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 1i0a_1_B DATA FIRST_RESID 20 DATA SEQUENCE IMEILSSSIS TEQRLTEVDI QASMAYAKAL EKASILTKTE LEKILSGLEK DATA SEQUENCE ISEESSKGVL VMTQSDEDIQ TAIERRLKEL IGDIAGKLQT GRSRNEQVVT DATA SEQUENCE DLKLLLKSSI SVISTHLLQL IKTLVERAAI EIDIIMPGYT HLQKALPIRW DATA SEQUENCE SQFLLSHAVA LTRDSERLGE VKKRITVLPL GSGVLAGNPL EIDRELLRSE DATA SEQUENCE LDMTSITLNS IDAISERDFV VELISVATLL MIHLSKLAED LIIFSTTEFG DATA SEQUENCE FVTLSDAYST GSSLLPQKKN PDSLELIRSK AGRVFGRLAA ILMVLKGIPS DATA SEQUENCE TFSKDLQEDK EAVLDVVDTL TAVLQVATGV ISTLQINKEN MEKALTPELL DATA SEQUENCE STDLALYLVR KGMPIRQAQT ASGKAVHLAE TKGITINNLT LEDLKSISPL DATA SEQUENCE FASDVSQVFS VVNSVEQYTA VGGTAKSSVT AQIEQLRELL KKQK 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 20 I HA 0.000 nan 4.170 nan 0.000 0.288 20 I C 0.000 176.116 176.117 -0.002 0.000 1.063 20 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 20 I CB 0.000 37.998 38.000 -0.003 0.000 1.214 21 M N 0.890 120.489 119.600 -0.002 0.000 2.331 21 M HA -0.230 4.205 4.480 -0.075 0.000 0.260 21 M C 1.849 178.149 176.300 0.000 0.000 1.072 21 M CA 1.905 57.204 55.300 -0.001 0.000 1.065 21 M CB -0.553 32.047 32.600 0.001 0.000 1.392 21 M HN 0.360 nan 8.290 nan 0.000 0.427 22 E N 0.118 120.319 120.200 0.001 0.000 2.307 22 E HA 0.056 4.361 4.350 -0.075 0.000 0.195 22 E C 1.623 178.223 176.600 0.001 0.000 0.975 22 E CA 0.145 56.546 56.400 0.002 0.000 0.878 22 E CB -0.003 29.700 29.700 0.003 0.000 0.845 22 E HN 0.499 nan 8.360 nan 0.000 0.488 23 I N 0.558 121.127 120.570 -0.001 0.000 3.241 23 I HA -0.069 4.056 4.170 -0.075 0.000 0.280 23 I C 0.545 176.659 176.117 -0.004 0.000 1.320 23 I CA 0.684 61.983 61.300 -0.002 0.000 1.413 23 I CB 0.197 38.196 38.000 -0.002 0.000 1.060 23 I HN 0.160 nan 8.210 nan 0.000 0.500 24 L N -0.134 121.087 121.223 -0.004 0.000 2.640 24 L HA 0.221 4.516 4.340 -0.075 0.000 0.230 24 L C 0.627 177.493 176.870 -0.007 0.000 1.123 24 L CA -0.185 54.651 54.840 -0.007 0.000 0.900 24 L CB 0.101 42.154 42.059 -0.009 0.000 1.146 24 L HN 0.064 nan 8.230 nan 0.000 0.484 25 S N -0.285 115.414 115.700 -0.002 0.000 2.651 25 S HA 0.325 4.750 4.470 -0.075 0.000 0.291 25 S C 0.323 174.924 174.600 0.002 0.000 1.141 25 S CA -0.712 57.489 58.200 0.002 0.000 1.027 25 S CB 1.664 64.868 63.200 0.008 0.000 1.043 25 S HN 0.303 nan 8.310 nan 0.000 0.530 26 S N 2.006 117.709 115.700 0.005 0.000 2.558 26 S HA 0.120 4.546 4.470 -0.075 0.000 0.287 26 S C 0.430 175.033 174.600 0.006 0.000 1.321 26 S CA -0.690 57.513 58.200 0.005 0.000 1.048 26 S CB -0.179 63.027 63.200 0.010 0.000 0.844 26 S HN 0.774 nan 8.310 nan 0.000 0.512 27 S N 3.284 118.987 115.700 0.005 0.000 2.603 27 S HA 0.332 4.758 4.470 -0.075 0.000 0.268 27 S C 1.483 176.087 174.600 0.007 0.000 1.317 27 S CA -1.021 57.182 58.200 0.005 0.000 1.012 27 S CB 0.204 63.406 63.200 0.004 0.000 0.926 27 S HN 0.595 nan 8.310 nan 0.000 0.539 28 I N 2.274 122.848 120.570 0.006 0.000 2.087 28 I HA -0.240 3.886 4.170 -0.075 0.000 0.240 28 I C 2.951 179.073 176.117 0.008 0.000 1.054 28 I CA 2.307 63.611 61.300 0.007 0.000 1.311 28 I CB -2.340 35.663 38.000 0.006 0.000 1.024 28 I HN 0.964 nan 8.210 nan 0.000 0.402 29 S N -0.430 115.274 115.700 0.008 0.000 2.420 29 S HA -0.200 4.225 4.470 -0.075 0.000 0.237 29 S C 1.894 176.500 174.600 0.010 0.000 1.023 29 S CA 1.944 60.149 58.200 0.009 0.000 0.991 29 S CB -1.046 62.159 63.200 0.008 0.000 0.792 29 S HN 0.489 nan 8.310 nan 0.000 0.488 30 T N 1.842 116.402 114.554 0.010 0.000 2.851 30 T HA 0.047 4.352 4.350 -0.075 0.000 0.262 30 T C 1.810 176.519 174.700 0.015 0.000 1.043 30 T CA 1.122 63.229 62.100 0.013 0.000 1.140 30 T CB -0.241 68.634 68.868 0.011 0.000 0.872 30 T HN 0.389 nan 8.240 nan 0.000 0.446 31 E N 1.289 121.497 120.200 0.014 0.000 2.150 31 E HA -0.075 4.230 4.350 -0.075 0.000 0.193 31 E C 2.424 179.032 176.600 0.012 0.000 0.985 31 E CA 0.709 57.117 56.400 0.014 0.000 0.814 31 E CB -0.178 29.530 29.700 0.013 0.000 0.752 31 E HN 0.407 nan 8.360 nan 0.000 0.466 32 Q N 0.397 120.204 119.800 0.011 0.000 2.170 32 Q HA -0.087 4.208 4.340 -0.075 0.000 0.203 32 Q C 1.994 178.001 176.000 0.011 0.000 0.976 32 Q CA 0.716 56.525 55.803 0.010 0.000 0.858 32 Q CB -0.167 28.576 28.738 0.009 0.000 0.907 32 Q HN 0.170 nan 8.270 nan 0.000 0.433 33 R N 0.296 120.804 120.500 0.014 0.000 2.200 33 R HA -0.058 4.237 4.340 -0.075 0.000 0.234 33 R C 1.901 178.210 176.300 0.015 0.000 1.127 33 R CA 0.686 56.795 56.100 0.015 0.000 0.989 33 R CB -0.287 30.024 30.300 0.019 0.000 0.869 33 R HN 0.316 nan 8.270 nan 0.000 0.459 34 L N 0.479 121.710 121.223 0.015 0.000 2.607 34 L HA 0.031 4.327 4.340 -0.075 0.000 0.228 34 L C 2.192 179.066 176.870 0.008 0.000 1.123 34 L CA 0.369 55.217 54.840 0.013 0.000 0.890 34 L CB -0.355 41.714 42.059 0.016 0.000 1.103 34 L HN 0.185 nan 8.230 nan 0.000 0.468 35 T N -2.677 111.881 114.554 0.007 0.000 2.635 35 T HA -0.231 4.074 4.350 -0.075 0.000 0.267 35 T C 1.701 176.403 174.700 0.004 0.000 1.040 35 T CA 1.195 63.298 62.100 0.005 0.000 1.156 35 T CB -0.137 68.735 68.868 0.006 0.000 0.863 35 T HN 0.171 nan 8.240 nan 0.000 0.430 36 E N 1.055 121.258 120.200 0.005 0.000 2.038 36 E HA -0.101 4.205 4.350 -0.075 0.000 0.195 36 E C 2.694 179.296 176.600 0.002 0.000 1.000 36 E CA 1.664 58.066 56.400 0.004 0.000 0.803 36 E CB -0.686 29.017 29.700 0.005 0.000 0.750 36 E HN 0.679 nan 8.360 nan 0.000 0.448 37 V N -0.556 119.359 119.914 0.001 0.000 2.490 37 V HA -0.203 3.872 4.120 -0.075 0.000 0.250 37 V C 1.983 178.074 176.094 -0.005 0.000 1.061 37 V CA 2.332 64.631 62.300 -0.003 0.000 1.064 37 V CB -0.622 31.199 31.823 -0.004 0.000 0.670 37 V HN 0.012 nan 8.190 nan 0.000 0.461 38 D N 0.137 120.535 120.400 -0.004 0.000 2.144 38 D HA -0.113 4.482 4.640 -0.075 0.000 0.200 38 D C 2.013 178.311 176.300 -0.004 0.000 0.978 38 D CA 1.286 55.281 54.000 -0.009 0.000 0.833 38 D CB -0.073 40.721 40.800 -0.009 0.000 0.961 38 D HN 0.365 nan 8.370 nan 0.000 0.470 39 I N 0.783 121.353 120.570 0.001 0.000 2.127 39 I HA -0.248 3.878 4.170 -0.075 0.000 0.241 39 I C 2.283 178.406 176.117 0.010 0.000 1.075 39 I CA 1.391 62.694 61.300 0.006 0.000 1.334 39 I CB -1.266 36.738 38.000 0.006 0.000 1.040 39 I HN 0.263 nan 8.210 nan 0.000 0.405 40 Q N 0.440 120.244 119.800 0.007 0.000 2.084 40 Q HA -0.153 4.142 4.340 -0.075 0.000 0.202 40 Q C 2.388 178.397 176.000 0.016 0.000 0.978 40 Q CA 1.879 57.687 55.803 0.009 0.000 0.844 40 Q CB -0.270 28.470 28.738 0.003 0.000 0.898 40 Q HN 0.561 nan 8.270 nan 0.000 0.426 41 A N 0.373 123.199 122.820 0.010 0.000 1.933 41 A HA -0.160 4.115 4.320 -0.075 0.000 0.218 41 A C 2.241 179.854 177.584 0.048 0.000 1.175 41 A CA 1.606 53.653 52.037 0.016 0.000 0.628 41 A CB -0.401 18.592 19.000 -0.011 0.000 0.814 41 A HN 0.234 nan 8.150 nan 0.000 0.444 42 S N -0.382 115.340 115.700 0.038 0.000 2.368 42 S HA -0.115 4.310 4.470 -0.075 0.000 0.224 42 S C 2.015 176.669 174.600 0.091 0.000 1.029 42 S CA 1.643 59.884 58.200 0.069 0.000 0.988 42 S CB -0.385 62.837 63.200 0.037 0.000 0.838 42 S HN 0.589 nan 8.310 nan 0.000 0.462 43 M N 1.237 120.869 119.600 0.054 0.000 2.086 43 M HA -0.109 4.326 4.480 -0.075 0.000 0.261 43 M C 2.535 178.861 176.300 0.044 0.000 1.067 43 M CA 1.554 56.878 55.300 0.040 0.000 1.116 43 M CB -0.640 31.973 32.600 0.022 0.000 1.348 43 M HN 0.388 nan 8.290 nan 0.000 0.407 44 A N -0.605 122.247 122.820 0.054 0.000 1.933 44 A HA -0.211 4.064 4.320 -0.075 0.000 0.218 44 A C 2.015 179.643 177.584 0.074 0.000 1.175 44 A CA 1.428 53.495 52.037 0.050 0.000 0.628 44 A CB -1.006 18.024 19.000 0.051 0.000 0.814 44 A HN 0.548 nan 8.150 nan 0.000 0.444 45 Y N 0.454 120.745 120.300 -0.015 0.000 2.200 45 Y HA -0.011 4.494 4.550 -0.075 0.000 0.290 45 Y C 2.685 178.577 175.900 -0.013 0.000 1.137 45 Y CA 0.816 58.907 58.100 -0.015 0.000 1.163 45 Y CB -0.539 37.911 38.460 -0.017 0.000 0.988 45 Y HN 0.321 nan 8.280 nan 0.000 0.518 46 A N 0.439 123.276 122.820 0.029 0.000 1.865 46 A HA -0.251 4.024 4.320 -0.075 0.000 0.217 46 A C 2.242 179.772 177.584 -0.090 0.000 1.191 46 A CA 2.211 54.226 52.037 -0.036 0.000 0.623 46 A CB -0.631 18.378 19.000 0.015 0.000 0.826 46 A HN 0.492 nan 8.150 nan 0.000 0.444 47 K N -0.419 119.945 120.400 -0.060 0.000 2.103 47 K HA -0.113 4.162 4.320 -0.075 0.000 0.207 47 K C 2.238 178.779 176.600 -0.099 0.000 1.048 47 K CA 1.208 57.458 56.287 -0.062 0.000 0.930 47 K CB -0.338 32.141 32.500 -0.036 0.000 0.716 47 K HN 0.470 nan 8.250 nan 0.000 0.444 48 A N 1.254 123.986 122.820 -0.147 0.000 1.969 48 A HA -0.081 4.194 4.320 -0.075 0.000 0.218 48 A C 2.092 179.537 177.584 -0.232 0.000 1.169 48 A CA 1.004 52.932 52.037 -0.181 0.000 0.635 48 A CB -0.456 18.416 19.000 -0.213 0.000 0.810 48 A HN 0.133 nan 8.150 nan 0.000 0.445 49 L N -0.698 120.337 121.223 -0.313 0.000 1.994 49 L HA -0.182 4.113 4.340 -0.075 0.000 0.208 49 L C 2.793 179.578 176.870 -0.141 0.000 1.071 49 L CA 1.702 56.383 54.840 -0.265 0.000 0.745 49 L CB -0.499 41.404 42.059 -0.260 0.000 0.892 49 L HN 0.484 nan 8.230 nan 0.000 0.431 50 E N 1.094 121.229 120.200 -0.109 0.000 2.058 50 E HA -0.310 3.995 4.350 -0.075 0.000 0.194 50 E C 2.117 178.679 176.600 -0.063 0.000 0.997 50 E CA 1.721 58.079 56.400 -0.069 0.000 0.801 50 E CB -0.029 29.639 29.700 -0.053 0.000 0.746 50 E HN 0.347 nan 8.360 nan 0.000 0.450 51 K N -0.127 120.230 120.400 -0.071 0.000 2.147 51 K HA -0.075 4.200 4.320 -0.075 0.000 0.205 51 K C 1.708 178.274 176.600 -0.057 0.000 1.049 51 K CA 1.171 57.423 56.287 -0.057 0.000 0.936 51 K CB -0.142 32.323 32.500 -0.058 0.000 0.722 51 K HN 0.103 nan 8.250 nan 0.000 0.446 52 A N 0.028 122.803 122.820 -0.074 0.000 2.238 52 A HA 0.103 4.378 4.320 -0.075 0.000 0.208 52 A C 0.467 178.021 177.584 -0.051 0.000 1.177 52 A CA 0.650 52.649 52.037 -0.064 0.000 0.804 52 A CB -0.043 18.907 19.000 -0.084 0.000 0.823 52 A HN 0.305 nan 8.150 nan 0.000 0.482 53 S N -1.435 114.236 115.700 -0.048 0.000 3.695 53 S HA -0.133 4.292 4.470 -0.075 0.000 0.310 53 S C 0.725 175.304 174.600 -0.035 0.000 1.166 53 S CA 0.790 58.968 58.200 -0.036 0.000 0.882 53 S CB -1.656 61.528 63.200 -0.028 0.000 0.949 53 S HN 0.531 nan 8.310 nan 0.000 0.540 54 I N -0.467 120.076 120.570 -0.046 0.000 3.265 54 I HA 0.284 4.410 4.170 -0.075 0.000 0.282 54 I C 0.932 177.030 176.117 -0.031 0.000 1.207 54 I CA 1.122 62.400 61.300 -0.038 0.000 1.449 54 I CB -0.272 37.699 38.000 -0.049 0.000 1.121 54 I HN 0.336 nan 8.210 nan 0.000 0.442 55 L N 0.527 121.727 121.223 -0.039 0.000 2.342 55 L HA 0.358 4.653 4.340 -0.075 0.000 0.271 55 L C 0.436 177.290 176.870 -0.027 0.000 1.008 55 L CA -0.586 54.236 54.840 -0.030 0.000 0.818 55 L CB 2.018 44.056 42.059 -0.035 0.000 1.296 55 L HN 0.065 nan 8.230 nan 0.000 0.427 56 T N -2.660 111.883 114.554 -0.019 0.000 2.874 56 T HA 0.204 4.510 4.350 -0.075 0.000 0.281 56 T C 0.921 175.610 174.700 -0.017 0.000 0.994 56 T CA -0.770 61.320 62.100 -0.017 0.000 1.015 56 T CB 1.431 70.291 68.868 -0.012 0.000 1.028 56 T HN 0.410 nan 8.240 nan 0.000 0.523 57 K N 0.559 120.949 120.400 -0.016 0.000 2.281 57 K HA -0.084 4.191 4.320 -0.075 0.000 0.203 57 K C 2.080 178.673 176.600 -0.012 0.000 1.046 57 K CA 1.283 57.561 56.287 -0.015 0.000 0.938 57 K CB -0.933 31.559 32.500 -0.013 0.000 0.737 57 K HN 0.769 nan 8.250 nan 0.000 0.458 58 T N 0.507 115.055 114.554 -0.010 0.000 2.852 58 T HA -0.031 4.274 4.350 -0.075 0.000 0.256 58 T C 1.542 176.238 174.700 -0.007 0.000 1.038 58 T CA 0.880 62.975 62.100 -0.008 0.000 1.141 58 T CB 0.016 68.880 68.868 -0.006 0.000 0.869 58 T HN 0.352 nan 8.240 nan 0.000 0.439 59 E N 0.989 121.184 120.200 -0.008 0.000 2.118 59 E HA -0.136 4.170 4.350 -0.075 0.000 0.195 59 E C 2.113 178.709 176.600 -0.006 0.000 0.992 59 E CA 0.803 57.200 56.400 -0.006 0.000 0.804 59 E CB -0.290 29.406 29.700 -0.007 0.000 0.741 59 E HN 0.187 nan 8.360 nan 0.000 0.458 60 L N 1.748 122.964 121.223 -0.011 0.000 2.012 60 L HA -0.227 4.068 4.340 -0.075 0.000 0.210 60 L C 1.922 178.789 176.870 -0.006 0.000 1.073 60 L CA 1.902 56.735 54.840 -0.011 0.000 0.748 60 L CB -0.296 41.753 42.059 -0.018 0.000 0.891 60 L HN 0.039 nan 8.230 nan 0.000 0.431 61 E N -0.809 119.388 120.200 -0.006 0.000 2.085 61 E HA -0.226 4.079 4.350 -0.075 0.000 0.194 61 E C 2.112 178.712 176.600 -0.001 0.000 0.994 61 E CA 1.160 57.558 56.400 -0.004 0.000 0.801 61 E CB -0.057 29.640 29.700 -0.004 0.000 0.743 61 E HN 0.370 nan 8.360 nan 0.000 0.453 62 K N 0.609 121.008 120.400 -0.001 0.000 2.009 62 K HA -0.145 4.130 4.320 -0.075 0.000 0.210 62 K C 2.199 178.801 176.600 0.003 0.000 1.049 62 K CA 1.081 57.368 56.287 0.001 0.000 0.929 62 K CB -0.465 32.036 32.500 0.001 0.000 0.714 62 K HN 0.207 nan 8.250 nan 0.000 0.440 63 I N 0.856 121.429 120.570 0.004 0.000 2.179 63 I HA -0.297 3.828 4.170 -0.075 0.000 0.242 63 I C 2.224 178.346 176.117 0.009 0.000 1.088 63 I CA 0.832 62.137 61.300 0.009 0.000 1.357 63 I CB -0.297 37.711 38.000 0.012 0.000 1.051 63 I HN -0.008 nan 8.210 nan 0.000 0.409 64 L N 0.258 121.484 121.223 0.006 0.000 2.012 64 L HA -0.216 4.080 4.340 -0.075 0.000 0.210 64 L C 2.694 179.567 176.870 0.005 0.000 1.073 64 L CA 1.810 56.654 54.840 0.006 0.000 0.748 64 L CB -0.950 41.110 42.059 0.003 0.000 0.891 64 L HN 0.139 nan 8.230 nan 0.000 0.431 65 S N -0.578 115.124 115.700 0.003 0.000 2.382 65 S HA -0.139 4.286 4.470 -0.075 0.000 0.228 65 S C 2.007 176.610 174.600 0.004 0.000 1.027 65 S CA 1.148 59.350 58.200 0.003 0.000 0.991 65 S CB -0.828 62.373 63.200 0.002 0.000 0.823 65 S HN 0.604 nan 8.310 nan 0.000 0.469 66 G N 1.204 110.007 108.800 0.005 0.000 2.443 66 G HA2 -0.047 3.868 3.960 -0.075 0.000 0.219 66 G HA3 -0.047 3.868 3.960 -0.075 0.000 0.219 66 G C 1.301 176.205 174.900 0.006 0.000 1.131 66 G CA 0.318 45.421 45.100 0.005 0.000 0.775 66 G HN 0.423 nan 8.290 nan 0.000 0.547 67 L N -0.141 121.087 121.223 0.008 0.000 2.131 67 L HA 0.054 4.349 4.340 -0.075 0.000 0.206 67 L C 2.702 179.577 176.870 0.007 0.000 1.087 67 L CA 1.122 55.967 54.840 0.009 0.000 0.767 67 L CB -0.230 41.837 42.059 0.012 0.000 0.917 67 L HN 0.314 nan 8.230 nan 0.000 0.441 68 E N 0.287 120.490 120.200 0.006 0.000 2.106 68 E HA -0.227 4.078 4.350 -0.075 0.000 0.192 68 E C 2.150 178.752 176.600 0.004 0.000 0.984 68 E CA 0.729 57.132 56.400 0.005 0.000 0.806 68 E CB 0.235 29.938 29.700 0.004 0.000 0.750 68 E HN 0.130 nan 8.360 nan 0.000 0.458 69 K N 0.932 121.335 120.400 0.004 0.000 2.063 69 K HA -0.122 4.153 4.320 -0.075 0.000 0.208 69 K C 2.045 178.648 176.600 0.004 0.000 1.048 69 K CA 1.093 57.382 56.287 0.004 0.000 0.928 69 K CB -0.325 32.177 32.500 0.004 0.000 0.713 69 K HN 0.294 nan 8.250 nan 0.000 0.442 70 I N 0.139 120.712 120.570 0.005 0.000 2.439 70 I HA -0.199 3.927 4.170 -0.075 0.000 0.251 70 I C 2.484 178.603 176.117 0.005 0.000 1.139 70 I CA 0.680 61.983 61.300 0.004 0.000 1.438 70 I CB -0.242 37.761 38.000 0.005 0.000 1.085 70 I HN 0.095 nan 8.210 nan 0.000 0.427 71 S N 0.671 116.374 115.700 0.005 0.000 2.355 71 S HA -0.155 4.270 4.470 -0.075 0.000 0.222 71 S C 1.913 176.516 174.600 0.004 0.000 1.031 71 S CA 1.253 59.456 58.200 0.005 0.000 0.993 71 S CB -0.093 63.110 63.200 0.005 0.000 0.859 71 S HN 0.354 nan 8.310 nan 0.000 0.453 72 E N 0.736 120.938 120.200 0.004 0.000 2.347 72 E HA -0.061 4.245 4.350 -0.075 0.000 0.196 72 E C 1.859 178.461 176.600 0.004 0.000 1.008 72 E CA 0.452 56.854 56.400 0.004 0.000 0.852 72 E CB -0.179 29.523 29.700 0.004 0.000 0.783 72 E HN 0.696 nan 8.360 nan 0.000 0.505 73 E N 0.593 120.795 120.200 0.004 0.000 2.076 73 E HA -0.037 4.268 4.350 -0.075 0.000 0.190 73 E C 1.533 178.136 176.600 0.005 0.000 0.979 73 E CA 0.558 56.960 56.400 0.004 0.000 0.807 73 E CB 0.252 29.954 29.700 0.004 0.000 0.761 73 E HN -0.024 nan 8.360 nan 0.000 0.454 74 S N -0.079 115.624 115.700 0.005 0.000 2.561 74 S HA -0.045 4.380 4.470 -0.075 0.000 0.225 74 S C 1.681 176.284 174.600 0.006 0.000 0.977 74 S CA 0.432 58.636 58.200 0.005 0.000 0.926 74 S CB 0.083 63.286 63.200 0.005 0.000 0.769 74 S HN 0.155 nan 8.310 nan 0.000 0.533 75 S N 1.784 117.487 115.700 0.005 0.000 2.368 75 S HA -0.027 4.398 4.470 -0.075 0.000 0.224 75 S C 1.511 176.115 174.600 0.006 0.000 1.029 75 S CA 0.905 59.108 58.200 0.006 0.000 0.988 75 S CB -0.014 63.189 63.200 0.005 0.000 0.838 75 S HN 0.272 nan 8.310 nan 0.000 0.462 76 K N 0.584 120.987 120.400 0.005 0.000 2.387 76 K HA 0.293 4.568 4.320 -0.075 0.000 0.198 76 K C 1.100 177.703 176.600 0.005 0.000 1.022 76 K CA 0.613 56.903 56.287 0.005 0.000 1.128 76 K CB -0.421 32.082 32.500 0.005 0.000 0.853 76 K HN 0.464 nan 8.250 nan 0.000 0.523 77 G N 1.578 110.381 108.800 0.006 0.000 2.221 77 G HA2 -0.250 3.666 3.960 -0.075 0.000 0.265 77 G HA3 -0.250 3.666 3.960 -0.075 0.000 0.265 77 G C 0.739 175.641 174.900 0.005 0.000 1.041 77 G CA 0.421 45.525 45.100 0.006 0.000 0.807 77 G HN 0.176 nan 8.290 nan 0.000 0.502 78 V N -0.250 119.667 119.914 0.005 0.000 3.129 78 V HA 0.178 4.253 4.120 -0.075 0.000 0.259 78 V C 1.795 177.892 176.094 0.004 0.000 1.116 78 V CA 1.135 63.437 62.300 0.004 0.000 1.127 78 V CB -0.030 31.795 31.823 0.004 0.000 0.742 78 V HN 0.572 nan 8.190 nan 0.000 0.474 79 L N 1.566 122.792 121.223 0.004 0.000 2.361 79 L HA 0.312 4.607 4.340 -0.075 0.000 0.278 79 L C -0.372 176.501 176.870 0.004 0.000 1.113 79 L CA 0.286 55.128 54.840 0.004 0.000 0.849 79 L CB 1.309 43.370 42.059 0.004 0.000 1.155 79 L HN 0.069 nan 8.230 nan 0.000 0.452 80 V N 7.564 127.480 119.914 0.004 0.000 2.347 80 V HA 0.093 4.168 4.120 -0.075 0.000 0.280 80 V C 1.119 177.215 176.094 0.004 0.000 1.021 80 V CA -0.501 61.801 62.300 0.004 0.000 0.847 80 V CB 1.620 33.445 31.823 0.003 0.000 0.990 80 V HN 0.907 nan 8.190 nan 0.000 0.444 81 M N 3.541 123.144 119.600 0.004 0.000 2.358 81 M HA -0.087 4.348 4.480 -0.075 0.000 0.264 81 M C 1.611 177.914 176.300 0.004 0.000 1.064 81 M CA 1.904 57.206 55.300 0.004 0.000 1.093 81 M CB -1.029 31.574 32.600 0.005 0.000 1.401 81 M HN 1.042 nan 8.290 nan 0.000 0.440 82 T N -1.107 113.449 114.554 0.004 0.000 9.639 82 T HA -0.373 3.932 4.350 -0.075 0.000 0.362 82 T C 0.868 175.570 174.700 0.003 0.000 1.812 82 T CA 1.885 63.986 62.100 0.003 0.000 2.782 82 T CB -1.107 67.763 68.868 0.003 0.000 2.606 82 T HN 0.652 nan 8.240 nan 0.000 1.105 83 Q N -0.356 119.446 119.800 0.004 0.000 2.204 83 Q HA -0.364 3.931 4.340 -0.075 0.000 0.158 83 Q C 1.471 177.473 176.000 0.004 0.000 0.604 83 Q CA 2.376 58.181 55.803 0.004 0.000 1.414 83 Q CB -1.965 26.775 28.738 0.004 0.000 1.448 83 Q HN 1.006 nan 8.270 nan 0.000 0.905 84 S N -0.329 115.373 115.700 0.003 0.000 2.406 84 S HA -0.033 4.392 4.470 -0.075 0.000 0.228 84 S C 0.440 175.042 174.600 0.004 0.000 1.020 84 S CA 0.920 59.122 58.200 0.003 0.000 0.965 84 S CB 0.079 63.280 63.200 0.003 0.000 0.798 84 S HN 0.410 nan 8.310 nan 0.000 0.488 85 D N 2.505 122.907 120.400 0.004 0.000 2.304 85 D HA 0.107 4.702 4.640 -0.075 0.000 0.250 85 D C 1.228 177.531 176.300 0.006 0.000 1.107 85 D CA -0.009 53.993 54.000 0.004 0.000 0.885 85 D CB 1.112 41.914 40.800 0.003 0.000 1.192 85 D HN 0.662 nan 8.370 nan 0.000 0.436 86 E N 1.151 121.355 120.200 0.007 0.000 2.208 86 E HA -0.138 4.168 4.350 -0.075 0.000 0.193 86 E C -0.230 176.378 176.600 0.013 0.000 0.988 86 E CA 0.676 57.083 56.400 0.011 0.000 0.828 86 E CB -0.002 29.707 29.700 0.014 0.000 0.763 86 E HN 0.529 nan 8.360 nan 0.000 0.478 87 D N -1.107 119.299 120.400 0.010 0.000 2.665 87 D HA 0.085 4.680 4.640 -0.075 0.000 0.287 87 D C 0.306 176.610 176.300 0.006 0.000 1.266 87 D CA -0.817 53.189 54.000 0.011 0.000 0.830 87 D CB 0.233 41.043 40.800 0.016 0.000 1.356 87 D HN -0.074 nan 8.370 nan 0.000 0.437 88 I N -0.041 120.533 120.570 0.007 0.000 2.493 88 I HA -0.177 3.948 4.170 -0.075 0.000 0.254 88 I C 1.762 177.877 176.117 -0.003 0.000 1.160 88 I CA 1.767 63.069 61.300 0.003 0.000 1.445 88 I CB -0.412 37.591 38.000 0.006 0.000 1.086 88 I HN 0.372 nan 8.210 nan 0.000 0.433 89 Q N -0.362 119.433 119.800 -0.008 0.000 2.050 89 Q HA -0.146 4.149 4.340 -0.075 0.000 0.202 89 Q C 2.266 178.255 176.000 -0.017 0.000 0.980 89 Q CA 2.528 58.319 55.803 -0.019 0.000 0.840 89 Q CB -0.916 27.803 28.738 -0.033 0.000 0.898 89 Q HN 0.411 nan 8.270 nan 0.000 0.424 90 T N 0.674 115.221 114.554 -0.013 0.000 2.684 90 T HA -0.185 4.121 4.350 -0.075 0.000 0.267 90 T C 1.844 176.541 174.700 -0.006 0.000 1.036 90 T CA 1.374 63.468 62.100 -0.010 0.000 1.148 90 T CB -0.545 68.320 68.868 -0.006 0.000 0.863 90 T HN 0.426 nan 8.240 nan 0.000 0.436 91 A N 1.076 123.894 122.820 -0.003 0.000 1.908 91 A HA -0.061 4.215 4.320 -0.075 0.000 0.218 91 A C 2.278 179.862 177.584 -0.001 0.000 1.181 91 A CA 1.358 53.395 52.037 -0.001 0.000 0.627 91 A CB -0.795 18.205 19.000 0.001 0.000 0.818 91 A HN 0.552 nan 8.150 nan 0.000 0.445 92 I N -0.674 119.894 120.570 -0.003 0.000 2.439 92 I HA -0.200 3.925 4.170 -0.075 0.000 0.251 92 I C 2.380 178.497 176.117 -0.001 0.000 1.139 92 I CA 1.218 62.517 61.300 -0.002 0.000 1.438 92 I CB -0.357 37.641 38.000 -0.003 0.000 1.085 92 I HN 0.458 nan 8.210 nan 0.000 0.427 93 E N 0.498 120.695 120.200 -0.004 0.000 2.072 93 E HA -0.195 4.110 4.350 -0.075 0.000 0.190 93 E C 2.247 178.847 176.600 -0.001 0.000 0.982 93 E CA 0.549 56.947 56.400 -0.003 0.000 0.803 93 E CB -0.103 29.592 29.700 -0.009 0.000 0.755 93 E HN 0.352 nan 8.360 nan 0.000 0.453 94 R N 1.302 121.801 120.500 -0.001 0.000 2.075 94 R HA -0.129 4.166 4.340 -0.075 0.000 0.232 94 R C 2.268 178.569 176.300 0.001 0.000 1.126 94 R CA 1.286 57.386 56.100 0.000 0.000 0.963 94 R CB -0.023 30.277 30.300 -0.000 0.000 0.858 94 R HN -0.089 nan 8.270 nan 0.000 0.435 95 R N 0.907 121.408 120.500 0.002 0.000 2.235 95 R HA 0.035 4.330 4.340 -0.075 0.000 0.213 95 R C 2.009 178.311 176.300 0.003 0.000 1.059 95 R CA 0.827 56.929 56.100 0.002 0.000 0.997 95 R CB -0.574 29.727 30.300 0.003 0.000 0.884 95 R HN 0.345 nan 8.270 nan 0.000 0.462 96 L N -0.134 121.092 121.223 0.004 0.000 2.095 96 L HA -0.039 4.256 4.340 -0.075 0.000 0.204 96 L C 2.159 179.033 176.870 0.005 0.000 1.080 96 L CA 1.355 56.199 54.840 0.006 0.000 0.759 96 L CB -0.315 41.748 42.059 0.008 0.000 0.914 96 L HN 0.256 nan 8.230 nan 0.000 0.439 97 K N 0.374 120.776 120.400 0.005 0.000 2.057 97 K HA -0.229 4.046 4.320 -0.075 0.000 0.207 97 K C 1.650 178.252 176.600 0.003 0.000 1.049 97 K CA 1.527 57.816 56.287 0.004 0.000 0.931 97 K CB -0.041 32.461 32.500 0.003 0.000 0.714 97 K HN 0.313 nan 8.250 nan 0.000 0.440 98 E N 0.015 120.217 120.200 0.003 0.000 2.448 98 E HA -0.176 4.130 4.350 -0.075 0.000 0.203 98 E C 0.639 177.240 176.600 0.003 0.000 1.046 98 E CA 0.985 57.386 56.400 0.003 0.000 0.871 98 E CB 0.028 29.729 29.700 0.002 0.000 0.790 98 E HN 0.337 nan 8.360 nan 0.000 0.545 99 L N -4.292 116.933 121.223 0.003 0.000 3.520 99 L HA 0.271 4.566 4.340 -0.075 0.000 0.323 99 L C 0.767 177.639 176.870 0.003 0.000 1.246 99 L CA 0.081 54.923 54.840 0.003 0.000 1.085 99 L CB 0.596 42.657 42.059 0.003 0.000 1.477 99 L HN -0.088 nan 8.230 nan 0.000 0.624 100 I N 0.086 120.658 120.570 0.004 0.000 4.864 100 I HA 0.596 4.721 4.170 -0.075 0.000 0.337 100 I C 1.188 177.307 176.117 0.003 0.000 1.283 100 I CA 0.834 62.136 61.300 0.004 0.000 1.350 100 I CB 0.472 38.475 38.000 0.005 0.000 1.412 100 I HN 0.409 nan 8.210 nan 0.000 0.487 101 G N 1.940 110.742 108.800 0.003 0.000 2.660 101 G HA2 -0.234 3.681 3.960 -0.075 0.000 0.215 101 G HA3 -0.234 3.681 3.960 -0.075 0.000 0.215 101 G C 0.196 175.099 174.900 0.004 0.000 1.345 101 G CA 0.057 45.159 45.100 0.003 0.000 0.877 101 G HN 0.102 nan 8.290 nan 0.000 0.549 102 D N -0.202 120.200 120.400 0.003 0.000 2.315 102 D HA -0.090 4.505 4.640 -0.075 0.000 0.211 102 D C 2.523 178.826 176.300 0.005 0.000 0.977 102 D CA 0.831 54.834 54.000 0.004 0.000 0.894 102 D CB -0.022 40.780 40.800 0.003 0.000 0.910 102 D HN 0.366 nan 8.370 nan 0.000 0.490 103 I N 0.853 121.426 120.570 0.005 0.000 2.361 103 I HA -0.220 3.905 4.170 -0.075 0.000 0.251 103 I C 2.348 178.471 176.117 0.010 0.000 1.133 103 I CA 0.562 61.866 61.300 0.006 0.000 1.413 103 I CB -1.082 36.921 38.000 0.004 0.000 1.073 103 I HN -0.084 nan 8.210 nan 0.000 0.424 104 A N 0.940 123.767 122.820 0.010 0.000 1.940 104 A HA -0.167 4.108 4.320 -0.075 0.000 0.219 104 A C 2.505 180.100 177.584 0.018 0.000 1.176 104 A CA 1.886 53.931 52.037 0.014 0.000 0.631 104 A CB -1.329 17.677 19.000 0.010 0.000 0.814 104 A HN 0.428 nan 8.150 nan 0.000 0.446 105 G N -0.578 108.230 108.800 0.014 0.000 2.462 105 G HA2 -0.241 3.674 3.960 -0.075 0.000 0.220 105 G HA3 -0.241 3.674 3.960 -0.075 0.000 0.220 105 G C 1.548 176.462 174.900 0.023 0.000 1.121 105 G CA 1.051 46.160 45.100 0.015 0.000 0.758 105 G HN 0.601 nan 8.290 nan 0.000 0.559 106 K N -0.336 120.078 120.400 0.024 0.000 2.439 106 K HA 0.212 4.487 4.320 -0.075 0.000 0.197 106 K C 2.132 178.765 176.600 0.056 0.000 1.041 106 K CA -0.049 56.257 56.287 0.030 0.000 0.970 106 K CB -0.114 32.396 32.500 0.017 0.000 0.773 106 K HN 0.282 nan 8.250 nan 0.000 0.479 107 L N 0.831 122.094 121.223 0.067 0.000 2.275 107 L HA -0.182 4.113 4.340 -0.075 0.000 0.215 107 L C 1.436 178.414 176.870 0.180 0.000 1.119 107 L CA 1.325 56.239 54.840 0.123 0.000 0.790 107 L CB 0.030 42.145 42.059 0.093 0.000 0.919 107 L HN 0.257 nan 8.230 nan 0.000 0.443 108 Q N -0.997 118.860 119.800 0.096 0.000 2.403 108 Q HA 0.018 4.314 4.340 -0.075 0.000 0.203 108 Q C 0.225 176.278 176.000 0.089 0.000 0.932 108 Q CA -0.028 55.808 55.803 0.056 0.000 0.945 108 Q CB 0.203 28.945 28.738 0.008 0.000 1.045 108 Q HN 0.288 nan 8.270 nan 0.000 0.511 109 T N 0.833 115.470 114.554 0.137 0.000 2.792 109 T HA 0.148 4.454 4.350 -0.075 0.000 0.286 109 T C 1.194 176.000 174.700 0.176 0.000 0.970 109 T CA 0.869 63.038 62.100 0.116 0.000 1.187 109 T CB 0.406 69.321 68.868 0.078 0.000 0.915 109 T HN 0.620 nan 8.240 nan 0.000 0.529 110 G N 3.196 112.056 108.800 0.101 0.000 2.196 110 G HA2 -0.299 3.616 3.960 -0.075 0.000 0.268 110 G HA3 -0.299 3.616 3.960 -0.075 0.000 0.268 110 G C 0.248 175.195 174.900 0.079 0.000 0.975 110 G CA 0.506 45.667 45.100 0.100 0.000 0.648 110 G HN 0.795 nan 8.290 nan 0.000 0.538 111 R N 0.063 120.565 120.500 0.003 0.000 2.598 111 R HA 0.674 4.969 4.340 -0.075 0.000 0.279 111 R C -0.236 175.967 176.300 -0.162 0.000 0.984 111 R CA 0.203 56.178 56.100 -0.208 0.000 0.999 111 R CB 1.327 31.305 30.300 -0.536 0.000 1.114 111 R HN 0.243 nan 8.270 nan 0.000 0.493 112 S N 0.758 116.344 115.700 -0.190 0.000 2.599 112 S HA 0.292 4.718 4.470 -0.075 0.000 0.294 112 S C 0.413 174.892 174.600 -0.200 0.000 1.094 112 S CA -0.788 57.309 58.200 -0.173 0.000 0.931 112 S CB 1.875 64.975 63.200 -0.166 0.000 1.093 112 S HN 0.730 nan 8.310 nan 0.000 0.488 113 R N 2.047 122.422 120.500 -0.207 0.000 2.148 113 R HA 0.098 4.393 4.340 -0.075 0.000 0.227 113 R C 1.470 177.604 176.300 -0.276 0.000 1.103 113 R CA 1.798 57.776 56.100 -0.203 0.000 0.983 113 R CB -0.593 29.600 30.300 -0.178 0.000 0.874 113 R HN 0.648 nan 8.270 nan 0.000 0.451 114 N N 0.977 119.422 118.700 -0.424 0.000 2.104 114 N HA -0.208 4.487 4.740 -0.075 0.000 0.190 114 N C 1.325 176.710 175.510 -0.209 0.000 1.024 114 N CA 1.882 54.608 53.050 -0.541 0.000 0.853 114 N CB -0.226 37.906 38.487 -0.592 0.000 1.008 114 N HN 0.642 nan 8.380 nan 0.000 0.424 115 E N 0.336 120.438 120.200 -0.164 0.000 2.299 115 E HA -0.045 4.260 4.350 -0.075 0.000 0.193 115 E C 1.616 178.161 176.600 -0.092 0.000 0.998 115 E CA 0.388 56.729 56.400 -0.098 0.000 0.851 115 E CB -0.204 29.433 29.700 -0.105 0.000 0.795 115 E HN 0.342 nan 8.360 nan 0.000 0.492 116 Q N 1.133 120.861 119.800 -0.119 0.000 2.046 116 Q HA -0.126 4.169 4.340 -0.075 0.000 0.200 116 Q C 2.655 178.628 176.000 -0.044 0.000 0.975 116 Q CA 2.194 57.938 55.803 -0.098 0.000 0.836 116 Q CB -0.138 28.532 28.738 -0.113 0.000 0.896 116 Q HN 0.405 nan 8.270 nan 0.000 0.428 117 V N -0.968 118.935 119.914 -0.019 0.000 2.287 117 V HA -0.224 3.851 4.120 -0.075 0.000 0.248 117 V C 2.343 178.481 176.094 0.074 0.000 1.053 117 V CA 1.907 64.232 62.300 0.041 0.000 1.027 117 V CB -1.689 30.190 31.823 0.093 0.000 0.646 117 V HN 0.308 nan 8.190 nan 0.000 0.447 118 V N -1.118 118.847 119.914 0.086 0.000 2.427 118 V HA -0.181 3.894 4.120 -0.075 0.000 0.248 118 V C 2.454 178.537 176.094 -0.017 0.000 1.051 118 V CA 2.499 64.867 62.300 0.114 0.000 1.048 118 V CB -2.005 29.898 31.823 0.133 0.000 0.666 118 V HN 0.549 nan 8.190 nan 0.000 0.456 119 T N 0.717 115.247 114.554 -0.041 0.000 2.708 119 T HA -0.172 4.133 4.350 -0.075 0.000 0.266 119 T C 1.648 176.310 174.700 -0.064 0.000 1.037 119 T CA 2.094 64.149 62.100 -0.075 0.000 1.146 119 T CB -0.532 68.298 68.868 -0.063 0.000 0.865 119 T HN 0.571 nan 8.240 nan 0.000 0.435 120 D N 1.004 121.386 120.400 -0.030 0.000 2.117 120 D HA -0.019 4.576 4.640 -0.075 0.000 0.197 120 D C 2.111 178.411 176.300 -0.000 0.000 0.987 120 D CA 0.555 54.547 54.000 -0.014 0.000 0.829 120 D CB -0.550 40.250 40.800 -0.000 0.000 0.961 120 D HN 0.228 nan 8.370 nan 0.000 0.460 121 L N 0.475 121.719 121.223 0.034 0.000 2.012 121 L HA -0.213 4.082 4.340 -0.075 0.000 0.210 121 L C 2.253 179.137 176.870 0.023 0.000 1.073 121 L CA 1.431 56.327 54.840 0.093 0.000 0.748 121 L CB -0.095 42.116 42.059 0.252 0.000 0.891 121 L HN 0.037 nan 8.230 nan 0.000 0.431 122 K N -0.745 119.562 120.400 -0.155 0.000 2.026 122 K HA -0.190 4.085 4.320 -0.075 0.000 0.208 122 K C 1.965 178.489 176.600 -0.127 0.000 1.048 122 K CA 0.909 57.026 56.287 -0.283 0.000 0.929 122 K CB -0.110 32.113 32.500 -0.462 0.000 0.713 122 K HN 0.125 nan 8.250 nan 0.000 0.439 123 L N 1.041 122.211 121.223 -0.089 0.000 2.043 123 L HA -0.196 4.099 4.340 -0.075 0.000 0.212 123 L C 2.309 179.164 176.870 -0.026 0.000 1.075 123 L CA 1.386 56.195 54.840 -0.051 0.000 0.752 123 L CB -1.087 40.951 42.059 -0.036 0.000 0.891 123 L HN 0.200 nan 8.230 nan 0.000 0.432 124 L N -1.000 120.216 121.223 -0.010 0.000 2.027 124 L HA -0.173 4.122 4.340 -0.075 0.000 0.206 124 L C 2.302 179.181 176.870 0.016 0.000 1.074 124 L CA 1.553 56.398 54.840 0.009 0.000 0.745 124 L CB -0.689 41.385 42.059 0.025 0.000 0.898 124 L HN 0.113 nan 8.230 nan 0.000 0.433 125 L N 0.014 121.254 121.223 0.028 0.000 2.131 125 L HA -0.197 4.099 4.340 -0.075 0.000 0.210 125 L C 2.539 179.420 176.870 0.019 0.000 1.092 125 L CA 1.595 56.462 54.840 0.044 0.000 0.759 125 L CB -1.179 40.938 42.059 0.097 0.000 0.903 125 L HN 0.388 nan 8.230 nan 0.000 0.435 126 K N -0.424 119.972 120.400 -0.007 0.000 2.103 126 K HA -0.189 4.086 4.320 -0.075 0.000 0.207 126 K C 2.188 178.784 176.600 -0.008 0.000 1.048 126 K CA 1.761 58.039 56.287 -0.014 0.000 0.930 126 K CB 0.062 32.544 32.500 -0.030 0.000 0.716 126 K HN 0.492 nan 8.250 nan 0.000 0.444 127 S N -0.645 115.052 115.700 -0.006 0.000 2.406 127 S HA -0.001 4.424 4.470 -0.075 0.000 0.224 127 S C 2.059 176.657 174.600 -0.004 0.000 1.030 127 S CA 0.934 59.130 58.200 -0.006 0.000 0.958 127 S CB 0.078 63.275 63.200 -0.005 0.000 0.811 127 S HN 0.179 nan 8.310 nan 0.000 0.489 128 S N 2.138 117.842 115.700 0.007 0.000 2.368 128 S HA 0.091 4.516 4.470 -0.075 0.000 0.225 128 S C 1.744 176.349 174.600 0.009 0.000 1.030 128 S CA 1.349 59.557 58.200 0.014 0.000 0.999 128 S CB -0.558 62.658 63.200 0.028 0.000 0.844 128 S HN 0.498 nan 8.310 nan 0.000 0.459 129 I N 1.067 121.644 120.570 0.011 0.000 2.264 129 I HA -0.198 3.928 4.170 -0.075 0.000 0.248 129 I C 2.657 178.769 176.117 -0.009 0.000 1.111 129 I CA 1.125 62.430 61.300 0.009 0.000 1.382 129 I CB -0.413 37.595 38.000 0.014 0.000 1.060 129 I HN 0.324 nan 8.210 nan 0.000 0.418 130 S N 0.492 116.181 115.700 -0.018 0.000 2.368 130 S HA -0.144 4.281 4.470 -0.075 0.000 0.225 130 S C 2.074 176.632 174.600 -0.069 0.000 1.030 130 S CA 1.540 59.718 58.200 -0.036 0.000 0.999 130 S CB -0.247 62.934 63.200 -0.032 0.000 0.844 130 S HN 0.241 nan 8.310 nan 0.000 0.459 131 V N 1.953 121.823 119.914 -0.073 0.000 2.307 131 V HA -0.128 3.947 4.120 -0.075 0.000 0.245 131 V C 2.353 178.347 176.094 -0.167 0.000 1.045 131 V CA 1.969 64.184 62.300 -0.141 0.000 1.024 131 V CB -0.653 31.128 31.823 -0.070 0.000 0.651 131 V HN 0.507 nan 8.190 nan 0.000 0.449 132 I N 0.026 120.571 120.570 -0.042 0.000 2.163 132 I HA -0.286 3.839 4.170 -0.075 0.000 0.243 132 I C 2.773 178.888 176.117 -0.004 0.000 1.085 132 I CA 1.944 63.254 61.300 0.017 0.000 1.347 132 I CB -0.486 37.534 38.000 0.033 0.000 1.044 132 I HN 0.346 nan 8.210 nan 0.000 0.408 133 S N 0.132 115.817 115.700 -0.024 0.000 2.365 133 S HA -0.240 4.185 4.470 -0.075 0.000 0.225 133 S C 2.068 176.646 174.600 -0.037 0.000 1.039 133 S CA 2.423 60.611 58.200 -0.020 0.000 1.033 133 S CB -0.411 62.776 63.200 -0.021 0.000 0.887 133 S HN 0.457 nan 8.310 nan 0.000 0.447 134 T N 0.694 115.184 114.554 -0.107 0.000 2.720 134 T HA -0.129 4.176 4.350 -0.075 0.000 0.268 134 T C 1.419 176.078 174.700 -0.067 0.000 1.037 134 T CA 1.980 63.998 62.100 -0.136 0.000 1.144 134 T CB -0.565 68.143 68.868 -0.266 0.000 0.864 134 T HN 0.702 nan 8.240 nan 0.000 0.444 135 H N -0.136 118.939 119.070 0.009 0.000 2.470 135 H HA 0.232 4.785 4.556 -0.004 0.000 0.289 135 H C 2.307 177.638 175.328 0.004 0.000 1.033 135 H CA 0.339 56.391 56.048 0.007 0.000 1.331 135 H CB 0.035 29.803 29.762 0.009 0.000 1.414 135 H HN 0.142 nan 8.280 nan 0.000 0.545 136 L N 0.273 121.564 121.223 0.113 0.000 2.027 136 L HA -0.176 4.119 4.340 -0.075 0.000 0.206 136 L C 1.673 178.569 176.870 0.044 0.000 1.074 136 L CA 0.886 55.765 54.840 0.065 0.000 0.745 136 L CB -0.031 42.056 42.059 0.046 0.000 0.898 136 L HN 0.275 nan 8.230 nan 0.000 0.433 137 L N -0.247 120.997 121.223 0.035 0.000 2.083 137 L HA -0.247 4.049 4.340 -0.075 0.000 0.209 137 L C 2.547 179.433 176.870 0.027 0.000 1.083 137 L CA 1.580 56.434 54.840 0.022 0.000 0.752 137 L CB -0.999 41.067 42.059 0.012 0.000 0.899 137 L HN 0.361 nan 8.230 nan 0.000 0.433 138 Q N -0.723 119.106 119.800 0.047 0.000 2.084 138 Q HA -0.222 4.074 4.340 -0.075 0.000 0.202 138 Q C 2.384 178.402 176.000 0.030 0.000 0.978 138 Q CA 1.398 57.230 55.803 0.049 0.000 0.844 138 Q CB -0.098 28.692 28.738 0.087 0.000 0.898 138 Q HN 0.497 nan 8.270 nan 0.000 0.426 139 L N 0.405 121.645 121.223 0.028 0.000 2.017 139 L HA -0.210 4.085 4.340 -0.075 0.000 0.208 139 L C 2.233 179.097 176.870 -0.009 0.000 1.073 139 L CA 1.232 56.073 54.840 0.002 0.000 0.745 139 L CB -0.269 41.789 42.059 -0.000 0.000 0.894 139 L HN 0.353 nan 8.230 nan 0.000 0.432 140 I N -0.007 120.561 120.570 -0.003 0.000 2.163 140 I HA -0.371 3.754 4.170 -0.075 0.000 0.243 140 I C 2.636 178.745 176.117 -0.014 0.000 1.085 140 I CA 1.545 62.836 61.300 -0.014 0.000 1.347 140 I CB -0.426 37.569 38.000 -0.009 0.000 1.044 140 I HN 0.312 nan 8.210 nan 0.000 0.408 141 K N 0.673 121.072 120.400 -0.002 0.000 2.103 141 K HA -0.183 4.092 4.320 -0.075 0.000 0.207 141 K C 2.055 178.656 176.600 0.002 0.000 1.048 141 K CA 1.927 58.215 56.287 0.001 0.000 0.930 141 K CB -0.072 32.433 32.500 0.009 0.000 0.716 141 K HN 0.237 nan 8.250 nan 0.000 0.444 142 T N 1.766 116.322 114.554 0.003 0.000 2.746 142 T HA -0.109 4.196 4.350 -0.075 0.000 0.267 142 T C 1.779 176.479 174.700 -0.000 0.000 1.039 142 T CA 1.299 63.403 62.100 0.006 0.000 1.142 142 T CB -0.094 68.775 68.868 0.003 0.000 0.866 142 T HN 0.163 nan 8.240 nan 0.000 0.444 143 L N 1.218 122.428 121.223 -0.021 0.000 2.056 143 L HA -0.079 4.216 4.340 -0.075 0.000 0.207 143 L C 2.843 179.688 176.870 -0.043 0.000 1.078 143 L CA 1.064 55.878 54.840 -0.044 0.000 0.749 143 L CB -0.793 41.222 42.059 -0.073 0.000 0.901 143 L HN 0.250 nan 8.230 nan 0.000 0.433 144 V N -2.800 117.094 119.914 -0.033 0.000 2.358 144 V HA -0.151 3.924 4.120 -0.075 0.000 0.246 144 V C 2.315 178.405 176.094 -0.007 0.000 1.047 144 V CA 1.382 63.666 62.300 -0.028 0.000 1.035 144 V CB -0.541 31.268 31.823 -0.023 0.000 0.658 144 V HN 0.344 nan 8.190 nan 0.000 0.452 145 E N 0.770 120.974 120.200 0.005 0.000 2.110 145 E HA -0.185 4.120 4.350 -0.075 0.000 0.193 145 E C 2.340 178.962 176.600 0.037 0.000 0.988 145 E CA 1.664 58.076 56.400 0.020 0.000 0.804 145 E CB -0.454 29.260 29.700 0.022 0.000 0.745 145 E HN 0.718 nan 8.360 nan 0.000 0.458 146 R N 0.546 121.072 120.500 0.044 0.000 2.115 146 R HA 0.007 4.302 4.340 -0.075 0.000 0.226 146 R C 2.079 178.436 176.300 0.094 0.000 1.100 146 R CA 1.003 57.154 56.100 0.085 0.000 0.980 146 R CB -0.042 30.326 30.300 0.114 0.000 0.875 146 R HN 0.099 nan 8.270 nan 0.000 0.445 147 A N 0.616 123.455 122.820 0.032 0.000 1.969 147 A HA -0.051 4.224 4.320 -0.075 0.000 0.218 147 A C 2.218 179.827 177.584 0.041 0.000 1.169 147 A CA 1.499 53.539 52.037 0.005 0.000 0.635 147 A CB -0.436 18.531 19.000 -0.055 0.000 0.810 147 A HN 0.494 nan 8.150 nan 0.000 0.445 148 A N -0.415 122.427 122.820 0.038 0.000 1.970 148 A HA 0.121 4.397 4.320 -0.075 0.000 0.216 148 A C 2.014 179.632 177.584 0.056 0.000 1.170 148 A CA 1.158 53.218 52.037 0.039 0.000 0.645 148 A CB -0.404 18.613 19.000 0.028 0.000 0.816 148 A HN 0.475 nan 8.150 nan 0.000 0.447 149 I N -0.695 119.918 120.570 0.071 0.000 2.406 149 I HA -0.106 4.019 4.170 -0.075 0.000 0.249 149 I C 1.209 177.385 176.117 0.098 0.000 1.122 149 I CA 0.969 62.315 61.300 0.077 0.000 1.431 149 I CB -0.092 37.955 38.000 0.078 0.000 1.087 149 I HN 0.301 nan 8.210 nan 0.000 0.424 150 E N 0.730 121.020 120.200 0.150 0.000 2.499 150 E HA 0.146 4.451 4.350 -0.075 0.000 0.207 150 E C 1.517 178.243 176.600 0.210 0.000 1.034 150 E CA -0.158 56.360 56.400 0.195 0.000 1.098 150 E CB 0.446 30.342 29.700 0.326 0.000 1.148 150 E HN 0.434 nan 8.360 nan 0.000 0.447 151 I N 0.905 121.555 120.570 0.132 0.000 2.567 151 I HA -0.224 3.902 4.170 -0.075 0.000 0.257 151 I C 0.995 177.170 176.117 0.097 0.000 1.184 151 I CA 1.227 62.591 61.300 0.107 0.000 1.451 151 I CB 0.340 38.380 38.000 0.067 0.000 1.089 151 I HN 0.086 nan 8.210 nan 0.000 0.441 152 D N 0.712 121.163 120.400 0.084 0.000 2.348 152 D HA 0.095 4.690 4.640 -0.075 0.000 0.211 152 D C 0.882 177.215 176.300 0.055 0.000 0.998 152 D CA 0.268 54.304 54.000 0.060 0.000 0.873 152 D CB 0.312 41.137 40.800 0.041 0.000 0.925 152 D HN 0.338 nan 8.370 nan 0.000 0.524 153 I N 1.516 122.130 120.570 0.074 0.000 2.496 153 I HA 0.086 4.211 4.170 -0.075 0.000 0.285 153 I C -0.444 175.707 176.117 0.057 0.000 1.080 153 I CA -0.094 61.225 61.300 0.032 0.000 1.404 153 I CB 0.506 38.489 38.000 -0.028 0.000 1.403 153 I HN -0.270 nan 8.210 nan 0.000 0.539 154 I N 8.296 128.864 120.570 -0.002 0.000 2.603 154 I HA 0.470 4.596 4.170 -0.075 0.000 0.300 154 I C -0.141 175.925 176.117 -0.084 0.000 1.017 154 I CA -0.728 60.568 61.300 -0.007 0.000 1.098 154 I CB 1.851 39.849 38.000 -0.003 0.000 1.279 154 I HN 0.651 nan 8.210 nan 0.000 0.437 155 M N 5.645 125.188 119.600 -0.096 0.000 2.683 155 M HA 0.659 5.094 4.480 -0.075 0.000 0.274 155 M C -3.045 173.155 176.300 -0.167 0.000 1.272 155 M CA -1.846 53.317 55.300 -0.229 0.000 0.833 155 M CB 2.547 34.917 32.600 -0.383 0.000 1.708 155 M HN 0.020 nan 8.290 nan 0.000 0.463 156 P HA 0.288 nan 4.420 nan 0.000 0.275 156 P C -0.512 176.709 177.300 -0.132 0.000 1.228 156 P CA 0.141 63.132 63.100 -0.180 0.000 0.786 156 P CB 0.901 32.467 31.700 -0.222 0.000 0.927 157 G N 1.606 110.315 108.800 -0.152 0.000 2.388 157 G HA2 0.557 4.473 3.960 -0.075 0.000 0.330 157 G HA3 0.557 4.473 3.960 -0.075 0.000 0.330 157 G C -1.560 173.279 174.900 -0.102 0.000 1.142 157 G CA -0.328 44.773 45.100 0.003 0.000 0.908 157 G HN 0.322 nan 8.290 nan 0.000 0.473 158 Y N -0.066 120.329 120.300 0.158 0.000 2.509 158 Y HA 0.701 5.207 4.550 -0.073 0.000 0.341 158 Y C 0.637 176.607 175.900 0.116 0.000 1.038 158 Y CA -0.846 57.355 58.100 0.168 0.000 1.089 158 Y CB 2.778 41.382 38.460 0.241 0.000 1.241 158 Y HN 0.649 nan 8.280 nan 0.000 0.468 159 T N -1.409 113.308 114.554 0.272 0.000 3.071 159 T HA 0.321 4.627 4.350 -0.075 0.000 0.311 159 T C -0.785 174.056 174.700 0.235 0.000 1.042 159 T CA -0.789 61.398 62.100 0.146 0.000 1.028 159 T CB 0.793 69.745 68.868 0.140 0.000 1.068 159 T HN 0.919 nan 8.240 nan 0.000 0.451 160 H N 2.056 121.202 119.070 0.127 0.000 3.047 160 H HA -0.140 4.372 4.556 -0.074 0.000 0.263 160 H C 0.830 176.247 175.328 0.148 0.000 1.168 160 H CA 0.766 56.879 56.048 0.108 0.000 1.152 160 H CB -1.224 28.592 29.762 0.090 0.000 1.278 160 H HN 0.877 nan 8.280 nan 0.000 0.339 161 L N -1.164 120.225 121.223 0.277 0.000 3.717 161 L HA -0.270 4.025 4.340 -0.075 0.000 0.411 161 L C -0.213 176.943 176.870 0.476 0.000 1.233 161 L CA 1.100 56.132 54.840 0.319 0.000 0.917 161 L CB -0.470 41.694 42.059 0.174 0.000 1.902 161 L HN 0.320 nan 8.230 nan 0.000 0.894 162 Q N 0.299 120.395 119.800 0.495 0.000 2.347 162 Q HA 0.396 4.691 4.340 -0.075 0.000 0.271 162 Q C -0.245 175.869 176.000 0.190 0.000 1.064 162 Q CA -0.700 55.310 55.803 0.346 0.000 0.800 162 Q CB 2.211 31.075 28.738 0.209 0.000 1.304 162 Q HN 0.141 nan 8.270 nan 0.000 0.438 163 K N 0.910 121.290 120.400 -0.034 0.000 2.484 163 K HA 0.146 4.421 4.320 -0.075 0.000 0.280 163 K C 0.408 176.927 176.600 -0.135 0.000 1.013 163 K CA 0.412 56.493 56.287 -0.343 0.000 1.029 163 K CB 0.577 32.927 32.500 -0.250 0.000 0.902 163 K HN 0.704 nan 8.250 nan 0.000 0.481 164 A N 3.684 126.418 122.820 -0.144 0.000 2.016 164 A HA 0.232 4.508 4.320 -0.075 0.000 0.202 164 A C -0.256 177.309 177.584 -0.032 0.000 1.632 164 A CA 0.352 52.367 52.037 -0.036 0.000 0.891 164 A CB 0.164 19.171 19.000 0.012 0.000 1.103 164 A HN 0.534 nan 8.150 nan 0.000 0.547 165 L N -4.887 116.303 121.223 -0.055 0.000 2.775 165 L HA 0.693 4.988 4.340 -0.075 0.000 0.263 165 L C -3.421 173.423 176.870 -0.044 0.000 1.017 165 L CA -2.234 52.592 54.840 -0.024 0.000 0.891 165 L CB 0.338 42.405 42.059 0.013 0.000 1.482 165 L HN -0.203 nan 8.230 nan 0.000 0.410 166 P HA 0.536 nan 4.420 nan 0.000 0.269 166 P C -0.933 176.357 177.300 -0.017 0.000 1.209 166 P CA 0.243 63.333 63.100 -0.016 0.000 0.776 166 P CB 0.730 32.441 31.700 0.017 0.000 0.876 167 I N 1.116 121.675 120.570 -0.018 0.000 2.841 167 I HA 0.304 4.429 4.170 -0.075 0.000 0.298 167 I C -0.386 175.750 176.117 0.031 0.000 1.304 167 I CA -1.142 60.153 61.300 -0.008 0.000 1.019 167 I CB 2.214 40.208 38.000 -0.010 0.000 1.282 167 I HN 0.131 nan 8.210 nan 0.000 0.432 168 R N 5.028 125.558 120.500 0.050 0.000 2.389 168 R HA 0.042 4.337 4.340 -0.075 0.000 0.295 168 R C 0.845 177.237 176.300 0.155 0.000 1.075 168 R CA -0.103 56.054 56.100 0.094 0.000 1.005 168 R CB 0.698 31.044 30.300 0.078 0.000 0.987 168 R HN 0.732 nan 8.270 nan 0.000 0.452 169 W N 3.812 125.111 121.300 -0.002 0.000 2.364 169 W HA -0.170 4.440 4.660 -0.083 0.000 0.281 169 W C 0.231 176.835 176.519 0.142 0.000 1.219 169 W CA 1.251 58.617 57.345 0.035 0.000 1.220 169 W CB 0.040 29.476 29.460 -0.040 0.000 1.127 169 W HN 0.457 nan 8.180 nan 0.000 0.556 170 S N 0.798 116.492 115.700 -0.011 0.000 2.453 170 S HA -0.226 4.199 4.470 -0.075 0.000 0.231 170 S C 1.585 176.114 174.600 -0.118 0.000 1.005 170 S CA 1.596 59.709 58.200 -0.145 0.000 0.949 170 S CB -0.274 62.929 63.200 0.005 0.000 0.774 170 S HN 0.320 nan 8.310 nan 0.000 0.510 171 Q N 1.031 120.812 119.800 -0.032 0.000 2.079 171 Q HA -0.060 4.235 4.340 -0.075 0.000 0.200 171 Q C 1.694 177.663 176.000 -0.051 0.000 0.974 171 Q CA 1.437 57.221 55.803 -0.031 0.000 0.840 171 Q CB -0.535 28.204 28.738 0.001 0.000 0.898 171 Q HN 0.514 nan 8.270 nan 0.000 0.430 172 F N 0.137 119.990 119.950 -0.162 0.000 2.075 172 F HA -0.162 4.319 4.527 -0.078 0.000 0.297 172 F C 1.583 177.265 175.800 -0.196 0.000 1.113 172 F CA 1.578 59.488 58.000 -0.150 0.000 1.218 172 F CB -0.397 38.550 39.000 -0.088 0.000 0.984 172 F HN 0.123 nan 8.300 nan 0.000 0.472 173 L N -0.001 120.961 121.223 -0.435 0.000 2.042 173 L HA -0.271 4.024 4.340 -0.075 0.000 0.210 173 L C 2.532 179.214 176.870 -0.313 0.000 1.076 173 L CA 1.415 55.980 54.840 -0.458 0.000 0.749 173 L CB -0.878 40.911 42.059 -0.449 0.000 0.893 173 L HN 0.270 nan 8.230 nan 0.000 0.432 174 L N -0.463 120.610 121.223 -0.250 0.000 2.141 174 L HA -0.172 4.123 4.340 -0.075 0.000 0.209 174 L C 2.867 179.604 176.870 -0.221 0.000 1.094 174 L CA 1.312 56.042 54.840 -0.185 0.000 0.763 174 L CB -0.580 41.400 42.059 -0.131 0.000 0.908 174 L HN 0.401 nan 8.230 nan 0.000 0.437 175 S N -1.357 114.159 115.700 -0.308 0.000 2.399 175 S HA -0.238 4.188 4.470 -0.075 0.000 0.231 175 S C 1.717 176.043 174.600 -0.456 0.000 1.022 175 S CA 1.246 59.225 58.200 -0.368 0.000 0.983 175 S CB -0.542 62.403 63.200 -0.425 0.000 0.803 175 S HN 0.516 nan 8.310 nan 0.000 0.480 176 H N 1.488 120.324 119.070 -0.390 0.000 2.372 176 H HA 0.368 4.885 4.556 -0.065 0.000 0.301 176 H C 2.596 177.769 175.328 -0.258 0.000 1.065 176 H CA 1.134 56.971 56.048 -0.352 0.000 1.364 176 H CB -0.435 29.094 29.762 -0.388 0.000 1.406 176 H HN 0.548 nan 8.280 nan 0.000 0.521 177 A N 0.474 123.231 122.820 -0.106 0.000 1.908 177 A HA -0.179 4.096 4.320 -0.075 0.000 0.218 177 A C 2.484 180.010 177.584 -0.097 0.000 1.181 177 A CA 1.786 53.770 52.037 -0.089 0.000 0.627 177 A CB -1.052 17.896 19.000 -0.086 0.000 0.818 177 A HN 0.355 nan 8.150 nan 0.000 0.445 178 V N -0.529 119.308 119.914 -0.128 0.000 2.515 178 V HA -0.055 4.020 4.120 -0.075 0.000 0.250 178 V C 2.570 178.583 176.094 -0.134 0.000 1.058 178 V CA 2.195 64.425 62.300 -0.116 0.000 1.064 178 V CB -0.681 31.070 31.823 -0.121 0.000 0.675 178 V HN 0.587 nan 8.190 nan 0.000 0.461 179 A N -0.034 122.653 122.820 -0.220 0.000 1.898 179 A HA -0.043 4.232 4.320 -0.075 0.000 0.216 179 A C 2.131 179.614 177.584 -0.170 0.000 1.181 179 A CA 1.910 53.743 52.037 -0.339 0.000 0.620 179 A CB -0.597 17.968 19.000 -0.725 0.000 0.819 179 A HN 0.581 nan 8.150 nan 0.000 0.442 180 L N 0.203 121.367 121.223 -0.098 0.000 2.201 180 L HA -0.137 4.158 4.340 -0.075 0.000 0.212 180 L C 2.881 179.763 176.870 0.021 0.000 1.105 180 L CA 1.614 56.466 54.840 0.021 0.000 0.775 180 L CB -0.699 41.364 42.059 0.007 0.000 0.913 180 L HN 0.659 nan 8.230 nan 0.000 0.440 181 T N -3.243 111.304 114.554 -0.012 0.000 2.951 181 T HA -0.149 4.157 4.350 -0.075 0.000 0.268 181 T C 1.989 176.695 174.700 0.010 0.000 1.073 181 T CA 0.569 62.666 62.100 -0.005 0.000 1.134 181 T CB -0.197 68.659 68.868 -0.021 0.000 0.884 181 T HN 0.259 nan 8.240 nan 0.000 0.479 182 R N 1.071 121.582 120.500 0.018 0.000 2.115 182 R HA -0.028 4.267 4.340 -0.075 0.000 0.230 182 R C 2.070 178.406 176.300 0.060 0.000 1.111 182 R CA 1.490 57.613 56.100 0.039 0.000 0.976 182 R CB -0.243 30.089 30.300 0.054 0.000 0.870 182 R HN 0.508 nan 8.270 nan 0.000 0.445 183 D N -0.198 120.255 120.400 0.088 0.000 2.144 183 D HA -0.114 4.481 4.640 -0.075 0.000 0.200 183 D C 1.788 178.113 176.300 0.041 0.000 0.978 183 D CA 1.045 55.088 54.000 0.071 0.000 0.833 183 D CB -0.181 40.677 40.800 0.097 0.000 0.961 183 D HN 0.024 nan 8.370 nan 0.000 0.470 184 S N 0.421 116.142 115.700 0.036 0.000 2.356 184 S HA -0.211 4.214 4.470 -0.075 0.000 0.223 184 S C 1.855 176.465 174.600 0.018 0.000 1.032 184 S CA 1.418 59.632 58.200 0.023 0.000 1.005 184 S CB -0.051 63.159 63.200 0.017 0.000 0.867 184 S HN 0.248 nan 8.310 nan 0.000 0.449 185 E N 0.227 120.437 120.200 0.017 0.000 2.077 185 E HA -0.152 4.153 4.350 -0.075 0.000 0.193 185 E C 2.402 179.011 176.600 0.015 0.000 0.989 185 E CA 0.917 57.325 56.400 0.014 0.000 0.800 185 E CB -0.071 29.637 29.700 0.012 0.000 0.746 185 E HN 0.430 nan 8.360 nan 0.000 0.452 186 R N 0.144 120.655 120.500 0.019 0.000 2.120 186 R HA -0.067 4.229 4.340 -0.075 0.000 0.234 186 R C 2.556 178.867 176.300 0.018 0.000 1.123 186 R CA 0.770 56.881 56.100 0.018 0.000 0.975 186 R CB -0.218 30.093 30.300 0.017 0.000 0.866 186 R HN 0.306 nan 8.270 nan 0.000 0.446 187 L N -0.234 121.000 121.223 0.019 0.000 2.083 187 L HA -0.103 4.192 4.340 -0.075 0.000 0.209 187 L C 2.239 179.119 176.870 0.017 0.000 1.083 187 L CA 1.466 56.317 54.840 0.019 0.000 0.752 187 L CB -0.578 41.492 42.059 0.019 0.000 0.899 187 L HN 0.353 nan 8.230 nan 0.000 0.433 188 G N -0.667 108.141 108.800 0.014 0.000 2.408 188 G HA2 -0.230 3.685 3.960 -0.075 0.000 0.217 188 G HA3 -0.230 3.685 3.960 -0.075 0.000 0.217 188 G C 1.324 176.231 174.900 0.012 0.000 1.150 188 G CA 0.428 45.534 45.100 0.011 0.000 0.776 188 G HN 0.442 nan 8.290 nan 0.000 0.542 189 E N 0.020 120.229 120.200 0.014 0.000 2.152 189 E HA -0.030 4.275 4.350 -0.075 0.000 0.192 189 E C 2.592 179.204 176.600 0.021 0.000 0.983 189 E CA 0.566 56.975 56.400 0.016 0.000 0.818 189 E CB 0.004 29.713 29.700 0.015 0.000 0.758 189 E HN 0.312 nan 8.360 nan 0.000 0.467 190 V N 1.678 121.608 119.914 0.026 0.000 2.548 190 V HA -0.204 3.872 4.120 -0.075 0.000 0.249 190 V C 2.314 178.431 176.094 0.038 0.000 1.055 190 V CA 1.365 63.688 62.300 0.038 0.000 1.065 190 V CB -0.359 31.490 31.823 0.043 0.000 0.681 190 V HN 0.180 nan 8.190 nan 0.000 0.462 191 K N 0.372 120.787 120.400 0.025 0.000 2.063 191 K HA -0.254 4.021 4.320 -0.075 0.000 0.208 191 K C 2.228 178.832 176.600 0.007 0.000 1.048 191 K CA 1.547 57.843 56.287 0.015 0.000 0.928 191 K CB -0.043 32.462 32.500 0.008 0.000 0.713 191 K HN 0.277 nan 8.250 nan 0.000 0.442 192 K N 0.448 120.853 120.400 0.009 0.000 2.113 192 K HA -0.123 4.152 4.320 -0.075 0.000 0.208 192 K C 2.035 178.636 176.600 0.003 0.000 1.047 192 K CA 1.452 57.741 56.287 0.004 0.000 0.928 192 K CB -0.059 32.445 32.500 0.007 0.000 0.716 192 K HN 0.153 nan 8.250 nan 0.000 0.446 193 R N -0.383 120.127 120.500 0.016 0.000 2.246 193 R HA 0.192 4.488 4.340 -0.075 0.000 0.199 193 R C 1.931 178.232 176.300 0.002 0.000 0.984 193 R CA 0.448 56.561 56.100 0.022 0.000 1.015 193 R CB 0.056 30.387 30.300 0.051 0.000 0.930 193 R HN 0.166 nan 8.270 nan 0.000 0.475 194 I N 0.601 121.166 120.570 -0.008 0.000 2.584 194 I HA -0.133 3.993 4.170 -0.075 0.000 0.255 194 I C 1.453 177.497 176.117 -0.123 0.000 1.145 194 I CA 1.076 62.331 61.300 -0.076 0.000 1.462 194 I CB -0.001 37.987 38.000 -0.019 0.000 1.102 194 I HN 0.149 nan 8.210 nan 0.000 0.433 195 T N -1.054 113.458 114.554 -0.069 0.000 3.434 195 T HA 0.193 4.499 4.350 -0.075 0.000 0.249 195 T C 0.279 174.941 174.700 -0.063 0.000 1.050 195 T CA -0.118 61.942 62.100 -0.066 0.000 0.952 195 T CB -0.915 67.930 68.868 -0.039 0.000 1.046 195 T HN -0.075 nan 8.240 nan 0.000 0.590 196 V N 2.574 122.440 119.914 -0.080 0.000 2.333 196 V HA 0.367 4.442 4.120 -0.075 0.000 0.274 196 V C 0.161 176.205 176.094 -0.083 0.000 1.028 196 V CA -1.167 61.096 62.300 -0.062 0.000 0.851 196 V CB 0.738 32.535 31.823 -0.043 0.000 1.000 196 V HN 0.461 nan 8.190 nan 0.000 0.456 197 L N 10.114 131.301 121.223 -0.060 0.000 2.418 197 L HA 0.360 4.655 4.340 -0.075 0.000 0.274 197 L C -1.241 175.603 176.870 -0.045 0.000 1.135 197 L CA -0.741 54.064 54.840 -0.058 0.000 0.870 197 L CB 0.884 42.922 42.059 -0.035 0.000 1.154 197 L HN 0.375 nan 8.230 nan 0.000 0.462 198 P HA 0.013 nan 4.420 nan 0.000 0.264 198 P C 0.185 177.471 177.300 -0.024 0.000 1.259 198 P CA -0.263 62.817 63.100 -0.033 0.000 0.841 198 P CB 0.358 32.035 31.700 -0.039 0.000 1.232 199 L N 1.416 122.623 121.223 -0.026 0.000 2.490 199 L HA 0.359 4.655 4.340 -0.075 0.000 0.274 199 L C 1.233 178.117 176.870 0.022 0.000 1.201 199 L CA 1.835 56.665 54.840 -0.016 0.000 0.869 199 L CB -0.805 41.255 42.059 0.000 0.000 1.123 199 L HN 0.384 nan 8.230 nan 0.000 0.484 200 G N 2.315 111.134 108.800 0.031 0.000 2.138 200 G HA2 -0.226 3.690 3.960 -0.075 0.000 0.193 200 G HA3 -0.226 3.690 3.960 -0.075 0.000 0.193 200 G C 0.677 175.598 174.900 0.035 0.000 0.998 200 G CA 0.217 45.361 45.100 0.074 0.000 0.668 200 G HN 0.684 nan 8.290 nan 0.000 0.516 201 S N -0.243 115.460 115.700 0.005 0.000 2.524 201 S HA 0.484 4.910 4.470 -0.075 0.000 0.215 201 S C 1.915 176.509 174.600 -0.011 0.000 0.986 201 S CA 1.193 59.393 58.200 0.000 0.000 0.911 201 S CB 0.461 63.659 63.200 -0.003 0.000 0.805 201 S HN 2.209 nan 8.310 nan 0.000 0.501 202 G N 1.563 110.348 108.800 -0.026 0.000 2.566 202 G HA2 -0.318 3.597 3.960 -0.075 0.000 0.280 202 G HA3 -0.318 3.597 3.960 -0.075 0.000 0.280 202 G C 0.710 175.570 174.900 -0.066 0.000 1.225 202 G CA 0.070 45.146 45.100 -0.040 0.000 0.966 202 G HN 0.326 nan 8.290 nan 0.000 0.560 203 V N -0.417 119.463 119.914 -0.056 0.000 2.591 203 V HA 0.284 4.359 4.120 -0.075 0.000 0.249 203 V C 1.975 178.044 176.094 -0.041 0.000 1.053 203 V CA 2.829 65.086 62.300 -0.072 0.000 1.068 203 V CB 0.362 32.153 31.823 -0.054 0.000 0.689 203 V HN 1.326 nan 8.190 nan 0.000 0.462 204 L N -2.254 118.961 121.223 -0.014 0.000 2.899 204 L HA 0.357 4.653 4.340 -0.075 0.000 0.329 204 L C 1.472 178.349 176.870 0.011 0.000 1.061 204 L CA 1.188 56.033 54.840 0.009 0.000 1.569 204 L CB -0.640 41.431 42.059 0.020 0.000 2.617 204 L HN -0.029 nan 8.230 nan 0.000 0.549 205 A N 0.300 123.124 122.820 0.007 0.000 2.275 205 A HA 0.739 5.014 4.320 -0.075 0.000 0.212 205 A C 1.229 178.819 177.584 0.010 0.000 1.201 205 A CA 0.915 52.958 52.037 0.009 0.000 0.843 205 A CB -0.574 18.431 19.000 0.008 0.000 0.873 205 A HN 1.288 nan 8.150 nan 0.000 0.492 206 G N -0.457 108.348 108.800 0.008 0.000 2.422 206 G HA2 -0.097 3.818 3.960 -0.075 0.000 0.607 206 G HA3 -0.097 3.818 3.960 -0.075 0.000 0.607 206 G C -0.725 174.185 174.900 0.017 0.000 1.270 206 G CA -0.280 44.827 45.100 0.012 0.000 0.992 206 G HN 0.479 nan 8.290 nan 0.000 0.499 207 N N 1.212 119.929 118.700 0.028 0.000 2.472 207 N HA 0.455 5.150 4.740 -0.075 0.000 0.277 207 N C -1.027 174.501 175.510 0.030 0.000 1.081 207 N CA -0.998 52.077 53.050 0.043 0.000 0.973 207 N CB 1.740 40.269 38.487 0.070 0.000 1.105 207 N HN 0.389 nan 8.380 nan 0.000 0.470 208 P HA 0.185 nan 4.420 nan 0.000 0.261 208 P C 0.360 177.669 177.300 0.015 0.000 1.268 208 P CA 0.303 63.414 63.100 0.019 0.000 0.833 208 P CB 0.465 32.174 31.700 0.016 0.000 1.231 209 L N 0.077 121.311 121.223 0.018 0.000 2.965 209 L HA 0.266 4.561 4.340 -0.075 0.000 0.254 209 L C 0.035 176.901 176.870 -0.007 0.000 1.220 209 L CA -0.236 54.606 54.840 0.004 0.000 1.023 209 L CB -0.556 41.504 42.059 0.001 0.000 1.355 209 L HN -0.117 nan 8.230 nan 0.000 0.545 210 E N 0.789 120.988 120.200 -0.001 0.000 2.269 210 E HA -0.245 4.061 4.350 -0.075 0.000 0.223 210 E C 0.223 176.813 176.600 -0.017 0.000 1.244 210 E CA 0.379 56.776 56.400 -0.007 0.000 0.713 210 E CB -1.188 28.506 29.700 -0.009 0.000 1.178 210 E HN 0.489 nan 8.360 nan 0.000 0.370 211 I N 0.966 121.526 120.570 -0.016 0.000 2.720 211 I HA 0.005 4.130 4.170 -0.075 0.000 0.287 211 I C 0.716 176.819 176.117 -0.024 0.000 1.090 211 I CA -0.088 61.188 61.300 -0.040 0.000 1.384 211 I CB 0.624 38.594 38.000 -0.050 0.000 1.420 211 I HN -0.009 nan 8.210 nan 0.000 0.575 212 D N 6.403 126.781 120.400 -0.037 0.000 2.402 212 D HA 0.108 4.703 4.640 -0.075 0.000 0.235 212 D C 1.071 177.365 176.300 -0.011 0.000 1.226 212 D CA 0.136 54.123 54.000 -0.023 0.000 0.918 212 D CB 0.540 41.323 40.800 -0.029 0.000 1.043 212 D HN 0.404 nan 8.370 nan 0.000 0.506 213 R N 2.277 122.779 120.500 0.002 0.000 2.115 213 R HA -0.130 4.165 4.340 -0.075 0.000 0.230 213 R C 1.464 177.767 176.300 0.005 0.000 1.111 213 R CA 0.741 56.849 56.100 0.013 0.000 0.976 213 R CB 0.128 30.438 30.300 0.016 0.000 0.870 213 R HN 0.340 nan 8.270 nan 0.000 0.445 214 E N 1.454 121.654 120.200 -0.001 0.000 2.110 214 E HA -0.182 4.123 4.350 -0.075 0.000 0.193 214 E C 1.714 178.311 176.600 -0.005 0.000 0.988 214 E CA 0.900 57.298 56.400 -0.003 0.000 0.804 214 E CB -0.176 29.520 29.700 -0.005 0.000 0.745 214 E HN 0.157 nan 8.360 nan 0.000 0.458 215 L N 0.006 121.224 121.223 -0.008 0.000 2.056 215 L HA -0.039 4.257 4.340 -0.075 0.000 0.207 215 L C 2.115 178.982 176.870 -0.004 0.000 1.078 215 L CA 1.545 56.379 54.840 -0.011 0.000 0.749 215 L CB -0.487 41.560 42.059 -0.021 0.000 0.901 215 L HN 0.257 nan 8.230 nan 0.000 0.433 216 L N -0.730 120.496 121.223 0.004 0.000 2.046 216 L HA -0.202 4.094 4.340 -0.075 0.000 0.208 216 L C 2.805 179.681 176.870 0.010 0.000 1.077 216 L CA 1.544 56.396 54.840 0.019 0.000 0.747 216 L CB -0.676 41.410 42.059 0.045 0.000 0.896 216 L HN 0.306 nan 8.230 nan 0.000 0.432 217 R N 0.415 120.917 120.500 0.003 0.000 2.083 217 R HA -0.193 4.102 4.340 -0.075 0.000 0.237 217 R C 2.557 178.853 176.300 -0.006 0.000 1.137 217 R CA 2.095 58.192 56.100 -0.004 0.000 0.951 217 R CB -0.233 30.064 30.300 -0.006 0.000 0.851 217 R HN 0.483 nan 8.270 nan 0.000 0.434 218 S N -0.355 115.342 115.700 -0.005 0.000 2.428 218 S HA -0.096 4.329 4.470 -0.075 0.000 0.230 218 S C 1.748 176.345 174.600 -0.005 0.000 1.014 218 S CA 1.057 59.253 58.200 -0.006 0.000 0.957 218 S CB 0.027 63.223 63.200 -0.007 0.000 0.784 218 S HN 0.326 nan 8.310 nan 0.000 0.499 219 E N 1.204 121.402 120.200 -0.003 0.000 2.274 219 E HA 0.164 4.469 4.350 -0.075 0.000 0.194 219 E C 1.440 178.040 176.600 -0.000 0.000 0.996 219 E CA 0.697 57.096 56.400 -0.001 0.000 0.840 219 E CB -0.276 29.425 29.700 0.002 0.000 0.772 219 E HN 0.633 nan 8.360 nan 0.000 0.491 220 L N -0.416 120.806 121.223 -0.002 0.000 2.693 220 L HA 0.176 4.471 4.340 -0.075 0.000 0.235 220 L C 0.045 176.908 176.870 -0.011 0.000 1.127 220 L CA 0.141 54.977 54.840 -0.006 0.000 0.914 220 L CB 0.211 42.266 42.059 -0.007 0.000 1.193 220 L HN 0.046 nan 8.230 nan 0.000 0.502 221 D N 0.944 121.338 120.400 -0.010 0.000 2.705 221 D HA -0.192 4.403 4.640 -0.075 0.000 0.240 221 D C -0.003 176.287 176.300 -0.017 0.000 1.137 221 D CA 0.650 54.643 54.000 -0.012 0.000 0.677 221 D CB -0.170 40.623 40.800 -0.011 0.000 1.049 221 D HN -0.025 nan 8.370 nan 0.000 0.427 222 M N -0.524 119.064 119.600 -0.019 0.000 2.654 222 M HA 0.291 4.727 4.480 -0.075 0.000 0.310 222 M C 1.833 178.121 176.300 -0.020 0.000 1.211 222 M CA -0.488 54.797 55.300 -0.025 0.000 0.947 222 M CB 1.089 33.670 32.600 -0.031 0.000 1.647 222 M HN -0.041 nan 8.290 nan 0.000 0.481 223 T N 0.284 114.824 114.554 -0.022 0.000 2.942 223 T HA 0.035 4.340 4.350 -0.075 0.000 0.265 223 T C 0.725 175.417 174.700 -0.014 0.000 1.062 223 T CA 1.076 63.166 62.100 -0.016 0.000 1.139 223 T CB 0.122 68.981 68.868 -0.015 0.000 0.883 223 T HN 0.840 nan 8.240 nan 0.000 0.468 224 S N 0.122 115.811 115.700 -0.017 0.000 2.694 224 S HA 0.620 5.045 4.470 -0.075 0.000 0.273 224 S C -1.550 173.041 174.600 -0.016 0.000 1.180 224 S CA -1.295 56.897 58.200 -0.013 0.000 0.864 224 S CB 0.991 64.186 63.200 -0.009 0.000 1.198 224 S HN 0.394 nan 8.310 nan 0.000 0.499 225 I N -0.484 120.079 120.570 -0.011 0.000 2.740 225 I HA 0.725 4.850 4.170 -0.075 0.000 0.303 225 I C 0.108 176.221 176.117 -0.006 0.000 1.044 225 I CA -0.877 60.417 61.300 -0.010 0.000 1.064 225 I CB 2.021 40.019 38.000 -0.004 0.000 1.249 225 I HN 0.848 nan 8.210 nan 0.000 0.433 226 T N 1.632 116.182 114.554 -0.006 0.000 2.937 226 T HA 0.133 4.438 4.350 -0.075 0.000 0.316 226 T C 0.668 175.371 174.700 0.006 0.000 1.079 226 T CA -0.314 61.787 62.100 0.001 0.000 1.131 226 T CB 1.093 69.963 68.868 0.004 0.000 1.000 226 T HN 0.571 nan 8.240 nan 0.000 0.549 227 L N 1.176 122.405 121.223 0.010 0.000 2.307 227 L HA 0.318 4.613 4.340 -0.075 0.000 0.211 227 L C 1.212 178.089 176.870 0.012 0.000 1.099 227 L CA 1.010 55.856 54.840 0.010 0.000 0.816 227 L CB -0.365 41.700 42.059 0.010 0.000 0.952 227 L HN 0.822 nan 8.230 nan 0.000 0.455 228 N N -1.472 117.238 118.700 0.016 0.000 2.371 228 N HA 0.052 4.747 4.740 -0.075 0.000 0.291 228 N C 0.802 176.325 175.510 0.021 0.000 1.053 228 N CA 0.633 53.694 53.050 0.018 0.000 0.870 228 N CB 1.815 40.313 38.487 0.019 0.000 1.503 228 N HN -0.007 nan 8.380 nan 0.000 0.485 229 S N 3.667 119.378 115.700 0.019 0.000 2.382 229 S HA -0.082 4.344 4.470 -0.075 0.000 0.228 229 S C 1.931 176.548 174.600 0.028 0.000 1.027 229 S CA 0.629 58.841 58.200 0.020 0.000 0.991 229 S CB -0.299 62.910 63.200 0.015 0.000 0.823 229 S HN 0.647 nan 8.310 nan 0.000 0.469 230 I N 2.316 122.904 120.570 0.030 0.000 2.252 230 I HA -0.151 3.974 4.170 -0.075 0.000 0.245 230 I C 2.639 178.784 176.117 0.047 0.000 1.102 230 I CA 1.895 63.218 61.300 0.038 0.000 1.385 230 I CB -0.531 37.488 38.000 0.032 0.000 1.064 230 I HN 0.366 nan 8.210 nan 0.000 0.414 231 D N 1.128 121.553 120.400 0.041 0.000 2.117 231 D HA -0.165 4.431 4.640 -0.075 0.000 0.198 231 D C 2.182 178.520 176.300 0.063 0.000 0.982 231 D CA 1.445 55.473 54.000 0.048 0.000 0.828 231 D CB 0.069 40.893 40.800 0.039 0.000 0.967 231 D HN 0.260 nan 8.370 nan 0.000 0.464 232 A N 0.205 123.058 122.820 0.054 0.000 1.978 232 A HA -0.118 4.158 4.320 -0.075 0.000 0.220 232 A C 2.189 179.821 177.584 0.080 0.000 1.170 232 A CA 1.027 53.099 52.037 0.058 0.000 0.636 232 A CB -0.563 18.456 19.000 0.031 0.000 0.810 232 A HN 0.367 nan 8.150 nan 0.000 0.448 233 I N 0.230 120.848 120.570 0.080 0.000 2.480 233 I HA -0.094 4.031 4.170 -0.075 0.000 0.251 233 I C 2.430 178.649 176.117 0.171 0.000 1.124 233 I CA 1.938 63.304 61.300 0.110 0.000 1.444 233 I CB -0.944 37.107 38.000 0.086 0.000 1.098 233 I HN 0.484 nan 8.210 nan 0.000 0.428 234 S N 0.051 115.829 115.700 0.129 0.000 2.517 234 S HA 0.047 4.472 4.470 -0.075 0.000 0.214 234 S C 0.606 175.248 174.600 0.071 0.000 0.991 234 S CA -0.480 57.783 58.200 0.105 0.000 0.906 234 S CB -0.311 62.932 63.200 0.071 0.000 0.789 234 S HN 0.498 nan 8.310 nan 0.000 0.513 235 E N 1.333 121.586 120.200 0.089 0.000 2.343 235 E HA 0.460 4.765 4.350 -0.075 0.000 0.269 235 E C 0.152 176.800 176.600 0.080 0.000 1.047 235 E CA -0.779 55.664 56.400 0.072 0.000 0.874 235 E CB 0.565 30.318 29.700 0.089 0.000 1.033 235 E HN -0.084 nan 8.360 nan 0.000 0.409 236 R N 2.448 122.919 120.500 -0.049 0.000 2.668 236 R HA 0.134 4.429 4.340 -0.075 0.000 0.435 236 R C -0.457 175.626 176.300 -0.361 0.000 1.059 236 R CA -0.229 55.690 56.100 -0.302 0.000 1.073 236 R CB 0.010 30.137 30.300 -0.289 0.000 1.401 236 R HN 0.639 nan 8.270 nan 0.000 0.590 237 D N 0.793 121.126 120.400 -0.111 0.000 2.116 237 D HA -0.200 4.396 4.640 -0.075 0.000 0.193 237 D C 1.635 177.901 176.300 -0.056 0.000 0.998 237 D CA 1.486 55.458 54.000 -0.047 0.000 0.836 237 D CB -0.243 40.590 40.800 0.054 0.000 0.951 237 D HN 0.355 nan 8.370 nan 0.000 0.449 238 F N -0.168 119.783 119.950 0.002 0.000 2.250 238 F HA -0.137 4.344 4.527 -0.076 0.000 0.301 238 F C 1.985 177.785 175.800 -0.000 0.000 1.077 238 F CA 0.566 58.567 58.000 0.002 0.000 1.348 238 F CB -0.964 38.038 39.000 0.004 0.000 1.040 238 F HN -0.145 nan 8.300 nan 0.000 0.509 239 V N 0.630 120.123 119.914 -0.701 0.000 2.283 239 V HA -0.206 3.869 4.120 -0.075 0.000 0.243 239 V C 2.567 178.539 176.094 -0.203 0.000 1.039 239 V CA 1.566 63.599 62.300 -0.445 0.000 1.016 239 V CB -0.585 30.892 31.823 -0.577 0.000 0.650 239 V HN 0.343 nan 8.190 nan 0.000 0.449 240 V N -0.118 119.678 119.914 -0.197 0.000 2.332 240 V HA -0.294 3.782 4.120 -0.075 0.000 0.248 240 V C 2.448 178.509 176.094 -0.056 0.000 1.055 240 V CA 2.138 64.373 62.300 -0.109 0.000 1.038 240 V CB -0.664 31.102 31.823 -0.095 0.000 0.651 240 V HN 0.599 nan 8.190 nan 0.000 0.450 241 E N -0.419 119.761 120.200 -0.034 0.000 2.038 241 E HA -0.259 4.047 4.350 -0.075 0.000 0.195 241 E C 2.177 178.783 176.600 0.010 0.000 1.000 241 E CA 1.559 57.961 56.400 0.003 0.000 0.803 241 E CB -0.242 29.478 29.700 0.033 0.000 0.750 241 E HN 0.398 nan 8.360 nan 0.000 0.448 242 L N 1.255 122.489 121.223 0.019 0.000 2.012 242 L HA -0.187 4.108 4.340 -0.075 0.000 0.210 242 L C 2.127 179.002 176.870 0.008 0.000 1.073 242 L CA 1.598 56.454 54.840 0.026 0.000 0.748 242 L CB -0.387 41.702 42.059 0.049 0.000 0.891 242 L HN 0.139 nan 8.230 nan 0.000 0.431 243 I N -1.531 119.033 120.570 -0.010 0.000 2.315 243 I HA -0.277 3.849 4.170 -0.075 0.000 0.248 243 I C 2.642 178.758 176.117 -0.002 0.000 1.117 243 I CA 1.333 62.626 61.300 -0.011 0.000 1.404 243 I CB -0.496 37.484 38.000 -0.034 0.000 1.071 243 I HN 0.335 nan 8.210 nan 0.000 0.419 244 S N 0.645 116.342 115.700 -0.005 0.000 2.348 244 S HA -0.148 4.277 4.470 -0.075 0.000 0.221 244 S C 2.129 176.727 174.600 -0.003 0.000 1.033 244 S CA 1.509 59.711 58.200 0.004 0.000 1.010 244 S CB -0.252 62.949 63.200 0.000 0.000 0.891 244 S HN 0.224 nan 8.310 nan 0.000 0.442 245 V N 2.170 122.082 119.914 -0.003 0.000 2.343 245 V HA -0.153 3.922 4.120 -0.075 0.000 0.247 245 V C 2.848 178.931 176.094 -0.017 0.000 1.051 245 V CA 1.839 64.134 62.300 -0.009 0.000 1.036 245 V CB -1.335 30.491 31.823 0.005 0.000 0.654 245 V HN 0.622 nan 8.190 nan 0.000 0.451 246 A N -0.555 122.263 122.820 -0.004 0.000 1.972 246 A HA -0.210 4.065 4.320 -0.075 0.000 0.219 246 A C 2.377 179.954 177.584 -0.011 0.000 1.169 246 A CA 2.380 54.416 52.037 -0.002 0.000 0.635 246 A CB -0.820 18.186 19.000 0.010 0.000 0.810 246 A HN 0.518 nan 8.150 nan 0.000 0.446 247 T N 0.041 114.593 114.554 -0.003 0.000 2.737 247 T HA -0.066 4.239 4.350 -0.075 0.000 0.265 247 T C 1.834 176.496 174.700 -0.062 0.000 1.038 247 T CA 1.228 63.334 62.100 0.008 0.000 1.144 247 T CB -0.322 68.588 68.868 0.070 0.000 0.866 247 T HN 0.360 nan 8.240 nan 0.000 0.434 248 L N 0.587 121.745 121.223 -0.108 0.000 2.083 248 L HA 0.002 4.298 4.340 -0.075 0.000 0.209 248 L C 2.374 179.001 176.870 -0.406 0.000 1.083 248 L CA 1.094 55.787 54.840 -0.245 0.000 0.752 248 L CB -0.301 41.625 42.059 -0.221 0.000 0.899 248 L HN 0.301 nan 8.230 nan 0.000 0.433 249 L N -0.927 120.164 121.223 -0.221 0.000 2.017 249 L HA -0.268 4.028 4.340 -0.075 0.000 0.208 249 L C 2.610 179.438 176.870 -0.071 0.000 1.073 249 L CA 1.205 55.969 54.840 -0.128 0.000 0.745 249 L CB -0.090 41.955 42.059 -0.022 0.000 0.894 249 L HN 0.306 nan 8.230 nan 0.000 0.432 250 M N -0.696 118.870 119.600 -0.056 0.000 2.229 250 M HA -0.194 4.242 4.480 -0.075 0.000 0.264 250 M C 2.257 178.539 176.300 -0.029 0.000 1.063 250 M CA 1.350 56.637 55.300 -0.022 0.000 1.114 250 M CB -0.929 31.667 32.600 -0.006 0.000 1.387 250 M HN 0.230 nan 8.290 nan 0.000 0.420 251 I N -0.491 120.030 120.570 -0.082 0.000 2.179 251 I HA -0.299 3.826 4.170 -0.075 0.000 0.242 251 I C 2.297 178.429 176.117 0.025 0.000 1.088 251 I CA 1.650 62.909 61.300 -0.069 0.000 1.357 251 I CB -1.456 36.467 38.000 -0.129 0.000 1.051 251 I HN 0.422 nan 8.210 nan 0.000 0.409 252 H N 0.271 119.335 119.070 -0.011 0.000 2.352 252 H HA -0.135 4.374 4.556 -0.079 0.000 0.299 252 H C 2.334 177.669 175.328 0.011 0.000 1.097 252 H CA 0.929 56.982 56.048 0.008 0.000 1.311 252 H CB 0.022 29.791 29.762 0.011 0.000 1.377 252 H HN 0.237 nan 8.280 nan 0.000 0.504 253 L N 0.534 121.826 121.223 0.115 0.000 2.291 253 L HA -0.125 4.171 4.340 -0.075 0.000 0.214 253 L C 2.643 179.512 176.870 -0.001 0.000 1.120 253 L CA 0.967 55.821 54.840 0.024 0.000 0.799 253 L CB -0.313 41.749 42.059 0.005 0.000 0.925 253 L HN 0.368 nan 8.230 nan 0.000 0.446 254 S N -0.425 115.281 115.700 0.011 0.000 2.428 254 S HA -0.122 4.303 4.470 -0.075 0.000 0.230 254 S C 1.867 176.463 174.600 -0.007 0.000 1.014 254 S CA 0.502 58.697 58.200 -0.008 0.000 0.957 254 S CB -0.071 63.119 63.200 -0.016 0.000 0.784 254 S HN 0.396 nan 8.310 nan 0.000 0.499 255 K N 0.617 121.033 120.400 0.027 0.000 2.076 255 K HA 0.166 4.441 4.320 -0.075 0.000 0.204 255 K C 2.094 178.725 176.600 0.052 0.000 1.051 255 K CA 0.981 57.295 56.287 0.044 0.000 0.949 255 K CB -0.442 32.109 32.500 0.085 0.000 0.726 255 K HN 0.295 nan 8.250 nan 0.000 0.443 256 L N 1.458 122.692 121.223 0.019 0.000 2.083 256 L HA -0.121 4.174 4.340 -0.075 0.000 0.209 256 L C 2.198 179.007 176.870 -0.102 0.000 1.083 256 L CA 1.754 56.489 54.840 -0.174 0.000 0.752 256 L CB -0.624 41.170 42.059 -0.442 0.000 0.899 256 L HN 0.124 nan 8.230 nan 0.000 0.433 257 A N -0.666 122.109 122.820 -0.074 0.000 1.902 257 A HA -0.246 4.029 4.320 -0.075 0.000 0.217 257 A C 2.249 179.787 177.584 -0.076 0.000 1.181 257 A CA 1.679 53.678 52.037 -0.062 0.000 0.623 257 A CB -0.739 18.234 19.000 -0.046 0.000 0.818 257 A HN 0.573 nan 8.150 nan 0.000 0.443 258 E N 0.685 120.837 120.200 -0.079 0.000 2.051 258 E HA -0.198 4.107 4.350 -0.075 0.000 0.192 258 E C 1.446 177.918 176.600 -0.214 0.000 0.991 258 E CA 1.776 58.104 56.400 -0.120 0.000 0.799 258 E CB -0.278 29.366 29.700 -0.094 0.000 0.748 258 E HN 0.555 nan 8.360 nan 0.000 0.449 259 D N 0.211 120.494 120.400 -0.195 0.000 2.103 259 D HA -0.183 4.413 4.640 -0.075 0.000 0.190 259 D C 2.098 178.084 176.300 -0.524 0.000 0.997 259 D CA 1.416 55.174 54.000 -0.403 0.000 0.833 259 D CB -0.364 40.451 40.800 0.025 0.000 0.961 259 D HN 0.278 nan 8.370 nan 0.000 0.447 260 L N 0.519 121.655 121.223 -0.145 0.000 2.141 260 L HA -0.081 4.214 4.340 -0.075 0.000 0.209 260 L C 2.600 179.439 176.870 -0.051 0.000 1.094 260 L CA 0.468 55.313 54.840 0.009 0.000 0.763 260 L CB -0.293 41.819 42.059 0.089 0.000 0.908 260 L HN 0.029 nan 8.230 nan 0.000 0.437 261 I N 0.055 120.554 120.570 -0.118 0.000 2.226 261 I HA -0.301 3.824 4.170 -0.075 0.000 0.245 261 I C 2.417 178.427 176.117 -0.178 0.000 1.100 261 I CA 1.515 62.750 61.300 -0.108 0.000 1.374 261 I CB -0.099 37.840 38.000 -0.101 0.000 1.057 261 I HN 0.191 nan 8.210 nan 0.000 0.413 262 I N -0.091 120.273 120.570 -0.342 0.000 2.286 262 I HA -0.269 3.856 4.170 -0.075 0.000 0.245 262 I C 2.291 178.067 176.117 -0.568 0.000 1.104 262 I CA 1.521 62.485 61.300 -0.559 0.000 1.397 262 I CB -0.334 37.177 38.000 -0.814 0.000 1.072 262 I HN 0.119 nan 8.210 nan 0.000 0.417 263 F N 0.751 120.436 119.950 -0.442 0.000 2.293 263 F HA -0.156 4.324 4.527 -0.078 0.000 0.300 263 F C 2.574 178.305 175.800 -0.115 0.000 1.086 263 F CA 0.730 58.580 58.000 -0.250 0.000 1.375 263 F CB -0.125 38.872 39.000 -0.006 0.000 1.045 263 F HN 0.171 nan 8.300 nan 0.000 0.516 264 S N -1.402 114.354 115.700 0.093 0.000 2.605 264 S HA 0.017 4.442 4.470 -0.075 0.000 0.217 264 S C 0.618 175.234 174.600 0.027 0.000 0.958 264 S CA -0.285 57.954 58.200 0.065 0.000 0.919 264 S CB -0.564 62.673 63.200 0.061 0.000 0.780 264 S HN 0.068 nan 8.310 nan 0.000 0.507 265 T N 1.514 116.073 114.554 0.009 0.000 2.868 265 T HA 0.223 4.529 4.350 -0.075 0.000 0.292 265 T C 1.331 176.056 174.700 0.042 0.000 1.028 265 T CA 0.166 62.283 62.100 0.028 0.000 1.059 265 T CB 0.822 69.722 68.868 0.053 0.000 0.991 265 T HN 0.328 nan 8.240 nan 0.000 0.531 266 T N 3.293 117.866 114.554 0.032 0.000 2.746 266 T HA -0.087 4.219 4.350 -0.075 0.000 0.267 266 T C 1.756 176.456 174.700 -0.001 0.000 1.039 266 T CA 1.465 63.572 62.100 0.012 0.000 1.142 266 T CB -0.232 68.641 68.868 0.008 0.000 0.866 266 T HN 0.622 nan 8.240 nan 0.000 0.444 267 E N 0.612 120.826 120.200 0.023 0.000 2.085 267 E HA -0.065 4.240 4.350 -0.075 0.000 0.194 267 E C 1.687 178.201 176.600 -0.144 0.000 0.994 267 E CA 1.215 57.597 56.400 -0.029 0.000 0.801 267 E CB -0.398 29.312 29.700 0.017 0.000 0.743 267 E HN 0.508 nan 8.360 nan 0.000 0.453 268 F N -0.751 119.041 119.950 -0.264 0.000 2.220 268 F HA 0.213 4.697 4.527 -0.071 0.000 0.290 268 F C 1.878 177.246 175.800 -0.720 0.000 1.080 268 F CA 1.044 58.687 58.000 -0.596 0.000 1.318 268 F CB -0.435 38.199 39.000 -0.609 0.000 1.063 268 F HN 0.152 nan 8.300 nan 0.000 0.498 269 G N -0.080 108.615 108.800 -0.175 0.000 2.283 269 G HA2 -0.324 3.591 3.960 -0.075 0.000 0.280 269 G HA3 -0.324 3.591 3.960 -0.075 0.000 0.280 269 G C 0.627 175.530 174.900 0.005 0.000 1.029 269 G CA 0.598 45.647 45.100 -0.085 0.000 0.840 269 G HN 0.270 nan 8.290 nan 0.000 0.505 270 F N -0.853 119.104 119.950 0.011 0.000 2.473 270 F HA 0.369 4.849 4.527 -0.078 0.000 0.294 270 F C 1.453 177.148 175.800 -0.175 0.000 1.103 270 F CA -0.406 57.507 58.000 -0.145 0.000 1.442 270 F CB 0.116 38.922 39.000 -0.323 0.000 1.097 270 F HN 0.130 nan 8.300 nan 0.000 0.547 271 V N -0.567 119.413 119.914 0.110 0.000 2.876 271 V HA 0.522 4.597 4.120 -0.075 0.000 0.312 271 V C -0.430 175.700 176.094 0.060 0.000 1.085 271 V CA -0.675 61.661 62.300 0.061 0.000 0.945 271 V CB 2.310 34.222 31.823 0.150 0.000 1.017 271 V HN -0.053 nan 8.190 nan 0.000 0.428 272 T N 4.769 119.350 114.554 0.045 0.000 2.879 272 T HA 0.602 4.907 4.350 -0.075 0.000 0.290 272 T C -0.557 174.181 174.700 0.065 0.000 0.993 272 T CA -0.363 61.766 62.100 0.048 0.000 0.975 272 T CB 1.118 70.004 68.868 0.030 0.000 0.981 272 T HN 0.357 nan 8.240 nan 0.000 0.439 273 L N 2.573 123.842 121.223 0.075 0.000 2.399 273 L HA 0.514 4.809 4.340 -0.075 0.000 0.266 273 L C 1.252 178.185 176.870 0.104 0.000 1.114 273 L CA -0.816 54.085 54.840 0.102 0.000 0.804 273 L CB 1.020 43.148 42.059 0.114 0.000 1.146 273 L HN 0.731 nan 8.230 nan 0.000 0.451 274 S N -0.365 115.422 115.700 0.145 0.000 2.600 274 S HA 0.046 4.471 4.470 -0.075 0.000 0.265 274 S C 0.637 175.285 174.600 0.079 0.000 1.325 274 S CA -0.667 57.602 58.200 0.115 0.000 1.002 274 S CB 0.887 64.177 63.200 0.151 0.000 0.921 274 S HN 0.617 nan 8.310 nan 0.000 0.554 275 D N 1.319 121.733 120.400 0.024 0.000 2.218 275 D HA -0.061 4.534 4.640 -0.075 0.000 0.204 275 D C 2.103 178.356 176.300 -0.079 0.000 0.976 275 D CA 1.483 55.475 54.000 -0.014 0.000 0.853 275 D CB -0.643 40.145 40.800 -0.020 0.000 0.939 275 D HN 0.718 nan 8.370 nan 0.000 0.481 276 A N 0.175 122.898 122.820 -0.161 0.000 1.972 276 A HA -0.170 4.105 4.320 -0.075 0.000 0.219 276 A C 1.133 178.346 177.584 -0.618 0.000 1.169 276 A CA 1.004 52.780 52.037 -0.434 0.000 0.635 276 A CB -0.603 18.014 19.000 -0.638 0.000 0.810 276 A HN 0.295 nan 8.150 nan 0.000 0.446 277 Y N 0.067 120.372 120.300 0.009 0.000 2.720 277 Y HA 0.359 4.873 4.550 -0.059 0.000 0.277 277 Y C 0.714 176.618 175.900 0.008 0.000 1.144 277 Y CA 0.119 58.224 58.100 0.008 0.000 1.221 277 Y CB 0.227 38.694 38.460 0.011 0.000 1.163 277 Y HN 0.323 nan 8.280 nan 0.000 0.537 278 S N -1.653 114.087 115.700 0.066 0.000 2.607 278 S HA 0.738 5.164 4.470 -0.075 0.000 0.273 278 S C -0.686 173.923 174.600 0.015 0.000 1.148 278 S CA -0.748 57.483 58.200 0.052 0.000 0.833 278 S CB 2.335 65.570 63.200 0.059 0.000 1.130 278 S HN -0.080 nan 8.310 nan 0.000 0.470 279 T N 0.946 115.509 114.554 0.015 0.000 2.863 279 T HA 0.826 5.131 4.350 -0.075 0.000 0.285 279 T C 0.319 175.023 174.700 0.006 0.000 1.009 279 T CA -0.336 61.766 62.100 0.004 0.000 0.989 279 T CB 1.467 70.337 68.868 0.004 0.000 1.004 279 T HN 1.082 nan 8.240 nan 0.000 0.455 280 G N 0.451 109.252 108.800 0.002 0.000 3.175 280 G HA2 0.711 4.626 3.960 -0.075 0.000 0.255 280 G HA3 0.711 4.626 3.960 -0.075 0.000 0.255 280 G C -1.199 173.702 174.900 0.001 0.000 1.352 280 G CA -0.650 44.452 45.100 0.003 0.000 1.037 280 G HN 0.733 nan 8.290 nan 0.000 0.556 281 S N -1.794 113.907 115.700 0.002 0.000 2.548 281 S HA 0.458 4.883 4.470 -0.075 0.000 0.276 281 S C 1.170 175.770 174.600 0.000 0.000 1.129 281 S CA 0.313 58.514 58.200 0.001 0.000 0.931 281 S CB 1.645 64.846 63.200 0.002 0.000 1.068 281 S HN 1.128 nan 8.310 nan 0.000 0.480 282 S N 4.643 120.343 115.700 -0.000 0.000 2.428 282 S HA -0.018 4.407 4.470 -0.075 0.000 0.230 282 S C 1.570 176.170 174.600 -0.000 0.000 1.014 282 S CA 0.455 58.654 58.200 -0.001 0.000 0.957 282 S CB -0.325 62.874 63.200 -0.001 0.000 0.784 282 S HN 0.630 nan 8.310 nan 0.000 0.499 283 L N 0.462 121.685 121.223 0.000 0.000 2.162 283 L HA 0.302 4.597 4.340 -0.075 0.000 0.205 283 L C 0.588 177.459 176.870 0.001 0.000 1.086 283 L CA 0.845 55.685 54.840 0.000 0.000 0.778 283 L CB -1.181 40.878 42.059 0.000 0.000 0.928 283 L HN 0.357 nan 8.230 nan 0.000 0.446 284 L N 1.326 122.549 121.223 0.001 0.000 2.504 284 L HA 0.286 4.581 4.340 -0.075 0.000 0.249 284 L C -1.452 175.420 176.870 0.003 0.000 1.120 284 L CA -1.247 53.594 54.840 0.002 0.000 0.997 284 L CB 0.404 42.465 42.059 0.003 0.000 1.349 284 L HN -0.066 nan 8.230 nan 0.000 0.439 285 P HA -0.150 nan 4.420 nan 0.000 0.223 285 P C 1.363 178.665 177.300 0.004 0.000 1.144 285 P CA 0.923 64.025 63.100 0.003 0.000 0.783 285 P CB 0.507 32.209 31.700 0.002 0.000 0.771 286 Q N -0.844 118.958 119.800 0.004 0.000 2.331 286 Q HA 0.032 4.327 4.340 -0.075 0.000 0.203 286 Q C 0.478 176.483 176.000 0.007 0.000 0.944 286 Q CA 0.727 56.533 55.803 0.005 0.000 0.892 286 Q CB -0.278 28.463 28.738 0.004 0.000 0.983 286 Q HN 0.069 nan 8.270 nan 0.000 0.482 287 K N 1.626 122.030 120.400 0.007 0.000 2.402 287 K HA 0.048 4.324 4.320 -0.075 0.000 0.285 287 K C -0.489 176.118 176.600 0.011 0.000 1.054 287 K CA 0.250 56.542 56.287 0.008 0.000 1.001 287 K CB 0.460 32.963 32.500 0.006 0.000 0.946 287 K HN -0.145 nan 8.250 nan 0.000 0.473 288 K N 3.452 123.861 120.400 0.014 0.000 2.592 288 K HA 0.214 4.489 4.320 -0.075 0.000 0.212 288 K C -0.764 175.848 176.600 0.021 0.000 1.013 288 K CA -0.635 55.663 56.287 0.019 0.000 1.034 288 K CB 0.752 33.267 32.500 0.025 0.000 1.292 288 K HN 0.419 nan 8.250 nan 0.000 0.521 289 N N 3.571 122.282 118.700 0.018 0.000 2.452 289 N HA 0.077 4.772 4.740 -0.075 0.000 0.266 289 N C -2.057 173.469 175.510 0.027 0.000 1.175 289 N CA -1.211 51.849 53.050 0.017 0.000 0.945 289 N CB 0.796 39.291 38.487 0.013 0.000 1.063 289 N HN 0.192 nan 8.380 nan 0.000 0.472 290 P HA 0.100 nan 4.420 nan 0.000 0.237 290 P C -0.252 177.069 177.300 0.035 0.000 1.723 290 P CA -0.175 62.946 63.100 0.035 0.000 0.882 290 P CB 0.210 31.921 31.700 0.018 0.000 1.810 291 D N 1.034 121.457 120.400 0.039 0.000 2.154 291 D HA -0.215 4.380 4.640 -0.075 0.000 0.190 291 D C 2.201 178.530 176.300 0.047 0.000 1.003 291 D CA 2.374 56.396 54.000 0.036 0.000 0.849 291 D CB -0.672 40.148 40.800 0.033 0.000 0.942 291 D HN 0.318 nan 8.370 nan 0.000 0.446 292 S N 0.275 116.025 115.700 0.082 0.000 2.359 292 S HA -0.164 4.261 4.470 -0.075 0.000 0.224 292 S C 2.243 176.869 174.600 0.043 0.000 1.035 292 S CA 0.908 59.166 58.200 0.097 0.000 1.018 292 S CB -0.862 62.457 63.200 0.199 0.000 0.876 292 S HN 0.298 nan 8.310 nan 0.000 0.448 293 L N 1.322 122.560 121.223 0.026 0.000 2.083 293 L HA -0.076 4.219 4.340 -0.075 0.000 0.209 293 L C 2.906 179.773 176.870 -0.006 0.000 1.083 293 L CA 1.636 56.474 54.840 -0.004 0.000 0.752 293 L CB -0.707 41.346 42.059 -0.010 0.000 0.899 293 L HN 0.413 nan 8.230 nan 0.000 0.433 294 E N -0.012 120.189 120.200 0.002 0.000 2.150 294 E HA -0.229 4.077 4.350 -0.075 0.000 0.193 294 E C 2.119 178.721 176.600 0.003 0.000 0.985 294 E CA 0.809 57.208 56.400 -0.002 0.000 0.814 294 E CB -0.061 29.640 29.700 0.002 0.000 0.752 294 E HN 0.245 nan 8.360 nan 0.000 0.466 295 L N 1.013 122.243 121.223 0.012 0.000 2.027 295 L HA -0.134 4.161 4.340 -0.075 0.000 0.206 295 L C 2.064 178.939 176.870 0.009 0.000 1.074 295 L CA 1.465 56.314 54.840 0.014 0.000 0.745 295 L CB -0.174 41.900 42.059 0.025 0.000 0.898 295 L HN 0.117 nan 8.230 nan 0.000 0.433 296 I N -0.917 119.655 120.570 0.003 0.000 2.286 296 I HA -0.312 3.813 4.170 -0.075 0.000 0.248 296 I C 2.675 178.789 176.117 -0.007 0.000 1.115 296 I CA 1.242 62.539 61.300 -0.005 0.000 1.392 296 I CB -0.370 37.619 38.000 -0.019 0.000 1.065 296 I HN 0.304 nan 8.210 nan 0.000 0.418 297 R N 1.066 121.560 120.500 -0.010 0.000 2.096 297 R HA -0.167 4.128 4.340 -0.075 0.000 0.235 297 R C 2.482 178.778 176.300 -0.005 0.000 1.127 297 R CA 1.923 58.015 56.100 -0.013 0.000 0.968 297 R CB -0.094 30.194 30.300 -0.019 0.000 0.861 297 R HN 0.441 nan 8.270 nan 0.000 0.440 298 S N -0.087 115.614 115.700 0.001 0.000 2.461 298 S HA 0.023 4.448 4.470 -0.075 0.000 0.228 298 S C 1.515 176.125 174.600 0.018 0.000 1.005 298 S CA 0.298 58.504 58.200 0.009 0.000 0.942 298 S CB 0.134 63.340 63.200 0.010 0.000 0.776 298 S HN 0.165 nan 8.310 nan 0.000 0.514 299 K N 1.930 122.339 120.400 0.015 0.000 2.283 299 K HA 0.255 4.531 4.320 -0.075 0.000 0.202 299 K C 2.280 178.898 176.600 0.030 0.000 1.048 299 K CA 1.025 57.324 56.287 0.021 0.000 0.948 299 K CB -0.981 31.529 32.500 0.015 0.000 0.742 299 K HN 0.513 nan 8.250 nan 0.000 0.458 300 A N 1.066 123.900 122.820 0.023 0.000 1.940 300 A HA -0.091 4.185 4.320 -0.075 0.000 0.219 300 A C 2.445 180.072 177.584 0.073 0.000 1.176 300 A CA 2.060 54.114 52.037 0.027 0.000 0.631 300 A CB -0.948 18.049 19.000 -0.004 0.000 0.814 300 A HN 0.366 nan 8.150 nan 0.000 0.446 301 G N -0.875 107.969 108.800 0.072 0.000 2.394 301 G HA2 -0.198 3.717 3.960 -0.075 0.000 0.215 301 G HA3 -0.198 3.717 3.960 -0.075 0.000 0.215 301 G C 1.714 176.697 174.900 0.140 0.000 1.165 301 G CA 0.877 46.058 45.100 0.135 0.000 0.784 301 G HN 0.544 nan 8.290 nan 0.000 0.535 302 R N 0.023 120.568 120.500 0.075 0.000 2.083 302 R HA -0.075 4.220 4.340 -0.075 0.000 0.237 302 R C 2.558 178.883 176.300 0.040 0.000 1.137 302 R CA 1.743 57.870 56.100 0.044 0.000 0.951 302 R CB -0.413 29.904 30.300 0.028 0.000 0.851 302 R HN 0.260 nan 8.270 nan 0.000 0.434 303 V N 0.829 120.777 119.914 0.058 0.000 2.358 303 V HA -0.215 3.860 4.120 -0.075 0.000 0.246 303 V C 2.059 178.197 176.094 0.073 0.000 1.047 303 V CA 1.734 64.063 62.300 0.049 0.000 1.035 303 V CB -0.733 31.119 31.823 0.048 0.000 0.658 303 V HN 0.337 nan 8.190 nan 0.000 0.452 304 F N 2.421 122.355 119.950 -0.026 0.000 2.126 304 F HA -0.095 4.385 4.527 -0.077 0.000 0.299 304 F C 2.152 177.936 175.800 -0.026 0.000 1.096 304 F CA 1.552 59.535 58.000 -0.028 0.000 1.255 304 F CB -1.006 37.978 39.000 -0.027 0.000 0.997 304 F HN 0.138 nan 8.300 nan 0.000 0.479 305 G N 0.720 109.404 108.800 -0.193 0.000 2.440 305 G HA2 -0.265 3.650 3.960 -0.075 0.000 0.218 305 G HA3 -0.265 3.650 3.960 -0.075 0.000 0.218 305 G C 1.817 176.568 174.900 -0.249 0.000 1.154 305 G CA 0.681 45.613 45.100 -0.280 0.000 0.767 305 G HN 0.220 nan 8.290 nan 0.000 0.552 306 R N -0.059 120.350 120.500 -0.151 0.000 2.092 306 R HA 0.132 4.427 4.340 -0.075 0.000 0.231 306 R C 2.484 178.694 176.300 -0.150 0.000 1.119 306 R CA 0.293 56.321 56.100 -0.120 0.000 0.970 306 R CB -1.157 29.102 30.300 -0.068 0.000 0.864 306 R HN 0.397 nan 8.270 nan 0.000 0.440 307 L N 0.374 121.492 121.223 -0.175 0.000 1.994 307 L HA -0.143 4.153 4.340 -0.075 0.000 0.208 307 L C 2.238 178.974 176.870 -0.225 0.000 1.071 307 L CA 1.701 56.445 54.840 -0.160 0.000 0.745 307 L CB -0.545 41.455 42.059 -0.098 0.000 0.892 307 L HN 0.163 nan 8.230 nan 0.000 0.431 308 A N -0.313 122.265 122.820 -0.403 0.000 1.908 308 A HA -0.213 4.062 4.320 -0.075 0.000 0.218 308 A C 2.417 179.867 177.584 -0.223 0.000 1.181 308 A CA 1.815 53.630 52.037 -0.370 0.000 0.627 308 A CB -0.755 17.894 19.000 -0.584 0.000 0.818 308 A HN 0.568 nan 8.150 nan 0.000 0.445 309 A N 0.036 122.734 122.820 -0.204 0.000 1.877 309 A HA -0.067 4.209 4.320 -0.075 0.000 0.216 309 A C 1.982 179.495 177.584 -0.118 0.000 1.186 309 A CA 1.708 53.661 52.037 -0.140 0.000 0.620 309 A CB -0.482 18.445 19.000 -0.121 0.000 0.822 309 A HN 0.420 nan 8.150 nan 0.000 0.443 310 I N -0.171 120.326 120.570 -0.121 0.000 2.315 310 I HA -0.161 3.964 4.170 -0.075 0.000 0.248 310 I C 2.427 178.482 176.117 -0.104 0.000 1.117 310 I CA 0.970 62.203 61.300 -0.112 0.000 1.404 310 I CB -1.522 36.407 38.000 -0.119 0.000 1.071 310 I HN 0.261 nan 8.210 nan 0.000 0.419 311 L N -0.186 120.975 121.223 -0.103 0.000 2.083 311 L HA -0.194 4.101 4.340 -0.075 0.000 0.209 311 L C 2.646 179.471 176.870 -0.075 0.000 1.083 311 L CA 1.334 56.125 54.840 -0.083 0.000 0.752 311 L CB -0.375 41.639 42.059 -0.074 0.000 0.899 311 L HN 0.239 nan 8.230 nan 0.000 0.433 312 M N -1.107 118.443 119.600 -0.083 0.000 2.349 312 M HA -0.113 4.322 4.480 -0.075 0.000 0.266 312 M C 1.979 178.238 176.300 -0.068 0.000 1.076 312 M CA 1.105 56.363 55.300 -0.070 0.000 1.126 312 M CB 0.215 32.771 32.600 -0.073 0.000 1.392 312 M HN -0.006 nan 8.290 nan 0.000 0.440 313 V N 0.840 120.707 119.914 -0.078 0.000 2.358 313 V HA -0.243 3.832 4.120 -0.075 0.000 0.246 313 V C 2.192 178.239 176.094 -0.078 0.000 1.047 313 V CA 1.546 63.799 62.300 -0.079 0.000 1.035 313 V CB -0.504 31.267 31.823 -0.087 0.000 0.658 313 V HN 0.524 nan 8.190 nan 0.000 0.452 314 L N -0.595 120.581 121.223 -0.078 0.000 2.240 314 L HA 0.015 4.310 4.340 -0.075 0.000 0.211 314 L C 1.523 178.359 176.870 -0.056 0.000 1.106 314 L CA 0.565 55.362 54.840 -0.071 0.000 0.793 314 L CB -0.328 41.686 42.059 -0.074 0.000 0.927 314 L HN 0.157 nan 8.230 nan 0.000 0.446 315 K N 1.444 121.813 120.400 -0.052 0.000 2.447 315 K HA 0.017 4.293 4.320 -0.075 0.000 0.281 315 K C 0.892 177.470 176.600 -0.037 0.000 1.031 315 K CA 0.989 57.252 56.287 -0.040 0.000 1.019 315 K CB 0.442 32.919 32.500 -0.038 0.000 0.918 315 K HN 0.295 nan 8.250 nan 0.000 0.476 316 G N 3.854 112.636 108.800 -0.031 0.000 2.168 316 G HA2 -0.275 3.640 3.960 -0.075 0.000 0.263 316 G HA3 -0.275 3.640 3.960 -0.075 0.000 0.263 316 G C 0.315 175.197 174.900 -0.030 0.000 0.977 316 G CA 0.678 45.761 45.100 -0.027 0.000 0.659 316 G HN 0.766 nan 8.290 nan 0.000 0.533 317 I N -1.510 119.037 120.570 -0.037 0.000 2.498 317 I HA 0.758 4.883 4.170 -0.075 0.000 0.301 317 I C -1.513 174.584 176.117 -0.033 0.000 0.984 317 I CA -2.730 58.545 61.300 -0.041 0.000 1.204 317 I CB 0.764 38.728 38.000 -0.060 0.000 1.362 317 I HN -0.130 nan 8.210 nan 0.000 0.471 318 P HA 0.060 nan 4.420 nan 0.000 0.269 318 P C -0.324 176.969 177.300 -0.012 0.000 1.211 318 P CA -0.119 62.971 63.100 -0.017 0.000 0.781 318 P CB 0.356 32.048 31.700 -0.013 0.000 0.877 319 S N 0.418 116.118 115.700 0.000 0.000 3.811 319 S HA 0.272 4.697 4.470 -0.075 0.000 0.205 319 S C 0.372 174.987 174.600 0.026 0.000 1.445 319 S CA 0.084 58.291 58.200 0.011 0.000 1.097 319 S CB -0.923 62.285 63.200 0.013 0.000 1.350 319 S HN 0.634 nan 8.310 nan 0.000 0.471 320 T N 0.004 114.575 114.554 0.029 0.000 2.665 320 T HA 0.527 4.832 4.350 -0.075 0.000 0.303 320 T C -1.513 173.238 174.700 0.085 0.000 1.334 320 T CA -0.723 61.418 62.100 0.068 0.000 1.011 320 T CB 0.395 69.302 68.868 0.064 0.000 1.573 320 T HN 0.163 nan 8.240 nan 0.000 0.492 321 F N 2.597 122.548 119.950 0.001 0.000 2.399 321 F HA 0.641 5.123 4.527 -0.075 0.000 0.342 321 F C 0.266 176.064 175.800 -0.003 0.000 1.106 321 F CA 0.506 58.507 58.000 0.000 0.000 1.196 321 F CB 0.789 39.789 39.000 0.001 0.000 1.163 321 F HN 0.698 nan 8.300 nan 0.000 0.547 322 S N 4.601 119.714 115.700 -0.978 0.000 2.587 322 S HA 0.332 4.757 4.470 -0.075 0.000 0.269 322 S C -0.062 174.069 174.600 -0.781 0.000 1.154 322 S CA -1.044 56.794 58.200 -0.603 0.000 0.824 322 S CB 1.737 64.776 63.200 -0.269 0.000 1.118 322 S HN 0.579 nan 8.310 nan 0.000 0.462 323 K N 0.864 121.037 120.400 -0.379 0.000 2.280 323 K HA -0.104 4.171 4.320 -0.075 0.000 0.202 323 K C 0.876 177.346 176.600 -0.216 0.000 1.047 323 K CA 1.752 57.892 56.287 -0.246 0.000 0.942 323 K CB -0.755 31.688 32.500 -0.097 0.000 0.739 323 K HN 0.700 nan 8.250 nan 0.000 0.457 324 D N 1.116 121.389 120.400 -0.213 0.000 2.133 324 D HA -0.197 4.398 4.640 -0.075 0.000 0.192 324 D C 1.625 177.829 176.300 -0.159 0.000 1.001 324 D CA 0.827 54.733 54.000 -0.156 0.000 0.844 324 D CB -0.238 40.476 40.800 -0.142 0.000 0.944 324 D HN -0.016 nan 8.370 nan 0.000 0.447 325 L N 0.766 121.855 121.223 -0.223 0.000 2.263 325 L HA -0.189 4.106 4.340 -0.075 0.000 0.216 325 L C 2.026 178.842 176.870 -0.091 0.000 1.111 325 L CA 1.464 56.203 54.840 -0.168 0.000 0.773 325 L CB -0.903 41.025 42.059 -0.218 0.000 0.906 325 L HN 0.191 nan 8.230 nan 0.000 0.439 326 Q N -0.892 118.859 119.800 -0.081 0.000 2.437 326 Q HA -0.154 4.141 4.340 -0.075 0.000 0.210 326 Q C 1.512 177.497 176.000 -0.024 0.000 0.972 326 Q CA 0.503 56.295 55.803 -0.018 0.000 0.903 326 Q CB -0.022 28.716 28.738 -0.001 0.000 0.967 326 Q HN 0.523 nan 8.270 nan 0.000 0.486 327 E N 1.176 121.347 120.200 -0.048 0.000 2.418 327 E HA -0.142 4.163 4.350 -0.075 0.000 0.197 327 E C 1.345 177.915 176.600 -0.049 0.000 1.026 327 E CA 0.862 57.234 56.400 -0.048 0.000 0.862 327 E CB 0.042 29.705 29.700 -0.061 0.000 0.799 327 E HN 0.544 nan 8.360 nan 0.000 0.518 328 D N 1.085 121.453 120.400 -0.053 0.000 2.144 328 D HA -0.192 4.403 4.640 -0.075 0.000 0.199 328 D C 1.608 177.889 176.300 -0.031 0.000 0.984 328 D CA 1.009 54.970 54.000 -0.065 0.000 0.834 328 D CB -0.306 40.440 40.800 -0.090 0.000 0.955 328 D HN 0.070 nan 8.370 nan 0.000 0.465 329 K N 0.430 120.829 120.400 -0.002 0.000 1.978 329 K HA -0.145 4.131 4.320 -0.075 0.000 0.214 329 K C 2.363 178.967 176.600 0.006 0.000 1.049 329 K CA 1.694 57.990 56.287 0.016 0.000 0.939 329 K CB -0.140 32.375 32.500 0.026 0.000 0.721 329 K HN 0.221 nan 8.250 nan 0.000 0.441 330 E N 0.221 120.419 120.200 -0.003 0.000 2.085 330 E HA -0.220 4.086 4.350 -0.075 0.000 0.194 330 E C 2.021 178.614 176.600 -0.012 0.000 0.994 330 E CA 1.083 57.480 56.400 -0.006 0.000 0.801 330 E CB -0.123 29.570 29.700 -0.011 0.000 0.743 330 E HN 0.355 nan 8.360 nan 0.000 0.453 331 A N 0.956 123.761 122.820 -0.025 0.000 1.845 331 A HA -0.159 4.116 4.320 -0.075 0.000 0.215 331 A C 2.449 180.018 177.584 -0.025 0.000 1.195 331 A CA 1.460 53.476 52.037 -0.034 0.000 0.616 331 A CB -0.937 18.029 19.000 -0.056 0.000 0.832 331 A HN 0.221 nan 8.150 nan 0.000 0.443 332 V N 0.121 120.022 119.914 -0.022 0.000 2.490 332 V HA -0.171 3.904 4.120 -0.075 0.000 0.250 332 V C 2.329 178.430 176.094 0.012 0.000 1.061 332 V CA 1.948 64.245 62.300 -0.006 0.000 1.064 332 V CB -0.416 31.409 31.823 0.003 0.000 0.670 332 V HN 0.553 nan 8.190 nan 0.000 0.461 333 L N -0.101 121.130 121.223 0.014 0.000 2.109 333 L HA -0.099 4.196 4.340 -0.075 0.000 0.207 333 L C 2.389 179.268 176.870 0.016 0.000 1.086 333 L CA 1.955 56.807 54.840 0.020 0.000 0.760 333 L CB -0.720 41.351 42.059 0.020 0.000 0.910 333 L HN 0.406 nan 8.230 nan 0.000 0.437 334 D N 0.006 120.411 120.400 0.008 0.000 2.144 334 D HA -0.148 4.448 4.640 -0.075 0.000 0.199 334 D C 2.092 178.397 176.300 0.009 0.000 0.984 334 D CA 0.935 54.939 54.000 0.006 0.000 0.834 334 D CB 0.216 41.015 40.800 -0.002 0.000 0.955 334 D HN 0.011 nan 8.370 nan 0.000 0.465 335 V N 0.397 120.316 119.914 0.007 0.000 2.307 335 V HA -0.202 3.873 4.120 -0.075 0.000 0.245 335 V C 2.740 178.847 176.094 0.021 0.000 1.045 335 V CA 1.651 63.958 62.300 0.011 0.000 1.024 335 V CB -0.501 31.325 31.823 0.005 0.000 0.651 335 V HN 0.348 nan 8.190 nan 0.000 0.449 336 V N -1.217 118.713 119.914 0.025 0.000 2.358 336 V HA -0.202 3.874 4.120 -0.075 0.000 0.246 336 V C 2.081 178.198 176.094 0.038 0.000 1.047 336 V CA 2.286 64.607 62.300 0.034 0.000 1.035 336 V CB -0.948 30.897 31.823 0.037 0.000 0.658 336 V HN 0.434 nan 8.190 nan 0.000 0.452 337 D N 0.810 121.229 120.400 0.032 0.000 2.117 337 D HA -0.102 4.493 4.640 -0.075 0.000 0.197 337 D C 2.345 178.663 176.300 0.030 0.000 0.987 337 D CA 2.126 56.146 54.000 0.032 0.000 0.829 337 D CB -0.620 40.195 40.800 0.025 0.000 0.961 337 D HN 0.541 nan 8.370 nan 0.000 0.460 338 T N 1.091 115.660 114.554 0.025 0.000 2.701 338 T HA -0.052 4.253 4.350 -0.075 0.000 0.263 338 T C 2.195 176.910 174.700 0.025 0.000 1.040 338 T CA 0.443 62.556 62.100 0.022 0.000 1.147 338 T CB -0.342 68.537 68.868 0.018 0.000 0.865 338 T HN 0.099 nan 8.240 nan 0.000 0.426 339 L N 0.694 121.936 121.223 0.030 0.000 2.012 339 L HA -0.179 4.116 4.340 -0.075 0.000 0.210 339 L C 2.922 179.822 176.870 0.050 0.000 1.073 339 L CA 1.462 56.323 54.840 0.036 0.000 0.748 339 L CB -1.072 41.011 42.059 0.040 0.000 0.891 339 L HN 0.334 nan 8.230 nan 0.000 0.431 340 T N -0.193 114.402 114.554 0.068 0.000 2.635 340 T HA -0.256 4.050 4.350 -0.075 0.000 0.267 340 T C 1.898 176.615 174.700 0.028 0.000 1.040 340 T CA 1.621 63.786 62.100 0.107 0.000 1.156 340 T CB -0.303 68.638 68.868 0.121 0.000 0.863 340 T HN 0.497 nan 8.240 nan 0.000 0.430 341 A N 0.801 123.630 122.820 0.014 0.000 1.858 341 A HA -0.050 4.225 4.320 -0.075 0.000 0.216 341 A C 2.615 180.187 177.584 -0.019 0.000 1.190 341 A CA 1.506 53.537 52.037 -0.010 0.000 0.617 341 A CB -1.157 17.848 19.000 0.008 0.000 0.827 341 A HN 0.329 nan 8.150 nan 0.000 0.443 342 V N 0.257 120.169 119.914 -0.003 0.000 2.380 342 V HA -0.295 3.780 4.120 -0.075 0.000 0.251 342 V C 2.587 178.665 176.094 -0.026 0.000 1.063 342 V CA 2.117 64.412 62.300 -0.008 0.000 1.055 342 V CB -0.737 31.087 31.823 0.001 0.000 0.657 342 V HN 0.561 nan 8.190 nan 0.000 0.455 343 L N -0.840 120.370 121.223 -0.022 0.000 2.056 343 L HA -0.222 4.074 4.340 -0.075 0.000 0.207 343 L C 2.666 179.489 176.870 -0.080 0.000 1.078 343 L CA 1.596 56.420 54.840 -0.028 0.000 0.749 343 L CB -0.611 41.465 42.059 0.029 0.000 0.901 343 L HN 0.371 nan 8.230 nan 0.000 0.433 344 Q N -0.621 119.091 119.800 -0.146 0.000 2.084 344 Q HA -0.172 4.123 4.340 -0.075 0.000 0.202 344 Q C 2.344 178.293 176.000 -0.086 0.000 0.978 344 Q CA 1.395 57.090 55.803 -0.179 0.000 0.844 344 Q CB -0.205 28.385 28.738 -0.248 0.000 0.898 344 Q HN 0.345 nan 8.270 nan 0.000 0.426 345 V N 0.932 120.814 119.914 -0.053 0.000 2.427 345 V HA -0.245 3.830 4.120 -0.075 0.000 0.248 345 V C 2.241 178.213 176.094 -0.202 0.000 1.051 345 V CA 1.702 63.978 62.300 -0.040 0.000 1.048 345 V CB -0.875 30.966 31.823 0.029 0.000 0.666 345 V HN 0.389 nan 8.190 nan 0.000 0.456 346 A N -0.309 122.427 122.820 -0.140 0.000 1.902 346 A HA -0.216 4.059 4.320 -0.075 0.000 0.217 346 A C 2.406 179.888 177.584 -0.169 0.000 1.181 346 A CA 2.462 54.407 52.037 -0.153 0.000 0.623 346 A CB -0.936 18.008 19.000 -0.094 0.000 0.818 346 A HN 0.485 nan 8.150 nan 0.000 0.443 347 T N -0.240 114.238 114.554 -0.128 0.000 2.708 347 T HA -0.053 4.253 4.350 -0.075 0.000 0.266 347 T C 1.973 176.597 174.700 -0.126 0.000 1.037 347 T CA 1.519 63.562 62.100 -0.095 0.000 1.146 347 T CB -0.643 68.193 68.868 -0.052 0.000 0.865 347 T HN 0.589 nan 8.240 nan 0.000 0.435 348 G N 0.867 109.556 108.800 -0.183 0.000 2.422 348 G HA2 -0.166 3.749 3.960 -0.075 0.000 0.218 348 G HA3 -0.166 3.749 3.960 -0.075 0.000 0.218 348 G C 1.707 176.332 174.900 -0.457 0.000 1.146 348 G CA 0.806 45.785 45.100 -0.203 0.000 0.769 348 G HN 0.428 nan 8.290 nan 0.000 0.547 349 V N 1.461 120.926 119.914 -0.748 0.000 2.295 349 V HA -0.135 3.940 4.120 -0.075 0.000 0.246 349 V C 2.776 178.768 176.094 -0.170 0.000 1.049 349 V CA 1.176 63.149 62.300 -0.544 0.000 1.024 349 V CB -0.283 31.285 31.823 -0.425 0.000 0.648 349 V HN 0.279 nan 8.190 nan 0.000 0.447 350 I N 1.097 121.593 120.570 -0.123 0.000 2.315 350 I HA -0.145 3.981 4.170 -0.075 0.000 0.248 350 I C 2.606 178.740 176.117 0.029 0.000 1.117 350 I CA 2.140 63.431 61.300 -0.014 0.000 1.404 350 I CB -1.293 36.688 38.000 -0.032 0.000 1.071 350 I HN 0.546 nan 8.210 nan 0.000 0.419 351 S N -0.283 115.418 115.700 0.003 0.000 2.470 351 S HA -0.061 4.364 4.470 -0.075 0.000 0.225 351 S C 1.671 176.310 174.600 0.065 0.000 1.006 351 S CA 0.982 59.206 58.200 0.040 0.000 0.934 351 S CB -0.629 62.591 63.200 0.032 0.000 0.778 351 S HN 0.560 nan 8.310 nan 0.000 0.517 352 T N 0.040 114.636 114.554 0.071 0.000 3.054 352 T HA 0.452 4.757 4.350 -0.075 0.000 0.255 352 T C 0.371 175.134 174.700 0.105 0.000 1.035 352 T CA -0.494 61.671 62.100 0.108 0.000 0.941 352 T CB -0.647 68.332 68.868 0.185 0.000 1.026 352 T HN 0.415 nan 8.240 nan 0.000 0.533 353 L N 0.265 121.546 121.223 0.096 0.000 2.453 353 L HA 0.608 4.903 4.340 -0.075 0.000 0.261 353 L C -0.176 176.745 176.870 0.084 0.000 1.179 353 L CA -0.598 54.303 54.840 0.101 0.000 0.813 353 L CB 0.316 42.448 42.059 0.123 0.000 1.110 353 L HN 0.150 nan 8.230 nan 0.000 0.466 354 Q N 2.530 122.362 119.800 0.054 0.000 2.340 354 Q HA 0.599 4.894 4.340 -0.075 0.000 0.268 354 Q C -1.008 174.961 176.000 -0.052 0.000 1.031 354 Q CA -0.829 54.979 55.803 0.009 0.000 0.804 354 Q CB 1.848 30.594 28.738 0.012 0.000 1.286 354 Q HN 0.851 nan 8.270 nan 0.000 0.448 355 I N 1.142 121.627 120.570 -0.142 0.000 2.499 355 I HA 0.464 4.589 4.170 -0.075 0.000 0.296 355 I C -0.675 175.329 176.117 -0.189 0.000 0.992 355 I CA -0.918 60.208 61.300 -0.290 0.000 1.297 355 I CB 1.276 38.904 38.000 -0.621 0.000 1.410 355 I HN 0.455 nan 8.210 nan 0.000 0.507 356 N N 5.351 123.957 118.700 -0.157 0.000 2.817 356 N HA 0.204 4.899 4.740 -0.075 0.000 0.234 356 N C 0.210 175.658 175.510 -0.103 0.000 1.066 356 N CA -0.431 52.571 53.050 -0.081 0.000 0.926 356 N CB 1.535 40.017 38.487 -0.009 0.000 1.176 356 N HN 0.647 nan 8.380 nan 0.000 0.506 357 K N 0.980 121.303 120.400 -0.129 0.000 2.113 357 K HA -0.207 4.068 4.320 -0.075 0.000 0.208 357 K C 0.987 177.540 176.600 -0.080 0.000 1.047 357 K CA 1.537 57.746 56.287 -0.130 0.000 0.928 357 K CB 0.296 32.735 32.500 -0.103 0.000 0.716 357 K HN 0.327 nan 8.250 nan 0.000 0.446 358 E N 0.671 120.845 120.200 -0.044 0.000 2.031 358 E HA -0.149 4.156 4.350 -0.075 0.000 0.193 358 E C 1.756 178.358 176.600 0.005 0.000 0.994 358 E CA 1.188 57.576 56.400 -0.019 0.000 0.800 358 E CB -0.144 29.550 29.700 -0.010 0.000 0.752 358 E HN 0.253 nan 8.360 nan 0.000 0.447 359 N N 0.023 118.746 118.700 0.038 0.000 2.166 359 N HA -0.139 4.556 4.740 -0.075 0.000 0.186 359 N C 1.812 177.433 175.510 0.185 0.000 1.019 359 N CA 1.244 54.368 53.050 0.123 0.000 0.856 359 N CB -0.161 38.428 38.487 0.171 0.000 0.993 359 N HN 0.245 nan 8.380 nan 0.000 0.426 360 M N 0.764 120.378 119.600 0.024 0.000 2.099 360 M HA -0.122 4.314 4.480 -0.075 0.000 0.262 360 M C 2.223 178.430 176.300 -0.156 0.000 1.067 360 M CA 1.284 56.414 55.300 -0.283 0.000 1.124 360 M CB -0.317 31.998 32.600 -0.476 0.000 1.353 360 M HN 0.143 nan 8.290 nan 0.000 0.410 361 E N 1.247 121.391 120.200 -0.094 0.000 2.031 361 E HA -0.206 4.100 4.350 -0.075 0.000 0.193 361 E C 1.501 178.087 176.600 -0.022 0.000 0.994 361 E CA 1.360 57.725 56.400 -0.058 0.000 0.800 361 E CB 0.065 29.738 29.700 -0.044 0.000 0.752 361 E HN 0.408 nan 8.360 nan 0.000 0.447 362 K N -0.285 120.116 120.400 0.001 0.000 2.574 362 K HA -0.021 4.254 4.320 -0.075 0.000 0.193 362 K C 1.375 177.993 176.600 0.029 0.000 1.035 362 K CA 0.435 56.730 56.287 0.013 0.000 0.982 362 K CB 0.232 32.741 32.500 0.016 0.000 0.795 362 K HN 0.127 nan 8.250 nan 0.000 0.491 363 A N 0.482 123.330 122.820 0.046 0.000 2.169 363 A HA 0.085 4.360 4.320 -0.075 0.000 0.210 363 A C 0.491 178.089 177.584 0.022 0.000 1.168 363 A CA -0.012 52.071 52.037 0.076 0.000 0.813 363 A CB 0.294 19.423 19.000 0.215 0.000 0.861 363 A HN 0.059 nan 8.150 nan 0.000 0.481 364 L N 3.006 124.225 121.223 -0.007 0.000 2.407 364 L HA 0.193 4.489 4.340 -0.075 0.000 0.282 364 L C 0.608 177.478 176.870 -0.001 0.000 1.110 364 L CA 0.692 55.521 54.840 -0.017 0.000 0.863 364 L CB -0.713 41.332 42.059 -0.022 0.000 1.207 364 L HN 0.408 nan 8.230 nan 0.000 0.454 365 T N 1.157 115.712 114.554 0.001 0.000 2.928 365 T HA 0.432 4.737 4.350 -0.075 0.000 0.284 365 T C -1.672 173.044 174.700 0.027 0.000 1.008 365 T CA -1.835 60.270 62.100 0.009 0.000 1.057 365 T CB 1.617 70.487 68.868 0.004 0.000 1.018 365 T HN 0.249 nan 8.240 nan 0.000 0.493 366 P HA -0.130 nan 4.420 nan 0.000 0.218 366 P C 1.519 178.874 177.300 0.091 0.000 1.148 366 P CA 1.041 64.189 63.100 0.079 0.000 0.822 366 P CB -0.012 31.710 31.700 0.037 0.000 0.784 367 E N -0.298 119.934 120.200 0.052 0.000 2.171 367 E HA -0.184 4.121 4.350 -0.075 0.000 0.197 367 E C 1.228 177.858 176.600 0.050 0.000 0.997 367 E CA 1.060 57.490 56.400 0.050 0.000 0.810 367 E CB -1.158 28.559 29.700 0.029 0.000 0.738 367 E HN 0.115 nan 8.360 nan 0.000 0.467 368 L N 0.765 122.010 121.223 0.037 0.000 2.633 368 L HA 0.011 4.306 4.340 -0.075 0.000 0.235 368 L C 1.820 178.714 176.870 0.040 0.000 1.163 368 L CA 1.099 55.954 54.840 0.026 0.000 0.859 368 L CB -0.440 41.619 42.059 0.000 0.000 0.973 368 L HN 0.271 nan 8.230 nan 0.000 0.451 369 L N -1.806 119.453 121.223 0.060 0.000 2.640 369 L HA 0.078 4.373 4.340 -0.075 0.000 0.230 369 L C 2.241 179.128 176.870 0.029 0.000 1.123 369 L CA 0.357 55.220 54.840 0.039 0.000 0.900 369 L CB -0.232 41.854 42.059 0.045 0.000 1.146 369 L HN 0.261 nan 8.230 nan 0.000 0.484 370 S N -1.041 114.696 115.700 0.061 0.000 2.402 370 S HA -0.215 4.210 4.470 -0.075 0.000 0.233 370 S C 1.856 176.488 174.600 0.054 0.000 1.030 370 S CA 1.944 60.185 58.200 0.068 0.000 1.003 370 S CB -0.706 62.537 63.200 0.072 0.000 0.813 370 S HN 0.373 nan 8.310 nan 0.000 0.477 371 T N 2.078 116.662 114.554 0.049 0.000 2.821 371 T HA -0.035 4.271 4.350 -0.075 0.000 0.267 371 T C 1.293 176.018 174.700 0.040 0.000 1.046 371 T CA 1.481 63.612 62.100 0.052 0.000 1.139 371 T CB -0.629 68.277 68.868 0.063 0.000 0.871 371 T HN 0.428 nan 8.240 nan 0.000 0.454 372 D N 0.859 121.270 120.400 0.018 0.000 2.218 372 D HA -0.013 4.583 4.640 -0.075 0.000 0.204 372 D C 1.855 178.152 176.300 -0.006 0.000 0.976 372 D CA 0.345 54.339 54.000 -0.010 0.000 0.853 372 D CB -0.346 40.423 40.800 -0.052 0.000 0.939 372 D HN 0.161 nan 8.370 nan 0.000 0.481 373 L N 0.436 121.651 121.223 -0.013 0.000 2.093 373 L HA -0.028 4.267 4.340 -0.075 0.000 0.208 373 L C 2.098 179.052 176.870 0.140 0.000 1.085 373 L CA 1.307 56.170 54.840 0.039 0.000 0.755 373 L CB -0.550 41.547 42.059 0.063 0.000 0.904 373 L HN -0.011 nan 8.230 nan 0.000 0.435 374 A N -1.160 121.718 122.820 0.098 0.000 1.930 374 A HA -0.114 4.161 4.320 -0.075 0.000 0.217 374 A C 2.041 179.659 177.584 0.056 0.000 1.175 374 A CA 1.287 53.373 52.037 0.081 0.000 0.627 374 A CB -0.610 18.426 19.000 0.061 0.000 0.815 374 A HN 0.340 nan 8.150 nan 0.000 0.443 375 L N -1.597 119.654 121.223 0.047 0.000 2.046 375 L HA -0.153 4.142 4.340 -0.075 0.000 0.208 375 L C 2.341 179.219 176.870 0.013 0.000 1.077 375 L CA 1.940 56.786 54.840 0.010 0.000 0.747 375 L CB -1.885 40.164 42.059 -0.016 0.000 0.896 375 L HN 0.634 nan 8.230 nan 0.000 0.432 376 Y N 0.533 120.792 120.300 -0.069 0.000 2.069 376 Y HA -0.324 4.181 4.550 -0.075 0.000 0.278 376 Y C 2.444 178.278 175.900 -0.111 0.000 1.175 376 Y CA 1.786 59.840 58.100 -0.076 0.000 1.134 376 Y CB -0.271 38.163 38.460 -0.043 0.000 0.965 376 Y HN 0.072 nan 8.280 nan 0.000 0.498 377 L N -0.807 120.432 121.223 0.027 0.000 2.131 377 L HA -0.183 4.112 4.340 -0.075 0.000 0.210 377 L C 2.437 179.222 176.870 -0.143 0.000 1.092 377 L CA 1.136 55.899 54.840 -0.130 0.000 0.759 377 L CB -1.051 40.936 42.059 -0.120 0.000 0.903 377 L HN 0.181 nan 8.230 nan 0.000 0.435 378 V N -0.632 119.225 119.914 -0.094 0.000 2.427 378 V HA -0.230 3.846 4.120 -0.075 0.000 0.248 378 V C 2.553 178.576 176.094 -0.118 0.000 1.051 378 V CA 1.469 63.717 62.300 -0.086 0.000 1.048 378 V CB -0.521 31.269 31.823 -0.054 0.000 0.666 378 V HN 0.422 nan 8.190 nan 0.000 0.456 379 R N 0.006 120.411 120.500 -0.159 0.000 2.189 379 R HA -0.034 4.262 4.340 -0.075 0.000 0.218 379 R C 1.732 177.903 176.300 -0.214 0.000 1.074 379 R CA 0.532 56.524 56.100 -0.179 0.000 0.991 379 R CB -0.122 30.056 30.300 -0.203 0.000 0.883 379 R HN 0.348 nan 8.270 nan 0.000 0.457 380 K N -0.235 120.005 120.400 -0.267 0.000 2.458 380 K HA 0.097 4.372 4.320 -0.075 0.000 0.194 380 K C 0.966 177.470 176.600 -0.159 0.000 1.024 380 K CA 0.651 56.787 56.287 -0.252 0.000 1.108 380 K CB 0.824 33.128 32.500 -0.326 0.000 0.846 380 K HN 0.408 nan 8.250 nan 0.000 0.518 381 G N 1.561 110.283 108.800 -0.130 0.000 2.175 381 G HA2 -0.278 3.637 3.960 -0.075 0.000 0.244 381 G HA3 -0.278 3.637 3.960 -0.075 0.000 0.244 381 G C 0.113 174.966 174.900 -0.079 0.000 0.982 381 G CA 0.247 45.292 45.100 -0.092 0.000 0.641 381 G HN 0.363 nan 8.290 nan 0.000 0.527 382 M N 1.627 121.172 119.600 -0.091 0.000 2.211 382 M HA 0.497 4.932 4.480 -0.075 0.000 0.356 382 M C -2.094 174.175 176.300 -0.052 0.000 1.216 382 M CA -1.683 53.574 55.300 -0.071 0.000 1.134 382 M CB 0.810 33.359 32.600 -0.086 0.000 1.564 382 M HN -0.071 nan 8.290 nan 0.000 0.463 383 P HA -0.037 nan 4.420 nan 0.000 0.265 383 P C 0.424 177.713 177.300 -0.019 0.000 1.193 383 P CA -0.027 63.058 63.100 -0.025 0.000 0.765 383 P CB 0.395 32.085 31.700 -0.018 0.000 0.823 384 I N 4.194 124.756 120.570 -0.014 0.000 2.145 384 I HA -0.271 3.854 4.170 -0.075 0.000 0.244 384 I C 2.244 178.363 176.117 0.003 0.000 1.075 384 I CA 1.777 63.074 61.300 -0.006 0.000 1.332 384 I CB -0.383 37.617 38.000 -0.002 0.000 1.033 384 I HN 0.339 nan 8.210 nan 0.000 0.410 385 R N -0.183 120.319 120.500 0.003 0.000 2.081 385 R HA -0.209 4.086 4.340 -0.075 0.000 0.235 385 R C 2.327 178.633 176.300 0.010 0.000 1.131 385 R CA 1.974 58.078 56.100 0.008 0.000 0.960 385 R CB -0.244 30.059 30.300 0.005 0.000 0.856 385 R HN 0.554 nan 8.270 nan 0.000 0.436 386 Q N -0.641 119.162 119.800 0.005 0.000 2.123 386 Q HA -0.061 4.234 4.340 -0.075 0.000 0.199 386 Q C 2.109 178.117 176.000 0.014 0.000 0.966 386 Q CA 1.298 57.106 55.803 0.008 0.000 0.845 386 Q CB -0.026 28.711 28.738 -0.001 0.000 0.907 386 Q HN 0.406 nan 8.270 nan 0.000 0.439 387 A N 1.106 123.929 122.820 0.005 0.000 1.940 387 A HA -0.259 4.017 4.320 -0.075 0.000 0.219 387 A C 1.945 179.554 177.584 0.042 0.000 1.176 387 A CA 1.475 53.517 52.037 0.010 0.000 0.631 387 A CB -0.374 18.623 19.000 -0.005 0.000 0.814 387 A HN 0.353 nan 8.150 nan 0.000 0.446 388 Q N -0.855 118.967 119.800 0.037 0.000 2.083 388 Q HA -0.109 4.186 4.340 -0.075 0.000 0.198 388 Q C 2.313 178.345 176.000 0.053 0.000 0.969 388 Q CA 1.808 57.639 55.803 0.046 0.000 0.838 388 Q CB -0.411 28.348 28.738 0.035 0.000 0.900 388 Q HN 0.887 nan 8.270 nan 0.000 0.436 389 T N -1.310 113.270 114.554 0.043 0.000 2.915 389 T HA 0.012 4.318 4.350 -0.075 0.000 0.269 389 T C 1.917 176.657 174.700 0.067 0.000 1.071 389 T CA 0.880 63.006 62.100 0.043 0.000 1.132 389 T CB -0.117 68.769 68.868 0.030 0.000 0.878 389 T HN 0.238 nan 8.240 nan 0.000 0.479 390 A N 2.557 125.428 122.820 0.085 0.000 1.855 390 A HA 0.009 4.284 4.320 -0.075 0.000 0.215 390 A C 2.779 180.467 177.584 0.173 0.000 1.191 390 A CA 2.134 54.253 52.037 0.137 0.000 0.613 390 A CB -1.245 17.841 19.000 0.144 0.000 0.829 390 A HN 0.732 nan 8.150 nan 0.000 0.442 391 S N -0.208 115.593 115.700 0.169 0.000 2.419 391 S HA -0.021 4.405 4.470 -0.075 0.000 0.235 391 S C 1.967 176.637 174.600 0.117 0.000 1.019 391 S CA 1.445 59.744 58.200 0.165 0.000 0.982 391 S CB -1.100 62.182 63.200 0.138 0.000 0.789 391 S HN 0.721 nan 8.310 nan 0.000 0.490 392 G N 1.609 110.467 108.800 0.096 0.000 2.422 392 G HA2 -0.120 3.796 3.960 -0.075 0.000 0.218 392 G HA3 -0.120 3.796 3.960 -0.075 0.000 0.218 392 G C 1.565 176.523 174.900 0.097 0.000 1.146 392 G CA 0.695 45.842 45.100 0.078 0.000 0.769 392 G HN 0.569 nan 8.290 nan 0.000 0.547 393 K N 0.377 120.838 120.400 0.102 0.000 2.103 393 K HA 0.130 4.405 4.320 -0.075 0.000 0.204 393 K C 2.938 179.604 176.600 0.110 0.000 1.052 393 K CA 0.809 57.167 56.287 0.118 0.000 0.945 393 K CB -0.134 32.428 32.500 0.103 0.000 0.722 393 K HN 0.259 nan 8.250 nan 0.000 0.443 394 A N 0.987 123.859 122.820 0.086 0.000 1.898 394 A HA -0.111 4.164 4.320 -0.075 0.000 0.216 394 A C 2.322 179.931 177.584 0.042 0.000 1.181 394 A CA 1.273 53.330 52.037 0.033 0.000 0.620 394 A CB -0.594 18.413 19.000 0.012 0.000 0.819 394 A HN 0.057 nan 8.150 nan 0.000 0.442 395 V N -0.587 119.374 119.914 0.077 0.000 2.343 395 V HA -0.272 3.803 4.120 -0.075 0.000 0.247 395 V C 2.496 178.644 176.094 0.091 0.000 1.051 395 V CA 2.526 64.872 62.300 0.077 0.000 1.036 395 V CB -0.931 30.945 31.823 0.087 0.000 0.654 395 V HN 0.816 nan 8.190 nan 0.000 0.451 396 H N -0.512 118.565 119.070 0.012 0.000 2.395 396 H HA -0.082 4.429 4.556 -0.075 0.000 0.299 396 H C 1.841 177.168 175.328 -0.003 0.000 1.070 396 H CA 1.668 57.719 56.048 0.006 0.000 1.356 396 H CB -0.079 29.690 29.762 0.011 0.000 1.401 396 H HN 0.282 nan 8.280 nan 0.000 0.524 397 L N 0.256 121.463 121.223 -0.027 0.000 2.083 397 L HA 0.002 4.298 4.340 -0.075 0.000 0.209 397 L C 2.364 179.169 176.870 -0.108 0.000 1.083 397 L CA 1.886 56.674 54.840 -0.088 0.000 0.752 397 L CB -1.192 40.847 42.059 -0.034 0.000 0.899 397 L HN 0.327 nan 8.230 nan 0.000 0.433 398 A N -0.734 122.039 122.820 -0.077 0.000 1.902 398 A HA -0.218 4.057 4.320 -0.075 0.000 0.217 398 A C 2.131 179.661 177.584 -0.089 0.000 1.181 398 A CA 1.781 53.770 52.037 -0.079 0.000 0.623 398 A CB -0.605 18.360 19.000 -0.058 0.000 0.818 398 A HN 0.607 nan 8.150 nan 0.000 0.443 399 E N -0.478 119.663 120.200 -0.098 0.000 2.012 399 E HA -0.195 4.111 4.350 -0.075 0.000 0.197 399 E C 2.312 178.834 176.600 -0.131 0.000 1.007 399 E CA 1.992 58.332 56.400 -0.100 0.000 0.816 399 E CB -0.602 29.044 29.700 -0.090 0.000 0.762 399 E HN 0.828 nan 8.360 nan 0.000 0.451 400 T N 0.263 114.688 114.554 -0.215 0.000 2.721 400 T HA -0.226 4.079 4.350 -0.075 0.000 0.268 400 T C 1.666 176.299 174.700 -0.112 0.000 1.038 400 T CA 1.498 63.488 62.100 -0.184 0.000 1.145 400 T CB -0.274 68.451 68.868 -0.238 0.000 0.858 400 T HN 0.029 nan 8.240 nan 0.000 0.459 401 K N 0.896 121.234 120.400 -0.104 0.000 2.487 401 K HA 0.284 4.560 4.320 -0.075 0.000 0.192 401 K C 1.524 178.084 176.600 -0.067 0.000 1.027 401 K CA 0.341 56.581 56.287 -0.078 0.000 1.054 401 K CB -0.211 32.243 32.500 -0.076 0.000 0.824 401 K HN 0.601 nan 8.250 nan 0.000 0.510 402 G N 2.588 111.347 108.800 -0.068 0.000 2.179 402 G HA2 -0.263 3.652 3.960 -0.075 0.000 0.257 402 G HA3 -0.263 3.652 3.960 -0.075 0.000 0.257 402 G C 0.141 175.008 174.900 -0.056 0.000 1.010 402 G CA 0.836 45.903 45.100 -0.055 0.000 0.736 402 G HN 0.478 nan 8.290 nan 0.000 0.513 403 I N -3.354 117.177 120.570 -0.065 0.000 3.206 403 I HA 0.912 5.037 4.170 -0.075 0.000 0.313 403 I C 0.550 176.623 176.117 -0.075 0.000 1.103 403 I CA -0.696 60.561 61.300 -0.071 0.000 0.985 403 I CB 1.762 39.713 38.000 -0.083 0.000 1.240 403 I HN 0.180 nan 8.210 nan 0.000 0.464 404 T N -0.773 113.729 114.554 -0.087 0.000 2.874 404 T HA 0.347 4.652 4.350 -0.075 0.000 0.281 404 T C 1.025 175.650 174.700 -0.126 0.000 0.994 404 T CA -0.534 61.513 62.100 -0.089 0.000 1.015 404 T CB 1.773 70.588 68.868 -0.089 0.000 1.028 404 T HN 0.744 nan 8.240 nan 0.000 0.523 405 I N 1.396 121.908 120.570 -0.097 0.000 2.286 405 I HA -0.203 3.922 4.170 -0.075 0.000 0.248 405 I C 2.137 178.041 176.117 -0.356 0.000 1.115 405 I CA 1.571 62.812 61.300 -0.099 0.000 1.392 405 I CB -0.208 37.835 38.000 0.073 0.000 1.065 405 I HN 0.796 nan 8.210 nan 0.000 0.418 406 N N 0.302 118.639 118.700 -0.606 0.000 2.571 406 N HA -0.156 4.540 4.740 -0.075 0.000 0.189 406 N C 0.652 175.735 175.510 -0.712 0.000 1.154 406 N CA 0.659 52.929 53.050 -1.300 0.000 0.907 406 N CB -0.680 37.232 38.487 -0.958 0.000 0.977 406 N HN 0.414 nan 8.380 nan 0.000 0.449 407 N N 0.288 118.743 118.700 -0.407 0.000 2.235 407 N HA 0.207 4.902 4.740 -0.075 0.000 0.209 407 N C -0.166 175.216 175.510 -0.213 0.000 1.122 407 N CA -0.109 52.784 53.050 -0.262 0.000 0.845 407 N CB 0.844 39.224 38.487 -0.179 0.000 1.004 407 N HN 0.266 nan 8.380 nan 0.000 0.499 408 L N 1.071 122.148 121.223 -0.243 0.000 2.417 408 L HA 0.178 4.473 4.340 -0.075 0.000 0.268 408 L C 1.189 177.959 176.870 -0.166 0.000 1.158 408 L CA -0.250 54.480 54.840 -0.182 0.000 0.819 408 L CB 0.788 42.736 42.059 -0.185 0.000 1.112 408 L HN 0.060 nan 8.230 nan 0.000 0.458 409 T N -0.988 113.491 114.554 -0.126 0.000 2.902 409 T HA 0.213 4.518 4.350 -0.075 0.000 0.280 409 T C 1.282 175.924 174.700 -0.096 0.000 0.992 409 T CA -0.929 61.113 62.100 -0.097 0.000 1.015 409 T CB 1.187 70.013 68.868 -0.069 0.000 1.044 409 T HN 0.329 nan 8.240 nan 0.000 0.520 410 L N 0.964 122.149 121.223 -0.063 0.000 2.013 410 L HA -0.124 4.171 4.340 -0.075 0.000 0.212 410 L C 2.658 179.510 176.870 -0.031 0.000 1.073 410 L CA 2.037 56.853 54.840 -0.039 0.000 0.753 410 L CB -1.487 40.576 42.059 0.005 0.000 0.890 410 L HN 0.870 nan 8.230 nan 0.000 0.432 411 E N -0.215 119.971 120.200 -0.024 0.000 2.033 411 E HA -0.277 4.028 4.350 -0.075 0.000 0.199 411 E C 1.720 178.306 176.600 -0.024 0.000 1.011 411 E CA 1.894 58.287 56.400 -0.013 0.000 0.815 411 E CB -0.150 29.540 29.700 -0.016 0.000 0.755 411 E HN 0.527 nan 8.360 nan 0.000 0.451 412 D N 0.294 120.663 120.400 -0.052 0.000 2.104 412 D HA -0.172 4.423 4.640 -0.075 0.000 0.194 412 D C 1.809 178.061 176.300 -0.080 0.000 0.994 412 D CA 0.870 54.833 54.000 -0.062 0.000 0.830 412 D CB -0.164 40.586 40.800 -0.085 0.000 0.959 412 D HN -0.000 nan 8.370 nan 0.000 0.452 413 L N 0.705 121.833 121.223 -0.159 0.000 2.046 413 L HA -0.106 4.189 4.340 -0.075 0.000 0.208 413 L C 1.957 178.830 176.870 0.004 0.000 1.077 413 L CA 1.641 56.301 54.840 -0.300 0.000 0.747 413 L CB -0.501 41.138 42.059 -0.701 0.000 0.896 413 L HN -0.006 nan 8.230 nan 0.000 0.432 414 K N -0.779 119.664 120.400 0.071 0.000 2.280 414 K HA -0.112 4.163 4.320 -0.075 0.000 0.202 414 K C 2.148 178.822 176.600 0.123 0.000 1.047 414 K CA 1.319 57.702 56.287 0.159 0.000 0.942 414 K CB -0.245 32.321 32.500 0.109 0.000 0.739 414 K HN 0.472 nan 8.250 nan 0.000 0.457 415 S N 0.905 116.651 115.700 0.076 0.000 2.414 415 S HA -0.044 4.382 4.470 -0.075 0.000 0.227 415 S C 1.990 176.642 174.600 0.086 0.000 1.022 415 S CA 0.525 58.763 58.200 0.063 0.000 0.958 415 S CB -0.335 62.886 63.200 0.035 0.000 0.797 415 S HN 0.182 nan 8.310 nan 0.000 0.493 416 I N 0.767 121.406 120.570 0.114 0.000 2.286 416 I HA 0.053 4.178 4.170 -0.075 0.000 0.245 416 I C 1.088 177.319 176.117 0.191 0.000 1.104 416 I CA 0.791 62.181 61.300 0.150 0.000 1.397 416 I CB -0.017 38.090 38.000 0.178 0.000 1.072 416 I HN 0.341 nan 8.210 nan 0.000 0.417 417 S N -0.817 115.045 115.700 0.270 0.000 2.563 417 S HA 0.259 4.685 4.470 -0.075 0.000 0.279 417 S C -2.151 172.571 174.600 0.203 0.000 1.155 417 S CA -0.981 57.334 58.200 0.191 0.000 0.928 417 S CB 1.635 64.895 63.200 0.100 0.000 1.107 417 S HN -0.144 nan 8.310 nan 0.000 0.462 418 P HA -0.009 nan 4.420 nan 0.000 0.222 418 P C 1.402 178.749 177.300 0.077 0.000 1.147 418 P CA 0.612 63.769 63.100 0.095 0.000 0.790 418 P CB 0.034 31.766 31.700 0.054 0.000 0.780 419 L N -1.968 119.254 121.223 -0.001 0.000 2.353 419 L HA -0.046 4.249 4.340 -0.075 0.000 0.220 419 L C 1.095 177.960 176.870 -0.009 0.000 1.133 419 L CA 0.403 55.204 54.840 -0.065 0.000 0.798 419 L CB -0.777 41.178 42.059 -0.174 0.000 0.922 419 L HN -0.132 nan 8.230 nan 0.000 0.445 420 F N 0.305 120.347 119.950 0.154 0.000 2.484 420 F HA 0.352 4.834 4.527 -0.075 0.000 0.360 420 F C 0.720 176.607 175.800 0.145 0.000 1.101 420 F CA -0.293 57.816 58.000 0.181 0.000 1.251 420 F CB 0.469 39.514 39.000 0.075 0.000 1.132 420 F HN -0.138 nan 8.300 nan 0.000 0.570 421 A N 1.277 124.334 122.820 0.396 0.000 2.483 421 A HA 0.538 4.813 4.320 -0.075 0.000 0.286 421 A C 0.699 178.397 177.584 0.190 0.000 1.207 421 A CA 0.048 52.234 52.037 0.248 0.000 0.764 421 A CB 0.669 19.803 19.000 0.222 0.000 1.341 421 A HN 0.685 nan 8.150 nan 0.000 0.428 422 S N -0.269 115.510 115.700 0.131 0.000 2.474 422 S HA -0.137 4.289 4.470 -0.075 0.000 0.235 422 S C 0.878 175.538 174.600 0.100 0.000 0.997 422 S CA 1.600 59.855 58.200 0.093 0.000 0.949 422 S CB -0.486 62.755 63.200 0.067 0.000 0.766 422 S HN 0.784 nan 8.310 nan 0.000 0.517 423 D N 1.399 121.885 120.400 0.142 0.000 2.363 423 D HA 0.015 4.610 4.640 -0.075 0.000 0.220 423 D C 1.641 178.030 176.300 0.150 0.000 0.994 423 D CA 0.337 54.429 54.000 0.152 0.000 0.890 423 D CB -0.635 40.273 40.800 0.180 0.000 0.906 423 D HN 0.370 nan 8.370 nan 0.000 0.530 424 V N 1.289 121.237 119.914 0.057 0.000 2.867 424 V HA -0.232 3.844 4.120 -0.075 0.000 0.260 424 V C 2.093 178.131 176.094 -0.094 0.000 1.099 424 V CA 2.140 64.264 62.300 -0.293 0.000 1.122 424 V CB -0.799 30.812 31.823 -0.353 0.000 0.708 424 V HN 0.407 nan 8.190 nan 0.000 0.490 425 S N -0.780 114.964 115.700 0.073 0.000 2.423 425 S HA -0.246 4.179 4.470 -0.075 0.000 0.231 425 S C 1.734 176.427 174.600 0.155 0.000 1.014 425 S CA 1.345 59.665 58.200 0.200 0.000 0.965 425 S CB -0.413 62.864 63.200 0.128 0.000 0.785 425 S HN 0.781 nan 8.310 nan 0.000 0.495 426 Q N 0.806 120.643 119.800 0.061 0.000 2.167 426 Q HA 0.016 4.311 4.340 -0.075 0.000 0.202 426 Q C 2.130 178.110 176.000 -0.034 0.000 0.970 426 Q CA 1.265 57.091 55.803 0.039 0.000 0.855 426 Q CB -0.550 28.217 28.738 0.049 0.000 0.911 426 Q HN 0.477 nan 8.270 nan 0.000 0.438 427 V N 0.464 120.273 119.914 -0.175 0.000 2.688 427 V HA -0.214 3.862 4.120 -0.075 0.000 0.256 427 V C 1.016 176.829 176.094 -0.469 0.000 1.084 427 V CA 1.450 63.529 62.300 -0.369 0.000 1.103 427 V CB -0.483 30.968 31.823 -0.620 0.000 0.688 427 V HN 0.294 nan 8.190 nan 0.000 0.480 428 F N 0.126 120.068 119.950 -0.013 0.000 2.873 428 F HA 0.322 4.804 4.527 -0.075 0.000 0.289 428 F C 0.918 176.716 175.800 -0.004 0.000 1.206 428 F CA 0.153 58.144 58.000 -0.014 0.000 1.401 428 F CB 0.118 39.100 39.000 -0.030 0.000 0.996 428 F HN -0.009 nan 8.300 nan 0.000 0.511 429 S N 0.152 115.897 115.700 0.075 0.000 2.552 429 S HA 0.334 4.760 4.470 -0.075 0.000 0.314 429 S C 1.048 175.673 174.600 0.042 0.000 1.099 429 S CA -0.781 57.456 58.200 0.062 0.000 1.070 429 S CB 1.113 64.341 63.200 0.046 0.000 0.998 429 S HN 0.183 nan 8.310 nan 0.000 0.474 430 V N 4.430 124.370 119.914 0.044 0.000 2.720 430 V HA -0.024 4.051 4.120 -0.075 0.000 0.256 430 V C 1.764 177.881 176.094 0.039 0.000 1.082 430 V CA 1.609 63.931 62.300 0.037 0.000 1.101 430 V CB -1.161 30.677 31.823 0.024 0.000 0.693 430 V HN 0.647 nan 8.190 nan 0.000 0.479 431 V N 1.334 121.269 119.914 0.035 0.000 2.283 431 V HA -0.160 3.916 4.120 -0.075 0.000 0.243 431 V C 2.680 178.797 176.094 0.038 0.000 1.039 431 V CA 2.349 64.671 62.300 0.036 0.000 1.016 431 V CB -0.943 30.898 31.823 0.030 0.000 0.650 431 V HN 0.550 nan 8.190 nan 0.000 0.449 432 N N 0.021 118.738 118.700 0.028 0.000 2.104 432 N HA -0.173 4.523 4.740 -0.075 0.000 0.190 432 N C 2.158 177.678 175.510 0.016 0.000 1.024 432 N CA 1.796 54.856 53.050 0.016 0.000 0.853 432 N CB -0.444 38.047 38.487 0.006 0.000 1.008 432 N HN 0.430 nan 8.380 nan 0.000 0.424 433 S N 0.869 116.586 115.700 0.028 0.000 2.359 433 S HA -0.148 4.278 4.470 -0.075 0.000 0.222 433 S C 2.181 176.862 174.600 0.135 0.000 1.038 433 S CA 2.183 60.416 58.200 0.056 0.000 1.051 433 S CB -0.484 62.755 63.200 0.066 0.000 0.944 433 S HN 0.253 nan 8.310 nan 0.000 0.433 434 V N -0.095 119.908 119.914 0.149 0.000 2.759 434 V HA 0.070 4.145 4.120 -0.075 0.000 0.256 434 V C 1.844 178.063 176.094 0.208 0.000 1.080 434 V CA 1.642 64.077 62.300 0.225 0.000 1.101 434 V CB -0.853 31.046 31.823 0.127 0.000 0.698 434 V HN 0.308 nan 8.190 nan 0.000 0.477 435 E N 0.729 120.988 120.200 0.097 0.000 2.511 435 E HA -0.061 4.244 4.350 -0.075 0.000 0.196 435 E C 2.129 178.726 176.600 -0.004 0.000 1.066 435 E CA 0.601 57.034 56.400 0.054 0.000 0.871 435 E CB -0.032 29.685 29.700 0.029 0.000 0.863 435 E HN 0.814 nan 8.360 nan 0.000 0.520 436 Q N -0.588 119.159 119.800 -0.088 0.000 2.187 436 Q HA -0.071 4.224 4.340 -0.075 0.000 0.199 436 Q C 0.265 176.059 176.000 -0.343 0.000 0.957 436 Q CA 0.682 56.312 55.803 -0.288 0.000 0.857 436 Q CB -0.122 28.296 28.738 -0.533 0.000 0.929 436 Q HN 0.360 nan 8.270 nan 0.000 0.453 437 Y N 0.802 121.104 120.300 0.003 0.000 2.724 437 Y HA 0.028 4.534 4.550 -0.073 0.000 0.354 437 Y C 1.467 177.367 175.900 0.001 0.000 1.270 437 Y CA 0.169 58.270 58.100 0.002 0.000 1.902 437 Y CB -0.012 38.451 38.460 0.005 0.000 1.981 437 Y HN -0.043 nan 8.280 nan 0.000 0.428 438 T N -0.156 114.432 114.554 0.057 0.000 3.081 438 T HA 0.269 4.574 4.350 -0.075 0.000 0.255 438 T C 1.088 175.812 174.700 0.039 0.000 1.113 438 T CA 0.153 62.278 62.100 0.041 0.000 1.082 438 T CB -0.244 68.628 68.868 0.007 0.000 0.939 438 T HN 0.522 nan 8.240 nan 0.000 0.506 439 A N 1.112 123.961 122.820 0.047 0.000 2.445 439 A HA 0.502 4.777 4.320 -0.075 0.000 0.242 439 A C 0.394 178.004 177.584 0.042 0.000 1.075 439 A CA -0.398 51.661 52.037 0.038 0.000 0.777 439 A CB 0.147 19.171 19.000 0.041 0.000 1.013 439 A HN 0.307 nan 8.150 nan 0.000 0.493 440 V N 2.061 121.990 119.914 0.025 0.000 2.644 440 V HA 0.258 4.333 4.120 -0.075 0.000 0.303 440 V C 1.683 177.788 176.094 0.017 0.000 1.058 440 V CA 2.031 64.342 62.300 0.017 0.000 1.228 440 V CB -0.572 31.256 31.823 0.008 0.000 0.861 440 V HN 2.041 nan 8.190 nan 0.000 0.484 441 G N 3.317 112.124 108.800 0.012 0.000 2.195 441 G HA2 -0.135 3.781 3.960 -0.075 0.000 0.246 441 G HA3 -0.135 3.781 3.960 -0.075 0.000 0.246 441 G C 0.530 175.434 174.900 0.006 0.000 0.984 441 G CA 0.024 45.124 45.100 -0.000 0.000 0.633 441 G HN 1.375 nan 8.290 nan 0.000 0.525 442 G N -0.875 107.949 108.800 0.040 0.000 2.588 442 G HA2 0.495 4.410 3.960 -0.075 0.000 0.281 442 G HA3 0.495 4.410 3.960 -0.075 0.000 0.281 442 G C 0.992 175.921 174.900 0.048 0.000 1.236 442 G CA 0.858 45.999 45.100 0.068 0.000 0.969 442 G HN 0.554 nan 8.290 nan 0.000 0.504 443 T N 0.328 114.907 114.554 0.041 0.000 3.148 443 T HA 0.311 4.616 4.350 -0.075 0.000 0.253 443 T C 1.365 176.120 174.700 0.092 0.000 1.134 443 T CA 0.471 62.591 62.100 0.033 0.000 1.051 443 T CB -0.131 68.721 68.868 -0.028 0.000 0.959 443 T HN 0.792 nan 8.240 nan 0.000 0.525 444 A N 1.803 124.704 122.820 0.134 0.000 2.531 444 A HA 0.178 4.453 4.320 -0.075 0.000 0.236 444 A C 1.697 179.320 177.584 0.064 0.000 1.062 444 A CA -0.114 51.985 52.037 0.103 0.000 0.760 444 A CB 0.166 19.218 19.000 0.087 0.000 0.995 444 A HN 0.366 nan 8.150 nan 0.000 0.501 445 K N 1.285 121.717 120.400 0.054 0.000 2.074 445 K HA -0.198 4.077 4.320 -0.075 0.000 0.209 445 K C 2.060 178.680 176.600 0.033 0.000 1.048 445 K CA 2.142 58.454 56.287 0.042 0.000 0.926 445 K CB -0.176 32.347 32.500 0.039 0.000 0.713 445 K HN 0.892 nan 8.250 nan 0.000 0.444 446 S N -0.573 115.146 115.700 0.030 0.000 2.428 446 S HA -0.095 4.330 4.470 -0.075 0.000 0.230 446 S C 2.040 176.652 174.600 0.021 0.000 1.014 446 S CA 1.367 59.581 58.200 0.023 0.000 0.957 446 S CB -0.034 63.178 63.200 0.019 0.000 0.784 446 S HN 0.330 nan 8.310 nan 0.000 0.499 447 S N 0.742 116.459 115.700 0.028 0.000 2.377 447 S HA 0.031 4.456 4.470 -0.075 0.000 0.223 447 S C 1.813 176.422 174.600 0.014 0.000 1.030 447 S CA 0.933 59.147 58.200 0.024 0.000 0.970 447 S CB -0.572 62.651 63.200 0.037 0.000 0.830 447 S HN 0.401 nan 8.310 nan 0.000 0.473 448 V N 2.448 122.372 119.914 0.017 0.000 2.343 448 V HA -0.154 3.921 4.120 -0.075 0.000 0.247 448 V C 2.964 179.060 176.094 0.004 0.000 1.051 448 V CA 2.213 64.517 62.300 0.007 0.000 1.036 448 V CB -1.565 30.267 31.823 0.015 0.000 0.654 448 V HN 0.850 nan 8.190 nan 0.000 0.451 449 T N -1.016 113.544 114.554 0.011 0.000 2.777 449 T HA -0.125 4.180 4.350 -0.075 0.000 0.266 449 T C 1.958 176.660 174.700 0.004 0.000 1.040 449 T CA 1.433 63.539 62.100 0.009 0.000 1.141 449 T CB -0.502 68.374 68.868 0.014 0.000 0.868 449 T HN 0.459 nan 8.240 nan 0.000 0.444 450 A N 1.779 124.602 122.820 0.004 0.000 1.902 450 A HA -0.150 4.126 4.320 -0.075 0.000 0.217 450 A C 2.497 180.078 177.584 -0.005 0.000 1.181 450 A CA 1.760 53.798 52.037 0.001 0.000 0.623 450 A CB -0.905 18.096 19.000 0.003 0.000 0.818 450 A HN 0.660 nan 8.150 nan 0.000 0.443 451 Q N -0.498 119.296 119.800 -0.009 0.000 2.061 451 Q HA -0.140 4.156 4.340 -0.075 0.000 0.204 451 Q C 2.078 178.066 176.000 -0.019 0.000 0.984 451 Q CA 1.653 57.445 55.803 -0.018 0.000 0.846 451 Q CB -0.378 28.344 28.738 -0.027 0.000 0.902 451 Q HN 0.747 nan 8.270 nan 0.000 0.421 452 I N 0.900 121.461 120.570 -0.015 0.000 2.208 452 I HA -0.278 3.847 4.170 -0.075 0.000 0.245 452 I C 2.192 178.304 176.117 -0.009 0.000 1.097 452 I CA 0.977 62.269 61.300 -0.013 0.000 1.363 452 I CB -0.310 37.687 38.000 -0.005 0.000 1.051 452 I HN 0.199 nan 8.210 nan 0.000 0.413 453 E N 0.684 120.881 120.200 -0.005 0.000 2.077 453 E HA -0.222 4.083 4.350 -0.075 0.000 0.193 453 E C 2.166 178.762 176.600 -0.006 0.000 0.989 453 E CA 1.169 57.567 56.400 -0.003 0.000 0.800 453 E CB -0.323 29.377 29.700 -0.001 0.000 0.746 453 E HN 0.596 nan 8.360 nan 0.000 0.452 454 Q N 0.101 119.896 119.800 -0.008 0.000 2.084 454 Q HA -0.062 4.233 4.340 -0.075 0.000 0.202 454 Q C 2.466 178.458 176.000 -0.012 0.000 0.978 454 Q CA 0.866 56.663 55.803 -0.010 0.000 0.844 454 Q CB -0.096 28.634 28.738 -0.013 0.000 0.898 454 Q HN 0.277 nan 8.270 nan 0.000 0.426 455 L N -0.025 121.189 121.223 -0.016 0.000 2.156 455 L HA -0.141 4.155 4.340 -0.075 0.000 0.208 455 L C 2.468 179.331 176.870 -0.012 0.000 1.095 455 L CA 0.894 55.723 54.840 -0.018 0.000 0.770 455 L CB -0.275 41.768 42.059 -0.026 0.000 0.914 455 L HN 0.144 nan 8.230 nan 0.000 0.439 456 R N -0.305 120.190 120.500 -0.009 0.000 2.096 456 R HA -0.168 4.128 4.340 -0.075 0.000 0.235 456 R C 2.252 178.550 176.300 -0.003 0.000 1.127 456 R CA 1.136 57.234 56.100 -0.004 0.000 0.968 456 R CB -0.151 30.148 30.300 -0.002 0.000 0.861 456 R HN 0.312 nan 8.270 nan 0.000 0.440 457 E N 0.618 120.816 120.200 -0.004 0.000 2.216 457 E HA -0.138 4.167 4.350 -0.075 0.000 0.192 457 E C 1.773 178.371 176.600 -0.004 0.000 0.988 457 E CA 0.614 57.012 56.400 -0.003 0.000 0.834 457 E CB 0.203 29.902 29.700 -0.003 0.000 0.772 457 E HN 0.134 nan 8.360 nan 0.000 0.479 458 L N 0.703 121.923 121.223 -0.006 0.000 2.156 458 L HA -0.049 4.246 4.340 -0.075 0.000 0.208 458 L C 2.249 179.116 176.870 -0.005 0.000 1.095 458 L CA 0.955 55.791 54.840 -0.006 0.000 0.770 458 L CB -0.159 41.894 42.059 -0.009 0.000 0.914 458 L HN 0.130 nan 8.230 nan 0.000 0.439 459 L N -1.023 120.197 121.223 -0.004 0.000 2.109 459 L HA -0.172 4.123 4.340 -0.075 0.000 0.207 459 L C 2.511 179.381 176.870 -0.001 0.000 1.086 459 L CA 1.067 55.906 54.840 -0.003 0.000 0.760 459 L CB -0.466 41.592 42.059 -0.002 0.000 0.910 459 L HN 0.225 nan 8.230 nan 0.000 0.437 460 K N 0.243 120.642 120.400 -0.001 0.000 2.097 460 K HA -0.189 4.086 4.320 -0.075 0.000 0.205 460 K C 2.233 178.833 176.600 -0.001 0.000 1.050 460 K CA 0.951 57.237 56.287 -0.000 0.000 0.938 460 K CB 0.106 32.606 32.500 0.000 0.000 0.718 460 K HN -0.040 nan 8.250 nan 0.000 0.442 461 K N 1.018 121.418 120.400 -0.002 0.000 2.218 461 K HA -0.117 4.158 4.320 -0.075 0.000 0.205 461 K C 0.209 176.807 176.600 -0.002 0.000 1.046 461 K CA 1.027 57.313 56.287 -0.002 0.000 0.933 461 K CB -0.019 32.479 32.500 -0.002 0.000 0.728 461 K HN 0.248 nan 8.250 nan 0.000 0.454 462 Q N 2.196 121.994 119.800 -0.002 0.000 2.465 462 Q HA -0.013 4.282 4.340 -0.075 0.000 0.237 462 Q C -0.083 175.916 176.000 -0.003 0.000 1.288 462 Q CA 0.540 56.342 55.803 -0.002 0.000 0.888 462 Q CB -0.069 28.668 28.738 -0.002 0.000 1.570 462 Q HN 0.351 nan 8.270 nan 0.000 0.532 463 K N 0.000 120.398 120.400 -0.003 0.000 2.780 463 K HA 0.000 4.275 4.320 -0.075 0.000 0.191 463 K CA 0.000 56.285 56.287 -0.004 0.000 0.838 463 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 463 K HN 0.000 nan 8.250 nan 0.000 0.543