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 2qqk_1_A DATA FIRST_RESID 27 DATA SEQUENCE PcGGRLNSKD AGYITSPGYP QDYPSHQNcE WIVYAPEPNQ KIVLNFNPHF DATA SEQUENCE EIEKHDcKYD FIEIRDGDSE SADLLGKHcG NIAPPTIISS GSMLYIKFTS DATA SEQUENCE DXXXQGAGFS LRYEIFKTGS EDcSKNFTSP NGTIESPGFP EKYPHNLDcT DATA SEQUENCE FTILAKPKME IILQFLIFDL XXXXXXXXXX XXXYDWLDIW DGIPHVGPLI DATA SEQUENCE GKYCGTKTPS ELRSSTGILS LTFHTDMAVA KDGFSARYYL VHQEPLENFQ DATA SEQUENCE cNVPLGMESG RIANEQISAS STYSDGRWTP QQSRLHGDDN GWTPNLDSNK DATA SEQUENCE EYLQVDLRFL TMLTAIATQG AISRETQNGY YVKSYKLEVS TNGEDWMVYR DATA SEQUENCE HGKNHKVFQA NNDATEVVLN KLHAPLLTRF VRIRPQTWHS GIALRLELFG DATA SEQUENCE cRVTDAPcSN MLGMLSGLIA DSQISASSTQ EXXWSPSAAR LVSSRSGWFP DATA SEQUENCE RIPQAQPGEE WLQVDLGTPK TVKGVIIQGA RXXXXXXXXX ARAFVRKFKV DATA SEQUENCE SYSLNGKDWE YIQDPRTQQP KLFEGNMHYD TPDIRRFDPI PAQYVRVYPE DATA SEQUENCE RWSPAGIGMR LEVLGcDW 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.297 177.300 -0.006 0.000 1.155 27 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 27 P CB 0.000 31.691 31.700 -0.016 0.000 0.726 28 c N 0.088 118.664 118.600 -0.041 0.000 2.411 28 c HA 0.970 5.540 4.570 -0.000 0.000 0.358 28 c C 0.912 174.832 174.090 -0.284 0.000 1.349 28 c CA 0.969 57.244 56.329 -0.090 0.000 2.326 28 c CB 0.199 42.657 42.510 -0.085 0.000 2.166 28 c HN 1.424 nan 8.230 nan 0.000 0.609 29 G N -0.122 108.270 108.800 -0.679 0.000 2.728 29 G HA2 0.532 4.492 3.960 -0.000 0.000 0.294 29 G HA3 0.532 4.492 3.960 -0.000 0.000 0.294 29 G C 0.099 174.749 174.900 -0.416 0.000 1.342 29 G CA 0.147 44.664 45.100 -0.971 0.000 0.866 29 G HN 3.282 nan 8.290 nan 0.000 0.534 30 G N -1.494 107.178 108.800 -0.214 0.000 2.355 30 G HA2 0.528 4.488 3.960 -0.000 0.000 0.619 30 G HA3 0.528 4.488 3.960 -0.000 0.000 0.619 30 G C -0.813 174.172 174.900 0.141 0.000 1.337 30 G CA 0.064 45.185 45.100 0.034 0.000 0.993 30 G HN 1.136 nan 8.290 nan 0.000 0.599 31 R N -0.405 120.178 120.500 0.138 0.000 2.387 31 R HA 0.648 4.988 4.340 -0.000 0.000 0.314 31 R C -0.551 175.889 176.300 0.233 0.000 0.958 31 R CA -0.666 55.533 56.100 0.165 0.000 0.846 31 R CB 1.485 31.825 30.300 0.067 0.000 1.147 31 R HN 0.405 nan 8.270 nan 0.000 0.447 32 L N 2.400 123.763 121.223 0.233 0.000 2.356 32 L HA 0.351 4.691 4.340 -0.000 0.000 0.277 32 L C -0.152 176.641 176.870 -0.129 0.000 0.996 32 L CA -1.078 53.816 54.840 0.090 0.000 0.822 32 L CB 1.781 43.785 42.059 -0.092 0.000 1.256 32 L HN 0.476 nan 8.230 nan 0.000 0.413 33 N N 1.121 119.698 118.700 -0.205 0.000 2.452 33 N HA -0.007 4.733 4.740 -0.000 0.000 0.266 33 N C 0.678 175.995 175.510 -0.321 0.000 1.175 33 N CA 0.388 53.050 53.050 -0.647 0.000 0.945 33 N CB 1.574 39.867 38.487 -0.324 0.000 1.063 33 N HN 0.585 nan 8.380 nan 0.000 0.472 34 S N 3.115 118.584 115.700 -0.385 0.000 2.603 34 S HA -0.033 4.437 4.470 -0.000 0.000 0.220 34 S C 1.627 176.202 174.600 -0.043 0.000 0.967 34 S CA 0.315 58.465 58.200 -0.083 0.000 0.920 34 S CB -0.099 63.044 63.200 -0.096 0.000 0.773 34 S HN 0.723 nan 8.310 nan 0.000 0.529 35 K N 0.960 121.295 120.400 -0.108 0.000 2.127 35 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 35 K C -0.456 176.118 176.600 -0.042 0.000 1.047 35 K CA 1.493 57.739 56.287 -0.068 0.000 0.927 35 K CB -0.149 32.309 32.500 -0.070 0.000 0.716 35 K HN 0.288 nan 8.250 nan 0.000 0.450 36 D N 0.804 121.190 120.400 -0.024 0.000 2.225 36 D HA 0.220 4.860 4.640 -0.000 0.000 0.248 36 D C -0.823 175.450 176.300 -0.045 0.000 1.096 36 D CA -0.010 53.971 54.000 -0.031 0.000 0.863 36 D CB 1.666 42.458 40.800 -0.013 0.000 1.156 36 D HN 0.364 nan 8.370 nan 0.000 0.450 37 A N 1.894 124.623 122.820 -0.152 0.000 2.477 37 A HA 0.570 4.890 4.320 -0.000 0.000 0.246 37 A C 0.640 177.886 177.584 -0.564 0.000 1.078 37 A CA 0.069 51.897 52.037 -0.348 0.000 0.770 37 A CB 0.447 19.252 19.000 -0.325 0.000 1.011 37 A HN 0.569 nan 8.150 nan 0.000 0.494 38 G N 0.157 108.203 108.800 -1.256 0.000 2.672 38 G HA2 0.552 4.512 3.960 -0.000 0.000 0.292 38 G HA3 0.552 4.512 3.960 -0.000 0.000 0.292 38 G C -1.247 172.939 174.900 -1.190 0.000 1.375 38 G CA -0.584 43.874 45.100 -1.070 0.000 0.890 38 G HN 0.560 nan 8.290 nan 0.000 0.476 39 Y N -0.580 119.458 120.300 -0.437 0.000 2.307 39 Y HA 0.621 5.171 4.550 -0.000 0.000 0.324 39 Y C 0.669 176.474 175.900 -0.159 0.000 1.238 39 Y CA -0.049 57.875 58.100 -0.294 0.000 1.280 39 Y CB 1.581 39.917 38.460 -0.207 0.000 1.248 39 Y HN 0.194 nan 8.280 nan 0.000 0.508 40 I N 1.975 122.524 120.570 -0.035 0.000 2.534 40 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 40 I C -0.593 175.284 176.117 -0.401 0.000 1.077 40 I CA -0.470 60.680 61.300 -0.250 0.000 1.051 40 I CB 2.200 39.888 38.000 -0.520 0.000 1.234 40 I HN 0.664 nan 8.210 nan 0.000 0.425 41 T N 1.045 115.305 114.554 -0.489 0.000 2.901 41 T HA 0.569 4.919 4.350 -0.000 0.000 0.293 41 T C -0.051 174.133 174.700 -0.860 0.000 1.084 41 T CA -0.827 60.770 62.100 -0.840 0.000 1.008 41 T CB 1.645 70.153 68.868 -0.600 0.000 1.170 41 T HN 0.520 nan 8.240 nan 0.000 0.509 42 S N 1.556 116.428 115.700 -1.380 0.000 2.568 42 S HA 0.230 4.700 4.470 -0.000 0.000 0.282 42 S C -1.653 172.836 174.600 -0.185 0.000 1.338 42 S CA -0.732 57.026 58.200 -0.737 0.000 1.045 42 S CB -0.057 62.539 63.200 -1.007 0.000 0.873 42 S HN 0.618 nan 8.310 nan 0.000 0.516 43 P HA -0.176 nan 4.420 nan 0.000 0.219 43 P C 1.343 178.686 177.300 0.070 0.000 1.159 43 P CA 2.175 65.335 63.100 0.099 0.000 0.944 43 P CB -0.396 31.389 31.700 0.143 0.000 0.792 44 G N -3.590 105.260 108.800 0.083 0.000 3.337 44 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.246 44 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.246 44 G C -0.150 174.779 174.900 0.048 0.000 1.131 44 G CA -0.298 44.835 45.100 0.056 0.000 0.773 44 G HN 0.226 nan 8.290 nan 0.000 0.544 45 Y N 2.607 122.852 120.300 -0.092 0.000 2.811 45 Y HA 0.166 4.716 4.550 -0.000 0.000 0.334 45 Y C -0.829 175.008 175.900 -0.106 0.000 1.247 45 Y CA -1.171 56.859 58.100 -0.116 0.000 1.526 45 Y CB 1.147 39.478 38.460 -0.214 0.000 1.284 45 Y HN 0.053 nan 8.280 nan 0.000 0.586 46 P HA 0.020 nan 4.420 nan 0.000 0.256 46 P C -0.766 176.308 177.300 -0.376 0.000 1.384 46 P CA 0.066 62.639 63.100 -0.878 0.000 0.879 46 P CB 0.298 31.490 31.700 -0.848 0.000 1.403 47 Q N 1.353 121.039 119.800 -0.190 0.000 2.394 47 Q HA 0.128 4.468 4.340 -0.000 0.000 0.248 47 Q C -0.273 175.685 176.000 -0.071 0.000 0.992 47 Q CA 0.010 55.747 55.803 -0.110 0.000 0.888 47 Q CB 0.051 28.751 28.738 -0.063 0.000 1.257 47 Q HN -0.005 nan 8.270 nan 0.000 0.462 48 D N 2.484 122.834 120.400 -0.083 0.000 2.525 48 D HA -0.022 4.618 4.640 -0.000 0.000 0.235 48 D C -0.530 175.735 176.300 -0.059 0.000 1.137 48 D CA 0.539 54.467 54.000 -0.119 0.000 0.868 48 D CB -0.034 40.660 40.800 -0.176 0.000 1.180 48 D HN 0.424 nan 8.370 nan 0.000 0.465 49 Y N 0.206 120.547 120.300 0.068 0.000 2.357 49 Y HA 0.470 5.019 4.550 -0.000 0.000 0.340 49 Y C -2.188 173.784 175.900 0.120 0.000 1.260 49 Y CA -2.503 55.669 58.100 0.121 0.000 1.425 49 Y CB -0.972 37.635 38.460 0.245 0.000 1.326 49 Y HN 0.184 nan 8.280 nan 0.000 0.580 50 P HA 0.129 nan 4.420 nan 0.000 0.271 50 P C -0.701 176.739 177.300 0.234 0.000 1.218 50 P CA -0.452 62.758 63.100 0.183 0.000 0.780 50 P CB 0.864 32.658 31.700 0.156 0.000 0.901 51 S N 1.059 116.836 115.700 0.129 0.000 2.603 51 S HA 0.147 4.617 4.470 -0.000 0.000 0.268 51 S C 0.358 175.065 174.600 0.179 0.000 1.317 51 S CA -0.385 57.898 58.200 0.140 0.000 1.012 51 S CB -0.139 63.102 63.200 0.069 0.000 0.926 51 S HN 0.802 nan 8.310 nan 0.000 0.539 52 H N 0.565 119.649 119.070 0.024 0.000 2.748 52 H HA -0.166 4.390 4.556 -0.000 0.000 0.322 52 H C -0.452 174.870 175.328 -0.009 0.000 1.208 52 H CA 1.087 57.133 56.048 -0.004 0.000 1.151 52 H CB -0.878 28.883 29.762 -0.002 0.000 1.505 52 H HN 0.833 nan 8.280 nan 0.000 0.429 53 Q N 2.258 121.981 119.800 -0.128 0.000 2.468 53 Q HA 0.196 4.535 4.340 -0.000 0.000 0.263 53 Q C -1.864 174.059 176.000 -0.128 0.000 0.979 53 Q CA -0.737 54.982 55.803 -0.139 0.000 0.932 53 Q CB 1.374 30.088 28.738 -0.040 0.000 1.462 53 Q HN 0.475 nan 8.270 nan 0.000 0.403 54 N N 1.736 120.353 118.700 -0.138 0.000 2.284 54 N HA 0.591 5.331 4.740 -0.000 0.000 0.300 54 N C -0.929 174.521 175.510 -0.099 0.000 1.047 54 N CA -0.095 52.873 53.050 -0.135 0.000 0.821 54 N CB 1.774 40.177 38.487 -0.139 0.000 1.337 54 N HN 0.530 nan 8.380 nan 0.000 0.482 55 c N 0.426 118.985 118.600 -0.069 0.000 2.486 55 c HA 0.714 5.284 4.570 -0.000 0.000 0.348 55 c C -0.279 173.624 174.090 -0.313 0.000 1.203 55 c CA -0.651 55.502 56.329 -0.293 0.000 1.911 55 c CB 1.125 43.348 42.510 -0.478 0.000 2.340 55 c HN 0.837 nan 8.230 nan 0.000 0.511 56 E N 0.991 120.857 120.200 -0.557 0.000 2.321 56 E HA 0.407 4.757 4.350 -0.000 0.000 0.281 56 E C -1.997 174.388 176.600 -0.360 0.000 0.910 56 E CA -0.551 55.656 56.400 -0.321 0.000 0.770 56 E CB 1.146 30.788 29.700 -0.096 0.000 1.225 56 E HN 0.768 nan 8.360 nan 0.000 0.417 57 W N 2.900 124.130 121.300 -0.116 0.000 2.761 57 W HA 0.558 5.218 4.660 -0.000 0.000 0.340 57 W C -0.734 175.754 176.519 -0.052 0.000 1.072 57 W CA -1.131 56.186 57.345 -0.048 0.000 1.215 57 W CB 1.950 31.391 29.460 -0.032 0.000 1.420 57 W HN 0.413 nan 8.180 nan 0.000 0.519 58 I N 1.975 122.689 120.570 0.240 0.000 2.362 58 I HA 0.242 4.411 4.170 -0.000 0.000 0.289 58 I C -0.049 176.154 176.117 0.144 0.000 0.994 58 I CA -0.558 60.858 61.300 0.192 0.000 1.158 58 I CB 1.502 39.606 38.000 0.172 0.000 1.315 58 I HN -0.066 nan 8.210 nan 0.000 0.451 59 V N 7.613 127.558 119.914 0.051 0.000 2.472 59 V HA 0.531 4.651 4.120 -0.000 0.000 0.290 59 V C -0.832 175.293 176.094 0.053 0.000 1.037 59 V CA -0.658 61.586 62.300 -0.093 0.000 0.908 59 V CB 1.247 32.860 31.823 -0.350 0.000 0.985 59 V HN 0.645 nan 8.190 nan 0.000 0.454 60 Y N 2.286 122.514 120.300 -0.121 0.000 2.544 60 Y HA 0.886 5.436 4.550 -0.000 0.000 0.342 60 Y C -0.378 175.488 175.900 -0.057 0.000 1.062 60 Y CA -1.253 56.804 58.100 -0.071 0.000 1.023 60 Y CB 1.230 39.653 38.460 -0.062 0.000 1.308 60 Y HN 0.757 nan 8.280 nan 0.000 0.457 61 A N 3.689 126.485 122.820 -0.041 0.000 2.282 61 A HA 0.675 4.995 4.320 -0.000 0.000 0.319 61 A C -1.963 175.621 177.584 0.000 0.000 1.121 61 A CA -2.041 49.935 52.037 -0.102 0.000 0.836 61 A CB 0.433 19.416 19.000 -0.027 0.000 1.146 61 A HN 0.699 nan 8.150 nan 0.000 0.494 62 P HA -0.148 nan 4.420 nan 0.000 0.216 62 P C 0.129 177.453 177.300 0.041 0.000 1.154 62 P CA 1.910 65.026 63.100 0.027 0.000 0.865 62 P CB 0.165 31.857 31.700 -0.013 0.000 0.789 63 E N -3.371 116.840 120.200 0.018 0.000 2.366 63 E HA 0.177 4.527 4.350 -0.000 0.000 0.278 63 E C -2.651 173.956 176.600 0.012 0.000 0.923 63 E CA -2.345 54.061 56.400 0.010 0.000 0.761 63 E CB 0.479 30.182 29.700 0.005 0.000 1.231 63 E HN -0.122 nan 8.360 nan 0.000 0.443 64 P HA -0.184 nan 4.420 nan 0.000 0.220 64 P C 1.017 178.339 177.300 0.036 0.000 1.144 64 P CA 1.421 64.535 63.100 0.022 0.000 0.800 64 P CB 0.219 31.949 31.700 0.051 0.000 0.772 65 N N -0.176 118.544 118.700 0.034 0.000 2.094 65 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 65 N C 0.859 176.393 175.510 0.040 0.000 1.023 65 N CA 1.226 54.296 53.050 0.035 0.000 0.857 65 N CB -0.371 38.127 38.487 0.019 0.000 1.013 65 N HN 0.282 nan 8.380 nan 0.000 0.426 66 Q N -0.517 119.302 119.800 0.033 0.000 2.256 66 Q HA 0.352 4.692 4.340 -0.000 0.000 0.232 66 Q C -0.578 175.464 176.000 0.071 0.000 0.965 66 Q CA -0.326 55.503 55.803 0.043 0.000 0.908 66 Q CB 1.279 30.028 28.738 0.017 0.000 1.209 66 Q HN 0.012 nan 8.270 nan 0.000 0.489 67 K N 0.412 120.885 120.400 0.121 0.000 2.313 67 K HA 0.589 4.909 4.320 -0.000 0.000 0.235 67 K C -0.968 175.711 176.600 0.132 0.000 1.035 67 K CA -0.528 55.840 56.287 0.136 0.000 0.868 67 K CB 1.417 34.041 32.500 0.207 0.000 1.232 67 K HN 0.435 nan 8.250 nan 0.000 0.459 68 I N 1.204 121.824 120.570 0.082 0.000 2.433 68 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 68 I C -0.819 175.323 176.117 0.042 0.000 1.001 68 I CA -1.243 60.098 61.300 0.068 0.000 1.119 68 I CB 1.883 39.895 38.000 0.019 0.000 1.289 68 I HN 0.150 nan 8.210 nan 0.000 0.438 69 V N 7.787 127.748 119.914 0.078 0.000 2.483 69 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 69 V C -0.491 175.608 176.094 0.009 0.000 1.035 69 V CA -0.423 61.891 62.300 0.022 0.000 0.896 69 V CB 1.868 33.751 31.823 0.099 0.000 0.986 69 V HN 0.502 nan 8.190 nan 0.000 0.447 70 L N 5.886 127.092 121.223 -0.029 0.000 2.322 70 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 70 L C -0.621 176.191 176.870 -0.096 0.000 1.014 70 L CA -0.528 54.256 54.840 -0.094 0.000 0.815 70 L CB 1.798 43.779 42.059 -0.130 0.000 1.247 70 L HN 0.656 nan 8.230 nan 0.000 0.421 71 N N 2.560 121.164 118.700 -0.160 0.000 2.531 71 N HA 0.432 5.172 4.740 -0.000 0.000 0.268 71 N C -1.079 174.354 175.510 -0.127 0.000 1.023 71 N CA -0.429 52.573 53.050 -0.080 0.000 0.896 71 N CB 1.232 39.690 38.487 -0.049 0.000 1.233 71 N HN 0.283 nan 8.380 nan 0.000 0.512 72 F N 1.100 121.024 119.950 -0.042 0.000 2.471 72 F HA 0.140 4.666 4.527 -0.000 0.000 0.353 72 F C 1.455 177.264 175.800 0.016 0.000 1.113 72 F CA -0.348 57.648 58.000 -0.008 0.000 1.262 72 F CB 0.446 39.410 39.000 -0.060 0.000 1.146 72 F HN 0.394 nan 8.300 nan 0.000 0.578 73 N N 3.818 122.655 118.700 0.229 0.000 2.492 73 N HA 0.043 4.783 4.740 -0.000 0.000 0.260 73 N C -1.875 173.755 175.510 0.200 0.000 1.215 73 N CA -1.037 52.131 53.050 0.197 0.000 0.923 73 N CB 1.368 39.990 38.487 0.225 0.000 1.092 73 N HN 0.221 nan 8.380 nan 0.000 0.448 74 P HA 0.007 nan 4.420 nan 0.000 0.230 74 P C -0.723 176.574 177.300 -0.006 0.000 1.158 74 P CA 1.017 64.087 63.100 -0.049 0.000 0.769 74 P CB 0.066 31.646 31.700 -0.200 0.000 0.807 75 H N -0.487 118.740 119.070 0.263 0.000 2.969 75 H HA 0.368 4.924 4.556 -0.000 0.000 0.269 75 H C -0.749 174.840 175.328 0.434 0.000 1.223 75 H CA -0.419 55.801 56.048 0.287 0.000 1.400 75 H CB -0.648 29.256 29.762 0.237 0.000 1.500 75 H HN 0.028 nan 8.280 nan 0.000 0.486 76 F N 2.448 122.577 119.950 0.298 0.000 2.585 76 F HA 0.324 4.850 4.527 -0.000 0.000 0.319 76 F C -1.194 174.756 175.800 0.250 0.000 1.165 76 F CA -0.592 57.582 58.000 0.289 0.000 0.949 76 F CB 1.523 40.632 39.000 0.181 0.000 1.218 76 F HN 0.387 nan 8.300 nan 0.000 0.453 77 E N 8.083 128.255 120.200 -0.046 0.000 2.361 77 E HA 0.477 4.827 4.350 -0.000 0.000 0.270 77 E C -1.737 174.891 176.600 0.047 0.000 0.911 77 E CA -0.328 56.108 56.400 0.061 0.000 0.818 77 E CB 1.397 31.175 29.700 0.129 0.000 1.332 77 E HN 0.707 nan 8.360 nan 0.000 0.402 78 I N 2.257 122.869 120.570 0.070 0.000 2.785 78 I HA 0.286 4.456 4.170 -0.000 0.000 0.302 78 I C 0.200 176.490 176.117 0.289 0.000 1.069 78 I CA -1.154 60.293 61.300 0.244 0.000 1.045 78 I CB 1.978 40.058 38.000 0.133 0.000 1.236 78 I HN 0.391 nan 8.210 nan 0.000 0.429 79 E N 3.633 124.040 120.200 0.344 0.000 2.437 79 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 79 E C -0.029 176.770 176.600 0.332 0.000 1.030 79 E CA 0.349 56.930 56.400 0.302 0.000 0.934 79 E CB 0.988 30.857 29.700 0.282 0.000 0.943 79 E HN 0.471 nan 8.360 nan 0.000 0.444 80 K N 1.497 122.097 120.400 0.333 0.000 3.134 80 K HA 0.064 4.384 4.320 -0.000 0.000 0.164 80 K C 0.371 177.235 176.600 0.441 0.000 1.133 80 K CA -0.234 56.225 56.287 0.287 0.000 1.402 80 K CB -0.244 32.337 32.500 0.134 0.000 1.945 80 K HN 0.450 nan 8.250 nan 0.000 0.482 81 H N 0.292 119.458 119.070 0.160 0.000 1.452 81 H HA -0.189 4.367 4.556 -0.000 0.000 0.090 81 H C -0.449 174.962 175.328 0.138 0.000 0.973 81 H CA 1.585 57.735 56.048 0.170 0.000 1.901 81 H CB -1.001 28.928 29.762 0.279 0.000 2.257 81 H HN 0.514 nan 8.280 nan 0.000 0.961 82 D N 0.025 120.592 120.400 0.278 0.000 3.008 82 D HA 0.301 4.941 4.640 -0.000 0.000 0.312 82 D C -0.435 175.933 176.300 0.113 0.000 1.361 82 D CA 0.532 54.616 54.000 0.141 0.000 0.858 82 D CB -0.188 40.661 40.800 0.082 0.000 1.098 82 D HN 0.644 nan 8.370 nan 0.000 0.482 83 c N 0.900 119.616 118.600 0.193 0.000 4.268 83 c HA -0.194 4.376 4.570 -0.000 0.000 0.299 83 c C 1.901 176.090 174.090 0.166 0.000 1.429 83 c CA 0.268 56.731 56.329 0.224 0.000 2.018 83 c CB -1.691 40.887 42.510 0.114 0.000 1.277 83 c HN 0.488 nan 8.230 nan 0.000 0.767 84 K N -1.430 119.009 120.400 0.066 0.000 2.296 84 K HA -0.008 4.311 4.320 -0.000 0.000 0.200 84 K C 1.176 177.558 176.600 -0.364 0.000 1.048 84 K CA 1.549 57.680 56.287 -0.260 0.000 0.966 84 K CB 0.107 32.270 32.500 -0.562 0.000 0.754 84 K HN 0.754 nan 8.250 nan 0.000 0.466 85 Y N 0.591 120.999 120.300 0.181 0.000 2.808 85 Y HA 0.135 4.685 4.550 -0.000 0.000 0.244 85 Y C 0.308 176.158 175.900 -0.083 0.000 1.033 85 Y CA -0.570 57.562 58.100 0.054 0.000 1.415 85 Y CB 0.281 38.711 38.460 -0.050 0.000 1.420 85 Y HN -0.154 nan 8.280 nan 0.000 0.484 86 D N 0.826 121.320 120.400 0.157 0.000 2.192 86 D HA 0.472 5.112 4.640 -0.000 0.000 0.246 86 D C -0.941 175.383 176.300 0.040 0.000 1.042 86 D CA -0.069 53.868 54.000 -0.105 0.000 0.847 86 D CB 1.687 42.564 40.800 0.129 0.000 1.186 86 D HN 0.103 nan 8.370 nan 0.000 0.461 87 F N -0.717 119.225 119.950 -0.014 0.000 2.770 87 F HA 0.473 5.000 4.527 -0.000 0.000 0.313 87 F C -1.699 174.180 175.800 0.132 0.000 1.154 87 F CA -1.373 56.682 58.000 0.092 0.000 0.923 87 F CB 0.927 39.969 39.000 0.070 0.000 1.301 87 F HN 0.209 nan 8.300 nan 0.000 0.449 88 I N 1.557 122.407 120.570 0.465 0.000 2.377 88 I HA 0.488 4.658 4.170 -0.000 0.000 0.293 88 I C -1.037 175.274 176.117 0.323 0.000 0.987 88 I CA -0.267 61.230 61.300 0.329 0.000 1.185 88 I CB 1.534 39.524 38.000 -0.016 0.000 1.341 88 I HN 0.756 nan 8.210 nan 0.000 0.455 89 E N 7.231 127.612 120.200 0.302 0.000 2.183 89 E HA 0.495 4.845 4.350 -0.000 0.000 0.271 89 E C -1.396 175.310 176.600 0.176 0.000 0.919 89 E CA -0.783 55.755 56.400 0.230 0.000 0.781 89 E CB 2.588 32.441 29.700 0.256 0.000 1.140 89 E HN 0.427 nan 8.360 nan 0.000 0.402 90 I N 2.536 123.204 120.570 0.164 0.000 2.465 90 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 90 I C -0.197 176.022 176.117 0.170 0.000 1.014 90 I CA -0.449 60.942 61.300 0.152 0.000 1.093 90 I CB 1.551 39.633 38.000 0.137 0.000 1.267 90 I HN 0.226 nan 8.210 nan 0.000 0.431 91 R N 2.610 123.246 120.500 0.227 0.000 2.670 91 R HA 0.394 4.734 4.340 -0.000 0.000 0.289 91 R C -1.173 175.220 176.300 0.155 0.000 0.965 91 R CA -1.065 55.158 56.100 0.204 0.000 0.899 91 R CB 1.826 32.292 30.300 0.278 0.000 1.173 91 R HN 0.449 nan 8.270 nan 0.000 0.456 92 D N 1.388 121.844 120.400 0.094 0.000 2.374 92 D HA 0.311 4.951 4.640 -0.000 0.000 0.240 92 D C 0.739 177.074 176.300 0.059 0.000 1.229 92 D CA 1.220 55.258 54.000 0.064 0.000 0.895 92 D CB 0.674 41.496 40.800 0.038 0.000 1.046 92 D HN 0.707 nan 8.370 nan 0.000 0.498 93 G N 3.838 112.680 108.800 0.069 0.000 2.680 93 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.222 93 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.222 93 G C -0.741 174.205 174.900 0.077 0.000 1.460 93 G CA 0.019 45.152 45.100 0.056 0.000 1.275 93 G HN 0.733 nan 8.290 nan 0.000 0.506 94 D N -0.775 119.650 120.400 0.042 0.000 2.706 94 D HA 0.626 5.265 4.640 -0.000 0.000 0.225 94 D C -0.029 176.198 176.300 -0.121 0.000 1.241 94 D CA 1.727 55.744 54.000 0.028 0.000 0.784 94 D CB 1.369 42.181 40.800 0.021 0.000 1.521 94 D HN 2.179 nan 8.370 nan 0.000 0.461 95 S N 1.594 117.118 115.700 -0.293 0.000 3.663 95 S HA -0.214 4.256 4.470 -0.000 0.000 0.779 95 S C 0.809 174.912 174.600 -0.828 0.000 1.254 95 S CA 0.815 58.693 58.200 -0.536 0.000 1.164 95 S CB -0.912 62.142 63.200 -0.243 0.000 0.532 95 S HN 0.750 nan 8.310 nan 0.000 0.505 96 E N 0.742 120.509 120.200 -0.721 0.000 2.268 96 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 96 E C 1.895 178.376 176.600 -0.199 0.000 0.995 96 E CA 1.180 57.298 56.400 -0.471 0.000 0.836 96 E CB -0.272 29.306 29.700 -0.203 0.000 0.763 96 E HN 0.818 nan 8.360 nan 0.000 0.491 97 S N -0.391 115.207 115.700 -0.169 0.000 2.593 97 S HA 0.277 4.747 4.470 -0.000 0.000 0.217 97 S C 0.810 175.374 174.600 -0.061 0.000 0.966 97 S CA -0.028 58.120 58.200 -0.086 0.000 0.914 97 S CB 0.387 63.546 63.200 -0.068 0.000 0.776 97 S HN 0.287 nan 8.310 nan 0.000 0.523 98 A N 2.023 124.799 122.820 -0.073 0.000 2.366 98 A HA 0.302 4.622 4.320 -0.000 0.000 0.250 98 A C 0.126 177.713 177.584 0.005 0.000 1.099 98 A CA -0.343 51.680 52.037 -0.023 0.000 0.794 98 A CB -0.138 18.858 19.000 -0.007 0.000 1.056 98 A HN 0.366 nan 8.150 nan 0.000 0.499 99 D N -0.118 120.291 120.400 0.015 0.000 2.488 99 D HA 0.134 4.774 4.640 -0.000 0.000 0.238 99 D C -0.172 176.149 176.300 0.035 0.000 1.138 99 D CA 0.319 54.330 54.000 0.017 0.000 0.873 99 D CB 0.562 41.370 40.800 0.013 0.000 1.183 99 D HN 0.363 nan 8.370 nan 0.000 0.458 100 L N 3.822 125.059 121.223 0.025 0.000 2.433 100 L HA 0.028 4.368 4.340 -0.000 0.000 0.284 100 L C 1.102 177.990 176.870 0.031 0.000 1.120 100 L CA 0.083 54.943 54.840 0.032 0.000 0.879 100 L CB 0.006 42.067 42.059 0.002 0.000 1.232 100 L HN 0.409 nan 8.230 nan 0.000 0.454 101 L N 4.350 125.606 121.223 0.055 0.000 2.109 101 L HA 0.201 4.541 4.340 -0.000 0.000 0.207 101 L C 1.091 178.004 176.870 0.071 0.000 1.086 101 L CA 0.777 55.649 54.840 0.053 0.000 0.760 101 L CB -0.516 41.581 42.059 0.062 0.000 0.910 101 L HN 0.803 nan 8.230 nan 0.000 0.437 102 G N -0.515 108.344 108.800 0.099 0.000 2.596 102 G HA2 0.264 4.224 3.960 -0.000 0.000 0.296 102 G HA3 0.264 4.224 3.960 -0.000 0.000 0.296 102 G C -1.797 173.173 174.900 0.116 0.000 1.513 102 G CA -0.551 44.624 45.100 0.125 0.000 0.851 102 G HN -0.236 nan 8.290 nan 0.000 0.548 103 K N 1.338 121.665 120.400 -0.122 0.000 2.535 103 K HA 0.508 4.828 4.320 -0.000 0.000 0.253 103 K C -1.275 175.180 176.600 -0.241 0.000 0.953 103 K CA -0.546 55.682 56.287 -0.098 0.000 0.863 103 K CB 0.991 33.368 32.500 -0.206 0.000 1.111 103 K HN 0.721 nan 8.250 nan 0.000 0.431 104 H N 0.375 119.468 119.070 0.038 0.000 2.747 104 H HA 0.541 5.097 4.556 -0.000 0.000 0.371 104 H C -0.050 175.441 175.328 0.271 0.000 1.161 104 H CA -0.305 55.787 56.048 0.073 0.000 1.167 104 H CB 1.513 31.230 29.762 -0.075 0.000 1.732 104 H HN 0.831 nan 8.280 nan 0.000 0.544 105 c N -0.337 118.512 118.600 0.415 0.000 3.251 105 c HA 0.935 5.505 4.570 -0.000 0.000 0.376 105 c C 0.927 175.302 174.090 0.476 0.000 1.791 105 c CA -0.009 56.610 56.329 0.483 0.000 1.163 105 c CB 0.811 43.545 42.510 0.373 0.000 2.128 105 c HN 1.255 nan 8.230 nan 0.000 0.429 106 G N 1.208 110.241 108.800 0.388 0.000 2.562 106 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.250 106 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.250 106 G C -0.188 174.971 174.900 0.431 0.000 1.269 106 G CA 0.560 45.854 45.100 0.323 0.000 0.919 106 G HN 1.274 nan 8.290 nan 0.000 0.574 107 N N -0.208 118.691 118.700 0.331 0.000 2.205 107 N HA 0.329 5.069 4.740 -0.000 0.000 0.201 107 N C 0.235 175.921 175.510 0.293 0.000 1.128 107 N CA -0.099 53.164 53.050 0.355 0.000 0.867 107 N CB 0.747 39.362 38.487 0.213 0.000 0.996 107 N HN 0.445 nan 8.380 nan 0.000 0.503 108 I N 1.604 122.259 120.570 0.141 0.000 2.328 108 I HA 0.327 4.497 4.170 -0.000 0.000 0.287 108 I C 0.178 175.989 176.117 -0.509 0.000 1.012 108 I CA -0.847 60.400 61.300 -0.088 0.000 1.195 108 I CB 1.073 39.044 38.000 -0.049 0.000 1.350 108 I HN -0.002 nan 8.210 nan 0.000 0.464 109 A N 8.559 130.987 122.820 -0.653 0.000 2.483 109 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 109 A C -2.232 174.828 177.584 -0.872 0.000 1.070 109 A CA -0.777 50.589 52.037 -1.118 0.000 0.770 109 A CB -0.525 18.203 19.000 -0.454 0.000 1.008 109 A HN 0.432 nan 8.150 nan 0.000 0.497 110 P HA 0.160 nan 4.420 nan 0.000 0.269 110 P C -2.289 174.735 177.300 -0.460 0.000 1.211 110 P CA -0.570 61.886 63.100 -1.073 0.000 0.781 110 P CB -0.163 30.596 31.700 -1.568 0.000 0.877 111 P HA 0.073 nan 4.420 nan 0.000 0.276 111 P C -0.542 176.742 177.300 -0.027 0.000 1.252 111 P CA -0.146 62.896 63.100 -0.096 0.000 0.802 111 P CB 0.225 31.890 31.700 -0.058 0.000 1.035 112 T N 1.509 116.066 114.554 0.005 0.000 2.923 112 T HA 0.071 4.421 4.350 -0.000 0.000 0.304 112 T C 0.505 175.202 174.700 -0.005 0.000 1.044 112 T CA 0.867 62.977 62.100 0.017 0.000 1.141 112 T CB -0.571 68.293 68.868 -0.006 0.000 1.023 112 T HN 0.205 nan 8.240 nan 0.000 0.533 113 I N 3.894 124.467 120.570 0.004 0.000 2.466 113 I HA 0.470 4.640 4.170 -0.000 0.000 0.289 113 I C -0.312 175.763 176.117 -0.070 0.000 1.026 113 I CA -0.669 60.621 61.300 -0.016 0.000 1.078 113 I CB 1.670 39.696 38.000 0.043 0.000 1.249 113 I HN 0.477 nan 8.210 nan 0.000 0.429 114 I N 4.349 124.840 120.570 -0.131 0.000 2.474 114 I HA 0.271 4.441 4.170 -0.000 0.000 0.294 114 I C 0.369 176.404 176.117 -0.136 0.000 1.005 114 I CA -0.485 60.682 61.300 -0.221 0.000 1.113 114 I CB 2.105 39.821 38.000 -0.474 0.000 1.289 114 I HN 0.485 nan 8.210 nan 0.000 0.436 115 S N 2.571 118.217 115.700 -0.091 0.000 2.572 115 S HA 0.050 4.520 4.470 -0.000 0.000 0.279 115 S C 1.257 175.840 174.600 -0.030 0.000 1.341 115 S CA 0.070 58.252 58.200 -0.031 0.000 1.043 115 S CB 0.792 63.994 63.200 0.004 0.000 0.887 115 S HN 0.778 nan 8.310 nan 0.000 0.516 116 S N 3.515 119.212 115.700 -0.005 0.000 2.458 116 S HA 0.260 4.729 4.470 -0.000 0.000 0.223 116 S C 1.060 175.676 174.600 0.027 0.000 1.019 116 S CA 0.320 58.524 58.200 0.007 0.000 0.937 116 S CB -0.421 62.785 63.200 0.009 0.000 0.788 116 S HN 0.823 nan 8.310 nan 0.000 0.511 117 G N 1.106 109.922 108.800 0.027 0.000 2.940 117 G HA2 0.461 4.421 3.960 -0.000 0.000 0.164 117 G HA3 0.461 4.421 3.960 -0.000 0.000 0.164 117 G C 0.283 175.201 174.900 0.031 0.000 1.326 117 G CA 0.133 45.249 45.100 0.027 0.000 1.020 117 G HN 0.670 nan 8.290 nan 0.000 0.586 118 S N -1.146 114.568 115.700 0.024 0.000 2.664 118 S HA 0.518 4.988 4.470 -0.000 0.000 0.245 118 S C 0.208 174.836 174.600 0.046 0.000 1.019 118 S CA -0.336 57.882 58.200 0.031 0.000 0.996 118 S CB -0.217 62.995 63.200 0.020 0.000 0.878 118 S HN 0.314 nan 8.310 nan 0.000 0.493 119 M N 1.572 121.199 119.600 0.046 0.000 2.378 119 M HA 0.509 4.989 4.480 -0.000 0.000 0.289 119 M C -1.648 174.693 176.300 0.068 0.000 1.136 119 M CA -0.343 54.999 55.300 0.070 0.000 0.917 119 M CB 2.525 35.161 32.600 0.060 0.000 1.669 119 M HN 0.152 nan 8.290 nan 0.000 0.461 120 L N 1.720 122.988 121.223 0.074 0.000 2.333 120 L HA 0.600 4.940 4.340 -0.000 0.000 0.269 120 L C -1.403 175.568 176.870 0.169 0.000 1.010 120 L CA -0.921 53.977 54.840 0.097 0.000 0.818 120 L CB 2.243 44.331 42.059 0.049 0.000 1.306 120 L HN 0.601 nan 8.230 nan 0.000 0.430 121 Y N 2.843 123.185 120.300 0.070 0.000 2.341 121 Y HA 0.674 5.224 4.550 0.000 0.000 0.338 121 Y C -0.934 175.052 175.900 0.144 0.000 0.965 121 Y CA -0.663 57.501 58.100 0.105 0.000 1.108 121 Y CB 1.142 39.653 38.460 0.085 0.000 1.180 121 Y HN 0.326 nan 8.280 nan 0.000 0.458 122 I N 6.767 127.129 120.570 -0.347 0.000 2.465 122 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 122 I C -0.941 175.016 176.117 -0.266 0.000 1.014 122 I CA -0.989 60.209 61.300 -0.170 0.000 1.093 122 I CB 1.971 40.000 38.000 0.047 0.000 1.267 122 I HN 0.519 nan 8.210 nan 0.000 0.431 123 K N 6.343 126.692 120.400 -0.084 0.000 2.502 123 K HA 0.391 4.711 4.320 -0.000 0.000 0.254 123 K C -1.776 175.002 176.600 0.297 0.000 0.947 123 K CA -0.536 55.797 56.287 0.077 0.000 0.834 123 K CB 1.633 34.188 32.500 0.090 0.000 1.112 123 K HN 0.429 nan 8.250 nan 0.000 0.427 124 F N 3.173 123.270 119.950 0.245 0.000 2.410 124 F HA 0.375 4.902 4.527 0.000 0.000 0.349 124 F C -0.619 175.170 175.800 -0.019 0.000 1.117 124 F CA 0.030 58.130 58.000 0.166 0.000 1.104 124 F CB 1.371 40.623 39.000 0.420 0.000 1.122 124 F HN 0.353 nan 8.300 nan 0.000 0.483 125 T N 4.434 118.490 114.554 -0.830 0.000 2.855 125 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 125 T C -0.945 173.065 174.700 -1.150 0.000 1.007 125 T CA -0.690 60.869 62.100 -0.903 0.000 1.009 125 T CB 1.530 69.794 68.868 -1.007 0.000 0.983 125 T HN 0.577 nan 8.240 nan 0.000 0.455 126 S N 1.346 116.641 115.700 -0.675 0.000 2.549 126 S HA 0.719 5.189 4.470 -0.000 0.000 0.280 126 S C -1.805 172.731 174.600 -0.108 0.000 1.109 126 S CA -0.598 57.386 58.200 -0.359 0.000 0.905 126 S CB 1.636 64.746 63.200 -0.151 0.000 1.081 126 S HN 0.802 nan 8.310 nan 0.000 0.477 132 G N 1.233 109.840 108.800 -0.321 0.000 2.653 132 G HA2 0.477 4.437 3.960 -0.000 0.000 0.656 132 G HA3 0.477 4.437 3.960 -0.000 0.000 0.656 132 G C 0.147 175.023 174.900 -0.039 0.000 1.419 132 G CA -0.113 44.920 45.100 -0.112 0.000 0.862 132 G HN 1.304 nan 8.290 nan 0.000 0.639 133 A N 0.308 123.157 122.820 0.049 0.000 2.070 133 A HA 0.536 4.856 4.320 -0.000 0.000 0.220 133 A C 2.524 180.227 177.584 0.198 0.000 1.159 133 A CA 2.710 54.760 52.037 0.022 0.000 0.656 133 A CB -0.736 18.212 19.000 -0.086 0.000 0.800 133 A HN 3.022 nan 8.150 nan 0.000 0.453 134 G N -1.530 107.476 108.800 0.343 0.000 2.484 134 G HA2 0.092 4.052 3.960 -0.000 0.000 0.225 134 G HA3 0.092 4.052 3.960 -0.000 0.000 0.225 134 G C -0.142 174.833 174.900 0.125 0.000 1.250 134 G CA -0.032 45.204 45.100 0.227 0.000 0.926 134 G HN 1.745 nan 8.290 nan 0.000 0.581 135 F N -1.089 118.775 119.950 -0.143 0.000 2.643 135 F HA 0.903 5.430 4.527 -0.000 0.000 0.314 135 F C -0.238 175.169 175.800 -0.654 0.000 1.096 135 F CA -0.486 57.401 58.000 -0.189 0.000 0.953 135 F CB 1.894 40.861 39.000 -0.055 0.000 1.345 135 F HN 1.201 nan 8.300 nan 0.000 0.468 136 S N 2.022 117.444 115.700 -0.464 0.000 2.547 136 S HA 0.833 5.303 4.470 -0.000 0.000 0.281 136 S C -1.495 173.056 174.600 -0.082 0.000 1.118 136 S CA -0.596 57.264 58.200 -0.566 0.000 0.947 136 S CB 1.305 63.974 63.200 -0.885 0.000 1.053 136 S HN 1.133 nan 8.310 nan 0.000 0.482 137 L N 1.910 123.026 121.223 -0.178 0.000 2.350 137 L HA 0.838 5.178 4.340 -0.000 0.000 0.260 137 L C -0.675 176.071 176.870 -0.207 0.000 1.015 137 L CA -0.913 53.720 54.840 -0.345 0.000 0.821 137 L CB 1.415 42.937 42.059 -0.894 0.000 1.370 137 L HN 0.597 nan 8.230 nan 0.000 0.416 138 R N 0.771 121.116 120.500 -0.259 0.000 2.532 138 R HA 0.669 5.009 4.340 -0.000 0.000 0.295 138 R C -1.475 174.665 176.300 -0.266 0.000 0.968 138 R CA -0.574 55.308 56.100 -0.362 0.000 0.916 138 R CB 1.610 31.698 30.300 -0.352 0.000 1.124 138 R HN 0.776 nan 8.270 nan 0.000 0.463 139 Y N -0.895 119.247 120.300 -0.263 0.000 2.524 139 Y HA 0.685 5.235 4.550 0.000 0.000 0.344 139 Y C -0.505 175.297 175.900 -0.163 0.000 1.012 139 Y CA -1.211 56.771 58.100 -0.196 0.000 1.068 139 Y CB 1.468 39.820 38.460 -0.180 0.000 1.249 139 Y HN 0.731 nan 8.280 nan 0.000 0.468 140 E N 1.923 122.191 120.200 0.113 0.000 2.439 140 E HA 0.462 4.812 4.350 -0.000 0.000 0.279 140 E C -1.585 175.064 176.600 0.082 0.000 1.077 140 E CA -1.291 55.148 56.400 0.064 0.000 0.849 140 E CB 1.760 31.435 29.700 -0.041 0.000 1.408 140 E HN 0.798 nan 8.360 nan 0.000 0.457 141 I N -0.804 119.793 120.570 0.044 0.000 2.529 141 I HA 0.477 4.647 4.170 -0.000 0.000 0.284 141 I C -0.685 175.483 176.117 0.085 0.000 1.082 141 I CA -0.256 61.075 61.300 0.051 0.000 1.406 141 I CB 0.333 38.334 38.000 0.002 0.000 1.405 141 I HN 0.489 nan 8.210 nan 0.000 0.548 142 F N 6.084 126.023 119.950 -0.018 0.000 2.422 142 F HA 0.580 5.107 4.527 -0.000 0.000 0.333 142 F C -0.044 175.749 175.800 -0.011 0.000 1.095 142 F CA -0.532 57.460 58.000 -0.014 0.000 1.038 142 F CB 1.063 40.058 39.000 -0.008 0.000 1.156 142 F HN 0.563 nan 8.300 nan 0.000 0.483 143 K N 3.143 123.110 120.400 -0.722 0.000 2.358 143 K HA 0.230 4.550 4.320 -0.000 0.000 0.260 143 K C 0.529 176.874 176.600 -0.426 0.000 0.956 143 K CA -0.145 55.907 56.287 -0.391 0.000 0.834 143 K CB 1.529 33.846 32.500 -0.304 0.000 1.102 143 K HN 0.827 nan 8.250 nan 0.000 0.431 144 T N -0.205 114.295 114.554 -0.090 0.000 3.035 144 T HA 0.150 4.499 4.350 -0.000 0.000 0.259 144 T C 1.326 176.021 174.700 -0.008 0.000 1.078 144 T CA 0.778 62.896 62.100 0.030 0.000 1.132 144 T CB 0.095 69.034 68.868 0.118 0.000 0.900 144 T HN 0.819 nan 8.240 nan 0.000 0.480 145 G N 1.590 110.370 108.800 -0.034 0.000 2.234 145 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.235 145 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.235 145 G C 0.473 175.373 174.900 0.001 0.000 0.997 145 G CA 0.396 45.481 45.100 -0.024 0.000 0.623 145 G HN 1.418 nan 8.290 nan 0.000 0.514 146 S N 0.735 116.445 115.700 0.018 0.000 2.542 146 S HA 0.319 4.789 4.470 -0.000 0.000 0.287 146 S C 0.486 175.098 174.600 0.021 0.000 1.315 146 S CA 0.836 59.053 58.200 0.028 0.000 1.037 146 S CB 0.808 64.032 63.200 0.040 0.000 0.822 146 S HN 0.671 nan 8.310 nan 0.000 0.513 147 E N 0.878 121.095 120.200 0.029 0.000 2.397 147 E HA 0.176 4.526 4.350 -0.000 0.000 0.254 147 E C -0.794 175.819 176.600 0.021 0.000 1.231 147 E CA -0.296 56.120 56.400 0.026 0.000 0.954 147 E CB 0.209 29.934 29.700 0.041 0.000 1.024 147 E HN 0.672 nan 8.360 nan 0.000 0.481 148 D N 0.260 120.669 120.400 0.016 0.000 3.088 148 D HA 0.086 4.726 4.640 -0.000 0.000 0.310 148 D C 0.585 176.894 176.300 0.015 0.000 1.351 148 D CA -0.161 53.843 54.000 0.008 0.000 0.921 148 D CB -0.308 40.490 40.800 -0.002 0.000 1.045 148 D HN 0.487 nan 8.370 nan 0.000 0.504 149 c N -1.372 117.249 118.600 0.034 0.000 2.397 149 c HA -0.105 4.465 4.570 -0.000 0.000 0.286 149 c C 1.222 175.347 174.090 0.057 0.000 1.308 149 c CA -0.547 55.825 56.329 0.071 0.000 1.805 149 c CB -1.231 41.350 42.510 0.118 0.000 1.952 149 c HN 0.213 nan 8.230 nan 0.000 0.518 150 S N 2.280 117.961 115.700 -0.032 0.000 2.673 150 S HA 0.126 4.596 4.470 -0.000 0.000 0.308 150 S C 0.137 174.744 174.600 0.011 0.000 1.246 150 S CA 0.698 58.850 58.200 -0.079 0.000 1.077 150 S CB -0.067 63.086 63.200 -0.078 0.000 0.814 150 S HN 0.652 nan 8.310 nan 0.000 0.503 151 K N 3.205 123.670 120.400 0.110 0.000 2.244 151 K HA 0.354 4.674 4.320 -0.000 0.000 0.260 151 K C -0.530 176.010 176.600 -0.100 0.000 0.951 151 K CA -0.976 55.287 56.287 -0.040 0.000 0.826 151 K CB 0.995 33.416 32.500 -0.132 0.000 1.108 151 K HN 0.365 nan 8.250 nan 0.000 0.433 152 N N 1.252 119.829 118.700 -0.205 0.000 2.493 152 N HA 0.404 5.144 4.740 -0.000 0.000 0.275 152 N C -1.049 174.211 175.510 -0.416 0.000 1.186 152 N CA -0.031 52.938 53.050 -0.136 0.000 0.978 152 N CB 0.414 38.867 38.487 -0.058 0.000 1.184 152 N HN 0.327 nan 8.380 nan 0.000 0.487 153 F N -0.703 119.254 119.950 0.011 0.000 2.562 153 F HA 0.291 4.818 4.527 -0.000 0.000 0.319 153 F C 1.119 176.935 175.800 0.027 0.000 1.154 153 F CA -0.583 57.426 58.000 0.015 0.000 0.931 153 F CB 2.000 40.932 39.000 -0.113 0.000 1.198 153 F HN 0.334 nan 8.300 nan 0.000 0.444 154 T N -0.536 114.153 114.554 0.225 0.000 3.034 154 T HA -0.013 4.337 4.350 -0.000 0.000 0.248 154 T C 0.906 175.747 174.700 0.234 0.000 1.040 154 T CA 0.165 62.370 62.100 0.174 0.000 1.107 154 T CB 0.193 69.120 68.868 0.098 0.000 0.932 154 T HN 0.441 nan 8.240 nan 0.000 0.474 155 S N 2.114 117.990 115.700 0.293 0.000 2.558 155 S HA 0.064 4.534 4.470 -0.000 0.000 0.288 155 S C -1.550 173.156 174.600 0.178 0.000 1.318 155 S CA -1.218 57.105 58.200 0.206 0.000 1.056 155 S CB 0.822 64.124 63.200 0.171 0.000 0.853 155 S HN 0.009 nan 8.310 nan 0.000 0.505 156 P HA -0.063 nan 4.420 nan 0.000 0.214 156 P C -0.043 177.182 177.300 -0.125 0.000 1.162 156 P CA 1.039 64.166 63.100 0.044 0.000 0.879 156 P CB -0.059 31.670 31.700 0.048 0.000 0.786 157 N N 0.053 118.655 118.700 -0.163 0.000 3.091 157 N HA 0.235 4.975 4.740 -0.000 0.000 0.255 157 N C -0.010 175.236 175.510 -0.441 0.000 1.204 157 N CA -0.277 52.586 53.050 -0.312 0.000 0.990 157 N CB 0.535 38.982 38.487 -0.065 0.000 1.260 157 N HN -0.067 nan 8.380 nan 0.000 0.502 158 G N -0.015 108.272 108.800 -0.854 0.000 2.461 158 G HA2 0.615 4.575 3.960 -0.000 0.000 0.329 158 G HA3 0.615 4.575 3.960 -0.000 0.000 0.329 158 G C -0.466 174.066 174.900 -0.613 0.000 1.170 158 G CA -0.464 44.315 45.100 -0.535 0.000 0.935 158 G HN 0.456 nan 8.290 nan 0.000 0.492 159 T N -2.277 112.128 114.554 -0.247 0.000 2.906 159 T HA 0.695 5.045 4.350 -0.000 0.000 0.295 159 T C -0.759 173.799 174.700 -0.237 0.000 1.075 159 T CA -0.641 61.295 62.100 -0.273 0.000 1.005 159 T CB 1.722 70.444 68.868 -0.244 0.000 1.136 159 T HN 1.389 nan 8.240 nan 0.000 0.498 160 I N -0.682 119.677 120.570 -0.352 0.000 2.802 160 I HA 0.901 5.071 4.170 -0.000 0.000 0.298 160 I C -1.179 174.666 176.117 -0.453 0.000 1.176 160 I CA -0.796 60.263 61.300 -0.401 0.000 1.025 160 I CB 2.374 40.008 38.000 -0.609 0.000 1.243 160 I HN 1.134 nan 8.210 nan 0.000 0.424 161 E N 2.645 122.481 120.200 -0.607 0.000 2.429 161 E HA 0.459 4.808 4.350 -0.000 0.000 0.280 161 E C -1.632 174.321 176.600 -1.078 0.000 1.068 161 E CA -0.971 54.852 56.400 -0.962 0.000 0.837 161 E CB 1.264 30.479 29.700 -0.809 0.000 1.357 161 E HN 0.719 nan 8.360 nan 0.000 0.455 162 S N 0.906 115.704 115.700 -1.505 0.000 2.465 162 S HA 0.274 4.744 4.470 -0.000 0.000 0.280 162 S C -2.218 172.270 174.600 -0.186 0.000 1.232 162 S CA -1.044 56.678 58.200 -0.798 0.000 1.066 162 S CB -0.203 62.444 63.200 -0.922 0.000 0.929 162 S HN 0.325 nan 8.310 nan 0.000 0.494 163 P HA 0.156 nan 4.420 nan 0.000 0.264 163 P C 1.235 178.608 177.300 0.122 0.000 1.173 163 P CA 1.463 64.629 63.100 0.110 0.000 0.761 163 P CB -0.014 31.796 31.700 0.182 0.000 0.794 164 G N 1.727 110.584 108.800 0.096 0.000 2.195 164 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.246 164 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.246 164 G C 0.107 175.046 174.900 0.065 0.000 0.984 164 G CA -0.412 44.730 45.100 0.072 0.000 0.633 164 G HN 0.550 nan 8.290 nan 0.000 0.525 165 F N 3.396 123.310 119.950 -0.060 0.000 2.572 165 F HA 0.457 4.984 4.527 -0.000 0.000 0.370 165 F C 0.236 176.000 175.800 -0.060 0.000 1.103 165 F CA -0.635 57.316 58.000 -0.082 0.000 1.286 165 F CB 0.994 39.897 39.000 -0.162 0.000 1.105 165 F HN -0.010 nan 8.300 nan 0.000 0.583 166 P HA -0.047 nan 4.420 nan 0.000 0.236 166 P C -0.307 176.637 177.300 -0.594 0.000 1.177 166 P CA 0.380 62.694 63.100 -1.310 0.000 0.773 166 P CB -0.230 30.912 31.700 -0.930 0.000 0.878 167 E N 0.957 120.985 120.200 -0.286 0.000 2.421 167 E HA 0.112 4.462 4.350 -0.000 0.000 0.253 167 E C -0.266 176.275 176.600 -0.098 0.000 1.277 167 E CA -0.663 55.639 56.400 -0.163 0.000 0.968 167 E CB 0.452 30.086 29.700 -0.110 0.000 1.040 167 E HN -0.099 nan 8.360 nan 0.000 0.512 168 K N 0.512 120.854 120.400 -0.097 0.000 2.469 168 K HA 0.002 4.322 4.320 -0.000 0.000 0.274 168 K C -0.636 175.927 176.600 -0.061 0.000 0.983 168 K CA 0.029 56.238 56.287 -0.129 0.000 0.974 168 K CB 0.012 32.394 32.500 -0.196 0.000 0.913 168 K HN 0.419 nan 8.250 nan 0.000 0.493 169 Y N 0.283 120.617 120.300 0.057 0.000 2.304 169 Y HA 0.352 4.902 4.550 -0.000 0.000 0.328 169 Y C -2.392 173.526 175.900 0.030 0.000 1.123 169 Y CA -3.592 54.570 58.100 0.103 0.000 1.218 169 Y CB -0.375 38.245 38.460 0.266 0.000 1.207 169 Y HN 0.436 nan 8.280 nan 0.000 0.495 170 P HA -0.026 nan 4.420 nan 0.000 0.271 170 P C -0.414 176.921 177.300 0.059 0.000 1.233 170 P CA 0.327 63.414 63.100 -0.021 0.000 0.795 170 P CB 0.439 32.163 31.700 0.041 0.000 0.936 171 H N 0.050 119.154 119.070 0.057 0.000 2.546 171 H HA 0.174 4.730 4.556 -0.000 0.000 0.365 171 H C 0.428 175.745 175.328 -0.018 0.000 1.220 171 H CA -0.355 55.702 56.048 0.015 0.000 1.386 171 H CB -0.561 29.198 29.762 -0.005 0.000 1.510 171 H HN 0.434 nan 8.280 nan 0.000 0.591 172 N N -0.294 118.438 118.700 0.053 0.000 2.669 172 N HA -0.234 4.506 4.740 -0.000 0.000 0.266 172 N C -1.312 174.188 175.510 -0.017 0.000 1.024 172 N CA -0.033 53.006 53.050 -0.018 0.000 0.766 172 N CB -0.734 37.778 38.487 0.040 0.000 0.898 172 N HN 0.202 nan 8.380 nan 0.000 0.548 173 L N 1.004 122.166 121.223 -0.102 0.000 2.333 173 L HA 0.455 4.795 4.340 -0.000 0.000 0.280 173 L C -0.804 176.037 176.870 -0.050 0.000 1.004 173 L CA -0.368 54.442 54.840 -0.051 0.000 0.820 173 L CB 1.588 43.625 42.059 -0.036 0.000 1.247 173 L HN 0.107 nan 8.230 nan 0.000 0.416 174 D N 3.921 124.345 120.400 0.039 0.000 2.420 174 D HA 0.270 4.910 4.640 -0.000 0.000 0.255 174 D C -1.240 175.089 176.300 0.048 0.000 1.185 174 D CA 0.024 54.070 54.000 0.077 0.000 0.904 174 D CB 1.504 42.360 40.800 0.093 0.000 1.102 174 D HN 0.374 nan 8.370 nan 0.000 0.534 175 c N 1.657 120.283 118.600 0.044 0.000 2.563 175 c HA 0.711 5.281 4.570 -0.000 0.000 0.314 175 c C -0.075 173.880 174.090 -0.226 0.000 1.199 175 c CA -0.282 55.979 56.329 -0.113 0.000 1.564 175 c CB 1.163 43.587 42.510 -0.144 0.000 2.173 175 c HN 0.666 nan 8.230 nan 0.000 0.485 176 T N 1.986 116.339 114.554 -0.335 0.000 2.815 176 T HA 0.677 5.027 4.350 -0.000 0.000 0.289 176 T C -0.996 173.526 174.700 -0.297 0.000 1.000 176 T CA -0.300 61.672 62.100 -0.213 0.000 0.958 176 T CB 0.354 69.200 68.868 -0.037 0.000 0.944 176 T HN 0.420 nan 8.240 nan 0.000 0.442 177 F N 2.052 122.156 119.950 0.256 0.000 2.411 177 F HA 0.534 5.061 4.527 -0.000 0.000 0.352 177 F C 0.877 176.818 175.800 0.234 0.000 1.123 177 F CA -0.819 57.358 58.000 0.294 0.000 1.044 177 F CB 1.998 41.193 39.000 0.324 0.000 1.135 177 F HN 0.484 nan 8.300 nan 0.000 0.461 178 T N 5.034 119.819 114.554 0.385 0.000 2.807 178 T HA 0.593 4.943 4.350 -0.000 0.000 0.279 178 T C -0.291 174.546 174.700 0.229 0.000 0.993 178 T CA -0.508 61.732 62.100 0.233 0.000 0.970 178 T CB 1.055 70.005 68.868 0.138 0.000 0.950 178 T HN 0.317 nan 8.240 nan 0.000 0.441 179 I N 4.147 124.756 120.570 0.065 0.000 2.339 179 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 179 I C -0.559 175.548 176.117 -0.016 0.000 0.994 179 I CA -0.732 60.526 61.300 -0.071 0.000 1.191 179 I CB 1.186 38.974 38.000 -0.354 0.000 1.343 179 I HN 0.313 nan 8.210 nan 0.000 0.458 180 L N 6.077 127.310 121.223 0.016 0.000 2.325 180 L HA 0.837 5.177 4.340 -0.000 0.000 0.278 180 L C 0.024 176.912 176.870 0.030 0.000 1.023 180 L CA -0.424 54.431 54.840 0.026 0.000 0.811 180 L CB 1.781 43.862 42.059 0.037 0.000 1.249 180 L HN 0.689 nan 8.230 nan 0.000 0.431 181 A N 2.820 125.655 122.820 0.025 0.000 2.435 181 A HA 0.588 4.908 4.320 -0.000 0.000 0.304 181 A C -0.875 176.725 177.584 0.027 0.000 1.064 181 A CA -0.735 51.322 52.037 0.033 0.000 0.727 181 A CB 1.591 20.603 19.000 0.020 0.000 1.284 181 A HN 0.664 nan 8.150 nan 0.000 0.415 182 K N 1.648 122.071 120.400 0.038 0.000 2.258 182 K HA 0.333 4.653 4.320 -0.000 0.000 0.264 182 K C -1.475 175.134 176.600 0.016 0.000 1.007 182 K CA -1.441 54.867 56.287 0.034 0.000 0.941 182 K CB 0.483 33.014 32.500 0.053 0.000 0.966 182 K HN 0.380 nan 8.250 nan 0.000 0.480 183 P HA -0.288 nan 4.420 nan 0.000 0.220 183 P C -0.667 176.606 177.300 -0.045 0.000 0.885 183 P CA 2.034 65.130 63.100 -0.007 0.000 1.045 183 P CB 0.058 31.765 31.700 0.012 0.000 0.724 184 K N -1.110 119.247 120.400 -0.071 0.000 3.101 184 K HA 0.318 4.638 4.320 -0.000 0.000 0.229 184 K C 0.147 176.603 176.600 -0.240 0.000 1.232 184 K CA 0.027 56.202 56.287 -0.186 0.000 1.210 184 K CB -0.133 32.194 32.500 -0.288 0.000 1.284 184 K HN 0.233 nan 8.250 nan 0.000 0.448 185 M N 1.143 120.674 119.600 -0.114 0.000 2.151 185 M HA 0.260 4.740 4.480 -0.000 0.000 0.290 185 M C -0.715 175.555 176.300 -0.051 0.000 0.965 185 M CA -0.444 54.817 55.300 -0.065 0.000 0.930 185 M CB 2.144 34.757 32.600 0.023 0.000 1.560 185 M HN 0.113 nan 8.290 nan 0.000 0.438 186 E N 3.087 123.252 120.200 -0.059 0.000 2.313 186 E HA 0.413 4.762 4.350 -0.000 0.000 0.276 186 E C -0.695 175.903 176.600 -0.003 0.000 1.031 186 E CA -0.281 56.083 56.400 -0.061 0.000 0.857 186 E CB 1.692 31.342 29.700 -0.084 0.000 1.040 186 E HN 0.556 nan 8.360 nan 0.000 0.408 187 I N 4.378 124.942 120.570 -0.010 0.000 2.371 187 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 187 I C 0.066 176.215 176.117 0.053 0.000 1.028 187 I CA -0.155 61.171 61.300 0.043 0.000 1.345 187 I CB 0.426 38.427 38.000 0.001 0.000 1.407 187 I HN 0.300 nan 8.210 nan 0.000 0.501 188 I N 7.193 127.835 120.570 0.121 0.000 2.377 188 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 188 I C -0.754 175.433 176.117 0.117 0.000 0.987 188 I CA -0.682 60.693 61.300 0.124 0.000 1.185 188 I CB 1.886 39.992 38.000 0.178 0.000 1.341 188 I HN 0.357 nan 8.210 nan 0.000 0.455 189 L N 7.801 129.066 121.223 0.071 0.000 2.446 189 L HA 0.428 4.768 4.340 -0.000 0.000 0.268 189 L C -0.781 176.092 176.870 0.005 0.000 0.975 189 L CA -0.000 54.836 54.840 -0.006 0.000 0.848 189 L CB 1.402 43.461 42.059 0.000 0.000 1.225 189 L HN 0.656 nan 8.230 nan 0.000 0.410 190 Q N 2.933 122.678 119.800 -0.091 0.000 2.496 190 Q HA 0.673 5.013 4.340 -0.000 0.000 0.286 190 Q C -1.549 174.331 176.000 -0.200 0.000 1.103 190 Q CA -0.839 54.965 55.803 0.002 0.000 0.813 190 Q CB 2.351 31.120 28.738 0.052 0.000 1.444 190 Q HN 0.426 nan 8.270 nan 0.000 0.443 191 F N 0.276 120.177 119.950 -0.082 0.000 2.520 191 F HA 0.336 4.863 4.527 -0.000 0.000 0.322 191 F C 0.181 175.968 175.800 -0.021 0.000 1.103 191 F CA -0.777 57.184 58.000 -0.066 0.000 0.926 191 F CB 1.664 40.595 39.000 -0.115 0.000 1.154 191 F HN 0.459 nan 8.300 nan 0.000 0.453 192 L N 3.007 124.304 121.223 0.123 0.000 2.200 192 L HA 0.300 4.640 4.340 -0.000 0.000 0.200 192 L C 0.236 177.201 176.870 0.158 0.000 1.072 192 L CA 0.883 55.782 54.840 0.099 0.000 0.787 192 L CB -0.046 42.035 42.059 0.036 0.000 0.957 192 L HN 0.422 nan 8.230 nan 0.000 0.459 193 I N -5.077 115.620 120.570 0.211 0.000 2.894 193 I HA 0.484 4.654 4.170 -0.000 0.000 0.302 193 I C -1.539 174.816 176.117 0.396 0.000 1.188 193 I CA -0.913 60.546 61.300 0.265 0.000 1.014 193 I CB 2.749 40.900 38.000 0.252 0.000 1.242 193 I HN -0.139 nan 8.210 nan 0.000 0.430 194 F N 2.476 122.532 119.950 0.177 0.000 3.055 194 F HA 0.478 5.005 4.527 -0.000 0.000 0.358 194 F C -2.042 173.855 175.800 0.161 0.000 1.262 194 F CA -0.075 58.028 58.000 0.172 0.000 1.172 194 F CB 1.206 40.226 39.000 0.032 0.000 1.503 194 F HN 0.544 nan 8.300 nan 0.000 0.621 195 D N 6.458 126.804 120.400 -0.091 0.000 2.686 195 D HA 0.769 5.409 4.640 -0.000 0.000 0.249 195 D C -1.390 174.904 176.300 -0.010 0.000 1.260 195 D CA -0.009 54.003 54.000 0.020 0.000 0.910 195 D CB 1.960 42.826 40.800 0.110 0.000 1.323 195 D HN 0.567 nan 8.370 nan 0.000 0.561 211 D N 0.055 120.585 120.400 0.216 0.000 2.498 211 D HA 0.496 5.136 4.640 -0.000 0.000 0.247 211 D C -1.313 175.110 176.300 0.206 0.000 1.070 211 D CA 0.033 53.985 54.000 -0.080 0.000 0.842 211 D CB 1.817 42.629 40.800 0.019 0.000 1.361 211 D HN 0.375 nan 8.370 nan 0.000 0.484 212 W N 1.286 122.677 121.300 0.152 0.000 3.066 212 W HA 0.653 5.313 4.660 -0.000 0.000 0.330 212 W C -2.439 174.305 176.519 0.375 0.000 1.253 212 W CA -1.249 56.256 57.345 0.266 0.000 1.187 212 W CB 0.600 30.200 29.460 0.233 0.000 1.434 212 W HN 0.265 nan 8.180 nan 0.000 0.572 213 L N 3.361 125.047 121.223 0.772 0.000 2.381 213 L HA 0.664 5.004 4.340 -0.000 0.000 0.274 213 L C -1.394 175.747 176.870 0.451 0.000 0.988 213 L CA -0.304 54.915 54.840 0.631 0.000 0.824 213 L CB 1.399 43.739 42.059 0.469 0.000 1.263 213 L HN 0.561 nan 8.230 nan 0.000 0.410 214 D N 4.158 124.771 120.400 0.354 0.000 2.575 214 D HA 0.551 5.191 4.640 -0.000 0.000 0.236 214 D C -0.741 175.489 176.300 -0.117 0.000 1.075 214 D CA -0.324 53.685 54.000 0.015 0.000 0.860 214 D CB 1.743 42.378 40.800 -0.275 0.000 1.475 214 D HN 0.376 nan 8.370 nan 0.000 0.474 215 I N 0.793 121.200 120.570 -0.272 0.000 2.412 215 I HA 0.476 4.646 4.170 -0.000 0.000 0.296 215 I C -0.853 175.037 176.117 -0.379 0.000 0.987 215 I CA -0.810 60.401 61.300 -0.149 0.000 1.180 215 I CB 1.126 39.104 38.000 -0.037 0.000 1.340 215 I HN 0.293 nan 8.210 nan 0.000 0.455 216 W N 3.732 125.055 121.300 0.039 0.000 2.785 216 W HA 0.265 4.925 4.660 0.000 0.000 0.333 216 W C 0.058 176.607 176.519 0.050 0.000 1.062 216 W CA -0.588 56.765 57.345 0.012 0.000 1.233 216 W CB 1.025 30.486 29.460 0.002 0.000 1.413 216 W HN 0.349 nan 8.180 nan 0.000 0.489 217 D N 1.868 122.432 120.400 0.274 0.000 3.032 217 D HA 0.391 5.031 4.640 -0.000 0.000 0.241 217 D C 0.563 176.999 176.300 0.227 0.000 1.196 217 D CA 1.046 55.207 54.000 0.268 0.000 0.927 217 D CB -0.490 40.451 40.800 0.235 0.000 1.129 217 D HN 0.543 nan 8.370 nan 0.000 0.458 218 G N -0.014 108.916 108.800 0.217 0.000 2.291 218 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.249 218 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.249 218 G C -0.812 174.146 174.900 0.096 0.000 1.340 218 G CA -0.844 44.335 45.100 0.133 0.000 1.017 218 G HN 0.189 nan 8.290 nan 0.000 0.470 219 I N 3.090 123.663 120.570 0.006 0.000 2.529 219 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 219 I C -1.779 174.153 176.117 -0.308 0.000 1.082 219 I CA -1.512 59.734 61.300 -0.090 0.000 1.406 219 I CB 1.485 39.440 38.000 -0.075 0.000 1.405 219 I HN 0.134 nan 8.210 nan 0.000 0.548 220 P HA -0.076 nan 4.420 nan 0.000 0.262 220 P C -0.296 176.382 177.300 -1.037 0.000 1.182 220 P CA 0.572 62.848 63.100 -1.373 0.000 0.761 220 P CB 0.162 31.386 31.700 -0.794 0.000 0.795 221 H N -0.247 117.820 119.070 -1.671 0.000 2.958 221 H HA -0.132 4.424 4.556 -0.000 0.000 0.274 221 H C 0.547 175.656 175.328 -0.365 0.000 1.184 221 H CA 0.736 56.339 56.048 -0.741 0.000 1.143 221 H CB -1.769 27.749 29.762 -0.406 0.000 1.297 221 H HN 0.199 nan 8.280 nan 0.000 0.356 222 V N -1.840 117.917 119.914 -0.263 0.000 3.629 222 V HA 0.228 4.348 4.120 -0.000 0.000 0.194 222 V C 1.871 177.952 176.094 -0.020 0.000 1.343 222 V CA 0.658 62.896 62.300 -0.103 0.000 1.292 222 V CB -0.030 31.733 31.823 -0.099 0.000 1.287 222 V HN 0.447 nan 8.190 nan 0.000 0.554 223 G N 2.103 110.904 108.800 0.001 0.000 2.664 223 G HA2 0.378 4.338 3.960 -0.000 0.000 0.242 223 G HA3 0.378 4.338 3.960 -0.000 0.000 0.242 223 G C -2.709 172.343 174.900 0.253 0.000 1.225 223 G CA -0.478 44.693 45.100 0.118 0.000 0.849 223 G HN 0.259 nan 8.290 nan 0.000 0.581 224 P HA 0.121 nan 4.420 nan 0.000 0.269 224 P C -0.087 177.335 177.300 0.203 0.000 1.209 224 P CA -0.596 62.611 63.100 0.179 0.000 0.776 224 P CB 0.724 32.469 31.700 0.075 0.000 0.876 225 L N 4.061 125.296 121.223 0.021 0.000 2.416 225 L HA 0.158 4.497 4.340 -0.000 0.000 0.272 225 L C 1.027 177.713 176.870 -0.306 0.000 1.161 225 L CA 0.304 54.891 54.840 -0.422 0.000 0.845 225 L CB -0.240 41.465 42.059 -0.589 0.000 1.119 225 L HN 0.408 nan 8.230 nan 0.000 0.464 226 I N 0.563 120.910 120.570 -0.372 0.000 3.790 226 I HA 0.581 4.751 4.170 -0.000 0.000 0.305 226 I C 0.669 176.605 176.117 -0.300 0.000 1.253 226 I CA 0.329 61.434 61.300 -0.325 0.000 1.355 226 I CB 0.353 38.129 38.000 -0.375 0.000 1.137 226 I HN 0.622 nan 8.210 nan 0.000 0.435 227 G N 1.594 110.191 108.800 -0.338 0.000 2.596 227 G HA2 0.341 4.301 3.960 -0.000 0.000 0.296 227 G HA3 0.341 4.301 3.960 -0.000 0.000 0.296 227 G C -1.982 172.648 174.900 -0.451 0.000 1.513 227 G CA -0.754 44.087 45.100 -0.432 0.000 0.851 227 G HN 0.089 nan 8.290 nan 0.000 0.548 228 K N 1.035 121.093 120.400 -0.571 0.000 2.339 228 K HA 0.636 4.956 4.320 -0.000 0.000 0.264 228 K C -1.375 174.982 176.600 -0.406 0.000 0.986 228 K CA -0.677 55.392 56.287 -0.362 0.000 0.866 228 K CB 0.861 33.143 32.500 -0.365 0.000 1.103 228 K HN 0.459 nan 8.250 nan 0.000 0.441 229 Y N 2.127 122.406 120.300 -0.035 0.000 2.377 229 Y HA 0.361 4.911 4.550 -0.000 0.000 0.339 229 Y C 0.131 176.255 175.900 0.375 0.000 1.011 229 Y CA -0.802 57.296 58.100 -0.003 0.000 1.093 229 Y CB 1.628 39.830 38.460 -0.430 0.000 1.201 229 Y HN 0.651 nan 8.280 nan 0.000 0.455 230 C N 0.131 119.741 119.300 0.516 0.000 2.839 230 C HA 0.787 5.247 4.460 -0.000 0.000 0.252 230 C C 0.205 175.411 174.990 0.360 0.000 1.530 230 C CA -0.315 58.998 59.018 0.492 0.000 1.016 230 C CB -0.820 27.168 27.740 0.413 0.000 1.935 230 C HN 1.046 nan 8.230 nan 0.000 0.674 231 G N 1.352 110.417 108.800 0.442 0.000 3.195 231 G HA2 0.682 4.641 3.960 -0.000 0.000 0.217 231 G HA3 0.682 4.641 3.960 -0.000 0.000 0.217 231 G C 0.600 175.682 174.900 0.303 0.000 1.166 231 G CA 0.450 45.717 45.100 0.278 0.000 0.812 231 G HN 0.741 nan 8.290 nan 0.000 0.617 232 T N -1.999 112.691 114.554 0.226 0.000 3.040 232 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 232 T C 1.054 175.889 174.700 0.225 0.000 1.064 232 T CA 0.567 62.793 62.100 0.211 0.000 1.110 232 T CB 0.033 68.981 68.868 0.132 0.000 0.921 232 T HN 0.350 nan 8.240 nan 0.000 0.480 233 K N 4.537 125.040 120.400 0.173 0.000 2.416 233 K HA 0.170 4.490 4.320 -0.000 0.000 0.283 233 K C 0.232 176.854 176.600 0.036 0.000 1.037 233 K CA 0.015 56.360 56.287 0.097 0.000 0.995 233 K CB -0.000 32.536 32.500 0.060 0.000 0.938 233 K HN 0.459 nan 8.250 nan 0.000 0.475 234 T N 3.173 117.712 114.554 -0.025 0.000 2.899 234 T HA 0.369 4.719 4.350 -0.000 0.000 0.295 234 T C -2.344 172.062 174.700 -0.490 0.000 1.033 234 T CA -1.799 60.176 62.100 -0.209 0.000 1.084 234 T CB 0.781 69.633 68.868 -0.026 0.000 0.979 234 T HN 0.416 nan 8.240 nan 0.000 0.532 235 P HA 0.276 nan 4.420 nan 0.000 0.276 235 P C -0.247 176.730 177.300 -0.537 0.000 1.243 235 P CA -0.328 62.060 63.100 -1.188 0.000 0.768 235 P CB 0.400 30.797 31.700 -2.171 0.000 0.856 236 S N 1.834 117.353 115.700 -0.302 0.000 2.566 236 S HA -0.020 4.450 4.470 -0.000 0.000 0.280 236 S C 0.480 175.040 174.600 -0.066 0.000 1.343 236 S CA -0.381 57.747 58.200 -0.120 0.000 1.036 236 S CB 0.017 63.177 63.200 -0.067 0.000 0.866 236 S HN 0.498 nan 8.310 nan 0.000 0.526 237 E N 0.906 121.107 120.200 0.003 0.000 2.508 237 E HA 0.012 4.362 4.350 -0.000 0.000 0.266 237 E C -1.031 175.599 176.600 0.051 0.000 1.010 237 E CA 0.380 56.808 56.400 0.047 0.000 0.955 237 E CB 0.282 30.006 29.700 0.040 0.000 0.946 237 E HN 0.391 nan 8.360 nan 0.000 0.454 238 L N 4.750 126.024 121.223 0.084 0.000 2.406 238 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 238 L C -0.254 176.680 176.870 0.107 0.000 0.980 238 L CA -0.640 54.275 54.840 0.126 0.000 0.831 238 L CB 1.772 43.925 42.059 0.157 0.000 1.253 238 L HN 0.524 nan 8.230 nan 0.000 0.406 239 R N 1.833 122.388 120.500 0.092 0.000 2.460 239 R HA 0.615 4.955 4.340 -0.000 0.000 0.303 239 R C -0.612 175.579 176.300 -0.183 0.000 0.968 239 R CA -0.497 55.595 56.100 -0.012 0.000 0.889 239 R CB 2.307 32.590 30.300 -0.028 0.000 1.123 239 R HN 0.530 nan 8.270 nan 0.000 0.455 240 S N 0.426 115.957 115.700 -0.282 0.000 2.614 240 S HA 0.155 4.625 4.470 -0.000 0.000 0.275 240 S C -0.062 174.317 174.600 -0.368 0.000 1.161 240 S CA -0.728 57.113 58.200 -0.598 0.000 0.969 240 S CB 1.372 64.346 63.200 -0.376 0.000 1.059 240 S HN 0.623 nan 8.310 nan 0.000 0.482 241 S N 2.924 118.382 115.700 -0.404 0.000 2.583 241 S HA 0.160 4.630 4.470 -0.000 0.000 0.239 241 S C 1.047 175.545 174.600 -0.169 0.000 0.966 241 S CA -0.100 57.962 58.200 -0.230 0.000 0.973 241 S CB -0.019 63.061 63.200 -0.199 0.000 0.794 241 S HN 0.665 nan 8.310 nan 0.000 0.463 242 T N 1.551 116.006 114.554 -0.166 0.000 2.857 242 T HA 0.309 4.659 4.350 -0.000 0.000 0.266 242 T C 1.774 176.453 174.700 -0.036 0.000 1.048 242 T CA 1.452 63.511 62.100 -0.068 0.000 1.139 242 T CB -0.491 68.376 68.868 -0.003 0.000 0.874 242 T HN 0.861 nan 8.240 nan 0.000 0.455 243 G N 0.636 109.414 108.800 -0.037 0.000 2.339 243 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.209 243 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.209 243 G C 0.100 175.002 174.900 0.003 0.000 1.015 243 G CA -0.281 44.810 45.100 -0.014 0.000 0.635 243 G HN 0.501 nan 8.290 nan 0.000 0.499 244 I N 0.669 121.250 120.570 0.018 0.000 2.689 244 I HA 0.794 4.964 4.170 -0.000 0.000 0.299 244 I C -0.934 175.225 176.117 0.070 0.000 1.059 244 I CA -1.080 60.244 61.300 0.040 0.000 1.055 244 I CB 2.041 40.071 38.000 0.050 0.000 1.243 244 I HN 0.169 nan 8.210 nan 0.000 0.425 245 L N 3.894 125.162 121.223 0.075 0.000 2.526 245 L HA 0.527 4.867 4.340 -0.000 0.000 0.263 245 L C -1.227 175.724 176.870 0.134 0.000 0.943 245 L CA 0.234 55.147 54.840 0.121 0.000 0.859 245 L CB 2.173 44.284 42.059 0.087 0.000 1.313 245 L HN 0.580 nan 8.230 nan 0.000 0.406 246 S N 4.492 120.325 115.700 0.222 0.000 2.541 246 S HA 0.780 5.249 4.470 -0.000 0.000 0.280 246 S C -1.124 173.708 174.600 0.386 0.000 1.112 246 S CA -0.670 57.693 58.200 0.271 0.000 0.925 246 S CB 1.761 65.100 63.200 0.231 0.000 1.067 246 S HN 0.522 nan 8.310 nan 0.000 0.479 247 L N 1.457 122.914 121.223 0.390 0.000 2.330 247 L HA 0.711 5.051 4.340 -0.000 0.000 0.271 247 L C -0.283 176.868 176.870 0.468 0.000 1.013 247 L CA -0.703 54.399 54.840 0.436 0.000 0.816 247 L CB 1.874 44.190 42.059 0.429 0.000 1.287 247 L HN 0.508 nan 8.230 nan 0.000 0.435 248 T N 1.853 116.713 114.554 0.510 0.000 2.930 248 T HA 0.365 4.715 4.350 -0.000 0.000 0.313 248 T C -1.017 174.019 174.700 0.559 0.000 1.019 248 T CA -0.249 62.148 62.100 0.496 0.000 1.004 248 T CB 0.540 69.805 68.868 0.662 0.000 0.987 248 T HN 0.232 nan 8.240 nan 0.000 0.456 249 F N 4.226 124.354 119.950 0.296 0.000 2.410 249 F HA 0.604 5.131 4.527 -0.000 0.000 0.349 249 F C -0.221 175.672 175.800 0.156 0.000 1.117 249 F CA -1.197 56.973 58.000 0.284 0.000 1.104 249 F CB 0.716 39.980 39.000 0.440 0.000 1.122 249 F HN 0.579 nan 8.300 nan 0.000 0.483 250 H N 3.019 121.725 119.070 -0.606 0.000 2.609 250 H HA 0.527 5.083 4.556 -0.000 0.000 0.344 250 H C -0.963 173.748 175.328 -1.028 0.000 1.040 250 H CA -0.317 55.231 56.048 -0.833 0.000 1.216 250 H CB 1.489 30.591 29.762 -1.101 0.000 1.529 250 H HN 0.702 nan 8.280 nan 0.000 0.519 251 T N 1.867 115.670 114.554 -1.252 0.000 2.908 251 T HA 0.380 4.730 4.350 -0.000 0.000 0.290 251 T C -0.554 173.727 174.700 -0.698 0.000 1.034 251 T CA -0.991 60.610 62.100 -0.831 0.000 1.010 251 T CB 2.153 70.761 68.868 -0.433 0.000 1.068 251 T HN 0.568 nan 8.240 nan 0.000 0.481 252 D N 0.704 120.902 120.400 -0.336 0.000 2.569 252 D HA 0.289 4.929 4.640 -0.000 0.000 0.266 252 D C 0.902 177.138 176.300 -0.107 0.000 1.164 252 D CA -0.838 53.033 54.000 -0.216 0.000 1.071 252 D CB 2.068 42.789 40.800 -0.131 0.000 1.183 252 D HN 0.597 nan 8.370 nan 0.000 0.613 253 M N 0.882 120.379 119.600 -0.171 0.000 2.319 253 M HA 0.095 4.575 4.480 -0.000 0.000 0.265 253 M C 0.101 176.020 176.300 -0.636 0.000 1.068 253 M CA 0.999 56.071 55.300 -0.380 0.000 1.118 253 M CB 0.054 32.517 32.600 -0.228 0.000 1.395 253 M HN 0.297 nan 8.290 nan 0.000 0.435 254 A N 0.206 122.868 122.820 -0.263 0.000 2.256 254 A HA 0.580 4.899 4.320 -0.000 0.000 0.317 254 A C -0.171 177.388 177.584 -0.042 0.000 1.318 254 A CA -0.707 51.237 52.037 -0.155 0.000 0.894 254 A CB 0.106 19.082 19.000 -0.040 0.000 1.165 254 A HN 0.432 nan 8.150 nan 0.000 0.525 255 V N 0.573 120.477 119.914 -0.017 0.000 5.169 255 V HA -0.208 3.912 4.120 -0.000 0.000 0.354 255 V C 0.973 177.065 176.094 -0.004 0.000 0.683 255 V CA 0.686 62.998 62.300 0.021 0.000 1.377 255 V CB -2.327 29.501 31.823 0.008 0.000 1.647 255 V HN 1.799 nan 8.190 nan 0.000 0.461 256 A N 6.056 128.831 122.820 -0.075 0.000 2.407 256 A HA 0.636 4.956 4.320 -0.000 0.000 0.248 256 A C 0.614 177.999 177.584 -0.332 0.000 1.082 256 A CA -0.123 51.666 52.037 -0.414 0.000 0.785 256 A CB 0.593 19.131 19.000 -0.769 0.000 1.020 256 A HN 0.674 nan 8.150 nan 0.000 0.489 257 K N 0.336 120.554 120.400 -0.303 0.000 2.762 257 K HA 0.217 4.537 4.320 -0.000 0.000 0.292 257 K C 0.168 176.758 176.600 -0.016 0.000 1.008 257 K CA -0.549 55.717 56.287 -0.034 0.000 1.142 257 K CB 0.023 32.614 32.500 0.152 0.000 1.490 257 K HN 0.644 nan 8.250 nan 0.000 0.581 258 D N -0.126 120.341 120.400 0.112 0.000 2.234 258 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 258 D C 1.139 177.605 176.300 0.276 0.000 0.962 258 D CA 1.127 55.201 54.000 0.123 0.000 0.855 258 D CB 0.128 40.990 40.800 0.104 0.000 0.951 258 D HN 0.713 nan 8.370 nan 0.000 0.500 259 G N 0.633 109.669 108.800 0.394 0.000 2.513 259 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.227 259 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.227 259 G C -0.604 174.374 174.900 0.130 0.000 1.176 259 G CA -0.259 45.069 45.100 0.381 0.000 0.967 259 G HN 0.390 nan 8.290 nan 0.000 0.587 260 F N -0.584 119.315 119.950 -0.086 0.000 2.641 260 F HA 0.840 5.366 4.527 -0.000 0.000 0.308 260 F C -0.503 175.068 175.800 -0.381 0.000 1.105 260 F CA -0.145 57.773 58.000 -0.135 0.000 0.964 260 F CB 1.880 40.812 39.000 -0.114 0.000 1.294 260 F HN 1.257 nan 8.300 nan 0.000 0.442 261 S N 2.698 118.234 115.700 -0.272 0.000 2.538 261 S HA 0.957 5.427 4.470 -0.000 0.000 0.288 261 S C -1.076 173.417 174.600 -0.178 0.000 1.108 261 S CA 0.260 58.079 58.200 -0.635 0.000 0.971 261 S CB 1.377 63.851 63.200 -1.210 0.000 1.041 261 S HN 1.685 nan 8.310 nan 0.000 0.483 262 A N 3.264 125.881 122.820 -0.337 0.000 2.533 262 A HA 0.973 5.293 4.320 -0.000 0.000 0.293 262 A C -0.879 176.408 177.584 -0.495 0.000 1.228 262 A CA -0.917 50.767 52.037 -0.589 0.000 0.689 262 A CB 1.544 19.686 19.000 -1.429 0.000 1.303 262 A HN 0.957 nan 8.150 nan 0.000 0.444 263 R N -0.955 119.233 120.500 -0.521 0.000 2.629 263 R HA 0.553 4.893 4.340 -0.000 0.000 0.266 263 R C -2.295 173.751 176.300 -0.422 0.000 1.051 263 R CA -0.512 55.322 56.100 -0.444 0.000 0.895 263 R CB 1.663 31.728 30.300 -0.392 0.000 1.246 263 R HN 1.338 nan 8.270 nan 0.000 0.459 264 Y N 0.990 120.910 120.300 -0.633 0.000 2.534 264 Y HA 0.662 5.212 4.550 -0.000 0.000 0.345 264 Y C -2.115 173.388 175.900 -0.661 0.000 1.031 264 Y CA -0.991 56.791 58.100 -0.530 0.000 1.022 264 Y CB 1.481 39.714 38.460 -0.378 0.000 1.292 264 Y HN 0.488 nan 8.280 nan 0.000 0.459 265 Y N 2.971 123.250 120.300 -0.036 0.000 2.499 265 Y HA 0.656 5.206 4.550 -0.000 0.000 0.347 265 Y C -0.799 175.154 175.900 0.090 0.000 0.987 265 Y CA -1.278 56.776 58.100 -0.076 0.000 1.044 265 Y CB 2.262 40.678 38.460 -0.073 0.000 1.245 265 Y HN 0.574 nan 8.280 nan 0.000 0.461 266 L N 3.932 125.296 121.223 0.235 0.000 2.307 266 L HA 0.769 5.109 4.340 -0.000 0.000 0.284 266 L C -1.021 175.925 176.870 0.127 0.000 1.023 266 L CA -1.074 53.873 54.840 0.179 0.000 0.810 266 L CB 1.383 43.549 42.059 0.178 0.000 1.231 266 L HN 0.354 nan 8.230 nan 0.000 0.423 267 V N 0.931 120.897 119.914 0.087 0.000 2.709 267 V HA 0.284 4.404 4.120 -0.000 0.000 0.308 267 V C -0.500 175.631 176.094 0.061 0.000 1.062 267 V CA -0.821 61.517 62.300 0.063 0.000 0.901 267 V CB 1.908 33.745 31.823 0.024 0.000 1.003 267 V HN 0.668 nan 8.190 nan 0.000 0.425 268 H N 3.581 122.645 119.070 -0.011 0.000 2.707 268 H HA 0.448 5.004 4.556 -0.000 0.000 0.359 268 H C -0.375 174.932 175.328 -0.034 0.000 1.113 268 H CA 0.381 56.418 56.048 -0.019 0.000 1.422 268 H CB 0.837 30.589 29.762 -0.016 0.000 1.443 268 H HN 0.586 nan 8.280 nan 0.000 0.591 269 Q N 3.900 123.432 119.800 -0.445 0.000 2.294 269 Q HA 0.183 4.523 4.340 -0.000 0.000 0.264 269 Q C -1.022 174.782 176.000 -0.326 0.000 0.992 269 Q CA -0.724 54.917 55.803 -0.269 0.000 0.747 269 Q CB 2.030 30.635 28.738 -0.222 0.000 1.262 269 Q HN 0.669 nan 8.270 nan 0.000 0.452 270 E N 3.665 123.789 120.200 -0.126 0.000 2.121 270 E HA 0.325 4.675 4.350 -0.000 0.000 0.255 270 E C -2.073 174.461 176.600 -0.110 0.000 0.906 270 E CA -1.568 54.784 56.400 -0.079 0.000 0.745 270 E CB 1.434 31.170 29.700 0.061 0.000 1.155 270 E HN 0.395 nan 8.360 nan 0.000 0.424 271 P HA 0.225 nan 4.420 nan 0.000 0.274 271 P C 0.342 177.543 177.300 -0.165 0.000 1.237 271 P CA -0.361 62.561 63.100 -0.297 0.000 0.793 271 P CB 1.205 32.546 31.700 -0.599 0.000 0.977 272 L N 0.774 121.948 121.223 -0.081 0.000 2.600 272 L HA 0.151 4.491 4.340 -0.000 0.000 0.221 272 L C 1.837 178.742 176.870 0.058 0.000 1.197 272 L CA -0.504 54.351 54.840 0.024 0.000 0.838 272 L CB -0.246 41.864 42.059 0.085 0.000 1.474 272 L HN 0.315 nan 8.230 nan 0.000 0.514 273 E N 0.048 120.290 120.200 0.070 0.000 2.030 273 E HA -0.102 4.247 4.350 -0.000 0.000 0.189 273 E C 0.656 177.327 176.600 0.119 0.000 0.974 273 E CA 0.633 57.080 56.400 0.079 0.000 0.807 273 E CB -0.142 29.589 29.700 0.051 0.000 0.771 273 E HN 0.513 nan 8.360 nan 0.000 0.451 274 N N 0.454 119.216 118.700 0.103 0.000 2.744 274 N HA 0.033 4.773 4.740 -0.000 0.000 0.290 274 N C -1.468 174.140 175.510 0.164 0.000 1.206 274 N CA -0.099 53.009 53.050 0.098 0.000 1.119 274 N CB -0.271 38.254 38.487 0.064 0.000 1.449 274 N HN -0.007 nan 8.380 nan 0.000 0.514 275 F N 1.707 121.662 119.950 0.009 0.000 2.573 275 F HA 0.431 4.958 4.527 -0.000 0.000 0.316 275 F C -1.456 174.351 175.800 0.012 0.000 1.148 275 F CA -0.820 57.186 58.000 0.010 0.000 0.940 275 F CB 1.377 40.381 39.000 0.006 0.000 1.214 275 F HN 0.126 nan 8.300 nan 0.000 0.448 276 Q N 4.811 124.086 119.800 -0.875 0.000 2.312 276 Q HA 0.252 4.592 4.340 -0.000 0.000 0.263 276 Q C -0.648 174.776 176.000 -0.960 0.000 0.995 276 Q CA -0.498 54.896 55.803 -0.681 0.000 0.853 276 Q CB 1.943 30.490 28.738 -0.318 0.000 1.300 276 Q HN 0.875 nan 8.270 nan 0.000 0.448 277 c N 4.535 122.811 118.600 -0.540 0.000 3.089 277 c HA 0.228 4.798 4.570 -0.000 0.000 0.548 277 c C 0.318 174.333 174.090 -0.126 0.000 1.205 277 c CA -0.268 55.881 56.329 -0.299 0.000 1.398 277 c CB -2.108 40.367 42.510 -0.059 0.000 1.764 277 c HN 0.669 nan 8.230 nan 0.000 0.638 278 N N 0.754 119.371 118.700 -0.139 0.000 2.305 278 N HA 0.116 4.856 4.740 -0.000 0.000 0.248 278 N C -0.510 175.086 175.510 0.143 0.000 1.290 278 N CA -0.244 52.803 53.050 -0.004 0.000 0.873 278 N CB -0.263 38.178 38.487 -0.078 0.000 1.261 278 N HN 0.287 nan 8.380 nan 0.000 0.504 279 V N 1.882 121.868 119.914 0.120 0.000 2.775 279 V HA 0.305 4.425 4.120 -0.000 0.000 0.299 279 V C -2.016 174.156 176.094 0.130 0.000 1.062 279 V CA -1.311 61.080 62.300 0.152 0.000 1.063 279 V CB 1.223 33.131 31.823 0.142 0.000 0.994 279 V HN 0.144 nan 8.190 nan 0.000 0.483 280 P HA 0.191 nan 4.420 nan 0.000 0.271 280 P C 0.378 177.562 177.300 -0.193 0.000 1.216 280 P CA 0.046 62.957 63.100 -0.314 0.000 0.776 280 P CB 0.503 32.035 31.700 -0.280 0.000 0.881 281 L N 1.545 122.621 121.223 -0.245 0.000 2.477 281 L HA 0.285 4.625 4.340 -0.000 0.000 0.220 281 L C 1.486 178.287 176.870 -0.114 0.000 1.106 281 L CA 0.854 55.614 54.840 -0.133 0.000 0.851 281 L CB -0.288 41.700 42.059 -0.118 0.000 0.994 281 L HN 0.712 nan 8.230 nan 0.000 0.462 282 G N -2.105 106.608 108.800 -0.144 0.000 2.507 282 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.205 282 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.205 282 G C 0.822 175.662 174.900 -0.100 0.000 0.996 282 G CA -0.251 44.788 45.100 -0.101 0.000 0.776 282 G HN -0.134 nan 8.290 nan 0.000 0.532 283 M N 0.731 120.253 119.600 -0.131 0.000 2.059 283 M HA 0.031 4.511 4.480 -0.000 0.000 0.259 283 M C 2.028 178.284 176.300 -0.073 0.000 1.072 283 M CA 2.123 57.360 55.300 -0.106 0.000 1.117 283 M CB -1.072 31.452 32.600 -0.127 0.000 1.320 283 M HN 0.451 nan 8.290 nan 0.000 0.408 284 E N 0.290 120.446 120.200 -0.073 0.000 2.072 284 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 284 E C 1.992 178.580 176.600 -0.019 0.000 0.982 284 E CA 1.592 57.978 56.400 -0.022 0.000 0.803 284 E CB 0.156 29.868 29.700 0.020 0.000 0.755 284 E HN 0.523 nan 8.360 nan 0.000 0.453 285 S N -1.105 114.574 115.700 -0.036 0.000 2.453 285 S HA 0.049 4.519 4.470 -0.000 0.000 0.231 285 S C 1.649 176.233 174.600 -0.026 0.000 1.005 285 S CA 0.922 59.106 58.200 -0.026 0.000 0.949 285 S CB 0.202 63.384 63.200 -0.031 0.000 0.774 285 S HN 0.496 nan 8.310 nan 0.000 0.510 286 G N 1.440 110.220 108.800 -0.034 0.000 2.176 286 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 286 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 286 G C 0.931 175.814 174.900 -0.029 0.000 0.979 286 G CA 0.308 45.390 45.100 -0.030 0.000 0.641 286 G HN 0.491 nan 8.290 nan 0.000 0.530 287 R N -0.374 120.107 120.500 -0.032 0.000 2.148 287 R HA 0.113 4.453 4.340 -0.000 0.000 0.227 287 R C 1.176 177.459 176.300 -0.028 0.000 1.103 287 R CA 0.798 56.884 56.100 -0.024 0.000 0.983 287 R CB -0.055 30.231 30.300 -0.023 0.000 0.874 287 R HN 0.509 nan 8.270 nan 0.000 0.451 288 I N 1.910 122.453 120.570 -0.046 0.000 2.322 288 I HA 0.085 4.255 4.170 -0.000 0.000 0.292 288 I C 0.449 176.536 176.117 -0.050 0.000 1.060 288 I CA -0.466 60.800 61.300 -0.057 0.000 1.309 288 I CB 1.125 39.078 38.000 -0.079 0.000 1.415 288 I HN 0.052 nan 8.210 nan 0.000 0.492 289 A N 5.317 128.110 122.820 -0.045 0.000 2.287 289 A HA 0.286 4.606 4.320 -0.000 0.000 0.273 289 A C 1.067 178.626 177.584 -0.042 0.000 1.091 289 A CA -0.462 51.553 52.037 -0.038 0.000 0.817 289 A CB 0.342 19.322 19.000 -0.033 0.000 1.069 289 A HN 0.728 nan 8.150 nan 0.000 0.492 290 N N 0.457 119.137 118.700 -0.033 0.000 2.037 290 N HA -0.203 4.537 4.740 -0.000 0.000 0.196 290 N C 1.412 176.901 175.510 -0.036 0.000 1.034 290 N CA 2.187 55.218 53.050 -0.030 0.000 0.861 290 N CB -0.469 38.008 38.487 -0.018 0.000 1.039 290 N HN 0.816 nan 8.380 nan 0.000 0.427 291 E N 0.573 120.754 120.200 -0.033 0.000 2.108 291 E HA -0.272 4.078 4.350 -0.000 0.000 0.203 291 E C 1.842 178.408 176.600 -0.057 0.000 1.022 291 E CA 1.428 57.805 56.400 -0.038 0.000 0.823 291 E CB -0.238 29.448 29.700 -0.023 0.000 0.744 291 E HN 0.534 nan 8.360 nan 0.000 0.456 292 Q N -0.083 119.676 119.800 -0.069 0.000 2.364 292 Q HA -0.040 4.300 4.340 -0.000 0.000 0.209 292 Q C 0.370 176.320 176.000 -0.083 0.000 0.977 292 Q CA 0.459 56.206 55.803 -0.094 0.000 0.885 292 Q CB 0.009 28.680 28.738 -0.112 0.000 0.941 292 Q HN 0.335 nan 8.270 nan 0.000 0.464 293 I N 1.058 121.584 120.570 -0.073 0.000 2.353 293 I HA 0.158 4.328 4.170 -0.000 0.000 0.293 293 I C -0.018 176.053 176.117 -0.076 0.000 0.992 293 I CA -0.463 60.786 61.300 -0.086 0.000 1.268 293 I CB 1.484 39.428 38.000 -0.093 0.000 1.387 293 I HN -0.051 nan 8.210 nan 0.000 0.478 294 S N 4.182 119.826 115.700 -0.093 0.000 2.638 294 S HA 0.961 5.431 4.470 -0.000 0.000 0.274 294 S C -0.912 173.594 174.600 -0.156 0.000 1.157 294 S CA -0.845 57.312 58.200 -0.071 0.000 0.826 294 S CB 2.246 65.450 63.200 0.007 0.000 1.139 294 S HN 0.841 nan 8.310 nan 0.000 0.474 295 A N 0.634 123.374 122.820 -0.134 0.000 2.594 295 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 295 A C 0.841 178.271 177.584 -0.257 0.000 1.105 295 A CA -0.189 51.692 52.037 -0.260 0.000 0.694 295 A CB 0.839 19.653 19.000 -0.309 0.000 1.291 295 A HN 1.684 nan 8.150 nan 0.000 0.410 296 S N 0.254 115.538 115.700 -0.694 0.000 2.402 296 S HA 0.070 4.540 4.470 -0.000 0.000 0.233 296 S C 0.850 175.311 174.600 -0.232 0.000 1.030 296 S CA 1.579 59.333 58.200 -0.743 0.000 1.003 296 S CB -0.743 61.822 63.200 -1.059 0.000 0.813 296 S HN 2.415 nan 8.310 nan 0.000 0.477 297 S N -2.139 113.541 115.700 -0.034 0.000 2.643 297 S HA 0.594 5.064 4.470 -0.000 0.000 0.266 297 S C -0.953 173.746 174.600 0.165 0.000 1.130 297 S CA -0.375 57.842 58.200 0.028 0.000 0.817 297 S CB 1.379 64.550 63.200 -0.049 0.000 1.107 297 S HN 0.381 nan 8.310 nan 0.000 0.471 298 T N 0.059 114.653 114.554 0.067 0.000 2.894 298 T HA 0.560 4.910 4.350 -0.000 0.000 0.309 298 T C -1.608 173.077 174.700 -0.026 0.000 1.208 298 T CA -0.474 61.657 62.100 0.053 0.000 1.016 298 T CB 1.015 69.993 68.868 0.184 0.000 1.192 298 T HN 0.703 nan 8.240 nan 0.000 0.491 299 Y N 2.464 122.657 120.300 -0.178 0.000 2.578 299 Y HA 0.177 4.727 4.550 -0.000 0.000 0.339 299 Y C 2.020 177.876 175.900 -0.072 0.000 1.231 299 Y CA 1.154 59.145 58.100 -0.182 0.000 1.461 299 Y CB 0.834 39.130 38.460 -0.274 0.000 1.323 299 Y HN 0.797 nan 8.280 nan 0.000 0.590 300 S N 1.038 116.312 115.700 -0.711 0.000 2.382 300 S HA -0.229 4.241 4.470 -0.000 0.000 0.228 300 S C 1.290 175.804 174.600 -0.143 0.000 1.027 300 S CA 1.289 59.250 58.200 -0.399 0.000 0.991 300 S CB -0.481 62.417 63.200 -0.504 0.000 0.823 300 S HN 0.859 nan 8.310 nan 0.000 0.469 301 D N 1.204 121.602 120.400 -0.003 0.000 2.371 301 D HA 0.163 4.803 4.640 -0.000 0.000 0.221 301 D C 1.451 177.830 176.300 0.132 0.000 0.986 301 D CA 0.730 54.803 54.000 0.121 0.000 0.899 301 D CB -1.083 39.860 40.800 0.239 0.000 0.902 301 D HN 0.660 nan 8.370 nan 0.000 0.530 302 G N 0.518 109.407 108.800 0.147 0.000 2.148 302 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 302 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 302 G C 1.054 176.025 174.900 0.118 0.000 0.981 302 G CA 0.212 45.381 45.100 0.115 0.000 0.670 302 G HN 0.344 nan 8.290 nan 0.000 0.528 303 R N -1.387 119.228 120.500 0.191 0.000 2.362 303 R HA 0.222 4.562 4.340 -0.000 0.000 0.227 303 R C -0.094 176.061 176.300 -0.240 0.000 0.905 303 R CA -0.019 56.081 56.100 0.001 0.000 1.067 303 R CB 0.102 30.399 30.300 -0.005 0.000 1.078 303 R HN 0.523 nan 8.270 nan 0.000 0.516 304 W N 1.492 122.793 121.300 0.000 0.000 1.809 304 W HA 0.190 4.850 4.660 -0.000 0.000 0.298 304 W C 0.039 176.582 176.519 0.040 0.000 0.905 304 W CA -0.704 56.619 57.345 -0.035 0.000 1.872 304 W CB 0.313 29.666 29.460 -0.178 0.000 2.092 304 W HN -0.176 nan 8.180 nan 0.000 0.403 305 T N -2.421 112.270 114.554 0.229 0.000 2.874 305 T HA 0.321 4.671 4.350 -0.000 0.000 0.281 305 T C -1.585 173.328 174.700 0.355 0.000 0.994 305 T CA -1.707 60.551 62.100 0.264 0.000 1.015 305 T CB 1.897 70.847 68.868 0.136 0.000 1.028 305 T HN -0.195 nan 8.240 nan 0.000 0.523 306 P HA -0.134 nan 4.420 nan 0.000 0.216 306 P C 1.372 178.693 177.300 0.035 0.000 1.154 306 P CA 1.152 64.289 63.100 0.061 0.000 0.865 306 P CB -0.041 31.625 31.700 -0.057 0.000 0.789 307 Q N -1.080 118.747 119.800 0.045 0.000 2.500 307 Q HA -0.083 4.257 4.340 -0.000 0.000 0.213 307 Q C 1.666 177.677 176.000 0.018 0.000 0.974 307 Q CA 1.079 56.890 55.803 0.014 0.000 0.918 307 Q CB -0.652 28.092 28.738 0.010 0.000 0.980 307 Q HN 0.470 nan 8.270 nan 0.000 0.505 308 Q N -1.041 118.790 119.800 0.051 0.000 2.319 308 Q HA 0.098 4.438 4.340 -0.000 0.000 0.202 308 Q C 0.604 176.640 176.000 0.059 0.000 0.896 308 Q CA 0.335 56.158 55.803 0.033 0.000 0.942 308 Q CB 0.633 29.373 28.738 0.004 0.000 1.083 308 Q HN 0.279 nan 8.270 nan 0.000 0.510 309 S N 0.129 115.873 115.700 0.074 0.000 2.840 309 S HA 0.161 4.631 4.470 -0.000 0.000 0.235 309 S C 0.246 174.846 174.600 0.001 0.000 0.968 309 S CA -0.449 57.791 58.200 0.066 0.000 1.026 309 S CB -0.058 63.166 63.200 0.040 0.000 0.788 309 S HN 0.147 nan 8.310 nan 0.000 0.487 310 R N 0.695 121.192 120.500 -0.006 0.000 2.357 310 R HA 0.383 4.723 4.340 -0.000 0.000 0.296 310 R C -0.368 175.915 176.300 -0.029 0.000 1.052 310 R CA -0.909 55.175 56.100 -0.027 0.000 0.988 310 R CB 0.586 30.875 30.300 -0.019 0.000 1.025 310 R HN 0.279 nan 8.270 nan 0.000 0.469 311 L N 3.583 124.769 121.223 -0.062 0.000 2.578 311 L HA -0.101 4.239 4.340 -0.000 0.000 0.279 311 L C 0.159 176.995 176.870 -0.057 0.000 1.227 311 L CA 1.197 55.956 54.840 -0.134 0.000 0.900 311 L CB -0.524 41.438 42.059 -0.163 0.000 1.144 311 L HN 0.793 nan 8.230 nan 0.000 0.496 312 H N 0.397 119.478 119.070 0.019 0.000 3.211 312 H HA -0.164 4.392 4.556 -0.000 0.000 0.240 312 H C 0.929 176.260 175.328 0.004 0.000 1.148 312 H CA 0.537 56.594 56.048 0.014 0.000 1.160 312 H CB -1.744 28.026 29.762 0.012 0.000 1.232 312 H HN 0.893 nan 8.280 nan 0.000 0.321 313 G N 1.280 110.126 108.800 0.076 0.000 2.353 313 G HA2 0.116 4.076 3.960 -0.000 0.000 0.239 313 G HA3 0.116 4.076 3.960 -0.000 0.000 0.239 313 G C 0.883 175.798 174.900 0.025 0.000 1.295 313 G CA 0.284 45.406 45.100 0.037 0.000 0.884 313 G HN 0.524 nan 8.290 nan 0.000 0.537 314 D N 0.444 120.848 120.400 0.007 0.000 2.349 314 D HA -0.015 4.625 4.640 -0.000 0.000 0.224 314 D C 0.091 176.365 176.300 -0.044 0.000 1.029 314 D CA 0.030 54.026 54.000 -0.007 0.000 0.879 314 D CB 0.574 41.371 40.800 -0.006 0.000 0.906 314 D HN 0.251 nan 8.370 nan 0.000 0.528 315 D N 0.115 120.470 120.400 -0.076 0.000 2.404 315 D HA 0.181 4.821 4.640 -0.000 0.000 0.267 315 D C -0.129 176.014 176.300 -0.261 0.000 1.194 315 D CA -0.423 53.489 54.000 -0.148 0.000 0.910 315 D CB 0.075 40.800 40.800 -0.126 0.000 1.090 315 D HN -0.204 nan 8.370 nan 0.000 0.511 316 N N 1.166 119.656 118.700 -0.351 0.000 1.202 316 N HA -0.179 4.561 4.740 -0.000 0.000 0.108 316 N C 0.394 175.751 175.510 -0.255 0.000 0.816 316 N CA 1.586 54.255 53.050 -0.635 0.000 0.848 316 N CB -1.146 36.372 38.487 -1.616 0.000 0.972 316 N HN 0.590 nan 8.380 nan 0.000 0.645 317 G N -2.464 106.255 108.800 -0.135 0.000 2.650 317 G HA2 0.420 4.380 3.960 -0.000 0.000 0.310 317 G HA3 0.420 4.380 3.960 -0.000 0.000 0.310 317 G C -2.093 173.025 174.900 0.362 0.000 1.270 317 G CA -0.154 45.058 45.100 0.185 0.000 0.810 317 G HN 0.619 nan 8.290 nan 0.000 0.493 318 W N 1.382 122.784 121.300 0.170 0.000 2.351 318 W HA 0.705 5.365 4.660 -0.000 0.000 0.311 318 W C -0.589 176.001 176.519 0.119 0.000 1.168 318 W CA -0.125 57.307 57.345 0.146 0.000 1.200 318 W CB 1.542 31.029 29.460 0.046 0.000 1.221 318 W HN 0.442 nan 8.180 nan 0.000 0.519 319 T N 8.940 123.070 114.554 -0.708 0.000 2.881 319 T HA 0.362 4.712 4.350 -0.000 0.000 0.290 319 T C -2.543 171.417 174.700 -1.233 0.000 1.000 319 T CA -1.191 60.251 62.100 -1.097 0.000 0.978 319 T CB 1.982 70.274 68.868 -0.961 0.000 0.997 319 T HN 0.228 nan 8.240 nan 0.000 0.443 320 P HA 0.184 nan 4.420 nan 0.000 0.276 320 P C 0.700 177.794 177.300 -0.343 0.000 1.261 320 P CA -0.489 62.191 63.100 -0.699 0.000 0.800 320 P CB 0.979 32.335 31.700 -0.573 0.000 1.066 321 N N -0.114 118.463 118.700 -0.205 0.000 2.205 321 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 321 N C 0.053 175.461 175.510 -0.171 0.000 1.015 321 N CA 0.864 53.805 53.050 -0.182 0.000 0.862 321 N CB 0.052 38.443 38.487 -0.160 0.000 0.986 321 N HN 0.320 nan 8.380 nan 0.000 0.429 322 L N 1.197 122.309 121.223 -0.185 0.000 2.543 322 L HA 0.218 4.558 4.340 -0.000 0.000 0.265 322 L C -1.770 174.964 176.870 -0.227 0.000 0.945 322 L CA -0.816 53.925 54.840 -0.166 0.000 0.869 322 L CB 1.847 43.839 42.059 -0.112 0.000 1.294 322 L HN -0.149 nan 8.230 nan 0.000 0.405 323 D N 3.625 123.859 120.400 -0.276 0.000 2.382 323 D HA 0.372 5.012 4.640 -0.000 0.000 0.259 323 D C -0.110 176.074 176.300 -0.193 0.000 1.224 323 D CA 0.572 54.303 54.000 -0.449 0.000 0.894 323 D CB 1.122 41.609 40.800 -0.521 0.000 1.127 323 D HN 0.571 nan 8.370 nan 0.000 0.487 324 S N 1.086 116.656 115.700 -0.217 0.000 2.636 324 S HA 0.275 4.744 4.470 -0.000 0.000 0.268 324 S C 0.024 174.724 174.600 0.165 0.000 1.159 324 S CA -0.949 57.328 58.200 0.129 0.000 0.815 324 S CB 0.950 64.199 63.200 0.081 0.000 1.130 324 S HN 0.251 nan 8.310 nan 0.000 0.471 325 N N -0.136 118.750 118.700 0.310 0.000 2.314 325 N HA 0.189 4.929 4.740 -0.000 0.000 0.200 325 N C 0.182 175.805 175.510 0.188 0.000 1.135 325 N CA -0.212 53.017 53.050 0.298 0.000 0.835 325 N CB -0.240 38.432 38.487 0.309 0.000 0.989 325 N HN 0.632 nan 8.380 nan 0.000 0.478 326 K N -0.250 120.229 120.400 0.132 0.000 2.414 326 K HA 0.186 4.506 4.320 -0.000 0.000 0.204 326 K C -0.289 176.368 176.600 0.096 0.000 1.026 326 K CA -0.228 56.126 56.287 0.112 0.000 1.108 326 K CB 0.664 33.215 32.500 0.086 0.000 0.855 326 K HN 0.143 nan 8.250 nan 0.000 0.517 327 E N 0.794 121.036 120.200 0.070 0.000 2.319 327 E HA 0.184 4.533 4.350 -0.000 0.000 0.268 327 E C -0.657 176.037 176.600 0.157 0.000 1.050 327 E CA -0.408 56.011 56.400 0.031 0.000 0.878 327 E CB 1.032 30.740 29.700 0.013 0.000 1.066 327 E HN 0.050 nan 8.360 nan 0.000 0.406 328 Y N -1.028 119.334 120.300 0.102 0.000 2.571 328 Y HA 0.593 5.143 4.550 -0.000 0.000 0.341 328 Y C -1.494 174.186 175.900 -0.367 0.000 1.076 328 Y CA -1.496 56.564 58.100 -0.067 0.000 1.029 328 Y CB 0.719 39.081 38.460 -0.162 0.000 1.308 328 Y HN 0.316 nan 8.280 nan 0.000 0.461 329 L N 2.943 123.906 121.223 -0.433 0.000 2.325 329 L HA 0.608 4.948 4.340 -0.000 0.000 0.278 329 L C -0.694 176.044 176.870 -0.221 0.000 1.023 329 L CA -0.392 53.997 54.840 -0.752 0.000 0.811 329 L CB 1.853 43.270 42.059 -1.069 0.000 1.249 329 L HN 0.906 nan 8.230 nan 0.000 0.431 330 Q N 3.057 122.772 119.800 -0.141 0.000 2.394 330 Q HA 0.724 5.064 4.340 -0.000 0.000 0.273 330 Q C -2.008 173.964 176.000 -0.047 0.000 1.089 330 Q CA -0.850 54.942 55.803 -0.019 0.000 0.812 330 Q CB 2.318 31.124 28.738 0.113 0.000 1.353 330 Q HN 0.573 nan 8.270 nan 0.000 0.438 331 V N 2.850 122.754 119.914 -0.017 0.000 2.531 331 V HA 0.238 4.357 4.120 -0.000 0.000 0.301 331 V C -0.988 175.056 176.094 -0.083 0.000 1.034 331 V CA -0.785 61.477 62.300 -0.063 0.000 0.865 331 V CB 1.761 33.525 31.823 -0.098 0.000 0.995 331 V HN 0.786 nan 8.190 nan 0.000 0.424 332 D N 3.998 124.289 120.400 -0.182 0.000 2.456 332 D HA 0.316 4.956 4.640 -0.000 0.000 0.219 332 D C 0.919 176.967 176.300 -0.419 0.000 1.126 332 D CA -0.192 53.510 54.000 -0.496 0.000 0.890 332 D CB 1.223 41.710 40.800 -0.521 0.000 1.025 332 D HN 0.449 nan 8.370 nan 0.000 0.511 333 L N 3.400 124.392 121.223 -0.386 0.000 2.353 333 L HA -0.081 4.258 4.340 -0.000 0.000 0.220 333 L C 1.795 178.502 176.870 -0.272 0.000 1.133 333 L CA 0.444 55.139 54.840 -0.241 0.000 0.798 333 L CB -0.210 41.758 42.059 -0.152 0.000 0.922 333 L HN 0.541 nan 8.230 nan 0.000 0.445 334 R N -3.110 117.095 120.500 -0.492 0.000 3.331 334 R HA -0.221 4.119 4.340 -0.000 0.000 0.316 334 R C -0.162 175.653 176.300 -0.808 0.000 0.631 334 R CA 1.701 57.401 56.100 -0.666 0.000 1.595 334 R CB -1.459 28.418 30.300 -0.704 0.000 1.609 334 R HN 0.218 nan 8.270 nan 0.000 0.455 335 F N 0.920 120.783 119.950 -0.146 0.000 2.579 335 F HA 0.490 5.017 4.527 -0.000 0.000 0.324 335 F C 0.855 176.604 175.800 -0.084 0.000 1.058 335 F CA -1.117 56.829 58.000 -0.090 0.000 0.944 335 F CB 0.899 39.862 39.000 -0.061 0.000 1.245 335 F HN -0.166 nan 8.300 nan 0.000 0.477 336 L N 2.170 123.481 121.223 0.146 0.000 2.584 336 L HA 0.134 4.474 4.340 -0.000 0.000 0.272 336 L C -0.394 176.517 176.870 0.069 0.000 1.195 336 L CA 0.802 55.685 54.840 0.071 0.000 0.920 336 L CB 0.023 42.118 42.059 0.060 0.000 1.173 336 L HN 0.710 nan 8.230 nan 0.000 0.489 337 T N 4.325 118.902 114.554 0.038 0.000 2.893 337 T HA 0.337 4.687 4.350 -0.000 0.000 0.293 337 T C -0.261 174.455 174.700 0.025 0.000 1.027 337 T CA -0.685 61.434 62.100 0.033 0.000 0.988 337 T CB 1.960 70.842 68.868 0.024 0.000 1.043 337 T HN 0.372 nan 8.240 nan 0.000 0.461 338 M N 3.122 122.743 119.600 0.035 0.000 2.219 338 M HA 0.424 4.904 4.480 -0.000 0.000 0.353 338 M C -1.016 175.301 176.300 0.028 0.000 1.304 338 M CA -0.555 54.766 55.300 0.036 0.000 1.115 338 M CB 0.096 32.727 32.600 0.051 0.000 1.664 338 M HN 0.462 nan 8.290 nan 0.000 0.459 339 L N 4.987 126.219 121.223 0.015 0.000 2.305 339 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 339 L C 0.511 177.380 176.870 -0.002 0.000 1.013 339 L CA 0.344 55.185 54.840 0.002 0.000 0.819 339 L CB 1.431 43.473 42.059 -0.029 0.000 1.227 339 L HN 0.939 nan 8.230 nan 0.000 0.417 340 T N 1.162 115.730 114.554 0.022 0.000 2.959 340 T HA 0.753 5.102 4.350 -0.000 0.000 0.254 340 T C 0.359 175.061 174.700 0.003 0.000 1.003 340 T CA 0.346 62.453 62.100 0.012 0.000 0.950 340 T CB 0.348 69.228 68.868 0.019 0.000 1.090 340 T HN 0.793 nan 8.240 nan 0.000 0.503 341 A N 0.617 123.463 122.820 0.044 0.000 2.605 341 A HA 0.742 5.062 4.320 -0.000 0.000 0.294 341 A C -1.806 175.860 177.584 0.137 0.000 1.062 341 A CA -0.947 51.106 52.037 0.027 0.000 0.682 341 A CB 1.048 19.986 19.000 -0.103 0.000 1.278 341 A HN 0.368 nan 8.150 nan 0.000 0.410 342 I N 0.985 121.578 120.570 0.040 0.000 2.465 342 I HA 0.662 4.832 4.170 -0.000 0.000 0.291 342 I C 0.303 176.479 176.117 0.098 0.000 1.014 342 I CA -0.612 60.717 61.300 0.049 0.000 1.093 342 I CB 2.176 40.090 38.000 -0.142 0.000 1.267 342 I HN 0.829 nan 8.210 nan 0.000 0.431 343 A N 3.913 126.845 122.820 0.187 0.000 2.355 343 A HA 0.912 5.232 4.320 -0.000 0.000 0.317 343 A C -0.326 177.288 177.584 0.050 0.000 1.094 343 A CA -0.461 51.669 52.037 0.154 0.000 0.764 343 A CB 1.405 20.595 19.000 0.316 0.000 1.230 343 A HN 0.725 nan 8.150 nan 0.000 0.448 344 T N -0.234 114.344 114.554 0.041 0.000 2.896 344 T HA 0.789 5.139 4.350 -0.000 0.000 0.297 344 T C -0.714 174.005 174.700 0.031 0.000 1.108 344 T CA -0.672 61.435 62.100 0.012 0.000 1.004 344 T CB 1.712 70.586 68.868 0.010 0.000 1.159 344 T HN 0.697 nan 8.240 nan 0.000 0.499 345 Q N -0.500 119.320 119.800 0.034 0.000 2.456 345 Q HA 0.623 4.963 4.340 -0.000 0.000 0.284 345 Q C 0.071 176.142 176.000 0.117 0.000 1.061 345 Q CA -1.120 54.708 55.803 0.043 0.000 0.799 345 Q CB 2.499 31.229 28.738 -0.014 0.000 1.445 345 Q HN 1.032 nan 8.270 nan 0.000 0.411 346 G N 0.049 108.938 108.800 0.148 0.000 2.531 346 G HA2 0.751 4.711 3.960 -0.000 0.000 0.253 346 G HA3 0.751 4.711 3.960 -0.000 0.000 0.253 346 G C -1.158 173.881 174.900 0.232 0.000 1.439 346 G CA 0.079 45.330 45.100 0.252 0.000 1.056 346 G HN 0.619 nan 8.290 nan 0.000 0.555 347 A N -1.403 121.604 122.820 0.311 0.000 2.574 347 A HA 0.643 4.963 4.320 -0.000 0.000 0.297 347 A C -1.145 176.659 177.584 0.368 0.000 1.062 347 A CA -0.559 51.666 52.037 0.312 0.000 0.686 347 A CB 1.149 20.383 19.000 0.389 0.000 1.285 347 A HN 0.540 nan 8.150 nan 0.000 0.403 348 I N 1.895 122.619 120.570 0.256 0.000 2.339 348 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 348 I C 0.936 177.200 176.117 0.245 0.000 0.994 348 I CA -0.519 60.924 61.300 0.238 0.000 1.191 348 I CB 1.875 39.951 38.000 0.127 0.000 1.343 348 I HN 0.709 nan 8.210 nan 0.000 0.458 349 S N 5.675 121.621 115.700 0.410 0.000 2.563 349 S HA 0.023 4.493 4.470 -0.000 0.000 0.294 349 S C 1.198 175.876 174.600 0.129 0.000 1.279 349 S CA 0.166 58.583 58.200 0.363 0.000 1.069 349 S CB 0.499 64.019 63.200 0.534 0.000 0.828 349 S HN 0.693 nan 8.310 nan 0.000 0.497 350 R N 2.328 122.832 120.500 0.006 0.000 2.161 350 R HA 0.039 4.379 4.340 -0.000 0.000 0.213 350 R C 1.657 177.972 176.300 0.025 0.000 1.055 350 R CA 1.066 57.160 56.100 -0.010 0.000 0.996 350 R CB -0.031 30.225 30.300 -0.074 0.000 0.901 350 R HN 0.669 nan 8.270 nan 0.000 0.456 351 E N -1.018 119.213 120.200 0.053 0.000 2.072 351 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 351 E C 1.586 178.234 176.600 0.080 0.000 0.982 351 E CA 1.863 58.303 56.400 0.068 0.000 0.803 351 E CB 0.156 29.912 29.700 0.093 0.000 0.755 351 E HN 0.400 nan 8.360 nan 0.000 0.453 352 T N -3.804 110.819 114.554 0.115 0.000 3.043 352 T HA 0.145 4.495 4.350 -0.000 0.000 0.272 352 T C 0.144 174.897 174.700 0.088 0.000 0.990 352 T CA 0.020 62.181 62.100 0.102 0.000 0.897 352 T CB 0.122 69.064 68.868 0.123 0.000 1.111 352 T HN 0.050 nan 8.240 nan 0.000 0.529 353 Q N 0.944 120.802 119.800 0.096 0.000 2.481 353 Q HA -0.159 4.181 4.340 -0.000 0.000 0.258 353 Q C -0.565 175.464 176.000 0.048 0.000 0.961 353 Q CA 0.783 56.628 55.803 0.071 0.000 1.121 353 Q CB -2.190 26.574 28.738 0.044 0.000 1.503 353 Q HN 0.677 nan 8.270 nan 0.000 0.544 354 N N 0.239 118.971 118.700 0.053 0.000 2.479 354 N HA 0.402 5.142 4.740 -0.000 0.000 0.285 354 N C 0.147 175.501 175.510 -0.260 0.000 1.075 354 N CA 0.345 53.323 53.050 -0.121 0.000 0.967 354 N CB 1.172 39.546 38.487 -0.188 0.000 1.137 354 N HN 0.257 nan 8.380 nan 0.000 0.472 355 G N 1.703 110.338 108.800 -0.275 0.000 2.339 355 G HA2 0.411 4.371 3.960 -0.000 0.000 0.287 355 G HA3 0.411 4.371 3.960 -0.000 0.000 0.287 355 G C -1.224 173.496 174.900 -0.299 0.000 1.163 355 G CA -0.102 44.921 45.100 -0.128 0.000 0.872 355 G HN 0.463 nan 8.290 nan 0.000 0.464 356 Y N 0.904 121.346 120.300 0.236 0.000 2.425 356 Y HA 0.587 5.136 4.550 -0.000 0.000 0.344 356 Y C -0.375 175.698 175.900 0.290 0.000 0.969 356 Y CA -0.913 57.279 58.100 0.153 0.000 1.052 356 Y CB 2.311 40.752 38.460 -0.030 0.000 1.215 356 Y HN 0.747 nan 8.280 nan 0.000 0.451 357 Y N -1.110 119.375 120.300 0.309 0.000 2.521 357 Y HA 0.705 5.255 4.550 -0.000 0.000 0.332 357 Y C -1.795 174.280 175.900 0.291 0.000 1.121 357 Y CA -1.738 56.509 58.100 0.245 0.000 1.037 357 Y CB 0.285 38.851 38.460 0.176 0.000 1.330 357 Y HN 0.327 nan 8.280 nan 0.000 0.452 358 V N 4.209 124.385 119.914 0.437 0.000 2.555 358 V HA 0.168 4.288 4.120 -0.000 0.000 0.286 358 V C 0.682 177.056 176.094 0.466 0.000 1.044 358 V CA -0.349 62.209 62.300 0.431 0.000 1.026 358 V CB 1.335 33.389 31.823 0.384 0.000 0.981 358 V HN 0.951 nan 8.190 nan 0.000 0.480 359 K N 2.126 122.769 120.400 0.404 0.000 2.308 359 K HA 0.161 4.481 4.320 -0.000 0.000 0.197 359 K C 0.447 177.201 176.600 0.256 0.000 1.049 359 K CA 0.661 57.144 56.287 0.327 0.000 0.991 359 K CB 0.617 33.253 32.500 0.227 0.000 0.836 359 K HN 0.818 nan 8.250 nan 0.000 0.500 360 S N -0.313 115.558 115.700 0.285 0.000 2.547 360 S HA 0.515 4.985 4.470 -0.000 0.000 0.270 360 S C -1.190 173.611 174.600 0.334 0.000 1.150 360 S CA -1.108 57.216 58.200 0.206 0.000 0.850 360 S CB 0.974 64.241 63.200 0.111 0.000 1.118 360 S HN 0.230 nan 8.310 nan 0.000 0.461 361 Y N -0.789 119.670 120.300 0.265 0.000 2.655 361 Y HA 0.855 5.405 4.550 -0.000 0.000 0.336 361 Y C -0.996 175.101 175.900 0.330 0.000 1.154 361 Y CA -1.241 57.017 58.100 0.263 0.000 1.055 361 Y CB 0.821 39.405 38.460 0.206 0.000 1.295 361 Y HN 0.757 nan 8.280 nan 0.000 0.465 362 K N 0.902 121.597 120.400 0.492 0.000 2.306 362 K HA 0.712 5.032 4.320 -0.000 0.000 0.236 362 K C -1.975 174.878 176.600 0.423 0.000 1.013 362 K CA -1.144 55.394 56.287 0.419 0.000 0.857 362 K CB 2.276 34.906 32.500 0.216 0.000 1.214 362 K HN 0.639 nan 8.250 nan 0.000 0.449 363 L N 1.114 122.557 121.223 0.367 0.000 2.372 363 L HA 0.341 4.681 4.340 -0.000 0.000 0.274 363 L C -1.289 175.679 176.870 0.164 0.000 0.988 363 L CA 0.012 55.004 54.840 0.253 0.000 0.833 363 L CB 1.613 43.850 42.059 0.297 0.000 1.236 363 L HN 0.549 nan 8.230 nan 0.000 0.410 364 E N 4.102 124.354 120.200 0.088 0.000 2.166 364 E HA 0.629 4.979 4.350 -0.000 0.000 0.275 364 E C -1.036 175.719 176.600 0.259 0.000 0.941 364 E CA -0.685 55.787 56.400 0.120 0.000 0.784 364 E CB 2.320 31.986 29.700 -0.056 0.000 1.115 364 E HN 0.545 nan 8.360 nan 0.000 0.399 365 V N -0.203 119.866 119.914 0.258 0.000 3.046 365 V HA 0.874 4.994 4.120 -0.000 0.000 0.316 365 V C -0.384 175.722 176.094 0.020 0.000 1.104 365 V CA -0.656 61.761 62.300 0.196 0.000 1.006 365 V CB 1.929 33.794 31.823 0.070 0.000 1.058 365 V HN 0.561 nan 8.190 nan 0.000 0.440 366 S N 0.102 115.676 115.700 -0.210 0.000 2.542 366 S HA 0.472 4.942 4.470 -0.000 0.000 0.276 366 S C 0.433 174.880 174.600 -0.255 0.000 1.148 366 S CA 0.195 58.069 58.200 -0.543 0.000 0.886 366 S CB 1.840 64.091 63.200 -1.583 0.000 1.109 366 S HN 1.688 nan 8.310 nan 0.000 0.458 367 T N 0.758 115.179 114.554 -0.222 0.000 3.081 367 T HA 0.127 4.477 4.350 -0.000 0.000 0.255 367 T C 0.825 175.515 174.700 -0.016 0.000 1.113 367 T CA 1.127 63.187 62.100 -0.066 0.000 1.082 367 T CB -0.545 68.283 68.868 -0.067 0.000 0.939 367 T HN 0.714 nan 8.240 nan 0.000 0.506 368 N N -0.413 118.150 118.700 -0.229 0.000 2.075 368 N HA 0.287 5.027 4.740 -0.000 0.000 0.226 368 N C 1.368 176.436 175.510 -0.737 0.000 1.343 368 N CA 0.413 53.311 53.050 -0.255 0.000 0.881 368 N CB 0.083 38.454 38.487 -0.194 0.000 1.100 368 N HN 0.428 nan 8.380 nan 0.000 0.495 369 G N 0.226 108.210 108.800 -1.360 0.000 2.175 369 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.244 369 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.244 369 G C 0.569 175.045 174.900 -0.707 0.000 0.982 369 G CA 0.607 44.750 45.100 -1.595 0.000 0.641 369 G HN 0.533 nan 8.290 nan 0.000 0.527 370 E N -0.350 119.464 120.200 -0.643 0.000 2.354 370 E HA 0.148 4.498 4.350 -0.000 0.000 0.203 370 E C -0.329 176.130 176.600 -0.236 0.000 0.841 370 E CA 0.157 56.408 56.400 -0.249 0.000 1.046 370 E CB 0.556 30.165 29.700 -0.152 0.000 1.040 370 E HN 0.309 nan 8.360 nan 0.000 0.504 371 D N 0.442 120.593 120.400 -0.414 0.000 2.373 371 D HA 0.170 4.810 4.640 -0.000 0.000 0.227 371 D C -1.233 174.809 176.300 -0.431 0.000 1.091 371 D CA -0.143 53.736 54.000 -0.202 0.000 0.840 371 D CB 0.377 41.136 40.800 -0.069 0.000 1.060 371 D HN 0.110 nan 8.370 nan 0.000 0.502 372 W N 1.809 123.098 121.300 -0.019 0.000 2.570 372 W HA 0.507 5.167 4.660 -0.000 0.000 0.337 372 W C 0.338 176.809 176.519 -0.080 0.000 1.067 372 W CA -1.005 56.294 57.345 -0.077 0.000 1.229 372 W CB 1.785 31.193 29.460 -0.086 0.000 1.355 372 W HN 0.004 nan 8.180 nan 0.000 0.555 373 M N 2.924 122.557 119.600 0.055 0.000 2.263 373 M HA 0.442 4.922 4.480 -0.000 0.000 0.295 373 M C -1.700 174.594 176.300 -0.009 0.000 1.028 373 M CA -0.749 54.447 55.300 -0.174 0.000 0.921 373 M CB 1.312 33.453 32.600 -0.766 0.000 1.601 373 M HN 0.152 nan 8.290 nan 0.000 0.440 374 V N 5.893 125.806 119.914 -0.001 0.000 2.427 374 V HA 0.098 4.218 4.120 -0.000 0.000 0.268 374 V C -0.242 175.897 176.094 0.075 0.000 1.046 374 V CA -0.315 61.969 62.300 -0.027 0.000 0.970 374 V CB 0.084 31.706 31.823 -0.335 0.000 1.001 374 V HN 0.769 nan 8.190 nan 0.000 0.476 375 Y N 6.597 126.916 120.300 0.033 0.000 2.903 375 Y HA 0.056 4.606 4.550 -0.000 0.000 0.338 375 Y C 0.859 176.826 175.900 0.112 0.000 1.265 375 Y CA 0.623 58.774 58.100 0.085 0.000 1.532 375 Y CB 0.242 38.806 38.460 0.175 0.000 1.293 375 Y HN 0.566 nan 8.280 nan 0.000 0.609 376 R N 3.476 123.794 120.500 -0.303 0.000 2.803 376 R HA 0.237 4.577 4.340 -0.000 0.000 0.276 376 R C -1.196 175.036 176.300 -0.114 0.000 0.978 376 R CA -0.992 55.046 56.100 -0.104 0.000 0.939 376 R CB 1.560 31.846 30.300 -0.023 0.000 1.179 376 R HN 0.707 nan 8.270 nan 0.000 0.472 377 H N 1.415 120.440 119.070 -0.075 0.000 2.530 377 H HA 0.199 4.755 4.556 -0.000 0.000 0.246 377 H C 0.337 175.622 175.328 -0.072 0.000 1.346 377 H CA 0.765 56.775 56.048 -0.064 0.000 1.424 377 H CB 0.438 30.159 29.762 -0.068 0.000 1.445 377 H HN 0.957 nan 8.280 nan 0.000 0.511 378 G N 4.195 112.840 108.800 -0.258 0.000 2.552 378 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.267 378 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.267 378 G C 0.973 175.827 174.900 -0.075 0.000 1.174 378 G CA 0.346 45.328 45.100 -0.197 0.000 0.955 378 G HN 0.492 nan 8.290 nan 0.000 0.546 379 K N 1.554 121.922 120.400 -0.053 0.000 2.007 379 K HA 0.004 4.324 4.320 -0.000 0.000 0.206 379 K C 1.332 177.931 176.600 -0.001 0.000 1.047 379 K CA 1.420 57.697 56.287 -0.017 0.000 0.937 379 K CB -0.254 32.234 32.500 -0.020 0.000 0.718 379 K HN 0.663 nan 8.250 nan 0.000 0.438 380 N N 0.529 119.229 118.700 -0.000 0.000 2.530 380 N HA 0.083 4.823 4.740 -0.000 0.000 0.283 380 N C -0.445 175.111 175.510 0.077 0.000 1.238 380 N CA -0.537 52.499 53.050 -0.022 0.000 0.971 380 N CB 0.157 38.615 38.487 -0.047 0.000 1.195 380 N HN 0.077 nan 8.380 nan 0.000 0.583 381 H N -0.636 118.463 119.070 0.048 0.000 2.948 381 H HA 0.005 4.561 4.556 -0.000 0.000 0.351 381 H C 0.058 175.406 175.328 0.033 0.000 1.079 381 H CA -0.039 56.043 56.048 0.057 0.000 1.407 381 H CB 0.769 30.576 29.762 0.075 0.000 1.373 381 H HN 0.416 nan 8.280 nan 0.000 0.605 382 K N 2.462 122.950 120.400 0.147 0.000 2.276 382 K HA 0.213 4.533 4.320 -0.000 0.000 0.285 382 K C -1.363 175.156 176.600 -0.135 0.000 1.062 382 K CA -0.406 55.851 56.287 -0.050 0.000 0.918 382 K CB 0.676 33.110 32.500 -0.111 0.000 1.055 382 K HN 0.276 nan 8.250 nan 0.000 0.477 383 V N 6.545 126.356 119.914 -0.172 0.000 2.370 383 V HA 0.359 4.479 4.120 -0.000 0.000 0.279 383 V C -0.575 175.341 176.094 -0.297 0.000 1.029 383 V CA -0.596 61.627 62.300 -0.128 0.000 0.870 383 V CB 0.303 32.109 31.823 -0.029 0.000 0.984 383 V HN 0.621 nan 8.190 nan 0.000 0.451 384 F N 3.112 122.897 119.950 -0.275 0.000 2.396 384 F HA 0.389 4.916 4.527 -0.000 0.000 0.343 384 F C 0.858 176.437 175.800 -0.369 0.000 1.104 384 F CA -0.439 57.306 58.000 -0.424 0.000 1.161 384 F CB 0.812 39.269 39.000 -0.906 0.000 1.146 384 F HN 0.354 nan 8.300 nan 0.000 0.522 385 Q N 2.621 122.404 119.800 -0.028 0.000 2.293 385 Q HA 0.443 4.783 4.340 -0.000 0.000 0.263 385 Q C 0.219 176.256 176.000 0.061 0.000 1.002 385 Q CA -0.163 55.649 55.803 0.015 0.000 0.910 385 Q CB 1.501 30.252 28.738 0.021 0.000 1.185 385 Q HN 0.865 nan 8.270 nan 0.000 0.401 386 A N 4.237 127.137 122.820 0.133 0.000 3.711 386 A HA 0.372 4.692 4.320 -0.000 0.000 0.185 386 A C 0.050 177.741 177.584 0.178 0.000 1.697 386 A CA -0.283 51.901 52.037 0.244 0.000 1.787 386 A CB 0.096 19.350 19.000 0.423 0.000 1.545 386 A HN 0.737 nan 8.150 nan 0.000 0.553 387 N N 0.131 118.954 118.700 0.205 0.000 2.495 387 N HA 0.340 5.080 4.740 -0.000 0.000 0.280 387 N C -0.467 175.028 175.510 -0.025 0.000 1.168 387 N CA -0.399 52.688 53.050 0.062 0.000 0.978 387 N CB 0.618 39.125 38.487 0.032 0.000 1.191 387 N HN 0.480 nan 8.380 nan 0.000 0.497 388 N N 0.416 118.939 118.700 -0.295 0.000 2.194 388 N HA 0.083 4.823 4.740 -0.000 0.000 0.231 388 N C -1.327 173.702 175.510 -0.802 0.000 1.247 388 N CA 0.108 52.936 53.050 -0.369 0.000 0.884 388 N CB 0.296 38.711 38.487 -0.120 0.000 1.146 388 N HN 0.711 nan 8.380 nan 0.000 0.516 389 D N -2.008 117.672 120.400 -1.199 0.000 2.779 389 D HA 0.309 4.949 4.640 -0.000 0.000 0.331 389 D C -0.190 175.704 176.300 -0.677 0.000 1.331 389 D CA -0.710 52.746 54.000 -0.907 0.000 0.866 389 D CB 0.191 40.787 40.800 -0.340 0.000 1.409 389 D HN -0.186 nan 8.370 nan 0.000 0.486 390 A N -1.139 121.574 122.820 -0.179 0.000 2.238 390 A HA 0.278 4.598 4.320 -0.000 0.000 0.210 390 A C 1.447 179.051 177.584 0.034 0.000 1.179 390 A CA 1.637 53.706 52.037 0.053 0.000 0.827 390 A CB -0.619 18.482 19.000 0.169 0.000 0.856 390 A HN 0.714 nan 8.150 nan 0.000 0.488 391 T N -2.119 112.422 114.554 -0.021 0.000 2.964 391 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 391 T C 0.673 175.376 174.700 0.005 0.000 0.982 391 T CA 0.322 62.430 62.100 0.014 0.000 0.959 391 T CB -0.510 68.374 68.868 0.028 0.000 1.141 391 T HN 0.596 nan 8.240 nan 0.000 0.494 392 E N 1.930 122.110 120.200 -0.033 0.000 2.418 392 E HA 0.373 4.723 4.350 -0.000 0.000 0.261 392 E C -0.844 175.750 176.600 -0.010 0.000 1.070 392 E CA -0.701 55.688 56.400 -0.019 0.000 0.931 392 E CB 0.742 30.414 29.700 -0.045 0.000 0.954 392 E HN 0.122 nan 8.360 nan 0.000 0.439 393 V N 2.998 122.918 119.914 0.011 0.000 2.472 393 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 393 V C -0.273 175.833 176.094 0.020 0.000 1.037 393 V CA -0.847 61.458 62.300 0.008 0.000 0.908 393 V CB 1.594 33.426 31.823 0.014 0.000 0.985 393 V HN 0.569 nan 8.190 nan 0.000 0.454 394 V N 5.790 125.725 119.914 0.035 0.000 2.483 394 V HA 0.455 4.575 4.120 -0.000 0.000 0.297 394 V C -0.662 175.466 176.094 0.057 0.000 1.027 394 V CA -0.546 61.781 62.300 0.045 0.000 0.855 394 V CB 1.750 33.611 31.823 0.063 0.000 0.995 394 V HN 0.683 nan 8.190 nan 0.000 0.424 395 L N 5.770 127.007 121.223 0.022 0.000 2.287 395 L HA 0.644 4.984 4.340 -0.000 0.000 0.287 395 L C -0.359 176.512 176.870 0.002 0.000 1.022 395 L CA 0.190 55.020 54.840 -0.016 0.000 0.814 395 L CB 1.437 43.430 42.059 -0.110 0.000 1.217 395 L HN 0.525 nan 8.230 nan 0.000 0.420 396 N N 5.020 123.733 118.700 0.021 0.000 2.476 396 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 396 N C -0.941 174.586 175.510 0.030 0.000 0.970 396 N CA -0.426 52.664 53.050 0.066 0.000 0.938 396 N CB 1.676 40.222 38.487 0.098 0.000 1.144 396 N HN 0.541 nan 8.380 nan 0.000 0.500 397 K N 2.319 122.747 120.400 0.047 0.000 2.297 397 K HA 0.293 4.613 4.320 -0.000 0.000 0.286 397 K C 0.307 176.979 176.600 0.120 0.000 1.053 397 K CA -0.453 55.854 56.287 0.034 0.000 0.940 397 K CB 1.383 33.895 32.500 0.020 0.000 1.019 397 K HN 0.328 nan 8.250 nan 0.000 0.475 398 L N 4.496 125.760 121.223 0.068 0.000 2.499 398 L HA -0.034 4.306 4.340 -0.000 0.000 0.273 398 L C 1.812 178.755 176.870 0.121 0.000 1.195 398 L CA 0.031 54.914 54.840 0.072 0.000 0.882 398 L CB 0.013 42.005 42.059 -0.112 0.000 1.133 398 L HN 0.823 nan 8.230 nan 0.000 0.483 399 H N 1.999 121.235 119.070 0.277 0.000 2.457 399 H HA 0.125 4.681 4.556 -0.000 0.000 0.294 399 H C 0.506 175.959 175.328 0.208 0.000 1.064 399 H CA 0.687 56.861 56.048 0.210 0.000 1.330 399 H CB 0.148 30.034 29.762 0.207 0.000 1.395 399 H HN 0.569 nan 8.280 nan 0.000 0.541 400 A N 1.672 124.345 122.820 -0.245 0.000 2.293 400 A HA 0.427 4.747 4.320 -0.000 0.000 0.312 400 A C -2.700 174.933 177.584 0.082 0.000 1.309 400 A CA -1.863 50.169 52.037 -0.009 0.000 0.839 400 A CB 0.541 19.499 19.000 -0.069 0.000 1.155 400 A HN 0.171 nan 8.150 nan 0.000 0.501 401 P HA 0.212 nan 4.420 nan 0.000 0.266 401 P C -0.698 176.646 177.300 0.074 0.000 1.195 401 P CA 0.315 63.447 63.100 0.053 0.000 0.768 401 P CB 0.525 32.256 31.700 0.052 0.000 0.838 402 L N 2.941 124.194 121.223 0.049 0.000 2.362 402 L HA 0.409 4.749 4.340 -0.000 0.000 0.275 402 L C -0.379 176.513 176.870 0.036 0.000 0.998 402 L CA -1.144 53.731 54.840 0.058 0.000 0.820 402 L CB 1.764 43.846 42.059 0.039 0.000 1.270 402 L HN 0.202 nan 8.230 nan 0.000 0.415 403 L N 3.511 124.756 121.223 0.037 0.000 2.257 403 L HA 0.623 4.963 4.340 -0.000 0.000 0.290 403 L C -0.114 176.762 176.870 0.011 0.000 1.044 403 L CA 0.717 55.572 54.840 0.026 0.000 0.810 403 L CB 1.258 43.336 42.059 0.031 0.000 1.193 403 L HN 0.648 nan 8.230 nan 0.000 0.425 404 T N 3.486 118.044 114.554 0.006 0.000 2.711 404 T HA 0.424 4.774 4.350 -0.000 0.000 0.302 404 T C 0.209 174.902 174.700 -0.011 0.000 1.373 404 T CA -0.284 61.813 62.100 -0.005 0.000 1.000 404 T CB 1.369 70.237 68.868 -0.000 0.000 1.483 404 T HN 0.724 nan 8.240 nan 0.000 0.499 405 R N -0.431 120.063 120.500 -0.010 0.000 2.302 405 R HA 0.408 4.747 4.340 -0.000 0.000 0.187 405 R C -0.579 175.596 176.300 -0.208 0.000 0.904 405 R CA 0.046 56.087 56.100 -0.099 0.000 1.105 405 R CB 0.384 30.628 30.300 -0.094 0.000 1.239 405 R HN 0.442 nan 8.270 nan 0.000 0.620 406 F N 1.348 121.224 119.950 -0.123 0.000 2.421 406 F HA 0.474 5.001 4.527 -0.000 0.000 0.337 406 F C -0.249 175.574 175.800 0.038 0.000 1.105 406 F CA -0.758 57.211 58.000 -0.052 0.000 1.049 406 F CB 2.065 41.010 39.000 -0.093 0.000 1.139 406 F HN -0.298 nan 8.300 nan 0.000 0.479 407 V N 3.748 123.794 119.914 0.219 0.000 2.604 407 V HA 0.568 4.688 4.120 -0.000 0.000 0.305 407 V C -0.445 175.715 176.094 0.110 0.000 1.043 407 V CA -1.017 61.372 62.300 0.149 0.000 0.888 407 V CB 2.179 34.011 31.823 0.014 0.000 0.995 407 V HN 0.652 nan 8.190 nan 0.000 0.429 408 R N 4.204 124.733 120.500 0.048 0.000 2.480 408 R HA 0.606 4.946 4.340 -0.000 0.000 0.306 408 R C -1.303 174.949 176.300 -0.081 0.000 0.958 408 R CA -0.771 55.260 56.100 -0.115 0.000 0.861 408 R CB 1.850 31.901 30.300 -0.415 0.000 1.171 408 R HN 0.474 nan 8.270 nan 0.000 0.445 409 I N 3.617 124.128 120.570 -0.099 0.000 2.331 409 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 409 I C 0.266 176.403 176.117 0.033 0.000 0.998 409 I CA -0.463 60.782 61.300 -0.092 0.000 1.267 409 I CB 1.187 39.033 38.000 -0.257 0.000 1.386 409 I HN 0.479 nan 8.210 nan 0.000 0.476 410 R N 6.789 127.375 120.500 0.144 0.000 2.358 410 R HA 0.398 4.738 4.340 -0.000 0.000 0.309 410 R C -2.566 173.911 176.300 0.295 0.000 1.026 410 R CA -1.686 54.538 56.100 0.207 0.000 0.909 410 R CB 1.418 31.817 30.300 0.166 0.000 1.153 410 R HN 0.304 nan 8.270 nan 0.000 0.515 411 P HA 0.006 nan 4.420 nan 0.000 0.268 411 P C -0.051 177.526 177.300 0.461 0.000 1.205 411 P CA -0.045 63.291 63.100 0.392 0.000 0.771 411 P CB 1.028 32.913 31.700 0.308 0.000 0.858 412 Q N 0.463 120.541 119.800 0.464 0.000 2.548 412 Q HA 0.109 4.449 4.340 -0.000 0.000 0.230 412 Q C 0.752 176.884 176.000 0.220 0.000 0.899 412 Q CA 1.243 57.259 55.803 0.354 0.000 0.936 412 Q CB -0.078 28.794 28.738 0.222 0.000 1.114 412 Q HN 0.592 nan 8.270 nan 0.000 0.606 413 T N -1.706 112.954 114.554 0.176 0.000 2.916 413 T HA 0.675 5.025 4.350 -0.000 0.000 0.292 413 T C -1.000 173.813 174.700 0.188 0.000 1.064 413 T CA -0.803 61.194 62.100 -0.170 0.000 1.011 413 T CB 1.910 70.679 68.868 -0.166 0.000 1.152 413 T HN 0.306 nan 8.240 nan 0.000 0.510 414 W N -0.744 120.577 121.300 0.036 0.000 2.989 414 W HA 0.634 5.293 4.660 -0.000 0.000 0.344 414 W C -1.696 174.769 176.519 -0.090 0.000 1.233 414 W CA -1.023 56.318 57.345 -0.006 0.000 1.187 414 W CB 0.635 30.087 29.460 -0.013 0.000 1.443 414 W HN 0.966 nan 8.180 nan 0.000 0.573 415 H N 1.239 120.238 119.070 -0.119 0.000 2.539 415 H HA 0.353 4.909 4.556 -0.000 0.000 0.332 415 H C 0.485 175.741 175.328 -0.119 0.000 1.031 415 H CA 0.540 56.393 56.048 -0.326 0.000 1.206 415 H CB 2.031 31.222 29.762 -0.952 0.000 1.446 415 H HN 0.779 nan 8.280 nan 0.000 0.496 416 S N 2.269 117.750 115.700 -0.365 0.000 2.314 416 S HA -0.257 4.213 4.470 -0.000 0.000 0.232 416 S C 0.783 175.485 174.600 0.171 0.000 1.223 416 S CA 1.668 59.793 58.200 -0.125 0.000 1.673 416 S CB -1.258 61.815 63.200 -0.211 0.000 2.201 416 S HN 1.221 nan 8.310 nan 0.000 0.619 417 G N -0.619 108.316 108.800 0.225 0.000 2.338 417 G HA2 0.481 4.441 3.960 -0.000 0.000 0.295 417 G HA3 0.481 4.441 3.960 -0.000 0.000 0.295 417 G C -1.429 173.306 174.900 -0.275 0.000 1.461 417 G CA -0.777 44.254 45.100 -0.116 0.000 0.817 417 G HN 0.353 nan 8.290 nan 0.000 0.556 418 I N 1.303 121.473 120.570 -0.668 0.000 2.379 418 I HA 0.506 4.676 4.170 -0.000 0.000 0.290 418 I C 0.594 176.460 176.117 -0.418 0.000 1.063 418 I CA 0.001 60.988 61.300 -0.522 0.000 1.351 418 I CB 1.194 38.761 38.000 -0.722 0.000 1.410 418 I HN 0.729 nan 8.210 nan 0.000 0.505 419 A N 8.045 130.795 122.820 -0.117 0.000 2.437 419 A HA 0.789 5.109 4.320 -0.000 0.000 0.293 419 A C -1.075 176.622 177.584 0.189 0.000 1.038 419 A CA -0.438 51.600 52.037 0.001 0.000 0.708 419 A CB 1.134 20.177 19.000 0.072 0.000 1.251 419 A HN 0.633 nan 8.150 nan 0.000 0.409 420 L N 2.057 123.443 121.223 0.271 0.000 2.362 420 L HA 0.713 5.053 4.340 -0.000 0.000 0.271 420 L C 0.101 177.093 176.870 0.202 0.000 1.002 420 L CA -0.617 54.371 54.840 0.246 0.000 0.818 420 L CB 2.351 44.575 42.059 0.274 0.000 1.298 420 L HN 0.844 nan 8.230 nan 0.000 0.420 421 R N 2.205 122.772 120.500 0.112 0.000 2.807 421 R HA 0.811 5.151 4.340 -0.000 0.000 0.276 421 R C -1.724 174.567 176.300 -0.015 0.000 0.979 421 R CA -0.935 55.192 56.100 0.045 0.000 0.928 421 R CB 2.817 33.131 30.300 0.023 0.000 1.191 421 R HN 0.322 nan 8.270 nan 0.000 0.471 422 L N 0.870 122.061 121.223 -0.054 0.000 2.472 422 L HA 0.522 4.862 4.340 -0.000 0.000 0.260 422 L C -1.579 175.227 176.870 -0.106 0.000 0.963 422 L CA -0.425 54.362 54.840 -0.088 0.000 0.829 422 L CB 2.219 44.209 42.059 -0.116 0.000 1.348 422 L HN 0.625 nan 8.230 nan 0.000 0.408 423 E N 2.912 123.051 120.200 -0.101 0.000 2.312 423 E HA 0.766 5.116 4.350 -0.000 0.000 0.267 423 E C -1.931 174.544 176.600 -0.209 0.000 0.894 423 E CA -0.389 55.889 56.400 -0.204 0.000 0.773 423 E CB 1.820 31.359 29.700 -0.268 0.000 1.241 423 E HN 0.648 nan 8.360 nan 0.000 0.432 424 L N 3.081 124.091 121.223 -0.356 0.000 2.362 424 L HA 0.609 4.949 4.340 -0.000 0.000 0.271 424 L C -0.850 175.747 176.870 -0.456 0.000 1.002 424 L CA -0.885 53.816 54.840 -0.232 0.000 0.818 424 L CB 1.111 43.077 42.059 -0.155 0.000 1.298 424 L HN 0.486 nan 8.230 nan 0.000 0.420 425 F N 0.296 120.213 119.950 -0.055 0.000 2.538 425 F HA 0.893 5.420 4.527 -0.000 0.000 0.325 425 F C 0.749 176.528 175.800 -0.035 0.000 1.066 425 F CA -0.354 57.623 58.000 -0.038 0.000 0.946 425 F CB 2.185 41.162 39.000 -0.039 0.000 1.199 425 F HN 0.556 nan 8.300 nan 0.000 0.473 426 G N -0.537 108.345 108.800 0.137 0.000 2.498 426 G HA2 0.480 4.440 3.960 -0.000 0.000 0.181 426 G HA3 0.480 4.440 3.960 -0.000 0.000 0.181 426 G C -1.566 173.389 174.900 0.093 0.000 1.169 426 G CA -0.103 45.050 45.100 0.088 0.000 0.992 426 G HN 1.372 nan 8.290 nan 0.000 0.490 427 c N -1.664 116.992 118.600 0.094 0.000 3.216 427 c HA 0.850 5.420 4.570 -0.000 0.000 0.346 427 c C -0.594 173.551 174.090 0.091 0.000 1.384 427 c CA -1.090 55.321 56.329 0.137 0.000 1.208 427 c CB 0.801 43.478 42.510 0.277 0.000 1.483 427 c HN 1.053 nan 8.230 nan 0.000 0.453 428 R N 0.777 121.319 120.500 0.070 0.000 2.404 428 R HA 0.523 4.863 4.340 -0.000 0.000 0.291 428 R C 1.221 177.536 176.300 0.026 0.000 1.025 428 R CA -0.264 55.849 56.100 0.023 0.000 0.991 428 R CB 1.509 31.790 30.300 -0.032 0.000 1.053 428 R HN 0.644 nan 8.270 nan 0.000 0.479 429 V N 1.250 121.174 119.914 0.017 0.000 2.313 429 V HA -0.335 3.785 4.120 -0.000 0.000 0.253 429 V C 2.073 178.160 176.094 -0.011 0.000 1.070 429 V CA 2.565 64.872 62.300 0.011 0.000 1.057 429 V CB -0.830 30.996 31.823 0.004 0.000 0.653 429 V HN 1.007 nan 8.190 nan 0.000 0.450 430 T N -3.423 111.107 114.554 -0.040 0.000 3.284 430 T HA -0.055 4.295 4.350 -0.000 0.000 0.252 430 T C 1.077 175.716 174.700 -0.102 0.000 1.144 430 T CA 0.768 62.827 62.100 -0.068 0.000 1.021 430 T CB -0.373 68.443 68.868 -0.088 0.000 0.984 430 T HN 0.437 nan 8.240 nan 0.000 0.545 431 D N 1.618 121.963 120.400 -0.092 0.000 2.347 431 D HA 0.264 4.904 4.640 -0.000 0.000 0.213 431 D C 0.994 177.180 176.300 -0.189 0.000 0.985 431 D CA 0.216 54.089 54.000 -0.211 0.000 0.879 431 D CB 0.104 40.781 40.800 -0.205 0.000 0.919 431 D HN 0.661 nan 8.370 nan 0.000 0.526 432 A N 1.489 124.279 122.820 -0.049 0.000 2.316 432 A HA 0.481 4.801 4.320 -0.000 0.000 0.284 432 A C -2.274 175.285 177.584 -0.042 0.000 1.115 432 A CA -1.199 50.833 52.037 -0.009 0.000 0.812 432 A CB 0.260 19.279 19.000 0.031 0.000 1.064 432 A HN -0.131 nan 8.150 nan 0.000 0.489 433 P HA 0.031 nan 4.420 nan 0.000 0.266 433 P C 0.220 177.504 177.300 -0.026 0.000 1.186 433 P CA 0.304 63.386 63.100 -0.030 0.000 0.767 433 P CB 0.096 31.789 31.700 -0.012 0.000 0.820 434 c N 2.770 121.355 118.600 -0.025 0.000 2.656 434 c HA -0.128 4.442 4.570 -0.000 0.000 0.226 434 c C 0.899 174.974 174.090 -0.025 0.000 1.302 434 c CA 1.407 57.726 56.329 -0.016 0.000 2.531 434 c CB -2.645 39.862 42.510 -0.004 0.000 1.576 434 c HN 0.641 nan 8.230 nan 0.000 0.379 435 S N 3.435 119.116 115.700 -0.032 0.000 2.949 435 S HA 0.259 4.729 4.470 -0.000 0.000 0.246 435 S C -0.025 174.555 174.600 -0.034 0.000 0.899 435 S CA -0.369 57.809 58.200 -0.038 0.000 1.091 435 S CB -0.272 62.906 63.200 -0.037 0.000 1.199 435 S HN 0.849 nan 8.310 nan 0.000 0.507 436 N N 1.702 120.386 118.700 -0.027 0.000 2.525 436 N HA 0.220 4.960 4.740 -0.000 0.000 0.271 436 N C -0.174 175.327 175.510 -0.015 0.000 1.194 436 N CA 0.193 53.228 53.050 -0.025 0.000 0.964 436 N CB 0.524 38.999 38.487 -0.019 0.000 1.126 436 N HN 0.475 nan 8.380 nan 0.000 0.452 437 M N 2.431 122.023 119.600 -0.014 0.000 2.184 437 M HA 0.063 4.543 4.480 -0.000 0.000 0.351 437 M C 1.126 177.428 176.300 0.002 0.000 1.395 437 M CA 0.018 55.317 55.300 -0.003 0.000 1.117 437 M CB 0.515 33.117 32.600 0.003 0.000 1.708 437 M HN 0.351 nan 8.290 nan 0.000 0.468 438 L N 2.460 123.688 121.223 0.007 0.000 2.554 438 L HA 0.158 4.498 4.340 -0.000 0.000 0.226 438 L C 1.294 178.167 176.870 0.005 0.000 1.137 438 L CA 0.389 55.234 54.840 0.008 0.000 0.863 438 L CB -0.064 42.005 42.059 0.015 0.000 0.985 438 L HN 1.105 nan 8.230 nan 0.000 0.451 439 G N -2.140 106.665 108.800 0.008 0.000 2.234 439 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.153 439 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.153 439 G C 0.816 175.720 174.900 0.008 0.000 1.013 439 G CA -0.181 44.924 45.100 0.008 0.000 0.712 439 G HN -0.083 nan 8.290 nan 0.000 0.491 440 M N 0.096 119.702 119.600 0.011 0.000 2.099 440 M HA 0.149 4.629 4.480 -0.000 0.000 0.262 440 M C 2.495 178.803 176.300 0.014 0.000 1.067 440 M CA 1.658 56.964 55.300 0.010 0.000 1.124 440 M CB -1.084 31.524 32.600 0.013 0.000 1.353 440 M HN 0.398 nan 8.290 nan 0.000 0.410 441 L N 0.281 121.518 121.223 0.024 0.000 2.046 441 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 441 L C 2.656 179.552 176.870 0.043 0.000 1.077 441 L CA 1.931 56.792 54.840 0.036 0.000 0.747 441 L CB -0.204 41.883 42.059 0.046 0.000 0.896 441 L HN 0.421 nan 8.230 nan 0.000 0.432 442 S N -1.539 114.184 115.700 0.040 0.000 2.406 442 S HA 0.159 4.629 4.470 -0.000 0.000 0.224 442 S C 1.544 176.158 174.600 0.024 0.000 1.030 442 S CA 0.554 58.783 58.200 0.048 0.000 0.958 442 S CB 0.427 63.654 63.200 0.045 0.000 0.811 442 S HN 0.695 nan 8.310 nan 0.000 0.489 443 G N 0.418 109.222 108.800 0.007 0.000 2.192 443 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.193 443 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.193 443 G C 0.459 175.353 174.900 -0.010 0.000 0.999 443 G CA 0.182 45.275 45.100 -0.011 0.000 0.659 443 G HN 0.451 nan 8.290 nan 0.000 0.503 444 L N 1.032 122.254 121.223 -0.002 0.000 2.362 444 L HA 0.412 4.752 4.340 -0.000 0.000 0.219 444 L C 1.285 178.149 176.870 -0.010 0.000 1.134 444 L CA 1.153 55.990 54.840 -0.004 0.000 0.807 444 L CB -0.013 42.047 42.059 0.001 0.000 0.927 444 L HN 0.416 nan 8.230 nan 0.000 0.447 445 I N 0.610 121.174 120.570 -0.011 0.000 2.307 445 I HA 0.252 4.421 4.170 -0.000 0.000 0.287 445 I C 0.570 176.678 176.117 -0.016 0.000 1.054 445 I CA -0.607 60.684 61.300 -0.015 0.000 1.218 445 I CB 0.659 38.652 38.000 -0.012 0.000 1.398 445 I HN 0.033 nan 8.210 nan 0.000 0.475 446 A N 4.360 127.171 122.820 -0.016 0.000 2.448 446 A HA 0.028 4.348 4.320 -0.000 0.000 0.239 446 A C 1.009 178.582 177.584 -0.018 0.000 1.080 446 A CA -0.089 51.938 52.037 -0.016 0.000 0.779 446 A CB 0.179 19.173 19.000 -0.009 0.000 1.026 446 A HN 0.769 nan 8.150 nan 0.000 0.499 447 D N 0.743 121.124 120.400 -0.032 0.000 2.170 447 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 447 D C 2.068 178.360 176.300 -0.013 0.000 1.004 447 D CA 2.468 56.436 54.000 -0.053 0.000 0.860 447 D CB -0.250 40.508 40.800 -0.070 0.000 0.931 447 D HN 0.630 nan 8.370 nan 0.000 0.448 448 S N -0.644 115.062 115.700 0.011 0.000 2.603 448 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 448 S C 1.309 175.942 174.600 0.054 0.000 0.972 448 S CA 0.333 58.558 58.200 0.041 0.000 0.935 448 S CB -0.088 63.135 63.200 0.038 0.000 0.769 448 S HN 0.334 nan 8.310 nan 0.000 0.536 449 Q N 0.161 119.985 119.800 0.039 0.000 2.217 449 Q HA 0.402 4.742 4.340 -0.000 0.000 0.217 449 Q C -0.325 175.717 176.000 0.068 0.000 0.844 449 Q CA 0.051 55.880 55.803 0.042 0.000 0.957 449 Q CB 0.560 29.298 28.738 -0.001 0.000 1.127 449 Q HN 0.584 nan 8.270 nan 0.000 0.503 450 I N 1.955 122.570 120.570 0.075 0.000 2.330 450 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 450 I C -0.080 176.147 176.117 0.183 0.000 1.001 450 I CA -0.577 60.783 61.300 0.100 0.000 1.193 450 I CB 1.334 39.366 38.000 0.053 0.000 1.345 450 I HN -0.041 nan 8.210 nan 0.000 0.461 451 S N 4.745 120.565 115.700 0.199 0.000 2.568 451 S HA 0.924 5.394 4.470 -0.000 0.000 0.302 451 S C -0.505 174.172 174.600 0.127 0.000 1.082 451 S CA -0.809 57.533 58.200 0.237 0.000 1.009 451 S CB 2.506 65.882 63.200 0.293 0.000 1.069 451 S HN 0.727 nan 8.310 nan 0.000 0.500 452 A N 1.100 123.884 122.820 -0.061 0.000 2.449 452 A HA 0.708 5.028 4.320 -0.000 0.000 0.302 452 A C 0.951 178.100 177.584 -0.724 0.000 1.048 452 A CA -0.293 51.439 52.037 -0.508 0.000 0.708 452 A CB 1.201 19.708 19.000 -0.822 0.000 1.274 452 A HN 1.452 nan 8.150 nan 0.000 0.410 453 S N 1.079 115.886 115.700 -1.490 0.000 2.372 453 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 453 S C 0.767 174.958 174.600 -0.681 0.000 1.044 453 S CA 1.643 58.827 58.200 -1.693 0.000 1.050 453 S CB -0.593 61.459 63.200 -1.914 0.000 0.901 453 S HN 2.358 nan 8.310 nan 0.000 0.447 454 S N -0.085 115.364 115.700 -0.419 0.000 2.590 454 S HA 0.506 4.975 4.470 -0.000 0.000 0.286 454 S C -0.567 173.909 174.600 -0.206 0.000 1.147 454 S CA -0.450 57.587 58.200 -0.271 0.000 0.963 454 S CB 1.014 64.069 63.200 -0.241 0.000 1.124 454 S HN 0.731 nan 8.310 nan 0.000 0.458 455 T N -0.149 114.212 114.554 -0.321 0.000 2.897 455 T HA 0.571 4.921 4.350 -0.000 0.000 0.278 455 T C 0.425 174.954 174.700 -0.284 0.000 0.981 455 T CA -0.574 61.273 62.100 -0.421 0.000 0.973 455 T CB 1.099 69.444 68.868 -0.873 0.000 1.092 455 T HN 0.911 nan 8.240 nan 0.000 0.543 456 Q N -0.225 119.429 119.800 -0.243 0.000 2.341 456 Q HA 0.566 4.906 4.340 -0.000 0.000 0.325 456 Q C -0.473 175.471 176.000 -0.093 0.000 0.920 456 Q CA -0.591 55.115 55.803 -0.162 0.000 1.065 456 Q CB 0.017 28.650 28.738 -0.175 0.000 1.218 456 Q HN 0.713 nan 8.270 nan 0.000 0.434 461 S N 5.166 120.470 115.700 -0.660 0.000 2.448 461 S HA 0.478 4.948 4.470 -0.000 0.000 0.320 461 S C -1.762 172.031 174.600 -1.346 0.000 1.071 461 S CA -1.347 56.427 58.200 -0.710 0.000 1.113 461 S CB 1.444 64.421 63.200 -0.370 0.000 0.972 461 S HN 0.257 nan 8.310 nan 0.000 0.465 462 P HA -0.012 nan 4.420 nan 0.000 0.220 462 P C 1.272 178.269 177.300 -0.506 0.000 1.148 462 P CA 0.711 63.148 63.100 -1.105 0.000 0.803 462 P CB 0.108 31.502 31.700 -0.509 0.000 0.782 463 S N -0.349 115.135 115.700 -0.361 0.000 2.465 463 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 463 S C 1.888 176.409 174.600 -0.131 0.000 1.000 463 S CA 1.145 59.230 58.200 -0.192 0.000 0.964 463 S CB -0.829 62.274 63.200 -0.161 0.000 0.763 463 S HN 0.191 nan 8.310 nan 0.000 0.512 464 A N 0.710 123.432 122.820 -0.164 0.000 2.168 464 A HA 0.345 4.665 4.320 -0.000 0.000 0.215 464 A C 2.081 179.721 177.584 0.094 0.000 1.152 464 A CA 1.079 53.113 52.037 -0.004 0.000 0.716 464 A CB -0.478 18.561 19.000 0.066 0.000 0.794 464 A HN 0.481 nan 8.150 nan 0.000 0.465 465 A N -0.247 122.624 122.820 0.085 0.000 2.208 465 A HA 0.131 4.451 4.320 -0.000 0.000 0.209 465 A C 1.211 178.835 177.584 0.066 0.000 1.161 465 A CA -0.195 51.926 52.037 0.140 0.000 0.782 465 A CB -0.141 18.948 19.000 0.147 0.000 0.816 465 A HN 0.508 nan 8.150 nan 0.000 0.477 466 R N -0.357 120.161 120.500 0.031 0.000 2.491 466 R HA 0.278 4.618 4.340 -0.000 0.000 0.283 466 R C -0.426 175.892 176.300 0.031 0.000 1.072 466 R CA -0.654 55.458 56.100 0.021 0.000 1.048 466 R CB 0.528 30.832 30.300 0.006 0.000 0.983 466 R HN 0.301 nan 8.270 nan 0.000 0.450 467 L N 4.827 126.066 121.223 0.028 0.000 2.584 467 L HA -0.150 4.190 4.340 -0.000 0.000 0.272 467 L C 0.920 177.808 176.870 0.030 0.000 1.195 467 L CA 0.940 55.797 54.840 0.028 0.000 0.920 467 L CB 0.400 42.474 42.059 0.025 0.000 1.173 467 L HN 0.741 nan 8.230 nan 0.000 0.489 468 V N 2.137 122.068 119.914 0.028 0.000 0.516 468 V HA -0.488 3.632 4.120 -0.000 0.000 0.092 468 V C 2.065 178.178 176.094 0.031 0.000 2.243 468 V CA 2.024 64.338 62.300 0.023 0.000 3.573 468 V CB -1.943 29.895 31.823 0.026 0.000 0.862 468 V HN 0.929 nan 8.190 nan 0.000 0.902 469 S N -0.368 115.356 115.700 0.040 0.000 2.369 469 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 469 S C 1.093 175.716 174.600 0.038 0.000 1.043 469 S CA 1.704 59.932 58.200 0.047 0.000 1.074 469 S CB -0.248 62.977 63.200 0.041 0.000 0.962 469 S HN 1.104 nan 8.310 nan 0.000 0.433 470 S N 0.847 116.565 115.700 0.031 0.000 2.558 470 S HA 0.014 4.484 4.470 -0.000 0.000 0.287 470 S C 0.986 175.612 174.600 0.044 0.000 1.321 470 S CA -0.145 58.075 58.200 0.032 0.000 1.048 470 S CB 0.308 63.534 63.200 0.043 0.000 0.844 470 S HN 0.231 nan 8.310 nan 0.000 0.512 471 R N 1.679 122.207 120.500 0.046 0.000 2.362 471 R HA 0.152 4.492 4.340 -0.000 0.000 0.227 471 R C 1.304 177.655 176.300 0.084 0.000 0.905 471 R CA 0.765 56.897 56.100 0.054 0.000 1.067 471 R CB -0.194 30.130 30.300 0.039 0.000 1.078 471 R HN 0.812 nan 8.270 nan 0.000 0.516 472 S N -1.823 113.941 115.700 0.107 0.000 3.420 472 S HA 0.621 5.091 4.470 -0.000 0.000 0.173 472 S C 0.645 175.337 174.600 0.153 0.000 0.800 472 S CA 0.222 58.525 58.200 0.171 0.000 0.963 472 S CB 1.217 64.546 63.200 0.216 0.000 1.236 472 S HN 0.247 nan 8.310 nan 0.000 0.827 473 G N 0.145 109.030 108.800 0.141 0.000 2.321 473 G HA2 0.276 4.236 3.960 -0.000 0.000 0.339 473 G HA3 0.276 4.236 3.960 -0.000 0.000 0.339 473 G C -2.038 172.889 174.900 0.046 0.000 1.518 473 G CA -0.568 44.539 45.100 0.012 0.000 0.994 473 G HN 0.824 nan 8.290 nan 0.000 0.668 474 W N 1.936 123.154 121.300 -0.136 0.000 2.345 474 W HA 0.755 5.414 4.660 -0.000 0.000 0.308 474 W C -1.181 175.124 176.519 -0.356 0.000 1.273 474 W CA -1.423 55.902 57.345 -0.033 0.000 1.243 474 W CB 0.301 29.789 29.460 0.047 0.000 1.260 474 W HN 0.340 nan 8.180 nan 0.000 0.509 475 F N 8.469 128.004 119.950 -0.692 0.000 2.480 475 F HA 0.489 5.016 4.527 -0.000 0.000 0.329 475 F C -1.311 173.697 175.800 -1.320 0.000 1.091 475 F CA -2.362 55.077 58.000 -0.934 0.000 0.972 475 F CB 1.101 39.825 39.000 -0.460 0.000 1.150 475 F HN 0.215 nan 8.300 nan 0.000 0.467 476 P HA 0.121 nan 4.420 nan 0.000 0.293 476 P C 0.574 177.628 177.300 -0.409 0.000 1.298 476 P CA -0.282 62.363 63.100 -0.759 0.000 0.757 476 P CB 1.083 32.377 31.700 -0.677 0.000 1.262 477 R N -0.266 120.056 120.500 -0.296 0.000 2.055 477 R HA 0.073 4.413 4.340 -0.000 0.000 0.228 477 R C 0.656 176.837 176.300 -0.199 0.000 1.143 477 R CA 1.078 57.046 56.100 -0.219 0.000 0.945 477 R CB -0.485 29.710 30.300 -0.176 0.000 0.841 477 R HN 0.436 nan 8.270 nan 0.000 0.429 478 I N 2.739 123.191 120.570 -0.196 0.000 2.291 478 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 478 I C -1.690 174.296 176.117 -0.220 0.000 1.050 478 I CA -1.974 59.224 61.300 -0.169 0.000 1.245 478 I CB 1.687 39.613 38.000 -0.124 0.000 1.405 478 I HN 0.047 nan 8.210 nan 0.000 0.478 479 P HA -0.201 nan 4.420 nan 0.000 0.216 479 P C 0.250 177.382 177.300 -0.280 0.000 1.154 479 P CA 1.402 64.360 63.100 -0.236 0.000 0.865 479 P CB 0.112 31.709 31.700 -0.171 0.000 0.789 480 Q N -0.752 118.952 119.800 -0.159 0.000 3.035 480 Q HA 0.456 4.796 4.340 -0.000 0.000 0.354 480 Q C 0.264 176.269 176.000 0.008 0.000 1.247 480 Q CA -0.328 55.453 55.803 -0.036 0.000 1.068 480 Q CB 0.448 29.224 28.738 0.063 0.000 1.424 480 Q HN 0.109 nan 8.270 nan 0.000 0.486 481 A N 1.184 123.909 122.820 -0.157 0.000 2.296 481 A HA 0.294 4.614 4.320 -0.000 0.000 0.276 481 A C 0.246 177.937 177.584 0.179 0.000 1.356 481 A CA -0.218 51.779 52.037 -0.067 0.000 0.825 481 A CB 0.516 19.392 19.000 -0.207 0.000 1.308 481 A HN 0.469 nan 8.150 nan 0.000 0.515 482 Q N 0.481 120.376 119.800 0.158 0.000 2.230 482 Q HA 0.392 4.732 4.340 -0.000 0.000 0.253 482 Q C -2.397 173.808 176.000 0.341 0.000 0.919 482 Q CA -1.911 54.038 55.803 0.245 0.000 0.908 482 Q CB 1.158 29.980 28.738 0.140 0.000 1.245 482 Q HN 0.502 nan 8.270 nan 0.000 0.437 483 P HA 0.002 nan 4.420 nan 0.000 0.271 483 P C 0.397 177.871 177.300 0.291 0.000 1.216 483 P CA 0.486 63.827 63.100 0.403 0.000 0.776 483 P CB 0.752 32.572 31.700 0.200 0.000 0.881 484 G N 2.000 111.011 108.800 0.353 0.000 2.162 484 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 484 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 484 G C 0.778 175.955 174.900 0.462 0.000 0.976 484 G CA 0.521 45.844 45.100 0.371 0.000 0.655 484 G HN 0.611 nan 8.290 nan 0.000 0.533 485 E N -0.598 119.811 120.200 0.349 0.000 2.290 485 E HA 0.072 4.421 4.350 -0.000 0.000 0.199 485 E C 0.350 177.043 176.600 0.155 0.000 0.912 485 E CA -0.045 56.515 56.400 0.267 0.000 0.924 485 E CB 0.212 30.006 29.700 0.155 0.000 0.901 485 E HN 0.506 nan 8.360 nan 0.000 0.487 486 E N 0.902 121.133 120.200 0.052 0.000 2.277 486 E HA 0.170 4.520 4.350 -0.000 0.000 0.274 486 E C -0.325 176.166 176.600 -0.182 0.000 1.022 486 E CA -0.284 56.033 56.400 -0.139 0.000 0.853 486 E CB 0.957 30.594 29.700 -0.104 0.000 1.086 486 E HN 0.214 nan 8.360 nan 0.000 0.397 487 W N 1.576 122.691 121.300 -0.307 0.000 3.074 487 W HA 0.595 5.255 4.660 -0.000 0.000 0.332 487 W C -1.866 174.280 176.519 -0.622 0.000 1.253 487 W CA -0.941 56.020 57.345 -0.640 0.000 1.180 487 W CB 0.658 29.321 29.460 -1.327 0.000 1.445 487 W HN 0.303 nan 8.180 nan 0.000 0.573 488 L N 2.187 123.302 121.223 -0.180 0.000 2.408 488 L HA 0.494 4.834 4.340 -0.000 0.000 0.268 488 L C -0.791 176.063 176.870 -0.027 0.000 0.986 488 L CA -0.627 53.977 54.840 -0.393 0.000 0.820 488 L CB 2.228 43.840 42.059 -0.745 0.000 1.303 488 L HN 0.593 nan 8.230 nan 0.000 0.411 489 Q N 3.442 123.276 119.800 0.057 0.000 2.323 489 Q HA 0.715 5.055 4.340 -0.000 0.000 0.271 489 Q C -2.037 174.042 176.000 0.130 0.000 1.048 489 Q CA -0.718 55.160 55.803 0.125 0.000 0.792 489 Q CB 2.385 31.215 28.738 0.153 0.000 1.280 489 Q HN 0.562 nan 8.270 nan 0.000 0.441 490 V N 2.884 122.880 119.914 0.136 0.000 2.483 490 V HA 0.286 4.406 4.120 -0.000 0.000 0.295 490 V C -0.659 175.488 176.094 0.089 0.000 1.035 490 V CA -0.644 61.715 62.300 0.097 0.000 0.896 490 V CB 1.743 33.605 31.823 0.065 0.000 0.986 490 V HN 0.783 nan 8.190 nan 0.000 0.447 491 D N 3.406 123.809 120.400 0.005 0.000 2.443 491 D HA 0.338 4.978 4.640 -0.000 0.000 0.221 491 D C 0.896 177.071 176.300 -0.207 0.000 1.097 491 D CA -0.242 53.623 54.000 -0.225 0.000 0.865 491 D CB 1.207 41.906 40.800 -0.169 0.000 1.034 491 D HN 0.418 nan 8.370 nan 0.000 0.511 492 L N 2.914 124.000 121.223 -0.229 0.000 2.265 492 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 492 L C 1.871 178.649 176.870 -0.155 0.000 1.117 492 L CA 0.827 55.586 54.840 -0.136 0.000 0.782 492 L CB -0.360 41.645 42.059 -0.090 0.000 0.914 492 L HN 0.727 nan 8.230 nan 0.000 0.441 493 G N -0.093 108.562 108.800 -0.242 0.000 2.159 493 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.256 493 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.256 493 G C 0.223 175.029 174.900 -0.157 0.000 0.977 493 G CA 0.264 45.255 45.100 -0.182 0.000 0.652 493 G HN 0.353 nan 8.290 nan 0.000 0.531 494 T N 0.642 115.090 114.554 -0.176 0.000 2.977 494 T HA 0.484 4.834 4.350 -0.000 0.000 0.345 494 T C -3.162 171.428 174.700 -0.183 0.000 1.562 494 T CA -0.427 61.572 62.100 -0.168 0.000 1.090 494 T CB 3.095 71.876 68.868 -0.144 0.000 1.383 494 T HN 0.040 nan 8.240 nan 0.000 0.484 495 P HA 0.184 nan 4.420 nan 0.000 0.260 495 P C -0.783 176.349 177.300 -0.280 0.000 1.185 495 P CA 0.087 63.007 63.100 -0.300 0.000 0.763 495 P CB 0.395 31.714 31.700 -0.634 0.000 0.776 496 K N 1.804 122.218 120.400 0.025 0.000 2.444 496 K HA 0.431 4.751 4.320 -0.000 0.000 0.252 496 K C -0.240 176.621 176.600 0.436 0.000 0.993 496 K CA -0.676 55.726 56.287 0.192 0.000 0.847 496 K CB 1.705 34.267 32.500 0.103 0.000 1.340 496 K HN 0.209 nan 8.250 nan 0.000 0.446 497 T N 1.132 115.918 114.554 0.388 0.000 2.749 497 T HA 0.270 4.620 4.350 -0.000 0.000 0.295 497 T C -0.011 174.775 174.700 0.142 0.000 0.936 497 T CA -0.517 61.708 62.100 0.208 0.000 1.060 497 T CB 0.622 69.542 68.868 0.087 0.000 0.904 497 T HN 0.137 nan 8.240 nan 0.000 0.500 498 V N 4.453 124.451 119.914 0.140 0.000 2.384 498 V HA 0.364 4.484 4.120 -0.000 0.000 0.287 498 V C 0.955 177.151 176.094 0.171 0.000 1.020 498 V CA -0.526 61.869 62.300 0.159 0.000 0.850 498 V CB 1.629 33.587 31.823 0.225 0.000 0.987 498 V HN 0.866 nan 8.190 nan 0.000 0.436 499 K N 2.566 122.951 120.400 -0.024 0.000 2.367 499 K HA 0.480 4.800 4.320 -0.000 0.000 0.195 499 K C 0.645 176.769 176.600 -0.793 0.000 1.060 499 K CA 0.615 56.773 56.287 -0.214 0.000 1.022 499 K CB 0.972 33.401 32.500 -0.120 0.000 0.894 499 K HN 0.914 nan 8.250 nan 0.000 0.540 500 G N 0.005 108.314 108.800 -0.819 0.000 2.428 500 G HA2 0.393 4.353 3.960 -0.000 0.000 0.304 500 G HA3 0.393 4.353 3.960 -0.000 0.000 0.304 500 G C -1.651 173.051 174.900 -0.329 0.000 1.303 500 G CA -0.368 44.084 45.100 -1.079 0.000 0.825 500 G HN 0.032 nan 8.290 nan 0.000 0.484 501 V N -2.553 117.282 119.914 -0.132 0.000 3.130 501 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 501 V C -0.810 175.292 176.094 0.013 0.000 1.158 501 V CA -1.254 61.054 62.300 0.014 0.000 1.029 501 V CB 1.892 33.770 31.823 0.093 0.000 1.057 501 V HN 0.819 nan 8.190 nan 0.000 0.436 502 I N 2.651 123.228 120.570 0.012 0.000 2.382 502 I HA 0.531 4.700 4.170 -0.000 0.000 0.286 502 I C -0.549 175.570 176.117 0.004 0.000 1.002 502 I CA -0.327 60.986 61.300 0.022 0.000 1.135 502 I CB 1.744 39.755 38.000 0.020 0.000 1.288 502 I HN 0.597 nan 8.210 nan 0.000 0.448 503 I N 6.120 126.696 120.570 0.011 0.000 2.437 503 I HA 0.388 4.558 4.170 -0.000 0.000 0.298 503 I C -0.516 175.618 176.117 0.029 0.000 0.984 503 I CA -0.146 61.138 61.300 -0.026 0.000 1.214 503 I CB 1.651 39.579 38.000 -0.120 0.000 1.365 503 I HN 0.669 nan 8.210 nan 0.000 0.469 504 Q N 4.016 123.834 119.800 0.031 0.000 2.484 504 Q HA 0.552 4.892 4.340 -0.000 0.000 0.285 504 Q C -0.404 175.645 176.000 0.081 0.000 1.097 504 Q CA -0.698 55.133 55.803 0.047 0.000 0.802 504 Q CB 2.266 31.024 28.738 0.033 0.000 1.444 504 Q HN 0.802 nan 8.270 nan 0.000 0.429 505 G N 0.327 109.193 108.800 0.109 0.000 2.666 505 G HA2 0.676 4.636 3.960 -0.000 0.000 0.207 505 G HA3 0.676 4.636 3.960 -0.000 0.000 0.207 505 G C -1.076 173.899 174.900 0.124 0.000 1.481 505 G CA 0.065 45.275 45.100 0.184 0.000 1.071 505 G HN 0.720 nan 8.290 nan 0.000 0.572 506 A N -1.537 121.384 122.820 0.168 0.000 2.574 506 A HA 0.719 5.039 4.320 -0.000 0.000 0.297 506 A C -0.318 177.398 177.584 0.220 0.000 1.062 506 A CA -0.537 51.562 52.037 0.103 0.000 0.686 506 A CB 1.639 20.520 19.000 -0.199 0.000 1.285 506 A HN 0.801 nan 8.150 nan 0.000 0.403 518 R N 1.082 121.529 120.500 -0.088 0.000 2.202 518 R HA 0.719 5.059 4.340 -0.000 0.000 0.334 518 R C 0.102 176.422 176.300 0.033 0.000 1.036 518 R CA 0.500 56.508 56.100 -0.153 0.000 0.878 518 R CB 1.523 31.543 30.300 -0.467 0.000 1.067 518 R HN 0.994 nan 8.270 nan 0.000 0.457 519 A N 3.109 126.022 122.820 0.155 0.000 2.609 519 A HA 0.801 5.121 4.320 -0.000 0.000 0.291 519 A C -1.484 176.248 177.584 0.247 0.000 1.096 519 A CA -0.855 51.251 52.037 0.114 0.000 0.684 519 A CB 1.334 20.375 19.000 0.068 0.000 1.282 519 A HN 0.640 nan 8.150 nan 0.000 0.412 520 F N -1.408 118.603 119.950 0.102 0.000 2.688 520 F HA 0.630 5.157 4.527 -0.000 0.000 0.308 520 F C -0.893 175.014 175.800 0.179 0.000 1.117 520 F CA -1.233 56.834 58.000 0.110 0.000 0.976 520 F CB 0.653 39.734 39.000 0.135 0.000 1.291 520 F HN 0.390 nan 8.300 nan 0.000 0.439 521 V N 3.211 123.338 119.914 0.355 0.000 2.655 521 V HA 0.214 4.333 4.120 -0.000 0.000 0.300 521 V C 0.976 177.357 176.094 0.479 0.000 1.044 521 V CA 0.063 62.594 62.300 0.385 0.000 1.095 521 V CB 1.016 33.038 31.823 0.332 0.000 0.952 521 V HN 0.930 nan 8.190 nan 0.000 0.485 522 R N 2.289 123.033 120.500 0.407 0.000 2.167 522 R HA 0.246 4.586 4.340 -0.000 0.000 0.201 522 R C 0.110 176.612 176.300 0.337 0.000 1.024 522 R CA 0.447 56.761 56.100 0.357 0.000 1.053 522 R CB 0.427 30.854 30.300 0.210 0.000 0.987 522 R HN 0.591 nan 8.270 nan 0.000 0.493 523 K N 0.325 120.934 120.400 0.348 0.000 2.477 523 K HA 0.359 4.679 4.320 -0.000 0.000 0.255 523 K C -1.100 175.797 176.600 0.494 0.000 0.952 523 K CA -0.665 55.813 56.287 0.318 0.000 0.826 523 K CB 2.609 35.198 32.500 0.148 0.000 1.331 523 K HN -0.105 nan 8.250 nan 0.000 0.437 524 F N -1.545 118.582 119.950 0.295 0.000 2.686 524 F HA 0.589 5.116 4.527 -0.000 0.000 0.311 524 F C -1.114 174.906 175.800 0.366 0.000 1.128 524 F CA -1.227 56.966 58.000 0.323 0.000 0.946 524 F CB 1.294 40.482 39.000 0.313 0.000 1.336 524 F HN 0.191 nan 8.300 nan 0.000 0.457 525 K N 1.065 121.760 120.400 0.492 0.000 2.258 525 K HA 0.866 5.186 4.320 -0.000 0.000 0.236 525 K C -1.616 175.336 176.600 0.587 0.000 1.008 525 K CA -1.312 55.206 56.287 0.384 0.000 0.869 525 K CB 2.678 35.213 32.500 0.059 0.000 1.171 525 K HN 0.513 nan 8.250 nan 0.000 0.447 526 V N 1.079 121.299 119.914 0.509 0.000 2.686 526 V HA 0.344 4.464 4.120 -0.000 0.000 0.306 526 V C -0.794 175.588 176.094 0.480 0.000 1.065 526 V CA -0.853 61.720 62.300 0.455 0.000 0.894 526 V CB 1.746 33.697 31.823 0.213 0.000 1.004 526 V HN 0.970 nan 8.190 nan 0.000 0.424 527 S N 3.292 119.235 115.700 0.404 0.000 2.638 527 S HA 0.963 5.433 4.470 -0.000 0.000 0.302 527 S C -1.092 173.783 174.600 0.459 0.000 1.096 527 S CA -0.847 57.499 58.200 0.244 0.000 0.953 527 S CB 2.099 65.122 63.200 -0.296 0.000 1.107 527 S HN 0.938 nan 8.310 nan 0.000 0.503 528 Y N -2.016 118.462 120.300 0.298 0.000 2.588 528 Y HA 0.880 5.430 4.550 -0.000 0.000 0.343 528 Y C -0.514 175.419 175.900 0.056 0.000 1.065 528 Y CA -0.985 57.273 58.100 0.263 0.000 1.038 528 Y CB 1.424 39.963 38.460 0.132 0.000 1.297 528 Y HN 0.799 nan 8.280 nan 0.000 0.467 529 S N 0.858 116.548 115.700 -0.017 0.000 2.537 529 S HA 0.466 4.935 4.470 -0.000 0.000 0.271 529 S C -0.510 174.055 174.600 -0.058 0.000 1.148 529 S CA -0.761 57.211 58.200 -0.380 0.000 0.868 529 S CB 1.389 63.829 63.200 -1.267 0.000 1.115 529 S HN 0.874 nan 8.310 nan 0.000 0.461 530 L N 2.815 123.993 121.223 -0.075 0.000 2.202 530 L HA 0.145 4.485 4.340 -0.000 0.000 0.205 530 L C 1.748 178.626 176.870 0.014 0.000 1.083 530 L CA 0.636 55.492 54.840 0.027 0.000 0.790 530 L CB -0.266 41.802 42.059 0.014 0.000 0.942 530 L HN 0.562 nan 8.230 nan 0.000 0.452 531 N N -0.510 118.062 118.700 -0.213 0.000 2.240 531 N HA 0.068 4.808 4.740 -0.000 0.000 0.187 531 N C 1.486 176.662 175.510 -0.556 0.000 1.042 531 N CA 1.571 54.459 53.050 -0.270 0.000 0.861 531 N CB -0.078 38.242 38.487 -0.278 0.000 1.026 531 N HN 0.279 nan 8.380 nan 0.000 0.441 532 G N -0.520 107.782 108.800 -0.830 0.000 3.211 532 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.202 532 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.202 532 G C 0.919 175.514 174.900 -0.509 0.000 1.035 532 G CA -0.055 44.515 45.100 -0.883 0.000 0.846 532 G HN 0.214 nan 8.290 nan 0.000 0.464 533 K N 0.330 120.459 120.400 -0.452 0.000 2.370 533 K HA 0.200 4.520 4.320 -0.000 0.000 0.194 533 K C -0.624 175.759 176.600 -0.362 0.000 1.070 533 K CA 0.333 56.493 56.287 -0.212 0.000 0.998 533 K CB 0.591 33.027 32.500 -0.107 0.000 0.911 533 K HN 0.338 nan 8.250 nan 0.000 0.533 534 D N 0.035 120.058 120.400 -0.628 0.000 2.225 534 D HA 0.209 4.849 4.640 -0.000 0.000 0.248 534 D C -1.087 174.705 176.300 -0.847 0.000 1.096 534 D CA -0.042 53.650 54.000 -0.514 0.000 0.863 534 D CB 0.604 41.196 40.800 -0.347 0.000 1.156 534 D HN -0.021 nan 8.370 nan 0.000 0.450 535 W N 1.072 122.200 121.300 -0.287 0.000 2.830 535 W HA 0.314 4.974 4.660 -0.000 0.000 0.335 535 W C -0.104 176.106 176.519 -0.515 0.000 1.043 535 W CA -0.855 56.236 57.345 -0.424 0.000 1.239 535 W CB 1.480 30.661 29.460 -0.465 0.000 1.378 535 W HN 0.129 nan 8.180 nan 0.000 0.456 536 E N 1.838 121.760 120.200 -0.464 0.000 2.191 536 E HA 0.354 4.704 4.350 -0.000 0.000 0.274 536 E C -1.189 175.098 176.600 -0.521 0.000 0.948 536 E CA -1.080 55.016 56.400 -0.507 0.000 0.802 536 E CB 1.965 31.314 29.700 -0.585 0.000 1.137 536 E HN 0.394 nan 8.360 nan 0.000 0.397 537 Y N 1.337 121.575 120.300 -0.104 0.000 2.320 537 Y HA 0.270 4.820 4.550 -0.000 0.000 0.324 537 Y C 0.711 176.699 175.900 0.147 0.000 1.190 537 Y CA -0.787 57.323 58.100 0.017 0.000 1.215 537 Y CB 0.920 39.366 38.460 -0.024 0.000 1.221 537 Y HN 0.317 nan 8.280 nan 0.000 0.486 538 I N 4.007 124.829 120.570 0.419 0.000 2.598 538 I HA -0.038 4.132 4.170 -0.000 0.000 0.284 538 I C -0.213 176.010 176.117 0.176 0.000 1.140 538 I CA 0.025 61.497 61.300 0.285 0.000 1.420 538 I CB 0.237 38.349 38.000 0.187 0.000 1.387 538 I HN 0.425 nan 8.210 nan 0.000 0.553 539 Q N 5.088 124.964 119.800 0.127 0.000 2.241 539 Q HA 0.214 4.554 4.340 -0.000 0.000 0.254 539 Q C -0.617 175.390 176.000 0.012 0.000 0.917 539 Q CA -0.614 55.227 55.803 0.063 0.000 0.919 539 Q CB 1.947 30.726 28.738 0.069 0.000 1.237 539 Q HN 0.439 nan 8.270 nan 0.000 0.434 540 D N 3.218 123.599 120.400 -0.032 0.000 2.317 540 D HA 0.133 4.773 4.640 -0.000 0.000 0.252 540 D C -1.773 174.515 176.300 -0.020 0.000 1.174 540 D CA -1.837 52.133 54.000 -0.051 0.000 0.866 540 D CB 1.273 42.020 40.800 -0.087 0.000 1.127 540 D HN 0.130 nan 8.370 nan 0.000 0.467 541 P HA 0.030 nan 4.420 nan 0.000 0.239 541 P C 0.771 178.067 177.300 -0.007 0.000 1.184 541 P CA 0.654 63.754 63.100 0.000 0.000 0.760 541 P CB 0.388 32.093 31.700 0.008 0.000 0.884 542 R N -0.881 119.609 120.500 -0.017 0.000 2.074 542 R HA 0.022 4.362 4.340 -0.000 0.000 0.218 542 R C 2.303 178.590 176.300 -0.020 0.000 1.137 542 R CA 1.897 57.986 56.100 -0.019 0.000 0.998 542 R CB -1.316 28.969 30.300 -0.026 0.000 0.895 542 R HN 0.221 nan 8.270 nan 0.000 0.442 543 T N -1.678 112.859 114.554 -0.029 0.000 3.014 543 T HA -0.022 4.328 4.350 -0.000 0.000 0.263 543 T C 0.937 175.624 174.700 -0.020 0.000 1.078 543 T CA 0.361 62.444 62.100 -0.028 0.000 1.135 543 T CB 0.066 68.909 68.868 -0.042 0.000 0.895 543 T HN 0.255 nan 8.240 nan 0.000 0.480 544 Q N 0.026 119.817 119.800 -0.016 0.000 2.406 544 Q HA -0.165 4.175 4.340 -0.000 0.000 0.236 544 Q C -0.403 175.593 176.000 -0.006 0.000 0.799 544 Q CA 0.764 56.564 55.803 -0.005 0.000 1.286 544 Q CB -1.118 27.620 28.738 0.000 0.000 1.615 544 Q HN 0.628 nan 8.270 nan 0.000 0.621 545 Q N -0.054 119.733 119.800 -0.021 0.000 2.195 545 Q HA 0.436 4.776 4.340 -0.000 0.000 0.250 545 Q C -2.329 173.647 176.000 -0.041 0.000 0.988 545 Q CA -2.057 53.727 55.803 -0.032 0.000 0.911 545 Q CB 0.757 29.466 28.738 -0.048 0.000 1.258 545 Q HN -0.084 nan 8.270 nan 0.000 0.475 546 P HA -0.063 nan 4.420 nan 0.000 0.262 546 P C -0.512 176.726 177.300 -0.102 0.000 1.182 546 P CA 0.436 63.491 63.100 -0.076 0.000 0.761 546 P CB 0.358 31.899 31.700 -0.264 0.000 0.795 547 K N 3.863 124.203 120.400 -0.100 0.000 2.368 547 K HA 0.117 4.437 4.320 -0.000 0.000 0.282 547 K C -0.393 176.028 176.600 -0.298 0.000 1.035 547 K CA -0.353 55.788 56.287 -0.243 0.000 0.973 547 K CB 0.175 32.438 32.500 -0.394 0.000 0.957 547 K HN 0.399 nan 8.250 nan 0.000 0.474 548 L N 6.569 127.621 121.223 -0.286 0.000 2.295 548 L HA 0.231 4.571 4.340 -0.000 0.000 0.288 548 L C -0.364 176.296 176.870 -0.351 0.000 1.079 548 L CA 0.014 54.722 54.840 -0.220 0.000 0.830 548 L CB -0.282 41.704 42.059 -0.122 0.000 1.200 548 L HN 0.604 nan 8.230 nan 0.000 0.438 549 F N 2.368 122.088 119.950 -0.384 0.000 2.406 549 F HA 0.189 4.716 4.527 -0.000 0.000 0.327 549 F C 1.327 176.915 175.800 -0.354 0.000 1.153 549 F CA -0.392 57.306 58.000 -0.504 0.000 1.218 549 F CB 0.628 38.951 39.000 -1.128 0.000 1.215 549 F HN 0.369 nan 8.300 nan 0.000 0.570 550 E N 0.895 121.138 120.200 0.072 0.000 2.313 550 E HA 0.236 4.586 4.350 -0.000 0.000 0.276 550 E C 0.479 177.306 176.600 0.378 0.000 1.031 550 E CA -0.050 56.458 56.400 0.179 0.000 0.857 550 E CB 1.225 31.026 29.700 0.169 0.000 1.040 550 E HN 0.798 nan 8.360 nan 0.000 0.408 551 G N 3.161 112.223 108.800 0.437 0.000 3.311 551 G HA2 0.097 4.057 3.960 -0.000 0.000 0.169 551 G HA3 0.097 4.057 3.960 -0.000 0.000 0.169 551 G C 0.005 175.120 174.900 0.359 0.000 1.852 551 G CA -0.225 45.197 45.100 0.535 0.000 1.010 551 G HN 0.481 nan 8.290 nan 0.000 0.530 552 N N -0.966 117.934 118.700 0.334 0.000 2.457 552 N HA 0.469 5.209 4.740 -0.000 0.000 0.290 552 N C 0.178 175.746 175.510 0.096 0.000 1.232 552 N CA -0.700 52.444 53.050 0.156 0.000 0.852 552 N CB 2.175 40.677 38.487 0.025 0.000 1.313 552 N HN 0.086 nan 8.380 nan 0.000 0.522 553 M N 0.534 120.071 119.600 -0.105 0.000 2.405 553 M HA 0.172 4.652 4.480 -0.000 0.000 0.292 553 M C -0.680 175.360 176.300 -0.433 0.000 1.111 553 M CA 0.257 55.488 55.300 -0.116 0.000 0.979 553 M CB -0.354 32.267 32.600 0.035 0.000 1.426 553 M HN 0.582 nan 8.290 nan 0.000 0.509 554 H N -0.838 117.592 119.070 -1.066 0.000 3.043 554 H HA 0.073 4.629 4.556 -0.000 0.000 0.317 554 H C -0.763 174.172 175.328 -0.655 0.000 1.321 554 H CA -0.318 55.274 56.048 -0.759 0.000 1.243 554 H CB 1.124 30.689 29.762 -0.327 0.000 1.924 554 H HN 0.237 nan 8.280 nan 0.000 0.527 555 Y N 1.753 121.665 120.300 -0.646 0.000 2.516 555 Y HA 0.107 4.657 4.550 -0.000 0.000 0.291 555 Y C 1.058 176.946 175.900 -0.020 0.000 1.131 555 Y CA 1.403 59.399 58.100 -0.172 0.000 1.281 555 Y CB 0.110 38.537 38.460 -0.055 0.000 1.013 555 Y HN 0.481 nan 8.280 nan 0.000 0.554 556 D N -0.002 120.174 120.400 -0.373 0.000 2.716 556 D HA 0.052 4.692 4.640 -0.000 0.000 0.273 556 D C 0.103 176.346 176.300 -0.095 0.000 1.024 556 D CA 0.588 54.442 54.000 -0.243 0.000 0.944 556 D CB 0.158 40.704 40.800 -0.422 0.000 1.186 556 D HN 0.110 nan 8.370 nan 0.000 0.485 557 T N 4.606 119.128 114.554 -0.053 0.000 2.775 557 T HA 0.197 4.547 4.350 -0.000 0.000 0.281 557 T C -2.365 172.317 174.700 -0.030 0.000 0.908 557 T CA -0.906 61.144 62.100 -0.084 0.000 1.123 557 T CB 1.141 69.918 68.868 -0.153 0.000 0.879 557 T HN 0.197 nan 8.240 nan 0.000 0.547 558 P HA 0.393 nan 4.420 nan 0.000 0.274 558 P C -0.890 176.434 177.300 0.039 0.000 1.256 558 P CA -0.491 62.619 63.100 0.017 0.000 0.795 558 P CB 0.862 32.572 31.700 0.017 0.000 1.038 559 D N -0.447 119.994 120.400 0.067 0.000 2.879 559 D HA 0.469 5.109 4.640 -0.000 0.000 0.236 559 D C -0.822 175.544 176.300 0.109 0.000 1.171 559 D CA -0.411 53.647 54.000 0.097 0.000 0.868 559 D CB 1.805 42.684 40.800 0.132 0.000 1.598 559 D HN 0.241 nan 8.370 nan 0.000 0.497 560 I N 1.778 122.409 120.570 0.102 0.000 2.339 560 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 560 I C -1.049 175.136 176.117 0.113 0.000 0.994 560 I CA -0.642 60.708 61.300 0.083 0.000 1.191 560 I CB 0.250 38.280 38.000 0.050 0.000 1.343 560 I HN 0.146 nan 8.210 nan 0.000 0.458 561 R N 7.673 128.248 120.500 0.125 0.000 2.387 561 R HA 0.535 4.875 4.340 -0.000 0.000 0.314 561 R C -0.836 175.467 176.300 0.005 0.000 0.958 561 R CA -0.671 55.532 56.100 0.172 0.000 0.846 561 R CB 1.665 32.158 30.300 0.322 0.000 1.147 561 R HN 0.685 nan 8.270 nan 0.000 0.447 562 R N 2.432 122.946 120.500 0.024 0.000 2.598 562 R HA 0.601 4.941 4.340 -0.000 0.000 0.279 562 R C -0.401 175.909 176.300 0.016 0.000 0.984 562 R CA -0.538 55.463 56.100 -0.166 0.000 0.999 562 R CB 1.168 31.428 30.300 -0.067 0.000 1.114 562 R HN 0.448 nan 8.270 nan 0.000 0.493 563 F N -2.086 117.956 119.950 0.153 0.000 2.662 563 F HA 0.378 4.905 4.527 -0.000 0.000 0.312 563 F C -0.753 175.098 175.800 0.086 0.000 1.113 563 F CA -1.837 56.267 58.000 0.172 0.000 0.951 563 F CB 0.290 39.453 39.000 0.272 0.000 1.344 563 F HN 0.215 nan 8.300 nan 0.000 0.462 564 D N 2.008 122.617 120.400 0.349 0.000 2.478 564 D HA 0.188 4.827 4.640 -0.000 0.000 0.234 564 D C -2.411 174.010 176.300 0.202 0.000 1.154 564 D CA -0.585 53.532 54.000 0.194 0.000 0.874 564 D CB 0.171 41.050 40.800 0.132 0.000 1.198 564 D HN 0.256 nan 8.370 nan 0.000 0.455 565 P HA 0.196 nan 4.420 nan 0.000 0.271 565 P C -0.410 176.902 177.300 0.020 0.000 1.216 565 P CA -0.045 63.095 63.100 0.066 0.000 0.771 565 P CB 0.401 32.105 31.700 0.008 0.000 0.864 566 I N -0.401 120.168 120.570 -0.002 0.000 2.894 566 I HA 0.693 4.863 4.170 -0.000 0.000 0.302 566 I C -2.962 173.155 176.117 -0.000 0.000 1.188 566 I CA -3.416 57.825 61.300 -0.098 0.000 1.014 566 I CB 2.784 40.508 38.000 -0.459 0.000 1.242 566 I HN 0.036 nan 8.210 nan 0.000 0.430 567 P HA 0.635 nan 4.420 nan 0.000 0.290 567 P C -1.118 176.365 177.300 0.304 0.000 1.276 567 P CA -0.281 62.996 63.100 0.296 0.000 0.808 567 P CB 1.619 33.556 31.700 0.396 0.000 0.966 568 A N 2.245 125.240 122.820 0.292 0.000 2.583 568 A HA 0.341 4.661 4.320 -0.000 0.000 0.298 568 A C 0.174 177.845 177.584 0.145 0.000 1.055 568 A CA -0.368 51.816 52.037 0.244 0.000 0.714 568 A CB 1.063 20.235 19.000 0.287 0.000 1.277 568 A HN 0.487 nan 8.150 nan 0.000 0.406 569 Q N 0.062 119.920 119.800 0.096 0.000 2.402 569 Q HA 0.268 4.608 4.340 -0.000 0.000 0.231 569 Q C -0.950 174.924 176.000 -0.209 0.000 0.888 569 Q CA 0.673 56.425 55.803 -0.085 0.000 0.938 569 Q CB 0.328 28.968 28.738 -0.164 0.000 1.086 569 Q HN 0.735 nan 8.270 nan 0.000 0.543 570 Y N -0.016 120.312 120.300 0.047 0.000 2.364 570 Y HA 0.552 5.102 4.550 -0.000 0.000 0.340 570 Y C -0.658 175.379 175.900 0.229 0.000 0.975 570 Y CA -0.980 57.187 58.100 0.111 0.000 1.089 570 Y CB 2.039 40.539 38.460 0.067 0.000 1.192 570 Y HN -0.246 nan 8.280 nan 0.000 0.454 571 V N 4.149 124.285 119.914 0.371 0.000 2.735 571 V HA 0.619 4.739 4.120 -0.000 0.000 0.310 571 V C -0.476 175.794 176.094 0.293 0.000 1.061 571 V CA -1.168 61.349 62.300 0.363 0.000 0.913 571 V CB 2.296 34.277 31.823 0.264 0.000 1.005 571 V HN 0.717 nan 8.190 nan 0.000 0.428 572 R N 1.742 122.405 120.500 0.272 0.000 2.750 572 R HA 0.836 5.176 4.340 -0.000 0.000 0.281 572 R C -1.808 174.658 176.300 0.276 0.000 0.972 572 R CA -0.667 55.523 56.100 0.150 0.000 0.912 572 R CB 2.563 32.814 30.300 -0.082 0.000 1.187 572 R HN 0.498 nan 8.270 nan 0.000 0.464 573 V N 3.393 123.440 119.914 0.221 0.000 2.483 573 V HA 0.353 4.473 4.120 -0.000 0.000 0.297 573 V C -1.399 174.892 176.094 0.329 0.000 1.027 573 V CA -0.739 61.740 62.300 0.298 0.000 0.855 573 V CB 1.572 33.423 31.823 0.048 0.000 0.995 573 V HN 0.634 nan 8.190 nan 0.000 0.424 574 Y N 5.725 126.234 120.300 0.347 0.000 2.587 574 Y HA 0.442 4.992 4.550 -0.000 0.000 0.328 574 Y C -2.258 173.879 175.900 0.394 0.000 0.980 574 Y CA -3.070 55.241 58.100 0.351 0.000 1.272 574 Y CB 1.457 40.105 38.460 0.312 0.000 1.094 574 Y HN 0.474 nan 8.280 nan 0.000 0.503 575 P HA -0.030 nan 4.420 nan 0.000 0.262 575 P C 0.338 178.007 177.300 0.616 0.000 1.182 575 P CA 0.520 63.935 63.100 0.525 0.000 0.761 575 P CB 1.203 33.124 31.700 0.369 0.000 0.795 576 E N 1.987 122.508 120.200 0.536 0.000 2.279 576 E HA 0.136 4.486 4.350 -0.000 0.000 0.199 576 E C 0.456 177.056 176.600 -0.001 0.000 0.893 576 E CA 0.656 57.242 56.400 0.311 0.000 0.978 576 E CB 0.343 30.152 29.700 0.183 0.000 0.964 576 E HN 0.269 nan 8.360 nan 0.000 0.486 577 R N -0.504 119.991 120.500 -0.007 0.000 2.919 577 R HA 0.475 4.815 4.340 -0.000 0.000 0.260 577 R C -1.185 175.120 176.300 0.008 0.000 1.067 577 R CA -0.543 55.338 56.100 -0.365 0.000 1.003 577 R CB 1.241 31.411 30.300 -0.217 0.000 1.192 577 R HN 0.015 nan 8.270 nan 0.000 0.488 578 W N -1.776 119.531 121.300 0.013 0.000 2.799 578 W HA 0.520 5.180 4.660 -0.000 0.000 0.416 578 W C -1.049 175.364 176.519 -0.176 0.000 1.108 578 W CA -0.953 56.358 57.345 -0.056 0.000 1.169 578 W CB -0.250 29.181 29.460 -0.048 0.000 1.471 578 W HN 0.565 nan 8.180 nan 0.000 0.586 579 S N 0.369 116.051 115.700 -0.030 0.000 2.632 579 S HA 0.473 4.943 4.470 -0.000 0.000 0.271 579 S C -1.681 172.914 174.600 -0.007 0.000 1.260 579 S CA -0.616 57.418 58.200 -0.278 0.000 1.010 579 S CB 1.497 64.192 63.200 -0.841 0.000 0.965 579 S HN 0.377 nan 8.310 nan 0.000 0.534 580 P HA -0.280 nan 4.420 nan 0.000 0.221 580 P C 1.609 178.929 177.300 0.034 0.000 1.160 580 P CA 2.577 65.684 63.100 0.012 0.000 0.933 580 P CB -0.439 31.252 31.700 -0.014 0.000 0.793 581 A N -1.473 121.344 122.820 -0.005 0.000 2.019 581 A HA 0.252 4.572 4.320 -0.000 0.000 0.219 581 A C 1.362 178.944 177.584 -0.002 0.000 1.164 581 A CA 1.980 54.012 52.037 -0.007 0.000 0.644 581 A CB -1.009 17.986 19.000 -0.008 0.000 0.805 581 A HN 0.473 nan 8.150 nan 0.000 0.449 582 G N -2.040 106.762 108.800 0.004 0.000 2.403 582 G HA2 0.261 4.221 3.960 -0.000 0.000 0.223 582 G HA3 0.261 4.221 3.960 -0.000 0.000 0.223 582 G C -1.059 173.687 174.900 -0.257 0.000 1.287 582 G CA -0.397 44.638 45.100 -0.108 0.000 0.982 582 G HN 0.288 nan 8.290 nan 0.000 0.471 583 I N 2.570 122.878 120.570 -0.437 0.000 2.347 583 I HA 0.488 4.658 4.170 -0.000 0.000 0.283 583 I C 0.850 176.688 176.117 -0.465 0.000 1.058 583 I CA -0.278 60.721 61.300 -0.502 0.000 1.202 583 I CB 0.855 38.391 38.000 -0.774 0.000 1.386 583 I HN 0.638 nan 8.210 nan 0.000 0.475 584 G N 6.379 114.975 108.800 -0.339 0.000 2.367 584 G HA2 0.731 4.691 3.960 -0.000 0.000 0.314 584 G HA3 0.731 4.691 3.960 -0.000 0.000 0.314 584 G C -0.916 173.843 174.900 -0.235 0.000 1.130 584 G CA -0.487 44.276 45.100 -0.561 0.000 0.864 584 G HN 0.512 nan 8.290 nan 0.000 0.486 585 M N 1.549 121.022 119.600 -0.211 0.000 2.307 585 M HA 0.401 4.881 4.480 -0.000 0.000 0.279 585 M C -1.079 175.267 176.300 0.077 0.000 1.080 585 M CA -0.541 54.779 55.300 0.034 0.000 0.964 585 M CB 2.064 34.783 32.600 0.199 0.000 1.825 585 M HN 0.589 nan 8.290 nan 0.000 0.489 586 R N 2.393 122.930 120.500 0.062 0.000 2.832 586 R HA 0.932 5.272 4.340 -0.000 0.000 0.271 586 R C -1.715 174.608 176.300 0.037 0.000 0.996 586 R CA -0.954 55.184 56.100 0.064 0.000 0.977 586 R CB 2.488 32.819 30.300 0.053 0.000 1.168 586 R HN 0.603 nan 8.270 nan 0.000 0.482 587 L N 0.596 121.836 121.223 0.027 0.000 2.518 587 L HA 0.498 4.838 4.340 -0.000 0.000 0.257 587 L C -1.752 175.124 176.870 0.010 0.000 0.980 587 L CA -0.423 54.419 54.840 0.003 0.000 0.837 587 L CB 2.356 44.405 42.059 -0.017 0.000 1.410 587 L HN 0.715 nan 8.230 nan 0.000 0.410 588 E N 1.456 121.661 120.200 0.008 0.000 2.390 588 E HA 0.760 5.110 4.350 -0.000 0.000 0.277 588 E C -2.054 174.558 176.600 0.021 0.000 0.939 588 E CA -0.544 55.865 56.400 0.016 0.000 0.769 588 E CB 2.326 32.036 29.700 0.017 0.000 1.251 588 E HN 0.386 nan 8.360 nan 0.000 0.450 589 V N 3.427 123.358 119.914 0.028 0.000 2.628 589 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 589 V C -0.388 175.719 176.094 0.022 0.000 1.045 589 V CA -0.814 61.512 62.300 0.043 0.000 0.905 589 V CB 1.435 33.301 31.823 0.073 0.000 0.997 589 V HN 0.628 nan 8.190 nan 0.000 0.436 590 L N 3.490 124.713 121.223 0.000 0.000 2.341 590 L HA 0.969 5.309 4.340 -0.000 0.000 0.278 590 L C 0.589 177.446 176.870 -0.021 0.000 1.005 590 L CA 0.007 54.830 54.840 -0.028 0.000 0.818 590 L CB 1.728 43.745 42.059 -0.071 0.000 1.259 590 L HN 0.935 nan 8.230 nan 0.000 0.418 591 G N 1.115 109.913 108.800 -0.003 0.000 2.435 591 G HA2 0.512 4.472 3.960 -0.000 0.000 0.228 591 G HA3 0.512 4.472 3.960 -0.000 0.000 0.228 591 G C -1.380 173.536 174.900 0.027 0.000 1.198 591 G CA 0.169 45.281 45.100 0.018 0.000 0.948 591 G HN 0.893 nan 8.290 nan 0.000 0.487 592 c N -1.889 116.746 118.600 0.059 0.000 3.272 592 c HA 0.780 5.350 4.570 -0.000 0.000 0.363 592 c C -1.089 173.072 174.090 0.117 0.000 1.514 592 c CA -1.063 55.305 56.329 0.064 0.000 1.185 592 c CB 1.114 43.653 42.510 0.048 0.000 1.716 592 c HN 0.776 nan 8.230 nan 0.000 0.440 593 D N -0.150 120.318 120.400 0.113 0.000 2.329 593 D HA 0.261 4.901 4.640 -0.000 0.000 0.246 593 D C -0.182 176.288 176.300 0.283 0.000 1.111 593 D CA 0.342 54.440 54.000 0.162 0.000 0.941 593 D CB 0.656 41.510 40.800 0.090 0.000 1.169 593 D HN 0.564 nan 8.370 nan 0.000 0.441 594 W N 0.000 121.304 121.300 0.007 0.000 2.388 594 W HA 0.000 4.660 4.660 0.000 0.000 0.303 594 W CA 0.000 57.351 57.345 0.010 0.000 1.226 594 W CB 0.000 29.466 29.460 0.010 0.000 1.126 594 W HN 0.000 nan 8.180 nan 0.000 0.535