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 2zjg_1_B DATA FIRST_RESID 42 DATA SEQUENCE NAKRIEGLDS NVWVEFTKLA ADPSVVNLGQ GFPDISPPSY VKEELSKAAF DATA SEQUENCE IDNMNQYTRG FGHPALVKAL SCLYGKIYQR QIDPNEEILV AVGAYGSLFN DATA SEQUENCE SIQGLVDPGD EVIIMVPFYD CYEPMVRMAG AVPVFIPLRS KPTDGMKWTS DATA SEQUENCE SDWTFDPREL ESKFSSKTKA IILNTPHNPL GKVYTRQELQ VIADLCVKHD DATA SEQUENCE TLCISDEVYE WLVYTGHTHV KIATLPGMWE RTITIGSAGX TFSVTGWKLG DATA SEQUENCE WSIGPAHLIK HLQTVQQNSF YTCATPLQAA LAEAFWIDIK RMDDPECYFN DATA SEQUENCE SLPKELEVKR DRMVRLLNSV GLKPIVPDGG YFIIADVSSL GADLSDMNSD DATA SEQUENCE EPYDYKFVKW MTKHKKLTAI PVSAFCDSKS KPHFEKLVRF CFIKKDSTLD DATA SEQUENCE AAEEIFRAWN 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 42 N HA 0.000 nan 4.740 nan 0.000 0.220 42 N C 0.000 175.519 175.510 0.014 0.000 1.280 42 N CA 0.000 53.058 53.050 0.013 0.000 0.885 42 N CB 0.000 38.494 38.487 0.011 0.000 1.341 43 A N 2.614 125.444 122.820 0.018 0.000 2.371 43 A HA 0.369 4.695 4.320 0.010 0.000 0.257 43 A C 1.120 178.715 177.584 0.019 0.000 1.089 43 A CA -0.367 51.681 52.037 0.018 0.000 0.794 43 A CB 0.569 19.583 19.000 0.022 0.000 1.029 43 A HN 0.836 nan 8.150 nan 0.000 0.488 44 K N 0.498 120.907 120.400 0.016 0.000 2.103 44 K HA -0.201 4.125 4.320 0.010 0.000 0.207 44 K C 2.130 178.742 176.600 0.019 0.000 1.048 44 K CA 2.153 58.449 56.287 0.015 0.000 0.930 44 K CB -0.161 32.346 32.500 0.011 0.000 0.716 44 K HN 0.811 nan 8.250 nan 0.000 0.444 45 R N 0.706 121.219 120.500 0.022 0.000 2.170 45 R HA -0.148 4.199 4.340 0.010 0.000 0.242 45 R C 1.629 177.951 176.300 0.037 0.000 1.145 45 R CA 1.832 57.949 56.100 0.029 0.000 0.984 45 R CB -0.881 29.441 30.300 0.037 0.000 0.869 45 R HN 0.373 nan 8.270 nan 0.000 0.455 46 I N -1.112 119.479 120.570 0.036 0.000 3.941 46 I HA 0.283 4.459 4.170 0.010 0.000 0.335 46 I C 0.113 176.250 176.117 0.032 0.000 1.402 46 I CA -0.845 60.478 61.300 0.039 0.000 1.112 46 I CB 0.037 38.060 38.000 0.039 0.000 1.043 46 I HN -0.119 nan 8.210 nan 0.000 0.395 47 E N 2.739 122.956 120.200 0.027 0.000 2.442 47 E HA 0.184 4.541 4.350 0.010 0.000 0.260 47 E C 0.845 177.463 176.600 0.029 0.000 1.148 47 E CA 0.504 56.918 56.400 0.024 0.000 0.976 47 E CB 0.514 30.226 29.700 0.020 0.000 0.967 47 E HN 0.389 nan 8.360 nan 0.000 0.454 48 G N 2.226 111.042 108.800 0.027 0.000 2.097 48 G HA2 0.145 4.111 3.960 0.010 0.000 0.256 48 G HA3 0.145 4.111 3.960 0.010 0.000 0.256 48 G C 0.065 174.986 174.900 0.036 0.000 1.082 48 G CA 0.246 45.362 45.100 0.026 0.000 0.956 48 G HN 0.454 nan 8.290 nan 0.000 0.420 49 L N 1.966 123.210 121.223 0.035 0.000 3.695 49 L HA 0.178 4.524 4.340 0.010 0.000 0.349 49 L C 0.854 177.746 176.870 0.036 0.000 1.304 49 L CA -0.032 54.835 54.840 0.044 0.000 1.078 49 L CB 0.564 42.655 42.059 0.054 0.000 1.440 49 L HN 0.688 nan 8.230 nan 0.000 0.620 50 D N -1.507 118.907 120.400 0.025 0.000 2.398 50 D HA 0.049 4.695 4.640 0.010 0.000 0.210 50 D C 0.374 176.677 176.300 0.006 0.000 1.094 50 D CA -0.087 53.921 54.000 0.014 0.000 0.839 50 D CB 0.422 41.228 40.800 0.009 0.000 0.963 50 D HN -0.008 nan 8.370 nan 0.000 0.506 51 S N 1.162 116.868 115.700 0.009 0.000 2.515 51 S HA 0.067 4.543 4.470 0.010 0.000 0.285 51 S C -0.020 174.582 174.600 0.003 0.000 1.265 51 S CA -0.174 58.026 58.200 -0.001 0.000 1.079 51 S CB 0.150 63.351 63.200 0.002 0.000 0.877 51 S HN 0.238 nan 8.310 nan 0.000 0.493 52 N N 2.964 121.656 118.700 -0.013 0.000 2.696 52 N HA 0.225 4.971 4.740 0.010 0.000 0.246 52 N C 0.431 175.908 175.510 -0.056 0.000 1.057 52 N CA -0.278 52.772 53.050 -0.001 0.000 0.867 52 N CB 0.953 39.441 38.487 0.003 0.000 1.141 52 N HN 0.287 nan 8.380 nan 0.000 0.517 53 V N 2.560 122.422 119.914 -0.088 0.000 2.867 53 V HA -0.117 4.009 4.120 0.010 0.000 0.260 53 V C 0.779 176.382 176.094 -0.819 0.000 1.099 53 V CA 1.351 63.428 62.300 -0.372 0.000 1.122 53 V CB -0.413 31.216 31.823 -0.322 0.000 0.708 53 V HN 0.702 nan 8.190 nan 0.000 0.490 54 W N -1.659 119.283 121.300 -0.597 0.000 2.770 54 W HA 0.063 4.730 4.660 0.010 0.000 0.256 54 W C 2.254 178.627 176.519 -0.245 0.000 1.291 54 W CA 0.986 58.053 57.345 -0.463 0.000 1.396 54 W CB -0.491 28.875 29.460 -0.156 0.000 1.114 54 W HN 0.063 nan 8.180 nan 0.000 0.637 55 V N 0.879 120.774 119.914 -0.033 0.000 2.261 55 V HA -0.318 3.809 4.120 0.010 0.000 0.246 55 V C 1.920 177.969 176.094 -0.075 0.000 1.047 55 V CA 2.545 64.826 62.300 -0.033 0.000 1.015 55 V CB -0.262 31.539 31.823 -0.036 0.000 0.642 55 V HN 0.067 nan 8.190 nan 0.000 0.446 56 E N -0.388 119.705 120.200 -0.177 0.000 2.130 56 E HA -0.212 4.144 4.350 0.010 0.000 0.196 56 E C 1.991 178.582 176.600 -0.015 0.000 0.998 56 E CA 1.943 58.261 56.400 -0.137 0.000 0.806 56 E CB -0.267 29.322 29.700 -0.185 0.000 0.738 56 E HN 0.718 nan 8.360 nan 0.000 0.459 57 F N 0.210 120.094 119.950 -0.110 0.000 2.186 57 F HA -0.103 4.430 4.527 0.010 0.000 0.299 57 F C 2.428 178.175 175.800 -0.088 0.000 1.090 57 F CA 1.127 59.026 58.000 -0.169 0.000 1.307 57 F CB -1.242 37.533 39.000 -0.375 0.000 1.019 57 F HN -0.049 nan 8.300 nan 0.000 0.489 58 T N 0.065 114.702 114.554 0.138 0.000 3.035 58 T HA -0.104 4.253 4.350 0.010 0.000 0.268 58 T C 1.910 176.627 174.700 0.028 0.000 1.109 58 T CA 0.744 62.890 62.100 0.077 0.000 1.119 58 T CB -0.134 68.776 68.868 0.069 0.000 0.900 58 T HN 0.244 nan 8.240 nan 0.000 0.503 59 K N 1.041 121.455 120.400 0.024 0.000 2.057 59 K HA 0.067 4.394 4.320 0.010 0.000 0.207 59 K C 2.101 178.700 176.600 -0.002 0.000 1.049 59 K CA 0.956 57.245 56.287 0.003 0.000 0.931 59 K CB -0.313 32.184 32.500 -0.004 0.000 0.714 59 K HN 0.333 nan 8.250 nan 0.000 0.440 60 L N 0.318 121.551 121.223 0.016 0.000 2.217 60 L HA -0.071 4.275 4.340 0.010 0.000 0.211 60 L C 2.151 179.004 176.870 -0.029 0.000 1.107 60 L CA 0.576 55.409 54.840 -0.012 0.000 0.783 60 L CB -0.324 41.731 42.059 -0.007 0.000 0.919 60 L HN 0.143 nan 8.230 nan 0.000 0.442 61 A N 0.165 122.976 122.820 -0.015 0.000 2.307 61 A HA 0.381 4.708 4.320 0.010 0.000 0.218 61 A C 1.252 178.813 177.584 -0.038 0.000 1.228 61 A CA 0.156 52.175 52.037 -0.029 0.000 0.857 61 A CB -0.424 18.562 19.000 -0.023 0.000 0.897 61 A HN 0.236 nan 8.150 nan 0.000 0.495 62 A N 1.009 123.810 122.820 -0.033 0.000 2.581 62 A HA 0.046 4.373 4.320 0.010 0.000 0.257 62 A C 1.138 178.696 177.584 -0.043 0.000 1.022 62 A CA 0.948 52.962 52.037 -0.037 0.000 0.812 62 A CB -0.516 18.463 19.000 -0.035 0.000 0.918 62 A HN 0.693 nan 8.150 nan 0.000 0.516 63 D N 3.761 124.137 120.400 -0.041 0.000 2.230 63 D HA -0.193 4.454 4.640 0.010 0.000 0.189 63 D C -1.128 175.143 176.300 -0.050 0.000 1.006 63 D CA 2.245 56.221 54.000 -0.040 0.000 0.853 63 D CB -1.097 39.684 40.800 -0.032 0.000 0.959 63 D HN 0.471 nan 8.370 nan 0.000 0.449 64 P HA -0.234 nan 4.420 nan 0.000 0.032 64 P C -0.346 176.920 177.300 -0.058 0.000 0.805 64 P CA 1.603 64.671 63.100 -0.054 0.000 1.022 64 P CB -1.075 30.586 31.700 -0.065 0.000 1.877 65 S N -3.978 111.693 115.700 -0.049 0.000 3.424 65 S HA -0.095 4.381 4.470 0.010 0.000 0.276 65 S C -0.006 174.562 174.600 -0.053 0.000 1.280 65 S CA 0.154 58.327 58.200 -0.045 0.000 0.801 65 S CB -1.777 61.395 63.200 -0.047 0.000 1.010 65 S HN 0.007 nan 8.310 nan 0.000 0.673 66 V N 1.953 121.835 119.914 -0.053 0.000 2.539 66 V HA 0.505 4.631 4.120 0.010 0.000 0.292 66 V C 0.879 176.956 176.094 -0.029 0.000 1.045 66 V CA -0.477 61.788 62.300 -0.058 0.000 0.945 66 V CB 1.939 33.721 31.823 -0.069 0.000 0.993 66 V HN 0.359 nan 8.190 nan 0.000 0.464 67 V N 4.140 124.040 119.914 -0.023 0.000 2.415 67 V HA 0.107 4.233 4.120 0.010 0.000 0.267 67 V C 0.430 176.550 176.094 0.043 0.000 1.042 67 V CA -0.192 62.117 62.300 0.014 0.000 1.000 67 V CB 0.406 32.235 31.823 0.010 0.000 1.015 67 V HN 0.901 nan 8.190 nan 0.000 0.478 68 N N 5.625 124.359 118.700 0.057 0.000 2.437 68 N HA 0.293 5.039 4.740 0.010 0.000 0.243 68 N C 0.071 175.656 175.510 0.125 0.000 1.041 68 N CA -0.181 52.907 53.050 0.064 0.000 0.940 68 N CB 0.759 39.264 38.487 0.029 0.000 1.133 68 N HN 0.651 nan 8.380 nan 0.000 0.506 69 L N 2.392 123.706 121.223 0.153 0.000 2.857 69 L HA 0.359 4.705 4.340 0.010 0.000 0.249 69 L C 1.631 178.626 176.870 0.208 0.000 1.172 69 L CA -0.219 54.765 54.840 0.240 0.000 0.980 69 L CB 0.264 42.553 42.059 0.384 0.000 1.299 69 L HN 0.670 nan 8.230 nan 0.000 0.535 70 G N 0.172 109.049 108.800 0.128 0.000 2.607 70 G HA2 -0.074 3.892 3.960 0.010 0.000 0.215 70 G HA3 -0.074 3.892 3.960 0.010 0.000 0.215 70 G C 0.445 175.512 174.900 0.278 0.000 1.275 70 G CA 0.103 45.253 45.100 0.084 0.000 0.842 70 G HN 0.271 nan 8.290 nan 0.000 0.555 71 Q N -0.194 119.805 119.800 0.331 0.000 2.230 71 Q HA 0.517 4.863 4.340 0.010 0.000 0.248 71 Q C 0.314 176.641 176.000 0.544 0.000 0.915 71 Q CA -0.278 55.827 55.803 0.503 0.000 0.900 71 Q CB 1.625 30.644 28.738 0.468 0.000 1.229 71 Q HN 0.296 nan 8.270 nan 0.000 0.439 72 G N 1.678 110.887 108.800 0.680 0.000 2.526 72 G HA2 0.219 4.185 3.960 0.010 0.000 0.293 72 G HA3 0.219 4.185 3.960 0.010 0.000 0.293 72 G C -1.097 174.064 174.900 0.436 0.000 0.882 72 G CA 0.226 45.696 45.100 0.617 0.000 1.656 72 G HN 0.500 nan 8.290 nan 0.000 0.474 73 F N 4.459 124.456 119.950 0.079 0.000 3.090 73 F HA 0.401 4.934 4.527 0.010 0.000 0.381 73 F C -2.467 173.288 175.800 -0.074 0.000 1.231 73 F CA -2.314 55.710 58.000 0.040 0.000 1.177 73 F CB 2.172 41.226 39.000 0.090 0.000 1.598 73 F HN 0.185 nan 8.300 nan 0.000 0.589 74 P HA 0.040 nan 4.420 nan 0.000 0.264 74 P C -0.283 176.737 177.300 -0.467 0.000 1.183 74 P CA 0.564 63.415 63.100 -0.415 0.000 0.763 74 P CB 0.604 32.084 31.700 -0.366 0.000 0.807 75 D N 2.193 122.459 120.400 -0.223 0.000 2.535 75 D HA 0.047 4.693 4.640 0.010 0.000 0.229 75 D C 0.627 176.875 176.300 -0.087 0.000 1.238 75 D CA -0.297 53.616 54.000 -0.146 0.000 0.824 75 D CB -0.898 39.929 40.800 0.045 0.000 1.045 75 D HN 0.351 nan 8.370 nan 0.000 0.500 76 I N -1.694 118.814 120.570 -0.103 0.000 3.060 76 I HA 0.297 4.473 4.170 0.010 0.000 0.285 76 I C 0.182 176.248 176.117 -0.085 0.000 1.190 76 I CA -0.682 60.579 61.300 -0.065 0.000 1.363 76 I CB 0.644 38.619 38.000 -0.041 0.000 1.396 76 I HN -0.270 nan 8.210 nan 0.000 0.607 77 S N 3.744 119.409 115.700 -0.059 0.000 2.592 77 S HA 0.378 4.854 4.470 0.010 0.000 0.271 77 S C -2.059 172.477 174.600 -0.107 0.000 1.326 77 S CA -0.669 57.483 58.200 -0.080 0.000 1.024 77 S CB 0.566 63.730 63.200 -0.060 0.000 0.921 77 S HN 0.569 nan 8.310 nan 0.000 0.527 78 P HA 0.286 nan 4.420 nan 0.000 0.272 78 P C -2.600 174.507 177.300 -0.321 0.000 1.240 78 P CA -1.287 61.663 63.100 -0.252 0.000 0.791 78 P CB -0.521 30.995 31.700 -0.306 0.000 0.978 79 P HA -0.076 nan 4.420 nan 0.000 0.265 79 P C 0.983 177.901 177.300 -0.636 0.000 1.187 79 P CA 0.522 63.194 63.100 -0.715 0.000 0.766 79 P CB 0.185 31.090 31.700 -1.325 0.000 0.820 80 S N 2.792 118.247 115.700 -0.408 0.000 2.368 80 S HA -0.234 4.242 4.470 0.010 0.000 0.224 80 S C 1.780 176.261 174.600 -0.197 0.000 1.029 80 S CA 1.313 59.389 58.200 -0.207 0.000 0.988 80 S CB -1.594 61.575 63.200 -0.051 0.000 0.838 80 S HN 0.571 nan 8.310 nan 0.000 0.462 81 Y N 1.084 121.315 120.300 -0.114 0.000 2.509 81 Y HA 0.267 4.823 4.550 0.010 0.000 0.293 81 Y C 2.069 177.883 175.900 -0.143 0.000 1.133 81 Y CA 0.215 58.252 58.100 -0.105 0.000 1.283 81 Y CB -0.952 37.446 38.460 -0.104 0.000 1.001 81 Y HN 0.092 nan 8.280 nan 0.000 0.555 82 V N 1.280 120.852 119.914 -0.570 0.000 2.237 82 V HA -0.301 3.825 4.120 0.010 0.000 0.245 82 V C 2.360 178.378 176.094 -0.128 0.000 1.046 82 V CA 2.333 64.359 62.300 -0.457 0.000 1.007 82 V CB -0.660 30.718 31.823 -0.742 0.000 0.638 82 V HN 0.337 nan 8.190 nan 0.000 0.445 83 K N -0.127 120.200 120.400 -0.123 0.000 2.074 83 K HA -0.268 4.058 4.320 0.010 0.000 0.209 83 K C 2.147 178.772 176.600 0.041 0.000 1.048 83 K CA 2.068 58.364 56.287 0.016 0.000 0.926 83 K CB -0.260 32.221 32.500 -0.032 0.000 0.713 83 K HN 0.484 nan 8.250 nan 0.000 0.444 84 E N 0.541 120.755 120.200 0.022 0.000 2.038 84 E HA -0.191 4.166 4.350 0.010 0.000 0.195 84 E C 1.974 178.618 176.600 0.074 0.000 1.000 84 E CA 1.407 57.841 56.400 0.057 0.000 0.803 84 E CB 0.105 29.849 29.700 0.073 0.000 0.750 84 E HN 0.208 nan 8.360 nan 0.000 0.448 85 E N 0.470 120.720 120.200 0.083 0.000 2.153 85 E HA -0.181 4.176 4.350 0.010 0.000 0.194 85 E C 2.211 178.853 176.600 0.071 0.000 0.988 85 E CA 0.465 56.917 56.400 0.087 0.000 0.811 85 E CB -0.271 29.486 29.700 0.095 0.000 0.746 85 E HN 0.338 nan 8.360 nan 0.000 0.466 86 L N 1.392 122.672 121.223 0.096 0.000 2.042 86 L HA -0.229 4.118 4.340 0.010 0.000 0.210 86 L C 2.615 179.442 176.870 -0.072 0.000 1.076 86 L CA 1.962 56.798 54.840 -0.006 0.000 0.749 86 L CB -0.371 41.714 42.059 0.043 0.000 0.893 86 L HN 0.206 nan 8.230 nan 0.000 0.432 87 S N -0.759 114.925 115.700 -0.026 0.000 2.357 87 S HA -0.201 4.275 4.470 0.010 0.000 0.221 87 S C 1.902 176.505 174.600 0.005 0.000 1.031 87 S CA 0.819 58.981 58.200 -0.064 0.000 0.982 87 S CB -0.244 62.976 63.200 0.033 0.000 0.853 87 S HN 0.362 nan 8.310 nan 0.000 0.458 88 K N 1.810 122.267 120.400 0.096 0.000 2.034 88 K HA -0.151 4.176 4.320 0.010 0.000 0.214 88 K C 2.565 179.219 176.600 0.089 0.000 1.051 88 K CA 1.598 57.969 56.287 0.140 0.000 0.931 88 K CB -0.819 31.744 32.500 0.104 0.000 0.715 88 K HN 0.537 nan 8.250 nan 0.000 0.446 89 A N 1.491 124.319 122.820 0.014 0.000 1.883 89 A HA -0.188 4.139 4.320 0.010 0.000 0.217 89 A C 2.417 179.948 177.584 -0.089 0.000 1.186 89 A CA 2.085 54.104 52.037 -0.030 0.000 0.624 89 A CB -0.868 18.090 19.000 -0.071 0.000 0.822 89 A HN 0.394 nan 8.150 nan 0.000 0.444 90 A N -1.423 121.280 122.820 -0.194 0.000 1.948 90 A HA -0.065 4.261 4.320 0.010 0.000 0.220 90 A C 1.711 179.115 177.584 -0.300 0.000 1.177 90 A CA 1.625 53.467 52.037 -0.325 0.000 0.636 90 A CB -0.699 17.988 19.000 -0.521 0.000 0.815 90 A HN 0.486 nan 8.150 nan 0.000 0.449 91 F N -0.235 119.701 119.950 -0.024 0.000 2.797 91 F HA 0.258 4.791 4.527 0.010 0.000 0.302 91 F C 0.438 176.230 175.800 -0.013 0.000 1.130 91 F CA -0.427 57.563 58.000 -0.017 0.000 1.387 91 F CB 0.139 39.133 39.000 -0.010 0.000 1.107 91 F HN 0.016 nan 8.300 nan 0.000 0.577 92 I N 0.296 120.935 120.570 0.115 0.000 2.359 92 I HA 0.133 4.310 4.170 0.010 0.000 0.294 92 I C 0.654 176.791 176.117 0.033 0.000 0.987 92 I CA -0.327 61.017 61.300 0.074 0.000 1.225 92 I CB 1.197 39.233 38.000 0.061 0.000 1.366 92 I HN -0.068 nan 8.210 nan 0.000 0.466 93 D N 3.449 123.869 120.400 0.034 0.000 2.183 93 D HA -0.087 4.559 4.640 0.010 0.000 0.203 93 D C 1.504 177.804 176.300 0.001 0.000 0.969 93 D CA 1.397 55.405 54.000 0.013 0.000 0.842 93 D CB 0.153 40.963 40.800 0.017 0.000 0.957 93 D HN 0.567 nan 8.370 nan 0.000 0.484 94 N N -0.301 118.409 118.700 0.017 0.000 2.459 94 N HA -0.023 4.723 4.740 0.010 0.000 0.181 94 N C 1.044 176.565 175.510 0.018 0.000 1.046 94 N CA 0.324 53.389 53.050 0.025 0.000 0.904 94 N CB 0.173 38.688 38.487 0.046 0.000 0.964 94 N HN 0.032 nan 8.380 nan 0.000 0.444 95 M N 0.108 119.706 119.600 -0.002 0.000 2.453 95 M HA 0.109 4.596 4.480 0.010 0.000 0.239 95 M C -0.060 176.190 176.300 -0.083 0.000 1.151 95 M CA 0.674 55.950 55.300 -0.041 0.000 0.989 95 M CB -0.366 32.212 32.600 -0.037 0.000 1.548 95 M HN 0.088 nan 8.290 nan 0.000 0.479 96 N N -0.340 118.318 118.700 -0.071 0.000 2.200 96 N HA 0.084 4.830 4.740 0.010 0.000 0.224 96 N C -0.172 175.272 175.510 -0.110 0.000 1.179 96 N CA -0.023 52.969 53.050 -0.098 0.000 0.877 96 N CB 0.766 39.196 38.487 -0.095 0.000 1.072 96 N HN 0.180 nan 8.380 nan 0.000 0.519 97 Q N -0.340 119.410 119.800 -0.083 0.000 2.495 97 Q HA 0.299 4.645 4.340 0.010 0.000 0.283 97 Q C -0.568 175.416 176.000 -0.027 0.000 1.097 97 Q CA -0.774 54.961 55.803 -0.114 0.000 0.836 97 Q CB 0.474 29.172 28.738 -0.066 0.000 1.426 97 Q HN 0.114 nan 8.270 nan 0.000 0.459 98 Y N 0.557 120.875 120.300 0.029 0.000 2.890 98 Y HA 0.056 4.612 4.550 0.010 0.000 0.341 98 Y C 1.175 177.112 175.900 0.060 0.000 1.269 98 Y CA 0.917 59.046 58.100 0.049 0.000 1.517 98 Y CB 0.139 38.638 38.460 0.066 0.000 1.314 98 Y HN 0.466 nan 8.280 nan 0.000 0.622 99 T N 2.082 116.795 114.554 0.265 0.000 2.831 99 T HA 0.380 4.736 4.350 0.010 0.000 0.287 99 T C -0.592 174.175 174.700 0.113 0.000 1.070 99 T CA -1.104 61.118 62.100 0.204 0.000 1.010 99 T CB 0.939 69.982 68.868 0.291 0.000 1.264 99 T HN 0.642 nan 8.240 nan 0.000 0.532 100 R N 0.535 121.081 120.500 0.078 0.000 2.486 100 R HA 0.039 4.385 4.340 0.010 0.000 0.304 100 R C 1.579 177.822 176.300 -0.095 0.000 0.913 100 R CA 0.871 56.949 56.100 -0.037 0.000 1.124 100 R CB -0.202 30.090 30.300 -0.014 0.000 0.891 100 R HN 0.837 nan 8.270 nan 0.000 0.410 101 G N 4.064 112.662 108.800 -0.337 0.000 2.450 101 G HA2 -0.247 3.719 3.960 0.010 0.000 0.220 101 G HA3 -0.247 3.719 3.960 0.010 0.000 0.220 101 G C 0.649 175.474 174.900 -0.125 0.000 1.130 101 G CA 0.424 45.233 45.100 -0.485 0.000 0.760 101 G HN 0.592 nan 8.290 nan 0.000 0.557 102 F N 0.962 120.847 119.950 -0.107 0.000 2.732 102 F HA 0.446 4.980 4.527 0.011 0.000 0.303 102 F C 1.275 177.089 175.800 0.024 0.000 1.110 102 F CA -0.517 57.455 58.000 -0.046 0.000 1.355 102 F CB 0.102 39.073 39.000 -0.049 0.000 1.081 102 F HN 0.242 nan 8.300 nan 0.000 0.565 103 G N -0.415 108.511 108.800 0.209 0.000 2.693 103 G HA2 0.004 3.971 3.960 0.010 0.000 0.290 103 G HA3 0.004 3.971 3.960 0.010 0.000 0.290 103 G C -1.022 173.985 174.900 0.179 0.000 1.378 103 G CA -1.256 43.963 45.100 0.199 0.000 1.120 103 G HN 0.175 nan 8.290 nan 0.000 0.609 104 H N 3.454 122.581 119.070 0.094 0.000 3.203 104 H HA 0.007 4.569 4.556 0.010 0.000 0.288 104 H C -1.346 174.033 175.328 0.084 0.000 0.908 104 H CA 0.830 56.930 56.048 0.086 0.000 1.389 104 H CB 0.984 30.805 29.762 0.097 0.000 1.294 104 H HN 0.240 nan 8.280 nan 0.000 0.559 105 P HA -0.029 nan 4.420 nan 0.000 0.217 105 P C 1.163 178.388 177.300 -0.125 0.000 1.154 105 P CA 1.939 64.950 63.100 -0.149 0.000 0.841 105 P CB 0.025 31.641 31.700 -0.140 0.000 0.790 106 A N -0.131 122.539 122.820 -0.250 0.000 1.958 106 A HA -0.220 4.106 4.320 0.010 0.000 0.221 106 A C 2.098 179.738 177.584 0.094 0.000 1.178 106 A CA 1.781 53.822 52.037 0.007 0.000 0.642 106 A CB -1.677 17.352 19.000 0.049 0.000 0.816 106 A HN 0.175 nan 8.150 nan 0.000 0.453 107 L N 0.322 121.588 121.223 0.072 0.000 2.131 107 L HA -0.029 4.317 4.340 0.010 0.000 0.206 107 L C 2.387 179.233 176.870 -0.039 0.000 1.087 107 L CA 2.258 57.152 54.840 0.090 0.000 0.767 107 L CB -0.488 41.707 42.059 0.227 0.000 0.917 107 L HN 0.369 nan 8.230 nan 0.000 0.441 108 V N -3.286 116.622 119.914 -0.009 0.000 3.041 108 V HA -0.077 4.050 4.120 0.010 0.000 0.260 108 V C 2.469 178.525 176.094 -0.063 0.000 1.105 108 V CA 1.386 63.660 62.300 -0.045 0.000 1.125 108 V CB -0.997 30.834 31.823 0.014 0.000 0.730 108 V HN 0.374 nan 8.190 nan 0.000 0.479 109 K N 1.123 121.514 120.400 -0.014 0.000 2.057 109 K HA 0.126 4.453 4.320 0.010 0.000 0.206 109 K C 2.264 178.837 176.600 -0.045 0.000 1.050 109 K CA 1.615 57.938 56.287 0.061 0.000 0.935 109 K CB -0.541 32.087 32.500 0.213 0.000 0.715 109 K HN 0.547 nan 8.250 nan 0.000 0.439 110 A N 0.629 123.266 122.820 -0.305 0.000 1.872 110 A HA -0.073 4.253 4.320 0.010 0.000 0.214 110 A C 2.074 179.230 177.584 -0.713 0.000 1.187 110 A CA 1.124 52.621 52.037 -0.901 0.000 0.614 110 A CB -0.736 17.585 19.000 -1.132 0.000 0.826 110 A HN 0.251 nan 8.150 nan 0.000 0.442 111 L N 0.128 120.965 121.223 -0.643 0.000 2.051 111 L HA -0.271 4.075 4.340 0.010 0.000 0.214 111 L C 3.015 179.761 176.870 -0.207 0.000 1.076 111 L CA 1.898 56.422 54.840 -0.527 0.000 0.758 111 L CB -0.463 41.290 42.059 -0.509 0.000 0.890 111 L HN 0.598 nan 8.230 nan 0.000 0.433 112 S N -1.136 114.467 115.700 -0.161 0.000 2.371 112 S HA -0.238 4.238 4.470 0.010 0.000 0.224 112 S C 2.221 176.799 174.600 -0.037 0.000 1.029 112 S CA 1.233 59.396 58.200 -0.062 0.000 0.978 112 S CB -0.612 62.568 63.200 -0.034 0.000 0.833 112 S HN 0.591 nan 8.310 nan 0.000 0.466 113 C N 0.832 120.094 119.300 -0.065 0.000 2.435 113 C HA 0.146 4.612 4.460 0.010 0.000 0.279 113 C C 2.469 177.430 174.990 -0.048 0.000 1.321 113 C CA 0.800 59.817 59.018 -0.003 0.000 1.752 113 C CB -1.678 26.136 27.740 0.124 0.000 1.959 113 C HN 0.663 nan 8.230 nan 0.000 0.500 114 L N 0.012 121.122 121.223 -0.189 0.000 2.027 114 L HA 0.012 4.359 4.340 0.010 0.000 0.206 114 L C 2.047 178.804 176.870 -0.188 0.000 1.074 114 L CA 2.151 56.855 54.840 -0.226 0.000 0.745 114 L CB -1.097 40.669 42.059 -0.488 0.000 0.898 114 L HN 0.450 nan 8.230 nan 0.000 0.433 115 Y N -0.862 119.418 120.300 -0.033 0.000 2.517 115 Y HA 0.168 4.723 4.550 0.008 0.000 0.281 115 Y C 2.345 178.326 175.900 0.134 0.000 1.125 115 Y CA 0.724 58.879 58.100 0.091 0.000 1.283 115 Y CB -0.636 37.848 38.460 0.041 0.000 1.042 115 Y HN 0.209 nan 8.280 nan 0.000 0.547 116 G N 0.047 108.931 108.800 0.140 0.000 2.404 116 G HA2 -0.229 3.737 3.960 0.010 0.000 0.215 116 G HA3 -0.229 3.737 3.960 0.010 0.000 0.215 116 G C 1.649 176.619 174.900 0.116 0.000 1.174 116 G CA 0.668 45.825 45.100 0.095 0.000 0.780 116 G HN 0.251 nan 8.290 nan 0.000 0.537 117 K N -0.191 120.266 120.400 0.094 0.000 2.089 117 K HA -0.080 4.247 4.320 0.010 0.000 0.210 117 K C 2.365 179.033 176.600 0.114 0.000 1.048 117 K CA 1.323 57.666 56.287 0.094 0.000 0.926 117 K CB -0.225 32.326 32.500 0.085 0.000 0.714 117 K HN 0.387 nan 8.250 nan 0.000 0.448 118 I N -1.210 119.451 120.570 0.151 0.000 2.333 118 I HA -0.205 3.971 4.170 0.010 0.000 0.246 118 I C 1.526 177.746 176.117 0.172 0.000 1.106 118 I CA 1.025 62.415 61.300 0.150 0.000 1.411 118 I CB -0.080 37.995 38.000 0.125 0.000 1.082 118 I HN 0.133 nan 8.210 nan 0.000 0.420 119 Y N 0.722 121.077 120.300 0.092 0.000 2.583 119 Y HA -0.012 4.546 4.550 0.012 0.000 0.293 119 Y C 0.621 176.528 175.900 0.011 0.000 1.157 119 Y CA -0.068 58.074 58.100 0.071 0.000 1.315 119 Y CB 0.272 38.773 38.460 0.068 0.000 1.021 119 Y HN 0.133 nan 8.280 nan 0.000 0.536 120 Q N 0.742 120.631 119.800 0.148 0.000 2.478 120 Q HA -0.232 4.114 4.340 0.010 0.000 0.286 120 Q C -0.405 175.614 176.000 0.031 0.000 1.299 120 Q CA 1.144 56.989 55.803 0.071 0.000 0.826 120 Q CB -1.639 27.123 28.738 0.040 0.000 1.199 120 Q HN 0.761 nan 8.270 nan 0.000 0.451 121 R N -2.085 118.429 120.500 0.024 0.000 2.712 121 R HA 0.391 4.737 4.340 0.010 0.000 0.272 121 R C -0.994 175.255 176.300 -0.085 0.000 1.032 121 R CA -0.961 55.094 56.100 -0.074 0.000 0.874 121 R CB 0.815 30.992 30.300 -0.206 0.000 1.256 121 R HN -0.071 nan 8.270 nan 0.000 0.468 122 Q N 2.306 122.042 119.800 -0.106 0.000 2.300 122 Q HA 0.225 4.571 4.340 0.010 0.000 0.262 122 Q C -0.207 175.721 176.000 -0.120 0.000 1.109 122 Q CA 0.424 56.178 55.803 -0.082 0.000 0.905 122 Q CB 0.387 29.085 28.738 -0.066 0.000 1.280 122 Q HN 0.391 nan 8.270 nan 0.000 0.426 123 I N 2.156 122.673 120.570 -0.089 0.000 2.336 123 I HA 0.086 4.262 4.170 0.010 0.000 0.292 123 I C 0.384 176.486 176.117 -0.024 0.000 0.991 123 I CA -0.742 60.511 61.300 -0.078 0.000 1.227 123 I CB 1.223 39.166 38.000 -0.096 0.000 1.366 123 I HN 0.343 nan 8.210 nan 0.000 0.466 124 D N 9.681 130.082 120.400 0.002 0.000 2.325 124 D HA 0.132 4.778 4.640 0.010 0.000 0.251 124 D C -1.548 174.761 176.300 0.016 0.000 1.196 124 D CA -2.238 51.771 54.000 0.014 0.000 0.866 124 D CB 1.563 42.380 40.800 0.027 0.000 1.101 124 D HN 0.254 nan 8.370 nan 0.000 0.476 125 P HA -0.067 nan 4.420 nan 0.000 0.223 125 P C 0.468 177.787 177.300 0.031 0.000 1.151 125 P CA 0.663 63.771 63.100 0.012 0.000 0.787 125 P CB 0.577 32.286 31.700 0.015 0.000 0.788 126 N N -0.151 118.575 118.700 0.043 0.000 2.415 126 N HA 0.010 4.756 4.740 0.010 0.000 0.174 126 N C 1.418 176.968 175.510 0.068 0.000 1.048 126 N CA 0.618 53.712 53.050 0.072 0.000 0.895 126 N CB 0.249 38.780 38.487 0.073 0.000 1.036 126 N HN 0.337 nan 8.380 nan 0.000 0.449 127 E N 0.384 120.606 120.200 0.038 0.000 2.490 127 E HA 0.106 4.462 4.350 0.010 0.000 0.209 127 E C 0.296 176.887 176.600 -0.015 0.000 0.971 127 E CA 0.183 56.591 56.400 0.014 0.000 0.988 127 E CB 0.537 30.252 29.700 0.024 0.000 1.029 127 E HN 0.337 nan 8.360 nan 0.000 0.496 128 E N 0.380 120.582 120.200 0.003 0.000 2.562 128 E HA 0.238 4.594 4.350 0.010 0.000 0.214 128 E C 0.084 176.661 176.600 -0.039 0.000 0.979 128 E CA 0.026 56.425 56.400 -0.002 0.000 1.002 128 E CB 1.206 30.970 29.700 0.108 0.000 1.048 128 E HN 0.076 nan 8.360 nan 0.000 0.488 129 I N 1.307 121.859 120.570 -0.029 0.000 2.785 129 I HA 0.443 4.619 4.170 0.010 0.000 0.302 129 I C -1.114 175.000 176.117 -0.006 0.000 1.069 129 I CA -1.394 59.897 61.300 -0.014 0.000 1.045 129 I CB 2.111 40.107 38.000 -0.006 0.000 1.236 129 I HN -0.101 nan 8.210 nan 0.000 0.429 130 L N 5.154 126.394 121.223 0.028 0.000 2.464 130 L HA 0.601 4.947 4.340 0.010 0.000 0.266 130 L C -1.464 175.501 176.870 0.158 0.000 0.965 130 L CA -0.388 54.480 54.840 0.046 0.000 0.833 130 L CB 2.054 44.063 42.059 -0.083 0.000 1.296 130 L HN 0.309 nan 8.230 nan 0.000 0.405 131 V N 4.505 124.544 119.914 0.208 0.000 2.439 131 V HA 0.942 5.068 4.120 0.010 0.000 0.282 131 V C 0.416 176.652 176.094 0.237 0.000 1.039 131 V CA 0.354 62.823 62.300 0.281 0.000 0.913 131 V CB 0.835 32.833 31.823 0.291 0.000 0.983 131 V HN 1.056 nan 8.190 nan 0.000 0.460 132 A N 3.933 126.891 122.820 0.230 0.000 2.530 132 A HA 0.809 5.135 4.320 0.010 0.000 0.288 132 A C -0.798 176.900 177.584 0.190 0.000 1.172 132 A CA -0.621 51.545 52.037 0.215 0.000 0.733 132 A CB 1.775 20.891 19.000 0.194 0.000 1.320 132 A HN 0.549 nan 8.150 nan 0.000 0.419 133 V N 2.279 122.301 119.914 0.181 0.000 2.341 133 V HA 0.472 4.598 4.120 0.010 0.000 0.248 133 V C 1.176 177.334 176.094 0.107 0.000 1.107 133 V CA 1.088 63.447 62.300 0.098 0.000 1.069 133 V CB -1.052 30.748 31.823 -0.039 0.000 1.177 133 V HN 2.050 nan 8.190 nan 0.000 0.492 134 G N 4.517 113.375 108.800 0.097 0.000 2.915 134 G HA2 0.015 3.982 3.960 0.010 0.000 0.337 134 G HA3 0.015 3.982 3.960 0.010 0.000 0.337 134 G C 0.921 175.829 174.900 0.013 0.000 1.477 134 G CA -0.081 45.054 45.100 0.059 0.000 0.916 134 G HN 1.269 nan 8.290 nan 0.000 0.550 135 A N -0.614 122.151 122.820 -0.092 0.000 1.948 135 A HA -0.099 4.227 4.320 0.010 0.000 0.220 135 A C 2.121 179.726 177.584 0.036 0.000 1.177 135 A CA 2.740 54.704 52.037 -0.122 0.000 0.636 135 A CB -0.628 18.241 19.000 -0.219 0.000 0.815 135 A HN 1.446 nan 8.150 nan 0.000 0.449 136 Y N 0.377 120.682 120.300 0.008 0.000 2.114 136 Y HA -0.175 4.381 4.550 0.011 0.000 0.282 136 Y C 2.588 178.574 175.900 0.142 0.000 1.165 136 Y CA 1.794 59.957 58.100 0.104 0.000 1.148 136 Y CB -0.606 37.917 38.460 0.104 0.000 0.972 136 Y HN 0.286 nan 8.280 nan 0.000 0.504 137 G N -1.968 107.020 108.800 0.314 0.000 2.421 137 G HA2 -0.178 3.788 3.960 0.010 0.000 0.217 137 G HA3 -0.178 3.788 3.960 0.010 0.000 0.217 137 G C 1.792 176.866 174.900 0.290 0.000 1.143 137 G CA 0.871 46.181 45.100 0.351 0.000 0.784 137 G HN 0.418 nan 8.290 nan 0.000 0.541 138 S N 0.771 116.557 115.700 0.144 0.000 2.359 138 S HA -0.085 4.391 4.470 0.010 0.000 0.224 138 S C 2.269 176.878 174.600 0.016 0.000 1.035 138 S CA 0.998 59.228 58.200 0.050 0.000 1.018 138 S CB -0.301 62.875 63.200 -0.040 0.000 0.876 138 S HN 0.305 nan 8.310 nan 0.000 0.448 139 L N 0.010 121.241 121.223 0.014 0.000 2.046 139 L HA -0.087 4.260 4.340 0.010 0.000 0.208 139 L C 2.277 179.153 176.870 0.009 0.000 1.077 139 L CA 1.325 56.145 54.840 -0.033 0.000 0.747 139 L CB -0.529 41.508 42.059 -0.036 0.000 0.896 139 L HN 0.248 nan 8.230 nan 0.000 0.432 140 F N 1.232 121.162 119.950 -0.034 0.000 2.126 140 F HA -0.251 4.282 4.527 0.011 0.000 0.299 140 F C 2.395 178.186 175.800 -0.015 0.000 1.096 140 F CA 1.645 59.646 58.000 0.002 0.000 1.255 140 F CB -0.378 38.681 39.000 0.098 0.000 0.997 140 F HN 0.107 nan 8.300 nan 0.000 0.479 141 N N 0.219 118.883 118.700 -0.059 0.000 2.104 141 N HA -0.165 4.581 4.740 0.010 0.000 0.190 141 N C 2.062 177.427 175.510 -0.242 0.000 1.024 141 N CA 1.664 54.604 53.050 -0.182 0.000 0.853 141 N CB -0.717 37.750 38.487 -0.033 0.000 1.008 141 N HN 0.277 nan 8.380 nan 0.000 0.424 142 S N 0.780 116.370 115.700 -0.184 0.000 2.382 142 S HA 0.031 4.508 4.470 0.010 0.000 0.228 142 S C 2.087 176.556 174.600 -0.218 0.000 1.027 142 S CA 0.622 58.711 58.200 -0.186 0.000 0.991 142 S CB -0.030 63.068 63.200 -0.169 0.000 0.823 142 S HN 0.273 nan 8.310 nan 0.000 0.469 143 I N 1.241 121.660 120.570 -0.252 0.000 2.235 143 I HA -0.121 4.056 4.170 0.010 0.000 0.241 143 I C 2.643 178.581 176.117 -0.299 0.000 1.085 143 I CA 0.864 62.014 61.300 -0.251 0.000 1.378 143 I CB -0.357 37.522 38.000 -0.202 0.000 1.076 143 I HN 0.208 nan 8.210 nan 0.000 0.415 144 Q N 0.537 120.058 119.800 -0.465 0.000 2.181 144 Q HA -0.157 4.189 4.340 0.010 0.000 0.205 144 Q C 2.064 177.886 176.000 -0.297 0.000 0.980 144 Q CA 1.796 57.330 55.803 -0.449 0.000 0.862 144 Q CB -0.450 27.831 28.738 -0.761 0.000 0.905 144 Q HN 0.605 nan 8.270 nan 0.000 0.429 145 G N -1.127 107.512 108.800 -0.269 0.000 3.088 145 G HA2 0.211 4.178 3.960 0.010 0.000 0.217 145 G HA3 0.211 4.178 3.960 0.010 0.000 0.217 145 G C 1.154 175.940 174.900 -0.191 0.000 1.159 145 G CA -0.107 44.879 45.100 -0.189 0.000 0.760 145 G HN 0.210 nan 8.290 nan 0.000 0.550 146 L N -0.327 120.777 121.223 -0.198 0.000 3.076 146 L HA 0.306 4.652 4.340 0.010 0.000 0.271 146 L C -0.258 176.508 176.870 -0.174 0.000 1.152 146 L CA 0.116 54.840 54.840 -0.192 0.000 0.996 146 L CB 1.377 43.337 42.059 -0.164 0.000 1.453 146 L HN -0.134 nan 8.230 nan 0.000 0.571 147 V N 0.824 120.634 119.914 -0.172 0.000 2.417 147 V HA 0.345 4.471 4.120 0.010 0.000 0.291 147 V C -0.588 175.425 176.094 -0.134 0.000 1.024 147 V CA -0.671 61.538 62.300 -0.152 0.000 0.861 147 V CB 1.997 33.725 31.823 -0.159 0.000 0.985 147 V HN 0.034 nan 8.190 nan 0.000 0.436 148 D N 5.091 125.421 120.400 -0.116 0.000 2.332 148 D HA 0.388 5.035 4.640 0.010 0.000 0.252 148 D C -2.563 173.687 176.300 -0.083 0.000 1.050 148 D CA -1.443 52.500 54.000 -0.096 0.000 0.970 148 D CB 1.990 42.738 40.800 -0.087 0.000 1.141 148 D HN 0.256 nan 8.370 nan 0.000 0.485 149 P HA 0.068 nan 4.420 nan 0.000 0.264 149 P C 0.758 178.023 177.300 -0.058 0.000 1.183 149 P CA 0.760 63.826 63.100 -0.057 0.000 0.763 149 P CB 0.489 32.163 31.700 -0.043 0.000 0.807 150 G N 2.052 110.815 108.800 -0.060 0.000 2.253 150 G HA2 -0.214 3.753 3.960 0.010 0.000 0.251 150 G HA3 -0.214 3.753 3.960 0.010 0.000 0.251 150 G C 0.063 174.919 174.900 -0.073 0.000 0.998 150 G CA -0.180 44.884 45.100 -0.059 0.000 0.621 150 G HN 0.506 nan 8.290 nan 0.000 0.524 151 D N 1.435 121.783 120.400 -0.085 0.000 2.400 151 D HA 0.388 5.034 4.640 0.010 0.000 0.238 151 D C 0.690 176.914 176.300 -0.128 0.000 1.157 151 D CA 0.476 54.414 54.000 -0.103 0.000 0.889 151 D CB 0.583 41.316 40.800 -0.113 0.000 1.199 151 D HN 0.556 nan 8.370 nan 0.000 0.436 152 E N 0.076 120.186 120.200 -0.149 0.000 2.216 152 E HA 0.429 4.785 4.350 0.010 0.000 0.279 152 E C -0.835 175.618 176.600 -0.244 0.000 0.997 152 E CA -0.726 55.556 56.400 -0.196 0.000 0.817 152 E CB 1.664 31.246 29.700 -0.197 0.000 1.096 152 E HN 0.059 nan 8.360 nan 0.000 0.393 153 V N 4.754 124.497 119.914 -0.285 0.000 2.487 153 V HA 0.351 4.477 4.120 0.010 0.000 0.298 153 V C -0.120 175.743 176.094 -0.385 0.000 1.028 153 V CA -0.707 61.403 62.300 -0.317 0.000 0.860 153 V CB 1.436 33.087 31.823 -0.285 0.000 0.991 153 V HN 0.605 nan 8.190 nan 0.000 0.427 154 I N 5.528 125.857 120.570 -0.402 0.000 2.395 154 I HA 0.463 4.640 4.170 0.010 0.000 0.289 154 I C -0.466 175.468 176.117 -0.306 0.000 1.023 154 I CA -0.069 60.994 61.300 -0.394 0.000 1.350 154 I CB 1.123 38.834 38.000 -0.482 0.000 1.409 154 I HN 0.438 nan 8.210 nan 0.000 0.507 155 I N 6.186 126.610 120.570 -0.244 0.000 2.582 155 I HA 0.342 4.519 4.170 0.010 0.000 0.292 155 I C -0.488 175.708 176.117 0.131 0.000 1.066 155 I CA -0.570 60.668 61.300 -0.104 0.000 1.053 155 I CB 2.176 40.050 38.000 -0.211 0.000 1.241 155 I HN 0.445 nan 8.210 nan 0.000 0.421 156 M N 5.581 125.314 119.600 0.221 0.000 2.146 156 M HA 0.361 4.847 4.480 0.010 0.000 0.357 156 M C -0.715 175.877 176.300 0.486 0.000 1.261 156 M CA -0.584 54.916 55.300 0.333 0.000 1.106 156 M CB 1.274 34.065 32.600 0.318 0.000 1.612 156 M HN 0.222 nan 8.290 nan 0.000 0.470 157 V N 6.196 126.358 119.914 0.412 0.000 2.509 157 V HA 0.379 4.505 4.120 0.010 0.000 0.284 157 V C -1.920 174.169 176.094 -0.008 0.000 1.047 157 V CA -1.583 60.894 62.300 0.295 0.000 0.952 157 V CB 1.083 33.057 31.823 0.252 0.000 0.988 157 V HN 0.661 nan 8.190 nan 0.000 0.469 158 P HA 0.303 nan 4.420 nan 0.000 0.272 158 P C -1.100 176.258 177.300 0.098 0.000 1.240 158 P CA 0.026 62.955 63.100 -0.285 0.000 0.791 158 P CB 0.493 31.917 31.700 -0.460 0.000 0.978 159 F N -1.937 118.045 119.950 0.053 0.000 2.601 159 F HA 0.500 5.033 4.527 0.010 0.000 0.309 159 F C -0.706 175.043 175.800 -0.084 0.000 1.089 159 F CA -1.870 56.125 58.000 -0.009 0.000 0.940 159 F CB 0.417 39.520 39.000 0.173 0.000 1.273 159 F HN 0.166 nan 8.300 nan 0.000 0.450 160 Y N 3.506 123.583 120.300 -0.373 0.000 2.712 160 Y HA 0.069 4.626 4.550 0.011 0.000 0.333 160 Y C 1.513 177.268 175.900 -0.241 0.000 1.225 160 Y CA 0.041 57.914 58.100 -0.378 0.000 1.499 160 Y CB 0.623 38.689 38.460 -0.656 0.000 1.288 160 Y HN 0.772 nan 8.280 nan 0.000 0.575 161 D N 3.013 123.134 120.400 -0.465 0.000 2.347 161 D HA -0.147 4.500 4.640 0.010 0.000 0.213 161 D C 2.003 178.261 176.300 -0.071 0.000 0.985 161 D CA 0.893 54.799 54.000 -0.157 0.000 0.879 161 D CB -1.245 39.390 40.800 -0.275 0.000 0.919 161 D HN 0.608 nan 8.370 nan 0.000 0.526 162 C N -0.079 119.044 119.300 -0.296 0.000 2.419 162 C HA -0.075 4.391 4.460 0.010 0.000 0.283 162 C C 2.308 177.373 174.990 0.125 0.000 1.373 162 C CA -0.031 58.928 59.018 -0.097 0.000 1.781 162 C CB -1.618 25.910 27.740 -0.353 0.000 1.886 162 C HN 0.135 nan 8.230 nan 0.000 0.520 163 Y N 1.803 122.152 120.300 0.082 0.000 2.165 163 Y HA -0.080 4.476 4.550 0.011 0.000 0.286 163 Y C 2.706 178.549 175.900 -0.096 0.000 1.155 163 Y CA 1.723 59.806 58.100 -0.029 0.000 1.164 163 Y CB -1.234 37.181 38.460 -0.075 0.000 0.978 163 Y HN 0.553 nan 8.280 nan 0.000 0.513 164 E N -0.131 120.132 120.200 0.104 0.000 2.028 164 E HA -0.151 4.205 4.350 0.010 0.000 0.191 164 E C -0.655 175.997 176.600 0.087 0.000 0.988 164 E CA 1.170 57.608 56.400 0.063 0.000 0.799 164 E CB -0.738 29.087 29.700 0.209 0.000 0.755 164 E HN 0.241 nan 8.360 nan 0.000 0.447 165 P HA -0.153 nan 4.420 nan 0.000 0.217 165 P C 1.486 178.837 177.300 0.085 0.000 1.150 165 P CA 1.407 64.564 63.100 0.096 0.000 0.832 165 P CB -0.150 31.612 31.700 0.102 0.000 0.787 166 M N -0.386 119.268 119.600 0.089 0.000 2.065 166 M HA -0.159 4.327 4.480 0.010 0.000 0.259 166 M C 2.299 178.612 176.300 0.021 0.000 1.071 166 M CA 2.036 57.392 55.300 0.092 0.000 1.109 166 M CB -1.330 31.328 32.600 0.096 0.000 1.313 166 M HN -0.161 nan 8.290 nan 0.000 0.408 167 V N 0.518 120.415 119.914 -0.029 0.000 2.250 167 V HA -0.362 3.764 4.120 0.010 0.000 0.250 167 V C 2.205 178.268 176.094 -0.052 0.000 1.060 167 V CA 2.237 64.491 62.300 -0.078 0.000 1.030 167 V CB -0.598 31.136 31.823 -0.147 0.000 0.643 167 V HN 0.462 nan 8.190 nan 0.000 0.445 168 R N -0.882 119.606 120.500 -0.021 0.000 2.091 168 R HA -0.171 4.175 4.340 0.010 0.000 0.238 168 R C 2.466 178.773 176.300 0.012 0.000 1.136 168 R CA 2.276 58.375 56.100 -0.002 0.000 0.959 168 R CB -0.505 29.812 30.300 0.029 0.000 0.856 168 R HN 0.681 nan 8.270 nan 0.000 0.437 169 M N 0.146 119.768 119.600 0.037 0.000 2.213 169 M HA -0.098 4.388 4.480 0.010 0.000 0.263 169 M C 1.802 178.117 176.300 0.026 0.000 1.062 169 M CA 1.753 57.086 55.300 0.055 0.000 1.105 169 M CB 0.040 32.709 32.600 0.114 0.000 1.385 169 M HN 0.160 nan 8.290 nan 0.000 0.417 170 A N -0.168 122.646 122.820 -0.010 0.000 2.239 170 A HA 0.273 4.599 4.320 0.010 0.000 0.209 170 A C 1.573 179.127 177.584 -0.050 0.000 1.171 170 A CA 0.740 52.747 52.037 -0.050 0.000 0.768 170 A CB -1.352 17.589 19.000 -0.098 0.000 0.790 170 A HN 0.845 nan 8.150 nan 0.000 0.478 171 G N -1.943 106.836 108.800 -0.034 0.000 2.168 171 G HA2 0.007 3.973 3.960 0.010 0.000 0.257 171 G HA3 0.007 3.973 3.960 0.010 0.000 0.257 171 G C 0.501 175.368 174.900 -0.055 0.000 0.997 171 G CA 0.674 45.752 45.100 -0.036 0.000 0.708 171 G HN 1.541 nan 8.290 nan 0.000 0.520 172 A N -1.223 121.553 122.820 -0.074 0.000 2.240 172 A HA 0.827 5.154 4.320 0.010 0.000 0.292 172 A C 0.310 177.830 177.584 -0.106 0.000 1.121 172 A CA 0.128 52.107 52.037 -0.097 0.000 0.851 172 A CB 1.263 20.190 19.000 -0.123 0.000 1.167 172 A HN 1.118 nan 8.150 nan 0.000 0.503 173 V N 2.421 122.255 119.914 -0.134 0.000 2.334 173 V HA 0.339 4.466 4.120 0.010 0.000 0.281 173 V C -2.308 173.639 176.094 -0.244 0.000 1.016 173 V CA -1.497 60.713 62.300 -0.150 0.000 0.832 173 V CB 1.273 33.025 31.823 -0.118 0.000 0.999 173 V HN 0.772 nan 8.190 nan 0.000 0.439 174 P HA 0.148 nan 4.420 nan 0.000 0.271 174 P C -0.657 176.199 177.300 -0.740 0.000 1.226 174 P CA 0.149 62.893 63.100 -0.593 0.000 0.765 174 P CB 1.302 32.572 31.700 -0.717 0.000 0.835 175 V N 5.489 124.993 119.914 -0.684 0.000 2.384 175 V HA 0.355 4.481 4.120 0.010 0.000 0.287 175 V C 0.009 175.790 176.094 -0.521 0.000 1.020 175 V CA -0.344 61.645 62.300 -0.518 0.000 0.850 175 V CB 0.560 32.190 31.823 -0.322 0.000 0.987 175 V HN 0.325 nan 8.190 nan 0.000 0.436 176 F N 5.413 125.339 119.950 -0.040 0.000 2.458 176 F HA 0.775 5.309 4.527 0.010 0.000 0.330 176 F C 0.055 175.881 175.800 0.043 0.000 1.082 176 F CA -1.035 56.971 58.000 0.009 0.000 0.995 176 F CB 1.792 40.838 39.000 0.077 0.000 1.170 176 F HN 0.447 nan 8.300 nan 0.000 0.478 177 I N 2.812 123.557 120.570 0.292 0.000 2.611 177 I HA 0.518 4.694 4.170 0.010 0.000 0.287 177 I C -3.022 173.257 176.117 0.270 0.000 1.184 177 I CA -2.242 59.194 61.300 0.227 0.000 1.054 177 I CB 2.348 40.432 38.000 0.140 0.000 1.257 177 I HN 0.193 nan 8.210 nan 0.000 0.435 178 P HA 0.240 nan 4.420 nan 0.000 0.275 178 P C -0.557 176.971 177.300 0.381 0.000 1.227 178 P CA -0.138 63.183 63.100 0.368 0.000 0.781 178 P CB 1.125 33.057 31.700 0.386 0.000 0.906 179 L N 3.626 125.104 121.223 0.424 0.000 2.456 179 L HA 0.195 4.541 4.340 0.010 0.000 0.272 179 L C 1.255 178.506 176.870 0.634 0.000 1.189 179 L CA 0.267 55.384 54.840 0.461 0.000 0.846 179 L CB 0.073 42.327 42.059 0.324 0.000 1.111 179 L HN 0.371 nan 8.230 nan 0.000 0.475 180 R N 1.389 122.181 120.500 0.485 0.000 2.807 180 R HA 0.471 4.817 4.340 0.010 0.000 0.276 180 R C -0.957 175.325 176.300 -0.029 0.000 0.979 180 R CA -0.772 55.483 56.100 0.259 0.000 0.928 180 R CB 2.016 32.384 30.300 0.113 0.000 1.191 180 R HN 0.512 nan 8.270 nan 0.000 0.471 181 S N 1.290 116.710 115.700 -0.466 0.000 2.562 181 S HA 0.294 4.770 4.470 0.010 0.000 0.275 181 S C -0.246 174.145 174.600 -0.349 0.000 1.281 181 S CA -0.675 57.083 58.200 -0.737 0.000 1.045 181 S CB 1.033 63.734 63.200 -0.832 0.000 0.962 181 S HN 0.317 nan 8.310 nan 0.000 0.503 182 K N 1.368 121.602 120.400 -0.277 0.000 2.166 182 K HA 0.458 4.785 4.320 0.010 0.000 0.245 182 K C -2.646 173.845 176.600 -0.180 0.000 0.967 182 K CA -2.205 53.979 56.287 -0.172 0.000 0.863 182 K CB 0.472 32.905 32.500 -0.111 0.000 1.107 182 K HN 0.296 nan 8.250 nan 0.000 0.436 183 P HA -0.083 nan 4.420 nan 0.000 0.265 183 P C -0.407 176.824 177.300 -0.114 0.000 1.187 183 P CA 0.259 63.273 63.100 -0.144 0.000 0.766 183 P CB 0.539 32.173 31.700 -0.109 0.000 0.820 184 T N 0.725 115.199 114.554 -0.133 0.000 2.816 184 T HA 0.087 4.443 4.350 0.010 0.000 0.282 184 T C 0.976 175.647 174.700 -0.048 0.000 0.993 184 T CA -0.413 61.645 62.100 -0.071 0.000 0.994 184 T CB 0.194 68.994 68.868 -0.113 0.000 1.025 184 T HN 0.469 nan 8.240 nan 0.000 0.529 185 D N -0.102 120.292 120.400 -0.011 0.000 2.358 185 D HA 0.185 4.831 4.640 0.010 0.000 0.241 185 D C 1.355 177.642 176.300 -0.022 0.000 1.094 185 D CA 0.930 54.922 54.000 -0.012 0.000 0.907 185 D CB -0.617 40.187 40.800 0.007 0.000 0.893 185 D HN 0.845 nan 8.370 nan 0.000 0.528 186 G N 0.009 108.786 108.800 -0.038 0.000 2.420 186 G HA2 -0.410 3.556 3.960 0.010 0.000 0.221 186 G HA3 -0.410 3.556 3.960 0.010 0.000 0.221 186 G C 1.103 175.983 174.900 -0.033 0.000 1.117 186 G CA 0.384 45.457 45.100 -0.045 0.000 0.657 186 G HN 0.362 nan 8.290 nan 0.000 0.512 187 M N -0.389 119.204 119.600 -0.012 0.000 2.216 187 M HA 0.392 4.878 4.480 0.010 0.000 0.264 187 M C 1.002 177.313 176.300 0.019 0.000 1.080 187 M CA 1.316 56.616 55.300 -0.001 0.000 1.153 187 M CB 0.206 32.808 32.600 0.004 0.000 1.356 187 M HN 0.099 nan 8.290 nan 0.000 0.432 188 K N -1.180 119.250 120.400 0.050 0.000 2.498 188 K HA 0.205 4.531 4.320 0.010 0.000 0.254 188 K C -1.944 174.775 176.600 0.198 0.000 0.933 188 K CA -0.436 55.912 56.287 0.101 0.000 0.806 188 K CB 1.322 33.875 32.500 0.089 0.000 1.301 188 K HN -0.012 nan 8.250 nan 0.000 0.432 189 W N 3.558 124.866 121.300 0.013 0.000 2.303 189 W HA 0.302 4.967 4.660 0.009 0.000 0.318 189 W C -0.091 176.478 176.519 0.084 0.000 1.362 189 W CA -0.007 57.364 57.345 0.044 0.000 1.234 189 W CB 0.297 29.793 29.460 0.059 0.000 1.248 189 W HN 0.564 nan 8.180 nan 0.000 0.546 190 T N 0.832 115.577 114.554 0.318 0.000 2.896 190 T HA 0.329 4.685 4.350 0.010 0.000 0.297 190 T C 0.849 175.643 174.700 0.157 0.000 1.108 190 T CA -0.437 61.758 62.100 0.159 0.000 1.004 190 T CB 1.549 70.521 68.868 0.173 0.000 1.159 190 T HN 0.203 nan 8.240 nan 0.000 0.499 191 S N 1.186 116.938 115.700 0.085 0.000 2.407 191 S HA -0.135 4.341 4.470 0.010 0.000 0.235 191 S C 1.978 176.675 174.600 0.162 0.000 1.036 191 S CA 1.890 60.139 58.200 0.082 0.000 1.013 191 S CB -0.643 62.537 63.200 -0.034 0.000 0.820 191 S HN 0.834 nan 8.310 nan 0.000 0.476 192 S N 1.468 117.247 115.700 0.132 0.000 2.607 192 S HA 0.017 4.494 4.470 0.010 0.000 0.224 192 S C 0.707 175.389 174.600 0.137 0.000 0.969 192 S CA 0.332 58.605 58.200 0.122 0.000 0.927 192 S CB -0.151 63.140 63.200 0.151 0.000 0.772 192 S HN 0.468 nan 8.310 nan 0.000 0.533 193 D N 0.324 120.842 120.400 0.197 0.000 2.352 193 D HA 0.052 4.698 4.640 0.010 0.000 0.232 193 D C -0.562 175.712 176.300 -0.044 0.000 1.055 193 D CA 0.360 54.423 54.000 0.105 0.000 0.891 193 D CB 0.101 41.021 40.800 0.200 0.000 0.897 193 D HN 0.466 nan 8.370 nan 0.000 0.529 194 W N 0.085 121.403 121.300 0.030 0.000 2.632 194 W HA 0.418 5.083 4.660 0.008 0.000 0.328 194 W C 0.592 177.069 176.519 -0.070 0.000 1.044 194 W CA -0.442 56.907 57.345 0.008 0.000 1.225 194 W CB 1.906 31.351 29.460 -0.025 0.000 1.396 194 W HN -0.425 nan 8.180 nan 0.000 0.499 195 T N 1.792 116.449 114.554 0.171 0.000 2.645 195 T HA 0.657 5.013 4.350 0.010 0.000 0.300 195 T C -1.641 173.113 174.700 0.090 0.000 1.210 195 T CA -0.622 61.474 62.100 -0.007 0.000 1.034 195 T CB 0.403 69.188 68.868 -0.140 0.000 1.537 195 T HN 0.193 nan 8.240 nan 0.000 0.492 196 F N 0.363 120.350 119.950 0.061 0.000 2.598 196 F HA 0.805 5.336 4.527 0.006 0.000 0.327 196 F C -0.432 175.418 175.800 0.083 0.000 1.057 196 F CA -1.219 56.843 58.000 0.103 0.000 0.957 196 F CB 0.720 39.806 39.000 0.143 0.000 1.278 196 F HN 0.328 nan 8.300 nan 0.000 0.484 197 D N 1.915 122.491 120.400 0.293 0.000 2.347 197 D HA 0.361 5.007 4.640 0.010 0.000 0.235 197 D C -1.979 174.493 176.300 0.286 0.000 1.149 197 D CA -2.662 51.444 54.000 0.176 0.000 0.850 197 D CB 1.652 42.531 40.800 0.132 0.000 1.061 197 D HN 0.168 nan 8.370 nan 0.000 0.487 198 P HA -0.093 nan 4.420 nan 0.000 0.216 198 P C 1.244 178.662 177.300 0.198 0.000 1.150 198 P CA 1.043 64.305 63.100 0.270 0.000 0.837 198 P CB 0.313 32.093 31.700 0.133 0.000 0.786 199 R N -0.587 119.994 120.500 0.135 0.000 2.115 199 R HA -0.091 4.255 4.340 0.010 0.000 0.226 199 R C 2.342 178.713 176.300 0.119 0.000 1.100 199 R CA 0.988 57.151 56.100 0.105 0.000 0.980 199 R CB -0.343 30.001 30.300 0.073 0.000 0.875 199 R HN 0.297 nan 8.270 nan 0.000 0.445 200 E N 0.593 120.878 120.200 0.142 0.000 2.046 200 E HA -0.193 4.163 4.350 0.010 0.000 0.190 200 E C 1.870 178.563 176.600 0.154 0.000 0.982 200 E CA 0.749 57.232 56.400 0.138 0.000 0.800 200 E CB 0.056 29.842 29.700 0.144 0.000 0.756 200 E HN 0.074 nan 8.360 nan 0.000 0.449 201 L N 1.996 123.339 121.223 0.200 0.000 1.990 201 L HA -0.259 4.087 4.340 0.010 0.000 0.213 201 L C 2.361 179.396 176.870 0.274 0.000 1.072 201 L CA 2.605 57.569 54.840 0.207 0.000 0.755 201 L CB -0.778 41.398 42.059 0.196 0.000 0.889 201 L HN 0.231 nan 8.230 nan 0.000 0.432 202 E N -0.818 119.501 120.200 0.197 0.000 2.130 202 E HA -0.263 4.093 4.350 0.010 0.000 0.196 202 E C 2.013 178.725 176.600 0.187 0.000 0.998 202 E CA 1.686 58.175 56.400 0.148 0.000 0.806 202 E CB -0.288 29.459 29.700 0.079 0.000 0.738 202 E HN 0.682 nan 8.360 nan 0.000 0.459 203 S N -0.915 114.874 115.700 0.148 0.000 2.562 203 S HA 0.053 4.529 4.470 0.010 0.000 0.221 203 S C 1.388 176.041 174.600 0.088 0.000 0.975 203 S CA -0.016 58.249 58.200 0.109 0.000 0.918 203 S CB 0.114 63.365 63.200 0.084 0.000 0.772 203 S HN 0.097 nan 8.310 nan 0.000 0.531 204 K N 0.608 121.065 120.400 0.095 0.000 2.459 204 K HA 0.273 4.600 4.320 0.010 0.000 0.193 204 K C -0.484 176.034 176.600 -0.137 0.000 1.030 204 K CA 0.013 56.281 56.287 -0.031 0.000 1.026 204 K CB -0.319 32.120 32.500 -0.100 0.000 0.809 204 K HN 0.442 nan 8.250 nan 0.000 0.504 205 F N 1.016 120.854 119.950 -0.187 0.000 2.385 205 F HA 0.135 4.672 4.527 0.016 0.000 0.336 205 F C 1.191 176.791 175.800 -0.333 0.000 1.100 205 F CA -0.181 57.596 58.000 -0.372 0.000 1.116 205 F CB 1.247 39.843 39.000 -0.675 0.000 1.166 205 F HN -0.089 nan 8.300 nan 0.000 0.511 206 S N -0.572 115.049 115.700 -0.131 0.000 2.873 206 S HA 0.299 4.776 4.470 0.010 0.000 0.303 206 S C 0.096 174.740 174.600 0.074 0.000 1.222 206 S CA -0.105 58.108 58.200 0.023 0.000 0.923 206 S CB 0.936 64.136 63.200 0.000 0.000 1.286 206 S HN 0.473 nan 8.310 nan 0.000 0.571 207 S N -0.401 115.353 115.700 0.089 0.000 2.556 207 S HA 0.292 4.769 4.470 0.010 0.000 0.216 207 S C 0.743 175.361 174.600 0.030 0.000 0.970 207 S CA -0.423 57.837 58.200 0.099 0.000 0.912 207 S CB -0.330 62.918 63.200 0.080 0.000 0.790 207 S HN 0.528 nan 8.310 nan 0.000 0.504 208 K N 1.295 121.686 120.400 -0.014 0.000 2.354 208 K HA 0.144 4.471 4.320 0.010 0.000 0.194 208 K C -0.093 176.456 176.600 -0.086 0.000 1.045 208 K CA 0.196 56.453 56.287 -0.049 0.000 1.026 208 K CB 0.067 32.530 32.500 -0.062 0.000 0.866 208 K HN 0.315 nan 8.250 nan 0.000 0.530 209 T N 2.732 117.220 114.554 -0.111 0.000 2.792 209 T HA -0.003 4.353 4.350 0.010 0.000 0.286 209 T C 1.126 175.756 174.700 -0.117 0.000 0.970 209 T CA 0.488 62.477 62.100 -0.186 0.000 1.187 209 T CB 1.027 69.719 68.868 -0.293 0.000 0.915 209 T HN 0.045 nan 8.240 nan 0.000 0.529 210 K N 2.400 122.716 120.400 -0.139 0.000 2.166 210 K HA 0.399 4.726 4.320 0.010 0.000 0.201 210 K C 0.487 177.020 176.600 -0.111 0.000 1.052 210 K CA 0.575 56.797 56.287 -0.107 0.000 0.969 210 K CB 0.368 32.794 32.500 -0.122 0.000 0.761 210 K HN 0.767 nan 8.250 nan 0.000 0.459 211 A N -0.290 122.427 122.820 -0.171 0.000 2.601 211 A HA 0.554 4.880 4.320 0.010 0.000 0.291 211 A C -1.756 175.676 177.584 -0.255 0.000 1.075 211 A CA -0.737 51.196 52.037 -0.173 0.000 0.671 211 A CB 0.735 19.630 19.000 -0.175 0.000 1.277 211 A HN 0.181 nan 8.150 nan 0.000 0.417 212 I N 0.920 121.357 120.570 -0.221 0.000 2.509 212 I HA 0.653 4.829 4.170 0.010 0.000 0.293 212 I C -1.295 174.678 176.117 -0.239 0.000 1.020 212 I CA -1.225 59.923 61.300 -0.253 0.000 1.088 212 I CB 1.316 39.203 38.000 -0.188 0.000 1.267 212 I HN 0.587 nan 8.210 nan 0.000 0.430 213 I N 7.718 128.114 120.570 -0.289 0.000 2.331 213 I HA 0.301 4.477 4.170 0.010 0.000 0.292 213 I C -0.916 175.032 176.117 -0.281 0.000 0.998 213 I CA -0.693 60.386 61.300 -0.368 0.000 1.267 213 I CB 1.609 39.239 38.000 -0.617 0.000 1.386 213 I HN 0.383 nan 8.210 nan 0.000 0.476 214 L N 7.860 128.926 121.223 -0.263 0.000 2.356 214 L HA 0.492 4.839 4.340 0.010 0.000 0.277 214 L C -0.840 175.904 176.870 -0.210 0.000 0.996 214 L CA -0.094 54.605 54.840 -0.236 0.000 0.822 214 L CB 1.558 43.456 42.059 -0.268 0.000 1.256 214 L HN 0.642 nan 8.230 nan 0.000 0.413 215 N N 3.152 121.762 118.700 -0.150 0.000 2.491 215 N HA 0.440 5.186 4.740 0.010 0.000 0.274 215 N C -1.631 173.849 175.510 -0.050 0.000 1.023 215 N CA -0.122 52.888 53.050 -0.067 0.000 0.902 215 N CB 1.347 39.869 38.487 0.058 0.000 1.267 215 N HN 0.732 nan 8.380 nan 0.000 0.503 216 T N 3.298 117.830 114.554 -0.037 0.000 3.032 216 T HA 0.397 4.753 4.350 0.010 0.000 0.312 216 T C -2.913 171.891 174.700 0.174 0.000 1.078 216 T CA -1.187 60.955 62.100 0.069 0.000 1.028 216 T CB 1.499 70.332 68.868 -0.059 0.000 1.091 216 T HN 0.290 nan 8.240 nan 0.000 0.457 217 P HA 0.036 nan 4.420 nan 0.000 0.266 217 P C -0.538 176.883 177.300 0.202 0.000 1.186 217 P CA -0.006 63.202 63.100 0.179 0.000 0.767 217 P CB 0.196 31.946 31.700 0.083 0.000 0.820 218 H N 3.293 122.433 119.070 0.117 0.000 2.652 218 H HA 0.157 4.719 4.556 0.009 0.000 0.349 218 H C -0.233 175.082 175.328 -0.021 0.000 1.099 218 H CA 0.298 56.401 56.048 0.092 0.000 1.417 218 H CB 0.477 30.322 29.762 0.139 0.000 1.457 218 H HN 0.259 nan 8.280 nan 0.000 0.568 219 N N 5.514 124.030 118.700 -0.307 0.000 2.372 219 N HA 0.175 4.921 4.740 0.010 0.000 0.285 219 N C -2.334 172.816 175.510 -0.601 0.000 1.008 219 N CA -2.224 50.639 53.050 -0.312 0.000 0.880 219 N CB 1.899 40.313 38.487 -0.121 0.000 1.239 219 N HN 0.371 nan 8.380 nan 0.000 0.484 220 P HA 0.172 nan 4.420 nan 0.000 0.266 220 P C 0.920 178.107 177.300 -0.187 0.000 1.381 220 P CA 0.085 62.870 63.100 -0.525 0.000 0.940 220 P CB 0.527 31.693 31.700 -0.891 0.000 1.435 221 L N -0.570 120.655 121.223 0.003 0.000 2.179 221 L HA 0.167 4.514 4.340 0.010 0.000 0.208 221 L C 1.791 178.610 176.870 -0.085 0.000 1.096 221 L CA 1.457 56.177 54.840 -0.199 0.000 0.779 221 L CB -0.933 40.852 42.059 -0.456 0.000 0.922 221 L HN 0.153 nan 8.230 nan 0.000 0.443 222 G N 0.429 109.241 108.800 0.020 0.000 2.141 222 G HA2 -0.322 3.644 3.960 0.010 0.000 0.242 222 G HA3 -0.322 3.644 3.960 0.010 0.000 0.242 222 G C 0.333 175.237 174.900 0.006 0.000 0.982 222 G CA 0.213 45.330 45.100 0.028 0.000 0.662 222 G HN 0.319 nan 8.290 nan 0.000 0.527 223 K N 0.623 121.030 120.400 0.011 0.000 2.412 223 K HA 0.413 4.740 4.320 0.010 0.000 0.281 223 K C 0.264 176.917 176.600 0.089 0.000 1.027 223 K CA -0.295 55.986 56.287 -0.011 0.000 0.989 223 K CB 0.546 32.992 32.500 -0.091 0.000 0.935 223 K HN 0.047 nan 8.250 nan 0.000 0.475 224 V N 6.839 126.752 119.914 -0.001 0.000 2.304 224 V HA 0.113 4.240 4.120 0.010 0.000 0.269 224 V C -0.474 175.710 176.094 0.150 0.000 1.036 224 V CA -0.703 61.648 62.300 0.086 0.000 0.840 224 V CB -0.356 31.462 31.823 -0.009 0.000 1.036 224 V HN 0.671 nan 8.190 nan 0.000 0.466 225 Y N 3.207 123.532 120.300 0.042 0.000 2.903 225 Y HA 0.089 4.644 4.550 0.007 0.000 0.338 225 Y C 1.579 177.502 175.900 0.040 0.000 1.265 225 Y CA 0.584 58.723 58.100 0.066 0.000 1.532 225 Y CB 0.612 39.124 38.460 0.087 0.000 1.293 225 Y HN 0.730 nan 8.280 nan 0.000 0.609 226 T N 0.109 114.757 114.554 0.157 0.000 2.902 226 T HA 0.275 4.631 4.350 0.010 0.000 0.280 226 T C 1.123 175.881 174.700 0.096 0.000 0.992 226 T CA -0.917 61.242 62.100 0.098 0.000 1.015 226 T CB 1.576 70.476 68.868 0.052 0.000 1.044 226 T HN 0.764 nan 8.240 nan 0.000 0.520 227 R N 0.124 120.659 120.500 0.059 0.000 2.091 227 R HA -0.164 4.183 4.340 0.010 0.000 0.238 227 R C 2.392 178.727 176.300 0.059 0.000 1.136 227 R CA 1.892 58.020 56.100 0.046 0.000 0.959 227 R CB -0.353 29.963 30.300 0.026 0.000 0.856 227 R HN 0.735 nan 8.270 nan 0.000 0.437 228 Q N 0.055 119.883 119.800 0.047 0.000 2.084 228 Q HA -0.154 4.192 4.340 0.010 0.000 0.202 228 Q C 1.870 177.907 176.000 0.063 0.000 0.978 228 Q CA 1.875 57.699 55.803 0.035 0.000 0.844 228 Q CB 0.002 28.742 28.738 0.003 0.000 0.898 228 Q HN 0.423 nan 8.270 nan 0.000 0.426 229 E N 0.143 120.391 120.200 0.079 0.000 2.047 229 E HA -0.138 4.218 4.350 0.010 0.000 0.191 229 E C 1.918 178.733 176.600 0.358 0.000 0.987 229 E CA 0.892 57.406 56.400 0.189 0.000 0.799 229 E CB -0.129 29.694 29.700 0.205 0.000 0.752 229 E HN 0.256 nan 8.360 nan 0.000 0.449 230 L N 0.765 122.145 121.223 0.262 0.000 2.042 230 L HA -0.267 4.079 4.340 0.010 0.000 0.210 230 L C 2.680 179.627 176.870 0.128 0.000 1.076 230 L CA 1.082 56.028 54.840 0.176 0.000 0.749 230 L CB -0.410 41.697 42.059 0.081 0.000 0.893 230 L HN 0.186 nan 8.230 nan 0.000 0.432 231 Q N 0.015 119.879 119.800 0.106 0.000 2.152 231 Q HA -0.176 4.170 4.340 0.010 0.000 0.206 231 Q C 2.041 178.093 176.000 0.087 0.000 0.985 231 Q CA 1.856 57.705 55.803 0.077 0.000 0.863 231 Q CB -0.315 28.455 28.738 0.055 0.000 0.904 231 Q HN 0.358 nan 8.270 nan 0.000 0.422 232 V N -0.143 119.859 119.914 0.148 0.000 2.323 232 V HA -0.211 3.915 4.120 0.010 0.000 0.244 232 V C 2.166 178.330 176.094 0.116 0.000 1.041 232 V CA 1.607 64.002 62.300 0.158 0.000 1.025 232 V CB -0.546 31.457 31.823 0.301 0.000 0.656 232 V HN 0.342 nan 8.190 nan 0.000 0.451 233 I N 1.076 121.739 120.570 0.155 0.000 2.118 233 I HA -0.321 3.855 4.170 0.010 0.000 0.241 233 I C 2.707 178.835 176.117 0.019 0.000 1.070 233 I CA 1.928 63.268 61.300 0.066 0.000 1.327 233 I CB -0.731 37.303 38.000 0.057 0.000 1.034 233 I HN 0.285 nan 8.210 nan 0.000 0.405 234 A N 0.294 123.132 122.820 0.030 0.000 1.933 234 A HA -0.248 4.078 4.320 0.010 0.000 0.218 234 A C 1.975 179.551 177.584 -0.014 0.000 1.175 234 A CA 2.125 54.169 52.037 0.012 0.000 0.628 234 A CB -0.649 18.365 19.000 0.023 0.000 0.814 234 A HN 0.382 nan 8.150 nan 0.000 0.444 235 D N 0.126 120.514 120.400 -0.020 0.000 2.104 235 D HA -0.151 4.496 4.640 0.010 0.000 0.194 235 D C 1.955 178.190 176.300 -0.108 0.000 0.994 235 D CA 1.346 55.319 54.000 -0.045 0.000 0.830 235 D CB -0.347 40.434 40.800 -0.032 0.000 0.959 235 D HN 0.479 nan 8.370 nan 0.000 0.452 236 L N 0.079 121.173 121.223 -0.215 0.000 2.044 236 L HA -0.141 4.205 4.340 0.010 0.000 0.205 236 L C 2.779 179.429 176.870 -0.368 0.000 1.075 236 L CA 0.657 55.200 54.840 -0.495 0.000 0.747 236 L CB -0.449 41.003 42.059 -1.012 0.000 0.903 236 L HN 0.110 nan 8.230 nan 0.000 0.435 237 C N -0.620 118.592 119.300 -0.148 0.000 2.401 237 C HA -0.169 4.297 4.460 0.010 0.000 0.276 237 C C 2.840 177.851 174.990 0.035 0.000 1.233 237 C CA 0.784 59.830 59.018 0.048 0.000 1.753 237 C CB -0.644 27.132 27.740 0.061 0.000 2.029 237 C HN 0.361 nan 8.230 nan 0.000 0.478 238 V N 1.433 121.345 119.914 -0.003 0.000 2.453 238 V HA -0.171 3.955 4.120 0.010 0.000 0.247 238 V C 2.539 178.624 176.094 -0.016 0.000 1.048 238 V CA 2.122 64.423 62.300 0.001 0.000 1.049 238 V CB -0.657 31.165 31.823 -0.002 0.000 0.672 238 V HN 0.646 nan 8.190 nan 0.000 0.457 239 K N -0.884 119.489 120.400 -0.045 0.000 2.243 239 K HA -0.129 4.197 4.320 0.010 0.000 0.201 239 K C 1.799 178.302 176.600 -0.162 0.000 1.051 239 K CA 1.206 57.433 56.287 -0.099 0.000 0.970 239 K CB -0.159 32.268 32.500 -0.123 0.000 0.755 239 K HN 0.489 nan 8.250 nan 0.000 0.465 240 H N 0.769 119.806 119.070 -0.055 0.000 2.539 240 H HA -0.002 4.559 4.556 0.009 0.000 0.269 240 H C -0.363 174.989 175.328 0.041 0.000 0.980 240 H CA 0.643 56.700 56.048 0.014 0.000 1.152 240 H CB 0.217 30.032 29.762 0.088 0.000 1.407 240 H HN 0.363 nan 8.280 nan 0.000 0.564 241 D N 1.937 122.398 120.400 0.102 0.000 2.697 241 D HA -0.150 4.496 4.640 0.010 0.000 0.235 241 D C 0.021 176.378 176.300 0.095 0.000 1.167 241 D CA 1.086 55.130 54.000 0.074 0.000 0.656 241 D CB -0.768 40.057 40.800 0.041 0.000 1.025 241 D HN 0.527 nan 8.370 nan 0.000 0.419 242 T N -2.264 112.366 114.554 0.127 0.000 2.949 242 T HA 0.734 5.090 4.350 0.010 0.000 0.287 242 T C 0.774 175.501 174.700 0.046 0.000 1.034 242 T CA -1.108 61.049 62.100 0.096 0.000 1.018 242 T CB 1.269 70.237 68.868 0.166 0.000 1.135 242 T HN 0.167 nan 8.240 nan 0.000 0.532 243 L N 0.397 121.615 121.223 -0.008 0.000 2.439 243 L HA 0.642 4.988 4.340 0.010 0.000 0.259 243 L C 0.328 177.163 176.870 -0.058 0.000 1.129 243 L CA -1.074 53.738 54.840 -0.046 0.000 0.803 243 L CB 1.046 43.052 42.059 -0.088 0.000 1.161 243 L HN 0.841 nan 8.230 nan 0.000 0.462 244 C N 2.493 121.743 119.300 -0.082 0.000 2.396 244 C HA 0.631 5.097 4.460 0.010 0.000 0.321 244 C C -0.232 174.671 174.990 -0.146 0.000 1.233 244 C CA -0.585 58.371 59.018 -0.103 0.000 1.440 244 C CB -0.122 27.573 27.740 -0.075 0.000 2.110 244 C HN 0.650 nan 8.230 nan 0.000 0.473 245 I N 5.120 125.581 120.570 -0.182 0.000 2.315 245 I HA 0.334 4.510 4.170 0.010 0.000 0.291 245 I C 0.367 176.355 176.117 -0.214 0.000 1.006 245 I CA 0.499 61.676 61.300 -0.205 0.000 1.265 245 I CB 1.549 39.405 38.000 -0.239 0.000 1.387 245 I HN 0.666 nan 8.210 nan 0.000 0.475 246 S N 4.864 120.455 115.700 -0.181 0.000 2.530 246 S HA 0.241 4.717 4.470 0.010 0.000 0.322 246 S C -0.748 173.760 174.600 -0.153 0.000 1.085 246 S CA -0.693 57.407 58.200 -0.166 0.000 1.096 246 S CB 0.600 63.723 63.200 -0.128 0.000 0.988 246 S HN 0.534 nan 8.310 nan 0.000 0.466 247 D N 3.889 124.195 120.400 -0.157 0.000 2.428 247 D HA 0.222 4.868 4.640 0.010 0.000 0.221 247 D C -0.019 176.211 176.300 -0.117 0.000 1.123 247 D CA -0.156 53.758 54.000 -0.143 0.000 0.869 247 D CB 0.669 41.415 40.800 -0.089 0.000 1.032 247 D HN 0.664 nan 8.370 nan 0.000 0.506 248 E N 2.634 122.759 120.200 -0.126 0.000 2.815 248 E HA 0.046 4.402 4.350 0.010 0.000 0.211 248 E C 1.802 178.269 176.600 -0.222 0.000 1.004 248 E CA -0.096 56.255 56.400 -0.082 0.000 1.173 248 E CB 0.829 30.554 29.700 0.042 0.000 1.163 248 E HN 0.387 nan 8.360 nan 0.000 0.449 249 V N -1.677 118.035 119.914 -0.336 0.000 2.392 249 V HA -0.278 3.848 4.120 0.010 0.000 0.249 249 V C 1.350 177.139 176.094 -0.509 0.000 1.059 249 V CA 1.406 63.418 62.300 -0.479 0.000 1.051 249 V CB -0.808 30.615 31.823 -0.666 0.000 0.658 249 V HN 0.308 nan 8.190 nan 0.000 0.455 250 Y N 2.368 122.540 120.300 -0.214 0.000 2.470 250 Y HA 0.232 4.788 4.550 0.009 0.000 0.302 250 Y C 2.301 178.034 175.900 -0.278 0.000 1.194 250 Y CA 0.144 58.102 58.100 -0.237 0.000 1.271 250 Y CB -0.965 37.327 38.460 -0.280 0.000 1.092 250 Y HN 0.563 nan 8.280 nan 0.000 0.513 251 E N -0.916 119.061 120.200 -0.371 0.000 2.273 251 E HA -0.245 4.111 4.350 0.010 0.000 0.198 251 E C 0.550 176.681 176.600 -0.781 0.000 1.002 251 E CA 1.590 57.464 56.400 -0.876 0.000 0.828 251 E CB -0.485 28.399 29.700 -1.361 0.000 0.747 251 E HN 0.630 nan 8.360 nan 0.000 0.491 252 W N 0.212 121.353 121.300 -0.264 0.000 3.290 252 W HA 0.267 4.935 4.660 0.014 0.000 0.287 252 W C 0.185 176.610 176.519 -0.157 0.000 1.288 252 W CA -0.770 56.450 57.345 -0.209 0.000 1.725 252 W CB 0.445 29.774 29.460 -0.219 0.000 1.103 252 W HN -0.018 nan 8.180 nan 0.000 0.670 253 L N 1.712 122.921 121.223 -0.022 0.000 2.956 253 L HA 0.243 4.590 4.340 0.010 0.000 0.232 253 L C 0.154 176.767 176.870 -0.428 0.000 1.291 253 L CA -0.826 53.915 54.840 -0.166 0.000 1.122 253 L CB -0.621 41.362 42.059 -0.126 0.000 1.461 253 L HN -0.151 nan 8.230 nan 0.000 0.470 254 V N -2.593 117.135 119.914 -0.311 0.000 2.459 254 V HA 0.640 4.766 4.120 0.010 0.000 0.295 254 V C -0.275 175.685 176.094 -0.224 0.000 1.029 254 V CA -0.737 61.380 62.300 -0.305 0.000 0.874 254 V CB 1.273 33.069 31.823 -0.045 0.000 0.985 254 V HN 0.213 nan 8.190 nan 0.000 0.438 255 Y N 1.269 121.665 120.300 0.159 0.000 2.593 255 Y HA 0.633 5.190 4.550 0.012 0.000 0.330 255 Y C 1.373 177.392 175.900 0.197 0.000 1.223 255 Y CA -1.068 57.128 58.100 0.161 0.000 1.350 255 Y CB 0.270 38.817 38.460 0.145 0.000 1.499 255 Y HN 0.752 nan 8.280 nan 0.000 0.554 256 T N 0.704 115.455 114.554 0.329 0.000 2.831 256 T HA 0.364 4.720 4.350 0.010 0.000 0.291 256 T C 0.913 175.681 174.700 0.113 0.000 0.981 256 T CA 0.758 62.965 62.100 0.178 0.000 1.174 256 T CB -0.397 68.541 68.868 0.117 0.000 0.929 256 T HN 1.156 nan 8.240 nan 0.000 0.532 257 G N 2.233 111.032 108.800 -0.002 0.000 2.138 257 G HA2 -0.128 3.839 3.960 0.010 0.000 0.193 257 G HA3 -0.128 3.839 3.960 0.010 0.000 0.193 257 G C -0.219 174.366 174.900 -0.525 0.000 0.998 257 G CA -0.547 44.407 45.100 -0.244 0.000 0.668 257 G HN 0.960 nan 8.290 nan 0.000 0.516 258 H N -0.591 118.521 119.070 0.070 0.000 3.046 258 H HA 0.568 5.130 4.556 0.009 0.000 0.363 258 H C -0.891 174.469 175.328 0.054 0.000 1.203 258 H CA 0.019 56.103 56.048 0.060 0.000 1.169 258 H CB 1.863 31.665 29.762 0.066 0.000 1.851 258 H HN 0.179 nan 8.280 nan 0.000 0.546 259 T N 0.383 115.038 114.554 0.167 0.000 2.863 259 T HA 0.128 4.484 4.350 0.010 0.000 0.285 259 T C -0.257 174.508 174.700 0.109 0.000 1.009 259 T CA -0.777 61.391 62.100 0.115 0.000 0.989 259 T CB 1.712 70.624 68.868 0.073 0.000 1.004 259 T HN 0.527 nan 8.240 nan 0.000 0.455 260 H N 1.578 120.639 119.070 -0.014 0.000 2.899 260 H HA 0.472 5.036 4.556 0.014 0.000 0.303 260 H C -0.830 174.463 175.328 -0.058 0.000 1.042 260 H CA 0.213 56.227 56.048 -0.056 0.000 1.479 260 H CB 0.181 29.855 29.762 -0.146 0.000 1.493 260 H HN 0.276 nan 8.280 nan 0.000 0.534 261 V N 6.602 126.310 119.914 -0.342 0.000 2.495 261 V HA 0.207 4.333 4.120 0.010 0.000 0.298 261 V C -0.349 175.498 176.094 -0.412 0.000 1.031 261 V CA -0.972 61.179 62.300 -0.249 0.000 0.871 261 V CB 1.680 33.436 31.823 -0.113 0.000 0.988 261 V HN 0.788 nan 8.190 nan 0.000 0.432 262 K N 4.272 124.494 120.400 -0.297 0.000 2.285 262 K HA 0.385 4.711 4.320 0.010 0.000 0.286 262 K C 1.086 177.586 176.600 -0.168 0.000 1.072 262 K CA -0.251 55.884 56.287 -0.253 0.000 0.913 262 K CB 1.335 33.683 32.500 -0.253 0.000 1.067 262 K HN 0.625 nan 8.250 nan 0.000 0.479 263 I N 2.786 123.276 120.570 -0.133 0.000 2.315 263 I HA -0.352 3.824 4.170 0.010 0.000 0.251 263 I C 1.894 177.995 176.117 -0.026 0.000 1.125 263 I CA 1.455 62.715 61.300 -0.068 0.000 1.392 263 I CB 0.058 38.019 38.000 -0.065 0.000 1.065 263 I HN 0.807 nan 8.210 nan 0.000 0.424 264 A N -0.203 122.609 122.820 -0.013 0.000 2.131 264 A HA -0.227 4.100 4.320 0.010 0.000 0.220 264 A C 2.078 179.762 177.584 0.166 0.000 1.158 264 A CA 2.064 54.165 52.037 0.107 0.000 0.665 264 A CB -0.988 18.161 19.000 0.248 0.000 0.795 264 A HN 0.615 nan 8.150 nan 0.000 0.460 265 T N -3.325 111.234 114.554 0.007 0.000 3.086 265 T HA 0.428 4.784 4.350 0.010 0.000 0.250 265 T C 0.282 175.004 174.700 0.036 0.000 1.074 265 T CA -0.358 61.753 62.100 0.018 0.000 0.988 265 T CB -0.384 68.421 68.868 -0.104 0.000 0.988 265 T HN 0.006 nan 8.240 nan 0.000 0.530 266 L N 2.539 123.785 121.223 0.039 0.000 2.436 266 L HA 0.430 4.776 4.340 0.010 0.000 0.265 266 L C -2.188 174.719 176.870 0.061 0.000 1.168 266 L CA -2.238 52.624 54.840 0.037 0.000 0.815 266 L CB 0.152 42.227 42.059 0.026 0.000 1.109 266 L HN -0.015 nan 8.230 nan 0.000 0.462 267 P HA 0.156 nan 4.420 nan 0.000 0.261 267 P C 0.690 178.028 177.300 0.063 0.000 1.183 267 P CA 0.799 63.932 63.100 0.054 0.000 0.761 267 P CB 0.422 32.143 31.700 0.036 0.000 0.785 268 G N 3.022 111.874 108.800 0.087 0.000 2.176 268 G HA2 -0.288 3.678 3.960 0.010 0.000 0.253 268 G HA3 -0.288 3.678 3.960 0.010 0.000 0.253 268 G C 0.807 175.767 174.900 0.100 0.000 0.979 268 G CA 0.112 45.265 45.100 0.087 0.000 0.641 268 G HN 0.401 nan 8.290 nan 0.000 0.530 269 M N -0.807 118.864 119.600 0.119 0.000 2.534 269 M HA 0.256 4.743 4.480 0.010 0.000 0.263 269 M C 2.042 178.412 176.300 0.118 0.000 1.152 269 M CA 0.231 55.586 55.300 0.093 0.000 1.145 269 M CB -1.170 31.468 32.600 0.063 0.000 1.333 269 M HN 0.515 nan 8.290 nan 0.000 0.477 270 W N 3.497 124.834 121.300 0.062 0.000 2.274 270 W HA -0.275 4.387 4.660 0.003 0.000 0.314 270 W C 1.331 177.883 176.519 0.056 0.000 1.254 270 W CA 2.391 59.783 57.345 0.078 0.000 1.265 270 W CB -0.063 29.450 29.460 0.089 0.000 1.141 270 W HN 0.341 nan 8.180 nan 0.000 0.505 271 E N 0.480 120.706 120.200 0.043 0.000 2.435 271 E HA -0.123 4.234 4.350 0.010 0.000 0.195 271 E C 1.818 178.409 176.600 -0.016 0.000 1.029 271 E CA 0.866 57.296 56.400 0.050 0.000 0.865 271 E CB -0.539 29.288 29.700 0.212 0.000 0.833 271 E HN 0.566 nan 8.360 nan 0.000 0.510 272 R N 0.587 121.051 120.500 -0.060 0.000 2.476 272 R HA 0.238 4.584 4.340 0.010 0.000 0.276 272 R C -0.066 176.154 176.300 -0.132 0.000 0.941 272 R CA -0.067 55.996 56.100 -0.061 0.000 1.088 272 R CB 0.213 30.512 30.300 -0.002 0.000 1.216 272 R HN -0.168 nan 8.270 nan 0.000 0.533 273 T N 2.199 116.626 114.554 -0.212 0.000 2.823 273 T HA 0.461 4.818 4.350 0.010 0.000 0.279 273 T C -0.391 174.137 174.700 -0.286 0.000 0.998 273 T CA -0.530 61.446 62.100 -0.205 0.000 0.994 273 T CB 2.084 70.873 68.868 -0.132 0.000 0.960 273 T HN -0.020 nan 8.240 nan 0.000 0.448 274 I N 3.134 123.566 120.570 -0.230 0.000 2.354 274 I HA 0.371 4.547 4.170 0.010 0.000 0.292 274 I C 0.284 176.298 176.117 -0.171 0.000 0.989 274 I CA -0.442 60.722 61.300 -0.226 0.000 1.188 274 I CB 1.391 39.268 38.000 -0.205 0.000 1.342 274 I HN 0.615 nan 8.210 nan 0.000 0.457 275 T N 7.376 121.845 114.554 -0.142 0.000 2.812 275 T HA 0.637 4.994 4.350 0.010 0.000 0.282 275 T C -0.035 174.599 174.700 -0.111 0.000 0.990 275 T CA -0.323 61.722 62.100 -0.091 0.000 0.960 275 T CB 1.533 70.410 68.868 0.015 0.000 0.948 275 T HN 0.249 nan 8.240 nan 0.000 0.438 276 I N 2.218 122.699 120.570 -0.149 0.000 2.474 276 I HA 0.700 4.876 4.170 0.010 0.000 0.294 276 I C 0.676 176.607 176.117 -0.311 0.000 1.005 276 I CA -0.611 60.553 61.300 -0.228 0.000 1.113 276 I CB 2.023 39.894 38.000 -0.215 0.000 1.289 276 I HN 0.733 nan 8.210 nan 0.000 0.436 277 G N 2.592 111.019 108.800 -0.621 0.000 2.816 277 G HA2 0.649 4.615 3.960 0.010 0.000 0.288 277 G HA3 0.649 4.615 3.960 0.010 0.000 0.288 277 G C -1.631 172.554 174.900 -1.192 0.000 1.334 277 G CA -0.462 44.201 45.100 -0.729 0.000 0.978 277 G HN 0.456 nan 8.290 nan 0.000 0.493 278 S N -1.745 113.448 115.700 -0.845 0.000 2.548 278 S HA 0.568 5.044 4.470 0.010 0.000 0.276 278 S C 0.881 175.406 174.600 -0.126 0.000 1.129 278 S CA 0.343 58.183 58.200 -0.600 0.000 0.931 278 S CB 1.572 64.567 63.200 -0.343 0.000 1.068 278 S HN 1.307 nan 8.310 nan 0.000 0.480 279 A N 3.866 126.736 122.820 0.083 0.000 1.930 279 A HA 0.382 4.708 4.320 0.010 0.000 0.215 279 A C 1.357 179.058 177.584 0.196 0.000 1.176 279 A CA 1.087 53.383 52.037 0.431 0.000 0.632 279 A CB -1.234 18.080 19.000 0.524 0.000 0.819 279 A HN 1.016 nan 8.150 nan 0.000 0.445 283 F N 2.273 122.278 119.950 0.091 0.000 2.661 283 F HA 0.497 5.030 4.527 0.011 0.000 0.306 283 F C 1.033 176.744 175.800 -0.148 0.000 1.094 283 F CA -0.185 57.757 58.000 -0.096 0.000 1.254 283 F CB 0.434 39.179 39.000 -0.425 0.000 1.040 283 F HN 0.013 nan 8.300 nan 0.000 0.562 284 S N 0.394 116.148 115.700 0.090 0.000 3.587 284 S HA -0.135 4.342 4.470 0.010 0.000 0.337 284 S C -0.116 174.389 174.600 -0.157 0.000 1.119 284 S CA 0.670 58.873 58.200 0.004 0.000 0.976 284 S CB -2.089 61.147 63.200 0.059 0.000 0.922 284 S HN 0.280 nan 8.310 nan 0.000 0.503 285 V N -0.472 119.302 119.914 -0.233 0.000 2.250 285 V HA 0.654 4.780 4.120 0.010 0.000 0.268 285 V C 1.180 177.189 176.094 -0.142 0.000 1.043 285 V CA 0.025 62.095 62.300 -0.382 0.000 0.814 285 V CB 0.686 31.844 31.823 -1.108 0.000 1.072 285 V HN 0.517 nan 8.190 nan 0.000 0.451 286 T N 1.332 115.864 114.554 -0.036 0.000 2.942 286 T HA 0.034 4.390 4.350 0.010 0.000 0.265 286 T C 1.711 176.493 174.700 0.135 0.000 1.062 286 T CA 1.535 63.669 62.100 0.057 0.000 1.139 286 T CB -0.264 68.634 68.868 0.049 0.000 0.883 286 T HN 0.878 nan 8.240 nan 0.000 0.468 287 G N -0.769 108.136 108.800 0.176 0.000 2.956 287 G HA2 0.087 4.053 3.960 0.010 0.000 0.207 287 G HA3 0.087 4.053 3.960 0.010 0.000 0.207 287 G C 0.787 175.884 174.900 0.327 0.000 1.162 287 G CA -0.230 45.005 45.100 0.224 0.000 0.796 287 G HN 0.517 nan 8.290 nan 0.000 0.527 288 W N 0.065 121.377 121.300 0.019 0.000 2.737 288 W HA 0.301 4.967 4.660 0.010 0.000 0.262 288 W C 0.771 177.311 176.519 0.034 0.000 1.282 288 W CA -0.520 56.839 57.345 0.023 0.000 1.386 288 W CB 0.432 29.914 29.460 0.037 0.000 1.099 288 W HN -0.033 nan 8.180 nan 0.000 0.621 289 K N 0.667 121.217 120.400 0.250 0.000 3.490 289 K HA -0.195 4.131 4.320 0.010 0.000 0.273 289 K C -0.786 175.910 176.600 0.161 0.000 0.916 289 K CA 0.828 57.202 56.287 0.144 0.000 0.718 289 K CB -1.973 30.566 32.500 0.065 0.000 1.477 289 K HN 0.257 nan 8.250 nan 0.000 0.452 290 L N 0.242 121.597 121.223 0.219 0.000 2.372 290 L HA 0.590 4.936 4.340 0.010 0.000 0.274 290 L C 0.842 177.818 176.870 0.178 0.000 0.988 290 L CA -0.544 54.456 54.840 0.267 0.000 0.833 290 L CB 2.161 44.470 42.059 0.416 0.000 1.236 290 L HN 0.373 nan 8.230 nan 0.000 0.410 291 G N 1.794 110.651 108.800 0.096 0.000 2.798 291 G HA2 0.752 4.718 3.960 0.010 0.000 0.286 291 G HA3 0.752 4.718 3.960 0.010 0.000 0.286 291 G C -2.340 172.558 174.900 -0.004 0.000 1.389 291 G CA -0.523 44.412 45.100 -0.275 0.000 0.894 291 G HN 0.602 nan 8.290 nan 0.000 0.488 292 W N -1.290 120.052 121.300 0.069 0.000 3.118 292 W HA 0.765 5.429 4.660 0.008 0.000 0.328 292 W C -0.802 175.679 176.519 -0.062 0.000 1.239 292 W CA -1.306 56.047 57.345 0.015 0.000 1.176 292 W CB 1.180 30.649 29.460 0.016 0.000 1.433 292 W HN 0.513 nan 8.180 nan 0.000 0.562 293 S N 1.918 117.689 115.700 0.117 0.000 2.502 293 S HA 0.702 5.178 4.470 0.010 0.000 0.304 293 S C -0.824 173.760 174.600 -0.027 0.000 1.097 293 S CA -0.669 57.517 58.200 -0.022 0.000 1.045 293 S CB 0.847 64.004 63.200 -0.073 0.000 1.019 293 S HN 0.415 nan 8.310 nan 0.000 0.481 294 I N 2.308 122.822 120.570 -0.094 0.000 2.474 294 I HA 0.810 4.986 4.170 0.010 0.000 0.294 294 I C 0.530 176.481 176.117 -0.277 0.000 1.005 294 I CA -0.192 61.014 61.300 -0.157 0.000 1.113 294 I CB 2.075 39.945 38.000 -0.217 0.000 1.289 294 I HN 0.837 nan 8.210 nan 0.000 0.436 295 G N 5.880 114.462 108.800 -0.364 0.000 2.313 295 G HA2 0.269 4.235 3.960 0.010 0.000 0.296 295 G HA3 0.269 4.235 3.960 0.010 0.000 0.296 295 G C -3.334 171.184 174.900 -0.636 0.000 1.356 295 G CA -0.710 43.942 45.100 -0.747 0.000 0.833 295 G HN 0.280 nan 8.290 nan 0.000 0.552 296 P HA 0.376 nan 4.420 nan 0.000 0.271 296 P C 1.059 178.192 177.300 -0.277 0.000 1.218 296 P CA 0.681 63.562 63.100 -0.366 0.000 0.780 296 P CB 1.372 32.806 31.700 -0.442 0.000 0.901 297 A N 3.279 126.064 122.820 -0.058 0.000 1.927 297 A HA -0.244 4.082 4.320 0.010 0.000 0.220 297 A C 1.933 179.419 177.584 -0.162 0.000 1.185 297 A CA 1.952 53.943 52.037 -0.078 0.000 0.639 297 A CB -1.908 17.102 19.000 0.017 0.000 0.820 297 A HN 0.809 nan 8.150 nan 0.000 0.451 298 H N -1.102 117.907 119.070 -0.102 0.000 2.559 298 H HA 0.157 4.718 4.556 0.008 0.000 0.273 298 H C 1.521 176.755 175.328 -0.157 0.000 1.000 298 H CA 1.194 57.162 56.048 -0.134 0.000 1.195 298 H CB -0.366 29.372 29.762 -0.041 0.000 1.368 298 H HN 0.494 nan 8.280 nan 0.000 0.592 299 L N -0.143 120.743 121.223 -0.562 0.000 2.349 299 L HA 0.017 4.363 4.340 0.010 0.000 0.200 299 L C 2.388 179.095 176.870 -0.272 0.000 1.064 299 L CA -0.079 54.565 54.840 -0.327 0.000 0.821 299 L CB -0.012 41.808 42.059 -0.398 0.000 1.027 299 L HN 0.059 nan 8.230 nan 0.000 0.476 300 I N 1.543 121.929 120.570 -0.308 0.000 2.163 300 I HA -0.315 3.861 4.170 0.010 0.000 0.243 300 I C 2.663 178.594 176.117 -0.311 0.000 1.085 300 I CA 1.719 62.856 61.300 -0.271 0.000 1.347 300 I CB -1.178 36.681 38.000 -0.235 0.000 1.044 300 I HN 0.457 nan 8.210 nan 0.000 0.408 301 K N 0.561 120.746 120.400 -0.359 0.000 2.113 301 K HA -0.252 4.075 4.320 0.010 0.000 0.208 301 K C 1.883 178.270 176.600 -0.356 0.000 1.047 301 K CA 1.751 57.811 56.287 -0.379 0.000 0.928 301 K CB -0.724 31.566 32.500 -0.349 0.000 0.716 301 K HN 0.397 nan 8.250 nan 0.000 0.446 302 H N 0.598 119.576 119.070 -0.153 0.000 2.387 302 H HA -0.040 4.522 4.556 0.010 0.000 0.299 302 H C 2.208 177.427 175.328 -0.182 0.000 1.090 302 H CA 1.239 57.199 56.048 -0.146 0.000 1.332 302 H CB -0.166 29.518 29.762 -0.130 0.000 1.386 302 H HN 0.134 nan 8.280 nan 0.000 0.516 303 L N 1.031 122.182 121.223 -0.121 0.000 2.044 303 L HA -0.114 4.232 4.340 0.010 0.000 0.205 303 L C 2.668 179.395 176.870 -0.238 0.000 1.075 303 L CA 1.232 55.973 54.840 -0.166 0.000 0.747 303 L CB -0.756 41.199 42.059 -0.172 0.000 0.903 303 L HN 0.142 nan 8.230 nan 0.000 0.435 304 Q N -0.954 118.598 119.800 -0.413 0.000 2.118 304 Q HA -0.287 4.060 4.340 0.010 0.000 0.211 304 Q C 2.057 177.839 176.000 -0.364 0.000 0.998 304 Q CA 2.554 57.889 55.803 -0.780 0.000 0.872 304 Q CB -0.548 27.433 28.738 -1.261 0.000 0.925 304 Q HN 0.528 nan 8.270 nan 0.000 0.414 305 T N 0.401 114.853 114.554 -0.171 0.000 2.684 305 T HA -0.137 4.220 4.350 0.010 0.000 0.267 305 T C 2.019 176.714 174.700 -0.008 0.000 1.036 305 T CA 1.488 63.579 62.100 -0.016 0.000 1.148 305 T CB -0.344 68.533 68.868 0.015 0.000 0.863 305 T HN 0.070 nan 8.240 nan 0.000 0.436 306 V N 1.794 121.671 119.914 -0.061 0.000 2.295 306 V HA -0.249 3.878 4.120 0.010 0.000 0.246 306 V C 2.673 178.753 176.094 -0.023 0.000 1.049 306 V CA 2.187 64.447 62.300 -0.067 0.000 1.024 306 V CB -0.859 30.876 31.823 -0.145 0.000 0.648 306 V HN 0.475 nan 8.190 nan 0.000 0.447 307 Q N 0.846 120.642 119.800 -0.007 0.000 2.181 307 Q HA -0.295 4.051 4.340 0.010 0.000 0.205 307 Q C 2.229 178.331 176.000 0.171 0.000 0.980 307 Q CA 2.443 58.291 55.803 0.074 0.000 0.862 307 Q CB -0.420 28.366 28.738 0.079 0.000 0.905 307 Q HN 0.822 nan 8.270 nan 0.000 0.429 308 Q N -0.964 118.974 119.800 0.230 0.000 2.378 308 Q HA -0.062 4.284 4.340 0.010 0.000 0.205 308 Q C 0.458 176.643 176.000 0.309 0.000 0.954 308 Q CA 1.076 57.114 55.803 0.391 0.000 0.901 308 Q CB 0.137 29.158 28.738 0.472 0.000 0.981 308 Q HN 0.415 nan 8.270 nan 0.000 0.483 309 N N 0.430 119.214 118.700 0.141 0.000 2.238 309 N HA 0.061 4.808 4.740 0.010 0.000 0.222 309 N C 0.301 175.808 175.510 -0.005 0.000 1.133 309 N CA 0.676 53.766 53.050 0.066 0.000 0.854 309 N CB 1.325 39.836 38.487 0.039 0.000 1.041 309 N HN 0.371 nan 8.380 nan 0.000 0.510 310 S N -0.814 114.848 115.700 -0.063 0.000 3.334 310 S HA 0.254 4.730 4.470 0.010 0.000 0.224 310 S C 1.092 175.531 174.600 -0.268 0.000 0.959 310 S CA -0.189 57.810 58.200 -0.335 0.000 0.815 310 S CB -0.196 62.582 63.200 -0.704 0.000 0.861 310 S HN 0.145 nan 8.310 nan 0.000 0.596 311 F N -0.956 119.113 119.950 0.198 0.000 2.778 311 F HA 0.453 4.986 4.527 0.010 0.000 0.314 311 F C 1.361 177.319 175.800 0.263 0.000 1.073 311 F CA -0.353 57.757 58.000 0.182 0.000 1.218 311 F CB 0.180 39.269 39.000 0.147 0.000 1.037 311 F HN 0.324 nan 8.300 nan 0.000 0.594 312 Y N 0.715 121.153 120.300 0.230 0.000 2.834 312 Y HA -0.467 4.089 4.550 0.011 0.000 0.470 312 Y C 0.926 176.938 175.900 0.187 0.000 1.173 312 Y CA 1.604 59.803 58.100 0.164 0.000 2.645 312 Y CB -1.281 37.219 38.460 0.067 0.000 1.180 312 Y HN 0.145 nan 8.280 nan 0.000 0.618 313 T N 1.565 116.251 114.554 0.220 0.000 2.949 313 T HA 0.682 5.039 4.350 0.010 0.000 0.287 313 T C -0.444 174.375 174.700 0.197 0.000 1.034 313 T CA -0.014 62.162 62.100 0.126 0.000 1.018 313 T CB 1.454 70.389 68.868 0.111 0.000 1.135 313 T HN 0.600 nan 8.240 nan 0.000 0.532 314 C N 1.449 120.847 119.300 0.163 0.000 2.505 314 C HA 0.874 5.340 4.460 0.010 0.000 0.358 314 C C 0.939 175.983 174.990 0.090 0.000 1.226 314 C CA -0.752 58.346 59.018 0.134 0.000 1.900 314 C CB 0.965 28.792 27.740 0.146 0.000 2.306 314 C HN 1.161 nan 8.230 nan 0.000 0.512 315 A N 1.593 124.431 122.820 0.031 0.000 2.553 315 A HA 0.248 4.574 4.320 0.010 0.000 0.258 315 A C 1.288 178.830 177.584 -0.070 0.000 1.069 315 A CA 0.672 52.688 52.037 -0.036 0.000 0.767 315 A CB -0.180 18.758 19.000 -0.104 0.000 0.997 315 A HN 0.995 nan 8.150 nan 0.000 0.512 316 T N 4.716 119.221 114.554 -0.081 0.000 2.624 316 T HA -0.131 4.225 4.350 0.010 0.000 0.268 316 T C -0.564 173.968 174.700 -0.280 0.000 1.041 316 T CA 2.292 64.275 62.100 -0.194 0.000 1.159 316 T CB -1.065 67.724 68.868 -0.132 0.000 0.863 316 T HN 0.666 nan 8.240 nan 0.000 0.434 317 P HA 0.055 nan 4.420 nan 0.000 0.217 317 P C 1.514 178.633 177.300 -0.302 0.000 1.151 317 P CA 0.520 63.473 63.100 -0.246 0.000 0.828 317 P CB -0.188 31.369 31.700 -0.238 0.000 0.788 318 L N -0.101 120.900 121.223 -0.370 0.000 2.012 318 L HA -0.177 4.169 4.340 0.010 0.000 0.210 318 L C 2.573 179.348 176.870 -0.157 0.000 1.073 318 L CA 1.910 56.452 54.840 -0.496 0.000 0.748 318 L CB -1.909 39.880 42.059 -0.450 0.000 0.891 318 L HN 0.054 nan 8.230 nan 0.000 0.431 319 Q N -1.682 118.066 119.800 -0.088 0.000 2.137 319 Q HA -0.062 4.285 4.340 0.010 0.000 0.198 319 Q C 2.322 178.347 176.000 0.043 0.000 0.960 319 Q CA 1.140 56.972 55.803 0.049 0.000 0.847 319 Q CB -0.180 28.593 28.738 0.058 0.000 0.915 319 Q HN 0.533 nan 8.270 nan 0.000 0.448 320 A N 1.450 124.145 122.820 -0.208 0.000 1.892 320 A HA -0.247 4.079 4.320 0.010 0.000 0.218 320 A C 2.290 179.940 177.584 0.110 0.000 1.188 320 A CA 2.006 54.028 52.037 -0.025 0.000 0.631 320 A CB -0.905 18.037 19.000 -0.096 0.000 0.822 320 A HN 0.416 nan 8.150 nan 0.000 0.447 321 A N -1.036 121.818 122.820 0.055 0.000 1.898 321 A HA 0.042 4.368 4.320 0.010 0.000 0.216 321 A C 2.090 179.763 177.584 0.149 0.000 1.181 321 A CA 1.629 53.734 52.037 0.113 0.000 0.620 321 A CB -0.612 18.457 19.000 0.114 0.000 0.819 321 A HN 0.630 nan 8.150 nan 0.000 0.442 322 L N 0.035 121.392 121.223 0.224 0.000 2.079 322 L HA -0.149 4.197 4.340 0.010 0.000 0.210 322 L C 2.667 179.586 176.870 0.081 0.000 1.081 322 L CA 2.109 57.011 54.840 0.104 0.000 0.752 322 L CB -0.955 41.278 42.059 0.290 0.000 0.896 322 L HN 0.380 nan 8.230 nan 0.000 0.433 323 A N -1.076 121.872 122.820 0.213 0.000 1.902 323 A HA -0.167 4.159 4.320 0.010 0.000 0.217 323 A C 2.118 179.815 177.584 0.188 0.000 1.181 323 A CA 1.685 53.855 52.037 0.222 0.000 0.623 323 A CB -0.447 18.723 19.000 0.283 0.000 0.818 323 A HN 0.526 nan 8.150 nan 0.000 0.443 324 E N -0.213 120.110 120.200 0.206 0.000 2.158 324 E HA 0.023 4.379 4.350 0.010 0.000 0.191 324 E C 2.311 178.975 176.600 0.106 0.000 0.982 324 E CA 0.947 57.482 56.400 0.226 0.000 0.823 324 E CB -0.544 29.265 29.700 0.181 0.000 0.766 324 E HN 0.564 nan 8.360 nan 0.000 0.468 325 A N 1.073 123.857 122.820 -0.061 0.000 1.865 325 A HA -0.184 4.142 4.320 0.010 0.000 0.217 325 A C 2.024 179.507 177.584 -0.168 0.000 1.191 325 A CA 1.236 53.098 52.037 -0.292 0.000 0.623 325 A CB -0.835 17.564 19.000 -1.002 0.000 0.826 325 A HN 0.126 nan 8.150 nan 0.000 0.444 326 F N -1.617 118.278 119.950 -0.092 0.000 2.069 326 F HA -0.182 4.352 4.527 0.011 0.000 0.298 326 F C 2.240 178.014 175.800 -0.044 0.000 1.113 326 F CA 1.206 59.211 58.000 0.010 0.000 1.214 326 F CB -1.043 37.855 39.000 -0.170 0.000 0.978 326 F HN 0.400 nan 8.300 nan 0.000 0.474 327 W N 0.117 121.556 121.300 0.233 0.000 2.342 327 W HA -0.203 4.463 4.660 0.010 0.000 0.297 327 W C 2.478 179.012 176.519 0.025 0.000 1.213 327 W CA 0.766 58.175 57.345 0.107 0.000 1.251 327 W CB -0.577 28.921 29.460 0.064 0.000 1.136 327 W HN -0.011 nan 8.180 nan 0.000 0.526 328 I N -0.037 120.636 120.570 0.171 0.000 2.142 328 I HA -0.312 3.864 4.170 0.010 0.000 0.240 328 I C 1.994 178.051 176.117 -0.100 0.000 1.078 328 I CA 1.478 62.750 61.300 -0.046 0.000 1.343 328 I CB -0.530 37.303 38.000 -0.278 0.000 1.046 328 I HN -0.078 nan 8.210 nan 0.000 0.405 329 D N 0.571 120.911 120.400 -0.100 0.000 2.224 329 D HA -0.072 4.574 4.640 0.010 0.000 0.205 329 D C 2.220 178.420 176.300 -0.168 0.000 0.965 329 D CA 1.124 54.972 54.000 -0.253 0.000 0.852 329 D CB 0.096 40.558 40.800 -0.562 0.000 0.947 329 D HN 0.370 nan 8.370 nan 0.000 0.494 330 I N 0.794 121.397 120.570 0.055 0.000 2.546 330 I HA -0.186 3.990 4.170 0.010 0.000 0.255 330 I C 1.884 178.083 176.117 0.136 0.000 1.163 330 I CA 0.960 62.352 61.300 0.154 0.000 1.457 330 I CB 0.051 38.179 38.000 0.214 0.000 1.092 330 I HN -0.170 nan 8.210 nan 0.000 0.434 331 K N 1.105 121.574 120.400 0.116 0.000 2.525 331 K HA 0.015 4.342 4.320 0.010 0.000 0.192 331 K C 0.506 177.122 176.600 0.028 0.000 1.029 331 K CA 0.401 56.736 56.287 0.079 0.000 1.029 331 K CB 0.111 32.652 32.500 0.068 0.000 0.814 331 K HN 0.397 nan 8.250 nan 0.000 0.503 332 R N -0.443 120.055 120.500 -0.002 0.000 2.776 332 R HA 0.298 4.644 4.340 0.010 0.000 0.391 332 R C 0.820 177.118 176.300 -0.004 0.000 1.116 332 R CA -0.193 55.898 56.100 -0.015 0.000 1.056 332 R CB -0.160 30.110 30.300 -0.051 0.000 1.369 332 R HN 0.004 nan 8.270 nan 0.000 0.590 333 M N 1.791 121.416 119.600 0.041 0.000 2.213 333 M HA -0.135 4.351 4.480 0.010 0.000 0.263 333 M C 0.945 177.300 176.300 0.092 0.000 1.062 333 M CA 1.821 57.175 55.300 0.090 0.000 1.105 333 M CB 0.041 32.731 32.600 0.152 0.000 1.385 333 M HN 0.343 nan 8.290 nan 0.000 0.417 334 D N -1.241 119.200 120.400 0.069 0.000 2.328 334 D HA 0.031 4.677 4.640 0.010 0.000 0.221 334 D C -0.408 175.923 176.300 0.051 0.000 1.072 334 D CA 0.207 54.246 54.000 0.066 0.000 0.850 334 D CB -0.172 40.663 40.800 0.057 0.000 0.922 334 D HN 0.157 nan 8.370 nan 0.000 0.516 335 D N 0.903 121.326 120.400 0.038 0.000 2.269 335 D HA 0.213 4.859 4.640 0.010 0.000 0.244 335 D C -1.555 174.763 176.300 0.030 0.000 0.992 335 D CA -2.038 51.978 54.000 0.028 0.000 0.894 335 D CB 2.210 43.017 40.800 0.012 0.000 1.248 335 D HN -0.153 nan 8.370 nan 0.000 0.468 336 P HA -0.034 nan 4.420 nan 0.000 0.234 336 P C 0.262 177.583 177.300 0.035 0.000 1.167 336 P CA 0.810 63.933 63.100 0.038 0.000 0.763 336 P CB 0.594 32.317 31.700 0.038 0.000 0.835 337 E N -0.978 119.236 120.200 0.024 0.000 2.340 337 E HA 0.005 4.361 4.350 0.010 0.000 0.194 337 E C 0.803 177.415 176.600 0.021 0.000 0.996 337 E CA -0.095 56.325 56.400 0.032 0.000 0.869 337 E CB -1.082 28.629 29.700 0.019 0.000 0.835 337 E HN 0.120 nan 8.360 nan 0.000 0.493 338 C N 1.822 121.103 119.300 -0.031 0.000 2.419 338 C HA -0.124 4.342 4.460 0.010 0.000 0.398 338 C C 1.614 176.556 174.990 -0.079 0.000 1.498 338 C CA -0.186 58.757 59.018 -0.124 0.000 1.494 338 C CB -0.951 26.706 27.740 -0.140 0.000 2.485 338 C HN 0.488 nan 8.230 nan 0.000 0.608 339 Y N 4.913 125.051 120.300 -0.270 0.000 2.384 339 Y HA -0.051 4.505 4.550 0.011 0.000 0.289 339 Y C 1.545 177.384 175.900 -0.101 0.000 1.152 339 Y CA 1.794 59.803 58.100 -0.151 0.000 1.258 339 Y CB -0.371 38.026 38.460 -0.105 0.000 0.979 339 Y HN 0.814 nan 8.280 nan 0.000 0.549 340 F N -0.424 119.373 119.950 -0.255 0.000 2.502 340 F HA -0.121 4.414 4.527 0.012 0.000 0.298 340 F C 1.757 177.460 175.800 -0.163 0.000 1.111 340 F CA 0.676 58.421 58.000 -0.426 0.000 1.445 340 F CB -0.646 37.953 39.000 -0.669 0.000 1.081 340 F HN 0.161 nan 8.300 nan 0.000 0.558 341 N N -0.986 117.756 118.700 0.071 0.000 2.564 341 N HA -0.050 4.696 4.740 0.010 0.000 0.202 341 N C 1.980 177.507 175.510 0.029 0.000 1.052 341 N CA 1.235 54.331 53.050 0.077 0.000 0.872 341 N CB -0.528 38.006 38.487 0.080 0.000 1.303 341 N HN 0.168 nan 8.380 nan 0.000 0.440 342 S N 0.616 116.308 115.700 -0.014 0.000 2.453 342 S HA 0.021 4.498 4.470 0.010 0.000 0.231 342 S C 1.843 176.391 174.600 -0.086 0.000 1.005 342 S CA 0.311 58.503 58.200 -0.013 0.000 0.949 342 S CB -0.196 63.026 63.200 0.037 0.000 0.774 342 S HN 0.117 nan 8.310 nan 0.000 0.510 343 L N 3.262 124.330 121.223 -0.257 0.000 2.034 343 L HA 0.203 4.549 4.340 0.010 0.000 0.203 343 L C -1.053 175.799 176.870 -0.029 0.000 1.074 343 L CA 1.384 56.036 54.840 -0.313 0.000 0.748 343 L CB -1.401 40.218 42.059 -0.732 0.000 0.905 343 L HN 0.078 nan 8.230 nan 0.000 0.439 344 P HA -0.271 nan 4.420 nan 0.000 0.217 344 P C 1.319 178.789 177.300 0.283 0.000 1.148 344 P CA 2.038 65.269 63.100 0.218 0.000 0.834 344 P CB -0.084 31.705 31.700 0.147 0.000 0.783 345 K N 0.349 120.840 120.400 0.152 0.000 2.116 345 K HA -0.094 4.232 4.320 0.010 0.000 0.203 345 K C 2.241 178.894 176.600 0.088 0.000 1.052 345 K CA 0.864 57.226 56.287 0.125 0.000 0.952 345 K CB -0.297 32.258 32.500 0.091 0.000 0.729 345 K HN -0.083 nan 8.250 nan 0.000 0.446 346 E N 0.619 120.863 120.200 0.072 0.000 2.085 346 E HA -0.185 4.171 4.350 0.010 0.000 0.194 346 E C 1.944 178.596 176.600 0.087 0.000 0.994 346 E CA 1.375 57.813 56.400 0.063 0.000 0.801 346 E CB 0.005 29.736 29.700 0.052 0.000 0.743 346 E HN 0.354 nan 8.360 nan 0.000 0.453 347 L N 0.157 121.472 121.223 0.154 0.000 2.095 347 L HA -0.113 4.233 4.340 0.010 0.000 0.204 347 L C 2.533 179.427 176.870 0.040 0.000 1.080 347 L CA 0.841 55.824 54.840 0.239 0.000 0.759 347 L CB -0.353 41.961 42.059 0.425 0.000 0.914 347 L HN 0.171 nan 8.230 nan 0.000 0.439 348 E N 0.149 120.270 120.200 -0.131 0.000 2.114 348 E HA -0.242 4.114 4.350 0.010 0.000 0.199 348 E C 2.173 178.602 176.600 -0.284 0.000 1.008 348 E CA 1.690 57.818 56.400 -0.454 0.000 0.810 348 E CB 0.102 29.693 29.700 -0.182 0.000 0.739 348 E HN 0.254 nan 8.360 nan 0.000 0.456 349 V N 0.696 120.533 119.914 -0.128 0.000 2.358 349 V HA -0.230 3.897 4.120 0.010 0.000 0.246 349 V C 2.099 178.120 176.094 -0.122 0.000 1.047 349 V CA 1.896 64.137 62.300 -0.098 0.000 1.035 349 V CB -0.317 31.486 31.823 -0.034 0.000 0.658 349 V HN 0.205 nan 8.190 nan 0.000 0.452 350 K N -0.221 120.128 120.400 -0.084 0.000 2.148 350 K HA -0.146 4.180 4.320 0.010 0.000 0.204 350 K C 2.360 178.759 176.600 -0.335 0.000 1.050 350 K CA 1.098 57.345 56.287 -0.066 0.000 0.942 350 K CB -0.195 32.388 32.500 0.138 0.000 0.724 350 K HN 0.314 nan 8.250 nan 0.000 0.446 351 R N 1.264 121.386 120.500 -0.629 0.000 2.073 351 R HA -0.158 4.188 4.340 0.010 0.000 0.234 351 R C 1.086 177.045 176.300 -0.569 0.000 1.134 351 R CA 2.058 57.507 56.100 -1.085 0.000 0.952 351 R CB -0.040 29.646 30.300 -1.024 0.000 0.850 351 R HN 0.095 nan 8.270 nan 0.000 0.433 352 D N -0.138 120.041 120.400 -0.370 0.000 2.183 352 D HA -0.105 4.541 4.640 0.010 0.000 0.203 352 D C 1.876 178.062 176.300 -0.190 0.000 0.969 352 D CA 0.618 54.476 54.000 -0.238 0.000 0.842 352 D CB -0.248 40.451 40.800 -0.170 0.000 0.957 352 D HN 0.203 nan 8.370 nan 0.000 0.484 353 R N -0.005 120.390 120.500 -0.174 0.000 2.103 353 R HA -0.121 4.225 4.340 0.010 0.000 0.242 353 R C 1.950 178.159 176.300 -0.152 0.000 1.142 353 R CA 1.068 57.092 56.100 -0.127 0.000 0.960 353 R CB -0.063 30.189 30.300 -0.080 0.000 0.858 353 R HN 0.135 nan 8.270 nan 0.000 0.439 354 M N -0.173 119.294 119.600 -0.221 0.000 2.254 354 M HA -0.102 4.385 4.480 0.010 0.000 0.265 354 M C 2.234 178.370 176.300 -0.272 0.000 1.066 354 M CA 0.961 56.124 55.300 -0.229 0.000 1.123 354 M CB -0.284 32.152 32.600 -0.273 0.000 1.388 354 M HN 0.032 nan 8.290 nan 0.000 0.425 355 V N 0.178 119.937 119.914 -0.257 0.000 2.261 355 V HA -0.284 3.842 4.120 0.010 0.000 0.246 355 V C 2.411 178.376 176.094 -0.215 0.000 1.047 355 V CA 1.616 63.786 62.300 -0.216 0.000 1.015 355 V CB -0.632 31.091 31.823 -0.166 0.000 0.642 355 V HN 0.438 nan 8.190 nan 0.000 0.446 356 R N -0.322 120.066 120.500 -0.186 0.000 2.115 356 R HA -0.213 4.133 4.340 0.010 0.000 0.239 356 R C 2.322 178.474 176.300 -0.247 0.000 1.133 356 R CA 1.992 57.989 56.100 -0.171 0.000 0.935 356 R CB -0.710 29.516 30.300 -0.123 0.000 0.853 356 R HN 0.395 nan 8.270 nan 0.000 0.433 357 L N 0.717 121.764 121.223 -0.292 0.000 2.013 357 L HA -0.247 4.099 4.340 0.010 0.000 0.212 357 L C 2.574 178.916 176.870 -0.881 0.000 1.073 357 L CA 1.567 56.118 54.840 -0.482 0.000 0.753 357 L CB -0.656 41.187 42.059 -0.361 0.000 0.890 357 L HN 0.286 nan 8.230 nan 0.000 0.432 358 L N -0.461 120.309 121.223 -0.755 0.000 2.046 358 L HA -0.216 4.130 4.340 0.010 0.000 0.208 358 L C 2.358 178.936 176.870 -0.486 0.000 1.077 358 L CA 1.065 55.462 54.840 -0.739 0.000 0.747 358 L CB -0.612 41.145 42.059 -0.504 0.000 0.896 358 L HN 0.350 nan 8.230 nan 0.000 0.432 359 N N -0.374 118.126 118.700 -0.333 0.000 2.244 359 N HA -0.153 4.594 4.740 0.010 0.000 0.183 359 N C 2.111 177.489 175.510 -0.220 0.000 1.016 359 N CA 1.452 54.370 53.050 -0.220 0.000 0.866 359 N CB -0.215 38.182 38.487 -0.150 0.000 0.980 359 N HN 0.318 nan 8.380 nan 0.000 0.430 360 S N -0.218 115.329 115.700 -0.256 0.000 2.428 360 S HA -0.126 4.350 4.470 0.010 0.000 0.240 360 S C 1.478 175.971 174.600 -0.179 0.000 1.036 360 S CA 1.237 59.327 58.200 -0.183 0.000 1.009 360 S CB -0.127 62.975 63.200 -0.163 0.000 0.803 360 S HN 0.095 nan 8.310 nan 0.000 0.486 361 V N -0.011 119.730 119.914 -0.288 0.000 3.252 361 V HA 0.492 4.618 4.120 0.010 0.000 0.320 361 V C 1.275 177.165 176.094 -0.340 0.000 1.459 361 V CA 0.318 62.406 62.300 -0.354 0.000 1.095 361 V CB -0.132 31.354 31.823 -0.562 0.000 0.997 361 V HN 0.765 nan 8.190 nan 0.000 0.469 362 G N 1.165 109.831 108.800 -0.223 0.000 2.148 362 G HA2 -0.246 3.720 3.960 0.010 0.000 0.254 362 G HA3 -0.246 3.720 3.960 0.010 0.000 0.254 362 G C 0.157 174.983 174.900 -0.124 0.000 0.981 362 G CA 0.387 45.402 45.100 -0.142 0.000 0.670 362 G HN 0.467 nan 8.290 nan 0.000 0.528 363 L N 0.733 121.847 121.223 -0.181 0.000 2.295 363 L HA 0.311 4.657 4.340 0.010 0.000 0.288 363 L C 0.974 177.812 176.870 -0.053 0.000 1.079 363 L CA -0.399 54.382 54.840 -0.098 0.000 0.830 363 L CB 1.117 43.104 42.059 -0.120 0.000 1.200 363 L HN 0.102 nan 8.230 nan 0.000 0.438 364 K N 6.789 127.214 120.400 0.042 0.000 2.278 364 K HA 0.236 4.562 4.320 0.010 0.000 0.289 364 K C -2.253 174.459 176.600 0.186 0.000 1.080 364 K CA -1.489 54.872 56.287 0.123 0.000 0.934 364 K CB 0.672 33.278 32.500 0.175 0.000 1.093 364 K HN 0.223 nan 8.250 nan 0.000 0.459 365 P HA 0.171 nan 4.420 nan 0.000 0.279 365 P C -0.568 176.748 177.300 0.026 0.000 1.252 365 P CA -0.299 62.819 63.100 0.030 0.000 0.811 365 P CB 1.096 32.767 31.700 -0.048 0.000 1.035 366 I N 1.670 122.169 120.570 -0.118 0.000 2.371 366 I HA 0.153 4.329 4.170 0.010 0.000 0.282 366 I C 0.140 176.203 176.117 -0.089 0.000 1.031 366 I CA -1.143 60.008 61.300 -0.248 0.000 1.180 366 I CB 1.415 39.077 38.000 -0.564 0.000 1.336 366 I HN -0.014 nan 8.210 nan 0.000 0.467 367 V N 8.775 128.681 119.914 -0.012 0.000 2.493 367 V HA 0.064 4.190 4.120 0.010 0.000 0.292 367 V C -1.884 174.236 176.094 0.043 0.000 1.016 367 V CA -1.012 61.294 62.300 0.010 0.000 1.097 367 V CB -0.321 31.521 31.823 0.031 0.000 0.947 367 V HN 0.548 nan 8.190 nan 0.000 0.479 368 P HA 0.256 nan 4.420 nan 0.000 0.285 368 P C -0.049 177.360 177.300 0.182 0.000 1.259 368 P CA -0.457 62.717 63.100 0.124 0.000 0.794 368 P CB 1.034 32.868 31.700 0.224 0.000 0.940 369 D N 1.050 121.450 120.400 -0.000 0.000 2.348 369 D HA 0.091 4.738 4.640 0.010 0.000 0.216 369 D C 1.119 177.379 176.300 -0.067 0.000 0.970 369 D CA 1.020 54.920 54.000 -0.167 0.000 0.889 369 D CB 0.210 40.490 40.800 -0.868 0.000 0.912 369 D HN 0.585 nan 8.370 nan 0.000 0.524 370 G N -1.337 107.429 108.800 -0.057 0.000 2.523 370 G HA2 0.473 4.439 3.960 0.010 0.000 0.291 370 G HA3 0.473 4.439 3.960 0.010 0.000 0.291 370 G C -0.125 174.683 174.900 -0.152 0.000 1.450 370 G CA -0.009 44.903 45.100 -0.312 0.000 0.790 370 G HN 0.311 nan 8.290 nan 0.000 0.496 371 G N -1.055 107.563 108.800 -0.304 0.000 2.750 371 G HA2 0.192 4.158 3.960 0.010 0.000 0.228 371 G HA3 0.192 4.158 3.960 0.010 0.000 0.228 371 G C 0.090 174.788 174.900 -0.338 0.000 1.367 371 G CA 0.662 45.445 45.100 -0.529 0.000 0.871 371 G HN 2.302 nan 8.290 nan 0.000 0.560 372 Y N -3.027 116.827 120.300 -0.743 0.000 2.666 372 Y HA 0.730 5.287 4.550 0.012 0.000 0.264 372 Y C -0.132 174.921 175.900 -1.412 0.000 1.054 372 Y CA -1.411 55.913 58.100 -1.292 0.000 1.121 372 Y CB 0.060 37.819 38.460 -1.169 0.000 1.190 372 Y HN 0.346 nan 8.280 nan 0.000 0.587 373 F N 2.170 122.026 119.950 -0.156 0.000 2.546 373 F HA 0.608 5.141 4.527 0.009 0.000 0.320 373 F C -0.537 175.476 175.800 0.355 0.000 1.076 373 F CA -1.861 56.203 58.000 0.106 0.000 0.928 373 F CB 2.205 41.207 39.000 0.003 0.000 1.189 373 F HN 0.067 nan 8.300 nan 0.000 0.465 374 I N 3.759 124.706 120.570 0.629 0.000 2.436 374 I HA 0.523 4.700 4.170 0.010 0.000 0.289 374 I C -1.105 175.203 176.117 0.319 0.000 1.010 374 I CA -0.466 61.073 61.300 0.399 0.000 1.098 374 I CB 0.920 39.096 38.000 0.294 0.000 1.266 374 I HN 0.478 nan 8.210 nan 0.000 0.434 375 I N 7.147 127.796 120.570 0.131 0.000 2.532 375 I HA 0.558 4.734 4.170 0.010 0.000 0.292 375 I C 0.176 176.340 176.117 0.079 0.000 1.014 375 I CA -0.227 61.113 61.300 0.066 0.000 1.340 375 I CB 1.532 39.467 38.000 -0.109 0.000 1.422 375 I HN 0.699 nan 8.210 nan 0.000 0.528 376 A N 4.807 127.720 122.820 0.156 0.000 2.381 376 A HA 0.370 4.696 4.320 0.010 0.000 0.299 376 A C -0.999 176.666 177.584 0.135 0.000 1.049 376 A CA -0.662 51.469 52.037 0.157 0.000 0.715 376 A CB 1.224 20.378 19.000 0.258 0.000 1.222 376 A HN 0.638 nan 8.150 nan 0.000 0.428 377 D N 1.630 122.135 120.400 0.175 0.000 2.389 377 D HA 0.297 4.943 4.640 0.010 0.000 0.247 377 D C 0.398 176.740 176.300 0.069 0.000 1.128 377 D CA 0.407 54.518 54.000 0.186 0.000 0.884 377 D CB 1.784 42.809 40.800 0.374 0.000 1.194 377 D HN 0.158 nan 8.370 nan 0.000 0.441 378 V N 2.522 122.425 119.914 -0.019 0.000 3.473 378 V HA -0.130 3.996 4.120 0.010 0.000 0.253 378 V C 2.179 178.242 176.094 -0.052 0.000 1.340 378 V CA 0.997 63.205 62.300 -0.153 0.000 1.103 378 V CB 0.137 31.643 31.823 -0.528 0.000 0.881 378 V HN 0.710 nan 8.190 nan 0.000 0.451 379 S N 1.241 116.907 115.700 -0.056 0.000 2.393 379 S HA -0.243 4.233 4.470 0.010 0.000 0.234 379 S C 1.533 176.106 174.600 -0.044 0.000 1.064 379 S CA 1.919 60.052 58.200 -0.112 0.000 1.088 379 S CB -0.773 62.355 63.200 -0.120 0.000 0.939 379 S HN 0.846 nan 8.310 nan 0.000 0.448 380 S N 2.108 117.799 115.700 -0.015 0.000 3.208 380 S HA 0.596 5.072 4.470 0.010 0.000 0.195 380 S C 0.044 174.664 174.600 0.033 0.000 1.394 380 S CA -0.964 57.236 58.200 -0.000 0.000 1.127 380 S CB -0.708 62.481 63.200 -0.017 0.000 1.282 380 S HN 0.439 nan 8.310 nan 0.000 0.513 381 L N 0.409 121.680 121.223 0.080 0.000 2.558 381 L HA 0.729 5.075 4.340 0.010 0.000 0.260 381 L C 1.260 178.183 176.870 0.088 0.000 1.130 381 L CA -1.407 53.499 54.840 0.110 0.000 1.049 381 L CB -0.435 41.747 42.059 0.206 0.000 1.758 381 L HN 0.465 nan 8.230 nan 0.000 0.555 382 G N -0.604 108.251 108.800 0.090 0.000 2.187 382 G HA2 0.188 4.155 3.960 0.010 0.000 0.239 382 G HA3 0.188 4.155 3.960 0.010 0.000 0.239 382 G C 0.539 175.450 174.900 0.018 0.000 1.200 382 G CA 0.455 45.583 45.100 0.046 0.000 0.888 382 G HN 0.794 nan 8.290 nan 0.000 0.482 383 A N 1.669 124.514 122.820 0.041 0.000 2.085 383 A HA 0.261 4.587 4.320 0.010 0.000 0.208 383 A C 1.564 179.167 177.584 0.031 0.000 1.191 383 A CA 1.243 53.354 52.037 0.124 0.000 0.799 383 A CB 0.082 19.172 19.000 0.152 0.000 0.877 383 A HN 0.795 nan 8.150 nan 0.000 0.473 384 D N -1.962 118.426 120.400 -0.020 0.000 2.758 384 D HA -0.169 4.477 4.640 0.010 0.000 0.191 384 D C -0.148 176.101 176.300 -0.085 0.000 1.036 384 D CA 1.462 55.405 54.000 -0.095 0.000 1.030 384 D CB -0.971 39.651 40.800 -0.297 0.000 1.109 384 D HN 0.458 nan 8.370 nan 0.000 0.430 385 L N 0.918 122.106 121.223 -0.058 0.000 2.828 385 L HA 0.288 4.635 4.340 0.010 0.000 0.233 385 L C 1.402 178.285 176.870 0.022 0.000 1.250 385 L CA -0.286 54.532 54.840 -0.036 0.000 1.125 385 L CB 1.211 43.203 42.059 -0.111 0.000 1.432 385 L HN -0.203 nan 8.230 nan 0.000 0.444 386 S N 0.461 116.184 115.700 0.038 0.000 2.501 386 S HA -0.084 4.392 4.470 0.010 0.000 0.220 386 S C 1.469 176.095 174.600 0.044 0.000 0.997 386 S CA 0.786 59.011 58.200 0.041 0.000 0.919 386 S CB 0.022 63.245 63.200 0.038 0.000 0.778 386 S HN 0.829 nan 8.310 nan 0.000 0.523 387 D N 0.921 121.357 120.400 0.061 0.000 2.271 387 D HA -0.141 4.505 4.640 0.010 0.000 0.207 387 D C 1.485 177.811 176.300 0.043 0.000 0.983 387 D CA 1.328 55.366 54.000 0.063 0.000 0.878 387 D CB -0.060 40.800 40.800 0.100 0.000 0.920 387 D HN 0.398 nan 8.370 nan 0.000 0.479 388 M N -0.909 118.713 119.600 0.037 0.000 2.724 388 M HA 0.078 4.564 4.480 0.010 0.000 0.231 388 M C 0.376 176.687 176.300 0.019 0.000 1.568 388 M CA 0.166 55.482 55.300 0.026 0.000 1.153 388 M CB -0.036 32.580 32.600 0.025 0.000 1.345 388 M HN -0.014 nan 8.290 nan 0.000 0.555 389 N N 2.180 120.895 118.700 0.025 0.000 2.938 389 N HA -0.010 4.737 4.740 0.010 0.000 0.286 389 N C -0.167 175.355 175.510 0.021 0.000 1.316 389 N CA 0.060 53.126 53.050 0.028 0.000 1.063 389 N CB -0.378 38.136 38.487 0.045 0.000 1.388 389 N HN 0.183 nan 8.380 nan 0.000 0.545 390 S N 0.387 116.093 115.700 0.010 0.000 3.480 390 S HA -0.205 4.271 4.470 0.010 0.000 0.411 390 S C 0.156 174.754 174.600 -0.003 0.000 1.164 390 S CA -0.091 58.108 58.200 -0.002 0.000 1.084 390 S CB 0.029 63.221 63.200 -0.012 0.000 0.759 390 S HN 0.582 nan 8.310 nan 0.000 0.515 391 D N 2.407 122.807 120.400 -0.001 0.000 2.973 391 D HA 0.147 4.793 4.640 0.010 0.000 0.263 391 D C 0.373 176.663 176.300 -0.016 0.000 1.266 391 D CA -0.731 53.274 54.000 0.009 0.000 0.975 391 D CB -0.215 40.600 40.800 0.026 0.000 1.032 391 D HN 0.847 nan 8.370 nan 0.000 0.510 392 E N 0.166 120.331 120.200 -0.059 0.000 2.409 392 E HA 0.297 4.654 4.350 0.010 0.000 0.257 392 E C -2.248 174.334 176.600 -0.029 0.000 1.150 392 E CA -1.697 54.633 56.400 -0.117 0.000 0.942 392 E CB -0.315 29.226 29.700 -0.266 0.000 0.979 392 E HN 0.067 nan 8.360 nan 0.000 0.447 393 P HA -0.128 nan 4.420 nan 0.000 0.266 393 P C -0.503 176.955 177.300 0.264 0.000 1.193 393 P CA 0.153 63.378 63.100 0.209 0.000 0.770 393 P CB 0.212 32.134 31.700 0.369 0.000 0.836 394 Y N 3.544 123.925 120.300 0.136 0.000 2.070 394 Y HA -0.345 4.211 4.550 0.010 0.000 0.280 394 Y C 2.029 178.032 175.900 0.171 0.000 1.148 394 Y CA 2.545 60.720 58.100 0.125 0.000 1.125 394 Y CB -0.586 37.919 38.460 0.076 0.000 0.975 394 Y HN 0.441 nan 8.280 nan 0.000 0.492 395 D N -0.850 119.731 120.400 0.303 0.000 2.149 395 D HA -0.335 4.311 4.640 0.010 0.000 0.194 395 D C 1.895 178.244 176.300 0.080 0.000 1.001 395 D CA 2.151 56.239 54.000 0.147 0.000 0.849 395 D CB -1.437 39.399 40.800 0.061 0.000 0.939 395 D HN 0.561 nan 8.370 nan 0.000 0.449 396 Y N 1.256 121.563 120.300 0.010 0.000 2.097 396 Y HA -0.150 4.406 4.550 0.011 0.000 0.282 396 Y C 2.686 178.584 175.900 -0.003 0.000 1.152 396 Y CA 1.837 59.932 58.100 -0.008 0.000 1.136 396 Y CB -0.215 38.258 38.460 0.022 0.000 0.975 396 Y HN -0.063 nan 8.280 nan 0.000 0.498 397 K N -0.593 119.900 120.400 0.154 0.000 2.032 397 K HA -0.243 4.084 4.320 0.010 0.000 0.209 397 K C 1.961 178.577 176.600 0.027 0.000 1.048 397 K CA 2.043 58.350 56.287 0.034 0.000 0.927 397 K CB -0.667 31.789 32.500 -0.073 0.000 0.712 397 K HN 0.229 nan 8.250 nan 0.000 0.441 398 F N 1.301 121.123 119.950 -0.214 0.000 2.126 398 F HA -0.246 4.287 4.527 0.011 0.000 0.299 398 F C 1.942 177.815 175.800 0.121 0.000 1.096 398 F CA 1.154 59.100 58.000 -0.090 0.000 1.255 398 F CB -0.072 38.829 39.000 -0.164 0.000 0.997 398 F HN -0.244 nan 8.300 nan 0.000 0.479 399 V N 0.468 120.558 119.914 0.293 0.000 2.490 399 V HA -0.297 3.829 4.120 0.010 0.000 0.250 399 V C 2.351 178.456 176.094 0.018 0.000 1.061 399 V CA 2.014 64.390 62.300 0.127 0.000 1.064 399 V CB -0.608 31.153 31.823 -0.103 0.000 0.670 399 V HN 0.292 nan 8.190 nan 0.000 0.461 400 K N -1.431 118.992 120.400 0.038 0.000 2.001 400 K HA -0.233 4.093 4.320 0.010 0.000 0.208 400 K C 1.943 178.522 176.600 -0.034 0.000 1.048 400 K CA 1.921 58.210 56.287 0.004 0.000 0.932 400 K CB -0.321 32.203 32.500 0.039 0.000 0.715 400 K HN 0.582 nan 8.250 nan 0.000 0.437 401 W N 1.835 123.014 121.300 -0.201 0.000 2.302 401 W HA -0.294 4.372 4.660 0.010 0.000 0.320 401 W C 2.134 178.477 176.519 -0.293 0.000 1.241 401 W CA 2.160 59.370 57.345 -0.225 0.000 1.264 401 W CB -0.242 29.062 29.460 -0.259 0.000 1.154 401 W HN 0.033 nan 8.180 nan 0.000 0.483 402 M N 0.027 119.546 119.600 -0.134 0.000 2.374 402 M HA -0.133 4.354 4.480 0.010 0.000 0.264 402 M C 1.549 177.626 176.300 -0.371 0.000 1.067 402 M CA 2.063 57.147 55.300 -0.360 0.000 1.103 402 M CB -0.328 32.289 32.600 0.027 0.000 1.402 402 M HN -0.083 nan 8.290 nan 0.000 0.444 403 T N 0.831 115.226 114.554 -0.264 0.000 2.698 403 T HA -0.136 4.220 4.350 0.010 0.000 0.260 403 T C 1.699 176.195 174.700 -0.340 0.000 1.044 403 T CA 1.605 63.562 62.100 -0.237 0.000 1.149 403 T CB -0.145 68.630 68.868 -0.155 0.000 0.864 403 T HN 0.418 nan 8.240 nan 0.000 0.419 404 K N -0.056 120.081 120.400 -0.437 0.000 2.009 404 K HA -0.162 4.164 4.320 0.010 0.000 0.210 404 K C 2.274 178.461 176.600 -0.690 0.000 1.049 404 K CA 1.502 57.445 56.287 -0.573 0.000 0.929 404 K CB -0.060 31.990 32.500 -0.751 0.000 0.714 404 K HN 0.431 nan 8.250 nan 0.000 0.440 405 H N -0.806 117.862 119.070 -0.670 0.000 2.547 405 H HA 0.108 4.670 4.556 0.010 0.000 0.272 405 H C 1.219 176.111 175.328 -0.726 0.000 0.971 405 H CA 0.717 56.312 56.048 -0.755 0.000 1.245 405 H CB 0.672 29.767 29.762 -1.110 0.000 1.440 405 H HN 0.066 nan 8.280 nan 0.000 0.540 406 K N 0.450 120.449 120.400 -0.668 0.000 2.402 406 K HA 0.115 4.442 4.320 0.010 0.000 0.203 406 K C 0.554 176.929 176.600 -0.375 0.000 1.077 406 K CA -0.086 55.840 56.287 -0.601 0.000 1.051 406 K CB 1.309 33.265 32.500 -0.908 0.000 0.907 406 K HN 0.120 nan 8.250 nan 0.000 0.554 407 K N 0.693 120.900 120.400 -0.322 0.000 3.130 407 K HA -0.210 4.117 4.320 0.010 0.000 0.282 407 K C -0.293 176.217 176.600 -0.149 0.000 1.145 407 K CA 0.411 56.571 56.287 -0.212 0.000 0.831 407 K CB -1.555 30.839 32.500 -0.176 0.000 1.226 407 K HN 0.002 nan 8.250 nan 0.000 0.478 408 L N 1.566 122.706 121.223 -0.138 0.000 2.296 408 L HA 0.274 4.620 4.340 0.010 0.000 0.286 408 L C 0.506 177.386 176.870 0.017 0.000 1.023 408 L CA 0.153 54.984 54.840 -0.015 0.000 0.812 408 L CB 1.539 43.639 42.059 0.069 0.000 1.223 408 L HN 0.215 nan 8.230 nan 0.000 0.421 409 T N 2.085 116.651 114.554 0.019 0.000 2.929 409 T HA 0.967 5.323 4.350 0.010 0.000 0.284 409 T C -0.210 174.460 174.700 -0.050 0.000 1.014 409 T CA -0.257 61.824 62.100 -0.031 0.000 1.051 409 T CB 1.897 70.724 68.868 -0.067 0.000 1.028 409 T HN 0.840 nan 8.240 nan 0.000 0.485 410 A N 1.708 124.410 122.820 -0.197 0.000 2.533 410 A HA 0.780 5.106 4.320 0.010 0.000 0.293 410 A C -1.513 175.795 177.584 -0.460 0.000 1.228 410 A CA -0.986 50.821 52.037 -0.384 0.000 0.689 410 A CB 1.202 19.727 19.000 -0.791 0.000 1.303 410 A HN 0.729 nan 8.150 nan 0.000 0.444 411 I N 1.632 121.913 120.570 -0.482 0.000 2.406 411 I HA 0.382 4.558 4.170 0.010 0.000 0.290 411 I C -2.475 173.324 176.117 -0.531 0.000 0.999 411 I CA -2.477 58.427 61.300 -0.660 0.000 1.124 411 I CB 1.356 39.069 38.000 -0.479 0.000 1.289 411 I HN 0.342 nan 8.210 nan 0.000 0.441 412 P HA 0.084 nan 4.420 nan 0.000 0.271 412 P C 0.937 178.035 177.300 -0.337 0.000 1.226 412 P CA -0.003 62.797 63.100 -0.499 0.000 0.765 412 P CB 1.550 32.775 31.700 -0.792 0.000 0.835 413 V N 3.387 123.228 119.914 -0.120 0.000 2.594 413 V HA -0.237 3.889 4.120 0.010 0.000 0.253 413 V C 2.661 178.757 176.094 0.003 0.000 1.069 413 V CA 2.605 64.923 62.300 0.030 0.000 1.082 413 V CB -1.430 30.402 31.823 0.014 0.000 0.680 413 V HN 0.671 nan 8.190 nan 0.000 0.469 414 S N 1.390 117.076 115.700 -0.023 0.000 2.440 414 S HA -0.213 4.264 4.470 0.010 0.000 0.240 414 S C 1.911 176.467 174.600 -0.072 0.000 1.014 414 S CA 1.319 59.534 58.200 0.024 0.000 0.980 414 S CB -0.586 62.695 63.200 0.136 0.000 0.775 414 S HN 0.636 nan 8.310 nan 0.000 0.499 415 A N -0.040 122.644 122.820 -0.226 0.000 2.239 415 A HA 0.350 4.676 4.320 0.010 0.000 0.209 415 A C 0.857 178.108 177.584 -0.556 0.000 1.171 415 A CA 0.286 52.128 52.037 -0.325 0.000 0.768 415 A CB -0.684 18.051 19.000 -0.441 0.000 0.790 415 A HN 0.572 nan 8.150 nan 0.000 0.478 416 F N -1.066 118.698 119.950 -0.310 0.000 2.855 416 F HA 0.305 4.838 4.527 0.011 0.000 0.317 416 F C 0.051 175.283 175.800 -0.947 0.000 1.169 416 F CA -0.704 56.925 58.000 -0.618 0.000 1.299 416 F CB 0.307 39.011 39.000 -0.494 0.000 0.962 416 F HN 0.044 nan 8.300 nan 0.000 0.506 417 C N 0.881 119.868 119.300 -0.522 0.000 2.698 417 C HA 0.353 4.820 4.460 0.010 0.000 0.309 417 C C -0.436 174.447 174.990 -0.179 0.000 1.186 417 C CA -1.440 57.361 59.018 -0.361 0.000 1.474 417 C CB 1.272 28.908 27.740 -0.172 0.000 2.020 417 C HN 0.483 nan 8.230 nan 0.000 0.474 418 D N 1.290 121.587 120.400 -0.172 0.000 2.472 418 D HA -0.037 4.609 4.640 0.010 0.000 0.237 418 D C 1.219 177.447 176.300 -0.119 0.000 1.141 418 D CA 0.589 54.389 54.000 -0.332 0.000 0.875 418 D CB 0.625 40.702 40.800 -1.204 0.000 1.192 418 D HN 0.608 nan 8.370 nan 0.000 0.450 419 S N 2.087 117.764 115.700 -0.038 0.000 2.399 419 S HA -0.325 4.151 4.470 0.010 0.000 0.235 419 S C 1.481 176.113 174.600 0.053 0.000 1.063 419 S CA 1.701 59.916 58.200 0.025 0.000 1.070 419 S CB -0.165 63.060 63.200 0.043 0.000 0.904 419 S HN 0.447 nan 8.310 nan 0.000 0.456 420 K N 0.903 121.333 120.400 0.051 0.000 2.504 420 K HA 0.286 4.613 4.320 0.010 0.000 0.195 420 K C 2.050 178.760 176.600 0.184 0.000 1.036 420 K CA 0.694 57.047 56.287 0.109 0.000 0.984 420 K CB -0.326 32.243 32.500 0.115 0.000 0.788 420 K HN 0.338 nan 8.250 nan 0.000 0.488 421 S N -0.233 115.572 115.700 0.175 0.000 2.497 421 S HA 0.079 4.556 4.470 0.010 0.000 0.218 421 S C 1.204 176.056 174.600 0.422 0.000 1.023 421 S CA 0.060 58.468 58.200 0.347 0.000 0.913 421 S CB 0.258 63.629 63.200 0.284 0.000 0.800 421 S HN 0.233 nan 8.310 nan 0.000 0.505 422 K N 1.789 122.334 120.400 0.241 0.000 2.059 422 K HA -0.132 4.195 4.320 0.010 0.000 0.212 422 K C -1.071 175.643 176.600 0.191 0.000 1.050 422 K CA 1.667 58.088 56.287 0.223 0.000 0.927 422 K CB -1.356 31.232 32.500 0.146 0.000 0.714 422 K HN 0.265 nan 8.250 nan 0.000 0.447 423 P HA -0.148 nan 4.420 nan 0.000 0.219 423 P C 0.403 177.542 177.300 -0.269 0.000 1.146 423 P CA 1.342 64.362 63.100 -0.133 0.000 0.808 423 P CB -0.019 31.528 31.700 -0.254 0.000 0.779 424 H N -3.648 115.449 119.070 0.046 0.000 2.555 424 H HA 0.134 4.697 4.556 0.011 0.000 0.269 424 H C 0.631 175.723 175.328 -0.394 0.000 0.988 424 H CA 0.779 56.716 56.048 -0.184 0.000 1.178 424 H CB -0.466 29.125 29.762 -0.285 0.000 1.373 424 H HN 0.209 nan 8.280 nan 0.000 0.588 425 F N -0.991 119.052 119.950 0.156 0.000 2.915 425 F HA 0.130 4.663 4.527 0.010 0.000 0.347 425 F C 1.395 177.245 175.800 0.084 0.000 1.104 425 F CA -0.273 57.806 58.000 0.131 0.000 1.126 425 F CB 0.584 39.644 39.000 0.100 0.000 1.145 425 F HN 0.192 nan 8.300 nan 0.000 0.541 426 E N 0.008 120.337 120.200 0.215 0.000 2.502 426 E HA -0.007 4.349 4.350 0.010 0.000 0.194 426 E C 0.861 177.580 176.600 0.198 0.000 1.062 426 E CA 0.410 56.927 56.400 0.195 0.000 0.867 426 E CB -0.077 29.741 29.700 0.198 0.000 0.888 426 E HN 0.020 nan 8.360 nan 0.000 0.510 427 K N 1.057 121.524 120.400 0.112 0.000 2.476 427 K HA 0.248 4.574 4.320 0.010 0.000 0.196 427 K C 0.050 176.694 176.600 0.074 0.000 1.025 427 K CA 0.104 56.431 56.287 0.067 0.000 1.138 427 K CB 0.073 32.530 32.500 -0.071 0.000 0.860 427 K HN 0.251 nan 8.250 nan 0.000 0.515 428 L N 0.654 121.938 121.223 0.101 0.000 2.329 428 L HA 0.453 4.800 4.340 0.010 0.000 0.279 428 L C -0.425 176.447 176.870 0.003 0.000 1.014 428 L CA -1.080 53.805 54.840 0.075 0.000 0.814 428 L CB 2.021 44.154 42.059 0.123 0.000 1.257 428 L HN -0.328 nan 8.230 nan 0.000 0.424 429 V N 3.135 123.041 119.914 -0.014 0.000 2.709 429 V HA 0.461 4.587 4.120 0.010 0.000 0.308 429 V C -0.332 175.703 176.094 -0.099 0.000 1.062 429 V CA -0.680 61.560 62.300 -0.101 0.000 0.901 429 V CB 2.453 34.195 31.823 -0.136 0.000 1.003 429 V HN 0.690 nan 8.190 nan 0.000 0.425 430 R N 3.189 123.565 120.500 -0.207 0.000 2.294 430 R HA 0.628 4.974 4.340 0.010 0.000 0.319 430 R C -1.707 174.475 176.300 -0.198 0.000 0.984 430 R CA -0.305 55.735 56.100 -0.099 0.000 0.861 430 R CB 0.909 31.157 30.300 -0.087 0.000 1.104 430 R HN 0.546 nan 8.270 nan 0.000 0.451 431 F N 2.532 122.623 119.950 0.235 0.000 2.492 431 F HA 0.439 4.972 4.527 0.010 0.000 0.327 431 F C 0.170 176.230 175.800 0.433 0.000 1.079 431 F CA -0.708 57.476 58.000 0.306 0.000 0.967 431 F CB 1.649 40.829 39.000 0.299 0.000 1.169 431 F HN 0.411 nan 8.300 nan 0.000 0.472 432 C N 3.978 123.610 119.300 0.554 0.000 2.382 432 C HA 0.657 5.123 4.460 0.010 0.000 0.327 432 C C 0.255 175.400 174.990 0.258 0.000 1.250 432 C CA -0.705 58.523 59.018 0.351 0.000 1.707 432 C CB -0.584 27.326 27.740 0.284 0.000 2.272 432 C HN 0.836 nan 8.230 nan 0.000 0.506 433 F N 3.594 123.570 119.950 0.043 0.000 2.775 433 F HA 0.426 4.959 4.527 0.010 0.000 0.313 433 F C 0.056 175.816 175.800 -0.066 0.000 1.121 433 F CA -0.659 57.355 58.000 0.024 0.000 1.206 433 F CB -0.545 38.488 39.000 0.055 0.000 1.052 433 F HN 0.392 nan 8.300 nan 0.000 0.524 434 I N 3.142 123.483 120.570 -0.383 0.000 2.270 434 I HA 0.272 4.449 4.170 0.010 0.000 0.294 434 I C -0.807 175.195 176.117 -0.191 0.000 1.164 434 I CA 0.130 61.205 61.300 -0.375 0.000 1.680 434 I CB -0.582 36.888 38.000 -0.882 0.000 1.494 434 I HN 0.003 nan 8.210 nan 0.000 0.767 435 K N 6.118 126.504 120.400 -0.024 0.000 2.426 435 K HA 0.371 4.698 4.320 0.010 0.000 0.251 435 K C -0.710 175.911 176.600 0.035 0.000 0.941 435 K CA -0.767 55.531 56.287 0.019 0.000 0.808 435 K CB 1.912 34.462 32.500 0.084 0.000 1.265 435 K HN 0.414 nan 8.250 nan 0.000 0.432 436 K N 0.959 121.376 120.400 0.028 0.000 2.230 436 K HA 0.095 4.421 4.320 0.010 0.000 0.253 436 K C -0.063 176.564 176.600 0.045 0.000 1.008 436 K CA -0.097 56.209 56.287 0.032 0.000 0.910 436 K CB 0.526 33.040 32.500 0.023 0.000 0.994 436 K HN 0.273 nan 8.250 nan 0.000 0.495 437 D N 1.246 121.670 120.400 0.040 0.000 2.106 437 D HA -0.174 4.472 4.640 0.010 0.000 0.191 437 D C 1.922 178.249 176.300 0.044 0.000 0.997 437 D CA 2.102 56.127 54.000 0.042 0.000 0.834 437 D CB -0.559 40.262 40.800 0.034 0.000 0.956 437 D HN 0.674 nan 8.370 nan 0.000 0.448 438 S N 0.325 116.049 115.700 0.039 0.000 2.399 438 S HA -0.227 4.250 4.470 0.010 0.000 0.235 438 S C 2.079 176.707 174.600 0.047 0.000 1.063 438 S CA 2.037 60.260 58.200 0.039 0.000 1.070 438 S CB -0.906 62.315 63.200 0.035 0.000 0.904 438 S HN 0.356 nan 8.310 nan 0.000 0.456 439 T N 2.590 117.178 114.554 0.057 0.000 2.851 439 T HA 0.192 4.548 4.350 0.010 0.000 0.262 439 T C 1.817 176.566 174.700 0.081 0.000 1.043 439 T CA 0.874 63.016 62.100 0.069 0.000 1.140 439 T CB -0.412 68.505 68.868 0.083 0.000 0.872 439 T HN 0.281 nan 8.240 nan 0.000 0.446 440 L N 1.190 122.465 121.223 0.086 0.000 2.056 440 L HA -0.071 4.275 4.340 0.010 0.000 0.207 440 L C 2.493 179.416 176.870 0.089 0.000 1.078 440 L CA 1.040 55.941 54.840 0.102 0.000 0.749 440 L CB -0.800 41.317 42.059 0.096 0.000 0.901 440 L HN 0.112 nan 8.230 nan 0.000 0.433 441 D N 1.093 121.533 120.400 0.067 0.000 2.230 441 D HA -0.296 4.350 4.640 0.010 0.000 0.189 441 D C 2.196 178.528 176.300 0.054 0.000 1.006 441 D CA 2.038 56.072 54.000 0.057 0.000 0.853 441 D CB -0.303 40.523 40.800 0.043 0.000 0.959 441 D HN 0.353 nan 8.370 nan 0.000 0.449 442 A N 0.776 123.622 122.820 0.043 0.000 2.084 442 A HA -0.093 4.233 4.320 0.010 0.000 0.221 442 A C 2.273 179.864 177.584 0.011 0.000 1.161 442 A CA 2.471 54.523 52.037 0.024 0.000 0.653 442 A CB -0.583 18.429 19.000 0.021 0.000 0.802 442 A HN 0.299 nan 8.150 nan 0.000 0.457 443 A N -0.521 122.322 122.820 0.039 0.000 1.872 443 A HA -0.104 4.223 4.320 0.010 0.000 0.214 443 A C 1.917 179.534 177.584 0.055 0.000 1.187 443 A CA 1.347 53.390 52.037 0.011 0.000 0.614 443 A CB -0.515 18.563 19.000 0.131 0.000 0.826 443 A HN 0.566 nan 8.150 nan 0.000 0.442 444 E N -0.084 120.211 120.200 0.159 0.000 2.086 444 E HA -0.251 4.105 4.350 0.010 0.000 0.205 444 E C 1.889 178.569 176.600 0.134 0.000 1.027 444 E CA 1.587 58.102 56.400 0.192 0.000 0.830 444 E CB -0.243 29.535 29.700 0.130 0.000 0.751 444 E HN 0.563 nan 8.360 nan 0.000 0.456 445 E N 0.190 120.431 120.200 0.068 0.000 2.209 445 E HA -0.176 4.180 4.350 0.010 0.000 0.196 445 E C 2.099 178.719 176.600 0.033 0.000 0.993 445 E CA 0.796 57.224 56.400 0.047 0.000 0.819 445 E CB -0.256 29.457 29.700 0.022 0.000 0.745 445 E HN 0.430 nan 8.360 nan 0.000 0.477 446 I N -0.311 120.245 120.570 -0.024 0.000 2.400 446 I HA -0.167 4.009 4.170 0.010 0.000 0.248 446 I C 1.855 178.007 176.117 0.057 0.000 1.109 446 I CA 0.533 61.782 61.300 -0.085 0.000 1.425 446 I CB -0.119 37.745 38.000 -0.226 0.000 1.094 446 I HN -0.067 nan 8.210 nan 0.000 0.425 447 F N 0.691 120.802 119.950 0.269 0.000 2.186 447 F HA -0.098 4.435 4.527 0.011 0.000 0.299 447 F C 2.608 178.560 175.800 0.253 0.000 1.090 447 F CA 1.101 59.308 58.000 0.345 0.000 1.307 447 F CB -0.700 38.394 39.000 0.157 0.000 1.019 447 F HN -0.132 nan 8.300 nan 0.000 0.489 448 R N -0.056 120.638 120.500 0.323 0.000 2.096 448 R HA -0.077 4.269 4.340 0.010 0.000 0.235 448 R C 2.013 178.425 176.300 0.186 0.000 1.127 448 R CA 1.169 57.394 56.100 0.209 0.000 0.968 448 R CB -0.371 30.013 30.300 0.140 0.000 0.861 448 R HN 0.244 nan 8.270 nan 0.000 0.440 449 A N -0.464 122.459 122.820 0.172 0.000 2.275 449 A HA -0.064 4.262 4.320 0.010 0.000 0.212 449 A C 1.373 179.061 177.584 0.173 0.000 1.201 449 A CA -0.308 51.803 52.037 0.123 0.000 0.843 449 A CB -0.532 18.495 19.000 0.046 0.000 0.873 449 A HN 0.558 nan 8.150 nan 0.000 0.492 450 W N 1.344 122.697 121.300 0.088 0.000 2.560 450 W HA -0.049 4.618 4.660 0.011 0.000 0.252 450 W C -0.704 175.878 176.519 0.105 0.000 1.242 450 W CA 1.219 58.633 57.345 0.116 0.000 1.242 450 W CB -0.116 29.475 29.460 0.218 0.000 1.136 450 W HN 0.310 nan 8.180 nan 0.000 0.625 451 N N 0.000 118.882 118.700 0.303 0.000 1.763 451 N HA 0.000 4.746 4.740 0.010 0.000 0.220 451 N CA 0.000 53.189 53.050 0.231 0.000 0.885 451 N CB 0.000 38.639 38.487 0.253 0.000 1.341 451 N HN 0.000 nan 8.380 nan 0.000 0.667