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 2a9z_1_A DATA FIRST_RESID 10 DATA SEQUENCE TGPMRVFAIG NPILDLVAEV PSSFLDEFFL KRGDATLATP EQMRIYSTLD DATA SEQUENCE QFNPTSLPGG SALNSVRVVQ KLLRKPGSAG YMGAIGDDPR GQVLKELCDK DATA SEQUENCE EGLATRFMVA PGQSTGVCAV LINEKERTLC THLGACGSFR LPEDWTTFAS DATA SEQUENCE GALIFYATAY TLTATPKNAL EVAGYAHGIP NAIFTLNLSA PFCVELYKDA DATA SEQUENCE MQSLLLHTNI LFGNEEEFAH LAKVHNLVAA EKTALSTANK EHAVEVCTGA DATA SEQUENCE LRLLTAGQNT SATKLVVMTR GHNPVIAAEQ TADGTVVVHE VGVPVVAAEK DATA SEQUENCE IVDTNGAGDA FVGGFLYALS QGKTVKQCIM CGNACAQDVI QHVGFSLSFT DATA SEQUENCE F 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.686 174.700 -0.023 0.000 1.109 10 T CA 0.000 62.089 62.100 -0.019 0.000 1.349 10 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 11 G N 1.007 109.795 108.800 -0.020 0.000 2.660 11 G HA2 0.305 4.265 3.960 -0.000 0.000 0.215 11 G HA3 0.305 4.265 3.960 -0.000 0.000 0.215 11 G C -2.717 172.177 174.900 -0.010 0.000 1.345 11 G CA 0.100 45.187 45.100 -0.021 0.000 0.877 11 G HN 1.125 nan 8.290 nan 0.000 0.549 12 P HA 0.335 nan 4.420 nan 0.000 0.271 12 P C -0.003 177.290 177.300 -0.012 0.000 1.216 12 P CA -0.198 62.893 63.100 -0.016 0.000 0.771 12 P CB 0.780 32.472 31.700 -0.012 0.000 0.864 13 M N 4.074 123.660 119.600 -0.024 0.000 2.184 13 M HA 0.045 4.525 4.480 -0.000 0.000 0.351 13 M C 1.009 177.310 176.300 0.002 0.000 1.395 13 M CA -0.122 55.173 55.300 -0.009 0.000 1.117 13 M CB 0.561 33.143 32.600 -0.031 0.000 1.708 13 M HN 0.212 nan 8.290 nan 0.000 0.468 14 R N 3.308 123.819 120.500 0.018 0.000 2.225 14 R HA 0.295 4.635 4.340 -0.000 0.000 0.194 14 R C -0.322 175.976 176.300 -0.003 0.000 0.957 14 R CA 0.470 56.572 56.100 0.003 0.000 1.042 14 R CB 0.184 30.491 30.300 0.013 0.000 1.004 14 R HN 0.526 nan 8.270 nan 0.000 0.509 15 V N 1.489 121.430 119.914 0.044 0.000 2.709 15 V HA 0.386 4.506 4.120 -0.000 0.000 0.308 15 V C -1.323 174.878 176.094 0.178 0.000 1.062 15 V CA -1.066 61.272 62.300 0.063 0.000 0.901 15 V CB 2.491 34.355 31.823 0.068 0.000 1.003 15 V HN 0.017 nan 8.190 nan 0.000 0.425 16 F N 3.835 123.824 119.950 0.064 0.000 2.507 16 F HA 0.880 5.407 4.527 -0.000 0.000 0.325 16 F C -0.008 175.972 175.800 0.299 0.000 1.116 16 F CA -0.436 57.704 58.000 0.234 0.000 0.930 16 F CB 1.502 40.712 39.000 0.351 0.000 1.146 16 F HN 0.655 nan 8.300 nan 0.000 0.447 17 A N 6.696 129.104 122.820 -0.686 0.000 2.454 17 A HA 0.825 5.145 4.320 -0.000 0.000 0.302 17 A C -1.174 175.854 177.584 -0.926 0.000 1.079 17 A CA -0.786 50.967 52.037 -0.472 0.000 0.731 17 A CB 1.307 20.326 19.000 0.033 0.000 1.299 17 A HN 0.907 nan 8.150 nan 0.000 0.413 18 I N -1.015 119.197 120.570 -0.597 0.000 2.648 18 I HA 0.976 5.145 4.170 -0.000 0.000 0.304 18 I C 0.193 176.000 176.117 -0.515 0.000 1.009 18 I CA -0.670 60.249 61.300 -0.635 0.000 1.114 18 I CB 2.174 40.029 38.000 -0.242 0.000 1.293 18 I HN 0.854 nan 8.210 nan 0.000 0.449 19 G N 2.760 111.184 108.800 -0.628 0.000 2.606 19 G HA2 0.298 4.258 3.960 -0.000 0.000 0.300 19 G HA3 0.298 4.258 3.960 -0.000 0.000 0.300 19 G C -1.777 173.043 174.900 -0.134 0.000 1.360 19 G CA -0.871 44.112 45.100 -0.195 0.000 0.783 19 G HN 0.588 nan 8.290 nan 0.000 0.484 20 N N 2.145 120.857 118.700 0.020 0.000 2.500 20 N HA 0.395 5.135 4.740 -0.000 0.000 0.236 20 N C -2.665 172.894 175.510 0.082 0.000 1.022 20 N CA -1.021 52.034 53.050 0.009 0.000 0.935 20 N CB 1.672 40.141 38.487 -0.030 0.000 1.147 20 N HN 0.156 nan 8.380 nan 0.000 0.512 21 P HA 0.318 nan 4.420 nan 0.000 0.282 21 P C -0.262 177.016 177.300 -0.037 0.000 1.262 21 P CA 0.001 63.160 63.100 0.098 0.000 0.773 21 P CB 0.860 32.658 31.700 0.163 0.000 0.879 22 I N 3.344 123.884 120.570 -0.050 0.000 2.582 22 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 22 I C -0.320 175.759 176.117 -0.064 0.000 1.066 22 I CA -1.224 60.036 61.300 -0.067 0.000 1.053 22 I CB 2.420 40.388 38.000 -0.053 0.000 1.241 22 I HN 0.123 nan 8.210 nan 0.000 0.421 23 L N 5.952 127.128 121.223 -0.079 0.000 2.281 23 L HA 0.370 4.710 4.340 -0.000 0.000 0.285 23 L C -0.644 176.213 176.870 -0.022 0.000 1.074 23 L CA 0.198 55.003 54.840 -0.058 0.000 0.817 23 L CB 0.309 42.322 42.059 -0.078 0.000 1.168 23 L HN 0.395 nan 8.230 nan 0.000 0.434 24 D N 5.704 126.115 120.400 0.018 0.000 2.264 24 D HA 0.335 4.975 4.640 -0.000 0.000 0.250 24 D C -0.518 175.799 176.300 0.028 0.000 1.113 24 D CA 0.308 54.341 54.000 0.055 0.000 0.871 24 D CB 1.325 42.195 40.800 0.117 0.000 1.167 24 D HN 0.426 nan 8.370 nan 0.000 0.447 25 L N 2.490 123.740 121.223 0.045 0.000 2.295 25 L HA 0.354 4.693 4.340 -0.000 0.000 0.281 25 L C -0.595 176.284 176.870 0.016 0.000 1.018 25 L CA -0.862 54.000 54.840 0.036 0.000 0.841 25 L CB 1.405 43.511 42.059 0.078 0.000 1.218 25 L HN -0.024 nan 8.230 nan 0.000 0.424 26 V N 2.774 122.676 119.914 -0.020 0.000 2.398 26 V HA 0.849 4.968 4.120 -0.000 0.000 0.286 26 V C 0.170 176.229 176.094 -0.057 0.000 1.026 26 V CA -0.350 61.920 62.300 -0.051 0.000 0.868 26 V CB 1.393 33.161 31.823 -0.091 0.000 0.982 26 V HN 0.834 nan 8.190 nan 0.000 0.443 27 A N 3.777 126.546 122.820 -0.085 0.000 2.574 27 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 27 A C -0.729 176.765 177.584 -0.150 0.000 1.062 27 A CA -0.768 51.212 52.037 -0.096 0.000 0.686 27 A CB 1.235 20.184 19.000 -0.084 0.000 1.285 27 A HN 0.741 nan 8.150 nan 0.000 0.403 28 E N 0.691 120.820 120.200 -0.118 0.000 2.257 28 E HA 0.391 4.741 4.350 -0.000 0.000 0.278 28 E C -0.135 176.305 176.600 -0.267 0.000 1.049 28 E CA -0.141 56.175 56.400 -0.140 0.000 0.876 28 E CB 1.149 30.808 29.700 -0.069 0.000 1.035 28 E HN 0.744 nan 8.360 nan 0.000 0.419 29 V N 0.998 120.683 119.914 -0.381 0.000 2.914 29 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 29 V C -2.584 173.301 176.094 -0.349 0.000 1.084 29 V CA -2.577 59.318 62.300 -0.675 0.000 0.963 29 V CB 1.849 32.996 31.823 -1.126 0.000 1.025 29 V HN 0.483 nan 8.190 nan 0.000 0.432 30 P HA 0.308 nan 4.420 nan 0.000 0.276 30 P C 0.629 177.913 177.300 -0.027 0.000 1.244 30 P CA -0.097 62.956 63.100 -0.078 0.000 0.801 30 P CB 1.571 33.279 31.700 0.013 0.000 1.006 31 S N 0.758 116.455 115.700 -0.004 0.000 2.383 31 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 31 S C 1.989 176.600 174.600 0.017 0.000 1.030 31 S CA 1.934 60.139 58.200 0.008 0.000 1.002 31 S CB -0.899 62.302 63.200 0.002 0.000 0.829 31 S HN 0.751 nan 8.310 nan 0.000 0.467 32 S N 0.966 116.677 115.700 0.018 0.000 2.419 32 S HA -0.157 4.312 4.470 -0.000 0.000 0.235 32 S C 1.589 176.184 174.600 -0.009 0.000 1.019 32 S CA 0.977 59.173 58.200 -0.008 0.000 0.982 32 S CB -0.778 62.427 63.200 0.009 0.000 0.789 32 S HN 0.520 nan 8.310 nan 0.000 0.490 33 F N 2.440 122.339 119.950 -0.085 0.000 2.102 33 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 33 F C 2.043 177.852 175.800 0.014 0.000 1.105 33 F CA 1.444 59.419 58.000 -0.042 0.000 1.239 33 F CB -0.291 38.595 39.000 -0.189 0.000 0.991 33 F HN 0.134 nan 8.300 nan 0.000 0.474 34 L N -0.178 121.152 121.223 0.179 0.000 2.012 34 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 34 L C 2.123 178.947 176.870 -0.076 0.000 1.073 34 L CA 1.508 56.396 54.840 0.081 0.000 0.748 34 L CB -1.008 41.095 42.059 0.072 0.000 0.891 34 L HN 0.112 nan 8.230 nan 0.000 0.431 35 D N 0.227 120.551 120.400 -0.128 0.000 2.097 35 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 35 D C 2.126 178.093 176.300 -0.554 0.000 0.989 35 D CA 1.137 54.999 54.000 -0.231 0.000 0.827 35 D CB -0.161 40.550 40.800 -0.147 0.000 0.966 35 D HN 0.380 nan 8.370 nan 0.000 0.456 36 E N -0.730 119.132 120.200 -0.564 0.000 2.160 36 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 36 E C 1.102 176.970 176.600 -1.220 0.000 0.991 36 E CA 0.676 56.568 56.400 -0.848 0.000 0.810 36 E CB -0.084 29.182 29.700 -0.724 0.000 0.742 36 E HN 0.296 nan 8.360 nan 0.000 0.466 37 F N -0.903 118.617 119.950 -0.716 0.000 2.664 37 F HA 0.195 4.722 4.527 -0.000 0.000 0.303 37 F C -0.334 175.305 175.800 -0.269 0.000 1.092 37 F CA -0.406 57.296 58.000 -0.497 0.000 1.305 37 F CB 0.203 38.946 39.000 -0.429 0.000 1.054 37 F HN -0.160 nan 8.300 nan 0.000 0.565 38 F N -0.240 119.710 119.950 -0.000 0.000 3.067 38 F HA -0.269 4.258 4.527 -0.000 0.000 0.279 38 F C -0.005 175.813 175.800 0.030 0.000 0.945 38 F CA -0.274 57.728 58.000 0.004 0.000 0.948 38 F CB -2.317 36.679 39.000 -0.007 0.000 0.898 38 F HN -0.152 nan 8.300 nan 0.000 0.746 39 L N 0.378 121.664 121.223 0.105 0.000 2.350 39 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 39 L C 0.587 177.503 176.870 0.077 0.000 1.099 39 L CA -0.818 54.079 54.840 0.095 0.000 0.808 39 L CB 1.232 43.340 42.059 0.083 0.000 1.149 39 L HN 0.026 nan 8.230 nan 0.000 0.442 40 K N 3.958 124.400 120.400 0.071 0.000 2.234 40 K HA 0.215 4.535 4.320 -0.000 0.000 0.277 40 K C -0.208 176.421 176.600 0.049 0.000 1.038 40 K CA -0.325 55.996 56.287 0.057 0.000 0.888 40 K CB 0.771 33.303 32.500 0.054 0.000 1.091 40 K HN 0.373 nan 8.250 nan 0.000 0.467 41 R N 2.988 123.513 120.500 0.042 0.000 2.502 41 R HA 0.108 4.448 4.340 -0.000 0.000 0.292 41 R C 0.456 176.778 176.300 0.037 0.000 0.998 41 R CA 1.836 57.958 56.100 0.036 0.000 1.056 41 R CB -0.275 30.042 30.300 0.028 0.000 0.939 41 R HN 1.026 nan 8.270 nan 0.000 0.411 42 G N 3.117 111.941 108.800 0.039 0.000 2.213 42 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.236 42 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.236 42 G C -0.277 174.652 174.900 0.047 0.000 0.991 42 G CA 0.176 45.301 45.100 0.042 0.000 0.629 42 G HN 0.632 nan 8.290 nan 0.000 0.517 43 D N 0.701 121.129 120.400 0.048 0.000 2.348 43 D HA 0.677 5.317 4.640 -0.000 0.000 0.249 43 D C 0.421 176.752 176.300 0.052 0.000 1.110 43 D CA 0.784 54.814 54.000 0.050 0.000 0.967 43 D CB 1.454 42.282 40.800 0.047 0.000 1.139 43 D HN 0.823 nan 8.370 nan 0.000 0.466 44 A N 0.716 123.569 122.820 0.054 0.000 2.310 44 A HA 0.612 4.932 4.320 -0.000 0.000 0.304 44 A C -0.082 177.528 177.584 0.042 0.000 1.231 44 A CA -0.569 51.501 52.037 0.055 0.000 0.799 44 A CB 0.527 19.566 19.000 0.065 0.000 1.162 44 A HN 0.507 nan 8.150 nan 0.000 0.486 45 T N -0.168 114.404 114.554 0.030 0.000 2.864 45 T HA 0.750 5.100 4.350 -0.000 0.000 0.289 45 T C -0.392 174.310 174.700 0.003 0.000 1.082 45 T CA -0.809 61.293 62.100 0.004 0.000 1.009 45 T CB 0.845 69.719 68.868 0.011 0.000 1.234 45 T HN 0.383 nan 8.240 nan 0.000 0.526 46 L N 1.497 122.704 121.223 -0.028 0.000 2.312 46 L HA 0.620 4.960 4.340 -0.000 0.000 0.281 46 L C 1.026 177.926 176.870 0.050 0.000 1.070 46 L CA -1.207 53.633 54.840 -0.000 0.000 0.805 46 L CB 0.937 42.963 42.059 -0.055 0.000 1.174 46 L HN 1.018 nan 8.230 nan 0.000 0.434 47 A N 2.177 125.073 122.820 0.126 0.000 2.567 47 A HA 0.282 4.602 4.320 -0.000 0.000 0.240 47 A C 0.625 178.279 177.584 0.117 0.000 1.053 47 A CA 0.048 52.171 52.037 0.143 0.000 0.755 47 A CB -0.301 18.857 19.000 0.263 0.000 0.978 47 A HN 0.770 nan 8.150 nan 0.000 0.507 48 T N 0.961 115.566 114.554 0.085 0.000 2.902 48 T HA 0.498 4.848 4.350 -0.000 0.000 0.280 48 T C -1.867 172.882 174.700 0.081 0.000 0.992 48 T CA -1.500 60.643 62.100 0.072 0.000 1.015 48 T CB 0.888 69.791 68.868 0.060 0.000 1.044 48 T HN 0.304 nan 8.240 nan 0.000 0.520 49 P HA -0.169 nan 4.420 nan 0.000 0.216 49 P C 1.625 178.967 177.300 0.071 0.000 1.153 49 P CA 1.145 64.282 63.100 0.061 0.000 0.858 49 P CB -0.010 31.714 31.700 0.040 0.000 0.789 50 E N 0.247 120.495 120.200 0.081 0.000 2.409 50 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 50 E C 1.000 177.715 176.600 0.193 0.000 1.024 50 E CA 1.076 57.549 56.400 0.121 0.000 0.861 50 E CB -0.587 29.186 29.700 0.122 0.000 0.788 50 E HN 0.396 nan 8.360 nan 0.000 0.521 51 Q N 0.226 120.123 119.800 0.162 0.000 2.204 51 Q HA 0.214 4.554 4.340 -0.000 0.000 0.209 51 Q C 1.774 177.778 176.000 0.008 0.000 0.861 51 Q CA -0.145 55.737 55.803 0.132 0.000 0.971 51 Q CB 0.121 28.880 28.738 0.035 0.000 1.095 51 Q HN 0.309 nan 8.270 nan 0.000 0.486 52 M N 0.450 120.088 119.600 0.062 0.000 2.089 52 M HA -0.251 4.229 4.480 -0.000 0.000 0.257 52 M C 1.292 177.603 176.300 0.017 0.000 1.071 52 M CA 1.864 57.181 55.300 0.029 0.000 1.096 52 M CB 0.191 32.818 32.600 0.044 0.000 1.330 52 M HN 0.016 nan 8.290 nan 0.000 0.403 53 R N -0.093 120.443 120.500 0.060 0.000 2.388 53 R HA 0.215 4.555 4.340 -0.000 0.000 0.247 53 R C 1.825 178.103 176.300 -0.036 0.000 0.931 53 R CA -0.072 56.071 56.100 0.071 0.000 1.082 53 R CB -0.266 30.116 30.300 0.137 0.000 1.135 53 R HN 0.531 nan 8.270 nan 0.000 0.525 54 I N 0.133 120.467 120.570 -0.393 0.000 2.286 54 I HA -0.314 3.855 4.170 -0.000 0.000 0.248 54 I C 1.180 176.985 176.117 -0.520 0.000 1.115 54 I CA 1.578 62.314 61.300 -0.940 0.000 1.392 54 I CB 0.117 37.317 38.000 -1.335 0.000 1.065 54 I HN 0.190 nan 8.210 nan 0.000 0.418 55 Y N 0.441 120.690 120.300 -0.085 0.000 2.220 55 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 55 Y C 2.979 178.892 175.900 0.022 0.000 1.129 55 Y CA 1.348 59.434 58.100 -0.024 0.000 1.161 55 Y CB -0.729 37.706 38.460 -0.041 0.000 0.997 55 Y HN 0.258 nan 8.280 nan 0.000 0.522 56 S N -1.169 114.621 115.700 0.150 0.000 2.383 56 S HA -0.168 4.302 4.470 -0.000 0.000 0.227 56 S C 1.855 176.533 174.600 0.129 0.000 1.026 56 S CA 1.571 59.840 58.200 0.115 0.000 0.981 56 S CB -1.079 62.175 63.200 0.089 0.000 0.818 56 S HN 0.383 nan 8.310 nan 0.000 0.472 57 T N 2.636 117.290 114.554 0.166 0.000 2.867 57 T HA 0.088 4.438 4.350 -0.000 0.000 0.268 57 T C 1.559 176.492 174.700 0.388 0.000 1.057 57 T CA 1.043 63.314 62.100 0.284 0.000 1.136 57 T CB -0.519 68.613 68.868 0.439 0.000 0.874 57 T HN 0.227 nan 8.240 nan 0.000 0.466 58 L N 1.743 123.161 121.223 0.325 0.000 2.191 58 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 58 L C 1.752 178.739 176.870 0.196 0.000 1.103 58 L CA 1.559 56.565 54.840 0.277 0.000 0.769 58 L CB -0.685 41.445 42.059 0.118 0.000 0.908 58 L HN 0.123 nan 8.230 nan 0.000 0.438 59 D N -0.501 119.970 120.400 0.119 0.000 2.265 59 D HA -0.215 4.425 4.640 -0.000 0.000 0.208 59 D C 1.960 178.236 176.300 -0.039 0.000 0.977 59 D CA 1.230 55.255 54.000 0.042 0.000 0.871 59 D CB 0.042 40.862 40.800 0.033 0.000 0.925 59 D HN 0.676 nan 8.370 nan 0.000 0.485 60 Q N -0.575 119.147 119.800 -0.129 0.000 2.436 60 Q HA -0.065 4.275 4.340 -0.000 0.000 0.209 60 Q C 0.759 176.390 176.000 -0.615 0.000 0.965 60 Q CA 0.605 56.183 55.803 -0.375 0.000 0.910 60 Q CB -0.262 28.188 28.738 -0.480 0.000 0.980 60 Q HN 0.250 nan 8.270 nan 0.000 0.491 61 F N 1.634 121.559 119.950 -0.042 0.000 2.668 61 F HA 0.292 4.819 4.527 -0.000 0.000 0.297 61 F C -0.408 175.347 175.800 -0.074 0.000 1.124 61 F CA -0.859 57.092 58.000 -0.082 0.000 1.353 61 F CB -0.426 38.469 39.000 -0.175 0.000 0.992 61 F HN 0.037 nan 8.300 nan 0.000 0.524 62 N N 1.395 120.107 118.700 0.020 0.000 2.666 62 N HA -0.166 4.574 4.740 -0.000 0.000 0.274 62 N C -2.589 172.932 175.510 0.017 0.000 1.043 62 N CA -0.418 52.635 53.050 0.006 0.000 0.782 62 N CB -0.752 37.730 38.487 -0.008 0.000 0.912 62 N HN 0.179 nan 8.380 nan 0.000 0.556 63 P HA 0.063 nan 4.420 nan 0.000 0.274 63 P C 0.016 177.313 177.300 -0.004 0.000 1.237 63 P CA -0.085 63.020 63.100 0.008 0.000 0.793 63 P CB 0.721 32.432 31.700 0.018 0.000 0.977 64 T N -1.592 112.951 114.554 -0.018 0.000 2.909 64 T HA 0.379 4.729 4.350 -0.000 0.000 0.286 64 T C 0.173 174.860 174.700 -0.021 0.000 1.002 64 T CA -0.652 61.434 62.100 -0.023 0.000 1.074 64 T CB 0.270 69.116 68.868 -0.036 0.000 0.984 64 T HN 0.228 nan 8.240 nan 0.000 0.495 65 S N 2.213 117.901 115.700 -0.020 0.000 2.429 65 S HA 0.645 5.115 4.470 -0.000 0.000 0.302 65 S C -0.522 174.065 174.600 -0.023 0.000 1.115 65 S CA -0.752 57.437 58.200 -0.019 0.000 1.095 65 S CB -0.091 63.098 63.200 -0.019 0.000 0.987 65 S HN 0.583 nan 8.310 nan 0.000 0.474 66 L N 4.307 125.518 121.223 -0.020 0.000 2.424 66 L HA 0.567 4.906 4.340 -0.000 0.000 0.258 66 L C -2.480 174.389 176.870 -0.002 0.000 0.995 66 L CA -2.582 52.249 54.840 -0.015 0.000 0.821 66 L CB 2.356 44.399 42.059 -0.026 0.000 1.383 66 L HN 0.352 nan 8.230 nan 0.000 0.410 67 P HA 0.199 nan 4.420 nan 0.000 0.271 67 P C -0.590 176.731 177.300 0.035 0.000 1.216 67 P CA 0.143 63.239 63.100 -0.005 0.000 0.771 67 P CB 1.352 33.045 31.700 -0.011 0.000 0.864 68 G N 0.317 109.132 108.800 0.025 0.000 3.166 68 G HA2 0.711 4.671 3.960 -0.000 0.000 0.267 68 G HA3 0.711 4.671 3.960 -0.000 0.000 0.267 68 G C -0.435 174.471 174.900 0.009 0.000 1.256 68 G CA -0.626 44.514 45.100 0.066 0.000 0.859 68 G HN 0.748 nan 8.290 nan 0.000 0.590 69 G N -1.472 107.331 108.800 0.006 0.000 3.039 69 G HA2 0.220 4.180 3.960 -0.000 0.000 0.686 69 G HA3 0.220 4.180 3.960 -0.000 0.000 0.686 69 G C 0.757 175.675 174.900 0.031 0.000 1.066 69 G CA 0.629 45.731 45.100 0.003 0.000 0.774 69 G HN 1.638 nan 8.290 nan 0.000 0.591 70 S N 1.428 117.169 115.700 0.069 0.000 2.348 70 S HA 0.016 4.486 4.470 -0.000 0.000 0.221 70 S C 2.914 177.608 174.600 0.158 0.000 1.033 70 S CA 2.504 60.776 58.200 0.119 0.000 1.010 70 S CB -0.352 63.017 63.200 0.282 0.000 0.891 70 S HN 2.153 nan 8.310 nan 0.000 0.442 71 A N 1.049 124.000 122.820 0.218 0.000 1.933 71 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 71 A C 2.141 179.883 177.584 0.264 0.000 1.175 71 A CA 1.538 53.771 52.037 0.326 0.000 0.628 71 A CB -0.803 18.355 19.000 0.264 0.000 0.814 71 A HN 0.555 nan 8.150 nan 0.000 0.444 72 L N 0.474 121.766 121.223 0.115 0.000 2.056 72 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 72 L C 1.814 178.635 176.870 -0.082 0.000 1.078 72 L CA 2.020 56.727 54.840 -0.222 0.000 0.749 72 L CB -0.853 40.965 42.059 -0.401 0.000 0.901 72 L HN 0.325 nan 8.230 nan 0.000 0.433 73 N N -0.785 117.910 118.700 -0.007 0.000 2.104 73 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 73 N C 1.891 177.399 175.510 -0.003 0.000 1.024 73 N CA 1.573 54.629 53.050 0.009 0.000 0.853 73 N CB -0.379 38.121 38.487 0.022 0.000 1.008 73 N HN 0.336 nan 8.380 nan 0.000 0.424 74 S N 0.319 116.028 115.700 0.015 0.000 2.368 74 S HA -0.068 4.402 4.470 -0.000 0.000 0.224 74 S C 2.206 176.781 174.600 -0.042 0.000 1.029 74 S CA 1.163 59.336 58.200 -0.045 0.000 0.988 74 S CB -0.257 62.886 63.200 -0.095 0.000 0.838 74 S HN 0.379 nan 8.310 nan 0.000 0.462 75 V N 0.549 120.475 119.914 0.020 0.000 2.809 75 V HA 0.058 4.178 4.120 -0.000 0.000 0.256 75 V C 1.950 178.043 176.094 -0.002 0.000 1.080 75 V CA 1.072 63.390 62.300 0.029 0.000 1.102 75 V CB -0.747 31.138 31.823 0.103 0.000 0.705 75 V HN 0.271 nan 8.190 nan 0.000 0.475 76 R N 0.241 120.725 120.500 -0.027 0.000 2.115 76 R HA -0.005 4.335 4.340 -0.000 0.000 0.230 76 R C 2.329 178.610 176.300 -0.031 0.000 1.111 76 R CA 1.413 57.497 56.100 -0.027 0.000 0.976 76 R CB -0.508 29.776 30.300 -0.027 0.000 0.870 76 R HN 0.521 nan 8.270 nan 0.000 0.445 77 V N 0.508 120.395 119.914 -0.046 0.000 2.295 77 V HA -0.225 3.894 4.120 -0.000 0.000 0.246 77 V C 2.371 178.419 176.094 -0.077 0.000 1.049 77 V CA 1.634 63.888 62.300 -0.076 0.000 1.024 77 V CB -0.318 31.447 31.823 -0.096 0.000 0.648 77 V HN 0.102 nan 8.190 nan 0.000 0.447 78 V N -0.091 119.800 119.914 -0.038 0.000 2.287 78 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 78 V C 2.491 178.586 176.094 0.002 0.000 1.053 78 V CA 2.455 64.763 62.300 0.013 0.000 1.027 78 V CB -0.777 31.076 31.823 0.050 0.000 0.646 78 V HN 0.604 nan 8.190 nan 0.000 0.447 79 Q N 0.870 120.672 119.800 0.002 0.000 2.084 79 Q HA -0.234 4.106 4.340 -0.000 0.000 0.202 79 Q C 2.208 178.193 176.000 -0.025 0.000 0.978 79 Q CA 2.262 58.069 55.803 0.006 0.000 0.844 79 Q CB -0.492 28.255 28.738 0.015 0.000 0.898 79 Q HN 0.637 nan 8.270 nan 0.000 0.426 80 K N -0.500 119.871 120.400 -0.048 0.000 2.057 80 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 80 K C 1.918 178.448 176.600 -0.118 0.000 1.049 80 K CA 1.434 57.682 56.287 -0.065 0.000 0.931 80 K CB -0.163 32.303 32.500 -0.057 0.000 0.714 80 K HN 0.340 nan 8.250 nan 0.000 0.440 81 L N 0.614 121.709 121.223 -0.214 0.000 2.131 81 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 81 L C 2.256 178.960 176.870 -0.277 0.000 1.087 81 L CA 0.635 55.211 54.840 -0.440 0.000 0.767 81 L CB -0.157 41.278 42.059 -1.040 0.000 0.917 81 L HN 0.197 nan 8.230 nan 0.000 0.441 82 L N -1.113 120.066 121.223 -0.073 0.000 2.341 82 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 82 L C 1.644 178.530 176.870 0.027 0.000 1.115 82 L CA 0.450 55.338 54.840 0.079 0.000 0.820 82 L CB -0.111 42.026 42.059 0.129 0.000 0.944 82 L HN 0.274 nan 8.230 nan 0.000 0.452 83 R N -1.356 119.139 120.500 -0.008 0.000 2.248 83 R HA -0.229 4.111 4.340 -0.000 0.000 0.154 83 R C 0.401 176.704 176.300 0.005 0.000 0.881 83 R CA 1.651 57.744 56.100 -0.011 0.000 1.877 83 R CB -1.506 28.783 30.300 -0.018 0.000 0.832 83 R HN 0.263 nan 8.270 nan 0.000 0.665 84 K N 3.042 123.450 120.400 0.013 0.000 2.448 84 K HA 0.141 4.461 4.320 -0.000 0.000 0.278 84 K C -2.386 174.223 176.600 0.015 0.000 1.009 84 K CA -1.271 55.024 56.287 0.013 0.000 0.995 84 K CB 0.290 32.798 32.500 0.014 0.000 0.917 84 K HN -0.040 nan 8.250 nan 0.000 0.481 85 P HA -0.093 nan 4.420 nan 0.000 0.264 85 P C 0.382 177.690 177.300 0.014 0.000 1.183 85 P CA 0.832 63.943 63.100 0.018 0.000 0.763 85 P CB 0.465 32.176 31.700 0.018 0.000 0.807 86 G N 2.300 111.113 108.800 0.021 0.000 2.176 86 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 86 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 86 G C 1.200 176.107 174.900 0.012 0.000 1.024 86 G CA 0.407 45.513 45.100 0.011 0.000 0.755 86 G HN 0.452 nan 8.290 nan 0.000 0.507 87 S N -0.653 115.064 115.700 0.028 0.000 2.428 87 S HA 0.421 4.891 4.470 -0.000 0.000 0.230 87 S C 1.372 176.006 174.600 0.056 0.000 1.014 87 S CA 1.381 59.604 58.200 0.037 0.000 0.957 87 S CB 0.137 63.365 63.200 0.047 0.000 0.784 87 S HN 1.726 nan 8.310 nan 0.000 0.499 88 A N 0.361 123.224 122.820 0.072 0.000 2.386 88 A HA 0.752 5.072 4.320 -0.000 0.000 0.311 88 A C -0.040 177.639 177.584 0.158 0.000 1.068 88 A CA -0.412 51.690 52.037 0.109 0.000 0.743 88 A CB 1.490 20.547 19.000 0.094 0.000 1.258 88 A HN 0.304 nan 8.150 nan 0.000 0.429 89 G N -0.628 108.326 108.800 0.258 0.000 2.481 89 G HA2 0.607 4.567 3.960 -0.000 0.000 0.315 89 G HA3 0.607 4.567 3.960 -0.000 0.000 0.315 89 G C -1.606 173.532 174.900 0.396 0.000 1.231 89 G CA -0.490 44.879 45.100 0.448 0.000 0.968 89 G HN 1.043 nan 8.290 nan 0.000 0.482 90 Y N 0.598 121.031 120.300 0.222 0.000 2.513 90 Y HA 0.688 5.238 4.550 -0.000 0.000 0.340 90 Y C -0.880 174.882 175.900 -0.230 0.000 1.055 90 Y CA -1.109 56.902 58.100 -0.148 0.000 1.020 90 Y CB 2.011 40.391 38.460 -0.133 0.000 1.301 90 Y HN 0.509 nan 8.280 nan 0.000 0.453 91 M N 4.679 123.815 119.600 -0.773 0.000 2.530 91 M HA 0.790 5.270 4.480 -0.000 0.000 0.307 91 M C -0.383 175.182 176.300 -1.226 0.000 1.161 91 M CA -0.726 54.168 55.300 -0.677 0.000 0.903 91 M CB 2.546 35.034 32.600 -0.187 0.000 1.711 91 M HN 0.898 nan 8.290 nan 0.000 0.451 92 G N 0.808 109.033 108.800 -0.959 0.000 2.489 92 G HA2 0.759 4.719 3.960 -0.000 0.000 0.305 92 G HA3 0.759 4.719 3.960 -0.000 0.000 0.305 92 G C -2.383 172.290 174.900 -0.380 0.000 1.311 92 G CA -0.532 43.857 45.100 -1.185 0.000 0.813 92 G HN 0.858 nan 8.290 nan 0.000 0.480 93 A N -0.387 122.344 122.820 -0.148 0.000 2.337 93 A HA 0.878 5.198 4.320 -0.000 0.000 0.329 93 A C -0.074 177.538 177.584 0.047 0.000 1.146 93 A CA -0.580 51.513 52.037 0.094 0.000 0.800 93 A CB 0.715 19.827 19.000 0.187 0.000 1.220 93 A HN 1.652 nan 8.150 nan 0.000 0.472 94 I N -0.768 119.824 120.570 0.036 0.000 3.108 94 I HA 0.928 5.098 4.170 -0.000 0.000 0.312 94 I C 0.409 176.516 176.117 -0.017 0.000 1.095 94 I CA -1.178 60.091 61.300 -0.052 0.000 1.000 94 I CB 1.936 39.828 38.000 -0.180 0.000 1.229 94 I HN 0.631 nan 8.210 nan 0.000 0.454 95 G N 0.760 109.537 108.800 -0.039 0.000 2.547 95 G HA2 0.315 4.275 3.960 -0.000 0.000 0.291 95 G HA3 0.315 4.275 3.960 -0.000 0.000 0.291 95 G C -0.438 174.455 174.900 -0.013 0.000 1.211 95 G CA -0.276 44.815 45.100 -0.015 0.000 0.950 95 G HN 0.859 nan 8.290 nan 0.000 0.504 96 D N -0.455 119.945 120.400 0.000 0.000 2.870 96 D HA 0.108 4.748 4.640 -0.000 0.000 0.241 96 D C -0.260 176.038 176.300 -0.004 0.000 1.234 96 D CA -0.520 53.483 54.000 0.004 0.000 0.844 96 D CB -0.034 40.774 40.800 0.013 0.000 1.051 96 D HN 0.309 nan 8.370 nan 0.000 0.469 97 D N -1.826 118.564 120.400 -0.016 0.000 2.414 97 D HA 0.308 4.948 4.640 -0.000 0.000 0.241 97 D C -1.940 174.344 176.300 -0.027 0.000 1.008 97 D CA -2.188 51.800 54.000 -0.019 0.000 1.001 97 D CB 0.871 41.658 40.800 -0.023 0.000 1.277 97 D HN -0.254 nan 8.370 nan 0.000 0.538 98 P HA -0.133 nan 4.420 nan 0.000 0.216 98 P C 1.442 178.718 177.300 -0.041 0.000 1.153 98 P CA 1.426 64.511 63.100 -0.025 0.000 0.858 98 P CB 0.181 31.870 31.700 -0.018 0.000 0.789 99 R N -0.204 120.265 120.500 -0.051 0.000 2.105 99 R HA -0.103 4.237 4.340 -0.000 0.000 0.239 99 R C 2.315 178.554 176.300 -0.101 0.000 1.135 99 R CA 1.920 57.977 56.100 -0.071 0.000 0.967 99 R CB -1.187 29.066 30.300 -0.079 0.000 0.861 99 R HN 0.177 nan 8.270 nan 0.000 0.442 100 G N 0.202 108.939 108.800 -0.106 0.000 2.422 100 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 100 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 100 G C 1.239 176.048 174.900 -0.152 0.000 1.146 100 G CA 0.262 45.267 45.100 -0.159 0.000 0.769 100 G HN 0.297 nan 8.290 nan 0.000 0.547 101 Q N 0.223 119.975 119.800 -0.081 0.000 2.119 101 Q HA 0.007 4.347 4.340 -0.000 0.000 0.201 101 Q C 2.948 178.917 176.000 -0.051 0.000 0.972 101 Q CA 0.667 56.441 55.803 -0.050 0.000 0.847 101 Q CB -0.779 27.947 28.738 -0.021 0.000 0.903 101 Q HN 0.399 nan 8.270 nan 0.000 0.433 102 V N 1.305 121.184 119.914 -0.058 0.000 2.287 102 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 102 V C 2.323 178.376 176.094 -0.067 0.000 1.053 102 V CA 1.605 63.874 62.300 -0.050 0.000 1.027 102 V CB -0.621 31.174 31.823 -0.047 0.000 0.646 102 V HN 0.230 nan 8.190 nan 0.000 0.447 103 L N 0.255 121.405 121.223 -0.123 0.000 2.056 103 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 103 L C 2.430 179.211 176.870 -0.147 0.000 1.078 103 L CA 2.193 56.935 54.840 -0.164 0.000 0.749 103 L CB -0.812 41.080 42.059 -0.280 0.000 0.901 103 L HN 0.283 nan 8.230 nan 0.000 0.433 104 K N -0.419 119.876 120.400 -0.174 0.000 2.032 104 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 104 K C 1.923 178.586 176.600 0.105 0.000 1.048 104 K CA 1.990 58.300 56.287 0.039 0.000 0.927 104 K CB -0.161 32.387 32.500 0.080 0.000 0.712 104 K HN 0.485 nan 8.250 nan 0.000 0.441 105 E N 0.573 120.798 120.200 0.041 0.000 2.106 105 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 105 E C 2.132 178.757 176.600 0.042 0.000 0.984 105 E CA 0.953 57.380 56.400 0.046 0.000 0.806 105 E CB -0.047 29.668 29.700 0.024 0.000 0.750 105 E HN 0.325 nan 8.360 nan 0.000 0.458 106 L N 0.319 121.556 121.223 0.023 0.000 2.083 106 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 106 L C 2.488 179.383 176.870 0.041 0.000 1.083 106 L CA 0.818 55.671 54.840 0.020 0.000 0.752 106 L CB -0.299 41.760 42.059 -0.001 0.000 0.899 106 L HN 0.317 nan 8.230 nan 0.000 0.433 107 C N -0.634 118.710 119.300 0.074 0.000 2.475 107 C HA -0.098 4.362 4.460 -0.000 0.000 0.279 107 C C 2.369 177.414 174.990 0.092 0.000 1.322 107 C CA 0.147 59.222 59.018 0.095 0.000 1.734 107 C CB -0.664 27.191 27.740 0.191 0.000 2.005 107 C HN 0.523 nan 8.230 nan 0.000 0.495 108 D N 1.399 121.864 120.400 0.108 0.000 2.144 108 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 108 D C 2.213 178.550 176.300 0.063 0.000 0.984 108 D CA 1.161 55.215 54.000 0.090 0.000 0.834 108 D CB -0.419 40.437 40.800 0.094 0.000 0.955 108 D HN 0.678 nan 8.370 nan 0.000 0.465 109 K N 0.820 121.252 120.400 0.053 0.000 2.283 109 K HA -0.061 4.259 4.320 -0.000 0.000 0.202 109 K C 1.339 177.964 176.600 0.041 0.000 1.048 109 K CA 0.962 57.274 56.287 0.042 0.000 0.948 109 K CB -0.097 32.423 32.500 0.035 0.000 0.742 109 K HN 0.096 nan 8.250 nan 0.000 0.458 110 E N 0.335 120.560 120.200 0.042 0.000 2.478 110 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 110 E C 0.596 177.216 176.600 0.034 0.000 1.045 110 E CA 0.306 56.727 56.400 0.036 0.000 0.868 110 E CB 0.266 29.983 29.700 0.029 0.000 0.885 110 E HN 0.648 nan 8.360 nan 0.000 0.505 111 G N 1.744 110.568 108.800 0.041 0.000 2.159 111 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 111 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 111 G C 0.064 174.991 174.900 0.045 0.000 0.977 111 G CA 0.159 45.283 45.100 0.040 0.000 0.652 111 G HN 0.219 nan 8.290 nan 0.000 0.531 112 L N 1.413 122.666 121.223 0.050 0.000 2.456 112 L HA 0.675 5.015 4.340 -0.000 0.000 0.272 112 L C 0.888 177.809 176.870 0.085 0.000 1.189 112 L CA 0.406 55.282 54.840 0.060 0.000 0.846 112 L CB 0.750 42.834 42.059 0.042 0.000 1.111 112 L HN 0.807 nan 8.230 nan 0.000 0.475 113 A N 3.479 126.368 122.820 0.115 0.000 2.302 113 A HA 0.596 4.916 4.320 -0.000 0.000 0.295 113 A C -0.015 177.759 177.584 0.316 0.000 1.235 113 A CA 0.153 52.295 52.037 0.174 0.000 0.876 113 A CB -0.385 18.660 19.000 0.076 0.000 1.133 113 A HN 0.807 nan 8.150 nan 0.000 0.533 114 T N 0.324 115.012 114.554 0.224 0.000 2.907 114 T HA 0.722 5.072 4.350 -0.000 0.000 0.292 114 T C -0.544 174.077 174.700 -0.131 0.000 1.043 114 T CA -0.852 61.214 62.100 -0.056 0.000 1.003 114 T CB 1.643 70.176 68.868 -0.558 0.000 1.084 114 T HN 0.668 nan 8.240 nan 0.000 0.483 115 R N 1.833 122.070 120.500 -0.437 0.000 2.473 115 R HA 0.496 4.836 4.340 -0.000 0.000 0.303 115 R C -1.686 174.408 176.300 -0.344 0.000 1.002 115 R CA -0.768 55.118 56.100 -0.357 0.000 0.884 115 R CB 0.795 30.821 30.300 -0.457 0.000 1.173 115 R HN 0.698 nan 8.270 nan 0.000 0.464 116 F N 4.742 124.701 119.950 0.014 0.000 2.404 116 F HA 0.381 4.908 4.527 -0.000 0.000 0.354 116 F C 0.503 176.321 175.800 0.030 0.000 1.122 116 F CA -1.038 56.968 58.000 0.011 0.000 1.080 116 F CB 1.405 40.422 39.000 0.028 0.000 1.131 116 F HN 0.139 nan 8.300 nan 0.000 0.471 117 M N 4.176 123.915 119.600 0.232 0.000 2.185 117 M HA 0.235 4.715 4.480 -0.000 0.000 0.357 117 M C -0.433 175.961 176.300 0.156 0.000 1.260 117 M CA -0.457 54.956 55.300 0.189 0.000 1.124 117 M CB 0.762 33.514 32.600 0.253 0.000 1.600 117 M HN 0.164 nan 8.290 nan 0.000 0.467 118 V N 3.118 123.100 119.914 0.114 0.000 2.439 118 V HA 0.571 4.691 4.120 -0.000 0.000 0.282 118 V C 0.356 176.488 176.094 0.064 0.000 1.039 118 V CA -0.896 61.452 62.300 0.079 0.000 0.913 118 V CB 1.334 33.195 31.823 0.064 0.000 0.983 118 V HN 0.931 nan 8.190 nan 0.000 0.460 119 A N 7.437 130.287 122.820 0.051 0.000 2.322 119 A HA 0.728 5.048 4.320 -0.000 0.000 0.327 119 A C -2.555 175.046 177.584 0.030 0.000 1.394 119 A CA -1.700 50.361 52.037 0.041 0.000 0.921 119 A CB 0.265 19.290 19.000 0.042 0.000 1.153 119 A HN 0.648 nan 8.150 nan 0.000 0.523 120 P HA 0.224 nan 4.420 nan 0.000 0.264 120 P C 1.212 178.525 177.300 0.021 0.000 1.183 120 P CA 1.917 65.030 63.100 0.022 0.000 0.763 120 P CB 0.754 32.467 31.700 0.021 0.000 0.807 121 G N 1.286 110.097 108.800 0.018 0.000 2.184 121 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 121 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 121 G C 0.054 174.968 174.900 0.023 0.000 0.975 121 G CA -0.068 45.044 45.100 0.019 0.000 0.642 121 G HN 0.588 nan 8.290 nan 0.000 0.536 122 Q N -0.044 119.769 119.800 0.023 0.000 2.241 122 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 122 Q C -0.456 175.557 176.000 0.021 0.000 1.014 122 Q CA -0.516 55.304 55.803 0.029 0.000 0.885 122 Q CB 1.787 30.540 28.738 0.025 0.000 1.311 122 Q HN 0.204 nan 8.270 nan 0.000 0.461 123 S N 0.561 116.282 115.700 0.034 0.000 2.525 123 S HA 0.307 4.777 4.470 -0.000 0.000 0.290 123 S C -0.386 174.209 174.600 -0.008 0.000 1.152 123 S CA -0.637 57.572 58.200 0.015 0.000 1.072 123 S CB 1.402 64.619 63.200 0.029 0.000 1.027 123 S HN 0.441 nan 8.310 nan 0.000 0.500 124 T N 2.757 117.284 114.554 -0.045 0.000 2.940 124 T HA 0.264 4.613 4.350 -0.000 0.000 0.309 124 T C 1.061 175.710 174.700 -0.085 0.000 1.056 124 T CA -0.092 61.961 62.100 -0.078 0.000 1.137 124 T CB 0.242 69.042 68.868 -0.113 0.000 0.976 124 T HN 0.747 nan 8.240 nan 0.000 0.547 125 G N 1.057 109.802 108.800 -0.092 0.000 2.368 125 G HA2 0.365 4.325 3.960 -0.000 0.000 0.233 125 G HA3 0.365 4.325 3.960 -0.000 0.000 0.233 125 G C -0.579 174.243 174.900 -0.130 0.000 1.267 125 G CA -0.273 44.765 45.100 -0.102 0.000 0.873 125 G HN 0.699 nan 8.290 nan 0.000 0.539 126 V N 2.676 122.489 119.914 -0.168 0.000 2.888 126 V HA 0.611 4.731 4.120 -0.000 0.000 0.309 126 V C -0.841 175.168 176.094 -0.142 0.000 1.114 126 V CA -0.907 61.252 62.300 -0.234 0.000 0.940 126 V CB 1.839 33.370 31.823 -0.486 0.000 1.021 126 V HN 1.125 nan 8.190 nan 0.000 0.426 127 C N 6.709 126.002 119.300 -0.011 0.000 2.381 127 C HA 0.872 5.332 4.460 -0.000 0.000 0.328 127 C C 0.486 175.589 174.990 0.189 0.000 1.190 127 C CA -0.073 59.012 59.018 0.113 0.000 1.369 127 C CB 0.199 27.985 27.740 0.077 0.000 2.029 127 C HN 1.389 nan 8.230 nan 0.000 0.448 128 A N 5.398 128.402 122.820 0.307 0.000 2.354 128 A HA 0.567 4.887 4.320 -0.000 0.000 0.281 128 A C -0.234 177.410 177.584 0.100 0.000 1.174 128 A CA -0.127 52.021 52.037 0.184 0.000 0.828 128 A CB 0.262 19.317 19.000 0.092 0.000 1.099 128 A HN 1.057 nan 8.150 nan 0.000 0.516 129 V N 5.338 125.293 119.914 0.068 0.000 2.277 129 V HA 0.224 4.344 4.120 -0.000 0.000 0.269 129 V C -0.175 175.909 176.094 -0.018 0.000 1.036 129 V CA -0.023 62.311 62.300 0.057 0.000 0.821 129 V CB 0.258 32.127 31.823 0.076 0.000 1.052 129 V HN 0.707 nan 8.190 nan 0.000 0.462 130 L N 6.303 127.508 121.223 -0.030 0.000 2.262 130 L HA 0.567 4.907 4.340 -0.000 0.000 0.288 130 L C -0.277 176.547 176.870 -0.077 0.000 1.035 130 L CA -0.245 54.534 54.840 -0.101 0.000 0.820 130 L CB 1.160 43.166 42.059 -0.089 0.000 1.204 130 L HN 0.451 nan 8.230 nan 0.000 0.424 131 I N 4.252 124.759 120.570 -0.106 0.000 2.331 131 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 131 I C 0.058 176.124 176.117 -0.086 0.000 0.998 131 I CA -0.061 61.194 61.300 -0.074 0.000 1.267 131 I CB 0.997 38.956 38.000 -0.068 0.000 1.386 131 I HN 0.669 nan 8.210 nan 0.000 0.476 132 N N 5.583 124.252 118.700 -0.052 0.000 2.666 132 N HA 0.036 4.776 4.740 -0.000 0.000 0.260 132 N C -0.812 174.686 175.510 -0.020 0.000 1.077 132 N CA -0.373 52.650 53.050 -0.045 0.000 1.026 132 N CB 1.563 40.022 38.487 -0.046 0.000 1.653 132 N HN 0.692 nan 8.380 nan 0.000 0.533 133 E N 2.156 122.346 120.200 -0.017 0.000 2.269 133 E HA -0.230 4.120 4.350 -0.000 0.000 0.223 133 E C -0.769 175.829 176.600 -0.003 0.000 1.244 133 E CA 1.062 57.458 56.400 -0.007 0.000 0.713 133 E CB -0.974 28.725 29.700 -0.002 0.000 1.178 133 E HN 0.695 nan 8.360 nan 0.000 0.370 134 K N -1.012 119.384 120.400 -0.006 0.000 3.096 134 K HA -0.247 4.072 4.320 -0.000 0.000 0.266 134 K C -0.441 176.162 176.600 0.005 0.000 1.043 134 K CA 1.375 57.661 56.287 -0.002 0.000 0.758 134 K CB -0.842 31.659 32.500 0.001 0.000 1.260 134 K HN 0.420 nan 8.250 nan 0.000 0.481 135 E N -0.135 120.068 120.200 0.004 0.000 2.408 135 E HA 0.446 4.796 4.350 -0.000 0.000 0.275 135 E C -0.931 175.677 176.600 0.013 0.000 0.935 135 E CA -1.250 55.159 56.400 0.015 0.000 0.775 135 E CB 1.716 31.427 29.700 0.019 0.000 1.277 135 E HN -0.021 nan 8.360 nan 0.000 0.455 136 R N 0.235 120.754 120.500 0.032 0.000 2.460 136 R HA 0.508 4.847 4.340 -0.000 0.000 0.303 136 R C -0.929 175.400 176.300 0.048 0.000 0.968 136 R CA -0.238 55.888 56.100 0.042 0.000 0.889 136 R CB 1.746 32.096 30.300 0.083 0.000 1.123 136 R HN 0.279 nan 8.270 nan 0.000 0.455 137 T N 3.561 118.140 114.554 0.042 0.000 2.840 137 T HA 0.489 4.838 4.350 -0.000 0.000 0.287 137 T C -1.038 173.694 174.700 0.055 0.000 0.991 137 T CA -0.580 61.548 62.100 0.047 0.000 0.964 137 T CB 0.924 69.817 68.868 0.042 0.000 0.954 137 T HN 0.036 nan 8.240 nan 0.000 0.438 138 L N 2.427 123.688 121.223 0.064 0.000 2.329 138 L HA 0.699 5.039 4.340 -0.000 0.000 0.279 138 L C -0.393 176.516 176.870 0.066 0.000 1.014 138 L CA -0.510 54.374 54.840 0.074 0.000 0.814 138 L CB 1.769 43.876 42.059 0.079 0.000 1.257 138 L HN 0.821 nan 8.230 nan 0.000 0.424 139 C N 2.130 121.480 119.300 0.084 0.000 2.522 139 C HA 0.734 5.194 4.460 -0.000 0.000 0.344 139 C C -0.314 174.794 174.990 0.196 0.000 1.104 139 C CA -0.214 58.859 59.018 0.091 0.000 1.317 139 C CB 0.419 28.168 27.740 0.014 0.000 1.896 139 C HN 0.895 nan 8.230 nan 0.000 0.443 140 T N 3.835 118.482 114.554 0.155 0.000 2.823 140 T HA 0.426 4.776 4.350 -0.000 0.000 0.279 140 T C -1.142 173.666 174.700 0.179 0.000 0.998 140 T CA -0.050 62.133 62.100 0.139 0.000 0.994 140 T CB 0.983 69.859 68.868 0.014 0.000 0.960 140 T HN 0.743 nan 8.240 nan 0.000 0.448 141 H N 2.661 121.740 119.070 0.016 0.000 2.762 141 H HA 0.444 5.000 4.556 -0.000 0.000 0.310 141 H C 0.556 175.838 175.328 -0.077 0.000 1.004 141 H CA -0.642 55.396 56.048 -0.016 0.000 1.267 141 H CB 0.323 30.073 29.762 -0.019 0.000 1.437 141 H HN 0.492 nan 8.280 nan 0.000 0.498 142 L N 4.009 125.021 121.223 -0.353 0.000 2.093 142 L HA 0.057 4.397 4.340 -0.000 0.000 0.208 142 L C 2.058 178.782 176.870 -0.243 0.000 1.085 142 L CA 0.945 55.641 54.840 -0.239 0.000 0.755 142 L CB -0.702 41.255 42.059 -0.171 0.000 0.904 142 L HN 1.002 nan 8.230 nan 0.000 0.435 143 G N 0.399 108.950 108.800 -0.415 0.000 2.685 143 G HA2 -0.492 3.468 3.960 -0.000 0.000 0.329 143 G HA3 -0.492 3.468 3.960 -0.000 0.000 0.329 143 G C 1.087 175.938 174.900 -0.080 0.000 1.271 143 G CA 0.926 45.917 45.100 -0.181 0.000 1.003 143 G HN 0.454 nan 8.290 nan 0.000 0.549 144 A N -1.237 121.563 122.820 -0.033 0.000 2.076 144 A HA 0.027 4.347 4.320 -0.000 0.000 0.220 144 A C 2.639 180.227 177.584 0.007 0.000 1.160 144 A CA 2.565 54.599 52.037 -0.004 0.000 0.653 144 A CB -0.926 18.074 19.000 -0.001 0.000 0.801 144 A HN 1.292 nan 8.150 nan 0.000 0.455 145 C N -1.097 118.191 119.300 -0.019 0.000 2.403 145 C HA -0.080 4.380 4.460 -0.000 0.000 0.279 145 C C 2.815 177.830 174.990 0.042 0.000 1.269 145 C CA 0.698 59.717 59.018 0.000 0.000 1.774 145 C CB -1.622 26.098 27.740 -0.033 0.000 1.993 145 C HN 0.717 nan 8.230 nan 0.000 0.496 146 G N 0.402 109.211 108.800 0.015 0.000 2.598 146 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 146 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 146 G C 1.618 176.546 174.900 0.047 0.000 1.131 146 G CA 1.093 46.210 45.100 0.028 0.000 0.785 146 G HN 0.675 nan 8.290 nan 0.000 0.539 147 S N -0.408 115.329 115.700 0.061 0.000 2.562 147 S HA 0.206 4.676 4.470 -0.000 0.000 0.221 147 S C 0.716 175.373 174.600 0.096 0.000 0.975 147 S CA -0.660 57.575 58.200 0.059 0.000 0.918 147 S CB -0.253 62.981 63.200 0.056 0.000 0.772 147 S HN 0.118 nan 8.310 nan 0.000 0.531 148 F N 4.390 124.321 119.950 -0.032 0.000 2.578 148 F HA 0.414 4.941 4.527 -0.000 0.000 0.376 148 F C 0.331 176.097 175.800 -0.058 0.000 1.085 148 F CA -0.769 57.206 58.000 -0.042 0.000 1.260 148 F CB 0.336 39.302 39.000 -0.057 0.000 1.095 148 F HN 0.004 nan 8.300 nan 0.000 0.573 149 R N 7.028 127.129 120.500 -0.666 0.000 2.483 149 R HA 0.283 4.623 4.340 -0.000 0.000 0.303 149 R C -1.432 174.338 176.300 -0.884 0.000 0.987 149 R CA -1.316 54.384 56.100 -0.666 0.000 0.881 149 R CB 1.436 31.559 30.300 -0.295 0.000 1.177 149 R HN 0.712 nan 8.270 nan 0.000 0.451 150 L N 5.690 126.345 121.223 -0.948 0.000 2.584 150 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 150 L C -1.878 174.840 176.870 -0.254 0.000 1.195 150 L CA -0.553 53.893 54.840 -0.655 0.000 0.920 150 L CB 0.025 41.748 42.059 -0.560 0.000 1.173 150 L HN 0.424 nan 8.230 nan 0.000 0.489 151 P HA 0.171 nan 4.420 nan 0.000 0.272 151 P C 0.404 177.787 177.300 0.139 0.000 1.223 151 P CA 0.292 63.409 63.100 0.029 0.000 0.784 151 P CB 0.450 32.187 31.700 0.061 0.000 0.923 152 E N 1.844 122.090 120.200 0.076 0.000 2.209 152 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 152 E C 0.985 177.597 176.600 0.021 0.000 0.993 152 E CA 1.782 58.221 56.400 0.066 0.000 0.819 152 E CB -1.041 28.666 29.700 0.013 0.000 0.745 152 E HN 0.720 nan 8.360 nan 0.000 0.477 153 D N -0.707 119.707 120.400 0.022 0.000 2.395 153 D HA -0.075 4.565 4.640 -0.000 0.000 0.226 153 D C 1.601 177.870 176.300 -0.051 0.000 1.146 153 D CA 0.097 54.067 54.000 -0.050 0.000 0.830 153 D CB -1.158 39.639 40.800 -0.005 0.000 0.958 153 D HN 0.818 nan 8.370 nan 0.000 0.501 154 W N 1.818 123.056 121.300 -0.102 0.000 2.374 154 W HA -0.189 4.471 4.660 -0.000 0.000 0.288 154 W C 0.970 177.361 176.519 -0.212 0.000 1.218 154 W CA 1.634 58.901 57.345 -0.129 0.000 1.245 154 W CB -1.492 27.892 29.460 -0.127 0.000 1.126 154 W HN 0.058 nan 8.180 nan 0.000 0.545 155 T N -1.240 112.516 114.554 -1.330 0.000 2.915 155 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 155 T C 1.583 175.972 174.700 -0.518 0.000 1.071 155 T CA 1.955 63.265 62.100 -1.317 0.000 1.132 155 T CB -0.899 67.046 68.868 -1.539 0.000 0.878 155 T HN 0.083 nan 8.240 nan 0.000 0.479 156 T N 1.326 115.686 114.554 -0.322 0.000 2.812 156 T HA 0.096 4.446 4.350 -0.000 0.000 0.264 156 T C 1.311 175.978 174.700 -0.054 0.000 1.042 156 T CA 0.900 62.916 62.100 -0.140 0.000 1.140 156 T CB -0.591 68.228 68.868 -0.082 0.000 0.870 156 T HN 0.430 nan 8.240 nan 0.000 0.445 157 F N 2.528 122.400 119.950 -0.130 0.000 2.126 157 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 157 F C 2.215 177.978 175.800 -0.062 0.000 1.096 157 F CA 1.229 59.198 58.000 -0.051 0.000 1.255 157 F CB -0.321 38.688 39.000 0.015 0.000 0.997 157 F HN 0.142 nan 8.300 nan 0.000 0.479 158 A N -0.179 122.591 122.820 -0.084 0.000 2.259 158 A HA 0.186 4.506 4.320 -0.000 0.000 0.208 158 A C 1.113 178.654 177.584 -0.072 0.000 1.201 158 A CA 0.232 52.192 52.037 -0.128 0.000 0.824 158 A CB -1.049 17.790 19.000 -0.268 0.000 0.838 158 A HN 0.230 nan 8.150 nan 0.000 0.485 159 S N -0.319 115.321 115.700 -0.100 0.000 2.593 159 S HA 0.338 4.807 4.470 -0.000 0.000 0.300 159 S C 1.555 176.138 174.600 -0.028 0.000 1.267 159 S CA 1.074 59.245 58.200 -0.049 0.000 1.065 159 S CB 0.318 63.479 63.200 -0.064 0.000 0.807 159 S HN 1.548 nan 8.310 nan 0.000 0.499 160 G N 1.999 110.804 108.800 0.009 0.000 2.284 160 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.230 160 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.230 160 G C 0.213 175.112 174.900 -0.001 0.000 1.021 160 G CA -0.069 45.032 45.100 0.003 0.000 0.619 160 G HN 1.300 nan 8.290 nan 0.000 0.510 161 A N 0.256 123.069 122.820 -0.011 0.000 2.409 161 A HA 0.736 5.056 4.320 -0.000 0.000 0.262 161 A C 1.205 178.671 177.584 -0.197 0.000 1.113 161 A CA 0.406 52.386 52.037 -0.095 0.000 0.790 161 A CB 0.346 19.285 19.000 -0.102 0.000 1.046 161 A HN 0.776 nan 8.150 nan 0.000 0.496 162 L N 2.538 123.655 121.223 -0.177 0.000 2.664 162 L HA 0.282 4.622 4.340 -0.000 0.000 0.233 162 L C -0.227 176.537 176.870 -0.177 0.000 1.113 162 L CA 0.325 55.108 54.840 -0.094 0.000 0.896 162 L CB -0.034 42.042 42.059 0.029 0.000 1.163 162 L HN 0.602 nan 8.230 nan 0.000 0.497 163 I N -0.072 120.310 120.570 -0.313 0.000 2.362 163 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 163 I C -0.924 175.035 176.117 -0.264 0.000 0.994 163 I CA -0.353 60.875 61.300 -0.121 0.000 1.158 163 I CB 1.259 39.260 38.000 0.002 0.000 1.315 163 I HN -0.170 nan 8.210 nan 0.000 0.451 164 F N 5.963 126.111 119.950 0.329 0.000 2.508 164 F HA 0.544 5.071 4.527 -0.000 0.000 0.325 164 F C -0.535 175.393 175.800 0.214 0.000 1.090 164 F CA -0.876 57.369 58.000 0.408 0.000 0.945 164 F CB 1.593 40.963 39.000 0.616 0.000 1.156 164 F HN 0.271 nan 8.300 nan 0.000 0.463 165 Y N 1.691 122.086 120.300 0.159 0.000 2.457 165 Y HA 0.791 5.341 4.550 -0.000 0.000 0.343 165 Y C -1.458 174.405 175.900 -0.062 0.000 0.994 165 Y CA -1.448 56.610 58.100 -0.070 0.000 1.031 165 Y CB 1.699 40.150 38.460 -0.016 0.000 1.246 165 Y HN 0.809 nan 8.280 nan 0.000 0.449 166 A N 2.973 125.380 122.820 -0.690 0.000 2.475 166 A HA 0.703 5.023 4.320 -0.000 0.000 0.301 166 A C -0.708 176.386 177.584 -0.817 0.000 1.059 166 A CA -0.398 51.292 52.037 -0.578 0.000 0.710 166 A CB 0.941 19.894 19.000 -0.078 0.000 1.288 166 A HN 0.861 nan 8.150 nan 0.000 0.408 167 T N -0.479 113.724 114.554 -0.585 0.000 2.913 167 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 167 T C 1.224 175.784 174.700 -0.234 0.000 1.008 167 T CA 0.077 61.958 62.100 -0.366 0.000 1.067 167 T CB 1.532 70.303 68.868 -0.162 0.000 0.996 167 T HN 1.486 nan 8.240 nan 0.000 0.513 168 A N 0.841 123.508 122.820 -0.256 0.000 2.070 168 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 168 A C 1.875 179.338 177.584 -0.202 0.000 1.159 168 A CA 0.860 52.752 52.037 -0.242 0.000 0.656 168 A CB -1.350 17.487 19.000 -0.273 0.000 0.800 168 A HN 0.982 nan 8.150 nan 0.000 0.453 169 Y N 0.677 120.868 120.300 -0.183 0.000 2.315 169 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 169 Y C 2.958 178.783 175.900 -0.124 0.000 1.154 169 Y CA 1.180 59.204 58.100 -0.127 0.000 1.229 169 Y CB -0.340 38.082 38.460 -0.064 0.000 0.980 169 Y HN 0.564 nan 8.280 nan 0.000 0.540 170 T N -1.927 112.626 114.554 -0.003 0.000 3.051 170 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 170 T C 1.468 176.087 174.700 -0.134 0.000 1.127 170 T CA 0.653 62.724 62.100 -0.048 0.000 1.107 170 T CB -0.604 68.227 68.868 -0.063 0.000 0.898 170 T HN 0.355 nan 8.240 nan 0.000 0.517 171 L N 1.980 123.033 121.223 -0.284 0.000 2.362 171 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 171 L C 3.024 179.547 176.870 -0.578 0.000 1.134 171 L CA 1.337 55.831 54.840 -0.577 0.000 0.807 171 L CB -1.076 40.353 42.059 -1.050 0.000 0.927 171 L HN 0.506 nan 8.230 nan 0.000 0.447 172 T N -3.361 111.056 114.554 -0.229 0.000 3.072 172 T HA 0.076 4.426 4.350 -0.000 0.000 0.266 172 T C 1.714 176.441 174.700 0.046 0.000 1.127 172 T CA 0.722 62.860 62.100 0.063 0.000 1.107 172 T CB 0.109 69.103 68.868 0.210 0.000 0.910 172 T HN 0.299 nan 8.240 nan 0.000 0.513 173 A N 0.988 123.805 122.820 -0.005 0.000 1.864 173 A HA 0.488 4.808 4.320 -0.000 0.000 0.213 173 A C 1.349 178.922 177.584 -0.019 0.000 1.266 173 A CA 0.987 53.032 52.037 0.014 0.000 0.612 173 A CB -0.259 18.775 19.000 0.056 0.000 0.940 173 A HN 0.564 nan 8.150 nan 0.000 0.463 174 T N -2.556 111.957 114.554 -0.068 0.000 3.097 174 T HA 0.470 4.820 4.350 -0.000 0.000 0.332 174 T C -2.804 171.807 174.700 -0.148 0.000 1.269 174 T CA -0.891 61.154 62.100 -0.091 0.000 1.076 174 T CB 1.717 70.532 68.868 -0.087 0.000 1.209 174 T HN -0.061 nan 8.240 nan 0.000 0.474 175 P HA 0.047 nan 4.420 nan 0.000 0.225 175 P C 1.103 178.307 177.300 -0.160 0.000 1.148 175 P CA 0.769 63.761 63.100 -0.181 0.000 0.779 175 P CB 0.145 31.767 31.700 -0.130 0.000 0.780 176 K N -0.483 119.830 120.400 -0.144 0.000 2.209 176 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 176 K C 1.680 178.157 176.600 -0.205 0.000 1.048 176 K CA 1.408 57.599 56.287 -0.160 0.000 0.940 176 K CB -0.496 31.922 32.500 -0.137 0.000 0.729 176 K HN 0.308 nan 8.250 nan 0.000 0.451 177 N N 0.813 119.383 118.700 -0.216 0.000 2.062 177 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 177 N C 1.952 177.318 175.510 -0.240 0.000 1.042 177 N CA 1.052 53.947 53.050 -0.258 0.000 0.845 177 N CB -0.170 38.192 38.487 -0.208 0.000 1.024 177 N HN 0.142 nan 8.380 nan 0.000 0.424 178 A N 1.181 123.897 122.820 -0.175 0.000 1.933 178 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 178 A C 2.163 179.557 177.584 -0.318 0.000 1.175 178 A CA 1.069 53.018 52.037 -0.146 0.000 0.628 178 A CB -0.753 18.218 19.000 -0.047 0.000 0.814 178 A HN 0.184 nan 8.150 nan 0.000 0.444 179 L N -0.805 120.235 121.223 -0.305 0.000 2.131 179 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 179 L C 2.577 179.222 176.870 -0.374 0.000 1.092 179 L CA 1.482 56.088 54.840 -0.390 0.000 0.759 179 L CB -0.425 41.451 42.059 -0.304 0.000 0.903 179 L HN 0.472 nan 8.230 nan 0.000 0.435 180 E N -0.605 119.425 120.200 -0.283 0.000 2.072 180 E HA -0.163 4.186 4.350 -0.000 0.000 0.190 180 E C 2.281 178.786 176.600 -0.158 0.000 0.982 180 E CA 1.133 57.421 56.400 -0.187 0.000 0.803 180 E CB 0.031 29.623 29.700 -0.180 0.000 0.755 180 E HN 0.261 nan 8.360 nan 0.000 0.453 181 V N 1.412 121.118 119.914 -0.347 0.000 2.295 181 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 181 V C 2.338 178.284 176.094 -0.248 0.000 1.049 181 V CA 1.922 64.044 62.300 -0.296 0.000 1.024 181 V CB -0.686 31.015 31.823 -0.203 0.000 0.648 181 V HN 0.304 nan 8.190 nan 0.000 0.447 182 A N 0.484 122.882 122.820 -0.702 0.000 1.969 182 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 182 A C 2.388 179.805 177.584 -0.278 0.000 1.169 182 A CA 1.740 53.231 52.037 -0.910 0.000 0.635 182 A CB -1.116 17.029 19.000 -1.426 0.000 0.810 182 A HN 0.538 nan 8.150 nan 0.000 0.445 183 G N -1.855 106.803 108.800 -0.237 0.000 2.432 183 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 183 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 183 G C 1.501 176.487 174.900 0.145 0.000 1.135 183 G CA 1.236 46.325 45.100 -0.019 0.000 0.767 183 G HN 0.550 nan 8.290 nan 0.000 0.550 184 Y N 1.872 122.173 120.300 0.001 0.000 2.220 184 Y HA 0.168 4.718 4.550 -0.000 0.000 0.291 184 Y C 2.784 178.662 175.900 -0.037 0.000 1.129 184 Y CA 0.832 58.935 58.100 0.006 0.000 1.161 184 Y CB -0.359 38.141 38.460 0.067 0.000 0.997 184 Y HN 0.221 nan 8.280 nan 0.000 0.522 185 A N -0.913 121.847 122.820 -0.100 0.000 2.016 185 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 185 A C 0.691 178.280 177.584 0.009 0.000 1.162 185 A CA 0.572 52.550 52.037 -0.099 0.000 0.662 185 A CB -1.224 17.810 19.000 0.056 0.000 0.812 185 A HN 0.592 nan 8.150 nan 0.000 0.450 186 H N -1.033 118.044 119.070 0.011 0.000 2.928 186 H HA 0.373 4.929 4.556 -0.000 0.000 0.338 186 H C 1.404 176.730 175.328 -0.003 0.000 1.047 186 H CA 1.031 57.101 56.048 0.037 0.000 1.435 186 H CB 0.366 30.192 29.762 0.106 0.000 1.428 186 H HN 0.493 nan 8.280 nan 0.000 0.590 187 G N 3.958 112.302 108.800 -0.760 0.000 2.205 187 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.261 187 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.261 187 G C 0.237 175.011 174.900 -0.210 0.000 0.980 187 G CA 0.276 45.104 45.100 -0.453 0.000 0.632 187 G HN 0.642 nan 8.290 nan 0.000 0.533 188 I N 1.580 122.055 120.570 -0.158 0.000 2.297 188 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 188 I C -0.948 175.135 176.117 -0.057 0.000 1.033 188 I CA -2.276 58.966 61.300 -0.097 0.000 1.253 188 I CB 1.770 39.707 38.000 -0.106 0.000 1.396 188 I HN -0.151 nan 8.210 nan 0.000 0.476 189 P HA -0.165 nan 4.420 nan 0.000 0.216 189 P C 0.677 177.982 177.300 0.008 0.000 1.150 189 P CA 1.300 64.385 63.100 -0.025 0.000 0.843 189 P CB 0.022 31.708 31.700 -0.023 0.000 0.787 190 N N -1.515 117.196 118.700 0.019 0.000 2.235 190 N HA 0.181 4.921 4.740 -0.000 0.000 0.209 190 N C -0.107 175.456 175.510 0.088 0.000 1.122 190 N CA -0.333 52.743 53.050 0.044 0.000 0.845 190 N CB -0.368 38.135 38.487 0.027 0.000 1.004 190 N HN -0.091 nan 8.380 nan 0.000 0.499 191 A N 0.874 123.763 122.820 0.115 0.000 2.301 191 A HA 0.629 4.949 4.320 -0.000 0.000 0.298 191 A C -0.254 177.505 177.584 0.292 0.000 1.185 191 A CA -0.616 51.572 52.037 0.250 0.000 0.830 191 A CB 0.206 19.340 19.000 0.222 0.000 1.112 191 A HN 0.340 nan 8.150 nan 0.000 0.508 192 I N 2.934 123.744 120.570 0.400 0.000 2.420 192 I HA 0.235 4.405 4.170 -0.000 0.000 0.282 192 I C -0.830 175.598 176.117 0.520 0.000 1.019 192 I CA -0.184 61.326 61.300 0.350 0.000 1.130 192 I CB 1.065 39.202 38.000 0.227 0.000 1.262 192 I HN 0.707 nan 8.210 nan 0.000 0.454 193 F N 6.701 126.858 119.950 0.344 0.000 2.404 193 F HA 0.516 5.043 4.527 -0.000 0.000 0.345 193 F C 0.486 176.443 175.800 0.261 0.000 1.110 193 F CA -0.082 58.125 58.000 0.346 0.000 1.130 193 F CB 1.094 40.235 39.000 0.234 0.000 1.129 193 F HN 0.479 nan 8.300 nan 0.000 0.500 194 T N 5.300 119.520 114.554 -0.558 0.000 2.893 194 T HA 0.700 5.050 4.350 -0.000 0.000 0.291 194 T C -1.504 172.936 174.700 -0.435 0.000 1.028 194 T CA -0.844 61.098 62.100 -0.264 0.000 0.995 194 T CB 1.789 70.758 68.868 0.169 0.000 1.051 194 T HN 0.701 nan 8.240 nan 0.000 0.470 195 L N 2.085 123.231 121.223 -0.129 0.000 2.422 195 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 195 L C -1.216 175.731 176.870 0.129 0.000 0.984 195 L CA -0.631 54.150 54.840 -0.098 0.000 0.819 195 L CB 2.281 44.332 42.059 -0.014 0.000 1.330 195 L HN 0.851 nan 8.230 nan 0.000 0.410 196 N N 3.841 122.574 118.700 0.056 0.000 2.421 196 N HA 0.332 5.072 4.740 -0.000 0.000 0.285 196 N C 0.701 176.129 175.510 -0.135 0.000 1.027 196 N CA -0.331 52.761 53.050 0.069 0.000 0.918 196 N CB 1.713 40.243 38.487 0.071 0.000 1.152 196 N HN 0.827 nan 8.380 nan 0.000 0.485 197 L N 2.129 123.237 121.223 -0.192 0.000 2.275 197 L HA -0.152 4.188 4.340 -0.000 0.000 0.215 197 L C 1.361 178.007 176.870 -0.374 0.000 1.119 197 L CA 0.483 55.148 54.840 -0.292 0.000 0.790 197 L CB -0.237 41.585 42.059 -0.396 0.000 0.919 197 L HN 0.667 nan 8.230 nan 0.000 0.443 198 S N -1.366 114.081 115.700 -0.421 0.000 1.885 198 S HA -0.299 4.171 4.470 -0.000 0.000 0.220 198 S C 0.453 174.677 174.600 -0.626 0.000 0.988 198 S CA 1.513 59.277 58.200 -0.726 0.000 1.627 198 S CB -0.861 61.539 63.200 -1.333 0.000 2.182 198 S HN 0.743 nan 8.310 nan 0.000 0.556 199 A N -0.679 121.853 122.820 -0.480 0.000 2.590 199 A HA 0.655 4.975 4.320 -0.000 0.000 0.296 199 A C -2.715 174.692 177.584 -0.296 0.000 1.050 199 A CA -0.619 51.256 52.037 -0.270 0.000 0.697 199 A CB 0.527 19.493 19.000 -0.056 0.000 1.277 199 A HN 0.008 nan 8.150 nan 0.000 0.411 200 P HA -0.163 nan 4.420 nan 0.000 0.216 200 P C 1.366 178.511 177.300 -0.258 0.000 1.153 200 P CA 2.179 64.984 63.100 -0.493 0.000 0.858 200 P CB -0.172 30.959 31.700 -0.948 0.000 0.789 201 F N -1.456 118.403 119.950 -0.152 0.000 2.269 201 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 201 F C 1.710 177.506 175.800 -0.007 0.000 1.082 201 F CA 0.671 58.635 58.000 -0.060 0.000 1.360 201 F CB -1.727 37.266 39.000 -0.011 0.000 1.041 201 F HN -0.112 nan 8.300 nan 0.000 0.512 202 C N 0.515 119.394 119.300 -0.702 0.000 2.435 202 C HA -0.061 4.399 4.460 -0.000 0.000 0.279 202 C C 2.909 177.852 174.990 -0.080 0.000 1.321 202 C CA 0.843 59.627 59.018 -0.390 0.000 1.752 202 C CB -1.026 26.435 27.740 -0.465 0.000 1.959 202 C HN 0.505 nan 8.230 nan 0.000 0.500 203 V N 1.011 120.851 119.914 -0.124 0.000 2.343 203 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 203 V C 2.359 178.462 176.094 0.016 0.000 1.051 203 V CA 1.953 64.243 62.300 -0.017 0.000 1.036 203 V CB -0.623 31.194 31.823 -0.009 0.000 0.654 203 V HN 0.621 nan 8.190 nan 0.000 0.451 204 E N -0.363 119.834 120.200 -0.005 0.000 2.033 204 E HA -0.141 4.209 4.350 -0.000 0.000 0.189 204 E C 2.125 178.678 176.600 -0.077 0.000 0.979 204 E CA 0.901 57.293 56.400 -0.013 0.000 0.802 204 E CB -0.210 29.509 29.700 0.032 0.000 0.763 204 E HN 0.367 nan 8.360 nan 0.000 0.449 205 L N 0.236 121.373 121.223 -0.144 0.000 2.083 205 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 205 L C 0.965 177.479 176.870 -0.594 0.000 1.083 205 L CA 1.740 56.343 54.840 -0.395 0.000 0.752 205 L CB -0.165 41.600 42.059 -0.490 0.000 0.899 205 L HN 0.122 nan 8.230 nan 0.000 0.433 206 Y N -1.193 119.110 120.300 0.005 0.000 2.751 206 Y HA 0.183 4.733 4.550 -0.000 0.000 0.289 206 Y C 1.778 177.688 175.900 0.017 0.000 1.110 206 Y CA -0.293 57.808 58.100 0.001 0.000 1.251 206 Y CB -0.235 38.211 38.460 -0.024 0.000 1.178 206 Y HN 0.106 nan 8.280 nan 0.000 0.540 207 K N 0.890 121.335 120.400 0.075 0.000 2.034 207 K HA -0.245 4.075 4.320 -0.000 0.000 0.214 207 K C 0.902 177.594 176.600 0.153 0.000 1.051 207 K CA 2.503 58.847 56.287 0.094 0.000 0.931 207 K CB 0.011 32.497 32.500 -0.024 0.000 0.715 207 K HN 0.387 nan 8.250 nan 0.000 0.446 208 D N -0.255 120.207 120.400 0.103 0.000 2.162 208 D HA -0.064 4.576 4.640 -0.000 0.000 0.203 208 D C 1.901 178.255 176.300 0.089 0.000 0.967 208 D CA 1.094 55.152 54.000 0.097 0.000 0.840 208 D CB -0.044 40.792 40.800 0.060 0.000 0.972 208 D HN 0.394 nan 8.370 nan 0.000 0.482 209 A N 1.461 124.338 122.820 0.096 0.000 1.902 209 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 209 A C 2.181 179.794 177.584 0.048 0.000 1.181 209 A CA 1.246 53.320 52.037 0.062 0.000 0.623 209 A CB -0.578 18.467 19.000 0.076 0.000 0.818 209 A HN 0.167 nan 8.150 nan 0.000 0.443 210 M N -1.013 118.639 119.600 0.086 0.000 2.254 210 M HA -0.172 4.308 4.480 -0.000 0.000 0.265 210 M C 2.327 178.649 176.300 0.035 0.000 1.066 210 M CA 1.976 57.310 55.300 0.057 0.000 1.123 210 M CB -0.166 32.486 32.600 0.087 0.000 1.388 210 M HN 0.618 nan 8.290 nan 0.000 0.425 211 Q N -0.681 119.157 119.800 0.065 0.000 2.096 211 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 211 Q C 2.028 178.039 176.000 0.017 0.000 0.982 211 Q CA 2.208 58.017 55.803 0.010 0.000 0.850 211 Q CB -0.128 28.669 28.738 0.098 0.000 0.901 211 Q HN 0.573 nan 8.270 nan 0.000 0.422 212 S N -0.290 115.434 115.700 0.041 0.000 2.355 212 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 212 S C 1.850 176.521 174.600 0.118 0.000 1.031 212 S CA 1.011 59.249 58.200 0.063 0.000 0.993 212 S CB -0.340 62.883 63.200 0.040 0.000 0.859 212 S HN 0.455 nan 8.310 nan 0.000 0.453 213 L N 1.781 123.024 121.223 0.033 0.000 2.042 213 L HA 0.041 4.381 4.340 -0.000 0.000 0.210 213 L C 2.149 179.081 176.870 0.103 0.000 1.076 213 L CA 1.680 56.523 54.840 0.004 0.000 0.749 213 L CB -0.745 41.299 42.059 -0.025 0.000 0.893 213 L HN 0.402 nan 8.230 nan 0.000 0.432 214 L N -1.396 119.870 121.223 0.070 0.000 2.131 214 L HA -0.236 4.103 4.340 -0.000 0.000 0.210 214 L C 2.434 179.346 176.870 0.070 0.000 1.092 214 L CA 1.001 55.880 54.840 0.065 0.000 0.759 214 L CB -0.491 41.558 42.059 -0.016 0.000 0.903 214 L HN 0.305 nan 8.230 nan 0.000 0.435 215 L N -1.043 120.203 121.223 0.038 0.000 2.187 215 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 215 L C 1.672 178.481 176.870 -0.101 0.000 1.100 215 L CA 1.045 55.852 54.840 -0.055 0.000 0.765 215 L CB -0.597 41.364 42.059 -0.163 0.000 0.904 215 L HN 0.369 nan 8.230 nan 0.000 0.437 216 H N -2.117 116.927 119.070 -0.045 0.000 2.517 216 H HA 0.154 4.710 4.556 -0.000 0.000 0.282 216 H C 0.150 175.568 175.328 0.150 0.000 1.023 216 H CA -0.067 55.981 56.048 0.001 0.000 1.169 216 H CB 0.100 29.756 29.762 -0.177 0.000 1.454 216 H HN 0.021 nan 8.280 nan 0.000 0.556 217 T N -0.194 114.537 114.554 0.294 0.000 2.829 217 T HA 0.133 4.483 4.350 -0.000 0.000 0.282 217 T C 0.736 175.584 174.700 0.248 0.000 0.990 217 T CA -0.541 61.796 62.100 0.396 0.000 1.028 217 T CB 1.299 70.359 68.868 0.320 0.000 0.951 217 T HN 0.368 nan 8.240 nan 0.000 0.460 218 N N 1.556 120.403 118.700 0.244 0.000 2.439 218 N HA 0.267 5.007 4.740 -0.000 0.000 0.176 218 N C -0.146 175.388 175.510 0.039 0.000 1.029 218 N CA 0.464 53.598 53.050 0.140 0.000 0.886 218 N CB 0.466 39.055 38.487 0.170 0.000 1.057 218 N HN 0.504 nan 8.380 nan 0.000 0.437 219 I N 1.100 121.644 120.570 -0.042 0.000 2.499 219 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 219 I C -1.574 174.311 176.117 -0.387 0.000 1.048 219 I CA -0.939 60.201 61.300 -0.267 0.000 1.062 219 I CB 2.402 40.153 38.000 -0.414 0.000 1.238 219 I HN -0.083 nan 8.210 nan 0.000 0.426 220 L N 7.192 128.199 121.223 -0.360 0.000 2.313 220 L HA 0.619 4.959 4.340 -0.000 0.000 0.283 220 L C -1.350 175.326 176.870 -0.323 0.000 1.013 220 L CA 0.106 54.801 54.840 -0.241 0.000 0.816 220 L CB 0.900 42.945 42.059 -0.023 0.000 1.236 220 L HN 0.270 nan 8.230 nan 0.000 0.419 221 F N 3.428 123.393 119.950 0.025 0.000 2.458 221 F HA 0.871 5.398 4.527 -0.000 0.000 0.330 221 F C 0.948 176.749 175.800 0.002 0.000 1.082 221 F CA -0.159 57.869 58.000 0.046 0.000 0.995 221 F CB 2.090 41.100 39.000 0.018 0.000 1.170 221 F HN 0.634 nan 8.300 nan 0.000 0.478 222 G N 1.234 110.221 108.800 0.311 0.000 2.523 222 G HA2 0.372 4.332 3.960 -0.000 0.000 0.291 222 G HA3 0.372 4.332 3.960 -0.000 0.000 0.291 222 G C -2.032 173.006 174.900 0.229 0.000 1.450 222 G CA -1.112 44.010 45.100 0.036 0.000 0.790 222 G HN 0.653 nan 8.290 nan 0.000 0.496 223 N N -0.964 117.793 118.700 0.094 0.000 2.538 223 N HA 0.316 5.056 4.740 -0.000 0.000 0.292 223 N C 0.792 176.433 175.510 0.218 0.000 1.262 223 N CA -0.455 52.663 53.050 0.113 0.000 0.976 223 N CB 1.052 39.554 38.487 0.025 0.000 1.161 223 N HN 0.563 nan 8.380 nan 0.000 0.598 224 E N -0.658 119.632 120.200 0.151 0.000 2.077 224 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 224 E C 1.356 178.069 176.600 0.189 0.000 0.989 224 E CA 1.626 58.127 56.400 0.168 0.000 0.800 224 E CB -0.066 29.694 29.700 0.099 0.000 0.746 224 E HN 0.860 nan 8.360 nan 0.000 0.452 225 E N 1.152 121.441 120.200 0.147 0.000 2.152 225 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 225 E C 1.655 178.382 176.600 0.213 0.000 0.983 225 E CA 0.984 57.499 56.400 0.192 0.000 0.818 225 E CB -0.059 29.736 29.700 0.158 0.000 0.758 225 E HN 0.243 nan 8.360 nan 0.000 0.467 226 E N 0.109 120.350 120.200 0.069 0.000 2.051 226 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 226 E C 1.743 178.322 176.600 -0.036 0.000 0.991 226 E CA 1.386 57.749 56.400 -0.061 0.000 0.799 226 E CB -0.218 29.352 29.700 -0.217 0.000 0.748 226 E HN 0.267 nan 8.360 nan 0.000 0.449 227 F N 0.791 120.774 119.950 0.056 0.000 2.171 227 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 227 F C 2.326 178.169 175.800 0.071 0.000 1.090 227 F CA 1.047 59.074 58.000 0.044 0.000 1.293 227 F CB -0.531 38.470 39.000 0.002 0.000 1.013 227 F HN 0.008 nan 8.300 nan 0.000 0.486 228 A N -0.759 122.219 122.820 0.264 0.000 1.908 228 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 228 A C 2.136 179.792 177.584 0.120 0.000 1.181 228 A CA 1.826 53.970 52.037 0.178 0.000 0.627 228 A CB -1.036 18.054 19.000 0.150 0.000 0.818 228 A HN 0.460 nan 8.150 nan 0.000 0.445 229 H N -1.546 117.567 119.070 0.072 0.000 2.363 229 H HA -0.066 4.490 4.556 -0.000 0.000 0.301 229 H C 2.151 177.512 175.328 0.055 0.000 1.074 229 H CA 1.590 57.665 56.048 0.045 0.000 1.354 229 H CB -0.192 29.582 29.762 0.019 0.000 1.397 229 H HN 0.415 nan 8.280 nan 0.000 0.516 230 L N 1.141 122.475 121.223 0.186 0.000 2.043 230 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 230 L C 2.621 179.631 176.870 0.232 0.000 1.075 230 L CA 1.785 56.749 54.840 0.208 0.000 0.752 230 L CB -0.602 41.525 42.059 0.112 0.000 0.891 230 L HN 0.171 nan 8.230 nan 0.000 0.432 231 A N -1.040 121.891 122.820 0.184 0.000 1.933 231 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 231 A C 2.434 180.081 177.584 0.104 0.000 1.175 231 A CA 1.945 54.070 52.037 0.146 0.000 0.628 231 A CB -0.528 18.543 19.000 0.120 0.000 0.814 231 A HN 0.496 nan 8.150 nan 0.000 0.444 232 K N -0.545 119.894 120.400 0.066 0.000 2.076 232 K HA 0.005 4.325 4.320 -0.000 0.000 0.204 232 K C 1.679 178.272 176.600 -0.011 0.000 1.051 232 K CA 1.231 57.527 56.287 0.015 0.000 0.949 232 K CB -0.114 32.365 32.500 -0.035 0.000 0.726 232 K HN 0.192 nan 8.250 nan 0.000 0.443 233 V N 0.736 120.629 119.914 -0.036 0.000 2.548 233 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 233 V C 1.464 177.352 176.094 -0.344 0.000 1.055 233 V CA 1.363 63.550 62.300 -0.188 0.000 1.065 233 V CB -0.413 31.269 31.823 -0.236 0.000 0.681 233 V HN 0.395 nan 8.190 nan 0.000 0.462 234 H N -0.003 119.087 119.070 0.033 0.000 2.505 234 H HA 0.247 4.803 4.556 -0.000 0.000 0.289 234 H C 0.348 175.693 175.328 0.028 0.000 1.052 234 H CA -0.225 55.841 56.048 0.030 0.000 1.156 234 H CB -0.040 29.743 29.762 0.035 0.000 1.507 234 H HN 0.417 nan 8.280 nan 0.000 0.548 235 N N 1.349 120.100 118.700 0.085 0.000 2.705 235 N HA -0.195 4.545 4.740 -0.000 0.000 0.255 235 N C 0.981 176.538 175.510 0.079 0.000 1.008 235 N CA 0.271 53.360 53.050 0.064 0.000 0.742 235 N CB -1.381 37.132 38.487 0.043 0.000 0.906 235 N HN 0.458 nan 8.380 nan 0.000 0.541 236 L N -1.125 120.155 121.223 0.094 0.000 2.341 236 L HA 0.039 4.379 4.340 -0.000 0.000 0.214 236 L C 1.236 178.139 176.870 0.054 0.000 1.115 236 L CA 0.621 55.508 54.840 0.078 0.000 0.820 236 L CB 0.093 42.204 42.059 0.087 0.000 0.944 236 L HN 0.275 nan 8.230 nan 0.000 0.452 237 V N -4.145 115.806 119.914 0.062 0.000 3.074 237 V HA 0.814 4.934 4.120 -0.000 0.000 0.314 237 V C 0.136 176.265 176.094 0.057 0.000 1.117 237 V CA -1.233 61.106 62.300 0.065 0.000 1.014 237 V CB 1.413 33.298 31.823 0.103 0.000 1.057 237 V HN -0.039 nan 8.190 nan 0.000 0.438 238 A N 1.420 124.270 122.820 0.050 0.000 2.448 238 A HA 0.646 4.966 4.320 -0.000 0.000 0.239 238 A C 1.715 179.319 177.584 0.033 0.000 1.080 238 A CA 0.393 52.451 52.037 0.035 0.000 0.779 238 A CB 0.039 19.056 19.000 0.028 0.000 1.026 238 A HN 2.210 nan 8.150 nan 0.000 0.499 239 A N -0.029 122.803 122.820 0.020 0.000 1.917 239 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 239 A C 1.892 179.480 177.584 0.006 0.000 1.182 239 A CA 2.049 54.093 52.037 0.012 0.000 0.633 239 A CB -0.685 18.318 19.000 0.005 0.000 0.819 239 A HN 0.972 nan 8.150 nan 0.000 0.448 240 E N -0.230 119.973 120.200 0.004 0.000 2.209 240 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 240 E C 1.371 177.961 176.600 -0.017 0.000 0.993 240 E CA 1.310 57.706 56.400 -0.006 0.000 0.819 240 E CB -0.044 29.654 29.700 -0.003 0.000 0.745 240 E HN 0.677 nan 8.360 nan 0.000 0.477 241 K N -0.637 119.765 120.400 0.003 0.000 2.358 241 K HA 0.043 4.362 4.320 -0.000 0.000 0.197 241 K C 1.664 178.271 176.600 0.011 0.000 1.025 241 K CA 0.738 57.021 56.287 -0.006 0.000 1.104 241 K CB 0.594 33.149 32.500 0.093 0.000 0.855 241 K HN 0.102 nan 8.250 nan 0.000 0.531 242 T N -1.669 112.903 114.554 0.030 0.000 3.072 242 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 242 T C 1.719 176.428 174.700 0.015 0.000 1.127 242 T CA 0.690 62.825 62.100 0.060 0.000 1.107 242 T CB 0.108 68.993 68.868 0.029 0.000 0.910 242 T HN 0.108 nan 8.240 nan 0.000 0.513 243 A N 0.412 123.202 122.820 -0.049 0.000 2.348 243 A HA 0.553 4.873 4.320 -0.000 0.000 0.224 243 A C 0.828 178.335 177.584 -0.128 0.000 1.227 243 A CA -0.464 51.535 52.037 -0.065 0.000 0.885 243 A CB -0.119 18.849 19.000 -0.053 0.000 0.933 243 A HN 0.497 nan 8.150 nan 0.000 0.506 244 L N 1.066 122.109 121.223 -0.300 0.000 2.456 244 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 244 L C 1.030 177.699 176.870 -0.334 0.000 1.189 244 L CA -0.233 54.320 54.840 -0.478 0.000 0.846 244 L CB 1.093 42.568 42.059 -0.974 0.000 1.111 244 L HN 0.297 nan 8.230 nan 0.000 0.475 245 S N 0.514 116.129 115.700 -0.141 0.000 2.531 245 S HA 0.033 4.503 4.470 -0.000 0.000 0.279 245 S C 1.208 175.895 174.600 0.144 0.000 1.305 245 S CA -0.317 57.892 58.200 0.015 0.000 1.058 245 S CB 0.857 64.067 63.200 0.017 0.000 0.899 245 S HN 0.743 nan 8.310 nan 0.000 0.493 246 T N 2.634 117.313 114.554 0.209 0.000 3.160 246 T HA 0.161 4.511 4.350 -0.000 0.000 0.257 246 T C 1.532 176.276 174.700 0.073 0.000 1.147 246 T CA 0.451 62.656 62.100 0.176 0.000 1.064 246 T CB -0.245 68.692 68.868 0.114 0.000 0.949 246 T HN 0.678 nan 8.240 nan 0.000 0.526 247 A N 1.589 124.445 122.820 0.061 0.000 2.119 247 A HA 0.184 4.504 4.320 -0.000 0.000 0.216 247 A C 1.145 178.743 177.584 0.023 0.000 1.152 247 A CA 0.041 52.093 52.037 0.024 0.000 0.708 247 A CB -0.657 18.366 19.000 0.038 0.000 0.805 247 A HN 0.590 nan 8.150 nan 0.000 0.460 248 N N 0.207 118.936 118.700 0.048 0.000 2.411 248 N HA 0.128 4.868 4.740 -0.000 0.000 0.259 248 N C 0.910 176.450 175.510 0.050 0.000 1.103 248 N CA -0.116 52.963 53.050 0.049 0.000 0.954 248 N CB 0.596 39.118 38.487 0.058 0.000 1.085 248 N HN 0.278 nan 8.380 nan 0.000 0.485 249 K N 2.823 123.235 120.400 0.020 0.000 2.044 249 K HA -0.294 4.026 4.320 -0.000 0.000 0.210 249 K C 1.811 178.415 176.600 0.005 0.000 1.049 249 K CA 2.182 58.470 56.287 0.001 0.000 0.927 249 K CB -0.143 32.354 32.500 -0.005 0.000 0.713 249 K HN 0.694 nan 8.250 nan 0.000 0.443 250 E N 0.476 120.692 120.200 0.026 0.000 2.077 250 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 250 E C 1.767 178.395 176.600 0.046 0.000 0.989 250 E CA 1.853 58.269 56.400 0.026 0.000 0.800 250 E CB -1.074 28.645 29.700 0.031 0.000 0.746 250 E HN 0.658 nan 8.360 nan 0.000 0.452 251 H N 0.185 119.242 119.070 -0.022 0.000 2.353 251 H HA 0.193 4.749 4.556 -0.000 0.000 0.300 251 H C 2.347 177.653 175.328 -0.035 0.000 1.090 251 H CA 2.202 58.238 56.048 -0.021 0.000 1.327 251 H CB -0.470 29.285 29.762 -0.012 0.000 1.383 251 H HN 0.424 nan 8.280 nan 0.000 0.508 252 A N -0.119 122.638 122.820 -0.105 0.000 1.908 252 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 252 A C 2.705 180.157 177.584 -0.220 0.000 1.181 252 A CA 1.869 53.789 52.037 -0.194 0.000 0.627 252 A CB -0.968 17.967 19.000 -0.109 0.000 0.818 252 A HN 0.334 nan 8.150 nan 0.000 0.445 253 V N -0.156 119.672 119.914 -0.142 0.000 2.427 253 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 253 V C 2.485 178.499 176.094 -0.134 0.000 1.051 253 V CA 2.208 64.433 62.300 -0.124 0.000 1.048 253 V CB -0.650 31.127 31.823 -0.076 0.000 0.666 253 V HN 0.785 nan 8.190 nan 0.000 0.456 254 E N 0.052 120.173 120.200 -0.133 0.000 2.106 254 E HA -0.169 4.180 4.350 -0.000 0.000 0.192 254 E C 2.196 178.705 176.600 -0.151 0.000 0.984 254 E CA 1.367 57.700 56.400 -0.111 0.000 0.806 254 E CB 0.051 29.717 29.700 -0.057 0.000 0.750 254 E HN 0.413 nan 8.360 nan 0.000 0.458 255 V N 0.459 120.214 119.914 -0.265 0.000 2.307 255 V HA -0.317 3.803 4.120 -0.000 0.000 0.245 255 V C 2.510 178.485 176.094 -0.197 0.000 1.045 255 V CA 1.621 63.783 62.300 -0.229 0.000 1.024 255 V CB -0.430 31.210 31.823 -0.305 0.000 0.651 255 V HN 0.543 nan 8.190 nan 0.000 0.449 256 C N -0.322 118.807 119.300 -0.284 0.000 2.429 256 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 256 C C 2.984 177.889 174.990 -0.141 0.000 1.262 256 C CA 1.745 60.586 59.018 -0.294 0.000 1.733 256 C CB -1.271 26.289 27.740 -0.300 0.000 2.010 256 C HN 0.625 nan 8.230 nan 0.000 0.483 257 T N 0.310 114.797 114.554 -0.111 0.000 2.777 257 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 257 T C 1.969 176.645 174.700 -0.040 0.000 1.040 257 T CA 1.745 63.806 62.100 -0.065 0.000 1.141 257 T CB -0.541 68.291 68.868 -0.059 0.000 0.868 257 T HN 0.693 nan 8.240 nan 0.000 0.444 258 G N 0.972 109.750 108.800 -0.037 0.000 2.408 258 G HA2 0.007 3.967 3.960 -0.000 0.000 0.217 258 G HA3 0.007 3.967 3.960 -0.000 0.000 0.217 258 G C 1.821 176.728 174.900 0.011 0.000 1.150 258 G CA 0.793 45.889 45.100 -0.006 0.000 0.776 258 G HN 0.563 nan 8.290 nan 0.000 0.542 259 A N 0.487 123.322 122.820 0.025 0.000 1.972 259 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 259 A C 2.310 179.917 177.584 0.039 0.000 1.169 259 A CA 1.575 53.657 52.037 0.074 0.000 0.635 259 A CB -0.388 18.743 19.000 0.218 0.000 0.810 259 A HN 0.432 nan 8.150 nan 0.000 0.446 260 L N 0.138 121.369 121.223 0.013 0.000 2.127 260 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 260 L C 2.791 179.664 176.870 0.006 0.000 1.089 260 L CA 2.551 57.396 54.840 0.008 0.000 0.757 260 L CB -0.831 41.224 42.059 -0.006 0.000 0.899 260 L HN 0.449 nan 8.230 nan 0.000 0.434 261 R N -0.187 120.314 120.500 0.001 0.000 2.152 261 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 261 R C 2.054 178.349 176.300 -0.009 0.000 1.117 261 R CA 1.761 57.860 56.100 -0.001 0.000 0.981 261 R CB -1.720 28.580 30.300 0.000 0.000 0.870 261 R HN 0.600 nan 8.270 nan 0.000 0.451 262 L N -0.176 121.035 121.223 -0.019 0.000 2.275 262 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 262 L C 1.988 178.845 176.870 -0.023 0.000 1.119 262 L CA 0.681 55.493 54.840 -0.046 0.000 0.790 262 L CB -0.250 41.745 42.059 -0.106 0.000 0.919 262 L HN 0.233 nan 8.230 nan 0.000 0.443 263 L N -0.946 120.278 121.223 0.002 0.000 2.202 263 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 263 L C 2.699 179.582 176.870 0.023 0.000 1.083 263 L CA 1.750 56.603 54.840 0.023 0.000 0.790 263 L CB -0.815 41.266 42.059 0.037 0.000 0.942 263 L HN 0.298 nan 8.230 nan 0.000 0.452 264 T N -3.926 110.637 114.554 0.014 0.000 3.009 264 T HA 0.240 4.590 4.350 -0.000 0.000 0.258 264 T C 1.362 176.066 174.700 0.007 0.000 1.063 264 T CA 0.418 62.528 62.100 0.015 0.000 1.139 264 T CB -0.114 68.761 68.868 0.012 0.000 0.890 264 T HN 0.259 nan 8.240 nan 0.000 0.471 265 A N 0.890 123.709 122.820 -0.002 0.000 2.826 265 A HA 0.101 4.421 4.320 -0.000 0.000 0.274 265 A C 1.894 179.477 177.584 -0.002 0.000 1.443 265 A CA 1.323 53.356 52.037 -0.006 0.000 0.833 265 A CB -2.374 16.617 19.000 -0.015 0.000 1.023 265 A HN 2.170 nan 8.150 nan 0.000 0.600 266 G N -2.603 106.198 108.800 0.001 0.000 2.189 266 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.267 266 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.267 266 G C 0.110 175.012 174.900 0.002 0.000 0.975 266 G CA 1.175 46.276 45.100 0.001 0.000 0.644 266 G HN 1.276 nan 8.290 nan 0.000 0.537 267 Q N -0.375 119.427 119.800 0.004 0.000 2.221 267 Q HA 0.516 4.855 4.340 -0.000 0.000 0.242 267 Q C -0.473 175.531 176.000 0.006 0.000 0.940 267 Q CA -0.611 55.195 55.803 0.005 0.000 0.896 267 Q CB 1.081 29.824 28.738 0.009 0.000 1.226 267 Q HN 0.259 nan 8.270 nan 0.000 0.463 268 N N 0.453 119.156 118.700 0.004 0.000 2.461 268 N HA 0.285 5.025 4.740 -0.000 0.000 0.284 268 N C -1.254 174.255 175.510 -0.000 0.000 1.049 268 N CA -0.178 52.874 53.050 0.004 0.000 0.889 268 N CB 1.489 39.978 38.487 0.003 0.000 1.365 268 N HN 0.619 nan 8.380 nan 0.000 0.499 269 T N -0.788 113.765 114.554 -0.002 0.000 2.718 269 T HA 0.386 4.736 4.350 -0.000 0.000 0.267 269 T C 0.951 175.648 174.700 -0.005 0.000 0.957 269 T CA 0.002 62.096 62.100 -0.010 0.000 1.025 269 T CB 0.442 69.295 68.868 -0.026 0.000 1.355 269 T HN 0.321 nan 8.240 nan 0.000 0.572 270 S N -0.515 115.178 115.700 -0.010 0.000 2.558 270 S HA 0.429 4.899 4.470 -0.000 0.000 0.217 270 S C 1.045 175.647 174.600 0.002 0.000 0.975 270 S CA -0.126 58.072 58.200 -0.003 0.000 0.912 270 S CB -0.876 62.321 63.200 -0.006 0.000 0.776 270 S HN 1.091 nan 8.310 nan 0.000 0.526 271 A N 1.764 124.583 122.820 -0.003 0.000 2.386 271 A HA 0.518 4.838 4.320 -0.000 0.000 0.248 271 A C 0.513 178.115 177.584 0.030 0.000 1.082 271 A CA -0.243 51.800 52.037 0.010 0.000 0.789 271 A CB -0.213 18.782 19.000 -0.009 0.000 1.025 271 A HN 0.358 nan 8.150 nan 0.000 0.490 272 T N 3.109 117.693 114.554 0.049 0.000 2.888 272 T HA 0.300 4.650 4.350 -0.000 0.000 0.301 272 T C -0.119 174.618 174.700 0.061 0.000 1.001 272 T CA 0.332 62.468 62.100 0.060 0.000 1.147 272 T CB 0.019 68.933 68.868 0.077 0.000 0.931 272 T HN 0.452 nan 8.240 nan 0.000 0.541 273 K N 3.204 123.636 120.400 0.052 0.000 2.637 273 K HA 0.528 4.847 4.320 -0.000 0.000 0.248 273 K C -1.467 175.156 176.600 0.038 0.000 0.971 273 K CA -0.721 55.592 56.287 0.045 0.000 0.858 273 K CB 2.215 34.739 32.500 0.039 0.000 1.170 273 K HN 0.394 nan 8.250 nan 0.000 0.443 274 L N 2.166 123.399 121.223 0.016 0.000 2.526 274 L HA 0.475 4.815 4.340 -0.000 0.000 0.263 274 L C -1.728 175.111 176.870 -0.052 0.000 0.943 274 L CA -0.691 54.153 54.840 0.006 0.000 0.859 274 L CB 2.235 44.308 42.059 0.023 0.000 1.313 274 L HN 0.290 nan 8.230 nan 0.000 0.406 275 V N 5.195 125.090 119.914 -0.031 0.000 2.495 275 V HA 0.681 4.801 4.120 -0.000 0.000 0.298 275 V C -0.770 175.287 176.094 -0.061 0.000 1.031 275 V CA -0.586 61.691 62.300 -0.037 0.000 0.871 275 V CB 2.064 33.883 31.823 -0.006 0.000 0.988 275 V HN 0.523 nan 8.190 nan 0.000 0.432 276 V N 6.057 125.944 119.914 -0.046 0.000 2.407 276 V HA 0.485 4.605 4.120 -0.000 0.000 0.291 276 V C -0.173 175.963 176.094 0.070 0.000 1.018 276 V CA -0.420 61.892 62.300 0.020 0.000 0.842 276 V CB 1.669 33.547 31.823 0.092 0.000 0.996 276 V HN 0.885 nan 8.190 nan 0.000 0.426 277 M N 5.625 125.167 119.600 -0.096 0.000 2.114 277 M HA 0.455 4.935 4.480 -0.000 0.000 0.332 277 M C 0.256 176.499 176.300 -0.096 0.000 1.014 277 M CA -0.290 54.943 55.300 -0.111 0.000 0.956 277 M CB 1.490 33.829 32.600 -0.436 0.000 1.551 277 M HN 0.856 nan 8.290 nan 0.000 0.427 278 T N 2.570 117.053 114.554 -0.117 0.000 2.913 278 T HA 0.454 4.804 4.350 -0.000 0.000 0.297 278 T C 0.224 174.858 174.700 -0.110 0.000 1.029 278 T CA -0.520 61.433 62.100 -0.245 0.000 1.104 278 T CB 1.008 69.615 68.868 -0.436 0.000 0.964 278 T HN 0.886 nan 8.240 nan 0.000 0.532 279 R N 1.247 121.684 120.500 -0.106 0.000 2.617 279 R HA 0.404 4.743 4.340 -0.000 0.000 0.432 279 R C 1.353 177.612 176.300 -0.069 0.000 1.018 279 R CA -0.102 55.956 56.100 -0.071 0.000 1.077 279 R CB 0.341 30.588 30.300 -0.088 0.000 1.394 279 R HN 1.134 nan 8.270 nan 0.000 0.608 280 G N 2.059 110.839 108.800 -0.035 0.000 2.591 280 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.298 280 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.298 280 G C 0.751 175.678 174.900 0.045 0.000 1.195 280 G CA 0.642 45.761 45.100 0.032 0.000 0.989 280 G HN 0.650 nan 8.290 nan 0.000 0.551 281 H N 2.146 121.226 119.070 0.017 0.000 2.547 281 H HA 0.155 4.711 4.556 -0.000 0.000 0.272 281 H C 0.969 176.312 175.328 0.025 0.000 0.989 281 H CA 1.108 57.171 56.048 0.024 0.000 1.214 281 H CB -0.304 29.473 29.762 0.025 0.000 1.389 281 H HN 0.354 nan 8.280 nan 0.000 0.577 282 N N 2.369 120.748 118.700 -0.536 0.000 2.483 282 N HA 0.200 4.940 4.740 -0.000 0.000 0.269 282 N C -2.416 173.000 175.510 -0.156 0.000 1.209 282 N CA -1.846 50.956 53.050 -0.412 0.000 0.969 282 N CB 0.771 39.018 38.487 -0.401 0.000 1.173 282 N HN 0.163 nan 8.380 nan 0.000 0.475 283 P HA -0.012 nan 4.420 nan 0.000 0.267 283 P C -0.333 176.951 177.300 -0.027 0.000 1.200 283 P CA -0.039 63.045 63.100 -0.026 0.000 0.772 283 P CB 0.539 32.234 31.700 -0.007 0.000 0.855 284 V N 4.691 124.614 119.914 0.015 0.000 2.637 284 V HA 0.069 4.189 4.120 -0.000 0.000 0.296 284 V C 0.639 176.752 176.094 0.032 0.000 1.046 284 V CA 0.428 62.737 62.300 0.015 0.000 1.066 284 V CB 0.040 31.919 31.823 0.093 0.000 0.968 284 V HN 0.364 nan 8.190 nan 0.000 0.483 285 I N 3.696 124.261 120.570 -0.008 0.000 2.474 285 I HA 0.771 4.941 4.170 -0.000 0.000 0.294 285 I C 0.206 176.318 176.117 -0.008 0.000 1.005 285 I CA -0.309 60.983 61.300 -0.013 0.000 1.113 285 I CB 1.534 39.489 38.000 -0.076 0.000 1.289 285 I HN 0.740 nan 8.210 nan 0.000 0.436 286 A N 4.663 127.521 122.820 0.064 0.000 2.498 286 A HA 0.940 5.260 4.320 -0.000 0.000 0.298 286 A C -1.083 176.547 177.584 0.078 0.000 1.075 286 A CA -0.613 51.477 52.037 0.088 0.000 0.714 286 A CB 1.932 21.061 19.000 0.215 0.000 1.299 286 A HN 0.785 nan 8.150 nan 0.000 0.407 287 A N 0.910 123.747 122.820 0.028 0.000 2.330 287 A HA 0.721 5.041 4.320 -0.000 0.000 0.313 287 A C -0.558 177.056 177.584 0.050 0.000 1.124 287 A CA -0.351 51.685 52.037 -0.002 0.000 0.774 287 A CB 0.848 19.816 19.000 -0.054 0.000 1.198 287 A HN 0.830 nan 8.150 nan 0.000 0.465 288 E N 2.080 122.315 120.200 0.059 0.000 2.210 288 E HA 0.291 4.641 4.350 -0.000 0.000 0.266 288 E C -0.826 175.802 176.600 0.047 0.000 0.883 288 E CA -0.491 55.972 56.400 0.105 0.000 0.761 288 E CB 1.234 31.097 29.700 0.271 0.000 1.156 288 E HN 0.725 nan 8.360 nan 0.000 0.412 289 Q N 3.754 123.579 119.800 0.042 0.000 2.337 289 Q HA 0.151 4.491 4.340 -0.000 0.000 0.255 289 Q C -0.186 175.835 176.000 0.035 0.000 0.997 289 Q CA -0.337 55.482 55.803 0.026 0.000 0.925 289 Q CB 0.833 29.582 28.738 0.020 0.000 1.212 289 Q HN 0.726 nan 8.270 nan 0.000 0.436 290 T N 0.331 114.902 114.554 0.028 0.000 2.793 290 T HA 0.389 4.739 4.350 -0.000 0.000 0.299 290 T C 1.326 176.039 174.700 0.022 0.000 1.038 290 T CA -0.023 62.097 62.100 0.033 0.000 0.948 290 T CB 0.670 69.555 68.868 0.028 0.000 1.231 290 T HN 0.604 nan 8.240 nan 0.000 0.538 291 A N 1.138 123.970 122.820 0.020 0.000 1.917 291 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 291 A C 1.847 179.436 177.584 0.008 0.000 1.182 291 A CA 2.090 54.135 52.037 0.013 0.000 0.633 291 A CB -1.216 17.791 19.000 0.011 0.000 0.819 291 A HN 0.983 nan 8.150 nan 0.000 0.448 292 D N -2.834 117.570 120.400 0.007 0.000 2.328 292 D HA 0.326 4.966 4.640 -0.000 0.000 0.221 292 D C 1.101 177.402 176.300 0.002 0.000 1.072 292 D CA 0.943 54.945 54.000 0.003 0.000 0.850 292 D CB -0.346 40.455 40.800 0.002 0.000 0.922 292 D HN 0.816 nan 8.370 nan 0.000 0.516 293 G N 0.206 109.009 108.800 0.004 0.000 2.217 293 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.246 293 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.246 293 G C 0.538 175.437 174.900 -0.000 0.000 0.990 293 G CA 0.346 45.448 45.100 0.003 0.000 0.627 293 G HN 0.769 nan 8.290 nan 0.000 0.522 294 T N -0.704 113.849 114.554 -0.002 0.000 2.913 294 T HA 0.591 4.941 4.350 -0.000 0.000 0.297 294 T C 0.287 174.980 174.700 -0.012 0.000 1.029 294 T CA -0.152 61.942 62.100 -0.009 0.000 1.104 294 T CB 2.493 71.355 68.868 -0.011 0.000 0.964 294 T HN 0.782 nan 8.240 nan 0.000 0.532 295 V N 3.345 123.246 119.914 -0.022 0.000 2.432 295 V HA 0.411 4.531 4.120 -0.000 0.000 0.275 295 V C 0.149 176.205 176.094 -0.063 0.000 1.043 295 V CA -0.656 61.624 62.300 -0.033 0.000 0.925 295 V CB 1.297 33.101 31.823 -0.032 0.000 0.985 295 V HN 0.858 nan 8.190 nan 0.000 0.466 296 V N 5.746 125.602 119.914 -0.096 0.000 2.513 296 V HA 0.478 4.598 4.120 -0.000 0.000 0.299 296 V C -0.127 175.774 176.094 -0.321 0.000 1.035 296 V CA -0.612 61.571 62.300 -0.195 0.000 0.889 296 V CB 2.160 33.858 31.823 -0.209 0.000 0.988 296 V HN 0.591 nan 8.190 nan 0.000 0.440 297 V N 4.224 123.949 119.914 -0.314 0.000 2.427 297 V HA 0.448 4.568 4.120 -0.000 0.000 0.286 297 V C -0.561 175.307 176.094 -0.377 0.000 1.034 297 V CA -0.620 61.513 62.300 -0.279 0.000 0.893 297 V CB 1.430 33.172 31.823 -0.136 0.000 0.982 297 V HN 0.939 nan 8.190 nan 0.000 0.452 298 H N 2.444 121.517 119.070 0.005 0.000 2.457 298 H HA 0.624 5.180 4.556 -0.000 0.000 0.335 298 H C -0.389 174.950 175.328 0.018 0.000 1.115 298 H CA -0.526 55.535 56.048 0.022 0.000 1.219 298 H CB 1.638 31.430 29.762 0.049 0.000 1.471 298 H HN 0.691 nan 8.280 nan 0.000 0.491 299 E N 3.026 123.310 120.200 0.139 0.000 2.244 299 E HA 0.416 4.766 4.350 -0.000 0.000 0.260 299 E C -1.667 174.987 176.600 0.090 0.000 0.884 299 E CA -0.734 55.716 56.400 0.083 0.000 0.777 299 E CB 1.206 30.929 29.700 0.039 0.000 1.197 299 E HN 0.352 nan 8.360 nan 0.000 0.416 300 V N 3.911 123.880 119.914 0.092 0.000 2.407 300 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 300 V C 0.745 176.885 176.094 0.077 0.000 1.018 300 V CA -0.571 61.784 62.300 0.092 0.000 0.842 300 V CB 1.483 33.379 31.823 0.121 0.000 0.996 300 V HN 0.789 nan 8.190 nan 0.000 0.426 301 G N 3.360 112.197 108.800 0.062 0.000 2.554 301 G HA2 0.389 4.349 3.960 -0.000 0.000 0.238 301 G HA3 0.389 4.349 3.960 -0.000 0.000 0.238 301 G C -0.436 174.505 174.900 0.068 0.000 1.259 301 G CA -0.152 44.980 45.100 0.053 0.000 0.843 301 G HN 0.557 nan 8.290 nan 0.000 0.582 302 V N 4.350 124.302 119.914 0.063 0.000 2.347 302 V HA 0.225 4.345 4.120 -0.000 0.000 0.280 302 V C -1.731 174.411 176.094 0.081 0.000 1.021 302 V CA -1.225 61.124 62.300 0.081 0.000 0.847 302 V CB 1.590 33.456 31.823 0.073 0.000 0.990 302 V HN 0.610 nan 8.190 nan 0.000 0.444 303 P HA 0.019 nan 4.420 nan 0.000 0.265 303 P C -0.322 177.025 177.300 0.079 0.000 1.187 303 P CA 0.074 63.219 63.100 0.075 0.000 0.766 303 P CB 0.358 32.103 31.700 0.076 0.000 0.820 304 V N 4.559 124.516 119.914 0.071 0.000 2.521 304 V HA 0.051 4.171 4.120 -0.000 0.000 0.286 304 V C 0.411 176.542 176.094 0.063 0.000 1.034 304 V CA 0.267 62.610 62.300 0.071 0.000 1.045 304 V CB 0.883 32.742 31.823 0.060 0.000 0.974 304 V HN 0.215 nan 8.190 nan 0.000 0.480 305 V N 5.075 125.026 119.914 0.063 0.000 2.407 305 V HA 0.610 4.730 4.120 -0.000 0.000 0.291 305 V C 0.484 176.600 176.094 0.036 0.000 1.018 305 V CA -0.758 61.573 62.300 0.052 0.000 0.842 305 V CB 1.524 33.381 31.823 0.057 0.000 0.996 305 V HN 0.999 nan 8.190 nan 0.000 0.426 306 A N 3.765 126.603 122.820 0.029 0.000 2.462 306 A HA 0.586 4.906 4.320 -0.000 0.000 0.243 306 A C 1.661 179.252 177.584 0.012 0.000 1.076 306 A CA 0.456 52.503 52.037 0.016 0.000 0.773 306 A CB 0.459 19.468 19.000 0.016 0.000 1.010 306 A HN 1.450 nan 8.150 nan 0.000 0.493 307 A N 1.812 124.631 122.820 -0.001 0.000 1.958 307 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 307 A C 1.620 179.207 177.584 0.005 0.000 1.178 307 A CA 2.318 54.353 52.037 -0.003 0.000 0.642 307 A CB -0.632 18.359 19.000 -0.014 0.000 0.816 307 A HN 0.895 nan 8.150 nan 0.000 0.453 308 E N 0.148 120.353 120.200 0.007 0.000 2.268 308 E HA -0.095 4.255 4.350 -0.000 0.000 0.195 308 E C 1.622 178.231 176.600 0.015 0.000 0.995 308 E CA 1.328 57.734 56.400 0.010 0.000 0.836 308 E CB -0.195 29.512 29.700 0.010 0.000 0.763 308 E HN 0.673 nan 8.360 nan 0.000 0.491 309 K N 0.110 120.522 120.400 0.019 0.000 2.426 309 K HA 0.113 4.433 4.320 -0.000 0.000 0.193 309 K C -0.108 176.506 176.600 0.024 0.000 1.028 309 K CA 0.010 56.313 56.287 0.026 0.000 1.047 309 K CB 0.488 33.007 32.500 0.032 0.000 0.821 309 K HN 0.073 nan 8.250 nan 0.000 0.513 310 I N 1.938 122.519 120.570 0.019 0.000 2.322 310 I HA -0.015 4.155 4.170 -0.000 0.000 0.292 310 I C 1.434 177.558 176.117 0.012 0.000 1.060 310 I CA 0.144 61.453 61.300 0.016 0.000 1.309 310 I CB 1.076 39.087 38.000 0.019 0.000 1.415 310 I HN -0.156 nan 8.210 nan 0.000 0.492 311 V N 4.909 124.826 119.914 0.005 0.000 2.407 311 V HA -0.072 4.048 4.120 -0.000 0.000 0.245 311 V C 0.524 176.623 176.094 0.009 0.000 1.041 311 V CA 1.412 63.713 62.300 0.002 0.000 1.040 311 V CB -0.419 31.399 31.823 -0.010 0.000 0.671 311 V HN 0.919 nan 8.190 nan 0.000 0.455 312 D N -2.283 118.127 120.400 0.016 0.000 2.738 312 D HA 0.101 4.740 4.640 -0.000 0.000 0.229 312 D C 0.284 176.621 176.300 0.061 0.000 1.200 312 D CA 0.362 54.390 54.000 0.048 0.000 0.746 312 D CB 0.948 41.790 40.800 0.069 0.000 1.597 312 D HN 0.094 nan 8.370 nan 0.000 0.471 313 T N -0.373 114.220 114.554 0.065 0.000 3.086 313 T HA 0.229 4.579 4.350 -0.000 0.000 0.250 313 T C 0.699 175.430 174.700 0.052 0.000 1.074 313 T CA -0.370 61.762 62.100 0.053 0.000 0.988 313 T CB -0.285 68.607 68.868 0.041 0.000 0.988 313 T HN 0.320 nan 8.240 nan 0.000 0.530 314 N N 1.925 120.679 118.700 0.090 0.000 2.407 314 N HA 0.267 5.007 4.740 -0.000 0.000 0.250 314 N C 1.457 176.907 175.510 -0.101 0.000 1.236 314 N CA 1.581 54.631 53.050 0.000 0.000 0.879 314 N CB 0.587 39.116 38.487 0.070 0.000 1.088 314 N HN 0.574 nan 8.380 nan 0.000 0.450 315 G N 0.578 109.173 108.800 -0.342 0.000 2.205 315 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.261 315 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.261 315 G C 1.070 175.928 174.900 -0.070 0.000 0.980 315 G CA 0.801 45.708 45.100 -0.322 0.000 0.632 315 G HN 0.764 nan 8.290 nan 0.000 0.533 316 A N 0.357 123.164 122.820 -0.022 0.000 1.877 316 A HA 0.305 4.625 4.320 -0.000 0.000 0.216 316 A C 2.792 180.396 177.584 0.032 0.000 1.186 316 A CA 2.377 54.423 52.037 0.015 0.000 0.620 316 A CB -1.038 17.976 19.000 0.023 0.000 0.822 316 A HN 1.607 nan 8.150 nan 0.000 0.443 317 G N -0.381 108.419 108.800 -0.000 0.000 2.422 317 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 317 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 317 G C 1.063 175.976 174.900 0.021 0.000 1.140 317 G CA 1.125 46.233 45.100 0.015 0.000 0.775 317 G HN 0.458 nan 8.290 nan 0.000 0.545 318 D N 1.241 121.628 120.400 -0.021 0.000 2.117 318 D HA -0.055 4.585 4.640 -0.000 0.000 0.197 318 D C 2.762 179.031 176.300 -0.050 0.000 0.987 318 D CA 1.267 55.248 54.000 -0.032 0.000 0.829 318 D CB -0.393 40.381 40.800 -0.042 0.000 0.961 318 D HN 0.325 nan 8.370 nan 0.000 0.460 319 A N 0.274 123.079 122.820 -0.025 0.000 1.929 319 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 319 A C 2.074 179.633 177.584 -0.042 0.000 1.176 319 A CA 0.688 52.697 52.037 -0.046 0.000 0.628 319 A CB -0.927 18.047 19.000 -0.043 0.000 0.816 319 A HN 0.226 nan 8.150 nan 0.000 0.444 320 F N 0.880 120.765 119.950 -0.109 0.000 2.069 320 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 320 F C 2.220 177.916 175.800 -0.173 0.000 1.113 320 F CA 2.266 60.211 58.000 -0.090 0.000 1.214 320 F CB -0.316 38.642 39.000 -0.070 0.000 0.978 320 F HN 0.036 nan 8.300 nan 0.000 0.474 321 V N 0.515 120.306 119.914 -0.205 0.000 2.343 321 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 321 V C 2.745 178.562 176.094 -0.461 0.000 1.051 321 V CA 1.966 63.883 62.300 -0.639 0.000 1.036 321 V CB -1.683 29.653 31.823 -0.812 0.000 0.654 321 V HN 0.587 nan 8.190 nan 0.000 0.451 322 G N -0.044 108.578 108.800 -0.297 0.000 2.418 322 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 322 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 322 G C 1.620 176.455 174.900 -0.109 0.000 1.158 322 G CA 0.944 45.930 45.100 -0.191 0.000 0.771 322 G HN 0.586 nan 8.290 nan 0.000 0.545 323 G N 0.224 108.942 108.800 -0.135 0.000 2.402 323 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 323 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 323 G C 1.608 176.474 174.900 -0.057 0.000 1.162 323 G CA 0.782 45.846 45.100 -0.061 0.000 0.777 323 G HN 0.379 nan 8.290 nan 0.000 0.539 324 F N 1.045 120.776 119.950 -0.366 0.000 2.069 324 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 324 F C 2.508 178.231 175.800 -0.129 0.000 1.113 324 F CA 1.311 59.139 58.000 -0.287 0.000 1.214 324 F CB -0.046 38.726 39.000 -0.380 0.000 0.978 324 F HN 0.024 nan 8.300 nan 0.000 0.474 325 L N -0.923 120.400 121.223 0.166 0.000 2.141 325 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 325 L C 2.316 179.213 176.870 0.045 0.000 1.094 325 L CA 1.261 56.176 54.840 0.125 0.000 0.763 325 L CB -1.031 41.032 42.059 0.007 0.000 0.908 325 L HN 0.313 nan 8.230 nan 0.000 0.437 326 Y N 1.191 121.453 120.300 -0.063 0.000 2.097 326 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 326 Y C 2.517 178.368 175.900 -0.082 0.000 1.152 326 Y CA 1.406 59.469 58.100 -0.061 0.000 1.136 326 Y CB -0.417 38.011 38.460 -0.054 0.000 0.975 326 Y HN 0.071 nan 8.280 nan 0.000 0.498 327 A N 0.304 122.938 122.820 -0.310 0.000 1.933 327 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 327 A C 2.223 179.582 177.584 -0.375 0.000 1.175 327 A CA 1.753 53.532 52.037 -0.429 0.000 0.628 327 A CB -1.283 17.535 19.000 -0.304 0.000 0.814 327 A HN 0.586 nan 8.150 nan 0.000 0.444 328 L N 0.819 121.869 121.223 -0.288 0.000 2.083 328 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 328 L C 2.714 179.496 176.870 -0.146 0.000 1.083 328 L CA 2.670 57.404 54.840 -0.176 0.000 0.752 328 L CB -0.579 41.477 42.059 -0.005 0.000 0.899 328 L HN 0.506 nan 8.230 nan 0.000 0.433 329 S N -1.684 113.917 115.700 -0.166 0.000 2.447 329 S HA -0.157 4.313 4.470 -0.000 0.000 0.233 329 S C 1.625 176.106 174.600 -0.197 0.000 1.006 329 S CA 0.748 58.861 58.200 -0.145 0.000 0.957 329 S CB -0.466 62.668 63.200 -0.110 0.000 0.773 329 S HN 0.594 nan 8.310 nan 0.000 0.507 330 Q N 0.633 120.246 119.800 -0.312 0.000 2.320 330 Q HA 0.298 4.638 4.340 -0.000 0.000 0.201 330 Q C 1.351 177.238 176.000 -0.188 0.000 0.910 330 Q CA 0.573 56.208 55.803 -0.280 0.000 0.946 330 Q CB -0.109 28.384 28.738 -0.408 0.000 1.062 330 Q HN 0.795 nan 8.270 nan 0.000 0.503 331 G N 1.292 109.997 108.800 -0.159 0.000 2.143 331 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 331 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 331 G C 0.102 174.926 174.900 -0.126 0.000 0.991 331 G CA 0.029 45.060 45.100 -0.114 0.000 0.689 331 G HN 0.105 nan 8.290 nan 0.000 0.522 332 K N 1.133 121.430 120.400 -0.171 0.000 2.180 332 K HA 0.444 4.763 4.320 -0.000 0.000 0.251 332 K C 1.392 177.893 176.600 -0.166 0.000 1.014 332 K CA 0.437 56.622 56.287 -0.170 0.000 0.913 332 K CB 0.214 32.587 32.500 -0.212 0.000 1.008 332 K HN 0.573 nan 8.250 nan 0.000 0.490 333 T N -2.881 111.588 114.554 -0.143 0.000 2.766 333 T HA 0.077 4.427 4.350 -0.000 0.000 0.295 333 T C 1.666 176.248 174.700 -0.197 0.000 1.024 333 T CA -0.730 61.291 62.100 -0.132 0.000 1.018 333 T CB 0.532 69.344 68.868 -0.092 0.000 1.002 333 T HN 0.137 nan 8.240 nan 0.000 0.532 334 V N 1.793 121.591 119.914 -0.193 0.000 2.282 334 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 334 V C 2.882 178.832 176.094 -0.240 0.000 1.057 334 V CA 2.022 64.178 62.300 -0.240 0.000 1.032 334 V CB -0.826 30.785 31.823 -0.353 0.000 0.645 334 V HN 0.895 nan 8.190 nan 0.000 0.447 335 K N -0.496 119.775 120.400 -0.215 0.000 2.097 335 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 335 K C 2.258 178.799 176.600 -0.098 0.000 1.049 335 K CA 1.578 57.800 56.287 -0.108 0.000 0.933 335 K CB -0.221 32.251 32.500 -0.048 0.000 0.717 335 K HN 0.567 nan 8.250 nan 0.000 0.442 336 Q N -0.016 119.703 119.800 -0.135 0.000 2.167 336 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 336 Q C 2.313 178.183 176.000 -0.217 0.000 0.970 336 Q CA 1.204 56.924 55.803 -0.138 0.000 0.855 336 Q CB -0.129 28.528 28.738 -0.135 0.000 0.911 336 Q HN 0.363 nan 8.270 nan 0.000 0.438 337 C N 0.199 119.267 119.300 -0.386 0.000 2.446 337 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 337 C C 2.473 177.160 174.990 -0.506 0.000 1.275 337 C CA 0.323 58.920 59.018 -0.701 0.000 1.727 337 C CB -0.744 26.063 27.740 -1.555 0.000 2.010 337 C HN 0.483 nan 8.230 nan 0.000 0.486 338 I N 0.479 120.935 120.570 -0.191 0.000 2.226 338 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 338 I C 2.565 178.724 176.117 0.070 0.000 1.100 338 I CA 1.674 63.069 61.300 0.159 0.000 1.374 338 I CB -0.365 37.829 38.000 0.322 0.000 1.057 338 I HN 0.341 nan 8.210 nan 0.000 0.413 339 M N -0.586 119.022 119.600 0.014 0.000 2.175 339 M HA -0.242 4.238 4.480 -0.000 0.000 0.264 339 M C 2.624 178.934 176.300 0.017 0.000 1.063 339 M CA 1.396 56.719 55.300 0.038 0.000 1.119 339 M CB -0.505 32.105 32.600 0.016 0.000 1.377 339 M HN 0.490 nan 8.290 nan 0.000 0.415 340 C N 0.520 119.791 119.300 -0.048 0.000 2.446 340 C HA -0.032 4.428 4.460 -0.000 0.000 0.277 340 C C 2.823 177.777 174.990 -0.061 0.000 1.275 340 C CA 1.312 60.322 59.018 -0.013 0.000 1.727 340 C CB -1.467 26.265 27.740 -0.012 0.000 2.010 340 C HN 0.678 nan 8.230 nan 0.000 0.486 341 G N 0.253 108.891 108.800 -0.269 0.000 2.440 341 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 341 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 341 G C 1.477 176.326 174.900 -0.084 0.000 1.154 341 G CA 1.251 46.016 45.100 -0.558 0.000 0.767 341 G HN 0.788 nan 8.290 nan 0.000 0.552 342 N N 0.751 119.535 118.700 0.140 0.000 2.166 342 N HA -0.039 4.701 4.740 -0.000 0.000 0.186 342 N C 2.553 178.161 175.510 0.164 0.000 1.019 342 N CA 0.775 53.982 53.050 0.263 0.000 0.856 342 N CB -0.149 38.478 38.487 0.233 0.000 0.993 342 N HN 0.371 nan 8.380 nan 0.000 0.426 343 A N 0.538 123.442 122.820 0.142 0.000 1.902 343 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 343 A C 2.419 180.101 177.584 0.164 0.000 1.181 343 A CA 1.010 53.172 52.037 0.207 0.000 0.623 343 A CB -0.836 18.331 19.000 0.278 0.000 0.818 343 A HN 0.448 nan 8.150 nan 0.000 0.443 344 C N -1.129 118.194 119.300 0.038 0.000 2.466 344 C HA 0.143 4.602 4.460 -0.000 0.000 0.278 344 C C 3.320 178.225 174.990 -0.142 0.000 1.288 344 C CA 0.585 59.466 59.018 -0.228 0.000 1.722 344 C CB -1.284 26.338 27.740 -0.198 0.000 2.017 344 C HN 0.703 nan 8.230 nan 0.000 0.488 345 A N 0.188 123.010 122.820 0.003 0.000 1.908 345 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 345 A C 2.096 179.693 177.584 0.022 0.000 1.181 345 A CA 1.681 53.745 52.037 0.046 0.000 0.627 345 A CB -0.630 18.466 19.000 0.159 0.000 0.818 345 A HN 0.764 nan 8.150 nan 0.000 0.445 346 Q N -1.080 118.752 119.800 0.053 0.000 2.172 346 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 346 Q C 1.761 177.782 176.000 0.035 0.000 0.964 346 Q CA 1.347 57.184 55.803 0.058 0.000 0.855 346 Q CB -0.210 28.585 28.738 0.096 0.000 0.918 346 Q HN 0.843 nan 8.270 nan 0.000 0.444 347 D N 0.070 120.475 120.400 0.008 0.000 2.097 347 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 347 D C 1.774 178.038 176.300 -0.060 0.000 0.989 347 D CA 1.109 55.120 54.000 0.018 0.000 0.827 347 D CB 0.143 40.828 40.800 -0.191 0.000 0.966 347 D HN -0.027 nan 8.370 nan 0.000 0.456 348 V N 1.333 121.154 119.914 -0.155 0.000 2.427 348 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 348 V C 2.323 178.202 176.094 -0.358 0.000 1.051 348 V CA 1.513 63.630 62.300 -0.306 0.000 1.048 348 V CB -0.671 31.084 31.823 -0.113 0.000 0.666 348 V HN 0.477 nan 8.190 nan 0.000 0.456 349 I N -2.096 118.384 120.570 -0.150 0.000 3.291 349 I HA -0.083 4.087 4.170 -0.000 0.000 0.279 349 I C 1.728 177.790 176.117 -0.091 0.000 1.294 349 I CA 1.234 62.483 61.300 -0.085 0.000 1.428 349 I CB -0.374 37.620 38.000 -0.010 0.000 1.070 349 I HN 0.294 nan 8.210 nan 0.000 0.478 350 Q N 1.234 120.966 119.800 -0.113 0.000 2.247 350 Q HA 0.192 4.532 4.340 -0.000 0.000 0.204 350 Q C -0.170 175.852 176.000 0.037 0.000 0.872 350 Q CA -0.075 55.723 55.803 -0.009 0.000 0.951 350 Q CB 0.319 29.093 28.738 0.059 0.000 1.099 350 Q HN 0.754 nan 8.270 nan 0.000 0.501 351 H N -3.006 116.071 119.070 0.012 0.000 2.966 351 H HA 0.402 4.958 4.556 -0.000 0.000 0.330 351 H C -0.246 175.064 175.328 -0.030 0.000 1.292 351 H CA -1.174 54.870 56.048 -0.006 0.000 1.127 351 H CB 0.784 30.544 29.762 -0.003 0.000 1.863 351 H HN -0.109 nan 8.280 nan 0.000 0.543 352 V N -0.656 119.326 119.914 0.112 0.000 2.655 352 V HA 0.565 4.685 4.120 -0.000 0.000 0.300 352 V C 0.850 176.931 176.094 -0.022 0.000 1.044 352 V CA 0.750 63.042 62.300 -0.013 0.000 1.095 352 V CB -0.056 31.750 31.823 -0.029 0.000 0.952 352 V HN 1.438 nan 8.190 nan 0.000 0.485 353 G N 2.969 111.593 108.800 -0.293 0.000 2.587 353 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 353 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 353 G C -0.777 173.938 174.900 -0.309 0.000 1.236 353 G CA -0.264 44.606 45.100 -0.385 0.000 0.820 353 G HN 1.043 nan 8.290 nan 0.000 0.645 354 F N 0.713 120.672 119.950 0.015 0.000 2.668 354 F HA 0.427 4.953 4.527 -0.000 0.000 0.301 354 F C 1.259 177.055 175.800 -0.006 0.000 1.106 354 F CA -0.102 57.888 58.000 -0.016 0.000 1.289 354 F CB 0.997 39.990 39.000 -0.012 0.000 1.006 354 F HN 0.383 nan 8.300 nan 0.000 0.535 355 S N 0.832 116.629 115.700 0.163 0.000 2.621 355 S HA 0.560 5.030 4.470 -0.000 0.000 0.302 355 S C -0.175 174.498 174.600 0.120 0.000 1.093 355 S CA -0.684 57.581 58.200 0.108 0.000 1.017 355 S CB 1.856 65.102 63.200 0.077 0.000 1.077 355 S HN 0.058 nan 8.310 nan 0.000 0.517 356 L N 2.447 123.668 121.223 -0.003 0.000 2.461 356 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 356 L C 1.056 177.930 176.870 0.006 0.000 1.197 356 L CA -0.389 54.402 54.840 -0.083 0.000 0.836 356 L CB 0.378 42.302 42.059 -0.226 0.000 1.105 356 L HN 0.808 nan 8.230 nan 0.000 0.477 357 S N 1.640 117.344 115.700 0.006 0.000 2.573 357 S HA -0.036 4.434 4.470 -0.000 0.000 0.277 357 S C 0.857 175.499 174.600 0.071 0.000 1.346 357 S CA -0.423 57.740 58.200 -0.062 0.000 1.034 357 S CB 0.429 63.573 63.200 -0.092 0.000 0.879 357 S HN 0.550 nan 8.310 nan 0.000 0.528 358 F N 2.673 122.593 119.950 -0.050 0.000 2.154 358 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 358 F C 2.564 178.376 175.800 0.020 0.000 1.087 358 F CA 2.203 60.194 58.000 -0.014 0.000 1.274 358 F CB -0.957 38.023 39.000 -0.035 0.000 1.009 358 F HN 0.821 nan 8.300 nan 0.000 0.485 359 T N -1.864 112.731 114.554 0.068 0.000 3.055 359 T HA -0.056 4.293 4.350 -0.000 0.000 0.265 359 T C 1.060 175.746 174.700 -0.023 0.000 1.111 359 T CA -0.045 62.050 62.100 -0.009 0.000 1.118 359 T CB -1.129 67.794 68.868 0.091 0.000 0.909 359 T HN 0.210 nan 8.240 nan 0.000 0.501 360 F N 0.000 119.884 119.950 -0.111 0.000 2.286 360 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 360 F CA 0.000 57.947 58.000 -0.089 0.000 1.383 360 F CB 0.000 38.965 39.000 -0.058 0.000 1.145 360 F HN 0.000 nan 8.300 nan 0.000 0.574