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 2glq_1_A DATA FIRST_RESID 1 DATA SEQUENCE IIPVEEENPD FWNREAAEAL GAAKKLQPAQ TAAKNLIIFL GDGMGVSTVT DATA SEQUENCE AARILKGQKK DKLGPEIPLA MDRFPYVALS KTYNVDKHVP DXGATATAYL DATA SEQUENCE CGVKGNFQTI GLSAAARFNQ cNTTRGNEVI SVMNRAKKAG KSVGVVTTTR DATA SEQUENCE VQHASPAGTY AHTVNRNWYS DADVPASARQ EGcQDIATQL ISNMDIDVIL DATA SEQUENCE GGGRKYMFRM GTPDPEYPDD YSQGGTRLDG KNLVQEWLAK RQGARYVWNR DATA SEQUENCE TELMQASLDP SVTHLMGLFE PGDMKYEIHR DSTLDPSLME MTEAALRLLS DATA SEQUENCE RNPRGFFLFV EGGRIDHGHH ESRAYRALTE TIMFDDAIER AGQLTSEEDT DATA SEQUENCE LSLVTADHSH VFSFGGYPLR GSSIFGLAPG KARDRKAYTV LLYGNGPGYV DATA SEQUENCE LKDGARPDVT ESESGSPEYR QQSAVPLDEE THAGEDVAVF ARGPQAHLVH DATA SEQUENCE GVQEQTFIAH VMAFAAcLEP YTAcDLAPP 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 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.118 176.117 0.001 0.000 1.063 1 I CA 0.000 61.301 61.300 0.001 0.000 1.566 1 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 2 I N 7.559 128.126 120.570 -0.005 0.000 2.297 2 I HA 0.494 4.663 4.170 -0.002 0.000 0.291 2 I C -1.805 174.297 176.117 -0.025 0.000 1.033 2 I CA -1.679 59.616 61.300 -0.007 0.000 1.253 2 I CB 1.723 39.720 38.000 -0.005 0.000 1.396 2 I HN 0.672 nan 8.210 nan 0.000 0.476 3 P HA 0.065 nan 4.420 nan 0.000 0.271 3 P C 0.991 178.224 177.300 -0.113 0.000 1.226 3 P CA -0.174 62.878 63.100 -0.081 0.000 0.765 3 P CB 1.448 33.081 31.700 -0.111 0.000 0.835 4 V N 2.863 122.721 119.914 -0.094 0.000 2.332 4 V HA -0.292 3.827 4.120 -0.002 0.000 0.248 4 V C 2.985 179.000 176.094 -0.132 0.000 1.055 4 V CA 2.784 65.034 62.300 -0.084 0.000 1.038 4 V CB -1.696 30.095 31.823 -0.055 0.000 0.651 4 V HN 0.707 nan 8.190 nan 0.000 0.450 5 E N -0.148 119.928 120.200 -0.205 0.000 2.153 5 E HA -0.296 4.053 4.350 -0.002 0.000 0.194 5 E C 1.865 178.132 176.600 -0.555 0.000 0.988 5 E CA 1.500 57.725 56.400 -0.292 0.000 0.811 5 E CB -0.613 28.912 29.700 -0.292 0.000 0.746 5 E HN 0.829 nan 8.360 nan 0.000 0.466 6 E N -0.245 119.561 120.200 -0.656 0.000 2.482 6 E HA -0.052 4.297 4.350 -0.002 0.000 0.196 6 E C 1.723 178.343 176.600 0.034 0.000 1.047 6 E CA 0.573 56.641 56.400 -0.552 0.000 0.869 6 E CB 0.100 29.612 29.700 -0.312 0.000 0.836 6 E HN 0.692 nan 8.360 nan 0.000 0.520 7 E N 0.881 121.071 120.200 -0.016 0.000 2.358 7 E HA -0.048 4.301 4.350 -0.002 0.000 0.195 7 E C 0.507 177.165 176.600 0.096 0.000 1.010 7 E CA 0.090 56.525 56.400 0.058 0.000 0.856 7 E CB -0.038 29.670 29.700 0.013 0.000 0.795 7 E HN 0.147 nan 8.360 nan 0.000 0.504 8 N N 1.136 119.890 118.700 0.089 0.000 2.422 8 N HA 0.050 4.789 4.740 -0.002 0.000 0.266 8 N C -1.978 173.666 175.510 0.224 0.000 1.007 8 N CA -1.941 51.178 53.050 0.116 0.000 0.941 8 N CB 1.229 39.760 38.487 0.074 0.000 1.115 8 N HN -0.259 nan 8.380 nan 0.000 0.492 9 P HA -0.145 nan 4.420 nan 0.000 0.218 9 P C 0.308 177.765 177.300 0.261 0.000 1.148 9 P CA 1.062 64.339 63.100 0.295 0.000 0.822 9 P CB 0.238 32.041 31.700 0.172 0.000 0.784 10 D N -1.189 119.308 120.400 0.161 0.000 2.158 10 D HA -0.203 4.436 4.640 -0.002 0.000 0.197 10 D C 1.683 178.029 176.300 0.076 0.000 0.995 10 D CA 0.921 54.982 54.000 0.102 0.000 0.846 10 D CB -1.019 39.821 40.800 0.067 0.000 0.941 10 D HN 0.200 nan 8.370 nan 0.000 0.456 11 F N -0.245 119.640 119.950 -0.108 0.000 2.095 11 F HA -0.197 4.329 4.527 -0.002 0.000 0.298 11 F C 1.928 177.503 175.800 -0.375 0.000 1.104 11 F CA 1.559 59.373 58.000 -0.311 0.000 1.232 11 F CB -0.365 38.334 39.000 -0.502 0.000 0.987 11 F HN -0.034 nan 8.300 nan 0.000 0.475 12 W N 0.469 121.900 121.300 0.220 0.000 2.418 12 W HA -0.091 4.568 4.660 -0.002 0.000 0.292 12 W C 2.300 178.818 176.519 -0.001 0.000 1.213 12 W CA 0.698 58.107 57.345 0.107 0.000 1.283 12 W CB -0.698 28.857 29.460 0.159 0.000 1.119 12 W HN -0.082 nan 8.180 nan 0.000 0.542 13 N N 0.405 119.226 118.700 0.202 0.000 2.188 13 N HA -0.139 4.601 4.740 -0.002 0.000 0.184 13 N C 1.685 177.203 175.510 0.013 0.000 1.018 13 N CA 1.235 54.347 53.050 0.103 0.000 0.858 13 N CB -0.638 37.904 38.487 0.092 0.000 0.989 13 N HN 0.193 nan 8.380 nan 0.000 0.426 14 R N 1.155 121.621 120.500 -0.056 0.000 2.073 14 R HA -0.095 4.244 4.340 -0.002 0.000 0.234 14 R C 1.952 178.164 176.300 -0.147 0.000 1.134 14 R CA 1.187 57.220 56.100 -0.112 0.000 0.952 14 R CB -0.060 30.137 30.300 -0.171 0.000 0.850 14 R HN 0.134 nan 8.270 nan 0.000 0.433 15 E N 0.502 120.564 120.200 -0.231 0.000 2.085 15 E HA -0.187 4.162 4.350 -0.002 0.000 0.194 15 E C 1.635 178.193 176.600 -0.070 0.000 0.994 15 E CA 1.638 57.910 56.400 -0.214 0.000 0.801 15 E CB -0.109 29.404 29.700 -0.312 0.000 0.743 15 E HN 0.448 nan 8.360 nan 0.000 0.453 16 A N 1.098 123.916 122.820 -0.002 0.000 1.929 16 A HA 0.033 4.352 4.320 -0.002 0.000 0.216 16 A C 2.438 180.027 177.584 0.008 0.000 1.176 16 A CA 1.862 53.918 52.037 0.033 0.000 0.628 16 A CB -0.632 18.413 19.000 0.075 0.000 0.816 16 A HN 0.355 nan 8.150 nan 0.000 0.444 17 A N -0.574 122.242 122.820 -0.005 0.000 1.933 17 A HA 0.042 4.361 4.320 -0.002 0.000 0.218 17 A C 2.146 179.717 177.584 -0.021 0.000 1.175 17 A CA 2.378 54.408 52.037 -0.011 0.000 0.628 17 A CB -1.011 17.979 19.000 -0.015 0.000 0.814 17 A HN 0.730 nan 8.150 nan 0.000 0.444 18 E N -0.377 119.799 120.200 -0.039 0.000 2.106 18 E HA 0.079 4.428 4.350 -0.002 0.000 0.192 18 E C 2.265 178.846 176.600 -0.031 0.000 0.984 18 E CA 1.817 58.190 56.400 -0.044 0.000 0.806 18 E CB -1.089 28.570 29.700 -0.069 0.000 0.750 18 E HN 0.976 nan 8.360 nan 0.000 0.458 19 A N 0.294 123.100 122.820 -0.023 0.000 1.898 19 A HA 0.078 4.397 4.320 -0.002 0.000 0.216 19 A C 2.504 180.086 177.584 -0.003 0.000 1.181 19 A CA 1.407 53.439 52.037 -0.009 0.000 0.620 19 A CB -0.356 18.648 19.000 0.007 0.000 0.819 19 A HN 0.450 nan 8.150 nan 0.000 0.442 20 L N -0.722 120.501 121.223 0.001 0.000 2.046 20 L HA -0.116 4.223 4.340 -0.002 0.000 0.208 20 L C 2.826 179.696 176.870 -0.000 0.000 1.077 20 L CA 1.042 55.884 54.840 0.004 0.000 0.747 20 L CB -0.711 41.352 42.059 0.007 0.000 0.896 20 L HN 0.495 nan 8.230 nan 0.000 0.432 21 G N -0.543 108.253 108.800 -0.007 0.000 2.418 21 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.217 21 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.217 21 G C 1.733 176.627 174.900 -0.010 0.000 1.158 21 G CA 0.800 45.895 45.100 -0.009 0.000 0.771 21 G HN 0.473 nan 8.290 nan 0.000 0.545 22 A N 0.975 123.786 122.820 -0.015 0.000 1.929 22 A HA 0.390 4.709 4.320 -0.002 0.000 0.216 22 A C 2.774 180.347 177.584 -0.018 0.000 1.176 22 A CA 1.945 53.970 52.037 -0.021 0.000 0.628 22 A CB -0.620 18.363 19.000 -0.028 0.000 0.816 22 A HN 0.711 nan 8.150 nan 0.000 0.444 23 A N 0.035 122.849 122.820 -0.010 0.000 1.933 23 A HA -0.139 4.180 4.320 -0.002 0.000 0.218 23 A C 2.073 179.665 177.584 0.013 0.000 1.175 23 A CA 1.793 53.829 52.037 -0.002 0.000 0.628 23 A CB -0.376 18.629 19.000 0.009 0.000 0.814 23 A HN 0.523 nan 8.150 nan 0.000 0.444 24 K N -0.225 120.182 120.400 0.012 0.000 2.217 24 K HA -0.046 4.273 4.320 -0.002 0.000 0.202 24 K C 1.805 178.417 176.600 0.020 0.000 1.051 24 K CA 1.260 57.558 56.287 0.018 0.000 0.952 24 K CB -0.063 32.444 32.500 0.012 0.000 0.736 24 K HN 0.398 nan 8.250 nan 0.000 0.453 25 K N 1.159 121.566 120.400 0.011 0.000 2.366 25 K HA 0.032 4.351 4.320 -0.002 0.000 0.198 25 K C 0.838 177.453 176.600 0.025 0.000 1.044 25 K CA 0.209 56.504 56.287 0.012 0.000 0.973 25 K CB -0.117 32.383 32.500 -0.000 0.000 0.767 25 K HN 0.209 nan 8.250 nan 0.000 0.475 26 L N 0.261 121.503 121.223 0.032 0.000 2.397 26 L HA 0.221 4.560 4.340 -0.002 0.000 0.271 26 L C -0.885 176.052 176.870 0.113 0.000 1.148 26 L CA -0.148 54.728 54.840 0.061 0.000 0.825 26 L CB 0.746 42.818 42.059 0.022 0.000 1.117 26 L HN 0.062 nan 8.230 nan 0.000 0.456 27 Q N 3.737 123.616 119.800 0.132 0.000 2.345 27 Q HA 0.543 4.882 4.340 -0.002 0.000 0.275 27 Q C -2.450 173.648 176.000 0.163 0.000 1.063 27 Q CA -1.766 54.116 55.803 0.132 0.000 0.819 27 Q CB 2.610 31.395 28.738 0.079 0.000 1.356 27 Q HN 0.648 nan 8.270 nan 0.000 0.418 28 P HA 0.207 nan 4.420 nan 0.000 0.271 28 P C -1.208 176.122 177.300 0.051 0.000 1.216 28 P CA -0.188 63.047 63.100 0.225 0.000 0.776 28 P CB 0.790 32.820 31.700 0.550 0.000 0.881 29 A N 1.992 124.752 122.820 -0.100 0.000 2.340 29 A HA 0.486 4.805 4.320 -0.002 0.000 0.268 29 A C 1.211 178.787 177.584 -0.012 0.000 1.100 29 A CA 0.146 52.149 52.037 -0.056 0.000 0.803 29 A CB 0.088 19.033 19.000 -0.093 0.000 1.043 29 A HN 0.626 nan 8.150 nan 0.000 0.488 30 Q N 0.259 120.065 119.800 0.009 0.000 2.319 30 Q HA 0.320 4.659 4.340 -0.002 0.000 0.202 30 Q C 0.788 176.786 176.000 -0.002 0.000 0.896 30 Q CA 0.994 56.811 55.803 0.024 0.000 0.942 30 Q CB -0.568 28.186 28.738 0.027 0.000 1.083 30 Q HN 1.145 nan 8.270 nan 0.000 0.510 31 T N -3.063 111.476 114.554 -0.026 0.000 2.945 31 T HA 0.817 5.166 4.350 -0.002 0.000 0.286 31 T C 0.409 175.068 174.700 -0.068 0.000 1.025 31 T CA -0.250 61.825 62.100 -0.042 0.000 1.039 31 T CB 1.628 70.474 68.868 -0.037 0.000 1.068 31 T HN 0.573 nan 8.240 nan 0.000 0.497 32 A N 1.066 123.835 122.820 -0.084 0.000 2.296 32 A HA 0.704 5.023 4.320 -0.002 0.000 0.264 32 A C 0.700 178.230 177.584 -0.091 0.000 1.097 32 A CA -0.483 51.487 52.037 -0.112 0.000 0.811 32 A CB -0.502 18.427 19.000 -0.119 0.000 1.072 32 A HN 1.434 nan 8.150 nan 0.000 0.495 33 A N 0.184 122.947 122.820 -0.095 0.000 2.320 33 A HA 0.402 4.721 4.320 -0.002 0.000 0.287 33 A C 1.134 178.659 177.584 -0.099 0.000 1.181 33 A CA -0.134 51.849 52.037 -0.091 0.000 0.831 33 A CB 0.262 19.215 19.000 -0.078 0.000 1.102 33 A HN 0.964 nan 8.150 nan 0.000 0.513 34 K N 2.112 122.445 120.400 -0.112 0.000 2.062 34 K HA -0.066 4.254 4.320 -0.002 0.000 0.205 34 K C -0.056 176.417 176.600 -0.213 0.000 1.051 34 K CA 1.072 57.283 56.287 -0.126 0.000 0.941 34 K CB -0.043 32.390 32.500 -0.112 0.000 0.719 34 K HN 0.808 nan 8.250 nan 0.000 0.440 35 N N 0.293 118.803 118.700 -0.317 0.000 2.292 35 N HA 0.346 5.085 4.740 -0.002 0.000 0.303 35 N C -1.195 174.088 175.510 -0.378 0.000 1.140 35 N CA -0.493 52.202 53.050 -0.591 0.000 0.788 35 N CB 1.974 39.806 38.487 -1.093 0.000 1.361 35 N HN -0.015 nan 8.380 nan 0.000 0.489 36 L N 1.595 122.598 121.223 -0.366 0.000 2.385 36 L HA 0.627 4.966 4.340 -0.002 0.000 0.273 36 L C -0.692 175.968 176.870 -0.349 0.000 0.990 36 L CA -0.613 54.086 54.840 -0.236 0.000 0.821 36 L CB 1.938 43.950 42.059 -0.079 0.000 1.279 36 L HN 0.347 nan 8.230 nan 0.000 0.412 37 I N 4.031 124.427 120.570 -0.290 0.000 2.533 37 I HA 0.474 4.643 4.170 -0.002 0.000 0.290 37 I C -0.918 174.964 176.117 -0.392 0.000 1.056 37 I CA -0.476 60.571 61.300 -0.422 0.000 1.057 37 I CB 2.894 40.658 38.000 -0.393 0.000 1.240 37 I HN 0.489 nan 8.210 nan 0.000 0.423 38 I N 5.699 125.997 120.570 -0.453 0.000 2.389 38 I HA 0.462 4.632 4.170 -0.002 0.000 0.288 38 I C -1.404 174.511 176.117 -0.336 0.000 0.999 38 I CA -0.427 60.757 61.300 -0.194 0.000 1.129 38 I CB 0.982 39.021 38.000 0.065 0.000 1.288 38 I HN 0.356 nan 8.210 nan 0.000 0.444 39 F N 8.032 127.973 119.950 -0.016 0.000 2.385 39 F HA 0.379 4.905 4.527 -0.002 0.000 0.360 39 F C -0.277 175.608 175.800 0.142 0.000 1.122 39 F CA -0.671 57.343 58.000 0.023 0.000 1.090 39 F CB 1.276 40.216 39.000 -0.101 0.000 1.150 39 F HN 0.235 nan 8.300 nan 0.000 0.472 40 L N 4.140 125.443 121.223 0.133 0.000 2.294 40 L HA 0.544 4.883 4.340 -0.002 0.000 0.283 40 L C 0.019 176.636 176.870 -0.421 0.000 1.015 40 L CA -0.145 54.623 54.840 -0.121 0.000 0.831 40 L CB 0.796 42.731 42.059 -0.208 0.000 1.217 40 L HN 0.690 nan 8.230 nan 0.000 0.420 41 G N 4.089 112.553 108.800 -0.560 0.000 2.448 41 G HA2 0.074 4.033 3.960 -0.002 0.000 0.309 41 G HA3 0.074 4.033 3.960 -0.002 0.000 0.309 41 G C -0.155 174.460 174.900 -0.474 0.000 1.027 41 G CA -0.381 44.159 45.100 -0.934 0.000 1.104 41 G HN 0.669 nan 8.290 nan 0.000 0.428 42 D N 2.182 122.336 120.400 -0.409 0.000 2.358 42 D HA 0.332 4.972 4.640 -0.002 0.000 0.258 42 D C 1.405 177.542 176.300 -0.271 0.000 1.223 42 D CA 1.235 55.085 54.000 -0.250 0.000 0.886 42 D CB 0.791 41.523 40.800 -0.113 0.000 1.120 42 D HN 0.721 nan 8.370 nan 0.000 0.482 43 G N 4.179 112.725 108.800 -0.424 0.000 2.157 43 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.248 43 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.248 43 G C 0.657 175.547 174.900 -0.018 0.000 0.979 43 G CA 0.226 45.193 45.100 -0.221 0.000 0.650 43 G HN 0.559 nan 8.290 nan 0.000 0.529 44 M N 2.342 121.861 119.600 -0.135 0.000 3.213 44 M HA 0.446 4.925 4.480 -0.002 0.000 0.275 44 M C 1.109 177.434 176.300 0.041 0.000 1.424 44 M CA 0.494 55.767 55.300 -0.045 0.000 1.561 44 M CB -0.666 31.866 32.600 -0.113 0.000 1.109 44 M HN 0.284 nan 8.290 nan 0.000 0.552 45 G N 1.098 109.963 108.800 0.109 0.000 2.588 45 G HA2 0.285 4.245 3.960 -0.002 0.000 0.278 45 G HA3 0.285 4.245 3.960 -0.002 0.000 0.278 45 G C 0.753 175.745 174.900 0.153 0.000 1.307 45 G CA -0.726 44.449 45.100 0.124 0.000 1.016 45 G HN 0.413 nan 8.290 nan 0.000 0.503 46 V N 0.705 120.700 119.914 0.134 0.000 2.343 46 V HA -0.208 3.911 4.120 -0.002 0.000 0.247 46 V C 3.230 179.421 176.094 0.162 0.000 1.051 46 V CA 2.622 65.001 62.300 0.132 0.000 1.036 46 V CB -0.644 31.233 31.823 0.090 0.000 0.654 46 V HN 0.842 nan 8.190 nan 0.000 0.451 47 S N -0.645 115.168 115.700 0.188 0.000 2.402 47 S HA -0.204 4.265 4.470 -0.002 0.000 0.229 47 S C 1.905 176.722 174.600 0.361 0.000 1.021 47 S CA 1.768 60.099 58.200 0.218 0.000 0.974 47 S CB -0.742 62.540 63.200 0.138 0.000 0.800 47 S HN 0.573 nan 8.310 nan 0.000 0.484 48 T N 2.316 117.104 114.554 0.390 0.000 2.777 48 T HA 0.009 4.358 4.350 -0.002 0.000 0.266 48 T C 1.911 176.709 174.700 0.162 0.000 1.040 48 T CA 1.324 63.607 62.100 0.305 0.000 1.141 48 T CB -0.547 68.449 68.868 0.214 0.000 0.868 48 T HN 0.282 nan 8.240 nan 0.000 0.444 49 V N 1.624 121.624 119.914 0.143 0.000 2.295 49 V HA -0.196 3.923 4.120 -0.002 0.000 0.246 49 V C 2.806 178.941 176.094 0.068 0.000 1.049 49 V CA 2.083 64.441 62.300 0.096 0.000 1.024 49 V CB -1.161 30.752 31.823 0.149 0.000 0.648 49 V HN 0.518 nan 8.190 nan 0.000 0.447 50 T N 0.434 115.047 114.554 0.098 0.000 2.708 50 T HA -0.175 4.174 4.350 -0.002 0.000 0.266 50 T C 2.061 176.745 174.700 -0.026 0.000 1.037 50 T CA 1.714 63.855 62.100 0.069 0.000 1.146 50 T CB -0.493 68.455 68.868 0.133 0.000 0.865 50 T HN 0.566 nan 8.240 nan 0.000 0.435 51 A N 1.452 124.243 122.820 -0.048 0.000 1.902 51 A HA 0.131 4.450 4.320 -0.002 0.000 0.217 51 A C 2.647 180.127 177.584 -0.173 0.000 1.181 51 A CA 1.883 53.783 52.037 -0.227 0.000 0.623 51 A CB -1.114 17.843 19.000 -0.071 0.000 0.818 51 A HN 0.513 nan 8.150 nan 0.000 0.443 52 A N -0.358 122.417 122.820 -0.075 0.000 1.933 52 A HA -0.182 4.138 4.320 -0.002 0.000 0.218 52 A C 2.246 179.773 177.584 -0.094 0.000 1.175 52 A CA 1.723 53.708 52.037 -0.087 0.000 0.628 52 A CB -0.527 18.438 19.000 -0.058 0.000 0.814 52 A HN 0.564 nan 8.150 nan 0.000 0.444 53 R N -0.255 120.201 120.500 -0.073 0.000 2.091 53 R HA -0.124 4.215 4.340 -0.002 0.000 0.238 53 R C 1.927 178.182 176.300 -0.075 0.000 1.136 53 R CA 1.918 57.980 56.100 -0.063 0.000 0.959 53 R CB -0.391 29.892 30.300 -0.028 0.000 0.856 53 R HN 0.570 nan 8.270 nan 0.000 0.437 54 I N 0.617 121.122 120.570 -0.108 0.000 2.202 54 I HA -0.273 3.896 4.170 -0.002 0.000 0.242 54 I C 2.337 178.373 176.117 -0.135 0.000 1.091 54 I CA 0.603 61.831 61.300 -0.120 0.000 1.368 54 I CB -0.256 37.630 38.000 -0.190 0.000 1.058 54 I HN 0.238 nan 8.210 nan 0.000 0.410 55 L N 1.291 122.406 121.223 -0.179 0.000 2.017 55 L HA -0.234 4.105 4.340 -0.002 0.000 0.208 55 L C 2.443 179.255 176.870 -0.096 0.000 1.073 55 L CA 1.964 56.708 54.840 -0.160 0.000 0.745 55 L CB -0.708 41.238 42.059 -0.188 0.000 0.894 55 L HN 0.098 nan 8.230 nan 0.000 0.432 56 K N -1.060 119.287 120.400 -0.089 0.000 2.097 56 K HA -0.097 4.222 4.320 -0.002 0.000 0.205 56 K C 1.978 178.546 176.600 -0.054 0.000 1.050 56 K CA 1.229 57.475 56.287 -0.070 0.000 0.938 56 K CB -0.542 31.913 32.500 -0.075 0.000 0.718 56 K HN 0.486 nan 8.250 nan 0.000 0.442 57 G N 0.578 109.347 108.800 -0.051 0.000 2.418 57 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.217 57 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.217 57 G C 1.278 176.161 174.900 -0.028 0.000 1.158 57 G CA 0.527 45.607 45.100 -0.033 0.000 0.771 57 G HN 0.388 nan 8.290 nan 0.000 0.545 58 Q N -0.118 119.661 119.800 -0.035 0.000 2.172 58 Q HA 0.025 4.364 4.340 -0.002 0.000 0.200 58 Q C 2.483 178.473 176.000 -0.016 0.000 0.964 58 Q CA 0.826 56.615 55.803 -0.024 0.000 0.855 58 Q CB -0.051 28.669 28.738 -0.031 0.000 0.918 58 Q HN 0.397 nan 8.270 nan 0.000 0.444 59 K N 0.613 121.000 120.400 -0.022 0.000 2.211 59 K HA -0.049 4.270 4.320 -0.002 0.000 0.203 59 K C 0.862 177.453 176.600 -0.015 0.000 1.050 59 K CA 0.693 56.971 56.287 -0.014 0.000 0.945 59 K CB 0.207 32.694 32.500 -0.023 0.000 0.732 59 K HN 0.103 nan 8.250 nan 0.000 0.451 60 K N 0.107 120.495 120.400 -0.020 0.000 2.731 60 K HA 0.039 4.358 4.320 -0.002 0.000 0.284 60 K C 0.938 177.531 176.600 -0.012 0.000 1.027 60 K CA 0.566 56.842 56.287 -0.017 0.000 1.040 60 K CB 0.042 32.529 32.500 -0.021 0.000 1.334 60 K HN 0.023 nan 8.250 nan 0.000 0.498 61 D N 1.381 121.775 120.400 -0.010 0.000 2.434 61 D HA 0.036 4.675 4.640 -0.002 0.000 0.232 61 D C -0.006 176.291 176.300 -0.005 0.000 1.166 61 D CA 0.230 54.226 54.000 -0.007 0.000 0.830 61 D CB -0.014 40.782 40.800 -0.006 0.000 0.960 61 D HN 0.096 nan 8.370 nan 0.000 0.497 62 K N -0.865 119.531 120.400 -0.006 0.000 2.331 62 K HA 0.589 4.908 4.320 -0.002 0.000 0.238 62 K C 1.098 177.697 176.600 -0.001 0.000 1.058 62 K CA -0.811 55.475 56.287 -0.002 0.000 0.871 62 K CB 1.441 33.941 32.500 -0.000 0.000 1.292 62 K HN 0.057 nan 8.250 nan 0.000 0.470 63 L N 0.249 121.475 121.223 0.006 0.000 2.156 63 L HA -0.054 4.285 4.340 -0.002 0.000 0.208 63 L C 1.415 178.290 176.870 0.009 0.000 1.095 63 L CA 1.683 56.529 54.840 0.010 0.000 0.770 63 L CB -0.241 41.829 42.059 0.018 0.000 0.914 63 L HN 1.082 nan 8.230 nan 0.000 0.439 64 G N -1.022 107.783 108.800 0.010 0.000 2.483 64 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.196 64 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.196 64 G C -1.788 173.121 174.900 0.015 0.000 2.335 64 G CA 0.128 45.226 45.100 -0.004 0.000 1.576 64 G HN 0.069 nan 8.290 nan 0.000 0.499 65 P HA 0.052 nan 4.420 nan 0.000 0.226 65 P C 1.369 178.720 177.300 0.085 0.000 1.153 65 P CA 1.722 64.862 63.100 0.066 0.000 0.777 65 P CB -0.008 31.751 31.700 0.098 0.000 0.794 66 E N -0.240 120.016 120.200 0.093 0.000 2.371 66 E HA -0.037 4.313 4.350 -0.002 0.000 0.194 66 E C 0.600 177.243 176.600 0.071 0.000 1.012 66 E CA 0.413 56.882 56.400 0.114 0.000 0.860 66 E CB -0.377 29.408 29.700 0.141 0.000 0.811 66 E HN 0.193 nan 8.360 nan 0.000 0.502 67 I N 3.989 124.583 120.570 0.039 0.000 2.312 67 I HA 0.263 4.432 4.170 -0.002 0.000 0.291 67 I C -2.285 173.832 176.117 -0.000 0.000 1.031 67 I CA -2.934 58.374 61.300 0.013 0.000 1.293 67 I CB 0.509 38.508 38.000 -0.002 0.000 1.403 67 I HN -0.186 nan 8.210 nan 0.000 0.484 68 P HA 0.216 nan 4.420 nan 0.000 0.271 68 P C -0.059 177.208 177.300 -0.055 0.000 1.216 68 P CA -0.298 62.790 63.100 -0.021 0.000 0.771 68 P CB 0.629 32.320 31.700 -0.016 0.000 0.864 69 L N 1.795 122.967 121.223 -0.084 0.000 2.476 69 L HA 0.142 4.481 4.340 -0.002 0.000 0.264 69 L C 1.946 178.721 176.870 -0.160 0.000 1.224 69 L CA -0.233 54.524 54.840 -0.139 0.000 0.821 69 L CB -0.052 41.893 42.059 -0.190 0.000 1.101 69 L HN 0.413 nan 8.230 nan 0.000 0.488 70 A N 2.628 125.334 122.820 -0.189 0.000 1.940 70 A HA -0.215 4.104 4.320 -0.002 0.000 0.219 70 A C 2.095 179.555 177.584 -0.207 0.000 1.176 70 A CA 2.083 54.022 52.037 -0.163 0.000 0.631 70 A CB -0.631 18.254 19.000 -0.191 0.000 0.814 70 A HN 0.909 nan 8.150 nan 0.000 0.446 71 M N -1.511 117.795 119.600 -0.491 0.000 2.229 71 M HA -0.096 4.383 4.480 -0.002 0.000 0.264 71 M C 0.771 176.652 176.300 -0.699 0.000 1.063 71 M CA 2.149 56.883 55.300 -0.944 0.000 1.114 71 M CB -0.800 31.014 32.600 -1.309 0.000 1.387 71 M HN 0.061 nan 8.290 nan 0.000 0.420 72 D N 1.356 121.532 120.400 -0.373 0.000 2.310 72 D HA -0.050 4.589 4.640 -0.002 0.000 0.212 72 D C 1.814 178.139 176.300 0.040 0.000 0.965 72 D CA 0.898 54.836 54.000 -0.102 0.000 0.879 72 D CB -0.209 40.563 40.800 -0.047 0.000 0.921 72 D HN 0.543 nan 8.370 nan 0.000 0.510 73 R N -0.483 120.056 120.500 0.065 0.000 2.297 73 R HA 0.068 4.407 4.340 -0.002 0.000 0.197 73 R C 0.118 176.528 176.300 0.183 0.000 0.943 73 R CA -0.246 55.913 56.100 0.098 0.000 1.038 73 R CB 0.129 30.458 30.300 0.047 0.000 0.957 73 R HN 0.025 nan 8.270 nan 0.000 0.484 74 F N 2.343 122.273 119.950 -0.033 0.000 2.538 74 F HA 0.093 4.619 4.527 -0.001 0.000 0.371 74 F C -0.946 174.858 175.800 0.007 0.000 1.087 74 F CA -2.367 55.646 58.000 0.022 0.000 1.250 74 F CB 0.564 39.635 39.000 0.119 0.000 1.110 74 F HN -0.100 nan 8.300 nan 0.000 0.570 75 P HA -0.125 nan 4.420 nan 0.000 0.220 75 P C -0.614 176.478 177.300 -0.347 0.000 1.152 75 P CA 1.340 64.261 63.100 -0.297 0.000 0.812 75 P CB 0.188 31.494 31.700 -0.657 0.000 0.792 76 Y N -0.657 119.769 120.300 0.210 0.000 2.335 76 Y HA 0.445 4.994 4.550 -0.002 0.000 0.338 76 Y C 0.246 176.248 175.900 0.170 0.000 0.977 76 Y CA -1.120 57.089 58.100 0.181 0.000 1.114 76 Y CB 1.795 40.369 38.460 0.190 0.000 1.182 76 Y HN -0.371 nan 8.280 nan 0.000 0.463 77 V N 2.893 122.943 119.914 0.226 0.000 2.680 77 V HA 0.932 5.051 4.120 -0.002 0.000 0.309 77 V C -0.405 175.698 176.094 0.015 0.000 1.052 77 V CA -0.778 61.541 62.300 0.032 0.000 0.908 77 V CB 1.696 33.477 31.823 -0.070 0.000 1.001 77 V HN 0.899 nan 8.190 nan 0.000 0.431 78 A N 4.376 127.157 122.820 -0.065 0.000 2.527 78 A HA 0.944 5.263 4.320 -0.002 0.000 0.293 78 A C -1.360 176.150 177.584 -0.123 0.000 1.117 78 A CA -0.693 51.288 52.037 -0.092 0.000 0.723 78 A CB 1.509 20.448 19.000 -0.103 0.000 1.313 78 A HN 0.723 nan 8.150 nan 0.000 0.411 79 L N 0.817 121.973 121.223 -0.112 0.000 2.322 79 L HA 0.651 4.990 4.340 -0.002 0.000 0.279 79 L C 0.404 177.237 176.870 -0.061 0.000 1.036 79 L CA -0.489 54.301 54.840 -0.082 0.000 0.807 79 L CB 1.907 43.930 42.059 -0.060 0.000 1.226 79 L HN 0.640 nan 8.230 nan 0.000 0.433 80 S N 2.174 117.862 115.700 -0.020 0.000 2.478 80 S HA 0.415 4.884 4.470 -0.002 0.000 0.312 80 S C -0.693 173.937 174.600 0.049 0.000 1.094 80 S CA -0.852 57.359 58.200 0.020 0.000 1.081 80 S CB 0.810 64.037 63.200 0.046 0.000 1.007 80 S HN 0.464 nan 8.310 nan 0.000 0.475 81 K N 3.031 123.471 120.400 0.067 0.000 2.276 81 K HA 0.224 4.543 4.320 -0.002 0.000 0.285 81 K C 1.010 177.661 176.600 0.086 0.000 1.062 81 K CA -0.253 56.108 56.287 0.123 0.000 0.918 81 K CB 0.889 33.508 32.500 0.200 0.000 1.055 81 K HN 0.771 nan 8.250 nan 0.000 0.477 82 T N -1.103 113.531 114.554 0.132 0.000 3.069 82 T HA -0.016 4.333 4.350 -0.002 0.000 0.252 82 T C 0.630 175.388 174.700 0.097 0.000 1.053 82 T CA -0.396 61.769 62.100 0.108 0.000 0.964 82 T CB -0.435 68.533 68.868 0.167 0.000 1.005 82 T HN 0.511 nan 8.240 nan 0.000 0.532 83 Y N 2.482 122.863 120.300 0.136 0.000 2.904 83 Y HA 0.342 4.890 4.550 -0.002 0.000 0.336 83 Y C -0.001 175.984 175.900 0.142 0.000 1.263 83 Y CA -1.699 56.492 58.100 0.151 0.000 1.547 83 Y CB -0.234 38.322 38.460 0.159 0.000 1.272 83 Y HN -0.087 nan 8.280 nan 0.000 0.596 84 N N 2.299 121.128 118.700 0.215 0.000 2.408 84 N HA 0.122 4.861 4.740 -0.002 0.000 0.260 84 N C 1.008 176.659 175.510 0.235 0.000 1.242 84 N CA -0.461 52.676 53.050 0.146 0.000 0.959 84 N CB 1.440 40.041 38.487 0.191 0.000 1.201 84 N HN 0.636 nan 8.380 nan 0.000 0.511 85 V N 0.408 120.418 119.914 0.160 0.000 2.407 85 V HA -0.217 3.902 4.120 -0.002 0.000 0.248 85 V C 1.551 177.729 176.094 0.140 0.000 1.055 85 V CA 2.107 64.517 62.300 0.183 0.000 1.049 85 V CB -0.526 31.365 31.823 0.114 0.000 0.662 85 V HN 0.737 nan 8.190 nan 0.000 0.455 86 D N -1.234 119.220 120.400 0.090 0.000 2.360 86 D HA 0.034 4.673 4.640 -0.002 0.000 0.210 86 D C 0.636 176.893 176.300 -0.072 0.000 1.047 86 D CA 0.260 54.265 54.000 0.008 0.000 0.854 86 D CB 0.240 41.041 40.800 0.000 0.000 0.936 86 D HN 0.353 nan 8.370 nan 0.000 0.514 87 K N -0.461 119.927 120.400 -0.020 0.000 2.535 87 K HA 0.246 4.565 4.320 -0.002 0.000 0.251 87 K C -0.178 176.464 176.600 0.071 0.000 0.942 87 K CA -0.614 55.609 56.287 -0.106 0.000 0.798 87 K CB 1.870 34.231 32.500 -0.232 0.000 1.267 87 K HN -0.069 nan 8.250 nan 0.000 0.434 88 H N -0.148 118.952 119.070 0.050 0.000 2.389 88 H HA -0.021 4.534 4.556 -0.001 0.000 0.299 88 H C 0.460 175.872 175.328 0.140 0.000 1.081 88 H CA 0.570 56.677 56.048 0.098 0.000 1.345 88 H CB 0.506 30.289 29.762 0.035 0.000 1.393 88 H HN 0.033 nan 8.280 nan 0.000 0.520 89 V N 4.206 124.257 119.914 0.228 0.000 2.333 89 V HA 0.184 4.303 4.120 -0.002 0.000 0.274 89 V C -1.885 174.377 176.094 0.280 0.000 1.028 89 V CA -1.601 60.830 62.300 0.219 0.000 0.851 89 V CB 1.483 33.410 31.823 0.173 0.000 1.000 89 V HN 0.150 nan 8.190 nan 0.000 0.456 90 P HA 0.388 nan 4.420 nan 0.000 0.281 90 P C -1.164 176.258 177.300 0.204 0.000 1.281 90 P CA -0.341 62.944 63.100 0.309 0.000 0.811 90 P CB 1.608 33.426 31.700 0.196 0.000 1.154 94 A N 1.152 123.903 122.820 -0.114 0.000 2.014 94 A HA 0.177 4.496 4.320 -0.002 0.000 0.218 94 A C 2.541 180.096 177.584 -0.049 0.000 1.163 94 A CA 2.904 54.898 52.037 -0.072 0.000 0.652 94 A CB -1.011 17.973 19.000 -0.028 0.000 0.808 94 A HN 0.976 nan 8.150 nan 0.000 0.449 95 T N -1.755 112.802 114.554 0.005 0.000 2.777 95 T HA 0.015 4.364 4.350 -0.002 0.000 0.266 95 T C 1.987 176.595 174.700 -0.154 0.000 1.040 95 T CA 1.492 63.645 62.100 0.090 0.000 1.141 95 T CB -0.653 68.389 68.868 0.290 0.000 0.868 95 T HN 0.529 nan 8.240 nan 0.000 0.444 96 A N 1.872 124.499 122.820 -0.321 0.000 1.940 96 A HA -0.100 4.220 4.320 -0.002 0.000 0.219 96 A C 2.626 179.836 177.584 -0.624 0.000 1.176 96 A CA 2.259 53.796 52.037 -0.834 0.000 0.631 96 A CB -1.611 17.162 19.000 -0.379 0.000 0.814 96 A HN 0.566 nan 8.150 nan 0.000 0.446 97 T N 0.291 114.652 114.554 -0.323 0.000 2.720 97 T HA -0.040 4.309 4.350 -0.002 0.000 0.268 97 T C 2.207 176.810 174.700 -0.162 0.000 1.037 97 T CA 1.647 63.621 62.100 -0.211 0.000 1.144 97 T CB -0.466 68.328 68.868 -0.122 0.000 0.864 97 T HN 0.625 nan 8.240 nan 0.000 0.444 98 A N 1.685 124.427 122.820 -0.129 0.000 1.845 98 A HA -0.079 4.240 4.320 -0.002 0.000 0.215 98 A C 2.153 179.760 177.584 0.039 0.000 1.195 98 A CA 1.807 53.836 52.037 -0.013 0.000 0.616 98 A CB -1.017 18.004 19.000 0.035 0.000 0.832 98 A HN 0.774 nan 8.150 nan 0.000 0.443 99 Y N -1.602 118.757 120.300 0.098 0.000 2.544 99 Y HA 0.436 4.985 4.550 -0.001 0.000 0.286 99 Y C 1.339 177.325 175.900 0.143 0.000 1.141 99 Y CA 0.441 58.623 58.100 0.137 0.000 1.299 99 Y CB -0.363 38.195 38.460 0.163 0.000 1.030 99 Y HN 0.125 nan 8.280 nan 0.000 0.543 100 L N -1.624 119.537 121.223 -0.103 0.000 2.609 100 L HA 0.131 4.470 4.340 -0.002 0.000 0.230 100 L C 1.244 178.071 176.870 -0.071 0.000 1.064 100 L CA 0.232 55.063 54.840 -0.015 0.000 0.873 100 L CB 0.160 42.133 42.059 -0.143 0.000 1.139 100 L HN 0.220 nan 8.230 nan 0.000 0.490 101 C N -0.359 118.877 119.300 -0.106 0.000 3.065 101 C HA 0.466 4.925 4.460 -0.002 0.000 0.285 101 C C 1.646 176.591 174.990 -0.076 0.000 1.257 101 C CA 0.081 59.043 59.018 -0.092 0.000 1.691 101 C CB -0.062 27.627 27.740 -0.085 0.000 2.089 101 C HN 0.731 nan 8.230 nan 0.000 0.630 102 G N 1.017 109.804 108.800 -0.021 0.000 2.136 102 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.242 102 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.242 102 G C -0.200 174.824 174.900 0.207 0.000 0.989 102 G CA 0.447 45.593 45.100 0.075 0.000 0.682 102 G HN 0.492 nan 8.290 nan 0.000 0.522 103 V N 0.345 120.316 119.914 0.095 0.000 2.808 103 V HA 0.451 4.570 4.120 -0.002 0.000 0.308 103 V C 0.279 176.393 176.094 0.033 0.000 1.099 103 V CA -1.364 60.984 62.300 0.080 0.000 0.920 103 V CB 1.994 33.851 31.823 0.056 0.000 1.014 103 V HN 0.292 nan 8.190 nan 0.000 0.425 104 K N 2.112 122.527 120.400 0.025 0.000 2.237 104 K HA 0.650 4.969 4.320 -0.002 0.000 0.270 104 K C 0.330 176.936 176.600 0.010 0.000 1.015 104 K CA -0.054 56.229 56.287 -0.006 0.000 0.949 104 K CB 1.573 34.043 32.500 -0.049 0.000 0.976 104 K HN 0.906 nan 8.250 nan 0.000 0.472 105 G N 1.094 109.898 108.800 0.006 0.000 3.015 105 G HA2 0.241 4.200 3.960 -0.002 0.000 0.281 105 G HA3 0.241 4.200 3.960 -0.002 0.000 0.281 105 G C -0.988 173.939 174.900 0.044 0.000 1.386 105 G CA -0.720 44.391 45.100 0.018 0.000 0.959 105 G HN 0.461 nan 8.290 nan 0.000 0.522 106 N N -0.096 118.635 118.700 0.053 0.000 2.499 106 N HA 0.211 4.950 4.740 -0.002 0.000 0.281 106 N C -0.298 175.274 175.510 0.104 0.000 1.098 106 N CA -0.368 52.735 53.050 0.088 0.000 0.979 106 N CB 1.471 40.009 38.487 0.086 0.000 1.121 106 N HN 0.374 nan 8.380 nan 0.000 0.466 107 F N 2.163 122.078 119.950 -0.059 0.000 2.480 107 F HA -0.257 4.269 4.527 -0.002 0.000 0.409 107 F C 1.346 177.035 175.800 -0.185 0.000 0.979 107 F CA 1.279 59.209 58.000 -0.117 0.000 1.184 107 F CB 0.116 39.024 39.000 -0.153 0.000 0.925 107 F HN 0.616 nan 8.300 nan 0.000 0.543 108 Q N 0.777 120.337 119.800 -0.400 0.000 2.374 108 Q HA -0.236 4.103 4.340 -0.002 0.000 0.218 108 Q C 0.261 176.206 176.000 -0.092 0.000 0.691 108 Q CA 1.018 56.600 55.803 -0.367 0.000 1.340 108 Q CB -1.971 26.401 28.738 -0.610 0.000 1.498 108 Q HN 0.818 nan 8.270 nan 0.000 0.739 109 T N -1.693 112.828 114.554 -0.055 0.000 2.944 109 T HA 0.805 5.155 4.350 -0.002 0.000 0.284 109 T C 0.093 174.725 174.700 -0.113 0.000 1.010 109 T CA -0.774 61.289 62.100 -0.061 0.000 1.025 109 T CB 1.722 70.581 68.868 -0.015 0.000 1.079 109 T HN 0.229 nan 8.240 nan 0.000 0.516 110 I N 0.523 121.015 120.570 -0.131 0.000 2.569 110 I HA 0.546 4.715 4.170 -0.002 0.000 0.290 110 I C 0.976 177.001 176.117 -0.155 0.000 1.088 110 I CA -0.854 60.344 61.300 -0.170 0.000 1.047 110 I CB 1.939 39.803 38.000 -0.227 0.000 1.237 110 I HN 1.075 nan 8.210 nan 0.000 0.421 111 G N 5.290 113.993 108.800 -0.161 0.000 2.249 111 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.273 111 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.273 111 G C -0.428 174.520 174.900 0.080 0.000 1.036 111 G CA 0.125 45.157 45.100 -0.114 0.000 0.824 111 G HN 0.456 nan 8.290 nan 0.000 0.504 112 L N 0.247 121.483 121.223 0.023 0.000 2.388 112 L HA 0.653 4.992 4.340 -0.002 0.000 0.264 112 L C 1.091 177.972 176.870 0.018 0.000 0.998 112 L CA -0.626 54.237 54.840 0.038 0.000 0.817 112 L CB 2.045 44.118 42.059 0.023 0.000 1.338 112 L HN 0.344 nan 8.230 nan 0.000 0.414 113 S N 1.011 116.724 115.700 0.021 0.000 2.587 113 S HA 0.232 4.701 4.470 -0.002 0.000 0.260 113 S C 0.989 175.603 174.600 0.024 0.000 1.353 113 S CA 0.103 58.316 58.200 0.021 0.000 0.995 113 S CB 1.130 64.342 63.200 0.021 0.000 0.912 113 S HN 0.737 nan 8.310 nan 0.000 0.568 114 A N 0.317 123.155 122.820 0.030 0.000 2.259 114 A HA 0.492 4.811 4.320 -0.002 0.000 0.208 114 A C 1.994 179.597 177.584 0.032 0.000 1.201 114 A CA 0.592 52.651 52.037 0.036 0.000 0.824 114 A CB -1.315 17.713 19.000 0.047 0.000 0.838 114 A HN 1.231 nan 8.150 nan 0.000 0.485 115 A N -0.243 122.593 122.820 0.025 0.000 2.066 115 A HA 0.477 4.796 4.320 -0.002 0.000 0.218 115 A C 1.497 179.092 177.584 0.018 0.000 1.157 115 A CA 0.912 52.962 52.037 0.020 0.000 0.670 115 A CB -0.516 18.493 19.000 0.015 0.000 0.804 115 A HN 0.873 nan 8.150 nan 0.000 0.453 116 A N -0.071 122.761 122.820 0.019 0.000 2.313 116 A HA 0.632 4.951 4.320 -0.002 0.000 0.261 116 A C 0.274 177.874 177.584 0.026 0.000 1.090 116 A CA -0.390 51.656 52.037 0.016 0.000 0.807 116 A CB 0.366 19.372 19.000 0.010 0.000 1.055 116 A HN 0.308 nan 8.150 nan 0.000 0.492 117 R N -0.177 120.336 120.500 0.022 0.000 2.628 117 R HA 0.295 4.634 4.340 -0.002 0.000 0.288 117 R C -1.119 175.206 176.300 0.042 0.000 0.980 117 R CA -0.667 55.460 56.100 0.046 0.000 0.891 117 R CB 1.276 31.596 30.300 0.033 0.000 1.188 117 R HN 0.697 nan 8.270 nan 0.000 0.450 118 F N 3.363 123.282 119.950 -0.052 0.000 2.623 118 F HA -0.122 4.405 4.527 -0.001 0.000 0.383 118 F C 1.156 176.894 175.800 -0.104 0.000 1.077 118 F CA 0.521 58.463 58.000 -0.097 0.000 1.268 118 F CB 0.220 39.186 39.000 -0.056 0.000 1.053 118 F HN 0.805 nan 8.300 nan 0.000 0.571 119 N N 2.826 120.902 118.700 -1.040 0.000 2.741 119 N HA -0.265 4.474 4.740 -0.002 0.000 0.250 119 N C -1.071 174.255 175.510 -0.307 0.000 1.115 119 N CA 1.395 53.903 53.050 -0.905 0.000 0.724 119 N CB -1.181 36.600 38.487 -1.178 0.000 1.090 119 N HN 0.834 nan 8.380 nan 0.000 0.558 120 Q N -0.361 119.328 119.800 -0.184 0.000 2.607 120 Q HA 0.275 4.614 4.340 -0.002 0.000 0.247 120 Q C 0.889 176.894 176.000 0.008 0.000 1.033 120 Q CA -0.211 55.565 55.803 -0.045 0.000 0.769 120 Q CB 0.646 29.366 28.738 -0.031 0.000 1.169 120 Q HN 0.436 nan 8.270 nan 0.000 0.508 121 c N 2.938 121.593 118.600 0.093 0.000 2.403 121 c HA -0.164 4.405 4.570 -0.002 0.000 0.277 121 c C 1.958 176.084 174.090 0.060 0.000 1.248 121 c CA 1.775 58.184 56.329 0.134 0.000 1.762 121 c CB -0.518 42.088 42.510 0.161 0.000 2.014 121 c HN 0.926 nan 8.230 nan 0.000 0.486 122 N N 0.661 119.382 118.700 0.035 0.000 2.571 122 N HA -0.074 4.665 4.740 -0.002 0.000 0.189 122 N C 1.006 176.523 175.510 0.011 0.000 1.154 122 N CA 1.558 54.618 53.050 0.018 0.000 0.907 122 N CB -1.166 37.327 38.487 0.010 0.000 0.977 122 N HN 0.736 nan 8.380 nan 0.000 0.449 123 T N -5.763 108.797 114.554 0.011 0.000 3.134 123 T HA 0.203 4.552 4.350 -0.002 0.000 0.260 123 T C 1.079 175.782 174.700 0.006 0.000 1.027 123 T CA -0.191 61.913 62.100 0.006 0.000 0.913 123 T CB -0.226 68.644 68.868 0.004 0.000 1.046 123 T HN -0.013 nan 8.240 nan 0.000 0.553 124 T N 1.900 116.461 114.554 0.011 0.000 2.770 124 T HA 0.123 4.472 4.350 -0.002 0.000 0.258 124 T C 0.988 175.685 174.700 -0.005 0.000 1.039 124 T CA 0.463 62.569 62.100 0.011 0.000 1.143 124 T CB 0.005 68.892 68.868 0.032 0.000 0.866 124 T HN 0.276 nan 8.240 nan 0.000 0.428 125 R N 1.264 121.760 120.500 -0.008 0.000 2.491 125 R HA 0.410 4.749 4.340 -0.002 0.000 0.283 125 R C 1.429 177.714 176.300 -0.025 0.000 1.072 125 R CA 0.662 56.748 56.100 -0.024 0.000 1.048 125 R CB -0.006 30.283 30.300 -0.019 0.000 0.983 125 R HN 0.600 nan 8.270 nan 0.000 0.450 126 G N 2.569 111.345 108.800 -0.039 0.000 2.234 126 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.235 126 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.235 126 G C 0.523 175.404 174.900 -0.032 0.000 0.997 126 G CA 0.259 45.339 45.100 -0.033 0.000 0.623 126 G HN 0.653 nan 8.290 nan 0.000 0.514 127 N N 0.619 119.299 118.700 -0.033 0.000 2.187 127 N HA 0.322 5.061 4.740 -0.002 0.000 0.212 127 N C -0.194 175.302 175.510 -0.023 0.000 1.152 127 N CA -0.203 52.836 53.050 -0.018 0.000 0.872 127 N CB 0.505 38.990 38.487 -0.003 0.000 1.025 127 N HN 0.443 nan 8.380 nan 0.000 0.514 128 E N 1.275 121.427 120.200 -0.080 0.000 2.344 128 E HA 0.145 4.494 4.350 -0.002 0.000 0.270 128 E C -0.316 176.248 176.600 -0.061 0.000 1.021 128 E CA -0.240 56.072 56.400 -0.147 0.000 0.887 128 E CB 0.955 30.343 29.700 -0.520 0.000 0.997 128 E HN 0.012 nan 8.360 nan 0.000 0.429 129 V N 0.891 120.851 119.914 0.076 0.000 2.540 129 V HA 0.497 4.616 4.120 -0.002 0.000 0.302 129 V C -0.386 175.790 176.094 0.137 0.000 1.035 129 V CA -1.049 61.288 62.300 0.061 0.000 0.873 129 V CB 1.360 33.204 31.823 0.034 0.000 0.992 129 V HN 0.443 nan 8.190 nan 0.000 0.428 130 I N 4.303 124.916 120.570 0.072 0.000 2.396 130 I HA 0.411 4.580 4.170 -0.002 0.000 0.292 130 I C 1.045 177.150 176.117 -0.019 0.000 0.999 130 I CA 0.401 61.747 61.300 0.077 0.000 1.310 130 I CB 1.738 39.753 38.000 0.024 0.000 1.404 130 I HN 1.065 nan 8.210 nan 0.000 0.496 131 S N 4.907 120.571 115.700 -0.060 0.000 2.614 131 S HA 0.168 4.637 4.470 -0.002 0.000 0.265 131 S C 1.147 175.651 174.600 -0.161 0.000 1.303 131 S CA -0.414 57.706 58.200 -0.133 0.000 1.000 131 S CB 1.695 64.779 63.200 -0.192 0.000 0.935 131 S HN 0.559 nan 8.310 nan 0.000 0.551 132 V N 2.392 122.195 119.914 -0.183 0.000 2.809 132 V HA -0.087 4.032 4.120 -0.002 0.000 0.256 132 V C 1.954 177.782 176.094 -0.444 0.000 1.080 132 V CA 2.033 64.214 62.300 -0.198 0.000 1.102 132 V CB -0.950 30.850 31.823 -0.038 0.000 0.705 132 V HN 0.981 nan 8.190 nan 0.000 0.475 133 M N 0.911 120.047 119.600 -0.774 0.000 2.086 133 M HA -0.193 4.286 4.480 -0.002 0.000 0.261 133 M C 2.097 178.194 176.300 -0.339 0.000 1.067 133 M CA 2.699 57.444 55.300 -0.925 0.000 1.116 133 M CB -0.475 31.643 32.600 -0.804 0.000 1.348 133 M HN 0.629 nan 8.290 nan 0.000 0.407 134 N N -0.337 118.237 118.700 -0.210 0.000 2.104 134 N HA -0.193 4.546 4.740 -0.002 0.000 0.190 134 N C 1.577 177.048 175.510 -0.065 0.000 1.024 134 N CA 1.735 54.735 53.050 -0.082 0.000 0.853 134 N CB 0.046 38.511 38.487 -0.036 0.000 1.008 134 N HN 0.269 nan 8.380 nan 0.000 0.424 135 R N 0.023 120.471 120.500 -0.087 0.000 2.096 135 R HA 0.040 4.379 4.340 -0.002 0.000 0.235 135 R C 2.267 178.547 176.300 -0.033 0.000 1.127 135 R CA 1.257 57.326 56.100 -0.053 0.000 0.968 135 R CB -0.402 29.865 30.300 -0.055 0.000 0.861 135 R HN 0.275 nan 8.270 nan 0.000 0.440 136 A N 1.252 124.041 122.820 -0.051 0.000 1.877 136 A HA -0.225 4.094 4.320 -0.002 0.000 0.216 136 A C 2.021 179.623 177.584 0.030 0.000 1.186 136 A CA 1.723 53.767 52.037 0.012 0.000 0.620 136 A CB -0.381 18.651 19.000 0.054 0.000 0.822 136 A HN 0.112 nan 8.150 nan 0.000 0.443 137 K N 0.557 120.967 120.400 0.017 0.000 2.032 137 K HA -0.182 4.137 4.320 -0.002 0.000 0.209 137 K C 1.970 178.588 176.600 0.030 0.000 1.048 137 K CA 2.283 58.593 56.287 0.039 0.000 0.927 137 K CB -0.401 32.123 32.500 0.039 0.000 0.712 137 K HN 0.449 nan 8.250 nan 0.000 0.441 138 K N -0.566 119.842 120.400 0.014 0.000 2.152 138 K HA -0.067 4.252 4.320 -0.002 0.000 0.206 138 K C 1.377 177.986 176.600 0.014 0.000 1.048 138 K CA 1.419 57.713 56.287 0.012 0.000 0.933 138 K CB -0.273 32.228 32.500 0.001 0.000 0.721 138 K HN 0.221 nan 8.250 nan 0.000 0.447 139 A N -0.313 122.516 122.820 0.016 0.000 2.278 139 A HA 0.263 4.582 4.320 -0.002 0.000 0.212 139 A C 1.218 178.817 177.584 0.026 0.000 1.213 139 A CA 0.605 52.653 52.037 0.017 0.000 0.840 139 A CB -0.324 18.685 19.000 0.016 0.000 0.866 139 A HN 0.557 nan 8.150 nan 0.000 0.489 140 G N -0.583 108.238 108.800 0.034 0.000 2.175 140 G HA2 -0.232 3.728 3.960 -0.002 0.000 0.244 140 G HA3 -0.232 3.728 3.960 -0.002 0.000 0.244 140 G C 0.207 175.140 174.900 0.055 0.000 0.982 140 G CA 0.294 45.418 45.100 0.040 0.000 0.641 140 G HN 0.552 nan 8.290 nan 0.000 0.527 141 K N 0.930 121.371 120.400 0.068 0.000 2.202 141 K HA 0.504 4.823 4.320 -0.002 0.000 0.264 141 K C 0.531 177.205 176.600 0.124 0.000 1.010 141 K CA -0.063 56.286 56.287 0.103 0.000 0.940 141 K CB 0.768 33.340 32.500 0.121 0.000 0.983 141 K HN 0.162 nan 8.250 nan 0.000 0.475 142 S N 0.823 116.618 115.700 0.158 0.000 2.592 142 S HA 0.281 4.750 4.470 -0.002 0.000 0.271 142 S C -0.311 174.421 174.600 0.219 0.000 1.326 142 S CA -0.965 57.320 58.200 0.142 0.000 1.024 142 S CB 1.014 64.277 63.200 0.106 0.000 0.921 142 S HN 0.450 nan 8.310 nan 0.000 0.527 143 V N -0.531 119.493 119.914 0.184 0.000 2.841 143 V HA 1.043 5.162 4.120 -0.002 0.000 0.310 143 V C -0.136 176.091 176.094 0.221 0.000 1.090 143 V CA -0.619 61.838 62.300 0.262 0.000 0.930 143 V CB 1.528 33.483 31.823 0.221 0.000 1.014 143 V HN 0.937 nan 8.190 nan 0.000 0.425 144 G N 1.738 110.705 108.800 0.279 0.000 2.667 144 G HA2 0.666 4.625 3.960 -0.002 0.000 0.298 144 G HA3 0.666 4.625 3.960 -0.002 0.000 0.298 144 G C -1.713 173.367 174.900 0.300 0.000 1.377 144 G CA -0.772 44.457 45.100 0.214 0.000 0.964 144 G HN 1.171 nan 8.290 nan 0.000 0.493 145 V N 1.292 121.368 119.914 0.270 0.000 2.443 145 V HA 0.573 4.693 4.120 -0.002 0.000 0.293 145 V C -0.498 175.783 176.094 0.312 0.000 1.021 145 V CA -0.653 61.869 62.300 0.371 0.000 0.848 145 V CB 1.512 33.507 31.823 0.286 0.000 0.998 145 V HN 0.597 nan 8.190 nan 0.000 0.424 146 V N 3.954 124.073 119.914 0.342 0.000 2.531 146 V HA 0.813 4.932 4.120 -0.002 0.000 0.301 146 V C -0.124 176.108 176.094 0.230 0.000 1.034 146 V CA -0.190 62.245 62.300 0.226 0.000 0.865 146 V CB 2.079 33.982 31.823 0.134 0.000 0.995 146 V HN 0.942 nan 8.190 nan 0.000 0.424 147 T N 1.388 116.069 114.554 0.211 0.000 2.889 147 T HA 0.334 4.683 4.350 -0.002 0.000 0.315 147 T C 0.810 175.576 174.700 0.109 0.000 1.291 147 T CA 0.360 62.559 62.100 0.164 0.000 1.028 147 T CB 1.993 71.015 68.868 0.257 0.000 1.235 147 T HN 0.835 nan 8.240 nan 0.000 0.491 148 T N -0.051 114.520 114.554 0.029 0.000 3.113 148 T HA 0.184 4.533 4.350 -0.002 0.000 0.256 148 T C 1.181 175.849 174.700 -0.053 0.000 1.131 148 T CA 0.793 62.883 62.100 -0.016 0.000 1.074 148 T CB -0.665 68.154 68.868 -0.082 0.000 0.944 148 T HN 0.839 nan 8.240 nan 0.000 0.516 149 T N -0.106 114.416 114.554 -0.054 0.000 2.810 149 T HA 0.452 4.801 4.350 -0.002 0.000 0.277 149 T C 0.215 174.980 174.700 0.108 0.000 0.973 149 T CA -1.118 60.951 62.100 -0.051 0.000 0.949 149 T CB 0.630 69.380 68.868 -0.196 0.000 1.075 149 T HN 0.221 nan 8.240 nan 0.000 0.537 150 R N 0.440 121.045 120.500 0.175 0.000 2.538 150 R HA 0.103 4.442 4.340 -0.002 0.000 0.273 150 R C 1.689 178.149 176.300 0.267 0.000 0.967 150 R CA 0.410 56.657 56.100 0.246 0.000 1.101 150 R CB 0.157 30.635 30.300 0.298 0.000 0.908 150 R HN 0.644 nan 8.270 nan 0.000 0.411 151 V N 0.591 120.648 119.914 0.238 0.000 3.141 151 V HA -0.146 3.973 4.120 -0.002 0.000 0.265 151 V C 1.001 177.279 176.094 0.307 0.000 1.126 151 V CA 1.106 63.551 62.300 0.242 0.000 1.141 151 V CB -0.208 31.709 31.823 0.157 0.000 0.743 151 V HN 0.678 nan 8.190 nan 0.000 0.492 152 Q N -0.707 119.274 119.800 0.301 0.000 2.360 152 Q HA 0.246 4.585 4.340 -0.002 0.000 0.202 152 Q C 0.854 177.052 176.000 0.330 0.000 0.915 152 Q CA 0.140 56.128 55.803 0.308 0.000 0.943 152 Q CB -0.297 28.579 28.738 0.230 0.000 1.064 152 Q HN 0.867 nan 8.270 nan 0.000 0.511 153 H N -0.679 118.551 119.070 0.266 0.000 2.730 153 H HA 0.245 4.801 4.556 -0.001 0.000 0.376 153 H C 1.202 176.620 175.328 0.149 0.000 1.299 153 H CA 0.440 56.664 56.048 0.292 0.000 1.447 153 H CB 0.892 30.805 29.762 0.252 0.000 1.493 153 H HN 0.157 nan 8.280 nan 0.000 0.619 154 A N 1.368 124.353 122.820 0.275 0.000 1.883 154 A HA -0.211 4.109 4.320 -0.002 0.000 0.217 154 A C 2.383 180.013 177.584 0.076 0.000 1.186 154 A CA 2.042 54.134 52.037 0.092 0.000 0.624 154 A CB -0.979 18.075 19.000 0.089 0.000 0.822 154 A HN 0.698 nan 8.150 nan 0.000 0.444 155 S N 0.438 116.274 115.700 0.227 0.000 2.344 155 S HA -0.102 4.367 4.470 -0.002 0.000 0.217 155 S C -0.152 174.421 174.600 -0.046 0.000 1.033 155 S CA 1.589 59.938 58.200 0.248 0.000 1.017 155 S CB -1.384 62.108 63.200 0.487 0.000 0.941 155 S HN 0.613 nan 8.310 nan 0.000 0.430 156 P HA -0.004 nan 4.420 nan 0.000 0.218 156 P C 1.239 178.316 177.300 -0.372 0.000 1.149 156 P CA 1.484 64.395 63.100 -0.316 0.000 0.817 156 P CB -0.169 31.618 31.700 0.145 0.000 0.785 157 A N 0.472 123.077 122.820 -0.360 0.000 2.070 157 A HA -0.043 4.276 4.320 -0.002 0.000 0.220 157 A C 2.550 179.635 177.584 -0.833 0.000 1.159 157 A CA 1.758 53.282 52.037 -0.854 0.000 0.656 157 A CB -1.878 16.840 19.000 -0.468 0.000 0.800 157 A HN 0.309 nan 8.150 nan 0.000 0.453 158 G N -0.330 108.154 108.800 -0.527 0.000 2.470 158 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.220 158 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.220 158 G C 1.621 176.252 174.900 -0.449 0.000 1.121 158 G CA 1.789 46.616 45.100 -0.454 0.000 0.766 158 G HN 0.696 nan 8.290 nan 0.000 0.553 159 T N -1.999 112.276 114.554 -0.464 0.000 2.995 159 T HA -0.032 4.317 4.350 -0.002 0.000 0.269 159 T C 1.866 176.458 174.700 -0.180 0.000 1.091 159 T CA 1.414 63.344 62.100 -0.283 0.000 1.128 159 T CB -0.328 68.436 68.868 -0.173 0.000 0.891 159 T HN 0.712 nan 8.240 nan 0.000 0.492 160 Y N -0.472 119.692 120.300 -0.227 0.000 2.438 160 Y HA 0.805 5.354 4.550 -0.002 0.000 0.274 160 Y C 0.593 176.337 175.900 -0.260 0.000 1.085 160 Y CA -1.027 56.963 58.100 -0.183 0.000 1.199 160 Y CB 0.054 38.460 38.460 -0.090 0.000 1.317 160 Y HN 0.324 nan 8.280 nan 0.000 0.545 161 A N 0.947 123.381 122.820 -0.643 0.000 2.311 161 A HA 0.779 5.098 4.320 -0.002 0.000 0.334 161 A C -1.713 175.455 177.584 -0.693 0.000 1.139 161 A CA -0.652 51.108 52.037 -0.462 0.000 0.830 161 A CB 0.362 19.102 19.000 -0.434 0.000 1.234 161 A HN 0.524 nan 8.150 nan 0.000 0.483 162 H N -0.467 118.559 119.070 -0.072 0.000 3.013 162 H HA 0.628 5.183 4.556 -0.002 0.000 0.326 162 H C -0.576 174.725 175.328 -0.045 0.000 0.973 162 H CA 0.036 56.045 56.048 -0.065 0.000 1.369 162 H CB 1.884 31.625 29.762 -0.035 0.000 1.598 162 H HN 0.676 nan 8.280 nan 0.000 0.518 163 T N 1.368 115.918 114.554 -0.006 0.000 2.932 163 T HA 0.196 4.545 4.350 -0.002 0.000 0.318 163 T C 0.756 175.375 174.700 -0.134 0.000 1.265 163 T CA -0.601 61.477 62.100 -0.038 0.000 1.036 163 T CB 1.091 69.926 68.868 -0.055 0.000 1.209 163 T HN 0.395 nan 8.240 nan 0.000 0.484 164 V N 1.400 121.194 119.914 -0.200 0.000 3.573 164 V HA 0.444 4.563 4.120 -0.002 0.000 0.270 164 V C 0.587 176.366 176.094 -0.525 0.000 1.221 164 V CA 0.486 62.619 62.300 -0.278 0.000 1.163 164 V CB -0.758 30.917 31.823 -0.246 0.000 0.847 164 V HN 0.684 nan 8.190 nan 0.000 0.468 165 N N 1.152 119.378 118.700 -0.790 0.000 2.571 165 N HA 0.256 4.996 4.740 -0.002 0.000 0.286 165 N C 0.955 176.055 175.510 -0.682 0.000 1.138 165 N CA -0.357 52.137 53.050 -0.928 0.000 0.859 165 N CB 1.935 39.224 38.487 -1.997 0.000 1.414 165 N HN 0.454 nan 8.380 nan 0.000 0.529 166 R N 2.064 122.335 120.500 -0.382 0.000 2.241 166 R HA 0.043 4.382 4.340 -0.002 0.000 0.224 166 R C 0.087 176.031 176.300 -0.593 0.000 1.101 166 R CA 0.933 56.800 56.100 -0.388 0.000 0.995 166 R CB -0.125 30.002 30.300 -0.288 0.000 0.870 166 R HN 0.278 nan 8.270 nan 0.000 0.463 167 N N 0.101 118.478 118.700 -0.539 0.000 2.521 167 N HA -0.065 4.674 4.740 -0.002 0.000 0.188 167 N C -0.538 174.705 175.510 -0.445 0.000 1.146 167 N CA 0.494 53.204 53.050 -0.567 0.000 0.893 167 N CB 0.110 38.487 38.487 -0.182 0.000 0.975 167 N HN 0.314 nan 8.380 nan 0.000 0.451 168 W N 1.466 122.471 121.300 -0.493 0.000 1.496 168 W HA 0.242 4.900 4.660 -0.003 0.000 0.422 168 W C 0.471 176.793 176.519 -0.327 0.000 0.638 168 W CA -1.350 55.809 57.345 -0.310 0.000 2.105 168 W CB -1.279 28.064 29.460 -0.195 0.000 1.639 168 W HN 0.053 nan 8.180 nan 0.000 0.304 169 Y N 0.449 120.705 120.300 -0.073 0.000 2.145 169 Y HA -0.187 4.363 4.550 -0.001 0.000 0.286 169 Y C 1.920 177.655 175.900 -0.276 0.000 1.145 169 Y CA 1.581 59.445 58.100 -0.393 0.000 1.148 169 Y CB -0.628 37.198 38.460 -1.057 0.000 0.981 169 Y HN 0.025 nan 8.280 nan 0.000 0.507 170 S N -0.978 114.754 115.700 0.054 0.000 2.709 170 S HA 0.213 4.683 4.470 -0.002 0.000 0.302 170 S C 0.569 175.195 174.600 0.044 0.000 1.127 170 S CA -0.289 57.977 58.200 0.110 0.000 0.905 170 S CB 1.653 65.010 63.200 0.260 0.000 1.151 170 S HN 0.292 nan 8.310 nan 0.000 0.510 171 D N 0.938 121.348 120.400 0.016 0.000 2.218 171 D HA -0.095 4.544 4.640 -0.002 0.000 0.204 171 D C 1.865 178.130 176.300 -0.058 0.000 0.976 171 D CA 1.445 55.413 54.000 -0.054 0.000 0.853 171 D CB -0.984 39.785 40.800 -0.051 0.000 0.939 171 D HN 0.673 nan 8.370 nan 0.000 0.481 172 A N 0.982 123.809 122.820 0.012 0.000 2.024 172 A HA -0.200 4.119 4.320 -0.002 0.000 0.220 172 A C 1.772 179.363 177.584 0.012 0.000 1.164 172 A CA 1.761 53.813 52.037 0.025 0.000 0.643 172 A CB -0.322 18.727 19.000 0.081 0.000 0.806 172 A HN 0.160 nan 8.150 nan 0.000 0.451 173 D N -0.774 119.633 120.400 0.012 0.000 2.305 173 D HA 0.092 4.732 4.640 -0.002 0.000 0.206 173 D C 0.224 176.405 176.300 -0.198 0.000 0.974 173 D CA 0.368 54.382 54.000 0.023 0.000 0.871 173 D CB 0.104 40.993 40.800 0.147 0.000 0.947 173 D HN 0.203 nan 8.370 nan 0.000 0.516 174 V N 3.400 123.047 119.914 -0.444 0.000 2.461 174 V HA 0.171 4.290 4.120 -0.002 0.000 0.275 174 V C -2.058 173.725 176.094 -0.518 0.000 1.047 174 V CA -1.508 60.239 62.300 -0.923 0.000 0.955 174 V CB 1.160 32.441 31.823 -0.903 0.000 0.988 174 V HN -0.102 nan 8.190 nan 0.000 0.471 175 P HA 0.142 nan 4.420 nan 0.000 0.269 175 P C 0.691 177.860 177.300 -0.219 0.000 1.209 175 P CA -0.023 62.944 63.100 -0.221 0.000 0.776 175 P CB 0.757 32.383 31.700 -0.123 0.000 0.876 176 A N 2.571 125.309 122.820 -0.137 0.000 1.917 176 A HA -0.232 4.088 4.320 -0.002 0.000 0.219 176 A C 2.169 179.687 177.584 -0.111 0.000 1.182 176 A CA 2.509 54.477 52.037 -0.114 0.000 0.633 176 A CB -1.822 17.134 19.000 -0.073 0.000 0.819 176 A HN 0.639 nan 8.150 nan 0.000 0.448 177 S N 0.244 115.888 115.700 -0.094 0.000 2.370 177 S HA -0.021 4.448 4.470 -0.002 0.000 0.226 177 S C 2.089 176.632 174.600 -0.095 0.000 1.033 177 S CA 1.434 59.590 58.200 -0.074 0.000 1.011 177 S CB -0.773 62.399 63.200 -0.047 0.000 0.852 177 S HN 0.963 nan 8.310 nan 0.000 0.457 178 A N 2.379 125.107 122.820 -0.153 0.000 1.929 178 A HA 0.032 4.351 4.320 -0.002 0.000 0.216 178 A C 2.388 179.845 177.584 -0.212 0.000 1.176 178 A CA 0.993 52.913 52.037 -0.195 0.000 0.628 178 A CB -0.523 18.247 19.000 -0.383 0.000 0.816 178 A HN 0.527 nan 8.150 nan 0.000 0.444 179 R N -0.471 119.887 120.500 -0.237 0.000 2.073 179 R HA -0.183 4.156 4.340 -0.002 0.000 0.234 179 R C 2.398 178.633 176.300 -0.109 0.000 1.134 179 R CA 1.789 57.782 56.100 -0.178 0.000 0.952 179 R CB -0.438 29.762 30.300 -0.166 0.000 0.850 179 R HN 0.676 nan 8.270 nan 0.000 0.433 180 Q N 0.583 120.328 119.800 -0.092 0.000 2.135 180 Q HA -0.181 4.158 4.340 -0.002 0.000 0.204 180 Q C 1.473 177.443 176.000 -0.050 0.000 0.981 180 Q CA 1.491 57.257 55.803 -0.061 0.000 0.856 180 Q CB 0.015 28.722 28.738 -0.052 0.000 0.902 180 Q HN 0.436 nan 8.270 nan 0.000 0.425 181 E N -1.009 119.160 120.200 -0.052 0.000 2.511 181 E HA 0.028 4.377 4.350 -0.002 0.000 0.196 181 E C 0.612 177.196 176.600 -0.027 0.000 1.066 181 E CA 0.295 56.676 56.400 -0.033 0.000 0.871 181 E CB 0.301 29.988 29.700 -0.022 0.000 0.863 181 E HN 0.505 nan 8.360 nan 0.000 0.520 182 G N 0.718 109.494 108.800 -0.039 0.000 2.132 182 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.234 182 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.234 182 G C 0.159 175.051 174.900 -0.014 0.000 0.989 182 G CA -0.180 44.903 45.100 -0.027 0.000 0.676 182 G HN 0.310 nan 8.290 nan 0.000 0.522 183 c N 1.872 120.457 118.600 -0.025 0.000 2.464 183 c HA 0.485 5.054 4.570 -0.002 0.000 0.370 183 c C 0.993 175.074 174.090 -0.014 0.000 1.267 183 c CA -0.342 56.003 56.329 0.027 0.000 1.781 183 c CB -0.044 42.525 42.510 0.098 0.000 2.431 183 c HN 0.567 nan 8.230 nan 0.000 0.556 184 Q N 3.108 122.931 119.800 0.039 0.000 2.259 184 Q HA 0.217 4.556 4.340 -0.002 0.000 0.249 184 Q C 0.292 176.330 176.000 0.064 0.000 0.914 184 Q CA -0.138 55.682 55.803 0.028 0.000 0.904 184 Q CB 1.106 29.873 28.738 0.048 0.000 1.213 184 Q HN 0.732 nan 8.270 nan 0.000 0.428 185 D N 1.671 122.086 120.400 0.025 0.000 2.361 185 D HA -0.034 4.605 4.640 -0.002 0.000 0.239 185 D C 0.737 177.090 176.300 0.088 0.000 1.200 185 D CA -0.079 53.957 54.000 0.061 0.000 0.915 185 D CB 1.144 41.955 40.800 0.017 0.000 1.170 185 D HN 0.486 nan 8.370 nan 0.000 0.444 186 I N 0.764 121.388 120.570 0.090 0.000 2.315 186 I HA -0.237 3.933 4.170 -0.002 0.000 0.248 186 I C 2.734 178.946 176.117 0.160 0.000 1.117 186 I CA 1.370 62.745 61.300 0.124 0.000 1.404 186 I CB -0.370 37.674 38.000 0.074 0.000 1.071 186 I HN 0.555 nan 8.210 nan 0.000 0.419 187 A N 0.502 123.380 122.820 0.096 0.000 1.908 187 A HA -0.233 4.086 4.320 -0.002 0.000 0.218 187 A C 2.403 179.999 177.584 0.020 0.000 1.181 187 A CA 2.598 54.673 52.037 0.063 0.000 0.627 187 A CB -1.161 17.884 19.000 0.076 0.000 0.818 187 A HN 0.382 nan 8.150 nan 0.000 0.445 188 T N 0.053 114.627 114.554 0.033 0.000 2.708 188 T HA -0.185 4.164 4.350 -0.002 0.000 0.266 188 T C 2.055 176.781 174.700 0.043 0.000 1.037 188 T CA 1.699 63.812 62.100 0.023 0.000 1.146 188 T CB -0.308 68.574 68.868 0.023 0.000 0.865 188 T HN 0.614 nan 8.240 nan 0.000 0.435 189 Q N 0.213 120.070 119.800 0.094 0.000 2.135 189 Q HA -0.095 4.245 4.340 -0.002 0.000 0.204 189 Q C 2.379 178.435 176.000 0.093 0.000 0.981 189 Q CA 1.036 56.928 55.803 0.149 0.000 0.856 189 Q CB -0.430 28.441 28.738 0.222 0.000 0.902 189 Q HN 0.362 nan 8.270 nan 0.000 0.425 190 L N 1.217 122.409 121.223 -0.053 0.000 2.042 190 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 190 L C 2.060 178.754 176.870 -0.293 0.000 1.076 190 L CA 1.699 56.209 54.840 -0.550 0.000 0.749 190 L CB -0.300 41.486 42.059 -0.455 0.000 0.893 190 L HN 0.354 nan 8.230 nan 0.000 0.432 191 I N -4.392 116.122 120.570 -0.094 0.000 3.603 191 I HA 0.110 4.279 4.170 -0.002 0.000 0.297 191 I C 2.024 178.215 176.117 0.123 0.000 1.269 191 I CA 0.959 62.314 61.300 0.092 0.000 1.361 191 I CB -0.048 38.026 38.000 0.124 0.000 1.063 191 I HN 0.234 nan 8.210 nan 0.000 0.448 192 S N 0.504 116.241 115.700 0.062 0.000 2.564 192 S HA 0.137 4.606 4.470 -0.002 0.000 0.231 192 S C 1.497 176.138 174.600 0.067 0.000 1.067 192 S CA 0.187 58.424 58.200 0.061 0.000 0.908 192 S CB -0.503 62.725 63.200 0.047 0.000 0.809 192 S HN 0.521 nan 8.310 nan 0.000 0.491 193 N N 0.922 119.675 118.700 0.088 0.000 2.142 193 N HA 0.102 4.841 4.740 -0.002 0.000 0.186 193 N C 0.605 176.172 175.510 0.095 0.000 1.023 193 N CA 1.331 54.449 53.050 0.112 0.000 0.852 193 N CB -0.035 38.558 38.487 0.176 0.000 0.998 193 N HN 0.584 nan 8.380 nan 0.000 0.424 194 M N -1.492 118.161 119.600 0.089 0.000 2.682 194 M HA 0.321 4.800 4.480 -0.002 0.000 0.272 194 M C -2.105 174.253 176.300 0.097 0.000 1.232 194 M CA -0.956 54.393 55.300 0.082 0.000 0.849 194 M CB 2.113 34.763 32.600 0.085 0.000 1.695 194 M HN -0.328 nan 8.290 nan 0.000 0.481 195 D N 1.614 122.074 120.400 0.099 0.000 2.348 195 D HA 0.545 5.184 4.640 -0.002 0.000 0.253 195 D C -1.327 175.087 176.300 0.190 0.000 1.161 195 D CA 0.153 54.241 54.000 0.147 0.000 0.876 195 D CB 0.590 41.465 40.800 0.125 0.000 1.160 195 D HN 0.594 nan 8.370 nan 0.000 0.459 196 I N 3.755 124.496 120.570 0.284 0.000 2.418 196 I HA 0.175 4.344 4.170 -0.002 0.000 0.287 196 I C 0.755 177.088 176.117 0.359 0.000 1.008 196 I CA -0.676 60.778 61.300 0.256 0.000 1.104 196 I CB 2.020 40.121 38.000 0.169 0.000 1.264 196 I HN 0.403 nan 8.210 nan 0.000 0.438 197 D N 4.259 124.770 120.400 0.185 0.000 2.194 197 D HA 0.014 4.653 4.640 -0.002 0.000 0.204 197 D C 0.277 176.664 176.300 0.145 0.000 0.964 197 D CA 1.489 55.495 54.000 0.010 0.000 0.846 197 D CB 0.759 41.483 40.800 -0.127 0.000 0.962 197 D HN 0.156 nan 8.370 nan 0.000 0.490 198 V N 1.578 121.586 119.914 0.156 0.000 2.623 198 V HA 0.361 4.480 4.120 -0.002 0.000 0.304 198 V C -0.557 175.609 176.094 0.120 0.000 1.054 198 V CA -0.596 61.787 62.300 0.137 0.000 0.882 198 V CB 2.568 34.439 31.823 0.080 0.000 1.002 198 V HN -0.071 nan 8.190 nan 0.000 0.424 199 I N 6.195 126.804 120.570 0.066 0.000 2.468 199 I HA 0.541 4.710 4.170 -0.002 0.000 0.284 199 I C -1.065 175.072 176.117 0.033 0.000 1.038 199 I CA -0.240 61.066 61.300 0.009 0.000 1.083 199 I CB 1.625 39.522 38.000 -0.173 0.000 1.223 199 I HN 0.332 nan 8.210 nan 0.000 0.443 200 L N 6.152 127.447 121.223 0.119 0.000 2.438 200 L HA 0.928 5.267 4.340 -0.002 0.000 0.270 200 L C 0.204 177.222 176.870 0.246 0.000 0.972 200 L CA -0.345 54.620 54.840 0.210 0.000 0.831 200 L CB 1.968 44.191 42.059 0.274 0.000 1.273 200 L HN 0.816 nan 8.230 nan 0.000 0.405 201 G N 1.636 110.607 108.800 0.285 0.000 2.455 201 G HA2 0.391 4.350 3.960 -0.002 0.000 0.223 201 G HA3 0.391 4.350 3.960 -0.002 0.000 0.223 201 G C -0.847 174.204 174.900 0.252 0.000 1.226 201 G CA -0.019 45.251 45.100 0.284 0.000 0.948 201 G HN 0.784 nan 8.290 nan 0.000 0.478 202 G N -1.963 106.955 108.800 0.197 0.000 2.568 202 G HA2 0.643 4.602 3.960 -0.002 0.000 0.293 202 G HA3 0.643 4.602 3.960 -0.002 0.000 0.293 202 G C 0.979 175.972 174.900 0.155 0.000 1.347 202 G CA 0.607 45.809 45.100 0.171 0.000 1.039 202 G HN 2.367 nan 8.290 nan 0.000 0.523 203 G N -1.399 107.484 108.800 0.138 0.000 2.145 203 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.176 203 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.176 203 G C 1.097 176.057 174.900 0.100 0.000 1.013 203 G CA 0.558 45.758 45.100 0.167 0.000 0.689 203 G HN 0.645 nan 8.290 nan 0.000 0.506 204 R N 0.555 121.106 120.500 0.086 0.000 2.103 204 R HA -0.152 4.187 4.340 -0.002 0.000 0.242 204 R C 2.768 179.150 176.300 0.137 0.000 1.142 204 R CA 1.952 58.156 56.100 0.172 0.000 0.960 204 R CB -0.281 30.145 30.300 0.210 0.000 0.858 204 R HN 0.692 nan 8.270 nan 0.000 0.439 205 K N -0.392 119.947 120.400 -0.102 0.000 2.211 205 K HA -0.147 4.172 4.320 -0.002 0.000 0.203 205 K C 1.292 177.816 176.600 -0.127 0.000 1.050 205 K CA 1.482 57.679 56.287 -0.150 0.000 0.945 205 K CB -0.245 32.053 32.500 -0.337 0.000 0.732 205 K HN 0.310 nan 8.250 nan 0.000 0.451 206 Y N 0.487 120.828 120.300 0.069 0.000 2.583 206 Y HA 0.107 4.656 4.550 -0.002 0.000 0.293 206 Y C 1.878 177.752 175.900 -0.043 0.000 1.157 206 Y CA -0.148 57.974 58.100 0.037 0.000 1.315 206 Y CB 0.108 38.604 38.460 0.060 0.000 1.021 206 Y HN 0.015 nan 8.280 nan 0.000 0.536 207 M N -1.030 118.544 119.600 -0.043 0.000 2.441 207 M HA 0.173 4.652 4.480 -0.002 0.000 0.244 207 M C -0.883 175.057 176.300 -0.599 0.000 1.122 207 M CA 0.491 55.554 55.300 -0.394 0.000 1.041 207 M CB -0.467 31.701 32.600 -0.721 0.000 1.438 207 M HN -0.001 nan 8.290 nan 0.000 0.484 208 F N 0.759 120.696 119.950 -0.023 0.000 2.588 208 F HA 0.463 4.989 4.527 -0.002 0.000 0.314 208 F C 0.723 176.507 175.800 -0.028 0.000 1.069 208 F CA -1.588 56.386 58.000 -0.044 0.000 0.931 208 F CB 1.002 39.960 39.000 -0.069 0.000 1.260 208 F HN -0.009 nan 8.300 nan 0.000 0.465 209 R N 2.215 122.814 120.500 0.165 0.000 2.679 209 R HA 0.311 4.650 4.340 -0.002 0.000 0.268 209 R C -0.006 176.328 176.300 0.057 0.000 1.044 209 R CA -0.578 55.569 56.100 0.079 0.000 1.105 209 R CB 0.530 30.860 30.300 0.049 0.000 0.989 209 R HN 0.840 nan 8.270 nan 0.000 0.447 210 M N 2.683 122.303 119.600 0.033 0.000 2.255 210 M HA -0.044 4.435 4.480 -0.002 0.000 0.356 210 M C 0.852 177.139 176.300 -0.021 0.000 1.338 210 M CA 2.519 57.824 55.300 0.009 0.000 0.962 210 M CB 0.216 32.820 32.600 0.007 0.000 1.877 210 M HN 1.098 nan 8.290 nan 0.000 0.463 211 G N 2.552 111.322 108.800 -0.050 0.000 2.213 211 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.236 211 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.236 211 G C 0.113 174.946 174.900 -0.112 0.000 0.991 211 G CA 0.199 45.240 45.100 -0.099 0.000 0.629 211 G HN 0.688 nan 8.290 nan 0.000 0.517 212 T N 3.994 118.499 114.554 -0.081 0.000 2.752 212 T HA 0.487 4.836 4.350 -0.002 0.000 0.295 212 T C -2.089 172.511 174.700 -0.167 0.000 0.923 212 T CA -0.451 61.572 62.100 -0.128 0.000 1.112 212 T CB 1.545 70.343 68.868 -0.116 0.000 0.884 212 T HN 0.156 nan 8.240 nan 0.000 0.525 213 P HA 0.121 nan 4.420 nan 0.000 0.268 213 P C -0.166 177.003 177.300 -0.219 0.000 1.204 213 P CA -0.355 62.653 63.100 -0.153 0.000 0.768 213 P CB 0.412 32.031 31.700 -0.135 0.000 0.842 214 D N 3.887 124.197 120.400 -0.150 0.000 2.424 214 D HA 0.027 4.666 4.640 -0.002 0.000 0.244 214 D C -1.011 175.104 176.300 -0.308 0.000 1.134 214 D CA -1.478 52.407 54.000 -0.193 0.000 0.881 214 D CB 0.569 41.361 40.800 -0.012 0.000 1.191 214 D HN 0.242 nan 8.370 nan 0.000 0.445 215 P HA -0.127 nan 4.420 nan 0.000 0.220 215 P C 0.517 177.377 177.300 -0.734 0.000 1.148 215 P CA 1.146 63.770 63.100 -0.793 0.000 0.803 215 P CB 0.294 31.063 31.700 -1.551 0.000 0.782 216 E N -2.008 117.812 120.200 -0.633 0.000 2.415 216 E HA 0.016 4.365 4.350 -0.002 0.000 0.197 216 E C -0.083 176.054 176.600 -0.771 0.000 1.007 216 E CA 0.275 56.265 56.400 -0.683 0.000 0.890 216 E CB 0.252 29.418 29.700 -0.891 0.000 0.891 216 E HN 0.317 nan 8.360 nan 0.000 0.496 217 Y N -0.388 119.860 120.300 -0.086 0.000 2.501 217 Y HA 0.217 4.766 4.550 -0.001 0.000 0.331 217 Y C -2.012 173.867 175.900 -0.035 0.000 0.950 217 Y CA -1.984 56.092 58.100 -0.041 0.000 1.120 217 Y CB 0.813 39.259 38.460 -0.024 0.000 1.154 217 Y HN 0.049 nan 8.280 nan 0.000 0.630 218 P HA -0.109 nan 4.420 nan 0.000 0.230 218 P C 0.552 177.921 177.300 0.116 0.000 1.158 218 P CA 1.396 64.509 63.100 0.022 0.000 0.769 218 P CB 0.423 32.098 31.700 -0.042 0.000 0.807 219 D N -1.359 119.107 120.400 0.111 0.000 2.368 219 D HA 0.022 4.661 4.640 -0.002 0.000 0.218 219 D C -0.330 175.975 176.300 0.010 0.000 1.112 219 D CA -0.073 53.978 54.000 0.085 0.000 0.834 219 D CB -0.308 40.513 40.800 0.034 0.000 0.953 219 D HN -0.002 nan 8.370 nan 0.000 0.505 220 D N 0.316 120.769 120.400 0.088 0.000 2.446 220 D HA 0.041 4.680 4.640 -0.002 0.000 0.251 220 D C 0.373 176.761 176.300 0.147 0.000 1.137 220 D CA -0.720 53.293 54.000 0.022 0.000 0.890 220 D CB 0.364 41.162 40.800 -0.003 0.000 1.071 220 D HN -0.189 nan 8.370 nan 0.000 0.528 221 Y N 1.451 121.744 120.300 -0.012 0.000 2.333 221 Y HA -0.158 4.391 4.550 -0.002 0.000 0.290 221 Y C 2.574 178.461 175.900 -0.021 0.000 1.144 221 Y CA 1.021 59.111 58.100 -0.016 0.000 1.228 221 Y CB -1.099 37.353 38.460 -0.014 0.000 0.985 221 Y HN 0.435 nan 8.280 nan 0.000 0.542 222 S N -0.430 115.344 115.700 0.123 0.000 2.469 222 S HA -0.162 4.307 4.470 -0.002 0.000 0.238 222 S C 1.408 176.017 174.600 0.015 0.000 0.998 222 S CA 0.936 59.166 58.200 0.050 0.000 0.957 222 S CB -0.235 62.972 63.200 0.012 0.000 0.764 222 S HN 0.389 nan 8.310 nan 0.000 0.514 223 Q N 1.133 120.944 119.800 0.019 0.000 2.360 223 Q HA 0.347 4.686 4.340 -0.002 0.000 0.202 223 Q C 1.106 177.109 176.000 0.006 0.000 0.915 223 Q CA 0.462 56.262 55.803 -0.004 0.000 0.943 223 Q CB -0.191 28.551 28.738 0.007 0.000 1.064 223 Q HN 0.646 nan 8.270 nan 0.000 0.511 224 G N -0.022 108.787 108.800 0.015 0.000 2.563 224 G HA2 0.410 4.369 3.960 -0.002 0.000 0.283 224 G HA3 0.410 4.369 3.960 -0.002 0.000 0.283 224 G C 0.145 175.036 174.900 -0.015 0.000 1.309 224 G CA -0.105 44.986 45.100 -0.015 0.000 1.022 224 G HN 0.197 nan 8.290 nan 0.000 0.501 225 G N -1.796 107.004 108.800 -0.000 0.000 2.484 225 G HA2 0.356 4.315 3.960 -0.002 0.000 0.235 225 G HA3 0.356 4.315 3.960 -0.002 0.000 0.235 225 G C 1.041 175.967 174.900 0.043 0.000 1.282 225 G CA 0.692 45.830 45.100 0.063 0.000 0.857 225 G HN 1.023 nan 8.290 nan 0.000 0.571 226 T N -1.259 113.334 114.554 0.066 0.000 2.985 226 T HA 0.207 4.556 4.350 -0.002 0.000 0.254 226 T C 1.016 175.766 174.700 0.084 0.000 1.021 226 T CA -0.330 61.818 62.100 0.081 0.000 0.957 226 T CB 0.220 69.172 68.868 0.141 0.000 1.047 226 T HN 0.440 nan 8.240 nan 0.000 0.511 227 R N 0.794 121.341 120.500 0.079 0.000 2.543 227 R HA 0.341 4.680 4.340 -0.002 0.000 0.277 227 R C 0.287 176.606 176.300 0.032 0.000 1.074 227 R CA -0.553 55.582 56.100 0.058 0.000 1.076 227 R CB 0.668 30.994 30.300 0.044 0.000 0.993 227 R HN 0.077 nan 8.270 nan 0.000 0.459 228 L N 2.115 123.348 121.223 0.017 0.000 2.477 228 L HA -0.037 4.302 4.340 -0.002 0.000 0.220 228 L C 1.326 178.193 176.870 -0.005 0.000 1.106 228 L CA 1.385 56.227 54.840 0.002 0.000 0.851 228 L CB -0.499 41.554 42.059 -0.010 0.000 0.994 228 L HN 0.659 nan 8.230 nan 0.000 0.462 229 D N -1.658 118.738 120.400 -0.006 0.000 2.328 229 D HA 0.134 4.773 4.640 -0.002 0.000 0.221 229 D C 1.553 177.848 176.300 -0.007 0.000 1.072 229 D CA 0.651 54.644 54.000 -0.012 0.000 0.850 229 D CB -0.020 40.769 40.800 -0.018 0.000 0.922 229 D HN 0.198 nan 8.370 nan 0.000 0.516 230 G N 0.271 109.071 108.800 -0.000 0.000 2.184 230 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.264 230 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.264 230 G C 0.173 175.076 174.900 0.006 0.000 0.975 230 G CA 0.272 45.374 45.100 0.003 0.000 0.642 230 G HN 0.462 nan 8.290 nan 0.000 0.536 231 K N 0.388 120.786 120.400 -0.002 0.000 2.174 231 K HA 0.333 4.652 4.320 -0.002 0.000 0.275 231 K C -0.315 176.271 176.600 -0.023 0.000 1.015 231 K CA -0.679 55.600 56.287 -0.014 0.000 0.933 231 K CB 0.721 33.205 32.500 -0.026 0.000 1.025 231 K HN 0.105 nan 8.250 nan 0.000 0.463 232 N N 4.059 122.741 118.700 -0.031 0.000 2.609 232 N HA 0.110 4.849 4.740 -0.002 0.000 0.234 232 N C 0.501 175.913 175.510 -0.163 0.000 1.001 232 N CA -0.101 52.901 53.050 -0.080 0.000 0.926 232 N CB 0.527 39.032 38.487 0.030 0.000 1.130 232 N HN 0.548 nan 8.380 nan 0.000 0.510 233 L N 2.323 123.382 121.223 -0.274 0.000 2.217 233 L HA -0.060 4.279 4.340 -0.002 0.000 0.211 233 L C 1.935 178.682 176.870 -0.206 0.000 1.107 233 L CA 0.527 55.245 54.840 -0.203 0.000 0.783 233 L CB -0.022 41.917 42.059 -0.199 0.000 0.919 233 L HN 0.314 nan 8.230 nan 0.000 0.442 234 V N -0.494 119.181 119.914 -0.399 0.000 2.307 234 V HA -0.292 3.827 4.120 -0.002 0.000 0.245 234 V C 2.473 178.528 176.094 -0.066 0.000 1.045 234 V CA 1.673 63.776 62.300 -0.327 0.000 1.024 234 V CB -0.390 31.032 31.823 -0.669 0.000 0.651 234 V HN 0.375 nan 8.190 nan 0.000 0.449 235 Q N 0.124 119.884 119.800 -0.066 0.000 2.124 235 Q HA -0.197 4.142 4.340 -0.002 0.000 0.202 235 Q C 2.168 178.183 176.000 0.026 0.000 0.977 235 Q CA 1.828 57.638 55.803 0.012 0.000 0.850 235 Q CB -0.254 28.495 28.738 0.019 0.000 0.901 235 Q HN 0.695 nan 8.270 nan 0.000 0.429 236 E N -1.402 118.806 120.200 0.013 0.000 2.077 236 E HA -0.215 4.134 4.350 -0.002 0.000 0.193 236 E C 1.562 178.201 176.600 0.065 0.000 0.989 236 E CA 1.083 57.497 56.400 0.023 0.000 0.800 236 E CB -0.337 29.369 29.700 0.010 0.000 0.746 236 E HN 0.482 nan 8.360 nan 0.000 0.452 237 W N 1.526 122.768 121.300 -0.097 0.000 2.379 237 W HA -0.123 4.536 4.660 -0.002 0.000 0.307 237 W C 1.822 178.297 176.519 -0.073 0.000 1.200 237 W CA 1.181 58.475 57.345 -0.086 0.000 1.297 237 W CB -0.223 29.184 29.460 -0.089 0.000 1.140 237 W HN -0.060 nan 8.180 nan 0.000 0.507 238 L N 0.595 121.912 121.223 0.158 0.000 2.079 238 L HA -0.218 4.122 4.340 -0.002 0.000 0.210 238 L C 2.683 179.478 176.870 -0.125 0.000 1.081 238 L CA 1.456 56.289 54.840 -0.012 0.000 0.752 238 L CB -1.390 40.741 42.059 0.120 0.000 0.896 238 L HN 0.101 nan 8.230 nan 0.000 0.433 239 A N -0.139 122.636 122.820 -0.075 0.000 1.972 239 A HA -0.199 4.120 4.320 -0.002 0.000 0.219 239 A C 2.214 179.717 177.584 -0.135 0.000 1.169 239 A CA 1.489 53.478 52.037 -0.080 0.000 0.635 239 A CB -0.304 18.669 19.000 -0.044 0.000 0.810 239 A HN 0.286 nan 8.150 nan 0.000 0.446 240 K N -0.535 119.746 120.400 -0.198 0.000 2.525 240 K HA 0.036 4.355 4.320 -0.002 0.000 0.192 240 K C -0.273 176.137 176.600 -0.315 0.000 1.029 240 K CA 0.346 56.496 56.287 -0.229 0.000 1.029 240 K CB 0.098 32.462 32.500 -0.226 0.000 0.814 240 K HN 0.591 nan 8.250 nan 0.000 0.503 241 R N -0.095 120.181 120.500 -0.373 0.000 2.548 241 R HA 0.233 4.572 4.340 -0.002 0.000 0.280 241 R C -1.103 175.024 176.300 -0.289 0.000 1.061 241 R CA -0.803 55.031 56.100 -0.443 0.000 0.915 241 R CB 1.125 30.909 30.300 -0.860 0.000 1.210 241 R HN -0.086 nan 8.270 nan 0.000 0.442 242 Q N 0.668 120.355 119.800 -0.189 0.000 2.327 242 Q HA 0.275 4.614 4.340 -0.002 0.000 0.254 242 Q C 0.720 176.687 176.000 -0.056 0.000 0.952 242 Q CA 1.240 56.986 55.803 -0.096 0.000 0.884 242 Q CB 1.197 29.902 28.738 -0.054 0.000 1.224 242 Q HN 0.959 nan 8.270 nan 0.000 0.422 243 G N 1.534 110.324 108.800 -0.016 0.000 2.160 243 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.251 243 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.251 243 G C -0.020 174.915 174.900 0.058 0.000 1.008 243 G CA 0.167 45.287 45.100 0.034 0.000 0.724 243 G HN 0.794 nan 8.290 nan 0.000 0.514 244 A N -0.666 122.152 122.820 -0.003 0.000 2.304 244 A HA 0.918 5.237 4.320 -0.002 0.000 0.301 244 A C 0.404 178.083 177.584 0.158 0.000 1.132 244 A CA 0.153 52.213 52.037 0.038 0.000 0.819 244 A CB 0.898 19.759 19.000 -0.233 0.000 1.094 244 A HN 0.835 nan 8.150 nan 0.000 0.492 245 R N 0.033 120.705 120.500 0.287 0.000 2.673 245 R HA 0.503 4.842 4.340 -0.002 0.000 0.281 245 R C -2.040 174.492 176.300 0.388 0.000 0.991 245 R CA -0.504 55.761 56.100 0.274 0.000 0.896 245 R CB 1.473 31.877 30.300 0.174 0.000 1.201 245 R HN 0.783 nan 8.270 nan 0.000 0.457 246 Y N 4.578 125.001 120.300 0.204 0.000 2.352 246 Y HA 0.606 5.155 4.550 -0.001 0.000 0.339 246 Y C -1.182 174.790 175.900 0.120 0.000 0.992 246 Y CA -0.629 57.565 58.100 0.156 0.000 1.100 246 Y CB 1.468 40.036 38.460 0.179 0.000 1.192 246 Y HN 0.396 nan 8.280 nan 0.000 0.458 247 V N 4.104 123.677 119.914 -0.568 0.000 2.962 247 V HA 0.514 4.634 4.120 -0.002 0.000 0.313 247 V C -0.828 174.807 176.094 -0.764 0.000 1.099 247 V CA -0.785 61.190 62.300 -0.542 0.000 0.971 247 V CB 2.043 33.724 31.823 -0.238 0.000 1.028 247 V HN 1.062 nan 8.190 nan 0.000 0.430 248 W N 2.826 123.805 121.300 -0.536 0.000 2.518 248 W HA 0.439 5.098 4.660 -0.001 0.000 0.352 248 W C -0.349 176.180 176.519 0.016 0.000 0.952 248 W CA 0.218 57.315 57.345 -0.413 0.000 1.624 248 W CB -0.590 28.701 29.460 -0.282 0.000 1.135 248 W HN 0.877 nan 8.180 nan 0.000 0.540 249 N N -0.164 118.381 118.700 -0.259 0.000 2.647 249 N HA 0.280 5.019 4.740 -0.002 0.000 0.266 249 N C 0.523 176.028 175.510 -0.008 0.000 1.373 249 N CA -0.811 52.177 53.050 -0.103 0.000 0.807 249 N CB 1.305 39.446 38.487 -0.576 0.000 1.513 249 N HN -0.166 nan 8.380 nan 0.000 0.505 250 R N -0.707 119.728 120.500 -0.108 0.000 2.081 250 R HA -0.142 4.198 4.340 -0.002 0.000 0.235 250 R C 1.047 177.273 176.300 -0.123 0.000 1.131 250 R CA 2.628 58.628 56.100 -0.168 0.000 0.960 250 R CB -0.752 29.442 30.300 -0.176 0.000 0.856 250 R HN 0.861 nan 8.270 nan 0.000 0.436 251 T N -0.714 113.757 114.554 -0.139 0.000 2.777 251 T HA -0.058 4.291 4.350 -0.002 0.000 0.266 251 T C 1.576 176.211 174.700 -0.109 0.000 1.040 251 T CA 0.972 63.002 62.100 -0.117 0.000 1.141 251 T CB -0.217 68.578 68.868 -0.122 0.000 0.868 251 T HN 0.218 nan 8.240 nan 0.000 0.444 252 E N 1.136 121.246 120.200 -0.150 0.000 2.106 252 E HA 0.016 4.365 4.350 -0.002 0.000 0.192 252 E C 2.184 178.749 176.600 -0.058 0.000 0.984 252 E CA 0.513 56.836 56.400 -0.129 0.000 0.806 252 E CB -0.536 29.029 29.700 -0.224 0.000 0.750 252 E HN 0.421 nan 8.360 nan 0.000 0.458 253 L N 0.531 121.746 121.223 -0.013 0.000 2.012 253 L HA -0.168 4.171 4.340 -0.002 0.000 0.210 253 L C 2.105 178.981 176.870 0.009 0.000 1.073 253 L CA 1.685 56.558 54.840 0.055 0.000 0.748 253 L CB -0.413 41.717 42.059 0.119 0.000 0.891 253 L HN 0.022 nan 8.230 nan 0.000 0.431 254 M N -0.964 118.620 119.600 -0.027 0.000 2.175 254 M HA -0.147 4.332 4.480 -0.002 0.000 0.264 254 M C 2.277 178.564 176.300 -0.022 0.000 1.063 254 M CA 1.420 56.702 55.300 -0.030 0.000 1.119 254 M CB -1.284 31.288 32.600 -0.047 0.000 1.377 254 M HN 0.414 nan 8.290 nan 0.000 0.415 255 Q N -0.086 119.699 119.800 -0.026 0.000 2.030 255 Q HA -0.138 4.201 4.340 -0.002 0.000 0.204 255 Q C 2.214 178.212 176.000 -0.004 0.000 0.986 255 Q CA 2.025 57.817 55.803 -0.019 0.000 0.843 255 Q CB -0.321 28.401 28.738 -0.027 0.000 0.904 255 Q HN 0.582 nan 8.270 nan 0.000 0.420 256 A N 0.897 123.719 122.820 0.004 0.000 1.933 256 A HA -0.206 4.113 4.320 -0.002 0.000 0.218 256 A C 2.209 179.807 177.584 0.023 0.000 1.175 256 A CA 1.824 53.874 52.037 0.023 0.000 0.628 256 A CB -0.694 18.329 19.000 0.039 0.000 0.814 256 A HN 0.483 nan 8.150 nan 0.000 0.444 257 S N -0.379 115.330 115.700 0.016 0.000 2.447 257 S HA 0.024 4.493 4.470 -0.002 0.000 0.233 257 S C 1.537 176.137 174.600 0.000 0.000 1.006 257 S CA 1.230 59.435 58.200 0.009 0.000 0.957 257 S CB -0.480 62.721 63.200 0.001 0.000 0.773 257 S HN 0.449 nan 8.310 nan 0.000 0.507 258 L N 0.868 122.091 121.223 -0.001 0.000 2.567 258 L HA 0.293 4.633 4.340 -0.002 0.000 0.225 258 L C 0.462 177.334 176.870 0.003 0.000 1.119 258 L CA 0.074 54.913 54.840 -0.002 0.000 0.871 258 L CB -0.125 41.931 42.059 -0.006 0.000 1.036 258 L HN 0.227 nan 8.230 nan 0.000 0.459 259 D N 2.247 122.652 120.400 0.009 0.000 2.396 259 D HA 0.190 4.829 4.640 -0.002 0.000 0.225 259 D C -2.180 174.130 176.300 0.016 0.000 1.121 259 D CA -2.071 51.937 54.000 0.013 0.000 0.853 259 D CB 1.308 42.119 40.800 0.018 0.000 1.043 259 D HN -0.059 nan 8.370 nan 0.000 0.500 260 P HA 0.046 nan 4.420 nan 0.000 0.272 260 P C 0.411 177.723 177.300 0.020 0.000 1.240 260 P CA 0.200 63.308 63.100 0.014 0.000 0.791 260 P CB 1.025 32.732 31.700 0.011 0.000 0.978 261 S N -1.328 114.385 115.700 0.023 0.000 2.261 261 S HA -0.196 4.273 4.470 -0.002 0.000 0.247 261 S C 1.088 175.712 174.600 0.040 0.000 1.195 261 S CA 1.196 59.413 58.200 0.028 0.000 1.464 261 S CB -2.376 60.838 63.200 0.023 0.000 1.835 261 S HN 0.138 nan 8.310 nan 0.000 0.598 262 V N 2.596 122.537 119.914 0.044 0.000 2.244 262 V HA -0.055 4.064 4.120 -0.002 0.000 0.244 262 V C 2.736 178.880 176.094 0.084 0.000 1.042 262 V CA 3.452 65.791 62.300 0.066 0.000 1.006 262 V CB -1.597 30.267 31.823 0.068 0.000 0.641 262 V HN 1.816 nan 8.190 nan 0.000 0.446 263 T N -2.684 111.902 114.554 0.053 0.000 11.701 263 T HA -0.377 3.972 4.350 -0.002 0.000 0.417 263 T C 0.367 175.021 174.700 -0.077 0.000 1.459 263 T CA 1.969 64.082 62.100 0.021 0.000 2.421 263 T CB -1.540 67.383 68.868 0.092 0.000 2.867 263 T HN 0.641 nan 8.240 nan 0.000 0.931 264 H N 0.423 119.530 119.070 0.062 0.000 2.667 264 H HA 0.738 5.293 4.556 -0.002 0.000 0.353 264 H C -1.077 174.440 175.328 0.315 0.000 1.072 264 H CA -0.599 55.535 56.048 0.144 0.000 1.214 264 H CB 1.773 31.488 29.762 -0.078 0.000 1.600 264 H HN 0.376 nan 8.280 nan 0.000 0.527 265 L N 4.213 125.730 121.223 0.491 0.000 2.439 265 L HA 0.418 4.757 4.340 -0.002 0.000 0.270 265 L C -1.151 175.874 176.870 0.259 0.000 0.972 265 L CA -0.459 54.595 54.840 0.357 0.000 0.836 265 L CB 1.869 44.038 42.059 0.184 0.000 1.255 265 L HN 0.662 nan 8.230 nan 0.000 0.404 266 M N 4.366 124.052 119.600 0.143 0.000 2.181 266 M HA 0.754 5.233 4.480 -0.002 0.000 0.323 266 M C -0.774 175.480 176.300 -0.077 0.000 1.004 266 M CA -0.380 54.840 55.300 -0.133 0.000 0.941 266 M CB 1.485 33.768 32.600 -0.529 0.000 1.579 266 M HN 0.782 nan 8.290 nan 0.000 0.427 267 G N 5.568 114.257 108.800 -0.186 0.000 2.675 267 G HA2 0.618 4.577 3.960 -0.002 0.000 0.297 267 G HA3 0.618 4.577 3.960 -0.002 0.000 0.297 267 G C -1.916 172.460 174.900 -0.874 0.000 1.399 267 G CA -0.355 44.404 45.100 -0.569 0.000 0.981 267 G HN 0.522 nan 8.290 nan 0.000 0.519 268 L N 2.722 123.426 121.223 -0.865 0.000 2.372 268 L HA 0.529 4.868 4.340 -0.002 0.000 0.273 268 L C -0.069 176.555 176.870 -0.410 0.000 0.989 268 L CA -0.916 53.666 54.840 -0.430 0.000 0.841 268 L CB 1.215 43.282 42.059 0.014 0.000 1.225 268 L HN 0.627 nan 8.230 nan 0.000 0.414 269 F N 0.383 120.416 119.950 0.138 0.000 2.704 269 F HA 0.323 4.849 4.527 -0.001 0.000 0.304 269 F C 0.891 176.795 175.800 0.172 0.000 1.094 269 F CA -0.014 58.072 58.000 0.144 0.000 1.275 269 F CB 0.826 39.877 39.000 0.084 0.000 1.073 269 F HN 0.344 nan 8.300 nan 0.000 0.586 270 E N -0.668 119.698 120.200 0.277 0.000 2.433 270 E HA 0.248 4.597 4.350 -0.002 0.000 0.278 270 E C -2.036 174.665 176.600 0.169 0.000 0.976 270 E CA -1.807 54.746 56.400 0.254 0.000 0.793 270 E CB 1.429 31.261 29.700 0.220 0.000 1.311 270 E HN -0.273 nan 8.360 nan 0.000 0.460 271 P HA -0.077 nan 4.420 nan 0.000 0.216 271 P C 0.593 177.855 177.300 -0.063 0.000 1.153 271 P CA 1.465 64.583 63.100 0.030 0.000 0.848 271 P CB 0.429 32.139 31.700 0.016 0.000 0.787 272 G N -1.168 107.623 108.800 -0.015 0.000 3.310 272 G HA2 0.180 4.139 3.960 -0.002 0.000 0.176 272 G HA3 0.180 4.139 3.960 -0.002 0.000 0.176 272 G C -0.643 174.304 174.900 0.078 0.000 1.307 272 G CA -0.224 44.877 45.100 0.002 0.000 0.935 272 G HN -0.057 nan 8.290 nan 0.000 0.628 273 D N 0.769 121.218 120.400 0.082 0.000 2.357 273 D HA 0.234 4.873 4.640 -0.002 0.000 0.242 273 D C 0.655 176.980 176.300 0.042 0.000 1.153 273 D CA 0.279 54.315 54.000 0.061 0.000 0.918 273 D CB 0.881 41.704 40.800 0.038 0.000 1.181 273 D HN 0.078 nan 8.370 nan 0.000 0.435 274 M N 0.721 120.338 119.600 0.028 0.000 2.232 274 M HA 0.041 4.520 4.480 -0.002 0.000 0.321 274 M C 0.906 177.190 176.300 -0.026 0.000 1.101 274 M CA 0.215 55.541 55.300 0.043 0.000 1.181 274 M CB 0.522 33.156 32.600 0.057 0.000 1.432 274 M HN -0.030 nan 8.290 nan 0.000 0.457 275 K N 1.317 121.740 120.400 0.039 0.000 2.414 275 K HA 0.056 4.375 4.320 -0.002 0.000 0.272 275 K C -0.961 175.647 176.600 0.012 0.000 0.993 275 K CA 0.168 56.490 56.287 0.059 0.000 0.964 275 K CB 0.265 32.859 32.500 0.157 0.000 0.925 275 K HN 0.392 nan 8.250 nan 0.000 0.487 276 Y N 1.270 121.612 120.300 0.069 0.000 2.683 276 Y HA -0.179 4.371 4.550 -0.002 0.000 0.340 276 Y C 1.777 177.640 175.900 -0.062 0.000 1.245 276 Y CA 0.119 58.191 58.100 -0.046 0.000 1.485 276 Y CB 0.338 38.702 38.460 -0.160 0.000 1.328 276 Y HN 0.713 nan 8.280 nan 0.000 0.603 277 E N 2.483 122.746 120.200 0.104 0.000 2.130 277 E HA -0.245 4.104 4.350 -0.002 0.000 0.196 277 E C 1.566 178.181 176.600 0.025 0.000 0.998 277 E CA 2.174 58.598 56.400 0.041 0.000 0.806 277 E CB -0.420 29.289 29.700 0.014 0.000 0.738 277 E HN 0.717 nan 8.360 nan 0.000 0.459 278 I N -2.613 117.935 120.570 -0.037 0.000 2.756 278 I HA -0.095 4.074 4.170 -0.002 0.000 0.262 278 I C 1.252 177.374 176.117 0.008 0.000 1.225 278 I CA 1.408 62.671 61.300 -0.062 0.000 1.472 278 I CB -0.451 37.475 38.000 -0.122 0.000 1.094 278 I HN 0.091 nan 8.210 nan 0.000 0.454 279 H N 0.405 119.546 119.070 0.118 0.000 2.652 279 H HA 0.312 4.867 4.556 -0.002 0.000 0.274 279 H C 0.669 176.048 175.328 0.085 0.000 1.021 279 H CA -0.653 55.456 56.048 0.101 0.000 1.187 279 H CB 0.375 30.218 29.762 0.134 0.000 1.505 279 H HN 0.213 nan 8.280 nan 0.000 0.530 280 R N 2.286 122.887 120.500 0.169 0.000 2.537 280 R HA -0.049 4.290 4.340 -0.002 0.000 0.280 280 R C -0.579 175.773 176.300 0.088 0.000 1.058 280 R CA -0.225 55.941 56.100 0.109 0.000 1.057 280 R CB 0.371 30.705 30.300 0.056 0.000 0.973 280 R HN 0.102 nan 8.270 nan 0.000 0.438 281 D N 2.554 123.002 120.400 0.081 0.000 2.352 281 D HA -0.011 4.628 4.640 -0.002 0.000 0.245 281 D C 0.651 176.965 176.300 0.023 0.000 1.224 281 D CA 0.028 54.063 54.000 0.058 0.000 0.879 281 D CB 1.132 41.975 40.800 0.072 0.000 1.057 281 D HN 0.620 nan 8.370 nan 0.000 0.491 282 S N 1.518 117.225 115.700 0.011 0.000 2.515 282 S HA -0.154 4.315 4.470 -0.002 0.000 0.231 282 S C 1.709 176.292 174.600 -0.028 0.000 0.987 282 S CA 1.162 59.354 58.200 -0.014 0.000 0.936 282 S CB -0.361 62.833 63.200 -0.010 0.000 0.766 282 S HN 0.561 nan 8.310 nan 0.000 0.528 283 T N -0.628 113.915 114.554 -0.018 0.000 3.009 283 T HA 0.260 4.609 4.350 -0.002 0.000 0.258 283 T C 1.578 176.251 174.700 -0.046 0.000 1.063 283 T CA 0.110 62.192 62.100 -0.031 0.000 1.139 283 T CB -0.218 68.639 68.868 -0.018 0.000 0.890 283 T HN 0.252 nan 8.240 nan 0.000 0.471 284 L N 0.702 121.909 121.223 -0.026 0.000 2.408 284 L HA 0.442 4.781 4.340 -0.002 0.000 0.215 284 L C -0.380 176.471 176.870 -0.031 0.000 1.081 284 L CA 0.861 55.688 54.840 -0.022 0.000 0.840 284 L CB -0.424 41.660 42.059 0.041 0.000 1.002 284 L HN 0.322 nan 8.230 nan 0.000 0.468 285 D N 0.486 120.852 120.400 -0.056 0.000 2.505 285 D HA 0.327 4.966 4.640 -0.002 0.000 0.249 285 D C -2.412 173.754 176.300 -0.223 0.000 1.082 285 D CA -1.319 52.602 54.000 -0.132 0.000 0.839 285 D CB 2.340 43.120 40.800 -0.033 0.000 1.317 285 D HN -0.054 nan 8.370 nan 0.000 0.497 286 P HA 0.126 nan 4.420 nan 0.000 0.279 286 P C -0.311 176.845 177.300 -0.239 0.000 1.239 286 P CA -0.566 62.319 63.100 -0.357 0.000 0.789 286 P CB 1.135 32.506 31.700 -0.549 0.000 0.933 287 S N 2.943 118.556 115.700 -0.145 0.000 2.608 287 S HA 0.094 4.563 4.470 -0.002 0.000 0.261 287 S C 1.493 176.044 174.600 -0.080 0.000 1.314 287 S CA -0.697 57.449 58.200 -0.090 0.000 0.992 287 S CB 0.027 63.190 63.200 -0.060 0.000 0.935 287 S HN 0.482 nan 8.310 nan 0.000 0.564 288 L N 0.621 121.821 121.223 -0.037 0.000 2.042 288 L HA -0.135 4.204 4.340 -0.002 0.000 0.210 288 L C 2.586 179.455 176.870 -0.002 0.000 1.076 288 L CA 2.092 56.930 54.840 -0.003 0.000 0.749 288 L CB -0.464 41.617 42.059 0.037 0.000 0.893 288 L HN 0.949 nan 8.230 nan 0.000 0.432 289 M N -0.339 119.251 119.600 -0.016 0.000 2.108 289 M HA -0.285 4.194 4.480 -0.002 0.000 0.261 289 M C 1.917 178.200 176.300 -0.029 0.000 1.066 289 M CA 1.913 57.200 55.300 -0.021 0.000 1.107 289 M CB -0.072 32.505 32.600 -0.037 0.000 1.356 289 M HN 0.244 nan 8.290 nan 0.000 0.406 290 E N -0.111 120.058 120.200 -0.052 0.000 2.072 290 E HA -0.193 4.156 4.350 -0.002 0.000 0.191 290 E C 2.003 178.564 176.600 -0.065 0.000 0.985 290 E CA 1.666 58.026 56.400 -0.068 0.000 0.801 290 E CB -0.157 29.483 29.700 -0.101 0.000 0.750 290 E HN 0.596 nan 8.360 nan 0.000 0.452 291 M N 0.308 119.867 119.600 -0.069 0.000 2.117 291 M HA -0.163 4.316 4.480 -0.002 0.000 0.262 291 M C 2.726 179.030 176.300 0.008 0.000 1.065 291 M CA 1.699 56.984 55.300 -0.026 0.000 1.114 291 M CB -0.498 32.100 32.600 -0.003 0.000 1.361 291 M HN 0.191 nan 8.290 nan 0.000 0.408 292 T N -0.678 113.883 114.554 0.011 0.000 2.777 292 T HA -0.199 4.150 4.350 -0.002 0.000 0.266 292 T C 1.570 176.265 174.700 -0.009 0.000 1.040 292 T CA 1.815 63.925 62.100 0.018 0.000 1.141 292 T CB -0.156 68.750 68.868 0.063 0.000 0.868 292 T HN 0.501 nan 8.240 nan 0.000 0.444 293 E N 0.494 120.686 120.200 -0.013 0.000 2.077 293 E HA -0.061 4.288 4.350 -0.002 0.000 0.193 293 E C 2.406 178.985 176.600 -0.035 0.000 0.989 293 E CA 1.160 57.544 56.400 -0.026 0.000 0.800 293 E CB -0.587 29.099 29.700 -0.025 0.000 0.746 293 E HN 0.659 nan 8.360 nan 0.000 0.452 294 A N 1.178 123.982 122.820 -0.026 0.000 1.883 294 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 294 A C 2.448 180.018 177.584 -0.024 0.000 1.186 294 A CA 2.021 54.048 52.037 -0.017 0.000 0.624 294 A CB -1.020 17.983 19.000 0.005 0.000 0.822 294 A HN 0.441 nan 8.150 nan 0.000 0.444 295 A N -0.734 122.071 122.820 -0.026 0.000 1.883 295 A HA -0.066 4.253 4.320 -0.002 0.000 0.217 295 A C 2.017 179.507 177.584 -0.156 0.000 1.186 295 A CA 1.802 53.804 52.037 -0.058 0.000 0.624 295 A CB -0.543 18.434 19.000 -0.039 0.000 0.822 295 A HN 0.398 nan 8.150 nan 0.000 0.444 296 L N -0.334 120.783 121.223 -0.178 0.000 2.093 296 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 296 L C 2.521 179.277 176.870 -0.190 0.000 1.085 296 L CA 1.626 56.302 54.840 -0.273 0.000 0.755 296 L CB -1.237 40.719 42.059 -0.171 0.000 0.904 296 L HN 0.390 nan 8.230 nan 0.000 0.435 297 R N -0.922 119.516 120.500 -0.103 0.000 2.103 297 R HA -0.213 4.126 4.340 -0.002 0.000 0.242 297 R C 2.267 178.528 176.300 -0.065 0.000 1.142 297 R CA 1.613 57.675 56.100 -0.063 0.000 0.960 297 R CB -0.452 29.826 30.300 -0.037 0.000 0.858 297 R HN 0.295 nan 8.270 nan 0.000 0.439 298 L N 0.402 121.579 121.223 -0.075 0.000 2.068 298 L HA -0.069 4.270 4.340 -0.002 0.000 0.204 298 L C 2.024 178.840 176.870 -0.090 0.000 1.076 298 L CA 1.039 55.843 54.840 -0.061 0.000 0.753 298 L CB -0.011 42.024 42.059 -0.040 0.000 0.910 298 L HN 0.173 nan 8.230 nan 0.000 0.439 299 L N -0.454 120.661 121.223 -0.180 0.000 2.141 299 L HA -0.153 4.187 4.340 -0.002 0.000 0.209 299 L C 2.665 179.464 176.870 -0.118 0.000 1.094 299 L CA 1.280 55.986 54.840 -0.223 0.000 0.763 299 L CB -0.599 41.129 42.059 -0.553 0.000 0.908 299 L HN 0.419 nan 8.230 nan 0.000 0.437 300 S N -0.530 115.081 115.700 -0.148 0.000 2.547 300 S HA -0.091 4.378 4.470 -0.002 0.000 0.235 300 S C 1.875 176.527 174.600 0.087 0.000 0.980 300 S CA 0.317 58.559 58.200 0.070 0.000 0.941 300 S CB -0.308 62.915 63.200 0.039 0.000 0.763 300 S HN 0.407 nan 8.310 nan 0.000 0.532 301 R N 1.326 121.850 120.500 0.039 0.000 2.193 301 R HA 0.144 4.483 4.340 -0.002 0.000 0.213 301 R C 0.670 177.002 176.300 0.053 0.000 1.055 301 R CA 0.431 56.553 56.100 0.037 0.000 0.995 301 R CB -0.370 29.939 30.300 0.015 0.000 0.893 301 R HN 0.571 nan 8.270 nan 0.000 0.459 302 N N 2.030 120.776 118.700 0.076 0.000 2.442 302 N HA 0.025 4.764 4.740 -0.002 0.000 0.265 302 N C -1.663 173.896 175.510 0.081 0.000 1.138 302 N CA -1.419 51.678 53.050 0.077 0.000 0.956 302 N CB 1.126 39.670 38.487 0.095 0.000 1.067 302 N HN -0.122 nan 8.380 nan 0.000 0.474 303 P HA -0.116 nan 4.420 nan 0.000 0.226 303 P C 0.420 177.741 177.300 0.035 0.000 1.153 303 P CA 1.040 64.165 63.100 0.042 0.000 0.777 303 P CB 0.235 31.952 31.700 0.029 0.000 0.794 304 R N -0.569 119.955 120.500 0.040 0.000 2.299 304 R HA 0.273 4.612 4.340 -0.002 0.000 0.197 304 R C 1.218 177.533 176.300 0.025 0.000 0.971 304 R CA 0.630 56.747 56.100 0.029 0.000 1.030 304 R CB -0.256 30.064 30.300 0.034 0.000 0.932 304 R HN 0.237 nan 8.270 nan 0.000 0.477 305 G N 0.992 109.823 108.800 0.052 0.000 2.610 305 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.304 305 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.304 305 G C -0.729 174.255 174.900 0.140 0.000 1.309 305 G CA -0.418 44.691 45.100 0.016 0.000 0.906 305 G HN 0.247 nan 8.290 nan 0.000 0.521 306 F N -2.618 117.367 119.950 0.058 0.000 2.662 306 F HA 0.847 5.373 4.527 -0.002 0.000 0.312 306 F C -1.141 174.738 175.800 0.132 0.000 1.113 306 F CA -2.147 55.907 58.000 0.089 0.000 0.951 306 F CB 1.529 40.564 39.000 0.059 0.000 1.344 306 F HN 0.895 nan 8.300 nan 0.000 0.462 307 F N 3.574 123.710 119.950 0.310 0.000 2.467 307 F HA 0.791 5.317 4.527 -0.001 0.000 0.336 307 F C -1.849 174.155 175.800 0.340 0.000 1.123 307 F CA -1.257 56.886 58.000 0.238 0.000 0.964 307 F CB 1.662 40.749 39.000 0.145 0.000 1.136 307 F HN 0.704 nan 8.300 nan 0.000 0.447 308 L N 7.856 129.023 121.223 -0.092 0.000 2.386 308 L HA 0.577 4.916 4.340 -0.002 0.000 0.271 308 L C -2.082 174.656 176.870 -0.220 0.000 0.993 308 L CA -0.677 54.162 54.840 -0.001 0.000 0.819 308 L CB 1.597 43.667 42.059 0.018 0.000 1.294 308 L HN 0.572 nan 8.230 nan 0.000 0.414 309 F N 5.963 125.900 119.950 -0.023 0.000 2.388 309 F HA 0.750 5.277 4.527 -0.001 0.000 0.358 309 F C -1.247 174.573 175.800 0.034 0.000 1.122 309 F CA -0.547 57.480 58.000 0.045 0.000 1.056 309 F CB 1.330 40.512 39.000 0.304 0.000 1.155 309 F HN 0.228 nan 8.300 nan 0.000 0.461 310 V N 6.151 125.756 119.914 -0.514 0.000 2.444 310 V HA 0.356 4.475 4.120 -0.002 0.000 0.294 310 V C -0.710 175.156 176.094 -0.381 0.000 1.022 310 V CA -0.789 61.324 62.300 -0.312 0.000 0.850 310 V CB 1.561 33.325 31.823 -0.098 0.000 0.992 310 V HN 0.775 nan 8.190 nan 0.000 0.426 311 E N 3.223 123.251 120.200 -0.286 0.000 2.191 311 E HA 0.531 4.880 4.350 -0.002 0.000 0.263 311 E C 0.235 176.766 176.600 -0.116 0.000 0.881 311 E CA -0.669 55.580 56.400 -0.252 0.000 0.757 311 E CB 1.826 31.421 29.700 -0.174 0.000 1.147 311 E HN 0.838 nan 8.360 nan 0.000 0.414 312 G N 2.998 111.596 108.800 -0.336 0.000 2.821 312 G HA2 0.190 4.149 3.960 -0.002 0.000 0.289 312 G HA3 0.190 4.149 3.960 -0.002 0.000 0.289 312 G C 0.728 175.391 174.900 -0.394 0.000 0.771 312 G CA 0.065 44.920 45.100 -0.408 0.000 1.908 312 G HN 0.623 nan 8.290 nan 0.000 0.539 313 G N 1.295 109.939 108.800 -0.260 0.000 2.511 313 G HA2 -0.070 3.889 3.960 -0.002 0.000 0.217 313 G HA3 -0.070 3.889 3.960 -0.002 0.000 0.217 313 G C 1.514 176.149 174.900 -0.442 0.000 1.133 313 G CA -0.116 44.811 45.100 -0.288 0.000 0.792 313 G HN 0.556 nan 8.290 nan 0.000 0.539 314 R N -0.390 119.862 120.500 -0.414 0.000 2.397 314 R HA 0.342 4.681 4.340 -0.002 0.000 0.241 314 R C 1.849 178.055 176.300 -0.157 0.000 0.914 314 R CA -0.326 55.504 56.100 -0.449 0.000 1.071 314 R CB 0.077 30.106 30.300 -0.453 0.000 1.116 314 R HN 0.334 nan 8.270 nan 0.000 0.524 315 I N 1.389 121.820 120.570 -0.231 0.000 2.113 315 I HA -0.372 3.797 4.170 -0.002 0.000 0.242 315 I C 2.138 178.042 176.117 -0.356 0.000 1.064 315 I CA 1.916 63.032 61.300 -0.306 0.000 1.320 315 I CB -0.320 37.465 38.000 -0.358 0.000 1.028 315 I HN 0.134 nan 8.210 nan 0.000 0.406 316 D N 0.151 120.417 120.400 -0.224 0.000 2.133 316 D HA -0.237 4.402 4.640 -0.002 0.000 0.195 316 D C 2.150 178.366 176.300 -0.141 0.000 0.997 316 D CA 1.715 55.637 54.000 -0.131 0.000 0.840 316 D CB -0.079 40.784 40.800 0.104 0.000 0.947 316 D HN 0.454 nan 8.370 nan 0.000 0.452 317 H N -1.165 117.830 119.070 -0.125 0.000 2.389 317 H HA 0.002 4.557 4.556 -0.001 0.000 0.299 317 H C 2.163 177.567 175.328 0.126 0.000 1.081 317 H CA 0.688 56.775 56.048 0.066 0.000 1.345 317 H CB -0.113 29.700 29.762 0.085 0.000 1.393 317 H HN 0.273 nan 8.280 nan 0.000 0.520 318 G N 0.819 109.731 108.800 0.186 0.000 2.446 318 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.217 318 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.217 318 G C 1.283 176.155 174.900 -0.046 0.000 1.168 318 G CA 0.884 45.977 45.100 -0.011 0.000 0.771 318 G HN 0.422 nan 8.290 nan 0.000 0.551 319 H N -0.142 118.801 119.070 -0.212 0.000 2.387 319 H HA -0.011 4.544 4.556 -0.002 0.000 0.299 319 H C 2.297 177.531 175.328 -0.157 0.000 1.090 319 H CA 1.277 57.151 56.048 -0.291 0.000 1.332 319 H CB -0.647 28.668 29.762 -0.746 0.000 1.386 319 H HN 0.601 nan 8.280 nan 0.000 0.516 320 H N 0.392 119.495 119.070 0.055 0.000 2.421 320 H HA -0.071 4.485 4.556 -0.001 0.000 0.298 320 H C 1.570 176.888 175.328 -0.017 0.000 1.087 320 H CA 0.676 56.781 56.048 0.094 0.000 1.330 320 H CB 0.320 30.167 29.762 0.143 0.000 1.388 320 H HN 0.480 nan 8.280 nan 0.000 0.526 321 E N 0.473 120.736 120.200 0.105 0.000 2.482 321 E HA -0.027 4.322 4.350 -0.002 0.000 0.196 321 E C 0.385 176.923 176.600 -0.103 0.000 1.047 321 E CA 0.235 56.645 56.400 0.017 0.000 0.869 321 E CB 0.331 30.063 29.700 0.053 0.000 0.836 321 E HN 0.180 nan 8.360 nan 0.000 0.520 322 S N 0.594 116.129 115.700 -0.275 0.000 3.581 322 S HA -0.222 4.248 4.470 -0.002 0.000 0.354 322 S C -0.119 174.424 174.600 -0.095 0.000 1.059 322 S CA 0.676 58.531 58.200 -0.575 0.000 1.060 322 S CB -1.007 61.872 63.200 -0.536 0.000 0.908 322 S HN 0.331 nan 8.310 nan 0.000 0.475 323 R N 0.215 120.719 120.500 0.007 0.000 2.396 323 R HA 0.497 4.836 4.340 -0.002 0.000 0.292 323 R C 1.333 177.727 176.300 0.156 0.000 1.240 323 R CA 0.284 56.428 56.100 0.073 0.000 1.270 323 R CB 0.500 30.780 30.300 -0.032 0.000 1.108 323 R HN 0.306 nan 8.270 nan 0.000 0.573 324 A N 1.904 124.939 122.820 0.359 0.000 1.978 324 A HA -0.255 4.064 4.320 -0.002 0.000 0.220 324 A C 1.681 179.438 177.584 0.289 0.000 1.170 324 A CA 1.214 53.473 52.037 0.370 0.000 0.636 324 A CB -0.416 18.938 19.000 0.589 0.000 0.810 324 A HN 0.771 nan 8.150 nan 0.000 0.448 325 Y N 0.421 120.737 120.300 0.026 0.000 2.165 325 Y HA -0.248 4.301 4.550 -0.002 0.000 0.286 325 Y C 2.535 178.330 175.900 -0.176 0.000 1.155 325 Y CA 2.253 60.192 58.100 -0.268 0.000 1.164 325 Y CB -0.176 37.940 38.460 -0.574 0.000 0.978 325 Y HN 0.300 nan 8.280 nan 0.000 0.513 326 R N -0.651 119.820 120.500 -0.049 0.000 2.075 326 R HA -0.038 4.301 4.340 -0.002 0.000 0.226 326 R C 2.564 178.727 176.300 -0.229 0.000 1.114 326 R CA 0.953 56.887 56.100 -0.276 0.000 0.972 326 R CB -0.624 29.294 30.300 -0.636 0.000 0.869 326 R HN 0.364 nan 8.270 nan 0.000 0.437 327 A N 1.403 124.085 122.820 -0.231 0.000 1.883 327 A HA -0.148 4.171 4.320 -0.002 0.000 0.217 327 A C 2.152 179.555 177.584 -0.300 0.000 1.186 327 A CA 1.327 53.123 52.037 -0.400 0.000 0.624 327 A CB -0.571 17.915 19.000 -0.857 0.000 0.822 327 A HN 0.171 nan 8.150 nan 0.000 0.444 328 L N -0.336 120.776 121.223 -0.185 0.000 2.131 328 L HA -0.109 4.230 4.340 -0.002 0.000 0.206 328 L C 2.942 179.731 176.870 -0.135 0.000 1.087 328 L CA 1.642 56.405 54.840 -0.128 0.000 0.767 328 L CB -1.046 40.992 42.059 -0.034 0.000 0.917 328 L HN 0.626 nan 8.230 nan 0.000 0.441 329 T N -3.339 111.108 114.554 -0.178 0.000 2.821 329 T HA -0.124 4.225 4.350 -0.002 0.000 0.267 329 T C 1.691 176.334 174.700 -0.095 0.000 1.046 329 T CA 0.759 62.761 62.100 -0.164 0.000 1.139 329 T CB -0.201 68.541 68.868 -0.209 0.000 0.871 329 T HN 0.190 nan 8.240 nan 0.000 0.454 330 E N 1.229 121.376 120.200 -0.088 0.000 2.153 330 E HA -0.070 4.279 4.350 -0.002 0.000 0.194 330 E C 2.431 179.000 176.600 -0.051 0.000 0.988 330 E CA 1.399 57.766 56.400 -0.054 0.000 0.811 330 E CB -0.792 28.875 29.700 -0.055 0.000 0.746 330 E HN 0.598 nan 8.360 nan 0.000 0.466 331 T N 1.625 116.130 114.554 -0.082 0.000 2.777 331 T HA -0.054 4.295 4.350 -0.002 0.000 0.266 331 T C 2.126 176.838 174.700 0.019 0.000 1.040 331 T CA 0.734 62.819 62.100 -0.025 0.000 1.141 331 T CB -0.151 68.675 68.868 -0.070 0.000 0.868 331 T HN 0.112 nan 8.240 nan 0.000 0.444 332 I N 0.743 121.289 120.570 -0.039 0.000 2.226 332 I HA -0.191 3.978 4.170 -0.002 0.000 0.245 332 I C 2.511 178.602 176.117 -0.043 0.000 1.100 332 I CA 1.186 62.453 61.300 -0.056 0.000 1.374 332 I CB -0.314 37.642 38.000 -0.073 0.000 1.057 332 I HN 0.236 nan 8.210 nan 0.000 0.413 333 M N 0.597 120.187 119.600 -0.017 0.000 2.175 333 M HA -0.217 4.262 4.480 -0.002 0.000 0.264 333 M C 1.989 178.304 176.300 0.026 0.000 1.063 333 M CA 1.743 57.038 55.300 -0.008 0.000 1.119 333 M CB -0.775 31.824 32.600 -0.001 0.000 1.377 333 M HN 0.203 nan 8.290 nan 0.000 0.415 334 F N 0.750 120.632 119.950 -0.113 0.000 2.102 334 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 334 F C 1.901 177.595 175.800 -0.176 0.000 1.105 334 F CA 2.414 60.339 58.000 -0.126 0.000 1.239 334 F CB -0.981 37.939 39.000 -0.133 0.000 0.991 334 F HN 0.359 nan 8.300 nan 0.000 0.474 335 D N -0.139 120.114 120.400 -0.246 0.000 2.144 335 D HA -0.192 4.447 4.640 -0.002 0.000 0.199 335 D C 1.755 177.861 176.300 -0.322 0.000 0.984 335 D CA 1.644 55.405 54.000 -0.398 0.000 0.834 335 D CB -0.244 40.403 40.800 -0.255 0.000 0.955 335 D HN 0.255 nan 8.370 nan 0.000 0.465 336 D N -0.212 120.071 120.400 -0.196 0.000 2.149 336 D HA -0.130 4.509 4.640 -0.002 0.000 0.198 336 D C 1.952 178.156 176.300 -0.161 0.000 0.990 336 D CA 1.260 55.170 54.000 -0.150 0.000 0.839 336 D CB -0.433 40.312 40.800 -0.093 0.000 0.948 336 D HN 0.330 nan 8.370 nan 0.000 0.460 337 A N 0.539 123.255 122.820 -0.174 0.000 1.930 337 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 337 A C 2.357 179.806 177.584 -0.223 0.000 1.175 337 A CA 0.670 52.631 52.037 -0.127 0.000 0.627 337 A CB -0.597 18.381 19.000 -0.037 0.000 0.815 337 A HN 0.177 nan 8.150 nan 0.000 0.443 338 I N -0.569 119.668 120.570 -0.556 0.000 2.179 338 I HA -0.273 3.896 4.170 -0.002 0.000 0.242 338 I C 2.554 178.431 176.117 -0.400 0.000 1.088 338 I CA 1.855 62.625 61.300 -0.884 0.000 1.357 338 I CB -0.308 37.009 38.000 -1.138 0.000 1.051 338 I HN 0.537 nan 8.210 nan 0.000 0.409 339 E N 0.984 121.014 120.200 -0.283 0.000 2.051 339 E HA -0.306 4.043 4.350 -0.002 0.000 0.192 339 E C 2.311 178.855 176.600 -0.094 0.000 0.991 339 E CA 1.310 57.618 56.400 -0.155 0.000 0.799 339 E CB 0.032 29.649 29.700 -0.138 0.000 0.748 339 E HN 0.133 nan 8.360 nan 0.000 0.449 340 R N 0.556 121.005 120.500 -0.085 0.000 2.081 340 R HA -0.050 4.289 4.340 -0.002 0.000 0.235 340 R C 2.041 178.345 176.300 0.006 0.000 1.131 340 R CA 1.752 57.830 56.100 -0.036 0.000 0.960 340 R CB -0.888 29.393 30.300 -0.032 0.000 0.856 340 R HN 0.251 nan 8.270 nan 0.000 0.436 341 A N -0.611 122.239 122.820 0.049 0.000 1.972 341 A HA -0.021 4.298 4.320 -0.002 0.000 0.219 341 A C 2.292 179.947 177.584 0.118 0.000 1.169 341 A CA 1.615 53.740 52.037 0.146 0.000 0.635 341 A CB -1.192 18.036 19.000 0.380 0.000 0.810 341 A HN 0.514 nan 8.150 nan 0.000 0.446 342 G N -1.143 107.690 108.800 0.056 0.000 2.471 342 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.219 342 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.219 342 G C 1.526 176.426 174.900 0.000 0.000 1.125 342 G CA 0.827 45.937 45.100 0.017 0.000 0.775 342 G HN 0.643 nan 8.290 nan 0.000 0.548 343 Q N -0.669 119.131 119.800 -0.001 0.000 2.245 343 Q HA 0.209 4.548 4.340 -0.002 0.000 0.201 343 Q C 2.126 178.132 176.000 0.009 0.000 0.955 343 Q CA 0.480 56.280 55.803 -0.005 0.000 0.870 343 Q CB 0.006 28.736 28.738 -0.014 0.000 0.945 343 Q HN 0.427 nan 8.270 nan 0.000 0.461 344 L N 0.158 121.398 121.223 0.028 0.000 2.640 344 L HA 0.153 4.492 4.340 -0.002 0.000 0.230 344 L C 0.593 177.502 176.870 0.066 0.000 1.123 344 L CA 0.047 54.909 54.840 0.036 0.000 0.900 344 L CB 0.411 42.489 42.059 0.030 0.000 1.146 344 L HN 0.157 nan 8.230 nan 0.000 0.484 345 T N -4.799 109.799 114.554 0.074 0.000 2.887 345 T HA 0.438 4.787 4.350 -0.002 0.000 0.292 345 T C -0.455 174.269 174.700 0.040 0.000 1.087 345 T CA -0.663 61.492 62.100 0.092 0.000 1.009 345 T CB 2.372 71.332 68.868 0.154 0.000 1.203 345 T HN -0.144 nan 8.240 nan 0.000 0.518 346 S N -0.173 115.541 115.700 0.024 0.000 2.451 346 S HA 0.262 4.731 4.470 -0.002 0.000 0.301 346 S C 1.106 175.690 174.600 -0.027 0.000 1.116 346 S CA -0.527 57.669 58.200 -0.007 0.000 1.093 346 S CB 0.876 64.072 63.200 -0.007 0.000 1.017 346 S HN 0.908 nan 8.310 nan 0.000 0.482 347 E N 3.223 123.396 120.200 -0.046 0.000 2.472 347 E HA -0.091 4.258 4.350 -0.002 0.000 0.200 347 E C 0.623 177.194 176.600 -0.048 0.000 1.046 347 E CA 0.620 56.983 56.400 -0.062 0.000 0.871 347 E CB 0.013 29.657 29.700 -0.094 0.000 0.806 347 E HN 0.608 nan 8.360 nan 0.000 0.533 348 E N 1.841 122.017 120.200 -0.039 0.000 2.150 348 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 348 E C 1.016 177.590 176.600 -0.043 0.000 0.985 348 E CA 1.580 57.959 56.400 -0.035 0.000 0.814 348 E CB 0.008 29.692 29.700 -0.027 0.000 0.752 348 E HN 0.670 nan 8.360 nan 0.000 0.466 349 D N -1.401 118.969 120.400 -0.050 0.000 2.539 349 D HA 0.025 4.664 4.640 -0.002 0.000 0.232 349 D C -0.299 175.942 176.300 -0.098 0.000 1.256 349 D CA -0.092 53.868 54.000 -0.067 0.000 0.810 349 D CB 0.097 40.861 40.800 -0.059 0.000 1.090 349 D HN -0.253 nan 8.370 nan 0.000 0.519 350 T N 1.498 116.000 114.554 -0.087 0.000 2.815 350 T HA 0.414 4.763 4.350 -0.002 0.000 0.289 350 T C -0.832 173.830 174.700 -0.064 0.000 1.000 350 T CA -0.619 61.415 62.100 -0.109 0.000 0.958 350 T CB 1.640 70.463 68.868 -0.074 0.000 0.944 350 T HN 0.066 nan 8.240 nan 0.000 0.442 351 L N 3.929 125.116 121.223 -0.061 0.000 2.281 351 L HA 0.594 4.933 4.340 -0.002 0.000 0.285 351 L C -0.295 176.599 176.870 0.040 0.000 1.074 351 L CA 0.287 55.128 54.840 0.001 0.000 0.817 351 L CB 0.672 42.739 42.059 0.014 0.000 1.168 351 L HN 0.510 nan 8.230 nan 0.000 0.434 352 S N 6.393 122.168 115.700 0.125 0.000 2.478 352 S HA 0.681 5.151 4.470 -0.002 0.000 0.312 352 S C -0.665 174.195 174.600 0.435 0.000 1.094 352 S CA -0.595 57.777 58.200 0.287 0.000 1.081 352 S CB 1.074 64.520 63.200 0.409 0.000 1.007 352 S HN 0.516 nan 8.310 nan 0.000 0.475 353 L N 3.221 124.679 121.223 0.391 0.000 2.341 353 L HA 0.649 4.988 4.340 -0.002 0.000 0.278 353 L C -0.898 176.209 176.870 0.396 0.000 1.005 353 L CA -0.941 54.132 54.840 0.387 0.000 0.818 353 L CB 1.784 44.002 42.059 0.265 0.000 1.259 353 L HN 0.321 nan 8.230 nan 0.000 0.418 354 V N 2.064 122.157 119.914 0.299 0.000 2.417 354 V HA 0.693 4.813 4.120 -0.002 0.000 0.291 354 V C 0.073 176.329 176.094 0.270 0.000 1.024 354 V CA -0.163 62.260 62.300 0.204 0.000 0.861 354 V CB 1.868 33.569 31.823 -0.204 0.000 0.985 354 V HN 0.921 nan 8.190 nan 0.000 0.436 355 T N 2.846 117.527 114.554 0.212 0.000 2.671 355 T HA 0.817 5.166 4.350 -0.002 0.000 0.300 355 T C -1.354 173.357 174.700 0.020 0.000 1.238 355 T CA 0.272 62.443 62.100 0.119 0.000 1.020 355 T CB 1.893 70.785 68.868 0.040 0.000 1.503 355 T HN 1.027 nan 8.240 nan 0.000 0.497 356 A N 0.608 123.396 122.820 -0.053 0.000 2.384 356 A HA 0.660 4.979 4.320 -0.002 0.000 0.312 356 A C 0.634 178.113 177.584 -0.174 0.000 1.113 356 A CA -0.122 51.829 52.037 -0.143 0.000 0.779 356 A CB 1.217 20.153 19.000 -0.106 0.000 1.307 356 A HN 0.886 nan 8.150 nan 0.000 0.436 357 D N 0.129 120.422 120.400 -0.179 0.000 2.194 357 D HA -0.012 4.627 4.640 -0.002 0.000 0.204 357 D C 0.580 176.968 176.300 0.145 0.000 0.964 357 D CA 1.913 55.947 54.000 0.057 0.000 0.846 357 D CB -0.186 40.815 40.800 0.336 0.000 0.962 357 D HN 0.763 nan 8.370 nan 0.000 0.490 358 H N -3.628 115.428 119.070 -0.023 0.000 2.894 358 H HA 0.443 4.999 4.556 -0.001 0.000 0.282 358 H C -1.426 173.882 175.328 -0.033 0.000 1.448 358 H CA -0.702 55.328 56.048 -0.030 0.000 1.158 358 H CB 0.558 30.267 29.762 -0.088 0.000 1.818 358 H HN -0.019 nan 8.280 nan 0.000 0.493 359 S N -0.976 114.737 115.700 0.022 0.000 2.713 359 S HA 0.500 4.969 4.470 -0.002 0.000 0.296 359 S C -0.839 173.817 174.600 0.093 0.000 1.114 359 S CA -0.434 57.811 58.200 0.075 0.000 0.997 359 S CB 1.115 64.399 63.200 0.139 0.000 1.249 359 S HN 0.661 nan 8.310 nan 0.000 0.534 360 H N -0.431 118.781 119.070 0.236 0.000 2.946 360 H HA 0.340 4.896 4.556 -0.001 0.000 0.365 360 H C -0.429 175.050 175.328 0.251 0.000 1.197 360 H CA -0.357 55.867 56.048 0.293 0.000 1.131 360 H CB 1.695 31.614 29.762 0.263 0.000 1.849 360 H HN 0.483 nan 8.280 nan 0.000 0.555 361 V N 0.310 120.470 119.914 0.410 0.000 3.111 361 V HA 0.155 4.274 4.120 -0.002 0.000 0.381 361 V C -0.057 176.213 176.094 0.293 0.000 1.387 361 V CA -0.004 62.480 62.300 0.306 0.000 1.550 361 V CB -1.881 30.102 31.823 0.266 0.000 1.305 361 V HN 0.313 nan 8.190 nan 0.000 0.494 362 F N 2.869 122.815 119.950 -0.008 0.000 2.408 362 F HA 0.764 5.290 4.527 -0.002 0.000 0.344 362 F C 0.384 176.073 175.800 -0.185 0.000 1.112 362 F CA -0.510 57.293 58.000 -0.329 0.000 1.096 362 F CB 1.550 40.233 39.000 -0.528 0.000 1.129 362 F HN 0.404 nan 8.300 nan 0.000 0.486 363 S N 5.911 121.152 115.700 -0.765 0.000 2.570 363 S HA 0.711 5.180 4.470 -0.002 0.000 0.286 363 S C -1.487 172.758 174.600 -0.591 0.000 1.099 363 S CA -0.691 57.181 58.200 -0.546 0.000 0.913 363 S CB 1.956 65.007 63.200 -0.248 0.000 1.085 363 S HN 0.662 nan 8.310 nan 0.000 0.480 364 F N 1.495 121.132 119.950 -0.521 0.000 2.500 364 F HA 0.805 5.331 4.527 -0.002 0.000 0.349 364 F C 0.020 175.666 175.800 -0.256 0.000 1.127 364 F CA -0.462 57.303 58.000 -0.391 0.000 0.998 364 F CB 0.957 39.753 39.000 -0.341 0.000 1.237 364 F HN 1.049 nan 8.300 nan 0.000 0.439 365 G N 2.203 110.807 108.800 -0.326 0.000 3.085 365 G HA2 0.615 4.574 3.960 -0.002 0.000 0.264 365 G HA3 0.615 4.574 3.960 -0.002 0.000 0.264 365 G C 0.006 174.681 174.900 -0.375 0.000 1.206 365 G CA -0.234 44.609 45.100 -0.428 0.000 0.809 365 G HN 1.445 nan 8.290 nan 0.000 0.592 366 G N -1.479 107.109 108.800 -0.353 0.000 2.692 366 G HA2 -0.036 3.923 3.960 -0.002 0.000 0.248 366 G HA3 -0.036 3.923 3.960 -0.002 0.000 0.248 366 G C -0.677 173.784 174.900 -0.731 0.000 1.340 366 G CA 0.393 45.277 45.100 -0.361 0.000 0.896 366 G HN 1.196 nan 8.290 nan 0.000 0.570 367 Y N 1.262 121.521 120.300 -0.068 0.000 2.562 367 Y HA 0.424 4.973 4.550 -0.001 0.000 0.363 367 Y C -1.519 174.341 175.900 -0.066 0.000 0.991 367 Y CA -1.126 56.926 58.100 -0.080 0.000 1.121 367 Y CB 0.937 39.367 38.460 -0.050 0.000 1.159 367 Y HN 0.476 nan 8.280 nan 0.000 0.651 368 P HA 0.094 nan 4.420 nan 0.000 0.271 368 P C -0.033 177.296 177.300 0.048 0.000 1.218 368 P CA -0.077 63.040 63.100 0.028 0.000 0.780 368 P CB 1.594 33.327 31.700 0.055 0.000 0.901 369 L N 1.708 122.954 121.223 0.038 0.000 2.439 369 L HA 0.220 4.559 4.340 -0.002 0.000 0.269 369 L C 1.344 178.238 176.870 0.040 0.000 1.179 369 L CA -0.655 54.206 54.840 0.034 0.000 0.828 369 L CB -0.022 42.050 42.059 0.021 0.000 1.106 369 L HN 0.412 nan 8.230 nan 0.000 0.467 370 R N 1.550 122.073 120.500 0.038 0.000 2.504 370 R HA 0.145 4.484 4.340 -0.002 0.000 0.291 370 R C 0.914 177.232 176.300 0.029 0.000 0.974 370 R CA 1.240 57.365 56.100 0.041 0.000 1.077 370 R CB -0.166 30.156 30.300 0.038 0.000 0.926 370 R HN 0.826 nan 8.270 nan 0.000 0.407 371 G N 2.281 111.098 108.800 0.028 0.000 2.199 371 G HA2 -0.322 3.637 3.960 -0.002 0.000 0.254 371 G HA3 -0.322 3.637 3.960 -0.002 0.000 0.254 371 G C -0.010 174.895 174.900 0.009 0.000 0.982 371 G CA 0.361 45.470 45.100 0.014 0.000 0.632 371 G HN 0.976 nan 8.290 nan 0.000 0.529 372 S N -0.028 115.681 115.700 0.015 0.000 2.585 372 S HA 0.618 5.087 4.470 -0.002 0.000 0.273 372 S C 0.585 175.179 174.600 -0.009 0.000 1.339 372 S CA 0.641 58.847 58.200 0.009 0.000 1.028 372 S CB 1.805 65.015 63.200 0.017 0.000 0.906 372 S HN 1.490 nan 8.310 nan 0.000 0.528 373 S N 0.893 116.588 115.700 -0.007 0.000 2.537 373 S HA 0.079 4.549 4.470 -0.002 0.000 0.286 373 S C 1.033 175.572 174.600 -0.102 0.000 1.299 373 S CA -0.689 57.492 58.200 -0.032 0.000 1.067 373 S CB -0.340 62.889 63.200 0.049 0.000 0.864 373 S HN 0.707 nan 8.310 nan 0.000 0.494 374 I N 4.882 125.277 120.570 -0.292 0.000 2.530 374 I HA -0.018 4.151 4.170 -0.002 0.000 0.257 374 I C 0.678 176.541 176.117 -0.424 0.000 1.179 374 I CA 1.497 62.511 61.300 -0.478 0.000 1.440 374 I CB -0.241 37.306 38.000 -0.755 0.000 1.087 374 I HN 0.728 nan 8.210 nan 0.000 0.440 375 F N 0.036 120.007 119.950 0.034 0.000 2.693 375 F HA 0.406 4.932 4.527 -0.002 0.000 0.303 375 F C 1.527 177.348 175.800 0.035 0.000 1.097 375 F CA -0.156 57.892 58.000 0.079 0.000 1.330 375 F CB -1.096 37.985 39.000 0.134 0.000 1.067 375 F HN -0.049 nan 8.300 nan 0.000 0.565 376 G N 0.268 109.132 108.800 0.106 0.000 2.588 376 G HA2 0.496 4.455 3.960 -0.002 0.000 0.281 376 G HA3 0.496 4.455 3.960 -0.002 0.000 0.281 376 G C -0.379 174.522 174.900 0.001 0.000 1.236 376 G CA -0.679 44.448 45.100 0.044 0.000 0.969 376 G HN 0.032 nan 8.290 nan 0.000 0.504 377 L N 0.664 121.859 121.223 -0.047 0.000 2.349 377 L HA 0.451 4.790 4.340 -0.002 0.000 0.275 377 L C 1.121 177.879 176.870 -0.187 0.000 1.115 377 L CA -0.774 53.995 54.840 -0.118 0.000 0.820 377 L CB 1.171 43.166 42.059 -0.107 0.000 1.135 377 L HN 0.591 nan 8.230 nan 0.000 0.445 378 A N 4.863 127.454 122.820 -0.382 0.000 2.540 378 A HA 0.307 4.626 4.320 -0.002 0.000 0.239 378 A C -2.186 175.206 177.584 -0.320 0.000 1.061 378 A CA -0.802 50.956 52.037 -0.465 0.000 0.758 378 A CB -0.670 17.695 19.000 -1.060 0.000 0.991 378 A HN 0.468 nan 8.150 nan 0.000 0.502 379 P HA 0.407 nan 4.420 nan 0.000 0.268 379 P C 0.484 177.775 177.300 -0.015 0.000 1.204 379 P CA 1.751 64.819 63.100 -0.053 0.000 0.768 379 P CB 0.520 32.224 31.700 0.006 0.000 0.842 380 G N 1.621 110.428 108.800 0.012 0.000 2.692 380 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.686 380 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.686 380 G C -0.996 173.989 174.900 0.142 0.000 1.243 380 G CA -0.924 44.224 45.100 0.079 0.000 0.782 380 G HN 0.512 nan 8.290 nan 0.000 0.625 381 K N 0.561 121.047 120.400 0.144 0.000 2.098 381 K HA 0.721 5.040 4.320 -0.002 0.000 0.257 381 K C 1.087 177.813 176.600 0.210 0.000 0.999 381 K CA 0.112 56.506 56.287 0.177 0.000 0.924 381 K CB 1.301 33.861 32.500 0.100 0.000 1.028 381 K HN 1.106 nan 8.250 nan 0.000 0.466 382 A N 1.081 124.014 122.820 0.189 0.000 2.267 382 A HA 0.142 4.461 4.320 -0.002 0.000 0.271 382 A C 0.963 178.551 177.584 0.006 0.000 1.131 382 A CA -0.011 52.032 52.037 0.008 0.000 0.818 382 A CB 0.311 19.256 19.000 -0.091 0.000 1.118 382 A HN 0.765 nan 8.150 nan 0.000 0.501 383 R N -0.305 120.175 120.500 -0.033 0.000 2.235 383 R HA -0.057 4.282 4.340 -0.002 0.000 0.213 383 R C 0.488 176.786 176.300 -0.004 0.000 1.059 383 R CA 1.675 57.767 56.100 -0.014 0.000 0.997 383 R CB -0.228 30.057 30.300 -0.025 0.000 0.884 383 R HN 0.831 nan 8.270 nan 0.000 0.462 384 D N -1.033 119.365 120.400 -0.005 0.000 2.325 384 D HA 0.008 4.647 4.640 -0.002 0.000 0.225 384 D C -0.058 176.253 176.300 0.018 0.000 1.096 384 D CA -0.125 53.877 54.000 0.004 0.000 0.844 384 D CB 0.219 41.018 40.800 -0.001 0.000 0.925 384 D HN -0.097 nan 8.370 nan 0.000 0.513 385 R N -0.969 119.547 120.500 0.027 0.000 3.951 385 R HA -0.159 4.180 4.340 -0.002 0.000 0.352 385 R C -0.496 175.833 176.300 0.048 0.000 1.178 385 R CA 0.655 56.777 56.100 0.036 0.000 0.949 385 R CB -2.613 27.703 30.300 0.026 0.000 1.452 385 R HN 0.427 nan 8.270 nan 0.000 0.540 386 K N -0.174 120.262 120.400 0.060 0.000 2.238 386 K HA 0.743 5.062 4.320 -0.002 0.000 0.239 386 K C 0.198 176.876 176.600 0.129 0.000 0.987 386 K CA -0.100 56.231 56.287 0.073 0.000 0.857 386 K CB 1.640 34.175 32.500 0.059 0.000 1.154 386 K HN 0.151 nan 8.250 nan 0.000 0.439 387 A N 1.059 123.949 122.820 0.115 0.000 2.406 387 A HA 0.374 4.693 4.320 -0.002 0.000 0.243 387 A C -0.873 176.853 177.584 0.236 0.000 1.082 387 A CA 0.241 52.358 52.037 0.132 0.000 0.786 387 A CB -0.156 18.871 19.000 0.044 0.000 1.029 387 A HN 0.683 nan 8.150 nan 0.000 0.495 388 Y N -1.639 118.681 120.300 0.034 0.000 2.644 388 Y HA 0.720 5.269 4.550 -0.002 0.000 0.338 388 Y C -0.017 175.917 175.900 0.057 0.000 1.119 388 Y CA -0.703 57.427 58.100 0.050 0.000 1.060 388 Y CB 0.503 38.987 38.460 0.039 0.000 1.294 388 Y HN 0.744 nan 8.280 nan 0.000 0.472 389 T N -1.157 113.481 114.554 0.140 0.000 2.928 389 T HA 0.393 4.743 4.350 -0.002 0.000 0.284 389 T C 1.075 175.802 174.700 0.046 0.000 1.008 389 T CA -0.179 61.960 62.100 0.065 0.000 1.057 389 T CB 1.433 70.429 68.868 0.213 0.000 1.018 389 T HN 1.324 nan 8.240 nan 0.000 0.493 390 V N 0.368 120.288 119.914 0.010 0.000 2.515 390 V HA 0.184 4.303 4.120 -0.002 0.000 0.250 390 V C 0.811 176.967 176.094 0.103 0.000 1.058 390 V CA 0.790 63.119 62.300 0.048 0.000 1.064 390 V CB -1.068 30.824 31.823 0.114 0.000 0.675 390 V HN 0.729 nan 8.190 nan 0.000 0.461 391 L N 2.154 123.443 121.223 0.110 0.000 2.275 391 L HA 0.548 4.887 4.340 -0.002 0.000 0.288 391 L C -0.430 176.471 176.870 0.052 0.000 1.046 391 L CA -0.281 54.578 54.840 0.032 0.000 0.805 391 L CB 1.375 43.539 42.059 0.175 0.000 1.193 391 L HN 0.144 nan 8.230 nan 0.000 0.426 392 L N 3.023 124.175 121.223 -0.117 0.000 2.403 392 L HA 0.540 4.879 4.340 -0.002 0.000 0.253 392 L C -0.924 175.822 176.870 -0.208 0.000 1.045 392 L CA -0.676 54.150 54.840 -0.023 0.000 0.845 392 L CB 2.222 44.309 42.059 0.045 0.000 1.447 392 L HN 0.346 nan 8.230 nan 0.000 0.411 393 Y N -1.204 119.184 120.300 0.145 0.000 2.485 393 Y HA 0.493 5.042 4.550 -0.001 0.000 0.345 393 Y C 1.166 177.140 175.900 0.122 0.000 0.998 393 Y CA -0.164 58.029 58.100 0.155 0.000 1.059 393 Y CB 2.079 40.649 38.460 0.184 0.000 1.234 393 Y HN 0.715 nan 8.280 nan 0.000 0.461 394 G N 1.216 110.177 108.800 0.268 0.000 2.402 394 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.216 394 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.216 394 G C -0.002 175.007 174.900 0.181 0.000 1.162 394 G CA 1.063 46.272 45.100 0.181 0.000 0.777 394 G HN 0.714 nan 8.290 nan 0.000 0.539 395 N N -2.488 116.338 118.700 0.209 0.000 2.853 395 N HA 0.605 5.344 4.740 -0.002 0.000 0.258 395 N C -0.220 175.372 175.510 0.135 0.000 1.444 395 N CA 0.060 53.197 53.050 0.145 0.000 0.837 395 N CB 1.189 39.729 38.487 0.089 0.000 1.489 395 N HN 0.871 nan 8.380 nan 0.000 0.529 396 G N -1.402 107.443 108.800 0.075 0.000 2.343 396 G HA2 0.041 4.000 3.960 -0.002 0.000 0.562 396 G HA3 0.041 4.000 3.960 -0.002 0.000 0.562 396 G C -2.659 172.264 174.900 0.039 0.000 1.269 396 G CA -0.354 44.761 45.100 0.025 0.000 1.011 396 G HN 0.597 nan 8.290 nan 0.000 0.498 397 P HA 0.149 nan 4.420 nan 0.000 0.249 397 P C 1.459 178.774 177.300 0.023 0.000 1.229 397 P CA 1.280 64.391 63.100 0.019 0.000 0.788 397 P CB 0.162 31.858 31.700 -0.007 0.000 1.072 398 G N -0.949 107.865 108.800 0.023 0.000 2.813 398 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.209 398 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.209 398 G C 0.126 175.070 174.900 0.073 0.000 1.150 398 G CA -0.113 44.993 45.100 0.009 0.000 0.785 398 G HN 0.247 nan 8.290 nan 0.000 0.535 399 Y N 1.355 121.666 120.300 0.018 0.000 2.569 399 Y HA 0.401 4.951 4.550 -0.001 0.000 0.332 399 Y C -0.438 175.476 175.900 0.025 0.000 1.120 399 Y CA -0.280 57.839 58.100 0.033 0.000 1.416 399 Y CB 0.682 39.161 38.460 0.033 0.000 1.210 399 Y HN -0.105 nan 8.280 nan 0.000 0.528 400 V N 7.773 127.488 119.914 -0.332 0.000 2.925 400 V HA 0.419 4.538 4.120 -0.002 0.000 0.311 400 V C -0.842 175.066 176.094 -0.310 0.000 1.104 400 V CA -1.193 60.998 62.300 -0.181 0.000 0.954 400 V CB 2.213 33.991 31.823 -0.075 0.000 1.022 400 V HN 0.618 nan 8.190 nan 0.000 0.427 401 L N 3.737 124.892 121.223 -0.112 0.000 2.377 401 L HA 0.559 4.898 4.340 -0.002 0.000 0.270 401 L C -0.367 176.497 176.870 -0.009 0.000 0.991 401 L CA -0.401 54.401 54.840 -0.063 0.000 0.851 401 L CB 1.754 43.821 42.059 0.014 0.000 1.218 401 L HN 0.526 nan 8.230 nan 0.000 0.420 402 K N 3.466 123.858 120.400 -0.012 0.000 2.263 402 K HA 0.224 4.544 4.320 -0.002 0.000 0.272 402 K C -0.594 176.010 176.600 0.008 0.000 1.033 402 K CA -0.486 55.804 56.287 0.005 0.000 0.884 402 K CB 0.848 33.353 32.500 0.008 0.000 1.107 402 K HN 0.511 nan 8.250 nan 0.000 0.460 403 D N 2.964 123.372 120.400 0.013 0.000 2.772 403 D HA -0.184 4.455 4.640 -0.002 0.000 0.233 403 D C 0.587 176.896 176.300 0.014 0.000 1.143 403 D CA 1.468 55.476 54.000 0.014 0.000 0.700 403 D CB -1.110 39.697 40.800 0.012 0.000 1.076 403 D HN 1.098 nan 8.370 nan 0.000 0.430 404 G N -1.341 107.469 108.800 0.017 0.000 2.153 404 G HA2 -0.042 3.918 3.960 -0.002 0.000 0.252 404 G HA3 -0.042 3.918 3.960 -0.002 0.000 0.252 404 G C 0.300 175.207 174.900 0.012 0.000 0.994 404 G CA 0.804 45.916 45.100 0.021 0.000 0.698 404 G HN 1.286 nan 8.290 nan 0.000 0.521 405 A N -0.840 121.980 122.820 -0.000 0.000 2.454 405 A HA 0.860 5.179 4.320 -0.002 0.000 0.302 405 A C 0.252 177.814 177.584 -0.036 0.000 1.079 405 A CA -0.141 51.889 52.037 -0.010 0.000 0.731 405 A CB 1.064 20.063 19.000 -0.001 0.000 1.299 405 A HN 0.688 nan 8.150 nan 0.000 0.413 406 R N 1.383 121.854 120.500 -0.049 0.000 2.522 406 R HA 0.286 4.625 4.340 -0.002 0.000 0.284 406 R C -2.372 173.913 176.300 -0.025 0.000 1.032 406 R CA -1.088 54.970 56.100 -0.070 0.000 1.049 406 R CB 0.249 30.512 30.300 -0.062 0.000 0.956 406 R HN 0.446 nan 8.270 nan 0.000 0.422 407 P HA 0.036 nan 4.420 nan 0.000 0.275 407 P C -0.848 176.479 177.300 0.045 0.000 1.228 407 P CA -0.293 62.819 63.100 0.020 0.000 0.786 407 P CB 0.667 32.386 31.700 0.032 0.000 0.927 408 D N 0.521 120.947 120.400 0.044 0.000 2.361 408 D HA 0.211 4.851 4.640 -0.002 0.000 0.239 408 D C -0.781 175.554 176.300 0.058 0.000 1.200 408 D CA 0.136 54.167 54.000 0.051 0.000 0.915 408 D CB 0.792 41.613 40.800 0.035 0.000 1.170 408 D HN 0.057 nan 8.370 nan 0.000 0.444 409 V N 0.783 120.725 119.914 0.047 0.000 2.888 409 V HA 0.574 4.693 4.120 -0.002 0.000 0.309 409 V C -0.434 175.643 176.094 -0.028 0.000 1.114 409 V CA -0.235 62.073 62.300 0.013 0.000 0.940 409 V CB 2.006 33.850 31.823 0.035 0.000 1.021 409 V HN 0.811 nan 8.190 nan 0.000 0.426 410 T N 1.630 116.144 114.554 -0.066 0.000 2.952 410 T HA 0.504 4.853 4.350 -0.002 0.000 0.286 410 T C 0.731 175.369 174.700 -0.104 0.000 1.024 410 T CA -0.435 61.626 62.100 -0.066 0.000 1.029 410 T CB 1.682 70.521 68.868 -0.049 0.000 1.094 410 T HN 0.678 nan 8.240 nan 0.000 0.515 411 E N 0.748 120.905 120.200 -0.071 0.000 2.110 411 E HA -0.145 4.204 4.350 -0.002 0.000 0.193 411 E C 2.428 178.983 176.600 -0.075 0.000 0.988 411 E CA 1.748 58.110 56.400 -0.064 0.000 0.804 411 E CB -0.370 29.312 29.700 -0.030 0.000 0.745 411 E HN 0.834 nan 8.360 nan 0.000 0.458 412 S N 0.601 116.260 115.700 -0.069 0.000 2.383 412 S HA -0.178 4.291 4.470 -0.002 0.000 0.227 412 S C 2.030 176.565 174.600 -0.108 0.000 1.026 412 S CA 1.374 59.534 58.200 -0.067 0.000 0.981 412 S CB -0.141 63.032 63.200 -0.046 0.000 0.818 412 S HN 0.287 nan 8.310 nan 0.000 0.472 413 E N 1.644 121.757 120.200 -0.145 0.000 2.047 413 E HA -0.166 4.184 4.350 -0.002 0.000 0.191 413 E C 2.148 178.471 176.600 -0.460 0.000 0.987 413 E CA 1.527 57.798 56.400 -0.215 0.000 0.799 413 E CB -0.327 29.257 29.700 -0.192 0.000 0.752 413 E HN 0.775 nan 8.360 nan 0.000 0.449 414 S N -0.690 114.672 115.700 -0.562 0.000 2.447 414 S HA -0.022 4.447 4.470 -0.002 0.000 0.233 414 S C 1.917 176.385 174.600 -0.221 0.000 1.006 414 S CA 0.824 58.583 58.200 -0.736 0.000 0.957 414 S CB -0.047 62.925 63.200 -0.380 0.000 0.773 414 S HN 0.327 nan 8.310 nan 0.000 0.507 415 G N 0.859 109.589 108.800 -0.117 0.000 2.985 415 G HA2 0.204 4.163 3.960 -0.002 0.000 0.209 415 G HA3 0.204 4.163 3.960 -0.002 0.000 0.209 415 G C 0.330 175.121 174.900 -0.181 0.000 1.165 415 G CA 0.147 45.231 45.100 -0.026 0.000 0.776 415 G HN 0.564 nan 8.290 nan 0.000 0.541 416 S N 0.758 116.341 115.700 -0.194 0.000 2.564 416 S HA 0.310 4.779 4.470 -0.002 0.000 0.278 416 S C -1.010 173.317 174.600 -0.455 0.000 1.333 416 S CA -1.108 56.934 58.200 -0.263 0.000 1.048 416 S CB 1.621 64.752 63.200 -0.115 0.000 0.900 416 S HN -0.029 nan 8.310 nan 0.000 0.505 417 P HA 0.044 nan 4.420 nan 0.000 0.228 417 P C 0.292 177.397 177.300 -0.324 0.000 1.151 417 P CA 0.775 63.341 63.100 -0.891 0.000 0.770 417 P CB 0.112 31.318 31.700 -0.824 0.000 0.786 418 E N -2.619 117.480 120.200 -0.168 0.000 2.474 418 E HA 0.039 4.389 4.350 -0.002 0.000 0.195 418 E C 0.053 176.656 176.600 0.005 0.000 1.039 418 E CA -0.337 56.029 56.400 -0.056 0.000 0.881 418 E CB -0.631 29.055 29.700 -0.023 0.000 0.970 418 E HN 0.250 nan 8.360 nan 0.000 0.486 419 Y N 2.004 122.248 120.300 -0.095 0.000 2.526 419 Y HA 0.077 4.626 4.550 -0.001 0.000 0.330 419 Y C -0.090 175.833 175.900 0.038 0.000 1.156 419 Y CA -0.192 57.894 58.100 -0.022 0.000 1.419 419 Y CB 0.390 38.841 38.460 -0.015 0.000 1.250 419 Y HN -0.196 nan 8.280 nan 0.000 0.540 420 R N 5.372 125.471 120.500 -0.667 0.000 2.255 420 R HA 0.216 4.555 4.340 -0.002 0.000 0.326 420 R C -0.555 175.286 176.300 -0.766 0.000 0.986 420 R CA -0.929 54.869 56.100 -0.503 0.000 0.847 420 R CB 0.963 31.102 30.300 -0.267 0.000 1.111 420 R HN 0.664 nan 8.270 nan 0.000 0.452 421 Q N 2.004 121.687 119.800 -0.196 0.000 2.364 421 Q HA 0.015 4.354 4.340 -0.002 0.000 0.267 421 Q C -0.086 176.004 176.000 0.149 0.000 0.999 421 Q CA 0.401 56.268 55.803 0.106 0.000 0.886 421 Q CB 0.588 29.594 28.738 0.445 0.000 1.243 421 Q HN 0.352 nan 8.270 nan 0.000 0.415 422 Q N 0.562 120.463 119.800 0.168 0.000 2.474 422 Q HA 0.313 4.652 4.340 -0.002 0.000 0.256 422 Q C -0.324 175.813 176.000 0.229 0.000 1.048 422 Q CA 0.082 55.976 55.803 0.151 0.000 0.922 422 Q CB 0.692 29.501 28.738 0.118 0.000 1.288 422 Q HN 0.772 nan 8.270 nan 0.000 0.484 423 S N -0.898 114.941 115.700 0.232 0.000 2.697 423 S HA 0.662 5.131 4.470 -0.002 0.000 0.289 423 S C 0.096 174.884 174.600 0.314 0.000 1.149 423 S CA -0.383 57.980 58.200 0.272 0.000 0.850 423 S CB 1.405 64.769 63.200 0.273 0.000 1.151 423 S HN 0.623 nan 8.310 nan 0.000 0.491 424 A N 0.074 123.043 122.820 0.248 0.000 2.016 424 A HA 0.521 4.840 4.320 -0.002 0.000 0.217 424 A C 0.465 178.154 177.584 0.175 0.000 1.162 424 A CA 0.753 52.926 52.037 0.226 0.000 0.662 424 A CB -0.341 18.734 19.000 0.124 0.000 0.812 424 A HN 0.971 nan 8.150 nan 0.000 0.450 425 V N 1.404 121.356 119.914 0.063 0.000 2.655 425 V HA 0.325 4.444 4.120 -0.002 0.000 0.301 425 V C -2.928 173.054 176.094 -0.188 0.000 1.082 425 V CA -1.740 60.454 62.300 -0.176 0.000 0.899 425 V CB 2.417 34.198 31.823 -0.070 0.000 1.014 425 V HN 0.177 nan 8.190 nan 0.000 0.429 426 P HA 0.462 nan 4.420 nan 0.000 0.282 426 P C -1.187 176.058 177.300 -0.093 0.000 1.274 426 P CA -0.021 62.976 63.100 -0.173 0.000 0.770 426 P CB 1.125 32.679 31.700 -0.244 0.000 0.867 427 L N 2.433 123.638 121.223 -0.031 0.000 2.393 427 L HA 0.357 4.696 4.340 -0.002 0.000 0.260 427 L C 1.146 178.005 176.870 -0.018 0.000 1.002 427 L CA -0.794 54.028 54.840 -0.030 0.000 0.818 427 L CB 1.828 43.870 42.059 -0.028 0.000 1.369 427 L HN 0.102 nan 8.230 nan 0.000 0.412 428 D N 0.333 120.719 120.400 -0.024 0.000 2.144 428 D HA -0.076 4.563 4.640 -0.002 0.000 0.199 428 D C -0.011 176.271 176.300 -0.029 0.000 0.984 428 D CA 1.537 55.524 54.000 -0.020 0.000 0.834 428 D CB 0.390 41.176 40.800 -0.022 0.000 0.955 428 D HN 0.437 nan 8.370 nan 0.000 0.465 429 E N 0.584 120.752 120.200 -0.053 0.000 2.256 429 E HA 0.136 4.485 4.350 -0.002 0.000 0.268 429 E C -0.339 176.233 176.600 -0.047 0.000 0.877 429 E CA -0.610 55.745 56.400 -0.076 0.000 0.757 429 E CB 2.447 32.028 29.700 -0.198 0.000 1.183 429 E HN -0.004 nan 8.360 nan 0.000 0.418 430 E N 1.960 122.170 120.200 0.017 0.000 2.418 430 E HA 0.033 4.382 4.350 -0.002 0.000 0.261 430 E C -0.720 175.998 176.600 0.197 0.000 1.070 430 E CA 0.521 56.984 56.400 0.105 0.000 0.931 430 E CB 0.990 30.727 29.700 0.062 0.000 0.954 430 E HN 0.296 nan 8.360 nan 0.000 0.439 431 T N 3.110 117.792 114.554 0.213 0.000 2.928 431 T HA 0.215 4.564 4.350 -0.002 0.000 0.284 431 T C -0.435 174.460 174.700 0.324 0.000 1.008 431 T CA -0.593 61.610 62.100 0.171 0.000 1.057 431 T CB 0.340 69.270 68.868 0.103 0.000 1.018 431 T HN 0.349 nan 8.240 nan 0.000 0.493 432 H N 0.675 119.812 119.070 0.112 0.000 2.895 432 H HA 0.450 5.006 4.556 -0.001 0.000 0.371 432 H C 0.411 175.784 175.328 0.075 0.000 1.219 432 H CA -0.270 55.756 56.048 -0.037 0.000 1.431 432 H CB 0.108 29.831 29.762 -0.065 0.000 1.414 432 H HN 0.700 nan 8.280 nan 0.000 0.617 433 A N -0.091 122.869 122.820 0.234 0.000 2.384 433 A HA 0.572 4.891 4.320 -0.002 0.000 0.312 433 A C 1.244 178.944 177.584 0.193 0.000 1.113 433 A CA -0.170 51.986 52.037 0.198 0.000 0.779 433 A CB 1.130 20.241 19.000 0.185 0.000 1.307 433 A HN 0.730 nan 8.150 nan 0.000 0.436 434 G N -0.004 108.893 108.800 0.162 0.000 2.939 434 G HA2 0.218 4.177 3.960 -0.002 0.000 0.210 434 G HA3 0.218 4.177 3.960 -0.002 0.000 0.210 434 G C 0.486 175.465 174.900 0.133 0.000 1.160 434 G CA 0.477 45.673 45.100 0.160 0.000 0.770 434 G HN 0.821 nan 8.290 nan 0.000 0.543 435 E N 1.720 121.988 120.200 0.113 0.000 2.392 435 E HA 0.059 4.408 4.350 -0.002 0.000 0.259 435 E C -1.062 175.592 176.600 0.089 0.000 1.108 435 E CA -0.454 55.998 56.400 0.086 0.000 0.916 435 E CB 0.677 30.420 29.700 0.071 0.000 0.989 435 E HN -0.040 nan 8.360 nan 0.000 0.432 436 D N 0.612 121.052 120.400 0.067 0.000 2.419 436 D HA 0.148 4.787 4.640 -0.002 0.000 0.236 436 D C 0.205 176.532 176.300 0.045 0.000 1.165 436 D CA 0.046 54.079 54.000 0.056 0.000 0.882 436 D CB 0.876 41.694 40.800 0.030 0.000 1.201 436 D HN 0.414 nan 8.370 nan 0.000 0.443 437 V N -2.010 117.924 119.914 0.034 0.000 3.019 437 V HA 0.866 4.985 4.120 -0.002 0.000 0.317 437 V C -0.127 175.948 176.094 -0.033 0.000 1.094 437 V CA -1.218 61.092 62.300 0.017 0.000 1.000 437 V CB 1.536 33.372 31.823 0.023 0.000 1.060 437 V HN 0.584 nan 8.190 nan 0.000 0.443 438 A N 1.590 124.367 122.820 -0.072 0.000 2.322 438 A HA 0.764 5.083 4.320 -0.002 0.000 0.269 438 A C -0.286 177.167 177.584 -0.218 0.000 1.094 438 A CA -0.486 51.406 52.037 -0.242 0.000 0.807 438 A CB 0.833 19.553 19.000 -0.466 0.000 1.047 438 A HN 1.414 nan 8.150 nan 0.000 0.487 439 V N 1.877 121.626 119.914 -0.276 0.000 2.487 439 V HA 0.477 4.596 4.120 -0.002 0.000 0.298 439 V C -1.083 174.894 176.094 -0.194 0.000 1.028 439 V CA -0.215 62.023 62.300 -0.104 0.000 0.860 439 V CB 0.821 32.667 31.823 0.039 0.000 0.991 439 V HN 0.678 nan 8.190 nan 0.000 0.427 440 F N 2.721 122.712 119.950 0.069 0.000 2.469 440 F HA 0.863 5.389 4.527 -0.002 0.000 0.332 440 F C 0.445 176.440 175.800 0.325 0.000 1.103 440 F CA -0.519 57.543 58.000 0.104 0.000 0.979 440 F CB 2.013 40.895 39.000 -0.196 0.000 1.137 440 F HN 0.598 nan 8.300 nan 0.000 0.463 441 A N 3.595 126.811 122.820 0.661 0.000 2.486 441 A HA 0.936 5.255 4.320 -0.002 0.000 0.300 441 A C -1.002 176.882 177.584 0.500 0.000 1.048 441 A CA -0.923 51.482 52.037 0.614 0.000 0.696 441 A CB 1.957 21.209 19.000 0.419 0.000 1.278 441 A HN 0.921 nan 8.150 nan 0.000 0.405 442 R N 0.893 121.533 120.500 0.233 0.000 2.740 442 R HA 0.844 5.184 4.340 -0.002 0.000 0.273 442 R C 0.183 176.485 176.300 0.004 0.000 0.998 442 R CA 0.026 56.117 56.100 -0.015 0.000 0.900 442 R CB 1.359 31.355 30.300 -0.507 0.000 1.223 442 R HN 2.560 nan 8.270 nan 0.000 0.466 443 G N 0.895 109.700 108.800 0.009 0.000 2.526 443 G HA2 -0.083 3.876 3.960 -0.002 0.000 0.250 443 G HA3 -0.083 3.876 3.960 -0.002 0.000 0.250 443 G C -2.837 172.052 174.900 -0.018 0.000 1.289 443 G CA -0.819 44.272 45.100 -0.015 0.000 0.947 443 G HN 0.562 nan 8.290 nan 0.000 0.517 444 P HA 0.341 nan 4.420 nan 0.000 0.267 444 P C 0.096 177.345 177.300 -0.086 0.000 1.209 444 P CA 0.771 63.823 63.100 -0.080 0.000 0.763 444 P CB 0.788 32.446 31.700 -0.071 0.000 0.816 445 Q N 1.370 121.053 119.800 -0.195 0.000 2.424 445 Q HA -0.264 4.075 4.340 -0.002 0.000 0.234 445 Q C 1.217 177.164 176.000 -0.089 0.000 0.748 445 Q CA 1.448 57.148 55.803 -0.171 0.000 1.286 445 Q CB -2.790 26.005 28.738 0.095 0.000 1.494 445 Q HN 0.633 nan 8.270 nan 0.000 0.683 446 A N 0.670 123.424 122.820 -0.110 0.000 2.019 446 A HA -0.179 4.140 4.320 -0.002 0.000 0.219 446 A C 1.745 179.172 177.584 -0.261 0.000 1.164 446 A CA 1.651 53.695 52.037 0.012 0.000 0.644 446 A CB -1.081 18.046 19.000 0.210 0.000 0.805 446 A HN 0.773 nan 8.150 nan 0.000 0.449 447 H N -1.341 117.315 119.070 -0.689 0.000 2.543 447 H HA 0.091 4.646 4.556 -0.002 0.000 0.286 447 H C 1.460 176.556 175.328 -0.386 0.000 1.037 447 H CA 0.724 56.127 56.048 -1.074 0.000 1.250 447 H CB -0.350 29.032 29.762 -0.635 0.000 1.373 447 H HN 0.433 nan 8.280 nan 0.000 0.580 448 L N 1.277 122.660 121.223 0.267 0.000 2.395 448 L HA 0.046 4.386 4.340 -0.002 0.000 0.218 448 L C 0.483 177.602 176.870 0.415 0.000 1.130 448 L CA -0.101 54.897 54.840 0.264 0.000 0.826 448 L CB 0.295 42.516 42.059 0.270 0.000 0.941 448 L HN 0.116 nan 8.230 nan 0.000 0.451 449 V N 2.520 122.625 119.914 0.319 0.000 2.397 449 V HA 0.101 4.220 4.120 -0.002 0.000 0.262 449 V C -0.058 176.162 176.094 0.211 0.000 1.047 449 V CA -0.073 62.420 62.300 0.321 0.000 1.003 449 V CB -0.550 31.456 31.823 0.305 0.000 1.037 449 V HN 0.338 nan 8.190 nan 0.000 0.480 450 H N 3.185 122.234 119.070 -0.035 0.000 3.042 450 H HA 0.624 5.179 4.556 -0.001 0.000 0.346 450 H C 0.125 175.375 175.328 -0.129 0.000 1.294 450 H CA -0.081 55.938 56.048 -0.049 0.000 1.141 450 H CB 1.505 31.235 29.762 -0.052 0.000 1.872 450 H HN 0.908 nan 8.280 nan 0.000 0.541 451 G N 0.143 108.785 108.800 -0.264 0.000 2.552 451 G HA2 -0.207 3.753 3.960 -0.002 0.000 0.265 451 G HA3 -0.207 3.753 3.960 -0.002 0.000 0.265 451 G C -1.104 173.633 174.900 -0.272 0.000 1.234 451 G CA 0.094 45.027 45.100 -0.279 0.000 0.944 451 G HN 0.880 nan 8.290 nan 0.000 0.568 452 V N 2.130 121.892 119.914 -0.254 0.000 2.409 452 V HA 0.664 4.784 4.120 -0.002 0.000 0.291 452 V C -0.142 175.815 176.094 -0.228 0.000 1.020 452 V CA -0.534 61.659 62.300 -0.179 0.000 0.848 452 V CB 1.431 33.196 31.823 -0.097 0.000 0.990 452 V HN 0.744 nan 8.190 nan 0.000 0.430 453 Q N 2.170 121.841 119.800 -0.215 0.000 2.433 453 Q HA 0.512 4.852 4.340 -0.002 0.000 0.279 453 Q C -0.580 175.391 176.000 -0.049 0.000 1.105 453 Q CA -0.876 54.792 55.803 -0.224 0.000 0.815 453 Q CB 2.404 30.883 28.738 -0.432 0.000 1.403 453 Q HN 0.623 nan 8.270 nan 0.000 0.435 454 E N 1.324 121.531 120.200 0.013 0.000 2.415 454 E HA -0.077 4.272 4.350 -0.002 0.000 0.262 454 E C 0.647 177.314 176.600 0.111 0.000 1.038 454 E CA 0.153 56.590 56.400 0.061 0.000 0.921 454 E CB 0.765 30.506 29.700 0.070 0.000 0.950 454 E HN 0.589 nan 8.360 nan 0.000 0.438 455 Q N 1.571 121.421 119.800 0.084 0.000 2.234 455 Q HA -0.167 4.172 4.340 -0.002 0.000 0.206 455 Q C 1.605 177.740 176.000 0.225 0.000 0.980 455 Q CA 1.967 57.863 55.803 0.154 0.000 0.869 455 Q CB -0.001 28.817 28.738 0.134 0.000 0.912 455 Q HN 0.726 nan 8.270 nan 0.000 0.436 456 T N -1.798 112.872 114.554 0.193 0.000 2.849 456 T HA -0.194 4.155 4.350 -0.002 0.000 0.270 456 T C 1.386 176.308 174.700 0.370 0.000 1.066 456 T CA 0.957 63.212 62.100 0.259 0.000 1.130 456 T CB -0.595 68.409 68.868 0.226 0.000 0.864 456 T HN 0.363 nan 8.240 nan 0.000 0.481 457 F N 1.940 121.995 119.950 0.173 0.000 2.192 457 F HA -0.052 4.474 4.527 -0.002 0.000 0.301 457 F C 1.906 177.832 175.800 0.211 0.000 1.079 457 F CA 0.671 58.772 58.000 0.167 0.000 1.303 457 F CB -0.331 38.714 39.000 0.075 0.000 1.024 457 F HN 0.067 nan 8.300 nan 0.000 0.494 458 I N 0.310 121.072 120.570 0.320 0.000 2.163 458 I HA -0.295 3.874 4.170 -0.002 0.000 0.243 458 I C 2.720 178.951 176.117 0.190 0.000 1.085 458 I CA 1.562 63.018 61.300 0.260 0.000 1.347 458 I CB -2.109 36.078 38.000 0.312 0.000 1.044 458 I HN 0.202 nan 8.210 nan 0.000 0.408 459 A N -0.169 122.767 122.820 0.193 0.000 1.898 459 A HA -0.192 4.127 4.320 -0.002 0.000 0.216 459 A C 2.231 179.833 177.584 0.031 0.000 1.181 459 A CA 1.209 53.314 52.037 0.112 0.000 0.620 459 A CB -0.859 18.159 19.000 0.030 0.000 0.819 459 A HN 0.438 nan 8.150 nan 0.000 0.442 460 H N -1.380 117.712 119.070 0.037 0.000 2.357 460 H HA -0.070 4.485 4.556 -0.002 0.000 0.301 460 H C 2.333 177.594 175.328 -0.111 0.000 1.082 460 H CA 1.665 57.739 56.048 0.043 0.000 1.342 460 H CB -0.394 29.361 29.762 -0.010 0.000 1.389 460 H HN 0.314 nan 8.280 nan 0.000 0.511 461 V N 1.235 121.011 119.914 -0.230 0.000 2.407 461 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 461 V C 2.306 178.433 176.094 0.055 0.000 1.055 461 V CA 1.340 63.516 62.300 -0.206 0.000 1.049 461 V CB -0.362 31.273 31.823 -0.314 0.000 0.662 461 V HN 0.309 nan 8.190 nan 0.000 0.455 462 M N -0.436 119.218 119.600 0.090 0.000 2.132 462 M HA -0.096 4.384 4.480 -0.002 0.000 0.263 462 M C 2.350 178.741 176.300 0.151 0.000 1.065 462 M CA 2.048 57.434 55.300 0.142 0.000 1.122 462 M CB -0.590 32.134 32.600 0.208 0.000 1.365 462 M HN 0.457 nan 8.290 nan 0.000 0.411 463 A N 0.180 123.105 122.820 0.175 0.000 1.902 463 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 463 A C 2.003 179.741 177.584 0.256 0.000 1.181 463 A CA 1.422 53.590 52.037 0.218 0.000 0.623 463 A CB -0.985 18.171 19.000 0.260 0.000 0.818 463 A HN 0.519 nan 8.150 nan 0.000 0.443 464 F N 1.105 121.098 119.950 0.072 0.000 2.102 464 F HA -0.060 4.466 4.527 -0.002 0.000 0.298 464 F C 2.494 178.277 175.800 -0.027 0.000 1.105 464 F CA 1.311 59.253 58.000 -0.096 0.000 1.239 464 F CB -0.530 38.201 39.000 -0.449 0.000 0.991 464 F HN 0.238 nan 8.300 nan 0.000 0.474 465 A N 0.272 123.057 122.820 -0.058 0.000 1.940 465 A HA -0.032 4.287 4.320 -0.002 0.000 0.219 465 A C 2.172 179.654 177.584 -0.170 0.000 1.176 465 A CA 1.699 53.657 52.037 -0.132 0.000 0.631 465 A CB -1.476 17.540 19.000 0.026 0.000 0.814 465 A HN 0.524 nan 8.150 nan 0.000 0.446 466 A N -2.463 120.306 122.820 -0.086 0.000 2.307 466 A HA 0.371 4.690 4.320 -0.002 0.000 0.218 466 A C 1.040 178.584 177.584 -0.067 0.000 1.228 466 A CA 0.570 52.570 52.037 -0.061 0.000 0.857 466 A CB -1.142 17.861 19.000 0.005 0.000 0.897 466 A HN 1.043 nan 8.150 nan 0.000 0.495 467 c N -0.900 117.630 118.600 -0.117 0.000 4.365 467 c HA -0.142 4.427 4.570 -0.002 0.000 0.299 467 c C 0.710 174.804 174.090 0.007 0.000 1.409 467 c CA 0.203 56.484 56.329 -0.080 0.000 2.007 467 c CB -3.220 39.230 42.510 -0.100 0.000 1.264 467 c HN 0.585 nan 8.230 nan 0.000 0.777 468 L N -0.215 121.038 121.223 0.050 0.000 2.416 468 L HA 0.783 5.122 4.340 -0.002 0.000 0.263 468 L C 1.091 177.993 176.870 0.053 0.000 1.065 468 L CA 0.820 55.688 54.840 0.047 0.000 0.798 468 L CB 0.339 42.427 42.059 0.048 0.000 1.267 468 L HN 0.659 nan 8.230 nan 0.000 0.467 469 E N 0.174 120.369 120.200 -0.009 0.000 3.064 469 E HA -0.212 4.137 4.350 -0.002 0.000 0.247 469 E C -2.134 174.375 176.600 -0.151 0.000 1.372 469 E CA 0.408 56.766 56.400 -0.071 0.000 1.837 469 E CB -2.988 26.676 29.700 -0.060 0.000 2.036 469 E HN 0.650 nan 8.360 nan 0.000 0.546 470 P HA 0.196 nan 4.420 nan 0.000 0.249 470 P C 0.065 177.107 177.300 -0.430 0.000 1.241 470 P CA 1.266 64.110 63.100 -0.427 0.000 0.781 470 P CB -0.426 30.960 31.700 -0.523 0.000 1.088 471 Y N -0.993 119.359 120.300 0.086 0.000 2.734 471 Y HA 0.241 4.790 4.550 -0.001 0.000 0.278 471 Y C 1.235 177.156 175.900 0.035 0.000 1.108 471 Y CA -0.711 57.457 58.100 0.114 0.000 1.211 471 Y CB 0.248 38.838 38.460 0.218 0.000 1.182 471 Y HN -0.182 nan 8.280 nan 0.000 0.547 472 T N 0.796 115.408 114.554 0.097 0.000 2.918 472 T HA 0.380 4.729 4.350 -0.002 0.000 0.302 472 T C 0.922 175.663 174.700 0.069 0.000 1.045 472 T CA 0.732 62.863 62.100 0.052 0.000 1.114 472 T CB 0.441 69.322 68.868 0.021 0.000 0.965 472 T HN 0.666 nan 8.240 nan 0.000 0.540 473 A N 2.038 124.885 122.820 0.046 0.000 2.969 473 A HA -0.169 4.150 4.320 -0.002 0.000 0.252 473 A C 1.106 178.751 177.584 0.102 0.000 1.377 473 A CA 0.600 52.675 52.037 0.064 0.000 0.859 473 A CB -3.077 15.967 19.000 0.072 0.000 1.077 473 A HN 1.683 nan 8.150 nan 0.000 0.671 474 c N -1.534 117.101 118.600 0.059 0.000 2.801 474 c HA 0.503 5.072 4.570 -0.002 0.000 0.376 474 c C 1.069 175.170 174.090 0.019 0.000 1.323 474 c CA 0.602 56.926 56.329 -0.009 0.000 2.170 474 c CB 0.065 42.331 42.510 -0.406 0.000 2.650 474 c HN 0.693 nan 8.230 nan 0.000 0.736 475 D N 0.001 120.439 120.400 0.064 0.000 2.722 475 D HA 0.372 5.011 4.640 -0.002 0.000 0.239 475 D C -0.266 176.043 176.300 0.015 0.000 1.249 475 D CA -0.145 53.889 54.000 0.056 0.000 0.830 475 D CB -0.243 40.616 40.800 0.097 0.000 1.025 475 D HN 0.377 nan 8.370 nan 0.000 0.486 476 L N 0.846 122.040 121.223 -0.049 0.000 2.334 476 L HA 0.646 4.985 4.340 -0.002 0.000 0.275 476 L C 0.672 177.516 176.870 -0.044 0.000 1.036 476 L CA -1.241 53.563 54.840 -0.060 0.000 0.807 476 L CB 0.999 42.969 42.059 -0.149 0.000 1.231 476 L HN -0.021 nan 8.230 nan 0.000 0.438 477 A N 4.087 126.890 122.820 -0.028 0.000 2.346 477 A HA 0.610 4.930 4.320 -0.002 0.000 0.252 477 A C -2.243 175.319 177.584 -0.037 0.000 1.089 477 A CA -0.881 51.142 52.037 -0.024 0.000 0.797 477 A CB -0.682 18.310 19.000 -0.013 0.000 1.047 477 A HN 0.587 nan 8.150 nan 0.000 0.494 478 P HA 0.275 nan 4.420 nan 0.000 0.272 478 P C -2.318 174.960 177.300 -0.037 0.000 1.230 478 P CA -0.881 62.199 63.100 -0.034 0.000 0.788 478 P CB -0.428 31.258 31.700 -0.024 0.000 0.949 479 P HA 0.000 nan 4.420 nan 0.000 0.216 479 P CA 0.000 63.073 63.100 -0.045 0.000 0.800 479 P CB 0.000 31.669 31.700 -0.052 0.000 0.726