000 0.839 152 E CB -0.545 29.160 29.700 0.008 0.000 0.758 152 E HN 0.520 nan 8.360 nan 0.000 0.457 153 T N -0.947 113.612 114.554 0.008 0.000 2.904 153 T HA -0.107 4.243 4.350 0.000 0.000 0.267 153 T C 2.076 176.779 174.700 0.006 0.000 1.059 153 T CA 0.803 62.908 62.100 0.009 0.000 1.137 153 T CB -0.297 68.578 68.868 0.011 0.000 0.879 153 T HN -0.002 nan 8.240 nan 0.000 0.467 154 L N 1.009 122.233 121.223 0.000 0.000 2.042 154 L HA 0.119 4.459 4.340 0.000 0.000 0.210 154 L C 2.522 179.393 176.870 0.001 0.000 1.076 154 L CA 1.452 56.289 54.840 -0.005 0.000 0.749 154 L CB -0.987 41.060 42.059 -0.020 0.000 0.893 154 L HN 0.343 nan 8.230 nan 0.000 0.432 155 L N -1.425 119.801 121.223 0.004 0.000 2.141 155 L HA -0.211 4.129 4.340 0.000 0.000 0.209 155 L C 2.451 179.329 176.870 0.013 0.000 1.094 155 L CA 1.032 55.878 54.840 0.009 0.000 0.763 155 L CB -0.462 41.602 42.059 0.009 0.000 0.908 155 L HN 0.203 nan 8.230 nan 0.000 0.437 156 K N -0.128 120.280 120.400 0.013 0.000 2.057 156 K HA -0.119 4.201 4.320 0.000 0.000 0.206 156 K C 2.100 178.712 176.600 0.019 0.000 1.050 156 K CA 0.977 57.274 56.287 0.017 0.000 0.935 156 K CB 0.000 32.510 32.500 0.016 0.000 0.715 156 K HN 0.121 nan 8.250 nan 0.000 0.439 157 I N 1.288 121.868 120.570 0.015 0.000 2.127 157 I HA -0.258 3.912 4.170 0.000 0.000 0.241 157 I C 2.490 178.618 176.117 0.018 0.000 1.075 157 I CA 1.465 62.775 61.300 0.016 0.000 1.334 157 I CB -1.327 36.681 38.000 0.012 0.000 1.040 157 I HN 0.121 nan 8.210 nan 0.000 0.405 158 A N 0.757 123.588 122.820 0.018 0.000 1.877 158 A HA -0.132 4.188 4.320 0.000 0.000 0.216 158 A C 2.555 180.154 177.584 0.025 0.000 1.186 158 A CA 2.115 54.165 52.037 0.022 0.000 0.620 158 A CB -0.848 18.166 19.000 0.023 0.000 0.822 158 A HN 0.437 nan 8.150 nan 0.000 0.443 159 A N -0.300 122.535 122.820 0.025 0.000 1.933 159 A HA -0.101 4.219 4.320 0.000 0.000 0.218 159 A C 2.426 180.031 177.584 0.035 0.000 1.175 159 A CA 2.528 54.582 52.037 0.028 0.000 0.628 159 A CB -1.350 17.665 19.000 0.025 0.000 0.814 159 A HN 0.772 nan 8.150 nan 0.000 0.444 160 T N -3.222 111.352 114.554 0.034 0.000 2.904 160 T HA -0.104 4.246 4.350 0.000 0.000 0.267 160 T C 2.057 176.777 174.700 0.033 0.000 1.059 160 T CA 1.693 63.817 62.100 0.040 0.000 1.137 160 T CB -0.558 68.330 68.868 0.034 0.000 0.879 160 T HN 0.352 nan 8.240 nan 0.000 0.467 161 S N 1.171 116.887 115.700 0.025 0.000 2.359 161 S HA -0.038 4.433 4.470 0.000 0.000 0.224 161 S C 2.000 176.612 174.600 0.020 0.000 1.035 161 S CA 1.178 59.390 58.200 0.019 0.000 1.018 161 S CB -0.643 62.568 63.200 0.017 0.000 0.876 161 S HN 0.604 nan 8.310 nan 0.000 0.448 162 I N 0.989 121.574 120.570 0.024 0.000 2.353 162 I HA -0.056 4.114 4.170 0.000 0.000 0.248 162 I C 1.632 177.769 176.117 0.033 0.000 1.119 162 I CA 0.826 62.141 61.300 0.024 0.000 1.417 162 I CB -0.663 37.353 38.000 0.027 0.000 1.078 162 I HN 0.340 nan 8.210 nan 0.000 0.421 163 T N 0.179 114.763 114.554 0.050 0.000 2.937 163 T HA 0.203 4.553 4.350 0.000 0.000 0.316 163 T C 1.076 175.819 174.700 0.073 0.000 1.079 163 T CA 0.758 62.907 62.100 0.082 0.000 1.131 163 T CB 0.760 69.708 68.868 0.134 0.000 1.000 163 T HN 0.719 nan 8.240 nan 0.000 0.549 164 G N 2.725 111.581 108.800 0.093 0.000 2.141 164 G HA2 -0.173 3.787 3.960 0.000 0.000 0.242 164 G HA3 -0.173 3.787 3.960 0.000 0.000 0.242 164 G C -0.039 174.878 174.900 0.028 0.000 0.982 164 G CA 0.521 45.651 45.100 0.051 0.000 0.662 164 G HN 0.916 nan 8.290 nan 0.000 0.527 165 K N -1.177 119.241 120.400 0.030 0.000 2.433 165 K HA 0.506 4.826 4.320 0.000 0.000 0.252 165 K C 0.894 177.502 176.600 0.014 0.000 1.015 165 K CA -0.469 55.827 56.287 0.015 0.000 0.860 165 K CB 1.057 33.562 32.500 0.009 0.000 1.359 165 K HN 0.008 nan 8.250 nan 0.000 0.452 166 N N 1.014 119.720 118.700 0.010 0.000 2.137 166 N HA -0.205 4.535 4.740 0.000 0.000 0.190 166 N C 1.156 176.673 175.510 0.011 0.000 1.017 166 N CA 2.008 55.064 53.050 0.010 0.000 0.859 166 N CB -0.028 38.468 38.487 0.014 0.000 1.002 166 N HN 0.622 nan 8.380 nan 0.000 0.428 167 A N 0.214 123.046 122.820 0.021 0.000 2.238 167 A HA -0.008 4.312 4.320 0.000 0.000 0.208 167 A C 1.658 179.252 177.584 0.017 0.000 1.177 167 A CA 0.609 52.672 52.037 0.044 0.000 0.804 167 A CB -0.726 18.304 19.000 0.050 0.000 0.823 167 A HN 0.719 nan 8.150 nan 0.000 0.482 168 E N -0.070 120.125 120.200 -0.010 0.000 2.265 168 E HA -0.154 4.196 4.350 0.000 0.000 0.196 168 E C 1.503 178.046 176.600 -0.094 0.000 0.996 168 E CA 1.347 57.734 56.400 -0.021 0.000 0.832 168 E CB -0.492 29.213 29.700 0.008 0.000 0.756 168 E HN 0.409 nan 8.360 nan 0.000 0.491 169 S N 0.527 116.109 115.700 -0.197 0.000 2.420 169 S HA -0.160 4.310 4.470 0.000 0.000 0.237 169 S C 0.342 174.604 174.600 -0.564 0.000 1.023 169 S CA 1.554 59.504 58.200 -0.416 0.000 0.991 169 S CB -0.312 62.538 63.200 -0.583 0.000 0.792 169 S HN 0.570 nan 8.310 nan 0.000 0.488 170 H N -0.095 118.974 119.070 -0.002 0.000 2.591 170 H HA 0.253 4.809 4.556 0.000 0.000 0.241 170 H C 1.132 176.461 175.328 0.002 0.000 1.292 170 H CA -0.373 55.674 56.048 -0.001 0.000 1.022 170 H CB 0.225 29.989 29.762 0.003 0.000 1.875 170 H HN 0.315 nan 8.280 nan 0.000 0.570 171 K N 0.631 121.061 120.400 0.051 0.000 2.283 171 K HA -0.139 4.181 4.320 0.000 0.000 0.202 171 K C 1.480 178.108 176.600 0.045 0.000 1.048 171 K CA 1.393 57.706 56.287 0.044 0.000 0.948 171 K CB 0.450 32.963 32.500 0.021 0.000 0.742 171 K HN 0.422 nan 8.250 nan 0.000 0.458 172 E N 0.905 121.132 120.200 0.046 0.000 2.028 172 E HA -0.174 4.176 4.350 0.000 0.000 0.190 172 E C 2.061 178.687 176.600 0.044 0.000 0.984 172 E CA 0.818 57.241 56.400 0.038 0.000 0.800 172 E CB -0.049 29.669 29.700 0.031 0.000 0.758 172 E HN 0.306 nan 8.360 nan 0.000 0.448 173 L N 1.343 122.601 121.223 0.059 0.000 1.970 173 L HA -0.198 4.142 4.340 0.000 0.000 0.212 173 L C 2.228 179.127 176.870 0.047 0.000 1.071 173 L CA 1.740 56.609 54.840 0.048 0.000 0.751 173 L CB -0.810 41.275 42.059 0.043 0.000 0.889 173 L HN 0.232 nan 8.230 nan 0.000 0.432 174 L N -0.289 120.971 121.223 0.061 0.000 2.043 174 L HA -0.256 4.084 4.340 0.000 0.000 0.212 174 L C 2.714 179.614 176.870 0.051 0.000 1.075 174 L CA 1.440 56.314 54.840 0.057 0.000 0.752 174 L CB -1.123 40.973 42.059 0.061 0.000 0.891 174 L HN 0.485 nan 8.230 nan 0.000 0.432 175 A N -0.051 122.796 122.820 0.044 0.000 1.902 175 A HA -0.252 4.068 4.320 0.000 0.000 0.217 175 A C 2.419 180.022 177.584 0.032 0.000 1.181 175 A CA 1.925 53.984 52.037 0.036 0.000 0.623 175 A CB -0.464 18.554 19.000 0.030 0.000 0.818 175 A HN 0.342 nan 8.150 nan 0.000 0.443 176 K N -0.248 120.170 120.400 0.030 0.000 2.063 176 K HA -0.104 4.216 4.320 0.000 0.000 0.208 176 K C 1.852 178.468 176.600 0.026 0.000 1.048 176 K CA 1.465 57.766 56.287 0.024 0.000 0.928 176 K CB -0.303 32.211 32.500 0.023 0.000 0.713 176 K HN 0.515 nan 8.250 nan 0.000 0.442 177 L N 0.162 121.408 121.223 0.037 0.000 2.056 177 L HA -0.115 4.225 4.340 0.000 0.000 0.207 177 L C 2.667 179.568 176.870 0.050 0.000 1.078 177 L CA 1.098 55.965 54.840 0.045 0.000 0.749 177 L CB -0.602 41.494 42.059 0.062 0.000 0.901 177 L HN 0.250 nan 8.230 nan 0.000 0.433 178 A N 0.061 122.919 122.820 0.063 0.000 1.858 178 A HA -0.161 4.159 4.320 0.000 0.000 0.216 178 A C 2.341 179.944 177.584 0.031 0.000 1.190 178 A CA 1.912 53.990 52.037 0.069 0.000 0.617 178 A CB -0.968 18.077 19.000 0.074 0.000 0.827 178 A HN 0.160 nan 8.150 nan 0.000 0.443 179 V N -0.029 119.896 119.914 0.018 0.000 2.332 179 V HA -0.297 3.824 4.120 0.000 0.000 0.248 179 V C 2.507 178.591 176.094 -0.016 0.000 1.055 179 V CA 2.450 64.748 62.300 -0.004 0.000 1.038 179 V CB -0.783 31.037 31.823 -0.004 0.000 0.651 179 V HN 0.712 nan 8.190 nan 0.000 0.450 180 E N -0.155 120.042 120.200 -0.005 0.000 2.031 180 E HA -0.213 4.137 4.350 0.000 0.000 0.193 180 E C 2.322 178.910 176.600 -0.020 0.000 0.994 180 E CA 1.348 57.742 56.400 -0.010 0.000 0.800 180 E CB -0.286 29.415 29.700 0.002 0.000 0.752 180 E HN 0.569 nan 8.360 nan 0.000 0.447 181 A N 0.385 123.196 122.820 -0.015 0.000 1.865 181 A HA -0.184 4.137 4.320 0.000 0.000 0.217 181 A C 2.434 179.989 177.584 -0.049 0.000 1.191 181 A CA 1.683 53.699 52.037 -0.035 0.000 0.623 181 A CB -0.879 18.098 19.000 -0.039 0.000 0.826 181 A HN 0.217 nan 8.150 nan 0.000 0.444 182 V N -0.043 119.845 119.914 -0.042 0.000 2.343 182 V HA -0.281 3.840 4.120 0.000 0.000 0.247 182 V C 2.514 178.558 176.094 -0.083 0.000 1.051 182 V CA 2.425 64.692 62.300 -0.055 0.000 1.036 182 V CB -0.672 31.125 31.823 -0.043 0.000 0.654 182 V HN 0.564 nan 8.190 nan 0.000 0.451 183 K N -0.446 119.900 120.400 -0.090 0.000 2.032 183 K HA -0.286 4.034 4.320 0.000 0.000 0.209 183 K C 2.320 178.868 176.600 -0.087 0.000 1.048 183 K CA 2.002 58.214 56.287 -0.124 0.000 0.927 183 K CB -0.164 32.279 32.500 -0.096 0.000 0.712 183 K HN 0.396 nan 8.250 nan 0.000 0.441 184 Q N 0.601 120.370 119.800 -0.052 0.000 2.020 184 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 184 Q C 1.808 177.793 176.000 -0.024 0.000 0.982 184 Q CA 2.127 57.913 55.803 -0.029 0.000 0.838 184 Q CB -0.126 28.598 28.738 -0.024 0.000 0.899 184 Q HN 0.282 nan 8.270 nan 0.000 0.423 185 V N -1.674 118.218 119.914 -0.037 0.000 3.217 185 V HA 0.349 4.469 4.120 0.000 0.000 0.264 185 V C 0.942 177.027 176.094 -0.014 0.000 1.135 185 V CA 0.365 62.647 62.300 -0.029 0.000 1.142 185 V CB -1.476 30.318 31.823 -0.048 0.000 0.754 185 V HN 0.359 nan 8.190 nan 0.000 0.484 186 A N 0.894 123.698 122.820 -0.028 0.000 2.498 186 A HA 0.336 4.656 4.320 0.000 0.000 0.239 186 A C 0.286 177.927 177.584 0.095 0.000 1.068 186 A CA 0.074 52.106 52.037 -0.008 0.000 0.766 186 A CB -0.163 18.748 19.000 -0.149 0.000 1.003 186 A HN 0.695 nan 8.150 nan 0.000 0.497 187 E N 0.981 121.277 120.200 0.160 0.000 2.176 187 E HA 0.270 4.620 4.350 0.000 0.000 0.267 187 E C -0.788 175.954 176.600 0.237 0.000 0.893 187 E CA -0.586 55.918 56.400 0.173 0.000 0.761 187 E CB 1.805 31.554 29.700 0.083 0.000 1.133 187 E HN 0.585 nan 8.360 nan 0.000 0.409 188 K N 4.554 125.034 120.400 0.133 0.000 2.290 188 K HA 0.100 4.420 4.320 0.000 0.000 0.250 188 K C 1.006 177.530 176.600 -0.128 0.000 1.092 188 K CA -0.160 56.007 56.287 -0.200 0.000 1.006 188 K CB 0.282 32.460 32.500 -0.537 0.000 1.549 188 K HN 0.445 nan 8.250 nan 0.000 0.436 189 K N 1.686 122.038 120.400 -0.080 0.000 1.973 189 K HA -0.143 4.177 4.320 0.000 0.000 0.212 189 K C -0.229 176.325 176.600 -0.075 0.000 1.047 189 K CA 1.456 57.711 56.287 -0.055 0.000 0.937 189 K CB -0.147 32.334 32.500 -0.031 0.000 0.721 189 K HN 0.426 nan 8.250 nan 0.000 0.440 190 D N -1.107 119.238 120.400 -0.093 0.000 2.364 190 D HA 0.242 4.882 4.640 0.000 0.000 0.251 190 D C 0.426 176.659 176.300 -0.112 0.000 1.282 190 D CA -0.290 53.658 54.000 -0.087 0.000 0.927 190 D CB 0.848 41.616 40.800 -0.054 0.000 1.267 190 D HN 0.466 nan 8.370 nan 0.000 0.531 191 G N 1.670 110.376 108.800 -0.157 0.000 2.216 191 G HA2 -0.317 3.643 3.960 0.000 0.000 0.269 191 G HA3 -0.317 3.643 3.960 0.000 0.000 0.269 191 G C 0.091 174.874 174.900 -0.194 0.000 0.981 191 G CA 0.534 45.534 45.100 -0.168 0.000 0.658 191 G HN 0.543 nan 8.290 nan 0.000 0.539 192 K N -0.435 119.842 120.400 -0.204 0.000 2.345 192 K HA 0.527 4.847 4.320 0.000 0.000 0.255 192 K C -0.834 175.660 176.600 -0.177 0.000 0.934 192 K CA -0.821 55.383 56.287 -0.139 0.000 0.801 192 K CB 1.553 34.020 32.500 -0.055 0.000 1.137 192 K HN 0.213 nan 8.250 nan 0.000 0.424 193 Y N 0.397 120.699 120.300 0.002 0.000 2.334 193 Y HA 0.416 4.966 4.550 0.000 0.000 0.328 193 Y C 0.313 176.214 175.900 0.002 0.000 1.130 193 Y CA -0.734 57.367 58.100 0.002 0.000 1.163 193 Y CB 1.959 40.420 38.460 0.003 0.000 1.207 193 Y HN 0.226 nan 8.280 nan 0.000 0.471 194 V N 4.495 124.534 119.914 0.208 0.000 2.841 194 V HA 0.744 4.864 4.120 0.000 0.000 0.310 194 V C -1.810 174.337 176.094 0.089 0.000 1.090 194 V CA -0.567 61.798 62.300 0.109 0.000 0.930 194 V CB 1.996 33.858 31.823 0.066 0.000 1.014 194 V HN 0.482 nan 8.190 nan 0.000 0.425 195 V N 5.171 125.115 119.914 0.050 0.000 2.638 195 V HA 0.512 4.632 4.120 0.000 0.000 0.306 195 V C -0.967 175.134 176.094 0.011 0.000 1.052 195 V CA -0.544 61.770 62.300 0.023 0.000 0.885 195 V CB 1.926 33.750 31.823 0.001 0.000 0.999 195 V HN 0.943 nan 8.190 nan 0.000 0.424 196 D N 4.103 124.504 120.400 0.001 0.000 2.443 196 D HA 0.315 4.955 4.640 0.000 0.000 0.221 196 D C 1.043 177.330 176.300 -0.021 0.000 1.097 196 D CA -0.269 53.727 54.000 -0.006 0.000 0.865 196 D CB 1.457 42.252 40.800 -0.008 0.000 1.034 196 D HN 0.484 nan 8.370 nan 0.000 0.511 197 L N 2.321 123.535 121.223 -0.015 0.000 2.551 197 L HA -0.124 4.216 4.340 0.000 0.000 0.230 197 L C 1.389 178.228 176.870 -0.051 0.000 1.163 197 L CA 0.628 55.452 54.840 -0.026 0.000 0.826 197 L CB -0.047 42.018 42.059 0.011 0.000 0.943 197 L HN 0.320 nan 8.230 nan 0.000 0.452 198 D N -0.007 120.368 120.400 -0.042 0.000 2.317 198 D HA -0.083 4.557 4.640 0.000 0.000 0.211 198 D C 1.478 177.729 176.300 -0.081 0.000 0.966 198 D CA 0.627 54.596 54.000 -0.053 0.000 0.876 198 D CB 0.035 40.815 40.800 -0.033 0.000 0.927 198 D HN 0.393 nan 8.370 nan 0.000 0.519 199 N N 0.364 119.015 118.700 -0.081 0.000 2.461 199 N HA 0.042 4.782 4.740 0.000 0.000 0.188 199 N C 0.298 175.726 175.510 -0.136 0.000 1.134 199 N CA 0.216 53.212 53.050 -0.091 0.000 0.878 199 N CB 1.166 39.614 38.487 -0.064 0.000 0.972 199 N HN 0.272 nan 8.380 nan 0.000 0.456 200 I N 1.276 121.731 120.570 -0.191 0.000 2.359 200 I HA 0.150 4.320 4.170 0.000 0.000 0.284 200 I C 0.207 176.038 176.117 -0.477 0.000 1.018 200 I CA -0.593 60.518 61.300 -0.315 0.000 1.173 200 I CB 1.400 39.193 38.000 -0.345 0.000 1.326 200 I HN -0.241 nan 8.210 nan 0.000 0.462 201 K N 6.493 126.648 120.400 -0.408 0.000 2.118 201 K HA 0.505 4.825 4.320 0.000 0.000 0.267 201 K C -1.381 174.940 176.600 -0.465 0.000 0.991 201 K CA -0.296 55.774 56.287 -0.362 0.000 0.916 201 K CB 0.980 33.360 32.500 -0.200 0.000 1.041 201 K HN 0.341 nan 8.250 nan 0.000 0.455 202 F N 2.708 122.635 119.950 -0.039 0.000 2.427 202 F HA 0.257 4.785 4.527 0.000 0.000 0.348 202 F C 0.238 176.013 175.800 -0.042 0.000 1.125 202 F CA -0.845 57.135 58.000 -0.033 0.000 0.989 202 F CB 1.663 40.650 39.000 -0.023 0.000 1.165 202 F HN 0.342 nan 8.300 nan 0.000 0.442 203 E N 4.177 124.462 120.200 0.142 0.000 2.176 203 E HA 0.369 4.719 4.350 0.000 0.000 0.267 203 E C -0.938 175.696 176.600 0.058 0.000 0.893 203 E CA -0.703 55.727 56.400 0.051 0.000 0.761 203 E CB 2.221 31.904 29.700 -0.029 0.000 1.133 203 E HN 0.573 nan 8.360 nan 0.000 0.409 204 K N 2.358 122.779 120.400 0.034 0.000 2.259 204 K HA 0.532 4.852 4.320 0.000 0.000 0.252 204 K C -0.415 176.194 176.600 0.015 0.000 0.936 204 K CA -0.983 55.317 56.287 0.022 0.000 0.810 204 K CB 1.717 34.220 32.500 0.005 0.000 1.143 204 K HN -0.006 nan 8.250 nan 0.000 0.427 205 K N 1.562 121.974 120.400 0.019 0.000 2.651 205 K HA 0.288 4.608 4.320 0.000 0.000 0.259 205 K C -1.085 175.525 176.600 0.017 0.000 1.017 205 K CA -0.508 55.792 56.287 0.021 0.000 0.897 205 K CB 1.929 34.454 32.500 0.041 0.000 1.262 205 K HN 0.858 nan 8.250 nan 0.000 0.460 206 A N 1.274 124.099 122.820 0.008 0.000 2.520 206 A HA 0.600 4.920 4.320 0.000 0.000 0.235 206 A C 0.635 178.227 177.584 0.013 0.000 1.065 206 A CA 1.260 53.301 52.037 0.007 0.000 0.764 206 A CB 0.019 19.019 19.000 0.000 0.000 1.002 206 A HN 0.905 nan 8.150 nan 0.000 0.502 207 G N 0.899 109.707 108.800 0.012 0.000 2.379 207 G HA2 0.471 4.431 3.960 0.000 0.000 0.609 207 G HA3 0.471 4.431 3.960 0.000 0.000 0.609 207 G C -0.555 174.350 174.900 0.008 0.000 1.484 207 G CA -0.126 44.981 45.100 0.012 0.000 0.921 207 G HN 1.474 nan 8.290 nan 0.000 0.658 208 E N -1.669 118.534 120.200 0.005 0.000 4.619 208 E HA -0.142 4.208 4.350 0.000 0.000 0.199 208 E C 0.925 177.522 176.600 -0.006 0.000 1.490 208 E CA 1.439 57.837 56.400 -0.003 0.000 2.467 208 E CB -1.263 28.431 29.700 -0.009 0.000 2.095 208 E HN 1.898 nan 8.360 nan 0.000 0.456 209 G N -1.139 107.648 108.800 -0.022 0.000 2.705 209 G HA2 0.455 4.415 3.960 0.000 0.000 0.299 209 G HA3 0.455 4.415 3.960 0.000 0.000 0.299 209 G C 0.846 175.699 174.900 -0.079 0.000 1.315 209 G CA -0.049 45.033 45.100 -0.031 0.000 1.045 209 G HN 0.255 nan 8.290 nan 0.000 0.517 210 V N 0.282 120.127 119.914 -0.114 0.000 2.913 210 V HA -0.070 4.050 4.120 0.000 0.000 0.260 210 V C 2.578 178.466 176.094 -0.343 0.000 1.098 210 V CA 1.463 63.662 62.300 -0.169 0.000 1.121 210 V CB -0.261 31.529 31.823 -0.055 0.000 0.714 210 V HN 0.592 nan 8.190 nan 0.000 0.487 211 E N 0.281 120.194 120.200 -0.478 0.000 2.268 211 E HA -0.172 4.178 4.350 0.000 0.000 0.195 211 E C 1.933 178.436 176.600 -0.163 0.000 0.995 211 E CA 0.712 56.881 56.400 -0.384 0.000 0.836 211 E CB 0.016 29.539 29.700 -0.295 0.000 0.763 211 E HN 0.606 nan 8.360 nan 0.000 0.491 212 E N 0.143 120.277 120.200 -0.110 0.000 2.502 212 E HA 0.059 4.409 4.350 0.000 0.000 0.194 212 E C 0.116 176.701 176.600 -0.025 0.000 1.062 212 E CA -0.037 56.332 56.400 -0.051 0.000 0.867 212 E CB 0.150 29.831 29.700 -0.033 0.000 0.888 212 E HN -0.067 nan 8.360 nan 0.000 0.510 213 S N 1.492 117.171 115.700 -0.035 0.000 2.573 213 S HA 0.170 4.640 4.470 0.000 0.000 0.277 213 S C 0.341 174.953 174.600 0.019 0.000 1.346 213 S CA -0.056 58.147 58.200 0.004 0.000 1.034 213 S CB 0.415 63.615 63.200 -0.001 0.000 0.879 213 S HN 0.309 nan 8.310 nan 0.000 0.528 214 E N 0.267 120.495 120.200 0.047 0.000 2.445 214 E HA 0.591 4.941 4.350 0.000 0.000 0.279 214 E C -1.719 174.918 176.600 0.061 0.000 1.018 214 E CA -1.054 55.376 56.400 0.049 0.000 0.816 214 E CB 0.763 30.493 29.700 0.050 0.000 1.356 214 E HN 0.318 nan 8.360 nan 0.000 0.462 215 L N 1.491 122.743 121.223 0.049 0.000 2.287 215 L HA 0.441 4.781 4.340 0.000 0.000 0.287 215 L C -1.412 175.483 176.870 0.041 0.000 1.022 215 L CA -0.644 54.219 54.840 0.039 0.000 0.814 215 L CB 1.635 43.710 42.059 0.026 0.000 1.217 215 L HN 0.511 nan 8.230 nan 0.000 0.420 216 V N 6.324 126.260 119.914 0.037 0.000 2.333 216 V HA 0.390 4.511 4.120 0.000 0.000 0.274 216 V C 0.695 176.798 176.094 0.016 0.000 1.028 216 V CA -0.567 61.763 62.300 0.050 0.000 0.851 216 V CB 0.845 32.714 31.823 0.076 0.000 1.000 216 V HN 0.634 nan 8.190 nan 0.000 0.456 217 R N 4.223 124.736 120.500 0.021 0.000 4.113 217 R HA 0.445 4.785 4.340 0.000 0.000 0.179 217 R C 0.796 177.100 176.300 0.005 0.000 1.781 217 R CA 0.340 56.446 56.100 0.009 0.000 1.402 217 R CB -0.054 30.258 30.300 0.019 0.000 1.375 217 R HN 0.950 nan 8.270 nan 0.000 0.786 218 G N -0.751 108.040 108.800 -0.015 0.000 2.441 218 G HA2 0.205 4.165 3.960 0.000 0.000 0.225 218 G HA3 0.205 4.165 3.960 0.000 0.000 0.225 218 G C -1.536 173.322 174.900 -0.070 0.000 1.200 218 G CA -0.575 44.506 45.100 -0.032 0.000 0.947 218 G HN 0.074 nan 8.290 nan 0.000 0.484 219 V N -0.065 119.791 119.914 -0.097 0.000 2.876 219 V HA 0.718 4.838 4.120 0.000 0.000 0.312 219 V C -0.423 175.549 176.094 -0.204 0.000 1.085 219 V CA -0.728 61.478 62.300 -0.157 0.000 0.945 219 V CB 1.788 33.487 31.823 -0.206 0.000 1.017 219 V HN 0.720 nan 8.190 nan 0.000 0.428 220 V N 5.014 124.765 119.914 -0.272 0.000 2.448 220 V HA 0.583 4.703 4.120 0.000 0.000 0.295 220 V C -0.402 175.500 176.094 -0.320 0.000 1.025 220 V CA -0.352 61.673 62.300 -0.458 0.000 0.859 220 V CB 1.615 33.097 31.823 -0.568 0.000 0.988 220 V HN 0.675 nan 8.190 nan 0.000 0.431 221 I N 2.776 123.176 120.570 -0.283 0.000 2.545 221 I HA 0.358 4.529 4.170 0.000 0.000 0.292 221 I C -0.513 175.537 176.117 -0.112 0.000 1.040 221 I CA -0.549 60.653 61.300 -0.163 0.000 1.068 221 I CB 2.262 40.194 38.000 -0.113 0.000 1.251 221 I HN 0.524 nan 8.210 nan 0.000 0.424 222 D N 6.562 126.915 120.400 -0.077 0.000 2.608 222 D HA 0.185 4.825 4.640 0.000 0.000 0.224 222 D C -0.417 175.879 176.300 -0.006 0.000 1.123 222 D CA 0.414 54.391 54.000 -0.039 0.000 1.030 222 D CB 0.180 40.960 40.800 -0.033 0.000 1.093 222 D HN 0.237 nan 8.370 nan 0.000 0.497 223 K N 1.011 121.419 120.400 0.014 0.000 2.466 223 K HA 0.467 4.788 4.320 0.000 0.000 0.277 223 K C -0.493 176.139 176.600 0.053 0.000 1.039 223 K CA -0.703 55.608 56.287 0.040 0.000 0.904 223 K CB 1.665 34.205 32.500 0.068 0.000 1.506 223 K HN 0.194 nan 8.250 nan 0.000 0.441 224 E N 0.212 120.444 120.200 0.053 0.000 2.359 224 E HA 0.368 4.719 4.350 0.000 0.000 0.266 224 E C -0.827 175.799 176.600 0.044 0.000 0.920 224 E CA -1.114 55.315 56.400 0.049 0.000 0.788 224 E CB 2.278 31.998 29.700 0.033 0.000 1.279 224 E HN 0.072 nan 8.360 nan 0.000 0.438 225 V N 2.364 122.299 119.914 0.035 0.000 2.479 225 V HA -0.072 4.048 4.120 0.000 0.000 0.281 225 V C 1.359 177.470 176.094 0.028 0.000 1.031 225 V CA 0.401 62.713 62.300 0.019 0.000 1.038 225 V CB 1.045 32.878 31.823 0.016 0.000 0.981 225 V HN 0.649 nan 8.190 nan 0.000 0.478 226 V N 4.841 124.774 119.914 0.031 0.000 2.324 226 V HA -0.201 3.919 4.120 0.000 0.000 0.250 226 V C 0.935 177.072 176.094 0.071 0.000 1.060 226 V CA 2.131 64.460 62.300 0.047 0.000 1.042 226 V CB -0.380 31.475 31.823 0.053 0.000 0.650 226 V HN 1.008 nan 8.190 nan 0.000 0.450 227 H N -1.267 117.795 119.070 -0.013 0.000 2.492 227 H HA 0.407 4.963 4.556 0.000 0.000 0.345 227 H C -1.803 173.515 175.328 -0.017 0.000 1.136 227 H CA -1.844 54.196 56.048 -0.014 0.000 1.202 227 H CB 2.208 31.957 29.762 -0.021 0.000 1.524 227 H HN -0.039 nan 8.280 nan 0.000 0.506 228 P HA -0.133 nan 4.420 nan 0.000 0.216 228 P C 1.102 178.457 177.300 0.092 0.000 1.153 228 P CA 1.103 64.172 63.100 -0.051 0.000 0.848 228 P CB 0.236 31.844 31.700 -0.153 0.000 0.787 229 R N -0.847 119.827 120.500 0.290 0.000 2.328 229 R HA 0.126 4.466 4.340 0.000 0.000 0.200 229 R C 0.417 176.773 176.300 0.094 0.000 0.983 229 R CA 0.105 56.307 56.100 0.170 0.000 1.062 229 R CB -0.500 29.885 30.300 0.141 0.000 0.956 229 R HN 0.274 nan 8.270 nan 0.000 0.479 230 M N 1.073 120.742 119.600 0.115 0.000 2.288 230 M HA 0.285 4.765 4.480 0.000 0.000 0.334 230 M C -2.093 174.220 176.300 0.021 0.000 1.150 230 M CA -1.956 53.367 55.300 0.038 0.000 1.118 230 M CB 1.124 33.749 32.600 0.042 0.000 1.501 230 M HN -0.224 nan 8.290 nan 0.000 0.462 231 P HA 0.005 nan 4.420 nan 0.000 0.265 231 P C -0.266 177.034 177.300 0.001 0.000 1.193 231 P CA 0.067 63.166 63.100 -0.001 0.000 0.765 231 P CB 0.487 32.181 31.700 -0.009 0.000 0.823 232 K N 1.903 122.307 120.400 0.006 0.000 2.379 232 K HA 0.102 4.423 4.320 0.000 0.000 0.194 232 K C 0.691 177.298 176.600 0.013 0.000 1.031 232 K CA 0.499 56.793 56.287 0.012 0.000 1.037 232 K CB 0.523 33.031 32.500 0.013 0.000 0.824 232 K HN 0.427 nan 8.250 nan 0.000 0.516 233 R N 0.322 120.825 120.500 0.005 0.000 2.548 233 R HA 0.318 4.658 4.340 0.000 0.000 0.280 233 R C -1.802 174.497 176.300 -0.003 0.000 1.061 233 R CA -0.297 55.805 56.100 0.004 0.000 0.915 233 R CB 1.726 32.025 30.300 -0.001 0.000 1.210 233 R HN -0.241 nan 8.270 nan 0.000 0.442 234 V N 4.552 124.463 119.914 -0.005 0.000 2.483 234 V HA 0.229 4.349 4.120 0.000 0.000 0.297 234 V C 0.642 176.728 176.094 -0.013 0.000 1.027 234 V CA -0.764 61.529 62.300 -0.011 0.000 0.855 234 V CB 1.645 33.454 31.823 -0.022 0.000 0.995 234 V HN 0.820 nan 8.190 nan 0.000 0.424 235 E N 2.718 122.916 120.200 -0.004 0.000 1.977 235 E HA -0.061 4.289 4.350 0.000 0.000 0.201 235 E C 0.530 177.127 176.600 -0.006 0.000 0.976 235 E CA 1.064 57.465 56.400 0.002 0.000 0.868 235 E CB -0.071 29.641 29.700 0.020 0.000 0.816 235 E HN 0.625 nan 8.360 nan 0.000 0.522 236 N N 1.636 120.359 118.700 0.039 0.000 3.303 236 N HA 0.229 4.969 4.740 0.000 0.000 0.304 236 N C -0.648 174.890 175.510 0.047 0.000 1.302 236 N CA 0.011 53.118 53.050 0.095 0.000 1.213 236 N CB 0.275 38.908 38.487 0.244 0.000 1.481 236 N HN 0.132 nan 8.380 nan 0.000 0.546 237 A N 1.487 124.258 122.820 -0.080 0.000 2.584 237 A HA -0.068 4.252 4.320 0.000 0.000 0.239 237 A C 0.475 178.047 177.584 -0.020 0.000 1.043 237 A CA 0.492 52.491 52.037 -0.063 0.000 0.756 237 A CB 0.206 19.154 19.000 -0.086 0.000 0.963 237 A HN 0.337 nan 8.150 nan 0.000 0.511 238 K N 2.870 123.287 120.400 0.028 0.000 2.414 238 K HA 0.374 4.694 4.320 0.000 0.000 0.251 238 K C -1.230 175.389 176.600 0.032 0.000 1.037 238 K CA -0.319 56.006 56.287 0.062 0.000 0.980 238 K CB 0.936 33.469 32.500 0.054 0.000 1.280 238 K HN 0.563 nan 8.250 nan 0.000 0.451 239 I N 2.397 122.999 120.570 0.054 0.000 2.529 239 I HA 0.093 4.264 4.170 0.000 0.000 0.284 239 I C 0.310 176.474 176.117 0.078 0.000 1.082 239 I CA 0.220 61.569 61.300 0.081 0.000 1.406 239 I CB 1.271 39.366 38.000 0.158 0.000 1.405 239 I HN 0.545 nan 8.210 nan 0.000 0.548 240 A N 7.037 129.897 122.820 0.067 0.000 2.331 240 A HA 0.792 5.112 4.320 0.000 0.000 0.320 240 A C -1.170 176.480 177.584 0.111 0.000 1.138 240 A CA -0.496 51.574 52.037 0.056 0.000 0.790 240 A CB 0.689 19.692 19.000 0.004 0.000 1.206 240 A HN 0.461 nan 8.150 nan 0.000 0.470 241 L N 4.378 125.662 121.223 0.102 0.000 2.301 241 L HA 0.432 4.772 4.340 0.000 0.000 0.278 241 L C -0.561 176.356 176.870 0.078 0.000 1.022 241 L CA -0.259 54.650 54.840 0.115 0.000 0.854 241 L CB 0.822 42.933 42.059 0.087 0.000 1.226 241 L HN 0.502 nan 8.230 nan 0.000 0.429 242 I N 2.550 123.168 120.570 0.080 0.000 2.460 242 I HA 0.331 4.501 4.170 0.000 0.000 0.298 242 I C 1.084 177.234 176.117 0.055 0.000 0.989 242 I CA -0.172 61.163 61.300 0.059 0.000 1.173 242 I CB 1.647 39.678 38.000 0.051 0.000 1.338 242 I HN 0.539 nan 8.210 nan 0.000 0.456 243 N N 3.312 122.037 118.700 0.041 0.000 2.420 243 N HA -0.027 4.713 4.740 0.000 0.000 0.185 243 N C 0.337 175.866 175.510 0.031 0.000 1.033 243 N CA 0.283 53.353 53.050 0.034 0.000 0.879 243 N CB 0.675 39.177 38.487 0.025 0.000 1.071 243 N HN 0.755 nan 8.380 nan 0.000 0.437 244 E N 0.847 121.065 120.200 0.029 0.000 2.404 244 E HA 0.356 4.707 4.350 0.000 0.000 0.261 244 E C -0.436 176.182 176.600 0.030 0.000 1.074 244 E CA -0.490 55.926 56.400 0.026 0.000 0.917 244 E CB 0.934 30.647 29.700 0.022 0.000 0.965 244 E HN 0.147 nan 8.360 nan 0.000 0.433 245 A N 2.860 125.697 122.820 0.029 0.000 2.407 245 A HA 0.227 4.547 4.320 0.000 0.000 0.248 245 A C -0.223 177.381 177.584 0.035 0.000 1.082 245 A CA -0.629 51.428 52.037 0.032 0.000 0.785 245 A CB 0.212 19.230 19.000 0.030 0.000 1.020 245 A HN 0.512 nan 8.150 nan 0.000 0.489 246 L N 2.903 124.150 121.223 0.040 0.000 2.399 246 L HA 0.296 4.636 4.340 0.000 0.000 0.257 246 L C 0.314 177.214 176.870 0.050 0.000 1.236 246 L CA 0.912 55.779 54.840 0.046 0.000 1.144 246 L CB -1.167 40.922 42.059 0.050 0.000 1.379 246 L HN 0.794 nan 8.230 nan 0.000 0.414 247 E N -0.085 120.142 120.200 0.044 0.000 2.456 247 E HA 0.426 4.776 4.350 0.000 0.000 0.276 247 E C -1.030 175.596 176.600 0.042 0.000 0.981 247 E CA -1.221 55.205 56.400 0.044 0.000 0.814 247 E CB 1.963 31.685 29.700 0.036 0.000 1.382 247 E HN -0.170 nan 8.360 nan 0.000 0.459 248 V N 2.811 122.751 119.914 0.043 0.000 2.458 248 V HA -0.029 4.091 4.120 0.000 0.000 0.287 248 V C 0.446 176.560 176.094 0.034 0.000 1.009 248 V CA 0.425 62.750 62.300 0.042 0.000 1.091 248 V CB -0.624 31.226 31.823 0.046 0.000 0.960 248 V HN 0.446 nan 8.190 nan 0.000 0.476 249 K N 5.142 125.560 120.400 0.030 0.000 2.180 249 K HA 0.487 4.807 4.320 0.000 0.000 0.251 249 K C -0.439 176.175 176.600 0.024 0.000 1.014 249 K CA -0.485 55.816 56.287 0.024 0.000 0.913 249 K CB 0.857 33.369 32.500 0.019 0.000 1.008 249 K HN 0.551 nan 8.250 nan 0.000 0.490 250 K N 0.498 120.909 120.400 0.018 0.000 2.508 250 K HA 0.190 4.510 4.320 0.000 0.000 0.260 250 K C -0.672 175.935 176.600 0.012 0.000 0.949 250 K CA -0.699 55.597 56.287 0.016 0.000 0.834 250 K CB 2.030 34.537 32.500 0.012 0.000 1.365 250 K HN 0.732 nan 8.250 nan 0.000 0.437 251 T N -1.406 113.155 114.554 0.011 0.000 2.868 251 T HA 0.094 4.444 4.350 0.000 0.000 0.292 251 T C 1.030 175.734 174.700 0.006 0.000 1.028 251 T CA -0.364 61.742 62.100 0.009 0.000 1.059 251 T CB 1.192 70.066 68.868 0.009 0.000 0.991 251 T HN 0.595 nan 8.240 nan 0.000 0.531 252 E N 0.938 121.141 120.200 0.005 0.000 2.106 252 E HA 0.026 4.376 4.350 0.000 0.000 0.192 252 E C 0.629 177.230 176.600 0.003 0.000 0.984 252 E CA 0.814 57.216 56.400 0.004 0.000 0.806 252 E CB -0.452 29.250 29.700 0.004 0.000 0.750 252 E HN 0.808 nan 8.360 nan 0.000 0.458 253 T N 2.149 116.705 114.554 0.003 0.000 2.870 253 T HA 0.068 4.418 4.350 0.000 0.000 0.300 253 T C -0.420 174.280 174.700 -0.000 0.000 0.989 253 T CA -0.487 61.614 62.100 0.001 0.000 1.139 253 T CB 0.559 69.428 68.868 0.002 0.000 0.920 253 T HN -0.009 nan 8.240 nan 0.000 0.537 254 D N 2.121 122.519 120.400 -0.002 0.000 2.525 254 D HA 0.402 5.042 4.640 0.000 0.000 0.235 254 D C -0.020 176.276 176.300 -0.007 0.000 1.137 254 D CA 0.544 54.541 54.000 -0.005 0.000 0.868 254 D CB 0.391 41.187 40.800 -0.006 0.000 1.180 254 D HN 0.736 nan 8.370 nan 0.000 0.465 255 A N 1.985 124.798 122.820 -0.012 0.000 2.594 255 A HA 0.663 4.983 4.320 0.000 0.000 0.295 255 A C -0.844 176.722 177.584 -0.031 0.000 1.071 255 A CA -0.807 51.219 52.037 -0.017 0.000 0.685 255 A CB 1.794 20.788 19.000 -0.010 0.000 1.285 255 A HN 0.417 nan 8.150 nan 0.000 0.405 256 K N 1.480 121.852 120.400 -0.046 0.000 2.523 256 K HA 0.651 4.971 4.320 0.000 0.000 0.257 256 K C -1.616 174.917 176.600 -0.113 0.000 0.932 256 K CA -0.619 55.625 56.287 -0.071 0.000 0.812 256 K CB 1.529 33.995 32.500 -0.058 0.000 1.326 256 K HN 0.664 nan 8.250 nan 0.000 0.433 257 I N 3.581 124.041 120.570 -0.184 0.000 2.352 257 I HA 0.140 4.310 4.170 0.000 0.000 0.290 257 I C -0.260 175.719 176.117 -0.231 0.000 1.036 257 I CA -0.623 60.488 61.300 -0.314 0.000 1.336 257 I CB 0.856 38.496 38.000 -0.600 0.000 1.407 257 I HN 0.401 nan 8.210 nan 0.000 0.497 258 N N 8.365 126.961 118.700 -0.174 0.000 2.589 258 N HA 0.394 5.134 4.740 0.000 0.000 0.232 258 N C -0.365 175.096 175.510 -0.081 0.000 1.015 258 N CA -0.269 52.722 53.050 -0.099 0.000 0.931 258 N CB 1.345 39.801 38.487 -0.051 0.000 1.150 258 N HN 0.470 nan 8.380 nan 0.000 0.512 259 I N 1.120 121.641 120.570 -0.081 0.000 2.529 259 I HA 0.047 4.217 4.170 0.000 0.000 0.284 259 I C 1.519 177.639 176.117 0.005 0.000 1.082 259 I CA 0.190 61.474 61.300 -0.027 0.000 1.406 259 I CB 0.931 38.915 38.000 -0.028 0.000 1.405 259 I HN 0.475 nan 8.210 nan 0.000 0.548 260 T N -0.878 113.696 114.554 0.034 0.000 3.009 260 T HA 0.224 4.574 4.350 0.000 0.000 0.267 260 T C 0.195 174.915 174.700 0.033 0.000 0.942 260 T CA -0.244 61.873 62.100 0.029 0.000 0.883 260 T CB 0.211 69.097 68.868 0.030 0.000 1.192 260 T HN 0.540 nan 8.240 nan 0.000 0.524 261 S N 1.134 116.862 115.700 0.047 0.000 2.541 261 S HA 0.561 5.031 4.470 0.000 0.000 0.271 261 S C -2.738 171.891 174.600 0.048 0.000 1.133 261 S CA -1.247 56.978 58.200 0.041 0.000 0.876 261 S CB 2.055 65.279 63.200 0.040 0.000 1.105 261 S HN -0.195 nan 8.310 nan 0.000 0.470 262 P HA -0.167 nan 4.420 nan 0.000 0.216 262 P C 1.074 178.400 177.300 0.044 0.000 1.150 262 P CA 1.494 64.616 63.100 0.036 0.000 0.843 262 P CB -0.121 31.593 31.700 0.024 0.000 0.787 263 D N -0.362 120.061 120.400 0.039 0.000 2.265 263 D HA -0.215 4.425 4.640 0.000 0.000 0.208 263 D C 1.573 177.904 176.300 0.050 0.000 0.977 263 D CA 1.270 55.289 54.000 0.033 0.000 0.871 263 D CB -0.947 39.864 40.800 0.019 0.000 0.925 263 D HN 0.314 nan 8.370 nan 0.000 0.485 264 Q N -0.200 119.658 119.800 0.097 0.000 2.212 264 Q HA 0.131 4.471 4.340 0.000 0.000 0.199 264 Q C 2.549 178.699 176.000 0.250 0.000 0.950 264 Q CA 0.204 56.127 55.803 0.200 0.000 0.863 264 Q CB 0.047 28.972 28.738 0.312 0.000 0.944 264 Q HN 0.318 nan 8.270 nan 0.000 0.465 265 L N 0.014 121.327 121.223 0.149 0.000 2.129 265 L HA -0.214 4.126 4.340 0.000 0.000 0.212 265 L C 2.352 179.291 176.870 0.115 0.000 1.087 265 L CA 0.883 55.794 54.840 0.119 0.000 0.757 265 L CB -0.313 41.785 42.059 0.065 0.000 0.896 265 L HN 0.365 nan 8.230 nan 0.000 0.434 266 M N -1.117 118.535 119.600 0.086 0.000 2.429 266 M HA -0.040 4.440 4.480 0.000 0.000 0.265 266 M C 2.695 179.017 176.300 0.037 0.000 1.120 266 M CA 1.439 56.772 55.300 0.055 0.000 1.173 266 M CB -0.444 32.174 32.600 0.030 0.000 1.343 266 M HN 0.345 nan 8.290 nan 0.000 0.464 267 S N 0.270 115.972 115.700 0.004 0.000 2.382 267 S HA -0.110 4.360 4.470 0.000 0.000 0.228 267 S C 1.812 176.319 174.600 -0.155 0.000 1.027 267 S CA 1.134 59.270 58.200 -0.106 0.000 0.991 267 S CB -1.022 62.058 63.200 -0.201 0.000 0.823 267 S HN 0.360 nan 8.310 nan 0.000 0.469 268 F N 0.614 120.568 119.950 0.007 0.000 2.407 268 F HA 0.220 4.747 4.527 0.000 0.000 0.299 268 F C 2.031 177.837 175.800 0.010 0.000 1.097 268 F CA 0.206 58.210 58.000 0.007 0.000 1.422 268 F CB -0.170 38.834 39.000 0.006 0.000 1.067 268 F HN 0.218 nan 8.300 nan 0.000 0.539 269 L N 0.203 121.523 121.223 0.162 0.000 2.068 269 L HA -0.099 4.241 4.340 0.000 0.000 0.204 269 L C 2.087 178.996 176.870 0.066 0.000 1.076 269 L CA 1.765 56.667 54.840 0.103 0.000 0.753 269 L CB -0.812 41.293 42.059 0.076 0.000 0.910 269 L HN 0.081 nan 8.230 nan 0.000 0.439 270 E N -1.354 118.868 120.200 0.037 0.000 2.204 270 E HA -0.263 4.087 4.350 0.000 0.000 0.194 270 E C 1.953 178.560 176.600 0.011 0.000 0.989 270 E CA 0.694 57.105 56.400 0.019 0.000 0.824 270 E CB -0.015 29.683 29.700 -0.003 0.000 0.756 270 E HN 0.361 nan 8.360 nan 0.000 0.477 271 Q N 1.476 121.275 119.800 -0.001 0.000 2.123 271 Q HA -0.139 4.201 4.340 0.000 0.000 0.199 271 Q C 1.542 177.563 176.000 0.035 0.000 0.966 271 Q CA 1.472 57.270 55.803 -0.008 0.000 0.845 271 Q CB 0.133 28.840 28.738 -0.052 0.000 0.907 271 Q HN 0.295 nan 8.270 nan 0.000 0.439 272 E N -0.034 120.206 120.200 0.066 0.000 2.208 272 E HA -0.157 4.194 4.350 0.000 0.000 0.193 272 E C 1.839 178.480 176.600 0.068 0.000 0.988 272 E CA 0.939 57.382 56.400 0.071 0.000 0.828 272 E CB 0.036 29.785 29.700 0.081 0.000 0.763 272 E HN 0.534 nan 8.360 nan 0.000 0.478 273 E N 1.273 121.514 120.200 0.068 0.000 2.028 273 E HA -0.173 4.177 4.350 0.000 0.000 0.191 273 E C 2.090 178.739 176.600 0.082 0.000 0.988 273 E CA 0.746 57.201 56.400 0.093 0.000 0.799 273 E CB -0.053 29.700 29.700 0.088 0.000 0.755 273 E HN 0.055 nan 8.360 nan 0.000 0.447 274 K N 0.767 121.192 120.400 0.042 0.000 2.074 274 K HA -0.195 4.125 4.320 0.000 0.000 0.209 274 K C 2.166 178.772 176.600 0.011 0.000 1.048 274 K CA 1.429 57.723 56.287 0.011 0.000 0.926 274 K CB -0.061 32.437 32.500 -0.005 0.000 0.713 274 K HN 0.103 nan 8.250 nan 0.000 0.444 275 M N 0.187 119.803 119.600 0.026 0.000 2.117 275 M HA -0.201 4.279 4.480 0.000 0.000 0.262 275 M C 2.082 178.404 176.300 0.038 0.000 1.065 275 M CA 1.153 56.469 55.300 0.026 0.000 1.114 275 M CB -0.162 32.458 32.600 0.033 0.000 1.361 275 M HN 0.126 nan 8.290 nan 0.000 0.408 276 L N 0.340 121.604 121.223 0.069 0.000 2.044 276 L HA -0.153 4.187 4.340 0.000 0.000 0.205 276 L C 2.419 179.350 176.870 0.102 0.000 1.075 276 L CA 1.792 56.696 54.840 0.107 0.000 0.747 276 L CB -0.758 41.398 42.059 0.161 0.000 0.903 276 L HN 0.219 nan 8.230 nan 0.000 0.435 277 K N -0.469 119.958 120.400 0.045 0.000 2.032 277 K HA -0.217 4.103 4.320 0.000 0.000 0.209 277 K C 1.666 178.208 176.600 -0.096 0.000 1.048 277 K CA 1.870 58.057 56.287 -0.166 0.000 0.927 277 K CB -0.129 32.187 32.500 -0.307 0.000 0.712 277 K HN 0.287 nan 8.250 nan 0.000 0.441 278 D N 0.710 121.085 120.400 -0.042 0.000 2.123 278 D HA -0.195 4.445 4.640 0.000 0.000 0.196 278 D C 2.015 178.321 176.300 0.009 0.000 0.992 278 D CA 1.432 55.421 54.000 -0.019 0.000 0.833 278 D CB -0.195 40.596 40.800 -0.016 0.000 0.954 278 D HN 0.332 nan 8.370 nan 0.000 0.455 279 M N 0.180 119.790 119.600 0.017 0.000 2.084 279 M HA -0.173 4.307 4.480 0.000 0.000 0.259 279 M C 2.454 178.774 176.300 0.032 0.000 1.072 279 M CA 1.201 56.524 55.300 0.039 0.000 1.107 279 M CB -0.557 32.068 32.600 0.041 0.000 1.299 279 M HN -0.112 nan 8.290 nan 0.000 0.413 280 V N 0.716 120.635 119.914 0.009 0.000 2.282 280 V HA -0.312 3.809 4.120 0.000 0.000 0.249 280 V C 1.827 177.790 176.094 -0.219 0.000 1.057 280 V CA 2.194 64.462 62.300 -0.054 0.000 1.032 280 V CB -0.851 31.008 31.823 0.059 0.000 0.645 280 V HN 0.420 nan 8.190 nan 0.000 0.447 281 D N -1.083 119.214 120.400 -0.172 0.000 2.116 281 D HA -0.225 4.415 4.640 0.000 0.000 0.193 281 D C 2.052 178.245 176.300 -0.180 0.000 0.998 281 D CA 1.952 55.826 54.000 -0.210 0.000 0.836 281 D CB -0.385 40.393 40.800 -0.036 0.000 0.951 281 D HN 0.667 nan 8.370 nan 0.000 0.449 282 H N 0.272 119.257 119.070 -0.141 0.000 2.290 282 H HA -0.070 4.486 4.556 0.000 0.000 0.298 282 H C 2.141 177.394 175.328 -0.124 0.000 1.087 282 H CA 1.576 57.562 56.048 -0.103 0.000 1.291 282 H CB -0.499 29.224 29.762 -0.066 0.000 1.369 282 H HN 0.118 nan 8.280 nan 0.000 0.492 283 I N 0.272 120.714 120.570 -0.213 0.000 2.118 283 I HA -0.357 3.813 4.170 0.000 0.000 0.241 283 I C 2.791 178.727 176.117 -0.300 0.000 1.070 283 I CA 1.316 62.470 61.300 -0.243 0.000 1.327 283 I CB -0.730 37.185 38.000 -0.140 0.000 1.034 283 I HN 0.470 nan 8.210 nan 0.000 0.405 284 A N 0.227 122.813 122.820 -0.390 0.000 1.927 284 A HA -0.325 3.995 4.320 0.000 0.000 0.220 284 A C 2.220 179.649 177.584 -0.259 0.000 1.185 284 A CA 2.095 53.870 52.037 -0.438 0.000 0.639 284 A CB -0.835 17.535 19.000 -1.050 0.000 0.820 284 A HN 0.563 nan 8.150 nan 0.000 0.451 285 Q N -0.822 118.823 119.800 -0.259 0.000 2.234 285 Q HA -0.149 4.191 4.340 0.000 0.000 0.206 285 Q C 2.209 178.107 176.000 -0.171 0.000 0.980 285 Q CA 1.889 57.588 55.803 -0.173 0.000 0.869 285 Q CB -0.518 28.122 28.738 -0.163 0.000 0.912 285 Q HN 0.942 nan 8.270 nan 0.000 0.436 286 T N -3.512 110.902 114.554 -0.234 0.000 2.915 286 T HA 0.037 4.387 4.350 0.000 0.000 0.269 286 T C 1.512 176.157 174.700 -0.092 0.000 1.071 286 T CA 0.991 62.992 62.100 -0.165 0.000 1.132 286 T CB 0.067 68.829 68.868 -0.176 0.000 0.878 286 T HN 0.479 nan 8.240 nan 0.000 0.479 287 G N 0.968 109.715 108.800 -0.089 0.000 2.179 287 G HA2 0.055 4.015 3.960 0.000 0.000 0.220 287 G HA3 0.055 4.015 3.960 0.000 0.000 0.220 287 G C 0.281 175.158 174.900 -0.037 0.000 0.990 287 G CA -0.103 44.969 45.100 -0.045 0.000 0.646 287 G HN 1.163 nan 8.290 nan 0.000 0.517 288 A N 0.478 123.262 122.820 -0.060 0.000 2.511 288 A HA 0.533 4.853 4.320 0.000 0.000 0.242 288 A C 1.035 178.588 177.584 -0.051 0.000 1.069 288 A CA 1.165 53.174 52.037 -0.047 0.000 0.763 288 A CB 0.113 19.077 19.000 -0.061 0.000 1.001 288 A HN 1.189 nan 8.150 nan 0.000 0.498 289 N N 0.187 118.864 118.700 -0.038 0.000 2.159 289 N HA 0.279 5.019 4.740 0.000 0.000 0.217 289 N C -0.781 174.687 175.510 -0.070 0.000 1.223 289 N CA 0.005 53.031 53.050 -0.040 0.000 0.896 289 N CB 0.657 39.134 38.487 -0.017 0.000 1.064 289 N HN 0.255 nan 8.380 nan 0.000 0.518 290 V N 0.416 120.272 119.914 -0.096 0.000 2.851 290 V HA 0.577 4.697 4.120 0.000 0.000 0.307 290 V C -1.250 174.713 176.094 -0.217 0.000 1.129 290 V CA -0.853 61.336 62.300 -0.186 0.000 0.932 290 V CB 2.501 34.222 31.823 -0.170 0.000 1.024 290 V HN -0.082 nan 8.190 nan 0.000 0.426 291 V N 4.414 124.123 119.914 -0.341 0.000 2.612 291 V HA 0.522 4.642 4.120 0.000 0.000 0.301 291 V C -1.170 174.715 176.094 -0.347 0.000 1.059 291 V CA -0.524 61.632 62.300 -0.240 0.000 0.886 291 V CB 1.749 33.499 31.823 -0.121 0.000 1.007 291 V HN 0.682 nan 8.190 nan 0.000 0.426 292 F N 3.467 123.415 119.950 -0.003 0.000 2.385 292 F HA 0.615 5.142 4.527 0.000 0.000 0.360 292 F C 0.201 176.002 175.800 0.002 0.000 1.122 292 F CA -0.765 57.234 58.000 -0.002 0.000 1.090 292 F CB 1.777 40.772 39.000 -0.008 0.000 1.150 292 F HN 0.210 nan 8.300 nan 0.000 0.472 293 V N 4.269 124.272 119.914 0.148 0.000 2.398 293 V HA 0.142 4.262 4.120 0.000 0.000 0.286 293 V C 0.819 176.969 176.094 0.093 0.000 1.026 293 V CA -0.475 61.883 62.300 0.096 0.000 0.868 293 V CB 1.574 33.432 31.823 0.058 0.000 0.982 293 V HN 0.878 nan 8.190 nan 0.000 0.443 294 Q N 3.759 123.602 119.800 0.071 0.000 2.172 294 Q HA -0.043 4.297 4.340 0.000 0.000 0.200 294 Q C 1.054 177.079 176.000 0.041 0.000 0.964 294 Q CA 1.157 56.990 55.803 0.051 0.000 0.855 294 Q CB 0.317 29.076 28.738 0.035 0.000 0.918 294 Q HN 0.620 nan 8.270 nan 0.000 0.444 295 K N -0.569 119.855 120.400 0.040 0.000 2.651 295 K HA 0.362 4.682 4.320 0.000 0.000 0.283 295 K C 0.301 176.923 176.600 0.036 0.000 1.018 295 K CA 0.006 56.312 56.287 0.033 0.000 1.127 295 K CB -0.312 32.205 32.500 0.029 0.000 1.501 295 K HN 0.145 nan 8.250 nan 0.000 0.608 296 G N 0.302 109.121 108.800 0.032 0.000 2.580 296 G HA2 0.513 4.473 3.960 0.000 0.000 0.278 296 G HA3 0.513 4.473 3.960 0.000 0.000 0.278 296 G C -0.462 174.461 174.900 0.038 0.000 1.212 296 G CA -0.524 44.596 45.100 0.034 0.000 0.939 296 G HN 0.341 nan 8.290 nan 0.000 0.513 297 I N 0.548 121.141 120.570 0.040 0.000 2.529 297 I HA 0.136 4.306 4.170 0.000 0.000 0.284 297 I C -0.578 175.568 176.117 0.048 0.000 1.088 297 I CA -0.676 60.651 61.300 0.045 0.000 1.062 297 I CB 1.890 39.916 38.000 0.045 0.000 1.218 297 I HN 0.427 nan 8.210 nan 0.000 0.442 298 D N 4.972 125.402 120.400 0.051 0.000 2.449 298 D HA -0.073 4.567 4.640 0.000 0.000 0.236 298 D C 0.668 177.000 176.300 0.053 0.000 1.149 298 D CA 0.473 54.502 54.000 0.049 0.000 0.878 298 D CB 1.301 42.133 40.800 0.053 0.000 1.198 298 D HN 0.506 nan 8.370 nan 0.000 0.446 299 D N 2.357 122.783 120.400 0.045 0.000 2.149 299 D HA -0.171 4.469 4.640 0.000 0.000 0.198 299 D C 1.804 178.124 176.300 0.033 0.000 0.990 299 D CA 0.633 54.666 54.000 0.054 0.000 0.839 299 D CB 0.135 40.958 40.800 0.038 0.000 0.948 299 D HN 0.325 nan 8.370 nan 0.000 0.460 300 L N 0.930 122.150 121.223 -0.005 0.000 2.056 300 L HA -0.040 4.300 4.340 0.000 0.000 0.207 300 L C 2.167 178.993 176.870 -0.074 0.000 1.078 300 L CA 1.576 56.358 54.840 -0.097 0.000 0.749 300 L CB -0.713 41.319 42.059 -0.045 0.000 0.901 300 L HN -0.064 nan 8.230 nan 0.000 0.433 301 A N -1.136 121.730 122.820 0.077 0.000 1.902 301 A HA -0.255 4.066 4.320 0.000 0.000 0.217 301 A C 2.189 179.834 177.584 0.102 0.000 1.181 301 A CA 1.765 53.898 52.037 0.160 0.000 0.623 301 A CB -0.576 18.498 19.000 0.124 0.000 0.818 301 A HN 0.631 nan 8.150 nan 0.000 0.443 302 Q N -1.374 118.461 119.800 0.059 0.000 2.061 302 Q HA -0.245 4.095 4.340 0.000 0.000 0.204 302 Q C 2.193 178.115 176.000 -0.130 0.000 0.984 302 Q CA 1.631 57.451 55.803 0.028 0.000 0.846 302 Q CB -0.419 28.405 28.738 0.143 0.000 0.902 302 Q HN 0.880 nan 8.270 nan 0.000 0.421 303 H N -0.314 118.616 119.070 -0.234 0.000 2.353 303 H HA -0.189 4.367 4.556 0.000 0.000 0.298 303 H C 1.581 176.738 175.328 -0.286 0.000 1.103 303 H CA 1.742 57.566 56.048 -0.374 0.000 1.293 303 H CB 0.042 29.573 29.762 -0.385 0.000 1.372 303 H HN 0.297 nan 8.280 nan 0.000 0.501 304 Y N 0.137 120.506 120.300 0.116 0.000 2.184 304 Y HA -0.151 4.399 4.550 0.000 0.000 0.290 304 Y C 2.785 178.767 175.900 0.137 0.000 1.129 304 Y CA 0.347 58.540 58.100 0.155 0.000 1.144 304 Y CB -0.614 37.976 38.460 0.217 0.000 0.995 304 Y HN 0.141 nan 8.280 nan 0.000 0.513 305 L N -0.188 121.146 121.223 0.185 0.000 2.043 305 L HA -0.257 4.083 4.340 0.000 0.000 0.212 305 L C 2.537 179.422 176.870 0.024 0.000 1.075 305 L CA 2.012 56.905 54.840 0.088 0.000 0.752 305 L CB -1.936 40.126 42.059 0.005 0.000 0.891 305 L HN 0.240 nan 8.230 nan 0.000 0.432 306 A N -0.644 122.087 122.820 -0.148 0.000 1.865 306 A HA -0.223 4.097 4.320 0.000 0.000 0.217 306 A C 2.340 179.833 177.584 -0.153 0.000 1.191 306 A CA 1.621 53.510 52.037 -0.246 0.000 0.623 306 A CB -0.417 18.209 19.000 -0.624 0.000 0.826 306 A HN 0.291 nan 8.150 nan 0.000 0.444 307 K N -1.127 119.167 120.400 -0.177 0.000 2.044 307 K HA -0.196 4.124 4.320 0.000 0.000 0.210 307 K C 1.703 178.253 176.600 -0.083 0.000 1.049 307 K CA 1.860 58.062 56.287 -0.142 0.000 0.927 307 K CB -0.585 31.848 32.500 -0.111 0.000 0.713 307 K HN 0.685 nan 8.250 nan 0.000 0.443 308 Y N 0.345 120.625 120.300 -0.033 0.000 2.680 308 Y HA -0.058 4.492 4.550 0.000 0.000 0.303 308 Y C 1.464 177.340 175.900 -0.039 0.000 1.166 308 Y CA 0.800 58.885 58.100 -0.025 0.000 1.344 308 Y CB -0.135 38.316 38.460 -0.015 0.000 1.002 308 Y HN 0.383 nan 8.280 nan 0.000 0.537 309 G N 0.902 109.744 108.800 0.070 0.000 2.160 309 G HA2 -0.314 3.646 3.960 0.000 0.000 0.251 309 G HA3 -0.314 3.646 3.960 0.000 0.000 0.251 309 G C 0.017 174.930 174.900 0.021 0.000 1.008 309 G CA 0.138 45.253 45.100 0.024 0.000 0.724 309 G HN 0.351 nan 8.290 nan 0.000 0.514 310 I N 0.725 121.310 120.570 0.026 0.000 2.342 310 I HA 0.344 4.514 4.170 0.000 0.000 0.291 310 I C 0.934 177.023 176.117 -0.047 0.000 1.010 310 I CA -0.573 60.717 61.300 -0.016 0.000 1.308 310 I CB 1.499 39.481 38.000 -0.029 0.000 1.400 310 I HN 0.219 nan 8.210 nan 0.000 0.488 311 M N 6.800 126.356 119.600 -0.073 0.000 2.146 311 M HA 0.554 5.034 4.480 0.000 0.000 0.352 311 M C -0.737 175.465 176.300 -0.164 0.000 1.343 311 M CA -0.098 55.145 55.300 -0.095 0.000 1.115 311 M CB 0.736 33.277 32.600 -0.097 0.000 1.657 311 M HN 0.733 nan 8.290 nan 0.000 0.471 312 A N 5.063 127.802 122.820 -0.134 0.000 2.401 312 A HA 0.813 5.133 4.320 0.000 0.000 0.310 312 A C -1.474 176.030 177.584 -0.133 0.000 1.075 312 A CA -0.649 51.287 52.037 -0.168 0.000 0.746 312 A CB 1.862 20.809 19.000 -0.088 0.000 1.277 312 A HN 0.634 nan 8.150 nan 0.000 0.425 313 V N 1.965 121.786 119.914 -0.155 0.000 2.588 313 V HA 0.646 4.767 4.120 0.000 0.000 0.304 313 V C -0.155 175.966 176.094 0.045 0.000 1.042 313 V CA -0.703 61.584 62.300 -0.022 0.000 0.877 313 V CB 1.732 33.592 31.823 0.061 0.000 0.996 313 V HN 1.150 nan 8.190 nan 0.000 0.425 314 R N 2.761 123.294 120.500 0.055 0.000 2.828 314 R HA 0.859 5.199 4.340 0.000 0.000 0.264 314 R C 0.033 176.370 176.300 0.062 0.000 1.022 314 R CA -0.981 55.154 56.100 0.058 0.000 1.021 314 R CB 0.344 30.670 30.300 0.044 0.000 1.163 314 R HN 0.356 nan 8.270 nan 0.000 0.494 315 R N -0.775 119.757 120.500 0.053 0.000 3.525 315 R HA -0.108 4.232 4.340 0.000 0.000 0.276 315 R C -0.971 175.356 176.300 0.046 0.000 1.116 315 R CA 0.781 56.907 56.100 0.043 0.000 0.745 315 R CB -2.198 28.122 30.300 0.033 0.000 1.185 315 R HN 0.471 nan 8.270 nan 0.000 0.454 316 V N 1.051 121.004 119.914 0.065 0.000 2.572 316 V HA 0.031 4.152 4.120 0.000 0.000 0.291 316 V C 1.289 177.394 176.094 0.018 0.000 1.039 316 V CA -0.168 62.165 62.300 0.055 0.000 1.055 316 V CB 1.293 33.172 31.823 0.093 0.000 0.969 316 V HN 0.211 nan 8.190 nan 0.000 0.482 317 K N 4.047 124.445 120.400 -0.004 0.000 2.451 317 K HA 0.004 4.324 4.320 0.000 0.000 0.280 317 K C 1.341 177.927 176.600 -0.024 0.000 1.020 317 K CA 0.086 56.364 56.287 -0.014 0.000 1.008 317 K CB 0.350 32.836 32.500 -0.024 0.000 0.917 317 K HN 0.697 nan 8.250 nan 0.000 0.478 318 K N 2.174 122.565 120.400 -0.016 0.000 2.052 318 K HA -0.255 4.065 4.320 0.000 0.000 0.215 318 K C 1.714 178.294 176.600 -0.033 0.000 1.053 318 K CA 2.451 58.727 56.287 -0.018 0.000 0.934 318 K CB -0.214 32.279 32.500 -0.011 0.000 0.717 318 K HN 0.765 nan 8.250 nan 0.000 0.450 319 S N 0.283 115.962 115.700 -0.036 0.000 2.419 319 S HA -0.155 4.315 4.470 0.000 0.000 0.233 319 S C 1.407 175.965 174.600 -0.071 0.000 1.016 319 S CA 1.517 59.689 58.200 -0.046 0.000 0.974 319 S CB -0.254 62.922 63.200 -0.040 0.000 0.786 319 S HN 0.326 nan 8.310 nan 0.000 0.492 320 D N 1.119 121.470 120.400 -0.083 0.000 2.194 320 D HA 0.087 4.727 4.640 0.000 0.000 0.204 320 D C 1.963 178.169 176.300 -0.157 0.000 0.964 320 D CA 0.784 54.707 54.000 -0.129 0.000 0.846 320 D CB -0.230 40.488 40.800 -0.136 0.000 0.962 320 D HN 0.302 nan 8.370 nan 0.000 0.490 321 M N 0.814 120.348 119.600 -0.111 0.000 2.117 321 M HA -0.108 4.372 4.480 0.000 0.000 0.262 321 M C 1.853 178.101 176.300 -0.087 0.000 1.065 321 M CA 1.267 56.509 55.300 -0.097 0.000 1.114 321 M CB -0.804 31.774 32.600 -0.038 0.000 1.361 321 M HN 0.127 nan 8.290 nan 0.000 0.408 322 E N -0.076 120.082 120.200 -0.070 0.000 2.106 322 E HA -0.156 4.194 4.350 0.000 0.000 0.192 322 E C 2.020 178.576 176.600 -0.073 0.000 0.984 322 E CA 0.825 57.191 56.400 -0.057 0.000 0.806 322 E CB -0.187 29.486 29.700 -0.044 0.000 0.750 322 E HN 0.551 nan 8.360 nan 0.000 0.458 323 K N 0.812 121.153 120.400 -0.098 0.000 2.097 323 K HA -0.054 4.267 4.320 0.000 0.000 0.205 323 K C 2.312 178.836 176.600 -0.126 0.000 1.050 323 K CA 0.692 56.913 56.287 -0.110 0.000 0.938 323 K CB -0.101 32.320 32.500 -0.131 0.000 0.718 323 K HN 0.099 nan 8.250 nan 0.000 0.442 324 L N 0.562 121.683 121.223 -0.171 0.000 2.046 324 L HA -0.208 4.132 4.340 0.000 0.000 0.208 324 L C 2.587 179.396 176.870 -0.101 0.000 1.077 324 L CA 1.139 55.859 54.840 -0.200 0.000 0.747 324 L CB -0.564 41.288 42.059 -0.346 0.000 0.896 324 L HN 0.209 nan 8.230 nan 0.000 0.432 325 A N 0.078 122.855 122.820 -0.070 0.000 1.841 325 A HA -0.247 4.073 4.320 0.000 0.000 0.214 325 A C 2.301 179.872 177.584 -0.022 0.000 1.195 325 A CA 1.874 53.894 52.037 -0.028 0.000 0.611 325 A CB -0.466 18.522 19.000 -0.020 0.000 0.835 325 A HN 0.190 nan 8.150 nan 0.000 0.443 326 K N -0.331 120.049 120.400 -0.033 0.000 2.113 326 K HA -0.114 4.206 4.320 0.000 0.000 0.208 326 K C 2.044 178.631 176.600 -0.022 0.000 1.047 326 K CA 1.508 57.779 56.287 -0.026 0.000 0.928 326 K CB -0.323 32.155 32.500 -0.036 0.000 0.716 326 K HN 0.466 nan 8.250 nan 0.000 0.446 327 A N -0.305 122.494 122.820 -0.036 0.000 1.843 327 A HA -0.118 4.202 4.320 0.000 0.000 0.213 327 A C 2.227 179.813 177.584 0.003 0.000 1.202 327 A CA 1.991 54.012 52.037 -0.026 0.000 0.607 327 A CB -1.195 17.773 19.000 -0.054 0.000 0.847 327 A HN 0.489 nan 8.150 nan 0.000 0.445 328 T N -4.013 110.541 114.554 0.000 0.000 2.995 328 T HA 0.316 4.667 4.350 0.000 0.000 0.269 328 T C 1.563 176.305 174.700 0.070 0.000 1.091 328 T CA 1.462 63.584 62.100 0.037 0.000 1.128 328 T CB -0.154 68.733 68.868 0.031 0.000 0.891 328 T HN 1.818 nan 8.240 nan 0.000 0.492 329 G N 1.199 110.025 108.800 0.044 0.000 2.195 329 G HA2 -0.050 3.910 3.960 0.000 0.000 0.246 329 G HA3 -0.050 3.910 3.960 0.000 0.000 0.246 329 G C 0.372 175.299 174.900 0.044 0.000 0.984 329 G CA -0.021 45.107 45.100 0.047 0.000 0.633 329 G HN 1.237 nan 8.290 nan 0.000 0.525 330 A N -0.107 122.742 122.820 0.048 0.000 2.483 330 A HA 0.609 4.929 4.320 0.000 0.000 0.238 330 A C 0.431 178.034 177.584 0.033 0.000 1.070 330 A CA 0.991 53.057 52.037 0.048 0.000 0.770 330 A CB 0.345 19.381 19.000 0.061 0.000 1.008 330 A HN 0.462 nan 8.150 nan 0.000 0.497 331 K N 1.520 121.940 120.400 0.033 0.000 2.211 331 K HA 0.496 4.817 4.320 0.000 0.000 0.275 331 K C -0.673 175.944 176.600 0.029 0.000 1.024 331 K CA -0.028 56.274 56.287 0.025 0.000 0.887 331 K CB 0.779 33.294 32.500 0.024 0.000 1.084 331 K HN 0.594 nan 8.250 nan 0.000 0.463 332 I N 4.346 124.929 120.570 0.023 0.000 2.517 332 I HA 0.064 4.234 4.170 0.000 0.000 0.285 332 I C -0.275 175.858 176.117 0.026 0.000 1.106 332 I CA -0.423 60.892 61.300 0.026 0.000 1.402 332 I CB 0.686 38.695 38.000 0.016 0.000 1.399 332 I HN 0.189 nan 8.210 nan 0.000 0.535 333 V N 6.133 126.067 119.914 0.033 0.000 2.630 333 V HA 0.184 4.304 4.120 0.000 0.000 0.305 333 V C 0.883 176.995 176.094 0.030 0.000 1.046 333 V CA -0.278 62.041 62.300 0.032 0.000 0.934 333 V CB 1.729 33.576 31.823 0.041 0.000 1.003 333 V HN 0.816 nan 8.190 nan 0.000 0.451 334 T N 2.467 117.035 114.554 0.023 0.000 2.852 334 T HA 0.041 4.391 4.350 0.000 0.000 0.256 334 T C 0.678 175.390 174.700 0.020 0.000 1.038 334 T CA 1.075 63.187 62.100 0.020 0.000 1.141 334 T CB -0.097 68.779 68.868 0.014 0.000 0.869 334 T HN 0.655 nan 8.240 nan 0.000 0.439 335 N N 0.675 119.385 118.700 0.017 0.000 2.372 335 N HA 0.302 5.042 4.740 0.000 0.000 0.291 335 N C 0.821 176.344 175.510 0.021 0.000 1.024 335 N CA -0.466 52.591 53.050 0.012 0.000 0.873 335 N CB 2.510 40.995 38.487 -0.005 0.000 1.206 335 N HN -0.154 nan 8.380 nan 0.000 0.486 336 V N 3.318 123.251 119.914 0.031 0.000 2.313 336 V HA -0.386 3.734 4.120 0.000 0.000 0.253 336 V C 2.426 178.560 176.094 0.068 0.000 1.070 336 V CA 1.909 64.254 62.300 0.077 0.000 1.057 336 V CB -0.800 31.067 31.823 0.073 0.000 0.653 336 V HN 0.810 nan 8.190 nan 0.000 0.450 337 K N 0.511 120.854 120.400 -0.095 0.000 2.074 337 K HA -0.262 4.058 4.320 0.000 0.000 0.209 337 K C 1.290 177.789 176.600 -0.167 0.000 1.048 337 K CA 2.300 58.411 56.287 -0.292 0.000 0.926 337 K CB -0.508 31.884 32.500 -0.179 0.000 0.713 337 K HN 0.410 nan 8.250 nan 0.000 0.444 338 D N 0.710 121.098 120.400 -0.019 0.000 2.340 338 D HA 0.046 4.686 4.640 0.000 0.000 0.220 338 D C 0.011 176.370 176.300 0.098 0.000 1.039 338 D CA 0.019 54.039 54.000 0.033 0.000 0.866 338 D CB -0.035 40.776 40.800 0.017 0.000 0.913 338 D HN 0.130 nan 8.370 nan 0.000 0.523 339 L N 1.570 122.898 121.223 0.175 0.000 2.367 339 L HA 0.280 4.620 4.340 0.000 0.000 0.275 339 L C 0.409 177.362 176.870 0.138 0.000 1.129 339 L CA 0.351 55.275 54.840 0.141 0.000 0.839 339 L CB 0.709 42.836 42.059 0.114 0.000 1.133 339 L HN -0.014 nan 8.230 nan 0.000 0.453 340 T N 1.409 115.995 114.554 0.054 0.000 2.838 340 T HA 0.586 4.936 4.350 0.000 0.000 0.292 340 T C -2.279 172.418 174.700 -0.006 0.000 1.113 340 T CA -1.566 60.546 62.100 0.020 0.000 1.008 340 T CB 1.580 70.470 68.868 0.037 0.000 1.259 340 T HN 0.316 nan 8.240 nan 0.000 0.520 341 P HA -0.022 nan 4.420 nan 0.000 0.215 341 P C 1.052 178.355 177.300 0.006 0.000 1.153 341 P CA 1.099 64.192 63.100 -0.011 0.000 0.853 341 P CB -0.030 31.663 31.700 -0.012 0.000 0.788 342 E N -0.741 119.464 120.200 0.009 0.000 2.396 342 E HA -0.167 4.183 4.350 0.000 0.000 0.200 342 E C 1.306 177.918 176.600 0.020 0.000 1.023 342 E CA 0.997 57.405 56.400 0.014 0.000 0.857 342 E CB -0.770 28.938 29.700 0.013 0.000 0.775 342 E HN 0.345 nan 8.360 nan 0.000 0.525 343 D N -0.506 119.907 120.400 0.021 0.000 2.305 343 D HA 0.025 4.665 4.640 0.000 0.000 0.206 343 D C 0.452 176.772 176.300 0.034 0.000 0.974 343 D CA 0.127 54.144 54.000 0.027 0.000 0.871 343 D CB 0.185 41.003 40.800 0.029 0.000 0.947 343 D HN 0.190 nan 8.370 nan 0.000 0.516 344 L N 0.810 122.052 121.223 0.032 0.000 2.483 344 L HA 0.282 4.622 4.340 0.000 0.000 0.276 344 L C 1.287 178.198 176.870 0.067 0.000 1.213 344 L CA -0.137 54.730 54.840 0.045 0.000 0.843 344 L CB 0.533 42.614 42.059 0.037 0.000 1.107 344 L HN -0.083 nan 8.230 nan 0.000 0.487 345 G N 0.667 109.518 108.800 0.084 0.000 2.601 345 G HA2 0.470 4.430 3.960 0.000 0.000 0.317 345 G HA3 0.470 4.430 3.960 0.000 0.000 0.317 345 G C -2.037 172.957 174.900 0.157 0.000 1.246 345 G CA -0.288 44.876 45.100 0.106 0.000 1.012 345 G HN 0.495 nan 8.290 nan 0.000 0.494 346 Y N -0.409 119.911 120.300 0.033 0.000 2.477 346 Y HA 0.661 5.211 4.550 0.000 0.000 0.347 346 Y C -0.439 175.484 175.900 0.039 0.000 0.981 346 Y CA -0.899 57.221 58.100 0.034 0.000 1.033 346 Y CB 2.097 40.571 38.460 0.023 0.000 1.245 346 Y HN 0.818 nan 8.280 nan 0.000 0.455 347 A N 4.832 127.082 122.820 -0.949 0.000 2.455 347 A HA 0.345 4.665 4.320 0.000 0.000 0.300 347 A C 0.141 177.141 177.584 -0.973 0.000 1.040 347 A CA -0.553 51.080 52.037 -0.675 0.000 0.697 347 A CB 1.485 20.337 19.000 -0.246 0.000 1.265 347 A HN 0.960 nan 8.150 nan 0.000 0.407 348 E N 0.663 120.535 120.200 -0.547 0.000 2.268 348 E HA 0.095 4.445 4.350 0.000 0.000 0.195 348 E C -0.479 176.045 176.600 -0.126 0.000 0.995 348 E CA 1.153 57.418 56.400 -0.225 0.000 0.836 348 E CB 0.141 29.864 29.700 0.038 0.000 0.763 348 E HN 0.480 nan 8.360 nan 0.000 0.491 349 V N 0.633 120.477 119.914 -0.116 0.000 2.775 349 V HA 0.150 4.271 4.120 0.000 0.000 0.295 349 V C -1.071 175.018 176.094 -0.008 0.000 1.226 349 V CA -0.814 61.458 62.300 -0.045 0.000 0.934 349 V CB 2.046 33.862 31.823 -0.012 0.000 1.056 349 V HN -0.197 nan 8.190 nan 0.000 0.436 350 V N 4.430 124.349 119.914 0.007 0.000 2.378 350 V HA 0.686 4.806 4.120 0.000 0.000 0.288 350 V C -0.248 175.887 176.094 0.069 0.000 1.016 350 V CA -0.236 62.104 62.300 0.066 0.000 0.840 350 V CB 1.679 33.537 31.823 0.059 0.000 0.994 350 V HN 0.969 nan 8.190 nan 0.000 0.431 351 E N 3.229 123.502 120.200 0.121 0.000 2.390 351 E HA 0.478 4.828 4.350 0.000 0.000 0.277 351 E C -1.275 175.421 176.600 0.161 0.000 0.939 351 E CA -0.716 55.742 56.400 0.097 0.000 0.769 351 E CB 2.475 32.199 29.700 0.040 0.000 1.251 351 E HN 0.700 nan 8.360 nan 0.000 0.450 352 E N 2.447 122.713 120.200 0.110 0.000 2.216 352 E HA 0.406 4.756 4.350 0.000 0.000 0.279 352 E C -0.940 175.723 176.600 0.105 0.000 0.997 352 E CA -0.367 56.112 56.400 0.131 0.000 0.817 352 E CB 0.993 30.741 29.700 0.080 0.000 1.096 352 E HN 0.365 nan 8.360 nan 0.000 0.393 353 R N 2.766 123.361 120.500 0.158 0.000 2.774 353 R HA 0.396 4.736 4.340 0.000 0.000 0.272 353 R C -0.994 175.377 176.300 0.119 0.000 1.000 353 R CA -0.942 55.206 56.100 0.080 0.000 0.906 353 R CB 1.827 32.095 30.300 -0.053 0.000 1.227 353 R HN 0.310 nan 8.270 nan 0.000 0.468 354 K N 1.556 121.994 120.400 0.063 0.000 2.159 354 K HA 0.507 4.827 4.320 0.000 0.000 0.266 354 K C -0.939 175.703 176.600 0.070 0.000 0.975 354 K CA -0.425 55.901 56.287 0.065 0.000 0.865 354 K CB 1.208 33.729 32.500 0.034 0.000 1.087 354 K HN 0.290 nan 8.250 nan 0.000 0.446 355 L N 2.207 123.481 121.223 0.084 0.000 2.406 355 L HA 0.352 4.692 4.340 0.000 0.000 0.272 355 L C -0.006 176.895 176.870 0.052 0.000 0.980 355 L CA -0.548 54.340 54.840 0.080 0.000 0.831 355 L CB 1.858 43.995 42.059 0.129 0.000 1.253 355 L HN 0.965 nan 8.230 nan 0.000 0.406 356 A N 2.732 125.573 122.820 0.036 0.000 2.822 356 A HA -0.089 4.231 4.320 0.000 0.000 0.287 356 A C 1.392 178.989 177.584 0.022 0.000 1.479 356 A CA 1.276 53.328 52.037 0.025 0.000 0.779 356 A CB -1.904 17.110 19.000 0.023 0.000 1.022 356 A HN 1.769 nan 8.150 nan 0.000 0.532 357 G N -1.877 106.937 108.800 0.023 0.000 2.284 357 G HA2 -0.256 3.704 3.960 0.000 0.000 0.261 357 G HA3 -0.256 3.704 3.960 0.000 0.000 0.261 357 G C -0.138 174.776 174.900 0.025 0.000 0.997 357 G CA 0.965 46.077 45.100 0.020 0.000 0.621 357 G HN 1.723 nan 8.290 nan 0.000 0.534 358 E N 1.269 121.488 120.200 0.031 0.000 2.266 358 E HA 0.426 4.776 4.350 0.000 0.000 0.277 358 E C -0.387 176.243 176.600 0.051 0.000 1.018 358 E CA -0.959 55.461 56.400 0.034 0.000 0.840 358 E CB 0.928 30.645 29.700 0.028 0.000 1.082 358 E HN 0.241 nan 8.360 nan 0.000 0.395 359 N N 2.342 121.071 118.700 0.048 0.000 2.514 359 N HA 0.308 5.048 4.740 0.000 0.000 0.277 359 N C -0.204 175.350 175.510 0.074 0.000 1.126 359 N CA 0.207 53.297 53.050 0.066 0.000 0.978 359 N CB 0.891 39.409 38.487 0.052 0.000 1.106 359 N HN 0.414 nan 8.380 nan 0.000 0.461 360 M N 1.669 121.340 119.600 0.118 0.000 2.575 360 M HA 0.462 4.942 4.480 0.000 0.000 0.284 360 M C -0.984 175.401 176.300 0.143 0.000 1.253 360 M CA -0.833 54.517 55.300 0.083 0.000 0.861 360 M CB 2.338 34.959 32.600 0.035 0.000 1.733 360 M HN 0.077 nan 8.290 nan 0.000 0.462 361 I N 1.832 122.433 120.570 0.052 0.000 2.359 361 I HA 0.433 4.603 4.170 0.000 0.000 0.294 361 I C -1.094 175.029 176.117 0.010 0.000 0.987 361 I CA -0.272 61.108 61.300 0.132 0.000 1.225 361 I CB 0.837 38.949 38.000 0.186 0.000 1.366 361 I HN 0.519 nan 8.210 nan 0.000 0.466 362 F N 5.121 125.103 119.950 0.054 0.000 2.444 362 F HA 0.423 4.950 4.527 0.000 0.000 0.342 362 F C 0.228 176.050 175.800 0.037 0.000 1.121 362 F CA -0.750 57.267 58.000 0.029 0.000 0.997 362 F CB 1.794 40.802 39.000 0.013 0.000 1.130 362 F HN -0.001 nan 8.300 nan 0.000 0.454 363 V N 4.301 124.290 119.914 0.125 0.000 2.284 363 V HA 0.362 4.482 4.120 0.000 0.000 0.274 363 V C -0.511 175.614 176.094 0.052 0.000 1.023 363 V CA -0.582 61.767 62.300 0.081 0.000 0.808 363 V CB 0.708 32.544 31.823 0.022 0.000 1.035 363 V HN 0.802 nan 8.190 nan 0.000 0.445 364 E N 2.655 122.891 120.200 0.060 0.000 2.392 364 E HA 0.761 5.111 4.350 0.000 0.000 0.269 364 E C 0.495 177.099 176.600 0.006 0.000 0.924 364 E CA -0.644 55.784 56.400 0.047 0.000 0.784 364 E CB 2.259 32.018 29.700 0.098 0.000 1.292 364 E HN 0.677 nan 8.360 nan 0.000 0.447 365 G N 0.239 109.052 108.800 0.021 0.000 2.132 365 G HA2 -0.263 3.697 3.960 0.000 0.000 0.234 365 G HA3 -0.263 3.697 3.960 0.000 0.000 0.234 365 G C 0.168 175.104 174.900 0.060 0.000 0.989 365 G CA -0.139 44.982 45.100 0.035 0.000 0.676 365 G HN 0.626 nan 8.290 nan 0.000 0.522 366 C N 0.551 119.876 119.300 0.042 0.000 2.703 366 C HA 0.380 4.840 4.460 0.000 0.000 0.411 366 C C 2.258 177.334 174.990 0.145 0.000 1.290 366 C CA 0.553 59.624 59.018 0.088 0.000 2.054 366 C CB 1.160 28.927 27.740 0.044 0.000 2.732 366 C HN 0.735 nan 8.230 nan 0.000 0.650 367 K N 1.842 122.370 120.400 0.213 0.000 1.974 367 K HA -0.177 4.143 4.320 0.000 0.000 0.226 367 K C 0.851 177.496 176.600 0.075 0.000 1.039 367 K CA 1.623 57.991 56.287 0.136 0.000 1.022 367 K CB -0.155 32.407 32.500 0.104 0.000 0.746 367 K HN 0.752 nan 8.250 nan 0.000 0.445 368 N N 1.347 120.082 118.700 0.059 0.000 2.886 368 N HA 0.238 4.978 4.740 0.000 0.000 0.285 368 N C -2.717 172.811 175.510 0.030 0.000 1.706 368 N CA -1.598 51.474 53.050 0.037 0.000 0.904 368 N CB 1.086 39.591 38.487 0.029 0.000 1.224 368 N HN 0.210 nan 8.380 nan 0.000 0.488 369 P HA -0.015 nan 4.420 nan 0.000 0.261 369 P C 0.139 177.438 177.300 -0.002 0.000 1.173 369 P CA 0.017 63.123 63.100 0.009 0.000 0.760 369 P CB 0.988 32.688 31.700 0.001 0.000 0.783 370 K N 1.105 121.500 120.400 -0.009 0.000 2.358 370 K HA 0.350 4.670 4.320 0.000 0.000 0.197 370 K C 0.663 177.244 176.600 -0.032 0.000 1.025 370 K CA -0.074 56.206 56.287 -0.013 0.000 1.104 370 K CB 0.536 33.032 32.500 -0.005 0.000 0.855 370 K HN 0.558 nan 8.250 nan 0.000 0.531 371 A N 0.494 123.288 122.820 -0.044 0.000 2.374 371 A HA 0.694 5.014 4.320 0.000 0.000 0.305 371 A C -1.066 176.472 177.584 -0.076 0.000 1.053 371 A CA -0.581 51.414 52.037 -0.069 0.000 0.726 371 A CB 1.751 20.705 19.000 -0.076 0.000 1.229 371 A HN -0.080 nan 8.150 nan 0.000 0.431 372 V N 0.941 120.794 119.914 -0.100 0.000 3.078 372 V HA 0.789 4.909 4.120 0.000 0.000 0.311 372 V C -0.437 175.572 176.094 -0.142 0.000 1.138 372 V CA -0.281 61.960 62.300 -0.099 0.000 1.007 372 V CB 2.849 34.624 31.823 -0.079 0.000 1.045 372 V HN 0.996 nan 8.190 nan 0.000 0.432 373 T N 4.584 119.069 114.554 -0.116 0.000 2.848 373 T HA 0.594 4.944 4.350 0.000 0.000 0.285 373 T C -0.630 174.026 174.700 -0.074 0.000 0.995 373 T CA -0.135 61.885 62.100 -0.132 0.000 0.970 373 T CB 1.109 69.905 68.868 -0.120 0.000 0.976 373 T HN 0.399 nan 8.240 nan 0.000 0.441 374 I N 3.641 124.171 120.570 -0.067 0.000 2.307 374 I HA 0.327 4.497 4.170 0.000 0.000 0.289 374 I C -0.200 175.989 176.117 0.121 0.000 1.021 374 I CA -0.654 60.688 61.300 0.071 0.000 1.224 374 I CB 1.050 39.179 38.000 0.215 0.000 1.376 374 I HN 0.331 nan 8.210 nan 0.000 0.470 375 L N 8.077 129.355 121.223 0.091 0.000 2.278 375 L HA 0.465 4.805 4.340 0.000 0.000 0.287 375 L C -0.397 176.527 176.870 0.091 0.000 1.072 375 L CA -0.370 54.523 54.840 0.089 0.000 0.819 375 L CB 0.694 42.823 42.059 0.118 0.000 1.176 375 L HN 0.526 nan 8.230 nan 0.000 0.435 376 I N 5.697 126.316 120.570 0.082 0.000 2.321 376 I HA 0.370 4.540 4.170 0.000 0.000 0.291 376 I C -0.014 176.123 176.117 0.033 0.000 0.998 376 I CA -0.692 60.639 61.300 0.051 0.000 1.227 376 I CB 1.113 39.132 38.000 0.032 0.000 1.368 376 I HN 0.517 nan 8.210 nan 0.000 0.466 377 R N 4.020 124.531 120.500 0.019 0.000 2.787 377 R HA 0.868 5.208 4.340 0.000 0.000 0.271 377 R C -0.117 176.181 176.300 -0.003 0.000 0.993 377 R CA -0.845 55.261 56.100 0.011 0.000 0.993 377 R CB 2.066 32.370 30.300 0.007 0.000 1.155 377 R HN 0.857 nan 8.270 nan 0.000 0.486 378 G N -1.353 107.448 108.800 0.002 0.000 2.550 378 G HA2 0.357 4.317 3.960 0.000 0.000 0.293 378 G HA3 0.357 4.317 3.960 0.000 0.000 0.293 378 G C 0.187 175.095 174.900 0.014 0.000 1.402 378 G CA -0.186 44.918 45.100 0.006 0.000 0.784 378 G HN 0.470 nan 8.290 nan 0.000 0.482 379 G N -1.207 107.608 108.800 0.025 0.000 2.408 379 G HA2 0.374 4.334 3.960 0.000 0.000 0.215 379 G HA3 0.374 4.334 3.960 0.000 0.000 0.215 379 G C 0.905 175.821 174.900 0.028 0.000 1.156 379 G CA 2.208 47.324 45.100 0.027 0.000 0.793 379 G HN 1.569 nan 8.290 nan 0.000 0.535 380 T N -3.532 111.041 114.554 0.033 0.000 2.812 380 T HA 0.510 4.860 4.350 0.000 0.000 0.294 380 T C 0.446 175.155 174.700 0.015 0.000 1.159 380 T CA -0.413 61.708 62.100 0.034 0.000 1.008 380 T CB 2.161 71.070 68.868 0.068 0.000 1.289 380 T HN -0.107 nan 8.240 nan 0.000 0.514 381 E N 0.050 120.238 120.200 -0.021 0.000 2.077 381 E HA -0.016 4.334 4.350 0.000 0.000 0.193 381 E C 1.778 178.311 176.600 -0.113 0.000 0.989 381 E CA 1.636 57.982 56.400 -0.090 0.000 0.800 381 E CB -0.545 29.057 29.700 -0.163 0.000 0.746 381 E HN 0.799 nan 8.360 nan 0.000 0.452 382 H N -0.822 118.248 119.070 -0.001 0.000 2.387 382 H HA -0.054 4.502 4.556 0.000 0.000 0.299 382 H C 1.919 177.244 175.328 -0.004 0.000 1.090 382 H CA 1.301 57.347 56.048 -0.004 0.000 1.332 382 H CB 0.082 29.842 29.762 -0.002 0.000 1.386 382 H HN -0.028 nan 8.280 nan 0.000 0.516 383 V N 0.461 120.443 119.914 0.113 0.000 2.343 383 V HA -0.225 3.896 4.120 0.000 0.000 0.247 383 V C 2.332 178.447 176.094 0.035 0.000 1.051 383 V CA 1.660 64.001 62.300 0.068 0.000 1.036 383 V CB -0.354 31.504 31.823 0.058 0.000 0.654 383 V HN 0.434 nan 8.190 nan 0.000 0.451 384 I N -0.080 120.499 120.570 0.016 0.000 2.315 384 I HA -0.203 3.967 4.170 0.000 0.000 0.248 384 I C 2.198 178.298 176.117 -0.027 0.000 1.117 384 I CA 1.417 62.713 61.300 -0.008 0.000 1.404 384 I CB -0.194 37.799 38.000 -0.013 0.000 1.071 384 I HN 0.346 nan 8.210 nan 0.000 0.419 385 D N 0.312 120.696 120.400 -0.026 0.000 2.144 385 D HA -0.224 4.416 4.640 0.000 0.000 0.200 385 D C 2.001 178.282 176.300 -0.032 0.000 0.978 385 D CA 1.046 55.024 54.000 -0.036 0.000 0.833 385 D CB -0.101 40.682 40.800 -0.029 0.000 0.961 385 D HN 0.232 nan 8.370 nan 0.000 0.470 386 E N 0.251 120.450 120.200 -0.003 0.000 2.216 386 E HA -0.058 4.292 4.350 0.000 0.000 0.192 386 E C 1.880 178.459 176.600 -0.034 0.000 0.988 386 E CA 0.348 56.743 56.400 -0.008 0.000 0.834 386 E CB 0.011 29.722 29.700 0.019 0.000 0.772 386 E HN 0.030 nan 8.360 nan 0.000 0.479 387 V N 0.778 120.670 119.914 -0.035 0.000 2.453 387 V HA -0.156 3.964 4.120 0.000 0.000 0.247 387 V C 2.374 178.389 176.094 -0.132 0.000 1.048 387 V CA 1.899 64.170 62.300 -0.049 0.000 1.049 387 V CB -0.492 31.320 31.823 -0.019 0.000 0.672 387 V HN 0.380 nan 8.190 nan 0.000 0.457 388 E N 0.455 120.554 120.200 -0.168 0.000 2.077 388 E HA -0.254 4.096 4.350 0.000 0.000 0.193 388 E C 2.423 178.809 176.600 -0.357 0.000 0.989 388 E CA 1.392 57.594 56.400 -0.329 0.000 0.800 388 E CB -0.047 29.508 29.700 -0.243 0.000 0.746 388 E HN 0.502 nan 8.360 nan 0.000 0.452 389 R N -0.161 120.223 120.500 -0.193 0.000 2.075 389 R HA -0.044 4.296 4.340 0.000 0.000 0.232 389 R C 2.455 178.676 176.300 -0.131 0.000 1.126 389 R CA 1.019 57.032 56.100 -0.144 0.000 0.963 389 R CB -0.271 29.985 30.300 -0.075 0.000 0.858 389 R HN 0.197 nan 8.270 nan 0.000 0.435 390 A N 1.051 123.807 122.820 -0.106 0.000 1.940 390 A HA -0.162 4.158 4.320 0.000 0.000 0.219 390 A C 2.107 179.639 177.584 -0.087 0.000 1.176 390 A CA 1.267 53.262 52.037 -0.070 0.000 0.631 390 A CB -0.492 18.483 19.000 -0.041 0.000 0.814 390 A HN 0.209 nan 8.150 nan 0.000 0.446 391 L N -1.084 120.037 121.223 -0.170 0.000 2.072 391 L HA -0.144 4.196 4.340 0.000 0.000 0.205 391 L C 2.551 179.334 176.870 -0.146 0.000 1.079 391 L CA 1.277 56.013 54.840 -0.174 0.000 0.752 391 L CB -0.536 41.332 42.059 -0.318 0.000 0.906 391 L HN 0.466 nan 8.230 nan 0.000 0.436 392 E N 0.084 120.114 120.200 -0.283 0.000 2.130 392 E HA -0.251 4.099 4.350 0.000 0.000 0.196 392 E C 1.599 178.212 176.600 0.023 0.000 0.998 392 E CA 1.416 57.772 56.400 -0.072 0.000 0.806 392 E CB -0.030 29.616 29.700 -0.090 0.000 0.738 392 E HN 0.501 nan 8.360 nan 0.000 0.459 393 D N 0.206 120.598 120.400 -0.014 0.000 2.091 393 D HA -0.084 4.556 4.640 0.000 0.000 0.199 393 D C 2.010 178.325 176.300 0.025 0.000 0.980 393 D CA 1.180 55.184 54.000 0.007 0.000 0.831 393 D CB -0.296 40.501 40.800 -0.006 0.000 0.987 393 D HN 0.130 nan 8.370 nan 0.000 0.460 394 A N 1.085 123.919 122.820 0.023 0.000 1.892 394 A HA -0.195 4.125 4.320 0.000 0.000 0.218 394 A C 2.583 180.200 177.584 0.054 0.000 1.188 394 A CA 1.590 53.648 52.037 0.036 0.000 0.631 394 A CB -0.972 18.051 19.000 0.038 0.000 0.822 394 A HN 0.150 nan 8.150 nan 0.000 0.447 395 V N -0.149 119.821 119.914 0.094 0.000 2.332 395 V HA -0.279 3.841 4.120 0.000 0.000 0.248 395 V C 2.575 178.709 176.094 0.066 0.000 1.055 395 V CA 2.527 64.892 62.300 0.108 0.000 1.038 395 V CB -0.553 31.402 31.823 0.220 0.000 0.651 395 V HN 0.682 nan 8.190 nan 0.000 0.450 396 K N -0.082 120.356 120.400 0.063 0.000 2.103 396 K HA -0.118 4.202 4.320 0.000 0.000 0.204 396 K C 2.015 178.632 176.600 0.027 0.000 1.052 396 K CA 1.532 57.844 56.287 0.042 0.000 0.945 396 K CB -0.006 32.519 32.500 0.042 0.000 0.722 396 K HN 0.503 nan 8.250 nan 0.000 0.443 397 V N -1.833 118.096 119.914 0.025 0.000 2.427 397 V HA -0.136 3.984 4.120 0.000 0.000 0.248 397 V C 2.067 178.169 176.094 0.013 0.000 1.051 397 V CA 1.257 63.567 62.300 0.018 0.000 1.048 397 V CB -0.590 31.243 31.823 0.016 0.000 0.666 397 V HN 0.006 nan 8.190 nan 0.000 0.456 398 V N 0.759 120.681 119.914 0.013 0.000 2.295 398 V HA -0.272 3.848 4.120 0.000 0.000 0.246 398 V C 2.728 178.817 176.094 -0.010 0.000 1.049 398 V CA 2.655 64.955 62.300 -0.000 0.000 1.024 398 V CB -0.778 31.044 31.823 -0.001 0.000 0.648 398 V HN 0.698 nan 8.190 nan 0.000 0.447 399 K N -0.052 120.347 120.400 -0.002 0.000 2.063 399 K HA -0.268 4.052 4.320 0.000 0.000 0.208 399 K C 1.828 178.432 176.600 0.006 0.000 1.048 399 K CA 2.153 58.438 56.287 -0.003 0.000 0.928 399 K CB -0.326 32.179 32.500 0.009 0.000 0.713 399 K HN 0.451 nan 8.250 nan 0.000 0.442 400 D N 0.444 120.851 120.400 0.013 0.000 2.116 400 D HA -0.160 4.480 4.640 0.000 0.000 0.193 400 D C 1.931 178.242 176.300 0.019 0.000 0.998 400 D CA 1.435 55.446 54.000 0.017 0.000 0.836 400 D CB -0.249 40.560 40.800 0.016 0.000 0.951 400 D HN 0.106 nan 8.370 nan 0.000 0.449 401 V N 0.735 120.657 119.914 0.012 0.000 2.809 401 V HA -0.127 3.993 4.120 0.000 0.000 0.256 401 V C 2.298 178.404 176.094 0.020 0.000 1.080 401 V CA 0.930 63.239 62.300 0.015 0.000 1.102 401 V CB -0.340 31.488 31.823 0.008 0.000 0.705 401 V HN 0.220 nan 8.190 nan 0.000 0.475 402 M N -0.788 118.814 119.600 0.004 0.000 2.506 402 M HA -0.009 4.471 4.480 0.000 0.000 0.260 402 M C 1.780 178.145 176.300 0.107 0.000 1.104 402 M CA 1.197 56.499 55.300 0.004 0.000 1.112 402 M CB -0.007 32.516 32.600 -0.127 0.000 1.401 402 M HN 0.397 nan 8.290 nan 0.000 0.473 403 E N -0.179 120.067 120.200 0.076 0.000 2.431 403 E HA 0.017 4.367 4.350 0.000 0.000 0.200 403 E C -0.587 176.051 176.600 0.064 0.000 0.995 403 E CA 0.252 56.703 56.400 0.085 0.000 0.915 403 E CB 0.597 30.333 29.700 0.060 0.000 0.930 403 E HN 0.341 nan 8.360 nan 0.000 0.496 404 D N -0.024 120.407 120.400 0.052 0.000 2.696 404 D HA 0.149 4.789 4.640 0.000 0.000 0.251 404 D C 0.392 176.716 176.300 0.041 0.000 1.188 404 D CA -0.433 53.591 54.000 0.039 0.000 0.876 404 D CB 1.630 42.447 40.800 0.028 0.000 1.334 404 D HN 0.043 nan 8.370 nan 0.000 0.540 405 G N 0.813 109.637 108.800 0.041 0.000 2.882 405 G HA2 0.232 4.192 3.960 0.000 0.000 0.206 405 G HA3 0.232 4.192 3.960 0.000 0.000 0.206 405 G C 0.603 175.520 174.900 0.028 0.000 1.155 405 G CA 0.074 45.198 45.100 0.040 0.000 0.800 405 G HN 0.559 nan 8.290 nan 0.000 0.524 406 A N -0.469 122.366 122.820 0.024 0.000 2.327 406 A HA 0.753 5.073 4.320 0.000 0.000 0.283 406 A C -0.728 176.867 177.584 0.018 0.000 1.127 406 A CA -0.338 51.711 52.037 0.019 0.000 0.810 406 A CB 1.730 20.741 19.000 0.017 0.000 1.066 406 A HN 0.321 nan 8.150 nan 0.000 0.492 407 V N 2.185 122.109 119.914 0.017 0.000 3.188 407 V HA 0.635 4.755 4.120 0.000 0.000 0.305 407 V C -0.891 175.214 176.094 0.017 0.000 1.232 407 V CA -0.418 61.892 62.300 0.017 0.000 1.043 407 V CB 2.251 34.084 31.823 0.016 0.000 1.068 407 V HN 0.887 nan 8.190 nan 0.000 0.439 408 L N 3.597 124.831 121.223 0.018 0.000 2.409 408 L HA 0.631 4.971 4.340 0.000 0.000 0.255 408 L C -2.655 174.229 176.870 0.023 0.000 1.027 408 L CA -1.718 53.135 54.840 0.021 0.000 0.834 408 L CB 3.150 45.221 42.059 0.021 0.000 1.426 408 L HN 0.437 nan 8.230 nan 0.000 0.411 409 P HA 0.312 nan 4.420 nan 0.000 0.276 409 P C -0.982 176.335 177.300 0.028 0.000 1.252 409 P CA -0.177 62.941 63.100 0.030 0.000 0.802 409 P CB 1.895 33.619 31.700 0.040 0.000 1.035 410 A N 0.556 123.390 122.820 0.024 0.000 3.936 410 A HA 0.667 4.987 4.320 0.000 0.000 0.160 410 A C 1.206 178.797 177.584 0.012 0.000 1.286 410 A CA 0.059 52.104 52.037 0.014 0.000 1.236 410 A CB -0.914 18.091 19.000 0.009 0.000 1.604 410 A HN 0.644 nan 8.150 nan 0.000 0.674 411 G N -1.717 107.082 108.800 -0.001 0.000 2.269 411 G HA2 0.164 4.124 3.960 0.000 0.000 0.277 411 G HA3 0.164 4.124 3.960 0.000 0.000 0.277 411 G C 1.706 176.600 174.900 -0.010 0.000 1.008 411 G CA 1.454 46.548 45.100 -0.009 0.000 0.774 411 G HN 2.586 nan 8.290 nan 0.000 0.511 412 G N -1.749 107.042 108.800 -0.015 0.000 2.162 412 G HA2 0.057 4.017 3.960 0.000 0.000 0.260 412 G HA3 0.057 4.017 3.960 0.000 0.000 0.260 412 G C 1.592 176.479 174.900 -0.022 0.000 0.976 412 G CA 1.302 46.386 45.100 -0.027 0.000 0.655 412 G HN 2.030 nan 8.290 nan 0.000 0.533 413 A N 0.732 123.563 122.820 0.018 0.000 1.908 413 A HA 0.197 4.518 4.320 0.000 0.000 0.218 413 A C 0.651 178.249 177.584 0.025 0.000 1.181 413 A CA 2.485 54.564 52.037 0.069 0.000 0.627 413 A CB -0.941 18.137 19.000 0.130 0.000 0.818 413 A HN 0.476 nan 8.150 nan 0.000 0.445 414 P HA -0.161 nan 4.420 nan 0.000 0.214 414 P C 1.243 178.521 177.300 -0.036 0.000 1.162 414 P CA 1.441 64.544 63.100 0.006 0.000 0.879 414 P CB -0.149 31.557 31.700 0.009 0.000 0.786 415 E N 0.023 120.195 120.200 -0.046 0.000 2.118 415 E HA -0.174 4.176 4.350 0.000 0.000 0.195 415 E C 2.134 178.675 176.600 -0.097 0.000 0.992 415 E CA 1.210 57.575 56.400 -0.059 0.000 0.804 415 E CB -1.372 28.290 29.700 -0.063 0.000 0.741 415 E HN 0.321 nan 8.360 nan 0.000 0.458 416 I N 1.208 121.684 120.570 -0.158 0.000 2.252 416 I HA -0.244 3.926 4.170 0.000 0.000 0.245 416 I C 2.717 178.617 176.117 -0.361 0.000 1.102 416 I CA 1.488 62.625 61.300 -0.272 0.000 1.385 416 I CB -0.177 37.593 38.000 -0.384 0.000 1.064 416 I HN 0.085 nan 8.210 nan 0.000 0.414 417 E N 1.514 121.496 120.200 -0.363 0.000 2.077 417 E HA -0.209 4.141 4.350 0.000 0.000 0.193 417 E C 2.142 178.708 176.600 -0.057 0.000 0.989 417 E CA 1.511 57.812 56.400 -0.166 0.000 0.800 417 E CB -0.307 29.419 29.700 0.043 0.000 0.746 417 E HN 0.401 nan 8.360 nan 0.000 0.452 418 L N -0.156 121.042 121.223 -0.040 0.000 2.056 418 L HA -0.118 4.222 4.340 0.000 0.000 0.207 418 L C 2.511 179.392 176.870 0.019 0.000 1.078 418 L CA 1.101 55.944 54.840 0.005 0.000 0.749 418 L CB -0.532 41.543 42.059 0.027 0.000 0.901 418 L HN 0.259 nan 8.230 nan 0.000 0.433 419 A N 0.115 122.927 122.820 -0.013 0.000 1.902 419 A HA -0.188 4.132 4.320 0.000 0.000 0.217 419 A C 2.205 179.795 177.584 0.010 0.000 1.181 419 A CA 1.520 53.558 52.037 0.002 0.000 0.623 419 A CB -0.598 18.382 19.000 -0.033 0.000 0.818 419 A HN 0.352 nan 8.150 nan 0.000 0.443 420 I N -1.108 119.453 120.570 -0.016 0.000 2.163 420 I HA -0.238 3.932 4.170 0.000 0.000 0.240 420 I C 2.835 178.975 176.117 0.038 0.000 1.081 420 I CA 1.285 62.591 61.300 0.009 0.000 1.353 420 I CB -0.334 37.670 38.000 0.007 0.000 1.054 420 I HN 0.288 nan 8.210 nan 0.000 0.407 421 R N 0.512 121.035 120.500 0.038 0.000 2.075 421 R HA -0.090 4.250 4.340 0.000 0.000 0.232 421 R C 2.293 178.643 176.300 0.083 0.000 1.126 421 R CA 1.160 57.291 56.100 0.051 0.000 0.963 421 R CB -0.388 29.930 30.300 0.030 0.000 0.858 421 R HN 0.356 nan 8.270 nan 0.000 0.435 422 L N 0.431 121.708 121.223 0.089 0.000 2.201 422 L HA -0.170 4.171 4.340 0.000 0.000 0.212 422 L C 1.944 178.911 176.870 0.160 0.000 1.105 422 L CA 1.145 56.075 54.840 0.151 0.000 0.775 422 L CB -0.344 41.802 42.059 0.146 0.000 0.913 422 L HN 0.183 nan 8.230 nan 0.000 0.440 423 D N -0.366 120.097 120.400 0.106 0.000 2.149 423 D HA -0.192 4.448 4.640 0.000 0.000 0.201 423 D C 2.139 178.483 176.300 0.074 0.000 0.972 423 D CA 0.838 54.885 54.000 0.079 0.000 0.835 423 D CB 0.277 41.110 40.800 0.055 0.000 0.966 423 D HN 0.090 nan 8.370 nan 0.000 0.476 424 E N -0.395 119.858 120.200 0.087 0.000 2.051 424 E HA -0.199 4.151 4.350 0.000 0.000 0.192 424 E C 1.901 178.570 176.600 0.114 0.000 0.991 424 E CA 0.633 57.083 56.400 0.083 0.000 0.799 424 E CB -0.638 29.111 29.700 0.081 0.000 0.748 424 E HN 0.463 nan 8.360 nan 0.000 0.449 425 Y N 1.557 121.860 120.300 0.004 0.000 2.151 425 Y HA -0.279 4.271 4.550 0.000 0.000 0.284 425 Y C 2.165 178.063 175.900 -0.002 0.000 1.166 425 Y CA 1.387 59.485 58.100 -0.004 0.000 1.163 425 Y CB -0.740 37.711 38.460 -0.015 0.000 0.974 425 Y HN 0.013 nan 8.280 nan 0.000 0.511 426 A N 0.565 123.324 122.820 -0.102 0.000 1.873 426 A HA -0.287 4.033 4.320 0.000 0.000 0.218 426 A C 2.283 179.772 177.584 -0.158 0.000 1.193 426 A CA 2.387 54.313 52.037 -0.184 0.000 0.629 426 A CB -0.723 18.247 19.000 -0.050 0.000 0.826 426 A HN 0.555 nan 8.150 nan 0.000 0.447 427 K N -0.150 120.208 120.400 -0.070 0.000 2.113 427 K HA -0.251 4.069 4.320 0.000 0.000 0.208 427 K C 2.109 178.671 176.600 -0.062 0.000 1.047 427 K CA 1.799 58.058 56.287 -0.047 0.000 0.928 427 K CB -0.265 32.229 32.500 -0.010 0.000 0.716 427 K HN 0.901 nan 8.250 nan 0.000 0.446 428 Q N 0.062 119.816 119.800 -0.076 0.000 2.444 428 Q HA 0.034 4.374 4.340 0.000 0.000 0.206 428 Q C 1.327 177.256 176.000 -0.119 0.000 0.948 428 Q CA 0.452 56.220 55.803 -0.059 0.000 0.946 428 Q CB 0.440 29.185 28.738 0.013 0.000 1.027 428 Q HN 0.027 nan 8.270 nan 0.000 0.513 429 V N 0.090 119.878 119.914 -0.211 0.000 2.690 429 V HA 0.252 4.372 4.120 0.000 0.000 0.240 429 V C 1.186 177.202 176.094 -0.129 0.000 1.078 429 V CA 0.927 63.096 62.300 -0.219 0.000 1.102 429 V CB 0.012 31.608 31.823 -0.378 0.000 0.800 429 V HN 0.670 nan 8.190 nan 0.000 0.479 430 G N -0.290 108.441 108.800 -0.116 0.000 2.804 430 G HA2 0.292 4.252 3.960 0.000 0.000 0.230 430 G HA3 0.292 4.252 3.960 0.000 0.000 0.230 430 G C 0.587 175.452 174.900 -0.059 0.000 1.386 430 G CA -0.338 44.720 45.100 -0.070 0.000 0.875 430 G HN 1.765 nan 8.290 nan 0.000 0.557 431 G N -1.012 107.764 108.800 -0.039 0.000 2.562 431 G HA2 -0.133 3.828 3.960 0.000 0.000 0.250 431 G HA3 -0.133 3.828 3.960 0.000 0.000 0.250 431 G C 0.921 175.805 174.900 -0.026 0.000 1.269 431 G CA 1.042 46.124 45.100 -0.031 0.000 0.919 431 G HN 1.503 nan 8.290 nan 0.000 0.574 432 K N 0.427 120.814 120.400 -0.022 0.000 2.228 432 K HA 0.049 4.369 4.320 0.000 0.000 0.202 432 K C 2.268 178.858 176.600 -0.017 0.000 1.051 432 K CA 1.526 57.804 56.287 -0.015 0.000 0.960 432 K CB -0.023 32.471 32.500 -0.010 0.000 0.743 432 K HN 0.428 nan 8.250 nan 0.000 0.458 433 E N 1.330 121.513 120.200 -0.029 0.000 2.110 433 E HA -0.136 4.214 4.350 0.000 0.000 0.193 433 E C 1.905 178.485 176.600 -0.033 0.000 0.988 433 E CA 1.221 57.603 56.400 -0.031 0.000 0.804 433 E CB -0.322 29.346 29.700 -0.052 0.000 0.745 433 E HN 0.318 nan 8.360 nan 0.000 0.458 434 A N 0.383 123.173 122.820 -0.052 0.000 1.908 434 A HA -0.194 4.126 4.320 0.000 0.000 0.218 434 A C 2.007 179.589 177.584 -0.003 0.000 1.181 434 A CA 1.320 53.325 52.037 -0.055 0.000 0.627 434 A CB -0.605 18.362 19.000 -0.055 0.000 0.818 434 A HN 0.190 nan 8.150 nan 0.000 0.445 435 L N -0.378 120.850 121.223 0.009 0.000 2.017 435 L HA -0.143 4.197 4.340 0.000 0.000 0.208 435 L C 3.020 179.937 176.870 0.079 0.000 1.073 435 L CA 2.028 56.888 54.840 0.034 0.000 0.745 435 L CB -0.985 41.087 42.059 0.021 0.000 0.894 435 L HN 0.385 nan 8.230 nan 0.000 0.432 436 A N -0.495 122.372 122.820 0.079 0.000 1.902 436 A HA -0.163 4.157 4.320 0.000 0.000 0.217 436 A C 2.312 180.090 177.584 0.323 0.000 1.181 436 A CA 1.738 53.875 52.037 0.167 0.000 0.623 436 A CB -0.795 18.242 19.000 0.062 0.000 0.818 436 A HN 0.394 nan 8.150 nan 0.000 0.443 437 I N -0.470 120.206 120.570 0.177 0.000 2.493 437 I HA -0.221 3.949 4.170 0.000 0.000 0.254 437 I C 2.360 178.581 176.117 0.173 0.000 1.160 437 I CA 1.267 62.655 61.300 0.148 0.000 1.445 437 I CB -0.368 37.637 38.000 0.010 0.000 1.086 437 I HN 0.440 nan 8.210 nan 0.000 0.433 438 E N 0.737 121.019 120.200 0.136 0.000 2.107 438 E HA -0.156 4.194 4.350 0.000 0.000 0.191 438 E C 1.735 178.421 176.600 0.142 0.000 0.982 438 E CA 0.930 57.399 56.400 0.115 0.000 0.809 438 E CB -0.079 29.664 29.700 0.072 0.000 0.756 438 E HN 0.458 nan 8.360 nan 0.000 0.459 439 N N 0.528 119.343 118.700 0.192 0.000 2.244 439 N HA -0.119 4.621 4.740 0.000 0.000 0.183 439 N C 1.389 177.005 175.510 0.176 0.000 1.016 439 N CA 0.655 53.822 53.050 0.195 0.000 0.866 439 N CB -0.278 38.364 38.487 0.257 0.000 0.980 439 N HN 0.114 nan 8.380 nan 0.000 0.430 440 F N 1.125 121.097 119.950 0.038 0.000 2.186 440 F HA -0.049 4.478 4.527 0.000 0.000 0.299 440 F C 2.094 177.828 175.800 -0.110 0.000 1.090 440 F CA 1.079 58.949 58.000 -0.217 0.000 1.307 440 F CB -0.047 38.781 39.000 -0.287 0.000 1.019 440 F HN 0.038 nan 8.300 nan 0.000 0.489 441 A N -0.360 122.612 122.820 0.253 0.000 1.898 441 A HA -0.201 4.119 4.320 0.000 0.000 0.216 441 A C 1.818 179.424 177.584 0.038 0.000 1.181 441 A CA 1.931 54.060 52.037 0.153 0.000 0.620 441 A CB -1.132 17.949 19.000 0.135 0.000 0.819 441 A HN 0.481 nan 8.150 nan 0.000 0.442 442 D N -0.265 120.154 120.400 0.033 0.000 2.084 442 D HA -0.058 4.582 4.640 0.000 0.000 0.194 442 D C 2.108 178.379 176.300 -0.047 0.000 0.990 442 D CA 1.759 55.758 54.000 -0.001 0.000 0.826 442 D CB -0.223 40.587 40.800 0.018 0.000 0.971 442 D HN 0.331 nan 8.370 nan 0.000 0.453 443 A N 0.467 123.237 122.820 -0.084 0.000 1.927 443 A HA -0.206 4.114 4.320 0.000 0.000 0.220 443 A C 2.344 179.828 177.584 -0.168 0.000 1.185 443 A CA 1.455 53.404 52.037 -0.146 0.000 0.639 443 A CB -1.147 17.702 19.000 -0.252 0.000 0.820 443 A HN 0.436 nan 8.150 nan 0.000 0.451 444 L N -1.153 119.957 121.223 -0.188 0.000 2.447 444 L HA -0.202 4.138 4.340 0.000 0.000 0.225 444 L C 2.076 178.884 176.870 -0.103 0.000 1.148 444 L CA 1.405 56.151 54.840 -0.157 0.000 0.808 444 L CB -0.434 41.556 42.059 -0.115 0.000 0.928 444 L HN 0.438 nan 8.230 nan 0.000 0.448 445 K N 0.030 120.379 120.400 -0.084 0.000 2.418 445 K HA -0.054 4.267 4.320 0.000 0.000 0.195 445 K C 1.777 178.338 176.600 -0.065 0.000 1.035 445 K CA 0.536 56.782 56.287 -0.068 0.000 1.003 445 K CB -0.006 32.462 32.500 -0.053 0.000 0.793 445 K HN 0.270 nan 8.250 nan 0.000 0.494 446 I N -0.049 120.477 120.570 -0.073 0.000 2.530 446 I HA -0.245 3.925 4.170 0.000 0.000 0.257 446 I C 1.646 177.725 176.117 -0.063 0.000 1.179 446 I CA 1.121 62.382 61.300 -0.065 0.000 1.440 446 I CB -0.635 37.324 38.000 -0.069 0.000 1.087 446 I HN -0.017 nan 8.210 nan 0.000 0.440 447 I N 1.401 121.930 120.570 -0.068 0.000 2.090 447 I HA -0.129 4.041 4.170 0.000 0.000 0.236 447 I C 0.259 176.342 176.117 -0.057 0.000 1.064 447 I CA 1.708 62.971 61.300 -0.062 0.000 1.324 447 I CB -2.841 35.122 38.000 -0.062 0.000 1.044 447 I HN 0.190 nan 8.210 nan 0.000 0.399 448 P HA -0.171 nan 4.420 nan 0.000 0.216 448 P C 1.797 179.068 177.300 -0.048 0.000 1.153 448 P CA 1.609 64.679 63.100 -0.050 0.000 0.848 448 P CB -0.070 31.601 31.700 -0.049 0.000 0.787 449 K N -0.158 120.214 120.400 -0.047 0.000 1.991 449 K HA -0.174 4.146 4.320 0.000 0.000 0.212 449 K C 1.953 178.526 176.600 -0.046 0.000 1.049 449 K CA 2.623 58.885 56.287 -0.043 0.000 0.932 449 K CB -0.856 31.619 32.500 -0.042 0.000 0.717 449 K HN 0.178 nan 8.250 nan 0.000 0.441 450 T N -0.674 113.850 114.554 -0.050 0.000 3.035 450 T HA -0.024 4.326 4.350 0.000 0.000 0.268 450 T C 2.010 176.675 174.700 -0.059 0.000 1.109 450 T CA 0.623 62.692 62.100 -0.051 0.000 1.119 450 T CB -0.165 68.673 68.868 -0.050 0.000 0.900 450 T HN 0.185 nan 8.240 nan 0.000 0.503 451 L N 0.657 121.842 121.223 -0.064 0.000 2.005 451 L HA 0.047 4.387 4.340 0.000 0.000 0.207 451 L C 3.323 180.142 176.870 -0.085 0.000 1.072 451 L CA 1.438 56.230 54.840 -0.080 0.000 0.744 451 L CB -0.784 41.228 42.059 -0.079 0.000 0.895 451 L HN 0.407 nan 8.230 nan 0.000 0.433 452 A N -0.386 122.394 122.820 -0.067 0.000 1.898 452 A HA -0.265 4.055 4.320 0.000 0.000 0.216 452 A C 2.177 179.728 177.584 -0.054 0.000 1.181 452 A CA 1.803 53.804 52.037 -0.060 0.000 0.620 452 A CB -0.557 18.417 19.000 -0.043 0.000 0.819 452 A HN 0.468 nan 8.150 nan 0.000 0.442 453 E N 0.131 120.302 120.200 -0.049 0.000 2.049 453 E HA -0.265 4.085 4.350 0.000 0.000 0.198 453 E C 1.668 178.241 176.600 -0.046 0.000 1.007 453 E CA 1.662 58.037 56.400 -0.042 0.000 0.809 453 E CB -0.173 29.504 29.700 -0.039 0.000 0.749 453 E HN 0.574 nan 8.360 nan 0.000 0.450 454 N N 0.087 118.753 118.700 -0.055 0.000 2.289 454 N HA -0.139 4.601 4.740 0.000 0.000 0.184 454 N C 1.336 176.808 175.510 -0.063 0.000 1.016 454 N CA 1.150 54.166 53.050 -0.057 0.000 0.872 454 N CB -0.289 38.158 38.487 -0.066 0.000 0.973 454 N HN 0.245 nan 8.380 nan 0.000 0.433 455 A N -0.185 122.589 122.820 -0.077 0.000 2.206 455 A HA 0.352 4.672 4.320 0.000 0.000 0.211 455 A C 1.676 179.235 177.584 -0.042 0.000 1.158 455 A CA 1.060 53.050 52.037 -0.079 0.000 0.761 455 A CB -0.328 18.607 19.000 -0.108 0.000 0.801 455 A HN 0.335 nan 8.150 nan 0.000 0.473 456 G N -1.414 107.364 108.800 -0.036 0.000 2.176 456 G HA2 -0.226 3.734 3.960 0.000 0.000 0.253 456 G HA3 -0.226 3.734 3.960 0.000 0.000 0.253 456 G C 0.281 175.169 174.900 -0.020 0.000 0.979 456 G CA 0.280 45.367 45.100 -0.023 0.000 0.641 456 G HN 0.448 nan 8.290 nan 0.000 0.530 457 L N 0.551 121.759 121.223 -0.025 0.000 2.468 457 L HA 0.366 4.707 4.340 0.000 0.000 0.253 457 L C 0.720 177.579 176.870 -0.018 0.000 1.237 457 L CA -0.294 54.535 54.840 -0.020 0.000 0.823 457 L CB 0.186 42.231 42.059 -0.024 0.000 1.124 457 L HN 0.153 nan 8.230 nan 0.000 0.504 458 D N -0.026 120.365 120.400 -0.014 0.000 2.339 458 D HA 0.052 4.692 4.640 0.000 0.000 0.241 458 D C 0.833 177.124 176.300 -0.015 0.000 1.183 458 D CA -0.109 53.883 54.000 -0.013 0.000 0.859 458 D CB 1.509 42.304 40.800 -0.009 0.000 1.067 458 D HN 0.459 nan 8.370 nan 0.000 0.484 459 T N 2.912 117.455 114.554 -0.018 0.000 2.635 459 T HA -0.135 4.215 4.350 0.000 0.000 0.267 459 T C 1.957 176.647 174.700 -0.016 0.000 1.040 459 T CA 1.714 63.801 62.100 -0.020 0.000 1.156 459 T CB 0.029 68.884 68.868 -0.023 0.000 0.863 459 T HN 0.394 nan 8.240 nan 0.000 0.430 460 V N 1.483 121.389 119.914 -0.013 0.000 2.255 460 V HA -0.203 3.917 4.120 0.000 0.000 0.247 460 V C 2.387 178.476 176.094 -0.008 0.000 1.051 460 V CA 1.860 64.154 62.300 -0.010 0.000 1.018 460 V CB -0.798 31.020 31.823 -0.008 0.000 0.641 460 V HN 0.557 nan 8.190 nan 0.000 0.445 461 E N -0.382 119.814 120.200 -0.006 0.000 2.031 461 E HA -0.218 4.132 4.350 0.000 0.000 0.193 461 E C 2.335 178.933 176.600 -0.003 0.000 0.994 461 E CA 1.464 57.862 56.400 -0.004 0.000 0.800 461 E CB -0.276 29.422 29.700 -0.003 0.000 0.752 461 E HN 0.347 nan 8.360 nan 0.000 0.447 462 M N 0.614 120.210 119.600 -0.007 0.000 2.082 462 M HA -0.183 4.297 4.480 0.000 0.000 0.258 462 M C 2.366 178.663 176.300 -0.006 0.000 1.071 462 M CA 1.243 56.539 55.300 -0.007 0.000 1.103 462 M CB -0.913 31.678 32.600 -0.014 0.000 1.307 462 M HN 0.164 nan 8.290 nan 0.000 0.409 463 L N -0.276 120.940 121.223 -0.011 0.000 2.064 463 L HA -0.221 4.119 4.340 0.000 0.000 0.216 463 L C 2.597 179.464 176.870 -0.004 0.000 1.077 463 L CA 1.512 56.344 54.840 -0.012 0.000 0.766 463 L CB -1.639 40.410 42.059 -0.016 0.000 0.890 463 L HN 0.130 nan 8.230 nan 0.000 0.435 464 V N -0.749 119.165 119.914 -0.001 0.000 2.358 464 V HA -0.277 3.844 4.120 0.000 0.000 0.246 464 V C 2.496 178.597 176.094 0.011 0.000 1.047 464 V CA 1.559 63.862 62.300 0.005 0.000 1.035 464 V CB -0.475 31.350 31.823 0.004 0.000 0.658 464 V HN 0.447 nan 8.190 nan 0.000 0.452 465 K N -0.012 120.395 120.400 0.011 0.000 2.025 465 K HA -0.129 4.191 4.320 0.000 0.000 0.207 465 K C 2.053 178.669 176.600 0.027 0.000 1.049 465 K CA 1.631 57.928 56.287 0.016 0.000 0.933 465 K CB -0.459 32.048 32.500 0.013 0.000 0.714 465 K HN 0.422 nan 8.250 nan 0.000 0.438 466 V N 1.915 121.844 119.914 0.025 0.000 2.255 466 V HA -0.279 3.841 4.120 0.000 0.000 0.247 466 V C 2.279 178.415 176.094 0.069 0.000 1.051 466 V CA 1.801 64.126 62.300 0.042 0.000 1.018 466 V CB -0.701 31.135 31.823 0.022 0.000 0.641 466 V HN 0.257 nan 8.190 nan 0.000 0.445 467 I N 0.426 121.019 120.570 0.038 0.000 2.226 467 I HA -0.248 3.922 4.170 0.000 0.000 0.245 467 I C 2.832 178.993 176.117 0.075 0.000 1.100 467 I CA 1.885 63.211 61.300 0.043 0.000 1.374 467 I CB -0.532 37.472 38.000 0.007 0.000 1.057 467 I HN 0.377 nan 8.210 nan 0.000 0.413 468 S N 0.546 116.277 115.700 0.051 0.000 2.351 468 S HA -0.227 4.243 4.470 0.000 0.000 0.220 468 S C 2.002 176.634 174.600 0.054 0.000 1.035 468 S CA 1.602 59.828 58.200 0.044 0.000 1.031 468 S CB -0.218 62.999 63.200 0.029 0.000 0.928 468 S HN 0.372 nan 8.310 nan 0.000 0.433 469 E N -0.326 119.906 120.200 0.053 0.000 2.058 469 E HA -0.230 4.120 4.350 0.000 0.000 0.194 469 E C 2.005 178.635 176.600 0.049 0.000 0.997 469 E CA 1.593 58.019 56.400 0.042 0.000 0.801 469 E CB -0.535 29.187 29.700 0.037 0.000 0.746 469 E HN 0.762 nan 8.360 nan 0.000 0.450 470 H N 1.104 120.176 119.070 0.004 0.000 2.353 470 H HA -0.093 4.463 4.556 0.000 0.000 0.298 470 H C 2.004 177.336 175.328 0.006 0.000 1.103 470 H CA 2.004 58.055 56.048 0.005 0.000 1.293 470 H CB 0.210 29.975 29.762 0.004 0.000 1.372 470 H HN -0.043 nan 8.280 nan 0.000 0.501 471 K N -0.361 120.133 120.400 0.157 0.000 2.147 471 K HA -0.111 4.209 4.320 0.000 0.000 0.205 471 K C 1.831 178.448 176.600 0.028 0.000 1.049 471 K CA 1.233 57.578 56.287 0.097 0.000 0.936 471 K CB 0.109 32.656 32.500 0.079 0.000 0.722 471 K HN 0.446 nan 8.250 nan 0.000 0.446 472 N N 0.642 119.349 118.700 0.012 0.000 2.132 472 N HA -0.064 4.676 4.740 0.000 0.000 0.187 472 N C 1.748 177.238 175.510 -0.034 0.000 1.038 472 N CA 1.171 54.217 53.050 -0.006 0.000 0.846 472 N CB -0.131 38.356 38.487 0.000 0.000 1.012 472 N HN 0.116 nan 8.380 nan 0.000 0.429 473 R N 0.265 120.730 120.500 -0.058 0.000 2.161 473 R HA 0.215 4.555 4.340 0.000 0.000 0.213 473 R C 0.837 177.056 176.300 -0.135 0.000 1.055 473 R CA 0.570 56.622 56.100 -0.080 0.000 0.996 473 R CB 0.151 30.411 30.300 -0.066 0.000 0.901 473 R HN 0.287 nan 8.270 nan 0.000 0.456 474 G N -0.113 108.539 108.800 -0.246 0.000 2.479 474 G HA2 -0.196 3.764 3.960 0.000 0.000 0.686 474 G HA3 -0.196 3.764 3.960 0.000 0.000 0.686 474 G C 0.151 174.705 174.900 -0.577 0.000 1.295 474 G CA -0.402 44.506 45.100 -0.320 0.000 0.922 474 G HN 0.107 nan 8.290 nan 0.000 0.582 475 L N 0.515 121.534 121.223 -0.341 0.000 2.195 475 L HA -0.149 4.191 4.340 0.000 0.000 0.225 475 L C 2.584 179.422 176.870 -0.053 0.000 1.096 475 L CA 3.881 58.648 54.840 -0.122 0.000 0.814 475 L CB -0.770 41.292 42.059 0.006 0.000 0.901 475 L HN 1.715 nan 8.230 nan 0.000 0.446 476 G N -0.625 108.114 108.800 -0.102 0.000 2.650 476 G HA2 0.021 3.981 3.960 0.000 0.000 0.214 476 G HA3 0.021 3.981 3.960 0.000 0.000 0.214 476 G C 0.784 175.681 174.900 -0.005 0.000 1.136 476 G CA 0.092 45.176 45.100 -0.026 0.000 0.789 476 G HN 0.317 nan 8.290 nan 0.000 0.536 477 I N 1.876 122.405 120.570 -0.070 0.000 2.587 477 I HA 0.392 4.562 4.170 0.000 0.000 0.284 477 I C 0.923 177.155 176.117 0.192 0.000 1.134 477 I CA -0.146 61.176 61.300 0.037 0.000 1.410 477 I CB 0.130 38.119 38.000 -0.017 0.000 1.392 477 I HN 0.045 nan 8.210 nan 0.000 0.545 478 G N 6.537 115.398 108.800 0.102 0.000 2.788 478 G HA2 0.649 4.609 3.960 0.000 0.000 0.293 478 G HA3 0.649 4.609 3.960 0.000 0.000 0.293 478 G C -0.936 173.989 174.900 0.041 0.000 1.392 478 G CA -0.776 44.372 45.100 0.079 0.000 0.810 478 G HN 0.379 nan 8.290 nan 0.000 0.508 479 I N 1.095 121.674 120.570 0.016 0.000 2.395 479 I HA 0.194 4.364 4.170 0.000 0.000 0.289 479 I C -0.645 175.467 176.117 -0.009 0.000 1.023 479 I CA -0.289 61.010 61.300 -0.002 0.000 1.350 479 I CB 1.593 39.579 38.000 -0.024 0.000 1.409 479 I HN 0.306 nan 8.210 nan 0.000 0.507 480 D N 6.746 127.147 120.400 0.001 0.000 2.493 480 D HA 0.121 4.761 4.640 0.000 0.000 0.235 480 D C 1.041 177.335 176.300 -0.010 0.000 1.117 480 D CA -0.518 53.491 54.000 0.014 0.000 0.930 480 D CB 1.147 41.976 40.800 0.047 0.000 1.010 480 D HN 0.383 nan 8.370 nan 0.000 0.514 481 V N 1.523 121.378 119.914 -0.098 0.000 2.469 481 V HA -0.199 3.921 4.120 0.000 0.000 0.251 481 V C 1.844 177.863 176.094 -0.125 0.000 1.064 481 V CA 1.120 63.321 62.300 -0.165 0.000 1.066 481 V CB -1.130 30.511 31.823 -0.305 0.000 0.667 481 V HN 0.246 nan 8.190 nan 0.000 0.461 482 F N 1.015 120.962 119.950 -0.005 0.000 2.259 482 F HA 0.117 4.644 4.527 0.000 0.000 0.298 482 F C 2.422 178.219 175.800 -0.005 0.000 1.088 482 F CA 1.805 59.801 58.000 -0.006 0.000 1.358 482 F CB -0.413 38.583 39.000 -0.007 0.000 1.040 482 F HN 0.273 nan 8.300 nan 0.000 0.505 483 E N -0.495 119.813 120.200 0.179 0.000 2.474 483 E HA 0.201 4.551 4.350 0.000 0.000 0.195 483 E C 1.352 177.988 176.600 0.059 0.000 1.039 483 E CA 0.509 56.969 56.400 0.101 0.000 0.881 483 E CB -0.121 29.626 29.700 0.079 0.000 0.970 483 E HN 0.228 nan 8.360 nan 0.000 0.486 484 G N 1.707 110.534 108.800 0.044 0.000 2.295 484 G HA2 -0.339 3.621 3.960 0.000 0.000 0.287 484 G HA3 -0.339 3.621 3.960 0.000 0.000 0.287 484 G C -0.182 174.726 174.900 0.013 0.000 1.055 484 G CA 1.107 46.218 45.100 0.018 0.000 0.922 484 G HN 0.422 nan 8.290 nan 0.000 0.503 485 K N -2.616 117.793 120.400 0.015 0.000 2.658 485 K HA 0.615 4.935 4.320 0.000 0.000 0.293 485 K C -3.466 173.144 176.600 0.016 0.000 1.026 485 K CA -2.085 54.210 56.287 0.014 0.000 0.871 485 K CB 0.823 33.333 32.500 0.017 0.000 1.524 485 K HN -0.061 nan 8.250 nan 0.000 0.400 486 P HA 0.283 nan 4.420 nan 0.000 0.271 486 P C -1.186 176.129 177.300 0.024 0.000 1.233 486 P CA -0.073 63.041 63.100 0.024 0.000 0.789 486 P CB 0.801 32.518 31.700 0.028 0.000 0.951 487 A N 0.297 123.133 122.820 0.027 0.000 2.544 487 A HA 0.376 4.696 4.320 0.000 0.000 0.291 487 A C -1.645 175.950 177.584 0.020 0.000 1.055 487 A CA -0.515 51.535 52.037 0.022 0.000 0.651 487 A CB 0.529 19.545 19.000 0.028 0.000 1.296 487 A HN 0.450 nan 8.150 nan 0.000 0.431 488 D N 1.563 121.971 120.400 0.012 0.000 2.339 488 D HA 0.317 4.957 4.640 0.000 0.000 0.241 488 D C 0.955 177.265 176.300 0.016 0.000 1.183 488 D CA -0.417 53.586 54.000 0.006 0.000 0.859 488 D CB 0.693 41.491 40.800 -0.003 0.000 1.067 488 D HN 0.387 nan 8.370 nan 0.000 0.484 489 M N 3.438 123.051 119.600 0.021 0.000 2.229 489 M HA -0.128 4.352 4.480 0.000 0.000 0.264 489 M C 1.593 177.906 176.300 0.022 0.000 1.063 489 M CA 0.515 55.831 55.300 0.027 0.000 1.114 489 M CB -0.416 32.203 32.600 0.032 0.000 1.387 489 M HN 0.424 nan 8.290 nan 0.000 0.420 490 L N 0.307 121.539 121.223 0.015 0.000 2.056 490 L HA -0.147 4.193 4.340 0.000 0.000 0.207 490 L C 2.443 179.320 176.870 0.011 0.000 1.078 490 L CA 1.818 56.665 54.840 0.012 0.000 0.749 490 L CB -1.618 40.444 42.059 0.006 0.000 0.901 490 L HN 0.347 nan 8.230 nan 0.000 0.433 491 E N -0.166 120.040 120.200 0.009 0.000 2.047 491 E HA -0.182 4.168 4.350 0.000 0.000 0.191 491 E C 1.995 178.604 176.600 0.014 0.000 0.987 491 E CA 0.983 57.389 56.400 0.009 0.000 0.799 491 E CB 0.112 29.815 29.700 0.006 0.000 0.752 491 E HN 0.067 nan 8.360 nan 0.000 0.449 492 K N -0.351 120.060 120.400 0.019 0.000 2.442 492 K HA -0.062 4.259 4.320 0.000 0.000 0.198 492 K C 1.071 177.687 176.600 0.027 0.000 1.044 492 K CA 0.947 57.249 56.287 0.026 0.000 0.948 492 K CB -0.251 32.271 32.500 0.036 0.000 0.762 492 K HN 0.420 nan 8.250 nan 0.000 0.472 493 G N 1.626 110.440 108.800 0.023 0.000 2.147 493 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 493 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 493 G C 0.108 175.025 174.900 0.028 0.000 1.005 493 G CA 0.045 45.159 45.100 0.023 0.000 0.713 493 G HN 0.313 nan 8.290 nan 0.000 0.515 494 I N 1.832 122.421 120.570 0.032 0.000 2.276 494 I HA 0.459 4.629 4.170 0.000 0.000 0.290 494 I C 0.842 176.976 176.117 0.027 0.000 1.109 494 I CA -0.620 60.701 61.300 0.034 0.000 1.229 494 I CB 0.101 38.126 38.000 0.040 0.000 1.452 494 I HN 0.322 nan 8.210 nan 0.000 0.497 495 I N 3.184 123.768 120.570 0.024 0.000 2.828 495 I HA 0.731 4.901 4.170 0.000 0.000 0.302 495 I C -0.804 175.324 176.117 0.018 0.000 1.101 495 I CA -0.650 60.662 61.300 0.020 0.000 1.031 495 I CB 2.378 40.389 38.000 0.019 0.000 1.231 495 I HN 0.445 nan 8.210 nan 0.000 0.427 496 E N 3.266 123.475 120.200 0.016 0.000 2.392 496 E HA 0.657 5.007 4.350 0.000 0.000 0.269 496 E C -3.065 173.544 176.600 0.014 0.000 0.924 496 E CA -2.395 54.013 56.400 0.014 0.000 0.784 496 E CB 2.019 31.725 29.700 0.010 0.000 1.292 496 E HN 0.280 nan 8.360 nan 0.000 0.447 497 P HA -0.024 nan 4.420 nan 0.000 0.269 497 P C 0.540 177.848 177.300 0.013 0.000 1.215 497 P CA -0.340 62.768 63.100 0.014 0.000 0.780 497 P CB 0.646 32.354 31.700 0.013 0.000 0.898 498 L N 2.409 123.641 121.223 0.014 0.000 2.093 498 L HA -0.148 4.192 4.340 0.000 0.000 0.208 498 L C 2.313 179.190 176.870 0.012 0.000 1.085 498 L CA 1.676 56.524 54.840 0.013 0.000 0.755 498 L CB -0.332 41.735 42.059 0.014 0.000 0.904 498 L HN 0.422 nan 8.230 nan 0.000 0.435 499 R N -0.592 119.916 120.500 0.013 0.000 2.103 499 R HA -0.183 4.158 4.340 0.000 0.000 0.242 499 R C 2.164 178.471 176.300 0.011 0.000 1.142 499 R CA 1.952 58.060 56.100 0.013 0.000 0.960 499 R CB -0.288 30.021 30.300 0.015 0.000 0.858 499 R HN 0.275 nan 8.270 nan 0.000 0.439 500 V N 1.130 121.050 119.914 0.010 0.000 2.278 500 V HA -0.316 3.804 4.120 0.000 0.000 0.251 500 V C 2.316 178.412 176.094 0.004 0.000 1.062 500 V CA 2.267 64.571 62.300 0.006 0.000 1.038 500 V CB -0.439 31.387 31.823 0.005 0.000 0.646 500 V HN 0.329 nan 8.190 nan 0.000 0.447 501 K N -0.136 120.268 120.400 0.005 0.000 2.076 501 K HA -0.070 4.250 4.320 0.000 0.000 0.204 501 K C 2.140 178.746 176.600 0.010 0.000 1.051 501 K CA 1.155 57.445 56.287 0.004 0.000 0.949 501 K CB -0.168 32.335 32.500 0.006 0.000 0.726 501 K HN 0.376 nan 8.250 nan 0.000 0.443 502 K N -0.004 120.403 120.400 0.012 0.000 2.032 502 K HA -0.239 4.081 4.320 0.000 0.000 0.209 502 K C 2.270 178.881 176.600 0.018 0.000 1.048 502 K CA 1.796 58.092 56.287 0.015 0.000 0.927 502 K CB -0.129 32.379 32.500 0.013 0.000 0.712 502 K HN 0.069 nan 8.250 nan 0.000 0.441 503 Q N 0.868 120.676 119.800 0.014 0.000 2.046 503 Q HA -0.101 4.240 4.340 0.000 0.000 0.200 503 Q C 1.913 177.921 176.000 0.013 0.000 0.975 503 Q CA 1.948 57.759 55.803 0.014 0.000 0.836 503 Q CB -0.404 28.341 28.738 0.012 0.000 0.896 503 Q HN 0.297 nan 8.270 nan 0.000 0.428 504 A N 0.889 123.713 122.820 0.007 0.000 1.869 504 A HA -0.235 4.086 4.320 0.000 0.000 0.218 504 A C 2.042 179.627 177.584 0.001 0.000 1.203 504 A CA 1.940 53.975 52.037 -0.002 0.000 0.638 504 A CB -1.051 17.942 19.000 -0.011 0.000 0.831 504 A HN 0.499 nan 8.150 nan 0.000 0.450 505 I N -0.100 120.478 120.570 0.014 0.000 2.163 505 I HA -0.265 3.906 4.170 0.000 0.000 0.243 505 I C 2.358 178.514 176.117 0.066 0.000 1.085 505 I CA 1.950 63.276 61.300 0.043 0.000 1.347 505 I CB -1.341 36.709 38.000 0.083 0.000 1.044 505 I HN 0.420 nan 8.210 nan 0.000 0.408 506 K N 0.635 121.067 120.400 0.053 0.000 1.978 506 K HA -0.157 4.163 4.320 0.000 0.000 0.214 506 K C 2.311 178.940 176.600 0.048 0.000 1.049 506 K CA 1.983 58.302 56.287 0.053 0.000 0.939 506 K CB -0.369 32.153 32.500 0.036 0.000 0.721 506 K HN 0.141 nan 8.250 nan 0.000 0.441 507 S N 0.851 116.570 115.700 0.031 0.000 2.365 507 S HA -0.226 4.244 4.470 0.000 0.000 0.225 507 S C 2.158 176.772 174.600 0.024 0.000 1.039 507 S CA 1.481 59.696 58.200 0.025 0.000 1.033 507 S CB -0.400 62.809 63.200 0.014 0.000 0.887 507 S HN 0.482 nan 8.310 nan 0.000 0.447 508 A N 0.685 123.511 122.820 0.009 0.000 1.877 508 A HA -0.116 4.204 4.320 0.000 0.000 0.216 508 A C 2.324 179.916 177.584 0.013 0.000 1.186 508 A CA 2.099 54.128 52.037 -0.012 0.000 0.620 508 A CB -1.196 17.768 19.000 -0.060 0.000 0.822 508 A HN 0.468 nan 8.150 nan 0.000 0.443 509 S N -0.514 115.220 115.700 0.056 0.000 2.348 509 S HA -0.187 4.284 4.470 0.000 0.000 0.221 509 S C 1.928 176.613 174.600 0.142 0.000 1.033 509 S CA 1.648 59.936 58.200 0.147 0.000 1.010 509 S CB -0.416 62.927 63.200 0.238 0.000 0.891 509 S HN 0.654 nan 8.310 nan 0.000 0.442 510 E N 0.702 120.962 120.200 0.100 0.000 2.150 510 E HA -0.070 4.280 4.350 0.000 0.000 0.193 510 E C 2.277 178.924 176.600 0.078 0.000 0.985 510 E CA 0.938 57.390 56.400 0.086 0.000 0.814 510 E CB -0.236 29.500 29.700 0.062 0.000 0.752 510 E HN 0.612 nan 8.360 nan 0.000 0.466 511 A N 1.676 124.535 122.820 0.065 0.000 1.897 511 A HA 0.052 4.372 4.320 0.000 0.000 0.215 511 A C 2.421 180.047 177.584 0.071 0.000 1.181 511 A CA 1.299 53.369 52.037 0.055 0.000 0.620 511 A CB -0.426 18.595 19.000 0.035 0.000 0.821 511 A HN 0.262 nan 8.150 nan 0.000 0.443 512 A N 0.296 123.172 122.820 0.092 0.000 1.877 512 A HA -0.102 4.218 4.320 0.000 0.000 0.216 512 A C 2.094 179.775 177.584 0.162 0.000 1.186 512 A CA 1.571 53.688 52.037 0.132 0.000 0.620 512 A CB -0.676 18.429 19.000 0.175 0.000 0.822 512 A HN 0.486 nan 8.150 nan 0.000 0.443 513 I N -0.837 119.846 120.570 0.188 0.000 2.286 513 I HA -0.297 3.873 4.170 0.000 0.000 0.248 513 I C 2.712 178.884 176.117 0.092 0.000 1.115 513 I CA 1.904 63.298 61.300 0.156 0.000 1.392 513 I CB -0.301 37.795 38.000 0.159 0.000 1.065 513 I HN 0.518 nan 8.210 nan 0.000 0.418 514 M N 0.908 120.556 119.600 0.080 0.000 2.117 514 M HA -0.204 4.276 4.480 0.000 0.000 0.262 514 M C 2.265 178.595 176.300 0.049 0.000 1.065 514 M CA 1.987 57.321 55.300 0.057 0.000 1.114 514 M CB -0.023 32.607 32.600 0.050 0.000 1.361 514 M HN 0.104 nan 8.290 nan 0.000 0.408 515 I N 0.087 120.689 120.570 0.052 0.000 2.353 515 I HA -0.253 3.917 4.170 0.000 0.000 0.248 515 I C 1.973 178.109 176.117 0.033 0.000 1.119 515 I CA 0.544 61.869 61.300 0.041 0.000 1.417 515 I CB -0.409 37.615 38.000 0.040 0.000 1.078 515 I HN 0.312 nan 8.210 nan 0.000 0.421 516 L N 0.639 121.884 121.223 0.037 0.000 2.191 516 L HA -0.143 4.197 4.340 0.000 0.000 0.212 516 L C 2.409 179.284 176.870 0.008 0.000 1.103 516 L CA 1.635 56.482 54.840 0.012 0.000 0.769 516 L CB -1.016 41.039 42.059 -0.007 0.000 0.908 516 L HN 0.166 nan 8.230 nan 0.000 0.438 517 R N -1.098 119.416 120.500 0.024 0.000 2.280 517 R HA 0.070 4.410 4.340 0.000 0.000 0.207 517 R C 0.445 176.759 176.300 0.023 0.000 1.043 517 R CA 0.072 56.189 56.100 0.028 0.000 1.006 517 R CB -0.039 30.283 30.300 0.037 0.000 0.885 517 R HN 0.257 nan 8.270 nan 0.000 0.467 518 I N 1.794 122.377 120.570 0.021 0.000 2.474 518 I HA -0.030 4.140 4.170 0.000 0.000 0.287 518 I C 0.557 176.683 176.117 0.016 0.000 1.048 518 I CA 0.189 61.502 61.300 0.022 0.000 1.383 518 I CB 1.094 39.111 38.000 0.027 0.000 1.412 518 I HN 0.097 nan 8.210 nan 0.000 0.531 519 D N 3.107 123.519 120.400 0.020 0.000 2.615 519 D HA 0.114 4.755 4.640 0.000 0.000 0.274 519 D C -0.580 175.740 176.300 0.032 0.000 1.512 519 D CA -0.097 53.912 54.000 0.016 0.000 0.803 519 D CB 0.344 41.143 40.800 -0.003 0.000 1.182 519 D HN 0.367 nan 8.370 nan 0.000 0.473 520 D N 0.362 120.787 120.400 0.043 0.000 2.548 520 D HA 0.228 4.868 4.640 0.000 0.000 0.214 520 D C -1.511 174.827 176.300 0.063 0.000 1.345 520 D CA -0.315 53.717 54.000 0.053 0.000 0.945 520 D CB 1.993 42.814 40.800 0.035 0.000 1.499 520 D HN -0.149 nan 8.370 nan 0.000 0.579 521 V N 5.063 125.038 119.914 0.102 0.000 2.384 521 V HA 0.553 4.673 4.120 0.000 0.000 0.287 521 V C 0.314 176.479 176.094 0.119 0.000 1.020 521 V CA -0.555 61.806 62.300 0.101 0.000 0.850 521 V CB 1.581 33.468 31.823 0.106 0.000 0.987 521 V HN 0.467 nan 8.190 nan 0.000 0.436 522 I N 4.497 125.108 120.570 0.068 0.000 2.448 522 I HA 0.662 4.833 4.170 0.000 0.000 0.281 522 I C 0.141 176.280 176.117 0.037 0.000 1.027 522 I CA -0.463 60.868 61.300 0.052 0.000 1.111 522 I CB 1.672 39.689 38.000 0.029 0.000 1.236 522 I HN 0.651 nan 8.210 nan 0.000 0.452 523 A N 5.104 127.952 122.820 0.046 0.000 2.287 523 A HA 0.861 5.181 4.320 0.000 0.000 0.317 523 A C 0.161 177.755 177.584 0.017 0.000 1.220 523 A CA -0.468 51.583 52.037 0.023 0.000 0.835 523 A CB 1.034 20.045 19.000 0.019 0.000 1.180 523 A HN 0.764 nan 8.150 nan 0.000 0.500 524 A N 2.369 125.193 122.820 0.007 0.000 2.386 524 A HA 0.460 4.780 4.320 0.000 0.000 0.248 524 A C 0.578 178.164 177.584 0.004 0.000 1.082 524 A CA -0.301 51.739 52.037 0.004 0.000 0.789 524 A CB 0.140 19.141 19.000 0.002 0.000 1.025 524 A HN 0.854 nan 8.150 nan 0.000 0.490 525 K N 1.324 121.726 120.400 0.003 0.000 2.416 525 K HA 0.379 4.699 4.320 0.000 0.000 0.283 525 K C 0.496 177.097 176.600 0.002 0.000 1.037 525 K CA 0.144 56.433 56.287 0.004 0.000 0.995 525 K CB 0.320 32.821 32.500 0.003 0.000 0.938 525 K HN 0.790 nan 8.250 nan 0.000 0.475 526 A N 0.000 122.821 122.820 0.001 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 526 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486