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 2iy5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVPFSWLKA YVPELESPEV LEERLAGLGF ETDRIERVFP IPRGVVFARV DATA SEQUENCE LEAHPIPGTR LKRLVLDAGR TVEVVSGAEN ARKGIGVALA LPGTELPGLG DATA SEQUENCE QKVGERVIQG VRSFGMALSP RELGVGEYGG GLLEFPEDAL PPGTPLSEAW DATA SEQUENCE PEEVVLDLEV TPNRPDALGL LGLARDLHAL GYALVEPEAA LKAEALPLPF DATA SEQUENCE ALKVEDPEGA PHFTLGYAFG LRVAPSPLWM QRALFAAGMR PINNVVDVTN DATA SEQUENCE YVMLERAQPM HAFDLRFVGE GIAVRRAREG ERLKTLDGVE RTLHPEDLVI DATA SEQUENCE AGWRGEESFP LGLAGVMGGA ESEVREDTEA IALEVACFDP VSIRKTARRH DATA SEQUENCE GLRTEASHRF ERGVDPLGQV PAQRRALSLL QALAGARVAE ALLEAGSPKP DATA SEQUENCE PEAIPFRPEY ANRLLGTSYP EAEQIAILKR LGCRVEGEGP TYRVTPPSHR DATA SEQUENCE LDLRLEEDLV EEVARIEGYE TIPLALPAFF PAPDNRAVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAEA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRARGFGLR G 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.032 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 R N 2.828 123.317 120.500 -0.020 0.000 2.347 2 R HA 0.514 4.861 4.340 0.013 0.000 0.304 2 R C -1.023 175.255 176.300 -0.036 0.000 1.072 2 R CA -0.339 55.761 56.100 -0.000 0.000 0.980 2 R CB 0.985 31.313 30.300 0.047 0.000 0.986 2 R HN 0.465 nan 8.270 nan 0.000 0.448 3 V N 6.058 125.957 119.914 -0.025 0.000 2.325 3 V HA 0.218 4.346 4.120 0.013 0.000 0.280 3 V C -2.252 173.871 176.094 0.048 0.000 1.016 3 V CA -2.106 60.162 62.300 -0.053 0.000 0.818 3 V CB 1.639 33.411 31.823 -0.084 0.000 1.019 3 V HN 0.629 nan 8.190 nan 0.000 0.434 4 P HA 0.148 nan 4.420 nan 0.000 0.273 4 P C 0.749 178.189 177.300 0.233 0.000 1.319 4 P CA -0.130 63.106 63.100 0.226 0.000 0.885 4 P CB 0.266 32.202 31.700 0.393 0.000 1.015 5 F N 4.182 124.166 119.950 0.056 0.000 2.053 5 F HA -0.385 4.150 4.527 0.013 0.000 0.295 5 F C 2.170 178.010 175.800 0.066 0.000 1.102 5 F CA 2.863 60.884 58.000 0.035 0.000 1.225 5 F CB -0.852 38.155 39.000 0.012 0.000 0.961 5 F HN 0.283 nan 8.300 nan 0.000 0.495 6 S N -0.725 115.041 115.700 0.110 0.000 2.423 6 S HA -0.235 4.243 4.470 0.013 0.000 0.231 6 S C 1.930 176.551 174.600 0.035 0.000 1.014 6 S CA 0.854 59.053 58.200 -0.001 0.000 0.965 6 S CB -1.302 61.953 63.200 0.092 0.000 0.785 6 S HN 0.676 nan 8.310 nan 0.000 0.495 7 W N 2.037 123.291 121.300 -0.077 0.000 2.409 7 W HA 0.146 4.814 4.660 0.013 0.000 0.299 7 W C 1.851 178.294 176.519 -0.127 0.000 1.203 7 W CA 0.346 57.652 57.345 -0.066 0.000 1.298 7 W CB -0.925 28.554 29.460 0.032 0.000 1.127 7 W HN 0.383 nan 8.180 nan 0.000 0.528 8 L N 2.046 123.336 121.223 0.113 0.000 2.005 8 L HA -0.133 4.215 4.340 0.013 0.000 0.207 8 L C 2.509 179.318 176.870 -0.101 0.000 1.072 8 L CA 2.474 57.317 54.840 0.005 0.000 0.744 8 L CB -1.342 40.633 42.059 -0.141 0.000 0.895 8 L HN -0.087 nan 8.230 nan 0.000 0.433 9 K N -0.783 119.433 120.400 -0.307 0.000 2.442 9 K HA -0.172 4.155 4.320 0.013 0.000 0.200 9 K C 1.696 178.167 176.600 -0.215 0.000 1.045 9 K CA 0.981 57.060 56.287 -0.345 0.000 0.937 9 K CB -0.090 32.098 32.500 -0.520 0.000 0.757 9 K HN 0.506 nan 8.250 nan 0.000 0.474 10 A N -0.301 122.382 122.820 -0.229 0.000 2.021 10 A HA -0.046 4.282 4.320 0.013 0.000 0.216 10 A C 1.350 178.731 177.584 -0.338 0.000 1.163 10 A CA 0.706 52.547 52.037 -0.327 0.000 0.676 10 A CB -0.268 18.460 19.000 -0.452 0.000 0.818 10 A HN 0.417 nan 8.150 nan 0.000 0.453 11 Y N -1.299 118.969 120.300 -0.054 0.000 2.479 11 Y HA 0.202 4.760 4.550 0.013 0.000 0.283 11 Y C 0.583 176.419 175.900 -0.108 0.000 1.109 11 Y CA 0.247 58.300 58.100 -0.078 0.000 1.239 11 Y CB 0.605 39.011 38.460 -0.090 0.000 1.108 11 Y HN -0.005 nan 8.280 nan 0.000 0.548 12 V N 3.085 123.008 119.914 0.014 0.000 2.233 12 V HA 0.142 4.270 4.120 0.013 0.000 0.261 12 V C -1.640 174.408 176.094 -0.077 0.000 1.076 12 V CA -1.530 60.739 62.300 -0.052 0.000 1.001 12 V CB 0.361 32.093 31.823 -0.152 0.000 1.206 12 V HN 0.064 nan 8.190 nan 0.000 0.468 13 P HA -0.250 nan 4.420 nan 0.000 0.218 13 P C 0.980 178.277 177.300 -0.006 0.000 1.154 13 P CA 1.702 64.775 63.100 -0.046 0.000 0.872 13 P CB 0.354 32.035 31.700 -0.031 0.000 0.790 14 E N -0.411 119.830 120.200 0.068 0.000 2.403 14 E HA 0.128 4.486 4.350 0.013 0.000 0.187 14 E C 0.436 177.163 176.600 0.213 0.000 1.073 14 E CA -0.365 56.113 56.400 0.131 0.000 0.888 14 E CB -0.576 29.211 29.700 0.146 0.000 1.035 14 E HN 0.275 nan 8.360 nan 0.000 0.471 15 L N 2.061 123.347 121.223 0.106 0.000 2.540 15 L HA -0.052 4.296 4.340 0.013 0.000 0.276 15 L C 1.228 178.249 176.870 0.251 0.000 1.212 15 L CA -0.059 54.853 54.840 0.120 0.000 0.893 15 L CB 0.452 42.434 42.059 -0.129 0.000 1.138 15 L HN 0.076 nan 8.230 nan 0.000 0.491 16 E N 1.328 121.703 120.200 0.292 0.000 2.047 16 E HA -0.085 4.273 4.350 0.013 0.000 0.191 16 E C 0.174 176.907 176.600 0.221 0.000 0.987 16 E CA 1.284 57.820 56.400 0.226 0.000 0.799 16 E CB 0.165 29.972 29.700 0.177 0.000 0.752 16 E HN 0.769 nan 8.360 nan 0.000 0.449 17 S N -3.391 112.450 115.700 0.236 0.000 2.633 17 S HA 0.210 4.688 4.470 0.013 0.000 0.271 17 S C -2.647 171.783 174.600 -0.284 0.000 1.112 17 S CA -1.173 57.001 58.200 -0.043 0.000 0.828 17 S CB 1.055 64.212 63.200 -0.072 0.000 1.086 17 S HN -0.263 nan 8.310 nan 0.000 0.461 18 P HA -0.101 nan 4.420 nan 0.000 0.216 18 P C 1.070 178.260 177.300 -0.183 0.000 1.150 18 P CA 1.637 64.363 63.100 -0.624 0.000 0.843 18 P CB 0.036 31.361 31.700 -0.626 0.000 0.787 19 E N -0.732 119.380 120.200 -0.147 0.000 2.007 19 E HA -0.134 4.224 4.350 0.013 0.000 0.194 19 E C 2.081 178.681 176.600 -0.000 0.000 0.999 19 E CA 1.056 57.423 56.400 -0.056 0.000 0.811 19 E CB -1.486 28.186 29.700 -0.046 0.000 0.762 19 E HN -0.051 nan 8.360 nan 0.000 0.450 20 V N 0.929 120.860 119.914 0.028 0.000 2.380 20 V HA -0.244 3.884 4.120 0.013 0.000 0.251 20 V C 2.274 178.426 176.094 0.097 0.000 1.063 20 V CA 1.603 63.949 62.300 0.078 0.000 1.055 20 V CB -0.484 31.410 31.823 0.119 0.000 0.657 20 V HN 0.234 nan 8.190 nan 0.000 0.455 21 L N 0.679 121.971 121.223 0.115 0.000 2.083 21 L HA -0.194 4.154 4.340 0.013 0.000 0.209 21 L C 2.491 179.399 176.870 0.064 0.000 1.083 21 L CA 2.470 57.374 54.840 0.107 0.000 0.752 21 L CB -0.741 41.448 42.059 0.217 0.000 0.899 21 L HN 0.595 nan 8.230 nan 0.000 0.433 22 E N -0.762 119.469 120.200 0.051 0.000 2.152 22 E HA -0.234 4.124 4.350 0.013 0.000 0.192 22 E C 1.818 178.444 176.600 0.044 0.000 0.983 22 E CA 1.219 57.643 56.400 0.039 0.000 0.818 22 E CB -0.221 29.491 29.700 0.020 0.000 0.758 22 E HN 0.691 nan 8.360 nan 0.000 0.467 23 E N 0.084 120.311 120.200 0.046 0.000 2.072 23 E HA -0.137 4.220 4.350 0.013 0.000 0.191 23 E C 2.345 178.979 176.600 0.057 0.000 0.985 23 E CA 0.618 57.045 56.400 0.046 0.000 0.801 23 E CB 0.095 29.824 29.700 0.049 0.000 0.750 23 E HN 0.148 nan 8.360 nan 0.000 0.452 24 R N 0.589 121.135 120.500 0.076 0.000 2.062 24 R HA -0.079 4.269 4.340 0.013 0.000 0.231 24 R C 2.483 178.834 176.300 0.086 0.000 1.136 24 R CA 0.931 57.086 56.100 0.092 0.000 0.948 24 R CB -0.922 29.440 30.300 0.104 0.000 0.845 24 R HN 0.245 nan 8.270 nan 0.000 0.430 25 L N 0.605 121.879 121.223 0.085 0.000 2.191 25 L HA -0.132 4.215 4.340 0.013 0.000 0.212 25 L C 2.604 179.585 176.870 0.184 0.000 1.103 25 L CA 1.044 55.981 54.840 0.163 0.000 0.769 25 L CB -0.675 41.445 42.059 0.102 0.000 0.908 25 L HN 0.157 nan 8.230 nan 0.000 0.438 26 A N 0.784 123.655 122.820 0.085 0.000 1.834 26 A HA -0.170 4.157 4.320 0.013 0.000 0.216 26 A C 2.416 179.977 177.584 -0.039 0.000 1.203 26 A CA 1.869 53.922 52.037 0.027 0.000 0.621 26 A CB -1.506 17.502 19.000 0.014 0.000 0.841 26 A HN 0.400 nan 8.150 nan 0.000 0.446 27 G N -0.764 108.015 108.800 -0.035 0.000 2.499 27 G HA2 -0.135 3.832 3.960 0.013 0.000 0.221 27 G HA3 -0.135 3.832 3.960 0.013 0.000 0.221 27 G C 1.413 176.230 174.900 -0.139 0.000 1.109 27 G CA 1.024 46.065 45.100 -0.098 0.000 0.749 27 G HN 0.426 nan 8.290 nan 0.000 0.568 28 L N -0.503 120.695 121.223 -0.042 0.000 2.418 28 L HA 0.251 4.599 4.340 0.013 0.000 0.218 28 L C 1.996 178.701 176.870 -0.275 0.000 1.125 28 L CA 0.702 55.528 54.840 -0.025 0.000 0.835 28 L CB 0.228 42.415 42.059 0.214 0.000 0.953 28 L HN 0.405 nan 8.230 nan 0.000 0.454 29 G N -0.748 107.818 108.800 -0.391 0.000 2.164 29 G HA2 -0.186 3.782 3.960 0.013 0.000 0.154 29 G HA3 -0.186 3.782 3.960 0.013 0.000 0.154 29 G C -0.240 174.129 174.900 -0.886 0.000 1.014 29 G CA -0.716 43.972 45.100 -0.686 0.000 0.683 29 G HN 0.119 nan 8.290 nan 0.000 0.500 30 F N 1.563 121.476 119.950 -0.061 0.000 2.579 30 F HA 0.567 5.101 4.527 0.013 0.000 0.325 30 F C 0.077 175.855 175.800 -0.035 0.000 1.162 30 F CA -1.281 56.694 58.000 -0.042 0.000 0.946 30 F CB 1.467 40.444 39.000 -0.039 0.000 1.211 30 F HN 0.266 nan 8.300 nan 0.000 0.447 31 E N 0.094 120.362 120.200 0.113 0.000 2.216 31 E HA 0.533 4.890 4.350 0.013 0.000 0.279 31 E C -0.574 176.067 176.600 0.069 0.000 0.997 31 E CA -0.970 55.470 56.400 0.067 0.000 0.817 31 E CB 1.685 31.401 29.700 0.028 0.000 1.096 31 E HN 0.518 nan 8.360 nan 0.000 0.393 32 T N 0.869 115.452 114.554 0.049 0.000 2.743 32 T HA 0.137 4.494 4.350 0.013 0.000 0.293 32 T C 0.116 174.830 174.700 0.023 0.000 0.945 32 T CA -0.825 61.296 62.100 0.034 0.000 1.030 32 T CB 0.998 69.881 68.868 0.025 0.000 0.912 32 T HN 0.390 nan 8.240 nan 0.000 0.483 33 D N 2.909 123.322 120.400 0.022 0.000 2.219 33 D HA 0.006 4.654 4.640 0.013 0.000 0.205 33 D C 1.177 177.484 176.300 0.011 0.000 0.970 33 D CA 1.108 55.118 54.000 0.016 0.000 0.851 33 D CB 0.149 40.959 40.800 0.016 0.000 0.943 33 D HN 0.841 nan 8.370 nan 0.000 0.488 34 R N -1.227 119.278 120.500 0.008 0.000 2.741 34 R HA 0.605 4.953 4.340 0.013 0.000 0.276 34 R C -1.746 174.552 176.300 -0.003 0.000 1.028 34 R CA -0.800 55.302 56.100 0.002 0.000 0.865 34 R CB 0.714 31.016 30.300 0.003 0.000 1.268 34 R HN -0.214 nan 8.270 nan 0.000 0.475 35 I N 0.459 121.022 120.570 -0.012 0.000 2.686 35 I HA 0.412 4.590 4.170 0.013 0.000 0.295 35 I C -1.060 175.039 176.117 -0.030 0.000 1.114 35 I CA -0.371 60.915 61.300 -0.024 0.000 1.038 35 I CB 2.304 40.280 38.000 -0.039 0.000 1.238 35 I HN 0.785 nan 8.210 nan 0.000 0.420 36 E N 4.128 124.305 120.200 -0.039 0.000 2.378 36 E HA 0.518 4.876 4.350 0.013 0.000 0.283 36 E C -1.347 175.210 176.600 -0.071 0.000 0.979 36 E CA -1.149 55.224 56.400 -0.046 0.000 0.795 36 E CB 1.532 31.213 29.700 -0.032 0.000 1.221 36 E HN 0.355 nan 8.360 nan 0.000 0.428 37 R N 1.120 121.579 120.500 -0.069 0.000 2.438 37 R HA 0.221 4.569 4.340 0.013 0.000 0.287 37 R C 0.843 177.073 176.300 -0.118 0.000 1.077 37 R CA 0.403 56.453 56.100 -0.084 0.000 1.034 37 R CB 1.327 31.597 30.300 -0.049 0.000 0.993 37 R HN 0.601 nan 8.270 nan 0.000 0.459 38 V N -0.378 119.398 119.914 -0.230 0.000 3.371 38 V HA 0.252 4.380 4.120 0.013 0.000 0.246 38 V C 0.462 176.444 176.094 -0.186 0.000 1.303 38 V CA 0.168 62.252 62.300 -0.359 0.000 1.156 38 V CB 0.173 31.524 31.823 -0.785 0.000 0.929 38 V HN 0.561 nan 8.190 nan 0.000 0.459 39 F N 2.987 123.018 119.950 0.135 0.000 2.532 39 F HA 0.567 5.102 4.527 0.013 0.000 0.313 39 F C -2.566 173.279 175.800 0.076 0.000 1.301 39 F CA -2.186 55.897 58.000 0.138 0.000 1.154 39 F CB 0.861 40.072 39.000 0.352 0.000 1.335 39 F HN 0.104 nan 8.300 nan 0.000 0.542 40 P HA 0.116 nan 4.420 nan 0.000 0.274 40 P C -0.367 176.969 177.300 0.061 0.000 1.291 40 P CA 0.455 63.616 63.100 0.101 0.000 0.815 40 P CB 0.429 32.164 31.700 0.060 0.000 0.897 41 I N 5.973 126.572 120.570 0.048 0.000 2.382 41 I HA 0.309 4.487 4.170 0.013 0.000 0.285 41 I C -2.004 174.111 176.117 -0.003 0.000 1.007 41 I CA -2.708 58.581 61.300 -0.017 0.000 1.142 41 I CB 1.525 39.480 38.000 -0.076 0.000 1.289 41 I HN 0.093 nan 8.210 nan 0.000 0.453 42 P HA 0.047 nan 4.420 nan 0.000 0.269 42 P C 0.668 177.966 177.300 -0.003 0.000 1.211 42 P CA -0.301 62.795 63.100 -0.008 0.000 0.781 42 P CB 0.713 32.401 31.700 -0.021 0.000 0.877 43 R N 1.349 121.852 120.500 0.005 0.000 2.193 43 R HA -0.087 4.261 4.340 0.013 0.000 0.229 43 R C 2.034 178.338 176.300 0.006 0.000 1.110 43 R CA 1.546 57.654 56.100 0.013 0.000 0.988 43 R CB -0.911 29.399 30.300 0.015 0.000 0.871 43 R HN 0.724 nan 8.270 nan 0.000 0.458 44 G N -0.070 108.724 108.800 -0.010 0.000 2.509 44 G HA2 -0.044 3.924 3.960 0.013 0.000 0.218 44 G HA3 -0.044 3.924 3.960 0.013 0.000 0.218 44 G C 0.279 175.163 174.900 -0.027 0.000 1.124 44 G CA 0.163 45.248 45.100 -0.024 0.000 0.776 44 G HN 0.107 nan 8.290 nan 0.000 0.547 45 V N 1.481 121.383 119.914 -0.020 0.000 2.383 45 V HA 0.475 4.603 4.120 0.013 0.000 0.275 45 V C 0.392 176.502 176.094 0.027 0.000 1.036 45 V CA -0.822 61.467 62.300 -0.018 0.000 0.889 45 V CB 1.011 32.807 31.823 -0.045 0.000 0.985 45 V HN 0.211 nan 8.190 nan 0.000 0.459 46 V N 2.505 122.447 119.914 0.048 0.000 3.166 46 V HA 0.708 4.836 4.120 0.013 0.000 0.317 46 V C -0.621 175.576 176.094 0.173 0.000 1.136 46 V CA -1.033 61.331 62.300 0.108 0.000 1.035 46 V CB 1.991 33.869 31.823 0.092 0.000 1.110 46 V HN 0.567 nan 8.190 nan 0.000 0.450 47 F N 1.324 121.328 119.950 0.090 0.000 2.385 47 F HA 0.846 5.381 4.527 0.013 0.000 0.336 47 F C 0.196 176.054 175.800 0.098 0.000 1.100 47 F CA 0.113 58.198 58.000 0.142 0.000 1.116 47 F CB 0.825 39.908 39.000 0.138 0.000 1.166 47 F HN 1.047 nan 8.300 nan 0.000 0.511 48 A N 5.960 128.318 122.820 -0.770 0.000 2.527 48 A HA 0.745 5.073 4.320 0.013 0.000 0.293 48 A C -1.318 175.796 177.584 -0.783 0.000 1.117 48 A CA -1.021 50.691 52.037 -0.542 0.000 0.723 48 A CB 1.578 20.425 19.000 -0.255 0.000 1.313 48 A HN 0.828 nan 8.150 nan 0.000 0.411 49 R N 1.259 121.523 120.500 -0.394 0.000 2.388 49 R HA 0.496 4.844 4.340 0.013 0.000 0.314 49 R C -1.457 174.753 176.300 -0.150 0.000 0.959 49 R CA -0.450 55.490 56.100 -0.265 0.000 0.851 49 R CB 1.278 31.518 30.300 -0.101 0.000 1.168 49 R HN 0.515 nan 8.270 nan 0.000 0.472 50 V N 7.571 127.400 119.914 -0.142 0.000 2.450 50 V HA -0.082 4.045 4.120 0.013 0.000 0.264 50 V C 1.682 177.733 176.094 -0.073 0.000 0.996 50 V CA 0.600 62.839 62.300 -0.102 0.000 1.138 50 V CB -0.090 31.672 31.823 -0.102 0.000 1.051 50 V HN 0.853 nan 8.190 nan 0.000 0.470 51 L N 2.351 123.539 121.223 -0.059 0.000 2.005 51 L HA 0.065 4.413 4.340 0.013 0.000 0.207 51 L C 1.067 177.897 176.870 -0.065 0.000 1.072 51 L CA 1.247 56.062 54.840 -0.041 0.000 0.744 51 L CB 0.016 42.064 42.059 -0.019 0.000 0.895 51 L HN 0.627 nan 8.230 nan 0.000 0.433 52 E N -0.975 119.169 120.200 -0.092 0.000 2.372 52 E HA 0.555 4.913 4.350 0.013 0.000 0.279 52 E C -1.623 174.818 176.600 -0.264 0.000 0.946 52 E CA -0.458 55.816 56.400 -0.210 0.000 0.769 52 E CB 1.893 31.426 29.700 -0.278 0.000 1.230 52 E HN 0.079 nan 8.360 nan 0.000 0.442 53 A N 3.810 126.433 122.820 -0.328 0.000 2.277 53 A HA 0.573 4.901 4.320 0.013 0.000 0.318 53 A C -1.294 176.119 177.584 -0.285 0.000 1.339 53 A CA -0.509 51.394 52.037 -0.222 0.000 0.875 53 A CB -0.022 18.899 19.000 -0.131 0.000 1.158 53 A HN 0.666 nan 8.150 nan 0.000 0.514 54 H N 3.659 122.718 119.070 -0.018 0.000 2.504 54 H HA 0.383 4.947 4.556 0.013 0.000 0.322 54 H C -2.366 172.953 175.328 -0.014 0.000 1.055 54 H CA -1.602 54.437 56.048 -0.014 0.000 1.231 54 H CB 1.606 31.360 29.762 -0.014 0.000 1.417 54 H HN 0.467 nan 8.280 nan 0.000 0.472 55 P HA 0.009 nan 4.420 nan 0.000 0.271 55 P C -0.121 177.207 177.300 0.047 0.000 1.233 55 P CA 0.173 63.303 63.100 0.050 0.000 0.764 55 P CB 0.781 32.501 31.700 0.033 0.000 0.825 56 I N 6.819 127.407 120.570 0.030 0.000 2.406 56 I HA 0.070 4.248 4.170 0.013 0.000 0.293 56 I C -1.352 174.770 176.117 0.010 0.000 1.101 56 I CA -1.989 59.322 61.300 0.017 0.000 1.334 56 I CB 0.133 38.140 38.000 0.011 0.000 1.421 56 I HN 0.152 nan 8.210 nan 0.000 0.513 57 P HA -0.099 nan 4.420 nan 0.000 0.263 57 P C 0.892 178.193 177.300 0.001 0.000 1.175 57 P CA 0.957 64.059 63.100 0.004 0.000 0.761 57 P CB 0.799 32.499 31.700 0.000 0.000 0.794 58 G N 1.735 110.535 108.800 0.001 0.000 2.304 58 G HA2 -0.256 3.712 3.960 0.013 0.000 0.252 58 G HA3 -0.256 3.712 3.960 0.013 0.000 0.252 58 G C 0.434 175.333 174.900 -0.001 0.000 1.014 58 G CA 0.744 45.844 45.100 -0.001 0.000 0.619 58 G HN 0.935 nan 8.290 nan 0.000 0.525 59 T N -3.133 111.421 114.554 -0.000 0.000 2.892 59 T HA 0.739 5.097 4.350 0.013 0.000 0.280 59 T C 0.820 175.519 174.700 -0.001 0.000 1.004 59 T CA -0.069 62.030 62.100 -0.002 0.000 0.950 59 T CB 1.661 70.528 68.868 -0.002 0.000 1.309 59 T HN 0.173 nan 8.240 nan 0.000 0.592 60 R N -0.489 120.009 120.500 -0.004 0.000 2.596 60 R HA 0.416 4.763 4.340 0.013 0.000 0.369 60 R C -0.262 176.033 176.300 -0.007 0.000 1.042 60 R CA -0.180 55.917 56.100 -0.005 0.000 1.120 60 R CB 0.125 30.421 30.300 -0.006 0.000 1.353 60 R HN 0.506 nan 8.270 nan 0.000 0.564 61 L N 0.361 121.581 121.223 -0.005 0.000 2.376 61 L HA 0.513 4.861 4.340 0.013 0.000 0.267 61 L C -0.053 176.817 176.870 -0.000 0.000 1.035 61 L CA -0.815 54.021 54.840 -0.007 0.000 0.800 61 L CB 1.191 43.245 42.059 -0.007 0.000 1.290 61 L HN -0.172 nan 8.230 nan 0.000 0.462 62 K N 0.570 120.969 120.400 -0.002 0.000 2.464 62 K HA 0.421 4.749 4.320 0.013 0.000 0.253 62 K C -1.224 175.386 176.600 0.016 0.000 0.933 62 K CA -0.858 55.434 56.287 0.009 0.000 0.801 62 K CB 2.876 35.372 32.500 -0.007 0.000 1.271 62 K HN 0.395 nan 8.250 nan 0.000 0.430 63 R N 4.022 124.551 120.500 0.047 0.000 2.207 63 R HA 0.330 4.678 4.340 0.013 0.000 0.334 63 R C -0.983 175.356 176.300 0.065 0.000 1.013 63 R CA -0.395 55.739 56.100 0.058 0.000 0.858 63 R CB 0.356 30.701 30.300 0.076 0.000 1.094 63 R HN 0.515 nan 8.270 nan 0.000 0.457 64 L N 4.963 126.203 121.223 0.028 0.000 2.307 64 L HA 0.440 4.788 4.340 0.013 0.000 0.282 64 L C -0.509 176.374 176.870 0.022 0.000 1.051 64 L CA -1.188 53.652 54.840 0.001 0.000 0.804 64 L CB 1.936 43.976 42.059 -0.032 0.000 1.197 64 L HN 0.375 nan 8.230 nan 0.000 0.431 65 V N 5.105 125.029 119.914 0.018 0.000 2.347 65 V HA 0.441 4.569 4.120 0.013 0.000 0.280 65 V C 0.064 176.150 176.094 -0.014 0.000 1.021 65 V CA -0.383 61.932 62.300 0.025 0.000 0.847 65 V CB 1.368 33.228 31.823 0.062 0.000 0.990 65 V HN 0.503 nan 8.190 nan 0.000 0.444 66 L N 3.232 124.444 121.223 -0.018 0.000 2.354 66 L HA 0.641 4.989 4.340 0.013 0.000 0.269 66 L C -0.451 176.398 176.870 -0.035 0.000 1.005 66 L CA -0.742 54.071 54.840 -0.045 0.000 0.819 66 L CB 2.133 44.155 42.059 -0.061 0.000 1.311 66 L HN 0.452 nan 8.230 nan 0.000 0.423 67 D N 2.278 122.649 120.400 -0.049 0.000 2.411 67 D HA 0.375 5.023 4.640 0.013 0.000 0.225 67 D C 0.024 176.304 176.300 -0.034 0.000 1.156 67 D CA -0.171 53.813 54.000 -0.027 0.000 0.874 67 D CB 1.666 42.458 40.800 -0.014 0.000 1.034 67 D HN 0.632 nan 8.370 nan 0.000 0.502 68 A N 2.727 125.543 122.820 -0.007 0.000 2.793 68 A HA 0.631 4.958 4.320 0.013 0.000 0.301 68 A C 1.270 178.880 177.584 0.043 0.000 1.172 68 A CA 0.291 52.335 52.037 0.012 0.000 0.973 68 A CB -0.119 18.903 19.000 0.037 0.000 1.164 68 A HN 0.786 nan 8.150 nan 0.000 0.542 69 G N 0.884 109.708 108.800 0.040 0.000 4.024 69 G HA2 -0.243 3.725 3.960 0.013 0.000 0.206 69 G HA3 -0.243 3.725 3.960 0.013 0.000 0.206 69 G C 0.573 175.487 174.900 0.024 0.000 1.608 69 G CA 0.056 45.183 45.100 0.044 0.000 1.221 69 G HN 1.144 nan 8.290 nan 0.000 0.623 70 R N 0.518 121.026 120.500 0.014 0.000 2.719 70 R HA 0.770 5.117 4.340 0.013 0.000 0.233 70 R C -0.617 175.673 176.300 -0.017 0.000 1.257 70 R CA 0.016 56.110 56.100 -0.010 0.000 1.109 70 R CB 0.572 30.854 30.300 -0.030 0.000 1.447 70 R HN 0.189 nan 8.270 nan 0.000 0.537 71 T N 0.844 115.376 114.554 -0.037 0.000 2.875 71 T HA 0.481 4.839 4.350 0.013 0.000 0.284 71 T C -0.386 174.275 174.700 -0.065 0.000 0.995 71 T CA -0.491 61.587 62.100 -0.037 0.000 1.060 71 T CB 1.323 70.172 68.868 -0.031 0.000 0.967 71 T HN 0.508 nan 8.240 nan 0.000 0.476 72 V N 0.490 120.384 119.914 -0.033 0.000 3.206 72 V HA 0.778 4.906 4.120 0.013 0.000 0.305 72 V C -1.233 174.872 176.094 0.019 0.000 1.257 72 V CA -1.185 61.099 62.300 -0.028 0.000 1.057 72 V CB 2.267 34.142 31.823 0.085 0.000 1.075 72 V HN 0.832 nan 8.190 nan 0.000 0.443 73 E N 0.020 120.249 120.200 0.049 0.000 2.336 73 E HA 0.874 5.231 4.350 0.013 0.000 0.267 73 E C -1.686 174.962 176.600 0.080 0.000 0.906 73 E CA -0.891 55.539 56.400 0.051 0.000 0.781 73 E CB 2.740 32.462 29.700 0.036 0.000 1.261 73 E HN 0.642 nan 8.360 nan 0.000 0.436 74 V N 1.048 120.989 119.914 0.045 0.000 3.048 74 V HA 0.275 4.403 4.120 0.013 0.000 0.303 74 V C -0.868 175.232 176.094 0.009 0.000 1.214 74 V CA -0.934 61.383 62.300 0.029 0.000 0.984 74 V CB 2.203 34.029 31.823 0.005 0.000 1.054 74 V HN 0.439 nan 8.190 nan 0.000 0.430 75 V N 1.948 121.862 119.914 -0.000 0.000 2.472 75 V HA 0.830 4.957 4.120 0.013 0.000 0.290 75 V C 0.063 176.142 176.094 -0.024 0.000 1.037 75 V CA -0.225 62.071 62.300 -0.007 0.000 0.908 75 V CB 1.638 33.458 31.823 -0.005 0.000 0.985 75 V HN 0.911 nan 8.190 nan 0.000 0.454 76 S N 2.047 117.731 115.700 -0.027 0.000 2.566 76 S HA 0.600 5.078 4.470 0.013 0.000 0.273 76 S C 0.557 175.136 174.600 -0.035 0.000 1.157 76 S CA 0.133 58.309 58.200 -0.040 0.000 0.938 76 S CB 1.746 64.914 63.200 -0.053 0.000 1.087 76 S HN 1.045 nan 8.310 nan 0.000 0.474 77 G N 1.922 110.699 108.800 -0.039 0.000 3.088 77 G HA2 0.459 4.427 3.960 0.013 0.000 0.217 77 G HA3 0.459 4.427 3.960 0.013 0.000 0.217 77 G C 0.517 175.395 174.900 -0.037 0.000 1.159 77 G CA 0.293 45.373 45.100 -0.033 0.000 0.760 77 G HN 1.090 nan 8.290 nan 0.000 0.550 78 A N 0.792 123.584 122.820 -0.047 0.000 2.522 78 A HA 0.348 4.676 4.320 0.013 0.000 0.256 78 A C 1.451 179.017 177.584 -0.030 0.000 1.086 78 A CA -0.088 51.921 52.037 -0.047 0.000 0.763 78 A CB 0.451 19.414 19.000 -0.063 0.000 1.024 78 A HN 0.271 nan 8.150 nan 0.000 0.502 79 E N 2.671 122.862 120.200 -0.016 0.000 2.038 79 E HA -0.263 4.094 4.350 0.013 0.000 0.195 79 E C 1.556 178.153 176.600 -0.006 0.000 1.000 79 E CA 1.943 58.340 56.400 -0.005 0.000 0.803 79 E CB -0.342 29.363 29.700 0.009 0.000 0.750 79 E HN 1.049 nan 8.360 nan 0.000 0.448 80 N N 0.768 119.470 118.700 0.003 0.000 2.635 80 N HA -0.034 4.714 4.740 0.013 0.000 0.191 80 N C 0.248 175.744 175.510 -0.024 0.000 1.155 80 N CA 0.547 53.598 53.050 0.001 0.000 0.927 80 N CB 0.025 38.527 38.487 0.026 0.000 0.976 80 N HN -0.044 nan 8.380 nan 0.000 0.448 81 A N 1.286 124.085 122.820 -0.036 0.000 2.395 81 A HA 0.323 4.651 4.320 0.013 0.000 0.286 81 A C 0.319 177.872 177.584 -0.052 0.000 1.193 81 A CA -0.626 51.379 52.037 -0.054 0.000 0.852 81 A CB 0.029 18.995 19.000 -0.057 0.000 1.118 81 A HN 0.638 nan 8.150 nan 0.000 0.524 82 R N 1.848 122.314 120.500 -0.057 0.000 2.846 82 R HA 0.586 4.934 4.340 0.013 0.000 0.263 82 R C -0.623 175.636 176.300 -0.067 0.000 1.080 82 R CA -1.082 54.984 56.100 -0.057 0.000 0.961 82 R CB 0.937 31.212 30.300 -0.040 0.000 1.231 82 R HN 0.472 nan 8.270 nan 0.000 0.465 83 K N -0.246 120.113 120.400 -0.069 0.000 2.237 83 K HA 0.282 4.609 4.320 0.013 0.000 0.270 83 K C 0.411 176.984 176.600 -0.045 0.000 1.015 83 K CA 0.934 57.179 56.287 -0.070 0.000 0.949 83 K CB 0.634 33.087 32.500 -0.080 0.000 0.976 83 K HN 0.843 nan 8.250 nan 0.000 0.472 84 G N 2.936 111.714 108.800 -0.038 0.000 2.159 84 G HA2 -0.231 3.737 3.960 0.013 0.000 0.256 84 G HA3 -0.231 3.737 3.960 0.013 0.000 0.256 84 G C 0.062 174.964 174.900 0.003 0.000 0.977 84 G CA 0.560 45.653 45.100 -0.013 0.000 0.652 84 G HN 0.710 nan 8.290 nan 0.000 0.531 85 I N -1.990 118.570 120.570 -0.016 0.000 3.023 85 I HA 0.927 5.105 4.170 0.013 0.000 0.312 85 I C 0.728 176.834 176.117 -0.018 0.000 1.056 85 I CA -1.004 60.299 61.300 0.005 0.000 1.033 85 I CB 1.747 39.733 38.000 -0.022 0.000 1.233 85 I HN 0.154 nan 8.210 nan 0.000 0.462 86 G N 1.092 109.924 108.800 0.053 0.000 2.462 86 G HA2 0.666 4.634 3.960 0.013 0.000 0.319 86 G HA3 0.666 4.634 3.960 0.013 0.000 0.319 86 G C -0.610 174.144 174.900 -0.242 0.000 1.171 86 G CA -0.516 44.562 45.100 -0.036 0.000 0.920 86 G HN 1.041 nan 8.290 nan 0.000 0.499 87 V N -3.077 116.588 119.914 -0.415 0.000 3.216 87 V HA 0.848 4.976 4.120 0.013 0.000 0.302 87 V C -0.161 175.736 176.094 -0.328 0.000 1.286 87 V CA -1.073 60.918 62.300 -0.515 0.000 1.048 87 V CB 1.457 33.077 31.823 -0.339 0.000 1.081 87 V HN 1.495 nan 8.190 nan 0.000 0.442 88 A N 3.281 125.907 122.820 -0.324 0.000 2.506 88 A HA 0.639 4.967 4.320 0.013 0.000 0.320 88 A C -0.230 177.301 177.584 -0.088 0.000 1.424 88 A CA -0.348 51.675 52.037 -0.023 0.000 1.044 88 A CB -0.092 18.902 19.000 -0.010 0.000 1.140 88 A HN 1.157 nan 8.150 nan 0.000 0.538 89 L N 3.653 124.838 121.223 -0.062 0.000 2.283 89 L HA 0.534 4.882 4.340 0.013 0.000 0.287 89 L C 0.289 177.121 176.870 -0.063 0.000 1.073 89 L CA -0.019 54.777 54.840 -0.074 0.000 0.822 89 L CB 0.794 42.814 42.059 -0.065 0.000 1.186 89 L HN 0.651 nan 8.230 nan 0.000 0.436 90 A N 7.212 129.978 122.820 -0.090 0.000 2.343 90 A HA 0.438 4.766 4.320 0.013 0.000 0.305 90 A C -0.007 177.490 177.584 -0.146 0.000 1.308 90 A CA -0.540 51.436 52.037 -0.102 0.000 0.949 90 A CB 0.052 18.988 19.000 -0.107 0.000 1.148 90 A HN 0.829 nan 8.150 nan 0.000 0.545 91 L N 4.240 125.373 121.223 -0.149 0.000 2.452 91 L HA 0.276 4.623 4.340 0.013 0.000 0.267 91 L C -1.657 175.031 176.870 -0.304 0.000 1.188 91 L CA -1.740 52.945 54.840 -0.260 0.000 0.821 91 L CB 0.620 42.587 42.059 -0.153 0.000 1.102 91 L HN 0.492 nan 8.230 nan 0.000 0.470 92 P HA 0.020 nan 4.420 nan 0.000 0.267 92 P C 0.499 177.682 177.300 -0.197 0.000 1.209 92 P CA 0.531 63.418 63.100 -0.355 0.000 0.763 92 P CB 0.879 32.283 31.700 -0.493 0.000 0.816 93 G N 1.727 110.449 108.800 -0.129 0.000 2.138 93 G HA2 -0.140 3.828 3.960 0.013 0.000 0.193 93 G HA3 -0.140 3.828 3.960 0.013 0.000 0.193 93 G C -0.012 174.847 174.900 -0.067 0.000 0.998 93 G CA -0.356 44.696 45.100 -0.079 0.000 0.668 93 G HN 0.602 nan 8.290 nan 0.000 0.516 94 T N 0.460 114.965 114.554 -0.081 0.000 2.829 94 T HA 0.543 4.901 4.350 0.013 0.000 0.282 94 T C -0.233 174.433 174.700 -0.057 0.000 0.990 94 T CA -0.245 61.816 62.100 -0.066 0.000 1.028 94 T CB 2.102 70.923 68.868 -0.078 0.000 0.951 94 T HN 0.238 nan 8.240 nan 0.000 0.460 95 E N 3.035 123.209 120.200 -0.043 0.000 2.046 95 E HA 0.349 4.707 4.350 0.013 0.000 0.279 95 E C -0.884 175.692 176.600 -0.039 0.000 0.989 95 E CA -0.281 56.096 56.400 -0.037 0.000 0.798 95 E CB 0.079 29.763 29.700 -0.026 0.000 1.086 95 E HN 0.462 nan 8.360 nan 0.000 0.399 96 L N 6.662 127.858 121.223 -0.045 0.000 2.312 96 L HA 0.350 4.698 4.340 0.013 0.000 0.281 96 L C -1.571 175.277 176.870 -0.038 0.000 1.070 96 L CA -1.898 52.913 54.840 -0.049 0.000 0.805 96 L CB 1.228 43.249 42.059 -0.062 0.000 1.174 96 L HN 0.504 nan 8.230 nan 0.000 0.434 97 P HA -0.080 nan 4.420 nan 0.000 0.214 97 P C 1.454 178.740 177.300 -0.023 0.000 1.162 97 P CA 0.836 63.924 63.100 -0.020 0.000 0.874 97 P CB 0.214 31.908 31.700 -0.009 0.000 0.784 98 G N -0.383 108.398 108.800 -0.032 0.000 2.527 98 G HA2 -0.104 3.864 3.960 0.013 0.000 0.219 98 G HA3 -0.104 3.864 3.960 0.013 0.000 0.219 98 G C 0.823 175.701 174.900 -0.037 0.000 1.117 98 G CA 0.973 46.053 45.100 -0.034 0.000 0.759 98 G HN 0.391 nan 8.290 nan 0.000 0.556 99 L N -4.516 116.683 121.223 -0.040 0.000 3.573 99 L HA 0.594 4.942 4.340 0.013 0.000 0.335 99 L C 1.518 178.367 176.870 -0.035 0.000 1.321 99 L CA 0.270 55.086 54.840 -0.039 0.000 1.009 99 L CB -0.172 41.857 42.059 -0.049 0.000 1.417 99 L HN 0.045 nan 8.230 nan 0.000 0.619 100 G N -0.004 108.778 108.800 -0.030 0.000 3.105 100 G HA2 -0.422 3.546 3.960 0.013 0.000 0.242 100 G HA3 -0.422 3.546 3.960 0.013 0.000 0.242 100 G C 0.736 175.619 174.900 -0.028 0.000 1.280 100 G CA 1.660 46.744 45.100 -0.026 0.000 1.151 100 G HN 0.574 nan 8.290 nan 0.000 0.721 101 Q N 0.641 120.423 119.800 -0.031 0.000 2.259 101 Q HA 0.344 4.691 4.340 0.013 0.000 0.249 101 Q C 0.325 176.302 176.000 -0.038 0.000 0.914 101 Q CA -0.438 55.346 55.803 -0.031 0.000 0.904 101 Q CB 0.847 29.567 28.738 -0.029 0.000 1.213 101 Q HN 0.435 nan 8.270 nan 0.000 0.428 102 K N 2.459 122.836 120.400 -0.037 0.000 2.402 102 K HA 0.041 4.369 4.320 0.013 0.000 0.279 102 K C -0.544 176.022 176.600 -0.057 0.000 1.082 102 K CA -0.138 56.122 56.287 -0.045 0.000 1.080 102 K CB 0.196 32.672 32.500 -0.039 0.000 0.899 102 K HN 0.390 nan 8.250 nan 0.000 0.469 103 V N 3.566 123.437 119.914 -0.071 0.000 2.763 103 V HA 0.212 4.339 4.120 0.013 0.000 0.306 103 V C 1.061 177.090 176.094 -0.109 0.000 1.059 103 V CA 0.767 63.012 62.300 -0.091 0.000 1.138 103 V CB 1.024 32.782 31.823 -0.108 0.000 0.940 103 V HN 1.020 nan 8.190 nan 0.000 0.489 104 G N 3.141 111.872 108.800 -0.115 0.000 2.645 104 G HA2 0.463 4.430 3.960 0.013 0.000 0.292 104 G HA3 0.463 4.430 3.960 0.013 0.000 0.292 104 G C -1.149 173.676 174.900 -0.126 0.000 1.415 104 G CA -0.708 44.315 45.100 -0.127 0.000 0.785 104 G HN 0.559 nan 8.290 nan 0.000 0.483 105 E N 0.070 120.210 120.200 -0.099 0.000 2.366 105 E HA 0.310 4.668 4.350 0.013 0.000 0.266 105 E C 0.061 176.659 176.600 -0.004 0.000 1.015 105 E CA 0.294 56.681 56.400 -0.021 0.000 0.906 105 E CB 0.702 30.454 29.700 0.086 0.000 0.979 105 E HN 0.393 nan 8.360 nan 0.000 0.443 106 R N 2.930 123.432 120.500 0.002 0.000 2.651 106 R HA 0.316 4.664 4.340 0.013 0.000 0.278 106 R C -1.555 174.751 176.300 0.010 0.000 1.010 106 R CA -0.707 55.392 56.100 -0.001 0.000 0.896 106 R CB 1.508 31.796 30.300 -0.019 0.000 1.211 106 R HN 0.299 nan 8.270 nan 0.000 0.456 107 V N 5.734 125.653 119.914 0.008 0.000 2.498 107 V HA 0.432 4.559 4.120 0.013 0.000 0.279 107 V C 0.208 176.303 176.094 0.001 0.000 1.048 107 V CA -0.265 62.041 62.300 0.009 0.000 0.967 107 V CB 1.145 32.972 31.823 0.007 0.000 0.988 107 V HN 0.579 nan 8.190 nan 0.000 0.473 108 I N 4.047 124.618 120.570 0.002 0.000 2.534 108 I HA 0.345 4.523 4.170 0.013 0.000 0.288 108 I C -0.154 175.961 176.117 -0.002 0.000 1.077 108 I CA -0.750 60.548 61.300 -0.003 0.000 1.051 108 I CB 2.165 40.161 38.000 -0.007 0.000 1.234 108 I HN 0.503 nan 8.210 nan 0.000 0.425 109 Q N 4.345 124.142 119.800 -0.004 0.000 2.385 109 Q HA -0.256 4.092 4.340 0.013 0.000 0.311 109 Q C 1.050 177.048 176.000 -0.003 0.000 1.259 109 Q CA 1.282 57.083 55.803 -0.004 0.000 0.921 109 Q CB -1.520 27.216 28.738 -0.004 0.000 1.209 109 Q HN 1.277 nan 8.270 nan 0.000 0.473 110 G N -2.526 106.273 108.800 -0.003 0.000 2.175 110 G HA2 -0.276 3.692 3.960 0.013 0.000 0.244 110 G HA3 -0.276 3.692 3.960 0.013 0.000 0.244 110 G C 0.139 175.037 174.900 -0.002 0.000 0.982 110 G CA 0.297 45.395 45.100 -0.004 0.000 0.641 110 G HN 1.027 nan 8.290 nan 0.000 0.527 111 V N -2.732 117.183 119.914 0.002 0.000 2.588 111 V HA 0.733 4.860 4.120 0.013 0.000 0.304 111 V C 0.408 176.512 176.094 0.018 0.000 1.042 111 V CA -1.640 60.664 62.300 0.007 0.000 0.877 111 V CB 1.589 33.417 31.823 0.009 0.000 0.996 111 V HN 0.256 nan 8.190 nan 0.000 0.425 112 R N 2.459 122.973 120.500 0.024 0.000 2.605 112 R HA 0.221 4.568 4.340 0.013 0.000 0.271 112 R C 0.530 176.876 176.300 0.077 0.000 1.418 112 R CA 0.124 56.252 56.100 0.046 0.000 1.102 112 R CB 0.375 30.701 30.300 0.043 0.000 1.131 112 R HN 0.810 nan 8.270 nan 0.000 0.554 113 S N 3.177 118.915 115.700 0.064 0.000 2.481 113 S HA -0.011 4.467 4.470 0.013 0.000 0.282 113 S C -0.208 174.465 174.600 0.122 0.000 1.243 113 S CA -0.499 57.743 58.200 0.070 0.000 1.078 113 S CB 0.058 63.270 63.200 0.021 0.000 0.916 113 S HN 0.441 nan 8.310 nan 0.000 0.495 114 F N 6.930 126.865 119.950 -0.025 0.000 2.605 114 F HA 0.509 5.044 4.527 0.013 0.000 0.352 114 F C 1.018 176.800 175.800 -0.030 0.000 1.236 114 F CA 0.618 58.603 58.000 -0.025 0.000 1.267 114 F CB -0.722 38.265 39.000 -0.023 0.000 1.632 114 F HN 0.968 nan 8.300 nan 0.000 0.639 115 G N 4.606 113.229 108.800 -0.295 0.000 2.681 115 G HA2 -0.151 3.816 3.960 0.013 0.000 0.220 115 G HA3 -0.151 3.816 3.960 0.013 0.000 0.220 115 G C -0.783 174.035 174.900 -0.137 0.000 1.353 115 G CA -0.285 44.651 45.100 -0.274 0.000 0.872 115 G HN 0.944 nan 8.290 nan 0.000 0.557 116 M N -1.619 117.907 119.600 -0.124 0.000 2.575 116 M HA 0.833 5.321 4.480 0.013 0.000 0.284 116 M C -0.153 176.087 176.300 -0.100 0.000 1.253 116 M CA -0.597 54.646 55.300 -0.094 0.000 0.861 116 M CB 2.255 34.801 32.600 -0.089 0.000 1.733 116 M HN 2.209 nan 8.290 nan 0.000 0.462 117 A N 3.421 126.182 122.820 -0.099 0.000 2.302 117 A HA 0.642 4.970 4.320 0.013 0.000 0.295 117 A C -0.173 177.332 177.584 -0.132 0.000 1.235 117 A CA -0.685 51.279 52.037 -0.122 0.000 0.876 117 A CB -0.008 18.915 19.000 -0.129 0.000 1.133 117 A HN 0.863 nan 8.150 nan 0.000 0.533 118 L N 2.105 123.242 121.223 -0.143 0.000 2.476 118 L HA 0.420 4.768 4.340 0.013 0.000 0.255 118 L C 1.075 177.849 176.870 -0.160 0.000 1.218 118 L CA -0.208 54.545 54.840 -0.145 0.000 0.819 118 L CB 0.801 42.773 42.059 -0.145 0.000 1.119 118 L HN 0.873 nan 8.230 nan 0.000 0.485 119 S N -1.089 114.520 115.700 -0.152 0.000 2.671 119 S HA 0.488 4.966 4.470 0.013 0.000 0.299 119 S C -2.286 172.232 174.600 -0.137 0.000 1.116 119 S CA -1.396 56.717 58.200 -0.145 0.000 0.912 119 S CB 1.958 65.050 63.200 -0.180 0.000 1.130 119 S HN 0.279 nan 8.310 nan 0.000 0.501 120 P HA -0.116 nan 4.420 nan 0.000 0.216 120 P C 1.548 178.771 177.300 -0.127 0.000 1.154 120 P CA 1.383 64.422 63.100 -0.102 0.000 0.865 120 P CB 0.068 31.868 31.700 0.168 0.000 0.789 121 R N -0.362 120.084 120.500 -0.089 0.000 2.075 121 R HA -0.103 4.245 4.340 0.013 0.000 0.232 121 R C 2.177 178.425 176.300 -0.087 0.000 1.126 121 R CA 1.322 57.380 56.100 -0.071 0.000 0.963 121 R CB -0.459 29.801 30.300 -0.068 0.000 0.858 121 R HN 0.366 nan 8.270 nan 0.000 0.435 122 E N 0.348 120.483 120.200 -0.109 0.000 2.204 122 E HA -0.178 4.180 4.350 0.013 0.000 0.194 122 E C 1.686 178.216 176.600 -0.117 0.000 0.989 122 E CA 0.685 57.021 56.400 -0.106 0.000 0.824 122 E CB 0.024 29.657 29.700 -0.113 0.000 0.756 122 E HN 0.089 nan 8.360 nan 0.000 0.477 123 L N -0.382 120.747 121.223 -0.157 0.000 2.375 123 L HA 0.206 4.553 4.340 0.013 0.000 0.215 123 L C 1.178 177.954 176.870 -0.157 0.000 1.108 123 L CA 1.559 56.284 54.840 -0.191 0.000 0.830 123 L CB 0.203 42.081 42.059 -0.301 0.000 0.959 123 L HN 0.195 nan 8.230 nan 0.000 0.457 124 G N -0.789 107.936 108.800 -0.125 0.000 2.165 124 G HA2 -0.213 3.755 3.960 0.013 0.000 0.226 124 G HA3 -0.213 3.755 3.960 0.013 0.000 0.226 124 G C 0.643 175.548 174.900 0.008 0.000 1.035 124 G CA 0.575 45.652 45.100 -0.039 0.000 0.744 124 G HN 0.827 nan 8.290 nan 0.000 0.501 125 V N -3.259 116.547 119.914 -0.179 0.000 3.661 125 V HA 0.749 4.877 4.120 0.013 0.000 0.271 125 V C 1.057 176.989 176.094 -0.270 0.000 1.315 125 V CA 1.052 63.181 62.300 -0.285 0.000 1.072 125 V CB 0.622 31.887 31.823 -0.931 0.000 0.830 125 V HN 1.767 nan 8.190 nan 0.000 0.443 126 G N -0.769 107.928 108.800 -0.173 0.000 2.601 126 G HA2 0.426 4.394 3.960 0.013 0.000 0.291 126 G HA3 0.426 4.394 3.960 0.013 0.000 0.291 126 G C -0.452 174.513 174.900 0.108 0.000 1.456 126 G CA -0.101 45.040 45.100 0.069 0.000 0.804 126 G HN -0.048 nan 8.290 nan 0.000 0.499 127 E N -0.973 119.333 120.200 0.178 0.000 2.435 127 E HA 0.022 4.379 4.350 0.013 0.000 0.195 127 E C -0.090 176.615 176.600 0.174 0.000 1.029 127 E CA -0.103 56.381 56.400 0.140 0.000 0.865 127 E CB 0.096 29.875 29.700 0.132 0.000 0.833 127 E HN 0.416 nan 8.360 nan 0.000 0.510 128 Y N 0.038 120.391 120.300 0.089 0.000 2.411 128 Y HA 0.258 4.816 4.550 0.013 0.000 0.333 128 Y C 0.945 176.866 175.900 0.036 0.000 1.186 128 Y CA 0.427 58.573 58.100 0.076 0.000 1.381 128 Y CB 1.200 39.735 38.460 0.125 0.000 1.273 128 Y HN -0.102 nan 8.280 nan 0.000 0.546 129 G N 2.755 111.195 108.800 -0.600 0.000 4.530 129 G HA2 0.153 4.121 3.960 0.013 0.000 0.284 129 G HA3 0.153 4.121 3.960 0.013 0.000 0.284 129 G C 0.731 175.219 174.900 -0.688 0.000 1.008 129 G CA 0.141 44.920 45.100 -0.535 0.000 0.770 129 G HN 1.009 nan 8.290 nan 0.000 0.424 130 G N -0.061 107.935 108.800 -1.340 0.000 3.233 130 G HA2 0.521 4.488 3.960 0.013 0.000 0.227 130 G HA3 0.521 4.488 3.960 0.013 0.000 0.227 130 G C 0.535 175.227 174.900 -0.346 0.000 1.175 130 G CA 0.404 45.131 45.100 -0.622 0.000 0.781 130 G HN 0.853 nan 8.290 nan 0.000 0.542 131 G N -0.746 107.806 108.800 -0.414 0.000 2.466 131 G HA2 0.431 4.399 3.960 0.013 0.000 0.291 131 G HA3 0.431 4.399 3.960 0.013 0.000 0.291 131 G C -0.837 174.011 174.900 -0.087 0.000 1.460 131 G CA -1.053 43.995 45.100 -0.088 0.000 0.791 131 G HN 0.198 nan 8.290 nan 0.000 0.505 132 L N 0.307 121.492 121.223 -0.063 0.000 2.468 132 L HA 0.505 4.853 4.340 0.013 0.000 0.254 132 L C 0.427 177.249 176.870 -0.081 0.000 1.171 132 L CA -1.102 53.673 54.840 -0.110 0.000 0.809 132 L CB 0.289 42.255 42.059 -0.154 0.000 1.155 132 L HN 0.224 nan 8.230 nan 0.000 0.473 133 L N 0.857 121.972 121.223 -0.181 0.000 2.464 133 L HA 0.185 4.533 4.340 0.013 0.000 0.264 133 L C 0.199 176.863 176.870 -0.344 0.000 1.199 133 L CA 0.539 55.285 54.840 -0.157 0.000 0.818 133 L CB 0.111 42.020 42.059 -0.250 0.000 1.102 133 L HN 0.664 nan 8.230 nan 0.000 0.473 134 E N 2.354 122.477 120.200 -0.128 0.000 2.207 134 E HA 0.362 4.720 4.350 0.013 0.000 0.250 134 E C -1.028 175.680 176.600 0.180 0.000 0.890 134 E CA -0.129 56.225 56.400 -0.077 0.000 0.749 134 E CB 1.025 30.736 29.700 0.019 0.000 1.193 134 E HN 0.319 nan 8.360 nan 0.000 0.423 135 F N 2.159 122.197 119.950 0.147 0.000 2.411 135 F HA 0.418 4.952 4.527 0.013 0.000 0.324 135 F C -1.858 174.044 175.800 0.170 0.000 1.086 135 F CA -2.938 55.180 58.000 0.196 0.000 1.028 135 F CB 0.875 40.103 39.000 0.380 0.000 1.284 135 F HN 0.155 nan 8.300 nan 0.000 0.501 136 P HA 0.024 nan 4.420 nan 0.000 0.276 136 P C 0.300 177.773 177.300 0.290 0.000 1.243 136 P CA 0.189 63.399 63.100 0.184 0.000 0.768 136 P CB 0.785 32.524 31.700 0.065 0.000 0.856 137 E N 3.372 123.719 120.200 0.246 0.000 2.208 137 E HA -0.299 4.058 4.350 0.013 0.000 0.202 137 E C 0.566 177.389 176.600 0.371 0.000 1.014 137 E CA 1.866 58.439 56.400 0.288 0.000 0.819 137 E CB 0.005 29.789 29.700 0.140 0.000 0.735 137 E HN 0.482 nan 8.360 nan 0.000 0.469 138 D N -0.913 119.611 120.400 0.207 0.000 2.363 138 D HA 0.143 4.790 4.640 0.013 0.000 0.214 138 D C 1.429 177.711 176.300 -0.029 0.000 1.093 138 D CA 0.607 54.682 54.000 0.126 0.000 0.837 138 D CB 0.003 40.841 40.800 0.063 0.000 0.948 138 D HN 0.247 nan 8.370 nan 0.000 0.507 139 A N 0.677 123.410 122.820 -0.144 0.000 1.882 139 A HA -0.116 4.212 4.320 0.013 0.000 0.220 139 A C 1.006 178.262 177.584 -0.546 0.000 1.253 139 A CA 1.309 53.086 52.037 -0.433 0.000 0.664 139 A CB -0.504 18.108 19.000 -0.647 0.000 0.838 139 A HN 0.390 nan 8.150 nan 0.000 0.460 140 L N -3.441 117.234 121.223 -0.912 0.000 2.397 140 L HA 0.426 4.774 4.340 0.013 0.000 0.251 140 L C -2.826 173.998 176.870 -0.078 0.000 1.064 140 L CA -2.464 52.113 54.840 -0.438 0.000 0.859 140 L CB 1.868 43.678 42.059 -0.415 0.000 1.468 140 L HN -0.154 nan 8.230 nan 0.000 0.411 141 P HA 0.170 nan 4.420 nan 0.000 0.271 141 P C -2.512 174.940 177.300 0.253 0.000 1.226 141 P CA -1.038 62.142 63.100 0.133 0.000 0.765 141 P CB 0.118 31.863 31.700 0.074 0.000 0.835 142 P HA -0.032 nan 4.420 nan 0.000 0.256 142 P C 1.029 178.424 177.300 0.159 0.000 1.173 142 P CA 1.686 64.922 63.100 0.226 0.000 0.768 142 P CB -0.093 31.676 31.700 0.115 0.000 0.758 143 G N 1.902 110.802 108.800 0.167 0.000 2.259 143 G HA2 -0.212 3.756 3.960 0.013 0.000 0.217 143 G HA3 -0.212 3.756 3.960 0.013 0.000 0.217 143 G C 0.365 175.341 174.900 0.127 0.000 1.001 143 G CA 0.074 45.246 45.100 0.120 0.000 0.627 143 G HN 0.769 nan 8.290 nan 0.000 0.501 144 T N 0.983 115.629 114.554 0.154 0.000 2.940 144 T HA 0.514 4.872 4.350 0.013 0.000 0.309 144 T C -2.098 172.676 174.700 0.124 0.000 1.056 144 T CA -0.657 61.512 62.100 0.115 0.000 1.137 144 T CB 1.447 70.369 68.868 0.090 0.000 0.976 144 T HN 0.132 nan 8.240 nan 0.000 0.547 145 P HA 0.088 nan 4.420 nan 0.000 0.268 145 P C 0.761 178.116 177.300 0.093 0.000 1.205 145 P CA -0.547 62.601 63.100 0.081 0.000 0.771 145 P CB 0.433 32.168 31.700 0.058 0.000 0.858 146 L N 3.822 125.100 121.223 0.092 0.000 2.056 146 L HA -0.178 4.169 4.340 0.013 0.000 0.207 146 L C 2.184 179.117 176.870 0.105 0.000 1.078 146 L CA 2.236 57.133 54.840 0.094 0.000 0.749 146 L CB -1.521 40.566 42.059 0.047 0.000 0.901 146 L HN 0.407 nan 8.230 nan 0.000 0.433 147 S N -1.063 114.691 115.700 0.089 0.000 2.374 147 S HA -0.286 4.192 4.470 0.013 0.000 0.227 147 S C 1.718 176.397 174.600 0.131 0.000 1.037 147 S CA 1.437 59.717 58.200 0.134 0.000 1.024 147 S CB -0.967 62.292 63.200 0.099 0.000 0.861 147 S HN 0.601 nan 8.310 nan 0.000 0.456 148 E N 1.650 121.903 120.200 0.088 0.000 2.339 148 E HA -0.120 4.237 4.350 0.013 0.000 0.201 148 E C 1.324 177.959 176.600 0.058 0.000 1.015 148 E CA 1.082 57.520 56.400 0.064 0.000 0.841 148 E CB -0.289 29.440 29.700 0.048 0.000 0.754 148 E HN 0.790 nan 8.360 nan 0.000 0.508 149 A N -0.429 122.442 122.820 0.084 0.000 2.605 149 A HA 0.132 4.460 4.320 0.013 0.000 0.292 149 A C -0.509 177.158 177.584 0.139 0.000 1.055 149 A CA -0.479 51.590 52.037 0.054 0.000 0.969 149 A CB 0.381 19.372 19.000 -0.014 0.000 1.236 149 A HN 0.313 nan 8.150 nan 0.000 0.534 150 W N 2.062 123.342 121.300 -0.033 0.000 1.582 150 W HA 0.256 4.924 4.660 0.013 0.000 0.315 150 W C -3.425 173.134 176.519 0.066 0.000 0.995 150 W CA -1.828 55.508 57.345 -0.014 0.000 1.145 150 W CB 0.938 30.341 29.460 -0.095 0.000 1.208 150 W HN 0.147 nan 8.180 nan 0.000 0.346 151 P HA 0.094 nan 4.420 nan 0.000 0.274 151 P C 0.077 177.569 177.300 0.320 0.000 1.231 151 P CA 0.463 63.709 63.100 0.244 0.000 0.790 151 P CB 1.354 33.136 31.700 0.137 0.000 0.951 152 E N 0.780 121.125 120.200 0.241 0.000 2.502 152 E HA -0.039 4.318 4.350 0.013 0.000 0.261 152 E C 0.206 176.873 176.600 0.113 0.000 0.974 152 E CA 0.615 57.128 56.400 0.189 0.000 0.936 152 E CB 0.310 30.072 29.700 0.104 0.000 0.926 152 E HN 0.427 nan 8.360 nan 0.000 0.459 153 E N 1.917 122.114 120.200 -0.005 0.000 2.249 153 E HA 0.420 4.778 4.350 0.013 0.000 0.263 153 E C -1.657 174.891 176.600 -0.086 0.000 0.950 153 E CA -0.818 55.560 56.400 -0.037 0.000 0.827 153 E CB 1.502 31.145 29.700 -0.096 0.000 1.220 153 E HN 0.158 nan 8.360 nan 0.000 0.411 154 V N 2.858 122.769 119.914 -0.005 0.000 2.444 154 V HA 0.431 4.559 4.120 0.013 0.000 0.294 154 V C -0.885 175.227 176.094 0.030 0.000 1.022 154 V CA -0.844 61.435 62.300 -0.035 0.000 0.850 154 V CB 1.680 33.437 31.823 -0.110 0.000 0.992 154 V HN 0.576 nan 8.190 nan 0.000 0.426 155 V N 6.467 126.376 119.914 -0.008 0.000 2.417 155 V HA 0.491 4.619 4.120 0.013 0.000 0.291 155 V C -0.313 175.793 176.094 0.019 0.000 1.024 155 V CA -0.576 61.742 62.300 0.029 0.000 0.861 155 V CB 1.653 33.486 31.823 0.017 0.000 0.985 155 V HN 0.594 nan 8.190 nan 0.000 0.436 156 L N 3.653 124.898 121.223 0.036 0.000 2.343 156 L HA 0.502 4.850 4.340 0.013 0.000 0.275 156 L C 0.028 176.903 176.870 0.009 0.000 1.056 156 L CA 0.072 54.923 54.840 0.018 0.000 0.804 156 L CB 1.176 43.252 42.059 0.027 0.000 1.203 156 L HN 0.573 nan 8.230 nan 0.000 0.440 157 D N 2.319 122.723 120.400 0.007 0.000 2.485 157 D HA 0.336 4.984 4.640 0.013 0.000 0.229 157 D C -0.892 175.414 176.300 0.011 0.000 1.101 157 D CA -0.105 53.900 54.000 0.007 0.000 0.906 157 D CB 0.363 41.170 40.800 0.011 0.000 1.019 157 D HN 0.263 nan 8.370 nan 0.000 0.516 158 L N 2.554 123.777 121.223 0.000 0.000 2.292 158 L HA 0.308 4.655 4.340 0.013 0.000 0.284 158 L C 0.644 177.542 176.870 0.047 0.000 1.065 158 L CA -0.587 54.263 54.840 0.017 0.000 0.806 158 L CB 1.427 43.461 42.059 -0.042 0.000 1.175 158 L HN 0.363 nan 8.230 nan 0.000 0.431 159 E N 3.461 123.716 120.200 0.091 0.000 2.152 159 E HA 0.223 4.581 4.350 0.013 0.000 0.285 159 E C -1.331 175.379 176.600 0.182 0.000 1.043 159 E CA -0.539 55.922 56.400 0.102 0.000 0.839 159 E CB 1.168 30.916 29.700 0.078 0.000 1.069 159 E HN 0.305 nan 8.360 nan 0.000 0.399 160 V N 5.865 125.876 119.914 0.162 0.000 2.275 160 V HA 0.098 4.225 4.120 0.013 0.000 0.272 160 V C 0.388 176.576 176.094 0.156 0.000 1.028 160 V CA -0.685 61.750 62.300 0.224 0.000 0.810 160 V CB 0.612 32.523 31.823 0.146 0.000 1.043 160 V HN 0.848 nan 8.190 nan 0.000 0.453 161 T N 3.240 117.866 114.554 0.120 0.000 2.937 161 T HA 0.084 4.441 4.350 0.013 0.000 0.316 161 T C -1.447 173.288 174.700 0.057 0.000 1.079 161 T CA -0.836 61.298 62.100 0.056 0.000 1.131 161 T CB 0.587 69.451 68.868 -0.007 0.000 1.000 161 T HN 0.381 nan 8.240 nan 0.000 0.549 162 P HA -0.145 nan 4.420 nan 0.000 0.219 162 P C 1.295 178.608 177.300 0.022 0.000 1.144 162 P CA 0.953 64.072 63.100 0.032 0.000 0.806 162 P CB -0.101 31.618 31.700 0.032 0.000 0.771 163 N N -1.179 117.532 118.700 0.018 0.000 2.434 163 N HA -0.050 4.697 4.740 0.013 0.000 0.196 163 N C 0.285 175.809 175.510 0.024 0.000 1.183 163 N CA 0.444 53.501 53.050 0.012 0.000 0.849 163 N CB -0.091 38.395 38.487 -0.002 0.000 0.992 163 N HN -0.009 nan 8.380 nan 0.000 0.460 164 R N 0.761 121.291 120.500 0.049 0.000 2.718 164 R HA 0.266 4.614 4.340 0.013 0.000 0.307 164 R C -1.907 174.428 176.300 0.057 0.000 1.244 164 R CA -1.350 54.803 56.100 0.087 0.000 1.348 164 R CB 0.751 31.176 30.300 0.207 0.000 1.304 164 R HN 0.194 nan 8.270 nan 0.000 0.663 165 P HA -0.142 nan 4.420 nan 0.000 0.225 165 P C 0.574 177.853 177.300 -0.035 0.000 1.148 165 P CA 1.005 64.085 63.100 -0.033 0.000 0.779 165 P CB 0.301 31.976 31.700 -0.042 0.000 0.780 166 D N 0.547 120.954 120.400 0.012 0.000 2.264 166 D HA -0.093 4.555 4.640 0.013 0.000 0.208 166 D C 1.569 177.840 176.300 -0.048 0.000 0.966 166 D CA 0.801 54.812 54.000 0.019 0.000 0.864 166 D CB -0.541 40.361 40.800 0.169 0.000 0.933 166 D HN 0.134 nan 8.370 nan 0.000 0.499 167 A N 0.510 123.309 122.820 -0.036 0.000 2.208 167 A HA 0.180 4.508 4.320 0.013 0.000 0.209 167 A C 2.138 179.623 177.584 -0.164 0.000 1.161 167 A CA -0.194 51.775 52.037 -0.114 0.000 0.782 167 A CB -0.519 18.453 19.000 -0.047 0.000 0.816 167 A HN 0.236 nan 8.150 nan 0.000 0.477 168 L N 0.045 121.189 121.223 -0.131 0.000 2.660 168 L HA 0.177 4.525 4.340 0.013 0.000 0.238 168 L C 0.882 177.632 176.870 -0.200 0.000 1.161 168 L CA 0.126 54.882 54.840 -0.140 0.000 0.937 168 L CB -0.232 41.750 42.059 -0.127 0.000 1.122 168 L HN 0.403 nan 8.230 nan 0.000 0.435 169 G N -0.969 107.683 108.800 -0.246 0.000 2.723 169 G HA2 0.433 4.401 3.960 0.013 0.000 0.295 169 G HA3 0.433 4.401 3.960 0.013 0.000 0.295 169 G C 0.219 174.883 174.900 -0.393 0.000 1.464 169 G CA -0.574 44.337 45.100 -0.316 0.000 1.012 169 G HN -0.026 nan 8.290 nan 0.000 0.522 170 L N 2.582 123.500 121.223 -0.507 0.000 2.129 170 L HA -0.079 4.268 4.340 0.013 0.000 0.212 170 L C 2.615 179.133 176.870 -0.586 0.000 1.087 170 L CA 0.829 55.346 54.840 -0.537 0.000 0.757 170 L CB -0.409 41.257 42.059 -0.655 0.000 0.896 170 L HN 0.502 nan 8.230 nan 0.000 0.434 171 L N -0.216 120.570 121.223 -0.728 0.000 2.201 171 L HA -0.050 4.298 4.340 0.013 0.000 0.212 171 L C 2.186 178.789 176.870 -0.446 0.000 1.105 171 L CA 1.765 56.143 54.840 -0.771 0.000 0.775 171 L CB -1.134 40.487 42.059 -0.730 0.000 0.913 171 L HN 0.390 nan 8.230 nan 0.000 0.440 172 G N -0.089 108.488 108.800 -0.372 0.000 2.404 172 G HA2 -0.236 3.732 3.960 0.013 0.000 0.213 172 G HA3 -0.236 3.732 3.960 0.013 0.000 0.213 172 G C 1.526 176.305 174.900 -0.202 0.000 1.189 172 G CA 0.547 45.493 45.100 -0.257 0.000 0.796 172 G HN 0.314 nan 8.290 nan 0.000 0.532 173 L N 1.617 122.677 121.223 -0.270 0.000 1.997 173 L HA -0.106 4.241 4.340 0.013 0.000 0.216 173 L C 3.228 179.967 176.870 -0.219 0.000 1.074 173 L CA 2.361 57.020 54.840 -0.303 0.000 0.763 173 L CB -0.763 41.061 42.059 -0.391 0.000 0.890 173 L HN 0.279 nan 8.230 nan 0.000 0.434 174 A N -0.992 121.688 122.820 -0.233 0.000 1.927 174 A HA -0.328 4.000 4.320 0.013 0.000 0.220 174 A C 2.487 180.027 177.584 -0.072 0.000 1.185 174 A CA 2.210 54.148 52.037 -0.165 0.000 0.639 174 A CB -0.733 18.151 19.000 -0.193 0.000 0.820 174 A HN 0.494 nan 8.150 nan 0.000 0.451 175 R N -0.965 119.495 120.500 -0.066 0.000 2.159 175 R HA -0.161 4.187 4.340 0.013 0.000 0.237 175 R C 1.270 177.628 176.300 0.097 0.000 1.131 175 R CA 1.559 57.688 56.100 0.048 0.000 0.982 175 R CB -0.223 30.102 30.300 0.043 0.000 0.868 175 R HN 0.550 nan 8.270 nan 0.000 0.453 176 D N -0.047 120.382 120.400 0.048 0.000 2.120 176 D HA -0.065 4.583 4.640 0.013 0.000 0.202 176 D C 1.731 178.078 176.300 0.078 0.000 0.972 176 D CA 0.772 54.813 54.000 0.069 0.000 0.837 176 D CB 0.008 40.869 40.800 0.102 0.000 0.989 176 D HN 0.107 nan 8.370 nan 0.000 0.469 177 L N 0.115 121.361 121.223 0.038 0.000 2.187 177 L HA -0.177 4.171 4.340 0.013 0.000 0.213 177 L C 2.302 179.309 176.870 0.227 0.000 1.100 177 L CA 1.071 55.933 54.840 0.037 0.000 0.765 177 L CB -0.366 41.567 42.059 -0.210 0.000 0.904 177 L HN 0.292 nan 8.230 nan 0.000 0.437 178 H N -0.129 118.984 119.070 0.071 0.000 2.293 178 H HA -0.188 4.375 4.556 0.013 0.000 0.300 178 H C 2.206 177.591 175.328 0.095 0.000 1.082 178 H CA 1.119 57.229 56.048 0.102 0.000 1.308 178 H CB 0.292 30.080 29.762 0.043 0.000 1.375 178 H HN 0.355 nan 8.280 nan 0.000 0.495 179 A N 1.050 123.825 122.820 -0.075 0.000 2.032 179 A HA -0.156 4.172 4.320 0.013 0.000 0.221 179 A C 2.095 179.634 177.584 -0.075 0.000 1.165 179 A CA 1.204 53.142 52.037 -0.165 0.000 0.645 179 A CB -0.498 18.449 19.000 -0.089 0.000 0.807 179 A HN 0.372 nan 8.150 nan 0.000 0.453 180 L N -1.493 119.757 121.223 0.046 0.000 2.610 180 L HA 0.190 4.537 4.340 0.013 0.000 0.232 180 L C 1.771 178.637 176.870 -0.006 0.000 1.149 180 L CA 1.189 56.063 54.840 0.057 0.000 0.872 180 L CB -0.902 41.271 42.059 0.190 0.000 0.992 180 L HN 0.672 nan 8.230 nan 0.000 0.447 181 G N -2.776 106.025 108.800 0.002 0.000 2.168 181 G HA2 -0.277 3.691 3.960 0.013 0.000 0.197 181 G HA3 -0.277 3.691 3.960 0.013 0.000 0.197 181 G C 0.052 174.958 174.900 0.010 0.000 0.997 181 G CA -0.556 44.520 45.100 -0.040 0.000 0.658 181 G HN 0.237 nan 8.290 nan 0.000 0.513 182 Y N 1.476 121.839 120.300 0.105 0.000 2.319 182 Y HA 0.551 5.109 4.550 0.013 0.000 0.328 182 Y C 1.130 177.128 175.900 0.164 0.000 1.133 182 Y CA 0.183 58.348 58.100 0.108 0.000 1.265 182 Y CB 1.222 39.727 38.460 0.076 0.000 1.218 182 Y HN 0.440 nan 8.280 nan 0.000 0.508 183 A N 5.026 127.981 122.820 0.226 0.000 2.511 183 A HA 0.282 4.610 4.320 0.013 0.000 0.242 183 A C -0.607 176.966 177.584 -0.018 0.000 1.069 183 A CA -0.273 51.815 52.037 0.085 0.000 0.763 183 A CB -0.009 19.021 19.000 0.050 0.000 1.001 183 A HN 0.831 nan 8.150 nan 0.000 0.498 184 L N 3.427 124.513 121.223 -0.228 0.000 2.329 184 L HA 0.622 4.969 4.340 0.013 0.000 0.279 184 L C -1.181 175.605 176.870 -0.142 0.000 1.014 184 L CA -0.715 53.971 54.840 -0.257 0.000 0.814 184 L CB 1.836 43.545 42.059 -0.584 0.000 1.257 184 L HN 0.427 nan 8.230 nan 0.000 0.424 185 V N 4.665 124.553 119.914 -0.044 0.000 2.349 185 V HA 0.301 4.429 4.120 0.013 0.000 0.284 185 V C -0.395 175.740 176.094 0.069 0.000 1.014 185 V CA -0.682 61.614 62.300 -0.007 0.000 0.826 185 V CB 1.537 33.352 31.823 -0.014 0.000 1.009 185 V HN 0.737 nan 8.190 nan 0.000 0.431 186 E N 6.570 126.785 120.200 0.025 0.000 2.249 186 E HA 0.383 4.740 4.350 0.013 0.000 0.280 186 E C -2.318 174.323 176.600 0.068 0.000 1.016 186 E CA -1.688 54.743 56.400 0.051 0.000 0.830 186 E CB 1.137 30.829 29.700 -0.013 0.000 1.081 186 E HN 0.458 nan 8.360 nan 0.000 0.395 187 P HA 0.007 nan 4.420 nan 0.000 0.271 187 P C -1.076 176.248 177.300 0.040 0.000 1.218 187 P CA -0.207 62.943 63.100 0.084 0.000 0.780 187 P CB 0.553 32.345 31.700 0.154 0.000 0.901 188 E N 0.969 121.177 120.200 0.014 0.000 2.167 188 E HA 0.506 4.864 4.350 0.013 0.000 0.247 188 E C -0.129 176.474 176.600 0.005 0.000 0.961 188 E CA -0.933 55.470 56.400 0.004 0.000 0.797 188 E CB 0.411 30.105 29.700 -0.009 0.000 1.182 188 E HN 0.403 nan 8.360 nan 0.000 0.437 189 A N 3.109 125.939 122.820 0.016 0.000 2.524 189 A HA 0.277 4.605 4.320 0.013 0.000 0.271 189 A C 0.655 178.240 177.584 0.002 0.000 1.097 189 A CA 0.181 52.227 52.037 0.015 0.000 0.791 189 A CB -0.280 18.734 19.000 0.023 0.000 1.028 189 A HN 0.721 nan 8.150 nan 0.000 0.518 190 A N 4.515 127.331 122.820 -0.007 0.000 2.923 190 A HA 0.517 4.844 4.320 0.013 0.000 0.306 190 A C 0.177 177.751 177.584 -0.017 0.000 1.542 190 A CA -0.313 51.716 52.037 -0.014 0.000 1.225 190 A CB -0.291 18.696 19.000 -0.021 0.000 1.147 190 A HN 0.849 nan 8.150 nan 0.000 0.542 191 L N 1.590 122.806 121.223 -0.013 0.000 2.395 191 L HA 0.355 4.703 4.340 0.013 0.000 0.269 191 L C 0.820 177.679 176.870 -0.019 0.000 1.133 191 L CA -0.353 54.475 54.840 -0.019 0.000 0.812 191 L CB 1.155 43.207 42.059 -0.012 0.000 1.125 191 L HN 0.556 nan 8.230 nan 0.000 0.452 192 K N 4.250 124.633 120.400 -0.029 0.000 2.679 192 K HA 0.429 4.757 4.320 0.013 0.000 0.188 192 K C -0.830 175.755 176.600 -0.026 0.000 1.055 192 K CA -0.416 55.857 56.287 -0.023 0.000 1.006 192 K CB 1.049 33.532 32.500 -0.029 0.000 1.317 192 K HN 0.654 nan 8.250 nan 0.000 0.584 193 A N 2.398 125.212 122.820 -0.009 0.000 2.296 193 A HA 0.386 4.713 4.320 0.013 0.000 0.264 193 A C -0.633 176.969 177.584 0.030 0.000 1.097 193 A CA -0.246 51.793 52.037 0.004 0.000 0.811 193 A CB 0.394 19.406 19.000 0.020 0.000 1.072 193 A HN 0.695 nan 8.150 nan 0.000 0.495 194 E N 0.006 120.246 120.200 0.066 0.000 2.265 194 E HA 0.447 4.805 4.350 0.013 0.000 0.262 194 E C -0.886 175.782 176.600 0.113 0.000 0.889 194 E CA -0.704 55.755 56.400 0.098 0.000 0.789 194 E CB 1.847 31.640 29.700 0.154 0.000 1.221 194 E HN 0.747 nan 8.360 nan 0.000 0.414 195 A N 4.329 127.197 122.820 0.080 0.000 2.752 195 A HA 0.301 4.629 4.320 0.013 0.000 0.292 195 A C -0.239 177.391 177.584 0.076 0.000 1.597 195 A CA 0.194 52.274 52.037 0.071 0.000 1.241 195 A CB -1.144 17.884 19.000 0.047 0.000 1.061 195 A HN 0.446 nan 8.150 nan 0.000 0.576 196 L N 0.771 122.057 121.223 0.105 0.000 2.424 196 L HA 0.853 5.201 4.340 0.013 0.000 0.258 196 L C -2.667 174.249 176.870 0.076 0.000 0.995 196 L CA -2.170 52.722 54.840 0.088 0.000 0.821 196 L CB 1.154 43.280 42.059 0.112 0.000 1.383 196 L HN 0.220 nan 8.230 nan 0.000 0.410 197 P HA 0.224 nan 4.420 nan 0.000 0.269 197 P C -0.944 176.275 177.300 -0.135 0.000 1.209 197 P CA -0.120 62.947 63.100 -0.055 0.000 0.776 197 P CB 0.829 32.487 31.700 -0.069 0.000 0.876 198 L N 4.602 125.659 121.223 -0.277 0.000 2.290 198 L HA 0.180 4.528 4.340 0.013 0.000 0.284 198 L C -1.245 175.253 176.870 -0.619 0.000 1.078 198 L CA -1.802 52.667 54.840 -0.619 0.000 0.815 198 L CB 0.681 42.236 42.059 -0.841 0.000 1.162 198 L HN 0.223 nan 8.230 nan 0.000 0.435 199 P HA -0.091 nan 4.420 nan 0.000 0.234 199 P C -0.645 176.622 177.300 -0.055 0.000 1.162 199 P CA 0.998 63.967 63.100 -0.219 0.000 0.759 199 P CB -0.165 31.455 31.700 -0.134 0.000 0.813 200 F N -3.375 116.440 119.950 -0.225 0.000 2.643 200 F HA 0.828 5.363 4.527 0.013 0.000 0.314 200 F C -0.987 174.748 175.800 -0.108 0.000 1.096 200 F CA -2.068 55.823 58.000 -0.183 0.000 0.953 200 F CB 0.826 39.713 39.000 -0.188 0.000 1.345 200 F HN -0.322 nan 8.300 nan 0.000 0.468 201 A N 1.664 124.498 122.820 0.023 0.000 2.356 201 A HA 0.809 5.136 4.320 0.013 0.000 0.323 201 A C -1.888 175.860 177.584 0.273 0.000 1.119 201 A CA -0.831 51.266 52.037 0.100 0.000 0.790 201 A CB 1.660 20.799 19.000 0.233 0.000 1.273 201 A HN 0.931 nan 8.150 nan 0.000 0.452 202 L N 0.590 121.958 121.223 0.243 0.000 2.331 202 L HA 0.734 5.081 4.340 0.013 0.000 0.275 202 L C 0.055 177.058 176.870 0.222 0.000 1.022 202 L CA -0.106 54.895 54.840 0.267 0.000 0.812 202 L CB 1.414 43.613 42.059 0.233 0.000 1.257 202 L HN 0.703 nan 8.230 nan 0.000 0.435 203 K N 4.010 124.510 120.400 0.167 0.000 3.200 203 K HA 0.316 4.644 4.320 0.013 0.000 0.179 203 K C -1.625 174.939 176.600 -0.061 0.000 1.153 203 K CA -0.418 55.881 56.287 0.020 0.000 0.836 203 K CB 0.734 33.164 32.500 -0.117 0.000 1.051 203 K HN 0.462 nan 8.250 nan 0.000 0.594 204 V N 3.377 123.246 119.914 -0.075 0.000 2.434 204 V HA -0.039 4.088 4.120 0.013 0.000 0.281 204 V C 0.946 176.981 176.094 -0.098 0.000 1.005 204 V CA 0.882 63.101 62.300 -0.135 0.000 1.089 204 V CB 0.701 32.457 31.823 -0.111 0.000 0.978 204 V HN 0.652 nan 8.190 nan 0.000 0.474 205 E N 2.493 122.628 120.200 -0.108 0.000 2.472 205 E HA 0.052 4.410 4.350 0.013 0.000 0.196 205 E C 0.320 176.883 176.600 -0.062 0.000 1.033 205 E CA 0.065 56.413 56.400 -0.087 0.000 0.886 205 E CB 0.530 30.170 29.700 -0.100 0.000 0.944 205 E HN 0.668 nan 8.360 nan 0.000 0.492 206 D N 0.856 121.222 120.400 -0.057 0.000 2.552 206 D HA 0.073 4.721 4.640 0.013 0.000 0.285 206 D C -1.939 174.354 176.300 -0.011 0.000 1.206 206 D CA -1.945 52.038 54.000 -0.029 0.000 0.826 206 D CB 1.044 41.829 40.800 -0.025 0.000 1.179 206 D HN -0.110 nan 8.370 nan 0.000 0.508 207 P HA -0.116 nan 4.420 nan 0.000 0.228 207 P C 1.084 178.401 177.300 0.028 0.000 1.151 207 P CA 0.586 63.694 63.100 0.013 0.000 0.770 207 P CB 0.600 32.307 31.700 0.012 0.000 0.786 208 E N 0.276 120.489 120.200 0.022 0.000 2.158 208 E HA -0.050 4.307 4.350 0.013 0.000 0.191 208 E C 2.098 178.725 176.600 0.046 0.000 0.982 208 E CA 1.053 57.470 56.400 0.028 0.000 0.823 208 E CB -0.465 29.246 29.700 0.019 0.000 0.766 208 E HN 0.221 nan 8.360 nan 0.000 0.468 209 G N 0.061 108.894 108.800 0.055 0.000 2.595 209 G HA2 0.109 4.077 3.960 0.013 0.000 0.213 209 G HA3 0.109 4.077 3.960 0.013 0.000 0.213 209 G C 0.750 175.765 174.900 0.192 0.000 1.141 209 G CA 0.413 45.572 45.100 0.098 0.000 0.806 209 G HN 0.241 nan 8.290 nan 0.000 0.530 210 A N 0.693 123.593 122.820 0.133 0.000 3.219 210 A HA 0.661 4.989 4.320 0.013 0.000 0.314 210 A C -1.152 176.462 177.584 0.050 0.000 1.081 210 A CA -0.934 51.155 52.037 0.087 0.000 0.995 210 A CB 0.745 19.795 19.000 0.084 0.000 1.067 210 A HN 0.043 nan 8.150 nan 0.000 0.533 211 P HA -0.199 nan 4.420 nan 0.000 0.219 211 P C 0.243 177.627 177.300 0.140 0.000 1.153 211 P CA 1.819 64.962 63.100 0.073 0.000 0.865 211 P CB 0.018 31.753 31.700 0.060 0.000 0.788 212 H N -2.673 116.387 119.070 -0.018 0.000 3.018 212 H HA 0.516 5.080 4.556 0.013 0.000 0.334 212 H C -1.899 173.425 175.328 -0.006 0.000 0.983 212 H CA -1.121 54.926 56.048 -0.002 0.000 1.363 212 H CB 0.086 29.837 29.762 -0.019 0.000 1.668 212 H HN -0.218 nan 8.280 nan 0.000 0.513 213 F N 4.835 124.607 119.950 -0.296 0.000 2.539 213 F HA 0.445 4.980 4.527 0.013 0.000 0.328 213 F C -0.743 174.906 175.800 -0.251 0.000 1.148 213 F CA -0.312 57.516 58.000 -0.287 0.000 0.940 213 F CB 1.441 40.349 39.000 -0.153 0.000 1.194 213 F HN 0.550 nan 8.300 nan 0.000 0.438 214 T N 4.842 119.010 114.554 -0.643 0.000 2.885 214 T HA 0.786 5.143 4.350 0.013 0.000 0.285 214 T C -1.064 173.436 174.700 -0.333 0.000 1.019 214 T CA -0.742 61.142 62.100 -0.359 0.000 1.010 214 T CB 1.656 70.354 68.868 -0.282 0.000 1.022 214 T HN 0.546 nan 8.240 nan 0.000 0.466 215 L N 2.062 123.259 121.223 -0.044 0.000 2.365 215 L HA 0.771 5.118 4.340 0.013 0.000 0.273 215 L C 0.736 177.722 176.870 0.194 0.000 1.000 215 L CA -1.047 53.859 54.840 0.110 0.000 0.819 215 L CB 2.190 44.457 42.059 0.347 0.000 1.284 215 L HN 1.013 nan 8.230 nan 0.000 0.418 216 G N 0.376 109.304 108.800 0.214 0.000 2.509 216 G HA2 0.500 4.468 3.960 0.013 0.000 0.328 216 G HA3 0.500 4.468 3.960 0.013 0.000 0.328 216 G C -2.141 173.021 174.900 0.438 0.000 1.194 216 G CA -0.207 45.042 45.100 0.249 0.000 0.967 216 G HN 0.430 nan 8.290 nan 0.000 0.488 217 Y N 0.549 120.995 120.300 0.243 0.000 2.373 217 Y HA 0.637 5.195 4.550 0.013 0.000 0.327 217 Y C -0.372 175.645 175.900 0.194 0.000 1.036 217 Y CA -1.583 56.703 58.100 0.310 0.000 1.265 217 Y CB 0.972 39.680 38.460 0.413 0.000 1.108 217 Y HN 0.743 nan 8.280 nan 0.000 0.471 218 A N 6.886 129.602 122.820 -0.174 0.000 2.331 218 A HA 0.811 5.139 4.320 0.013 0.000 0.320 218 A C -1.393 175.958 177.584 -0.388 0.000 1.138 218 A CA -0.433 51.375 52.037 -0.381 0.000 0.790 218 A CB 0.374 19.256 19.000 -0.197 0.000 1.206 218 A HN 0.733 nan 8.150 nan 0.000 0.470 219 F N -0.325 119.376 119.950 -0.415 0.000 2.764 219 F HA 0.799 5.333 4.527 0.013 0.000 0.347 219 F C 0.900 176.630 175.800 -0.118 0.000 1.151 219 F CA -1.030 56.826 58.000 -0.240 0.000 1.021 219 F CB 0.517 39.361 39.000 -0.261 0.000 1.438 219 F HN 1.284 nan 8.300 nan 0.000 0.516 220 G N 1.300 110.295 108.800 0.326 0.000 2.356 220 G HA2 -0.261 3.707 3.960 0.013 0.000 0.296 220 G HA3 -0.261 3.707 3.960 0.013 0.000 0.296 220 G C -0.539 174.373 174.900 0.020 0.000 1.022 220 G CA 0.335 45.548 45.100 0.189 0.000 0.961 220 G HN 0.719 nan 8.290 nan 0.000 0.510 221 L N -0.869 120.360 121.223 0.010 0.000 2.371 221 L HA 0.550 4.898 4.340 0.013 0.000 0.272 221 L C 1.010 177.875 176.870 -0.009 0.000 1.124 221 L CA -0.870 53.954 54.840 -0.025 0.000 0.816 221 L CB 1.144 43.189 42.059 -0.022 0.000 1.129 221 L HN 0.248 nan 8.230 nan 0.000 0.448 222 R N 2.957 123.443 120.500 -0.022 0.000 2.477 222 R HA 0.321 4.668 4.340 0.013 0.000 0.285 222 R C -1.529 174.760 176.300 -0.019 0.000 1.415 222 R CA -0.478 55.614 56.100 -0.013 0.000 1.446 222 R CB 0.277 30.570 30.300 -0.013 0.000 1.110 222 R HN 0.314 nan 8.270 nan 0.000 0.590 223 V N 3.310 123.214 119.914 -0.015 0.000 2.529 223 V HA 0.562 4.690 4.120 0.013 0.000 0.292 223 V C 0.462 176.547 176.094 -0.016 0.000 1.028 223 V CA 0.955 63.243 62.300 -0.021 0.000 1.074 223 V CB 0.478 32.291 31.823 -0.016 0.000 0.958 223 V HN 0.903 nan 8.190 nan 0.000 0.481 224 A N 7.433 130.239 122.820 -0.023 0.000 2.564 224 A HA 0.871 5.199 4.320 0.013 0.000 0.291 224 A C -3.052 174.519 177.584 -0.022 0.000 1.102 224 A CA -1.273 50.756 52.037 -0.013 0.000 0.660 224 A CB 1.705 20.702 19.000 -0.006 0.000 1.283 224 A HN 0.546 nan 8.150 nan 0.000 0.430 225 P HA 0.268 nan 4.420 nan 0.000 0.274 225 P C 0.031 177.303 177.300 -0.046 0.000 1.237 225 P CA 0.194 63.292 63.100 -0.003 0.000 0.793 225 P CB 0.892 32.630 31.700 0.063 0.000 0.977 226 S N 2.268 117.905 115.700 -0.104 0.000 2.584 226 S HA 0.226 4.704 4.470 0.013 0.000 0.270 226 S C -1.749 172.701 174.600 -0.250 0.000 1.346 226 S CA -0.831 57.229 58.200 -0.234 0.000 1.018 226 S CB -0.433 62.558 63.200 -0.349 0.000 0.899 226 S HN 0.465 nan 8.310 nan 0.000 0.542 227 P HA 0.105 nan 4.420 nan 0.000 0.273 227 P C 0.698 177.710 177.300 -0.481 0.000 1.250 227 P CA -0.298 62.589 63.100 -0.355 0.000 0.793 227 P CB 0.486 31.987 31.700 -0.331 0.000 1.011 228 L N -0.305 120.705 121.223 -0.355 0.000 2.046 228 L HA -0.130 4.218 4.340 0.013 0.000 0.208 228 L C 2.793 179.322 176.870 -0.568 0.000 1.077 228 L CA 1.536 56.129 54.840 -0.412 0.000 0.747 228 L CB -1.078 40.795 42.059 -0.309 0.000 0.896 228 L HN 0.578 nan 8.230 nan 0.000 0.432 229 W N -0.574 120.485 121.300 -0.402 0.000 2.342 229 W HA -0.232 4.436 4.660 0.013 0.000 0.297 229 W C 2.066 178.300 176.519 -0.474 0.000 1.213 229 W CA 0.826 57.909 57.345 -0.437 0.000 1.251 229 W CB -0.969 28.277 29.460 -0.357 0.000 1.136 229 W HN 0.141 nan 8.180 nan 0.000 0.526 230 M N 1.301 119.997 119.600 -1.507 0.000 2.064 230 M HA -0.181 4.307 4.480 0.013 0.000 0.260 230 M C 2.482 178.345 176.300 -0.728 0.000 1.073 230 M CA 1.815 56.287 55.300 -1.379 0.000 1.124 230 M CB -1.005 30.671 32.600 -1.540 0.000 1.326 230 M HN 0.119 nan 8.290 nan 0.000 0.410 231 Q N -0.667 118.782 119.800 -0.586 0.000 2.112 231 Q HA -0.246 4.102 4.340 0.013 0.000 0.206 231 Q C 2.085 177.934 176.000 -0.252 0.000 0.987 231 Q CA 1.793 57.403 55.803 -0.321 0.000 0.858 231 Q CB -0.310 28.412 28.738 -0.025 0.000 0.905 231 Q HN 0.430 nan 8.270 nan 0.000 0.420 232 R N 0.242 120.350 120.500 -0.653 0.000 2.081 232 R HA -0.165 4.182 4.340 0.013 0.000 0.235 232 R C 2.139 178.352 176.300 -0.146 0.000 1.131 232 R CA 1.332 56.958 56.100 -0.790 0.000 0.960 232 R CB -0.253 29.268 30.300 -1.298 0.000 0.856 232 R HN 0.234 nan 8.270 nan 0.000 0.436 233 A N 1.206 123.879 122.820 -0.246 0.000 1.877 233 A HA -0.123 4.205 4.320 0.013 0.000 0.216 233 A C 2.239 179.835 177.584 0.019 0.000 1.186 233 A CA 1.280 53.201 52.037 -0.193 0.000 0.620 233 A CB -0.631 17.988 19.000 -0.636 0.000 0.822 233 A HN 0.351 nan 8.150 nan 0.000 0.443 234 L N -1.867 119.309 121.223 -0.077 0.000 1.989 234 L HA -0.222 4.125 4.340 0.013 0.000 0.211 234 L C 2.585 179.534 176.870 0.131 0.000 1.071 234 L CA 1.769 56.626 54.840 0.027 0.000 0.749 234 L CB -0.658 41.286 42.059 -0.191 0.000 0.890 234 L HN 0.451 nan 8.230 nan 0.000 0.431 235 F N -0.295 119.763 119.950 0.179 0.000 2.095 235 F HA -0.306 4.228 4.527 0.013 0.000 0.298 235 F C 2.641 178.689 175.800 0.413 0.000 1.104 235 F CA 1.022 59.192 58.000 0.283 0.000 1.232 235 F CB -0.465 38.708 39.000 0.287 0.000 0.987 235 F HN 0.065 nan 8.300 nan 0.000 0.475 236 A N -0.165 123.080 122.820 0.709 0.000 2.024 236 A HA -0.114 4.213 4.320 0.013 0.000 0.220 236 A C 2.071 179.861 177.584 0.344 0.000 1.164 236 A CA 1.604 53.942 52.037 0.501 0.000 0.643 236 A CB -1.064 18.173 19.000 0.395 0.000 0.806 236 A HN 0.324 nan 8.150 nan 0.000 0.451 237 A N -1.878 121.165 122.820 0.370 0.000 2.278 237 A HA 0.435 4.763 4.320 0.013 0.000 0.212 237 A C 1.668 179.371 177.584 0.199 0.000 1.213 237 A CA 1.056 53.254 52.037 0.269 0.000 0.840 237 A CB -0.971 18.236 19.000 0.344 0.000 0.866 237 A HN 1.865 nan 8.150 nan 0.000 0.489 238 G N -1.659 107.284 108.800 0.239 0.000 2.157 238 G HA2 -0.229 3.739 3.960 0.013 0.000 0.248 238 G HA3 -0.229 3.739 3.960 0.013 0.000 0.248 238 G C 0.085 175.089 174.900 0.174 0.000 0.979 238 G CA 0.503 45.722 45.100 0.198 0.000 0.650 238 G HN 0.401 nan 8.290 nan 0.000 0.529 239 M N -0.442 119.255 119.600 0.161 0.000 2.598 239 M HA 0.493 4.981 4.480 0.013 0.000 0.317 239 M C 0.368 176.613 176.300 -0.090 0.000 1.179 239 M CA -0.923 54.410 55.300 0.055 0.000 0.936 239 M CB 2.150 34.767 32.600 0.029 0.000 1.713 239 M HN 0.190 nan 8.290 nan 0.000 0.460 240 R N 2.658 123.061 120.500 -0.162 0.000 2.295 240 R HA 0.498 4.845 4.340 0.013 0.000 0.324 240 R C -2.738 173.316 176.300 -0.410 0.000 0.968 240 R CA -1.390 54.481 56.100 -0.383 0.000 0.837 240 R CB 1.089 31.346 30.300 -0.071 0.000 1.133 240 R HN 0.270 nan 8.270 nan 0.000 0.450 241 P HA 0.005 nan 4.420 nan 0.000 0.267 241 P C -0.067 177.116 177.300 -0.195 0.000 1.200 241 P CA 0.217 63.111 63.100 -0.344 0.000 0.772 241 P CB 0.622 32.115 31.700 -0.345 0.000 0.855 242 I N 0.461 120.942 120.570 -0.148 0.000 4.730 242 I HA 0.123 4.301 4.170 0.013 0.000 0.332 242 I C 0.089 176.158 176.117 -0.080 0.000 1.299 242 I CA 0.142 61.378 61.300 -0.108 0.000 1.294 242 I CB 0.344 38.277 38.000 -0.112 0.000 1.317 242 I HN 0.562 nan 8.210 nan 0.000 0.457 243 N N -2.094 116.551 118.700 -0.092 0.000 3.283 243 N HA -0.020 4.728 4.740 0.013 0.000 0.301 243 N C -0.231 175.215 175.510 -0.107 0.000 1.281 243 N CA -0.563 52.440 53.050 -0.079 0.000 0.779 243 N CB -0.257 38.192 38.487 -0.062 0.000 1.726 243 N HN -0.371 nan 8.380 nan 0.000 0.349 244 N N -0.204 118.441 118.700 -0.092 0.000 2.030 244 N HA -0.070 4.678 4.740 0.013 0.000 0.194 244 N C 1.508 176.958 175.510 -0.101 0.000 1.074 244 N CA 2.108 55.098 53.050 -0.100 0.000 0.860 244 N CB -0.666 37.777 38.487 -0.073 0.000 1.055 244 N HN 0.369 nan 8.380 nan 0.000 0.429 245 V N 1.435 121.300 119.914 -0.082 0.000 2.214 245 V HA -0.213 3.915 4.120 0.013 0.000 0.245 245 V C 2.595 178.639 176.094 -0.083 0.000 1.047 245 V CA 1.615 63.869 62.300 -0.078 0.000 0.998 245 V CB -0.893 30.884 31.823 -0.076 0.000 0.633 245 V HN 0.115 nan 8.190 nan 0.000 0.446 246 V N 0.380 120.237 119.914 -0.095 0.000 2.313 246 V HA -0.364 3.764 4.120 0.013 0.000 0.253 246 V C 2.251 178.303 176.094 -0.070 0.000 1.070 246 V CA 2.515 64.760 62.300 -0.092 0.000 1.057 246 V CB -0.889 30.878 31.823 -0.094 0.000 0.653 246 V HN 0.592 nan 8.190 nan 0.000 0.450 247 D N -0.518 119.827 120.400 -0.091 0.000 2.117 247 D HA -0.125 4.523 4.640 0.013 0.000 0.197 247 D C 2.100 178.376 176.300 -0.041 0.000 0.987 247 D CA 1.129 55.069 54.000 -0.099 0.000 0.829 247 D CB -0.333 40.358 40.800 -0.181 0.000 0.961 247 D HN 0.270 nan 8.370 nan 0.000 0.460 248 V N 0.837 120.722 119.914 -0.049 0.000 2.490 248 V HA -0.239 3.889 4.120 0.013 0.000 0.250 248 V C 2.655 178.807 176.094 0.095 0.000 1.061 248 V CA 2.141 64.456 62.300 0.024 0.000 1.064 248 V CB -0.765 31.055 31.823 -0.005 0.000 0.670 248 V HN 0.451 nan 8.190 nan 0.000 0.461 249 T N -1.600 112.980 114.554 0.044 0.000 2.737 249 T HA -0.205 4.152 4.350 0.013 0.000 0.265 249 T C 1.759 176.510 174.700 0.085 0.000 1.038 249 T CA 1.701 63.834 62.100 0.055 0.000 1.144 249 T CB -0.456 68.423 68.868 0.019 0.000 0.866 249 T HN 0.435 nan 8.240 nan 0.000 0.434 250 N N 0.287 119.035 118.700 0.081 0.000 2.188 250 N HA -0.036 4.711 4.740 0.013 0.000 0.184 250 N C 1.593 177.210 175.510 0.178 0.000 1.018 250 N CA 1.230 54.337 53.050 0.096 0.000 0.858 250 N CB -0.604 37.921 38.487 0.063 0.000 0.989 250 N HN 0.539 nan 8.380 nan 0.000 0.426 251 Y N 2.405 122.761 120.300 0.094 0.000 2.070 251 Y HA -0.231 4.327 4.550 0.013 0.000 0.280 251 Y C 2.366 178.425 175.900 0.266 0.000 1.148 251 Y CA 1.441 59.671 58.100 0.218 0.000 1.125 251 Y CB -0.571 37.944 38.460 0.091 0.000 0.975 251 Y HN -0.220 nan 8.280 nan 0.000 0.492 252 V N 1.238 121.315 119.914 0.271 0.000 2.252 252 V HA -0.454 3.674 4.120 0.013 0.000 0.249 252 V C 2.552 178.653 176.094 0.012 0.000 1.056 252 V CA 2.430 64.810 62.300 0.134 0.000 1.022 252 V CB -1.018 30.884 31.823 0.132 0.000 0.641 252 V HN 0.661 nan 8.190 nan 0.000 0.445 253 M N -0.255 119.357 119.600 0.020 0.000 2.151 253 M HA -0.267 4.221 4.480 0.013 0.000 0.256 253 M C 2.146 178.384 176.300 -0.104 0.000 1.072 253 M CA 2.296 57.571 55.300 -0.042 0.000 1.090 253 M CB -0.327 32.262 32.600 -0.018 0.000 1.294 253 M HN 0.273 nan 8.290 nan 0.000 0.415 254 L N -0.331 120.835 121.223 -0.095 0.000 2.083 254 L HA -0.216 4.132 4.340 0.013 0.000 0.209 254 L C 2.566 179.211 176.870 -0.375 0.000 1.083 254 L CA 1.997 56.699 54.840 -0.229 0.000 0.752 254 L CB -1.177 40.737 42.059 -0.241 0.000 0.899 254 L HN 0.560 nan 8.230 nan 0.000 0.433 255 E N 1.790 121.801 120.200 -0.314 0.000 2.017 255 E HA -0.233 4.125 4.350 0.013 0.000 0.193 255 E C 1.689 178.072 176.600 -0.361 0.000 0.997 255 E CA 1.483 57.669 56.400 -0.357 0.000 0.804 255 E CB 0.093 29.701 29.700 -0.153 0.000 0.757 255 E HN 0.523 nan 8.360 nan 0.000 0.448 256 R N -0.682 119.672 120.500 -0.243 0.000 2.652 256 R HA 0.528 4.876 4.340 0.013 0.000 0.372 256 R C 0.302 176.483 176.300 -0.198 0.000 1.104 256 R CA 0.319 56.279 56.100 -0.234 0.000 1.072 256 R CB 0.536 30.728 30.300 -0.180 0.000 1.367 256 R HN 0.162 nan 8.270 nan 0.000 0.577 257 A N 1.296 123.993 122.820 -0.205 0.000 2.704 257 A HA -0.259 4.069 4.320 0.013 0.000 0.299 257 A C 0.133 177.602 177.584 -0.193 0.000 1.507 257 A CA 1.626 53.547 52.037 -0.193 0.000 0.776 257 A CB -1.421 17.470 19.000 -0.182 0.000 1.027 257 A HN 0.657 nan 8.150 nan 0.000 0.475 258 Q N -0.744 118.957 119.800 -0.166 0.000 2.558 258 Q HA 0.559 4.907 4.340 0.013 0.000 0.252 258 Q C -2.940 172.982 176.000 -0.130 0.000 1.015 258 Q CA -2.093 53.618 55.803 -0.154 0.000 0.720 258 Q CB 1.254 29.946 28.738 -0.077 0.000 1.215 258 Q HN 0.341 nan 8.270 nan 0.000 0.500 259 P HA 0.159 nan 4.420 nan 0.000 0.266 259 P C -0.819 176.550 177.300 0.115 0.000 1.195 259 P CA 0.335 63.382 63.100 -0.087 0.000 0.768 259 P CB 0.518 32.084 31.700 -0.222 0.000 0.838 260 M N 0.540 120.229 119.600 0.148 0.000 2.683 260 M HA 0.610 5.097 4.480 0.013 0.000 0.274 260 M C -1.415 175.024 176.300 0.232 0.000 1.272 260 M CA -0.733 54.681 55.300 0.189 0.000 0.833 260 M CB 3.143 35.808 32.600 0.108 0.000 1.708 260 M HN 0.278 nan 8.290 nan 0.000 0.463 261 H N 0.276 119.405 119.070 0.098 0.000 3.099 261 H HA 0.607 5.171 4.556 0.013 0.000 0.342 261 H C -2.134 173.178 175.328 -0.028 0.000 1.054 261 H CA -0.328 55.707 56.048 -0.022 0.000 1.328 261 H CB 2.132 31.829 29.762 -0.108 0.000 1.876 261 H HN 1.061 nan 8.280 nan 0.000 0.495 262 A N 5.630 128.132 122.820 -0.531 0.000 2.310 262 A HA 0.427 4.755 4.320 0.013 0.000 0.300 262 A C -0.979 176.302 177.584 -0.505 0.000 1.269 262 A CA -0.312 51.527 52.037 -0.329 0.000 0.909 262 A CB -0.588 18.281 19.000 -0.218 0.000 1.144 262 A HN 0.386 nan 8.150 nan 0.000 0.540 263 F N 1.637 121.500 119.950 -0.145 0.000 2.394 263 F HA 0.220 4.755 4.527 0.013 0.000 0.340 263 F C 0.896 176.691 175.800 -0.009 0.000 1.105 263 F CA -0.354 57.623 58.000 -0.037 0.000 1.124 263 F CB 1.132 40.167 39.000 0.058 0.000 1.145 263 F HN 0.593 nan 8.300 nan 0.000 0.505 264 D N 3.857 124.391 120.400 0.223 0.000 2.348 264 D HA 0.067 4.715 4.640 0.013 0.000 0.253 264 D C 1.120 177.574 176.300 0.256 0.000 1.161 264 D CA 0.034 54.174 54.000 0.233 0.000 0.876 264 D CB 1.012 42.011 40.800 0.332 0.000 1.160 264 D HN 0.576 nan 8.370 nan 0.000 0.459 265 L N 4.008 125.309 121.223 0.130 0.000 2.191 265 L HA -0.174 4.174 4.340 0.013 0.000 0.212 265 L C 2.468 179.351 176.870 0.022 0.000 1.103 265 L CA 0.831 55.702 54.840 0.051 0.000 0.769 265 L CB -0.179 41.906 42.059 0.043 0.000 0.908 265 L HN 0.405 nan 8.230 nan 0.000 0.438 266 R N -0.442 120.038 120.500 -0.033 0.000 2.139 266 R HA -0.196 4.152 4.340 0.013 0.000 0.243 266 R C 1.846 177.923 176.300 -0.371 0.000 1.145 266 R CA 1.609 57.548 56.100 -0.269 0.000 0.976 266 R CB -0.338 29.663 30.300 -0.498 0.000 0.866 266 R HN 0.283 nan 8.270 nan 0.000 0.449 267 F N -1.364 118.618 119.950 0.054 0.000 2.714 267 F HA 0.080 4.615 4.527 0.013 0.000 0.294 267 F C 1.946 177.850 175.800 0.174 0.000 1.120 267 F CA -0.042 58.014 58.000 0.094 0.000 1.398 267 F CB 0.142 39.217 39.000 0.125 0.000 1.120 267 F HN -0.252 nan 8.300 nan 0.000 0.589 268 V N 0.103 120.153 119.914 0.227 0.000 2.759 268 V HA -0.016 4.111 4.120 0.013 0.000 0.256 268 V C 1.824 177.921 176.094 0.005 0.000 1.080 268 V CA 1.242 63.584 62.300 0.070 0.000 1.101 268 V CB -1.246 30.510 31.823 -0.110 0.000 0.698 268 V HN 0.589 nan 8.190 nan 0.000 0.477 269 G N 0.121 108.947 108.800 0.044 0.000 2.527 269 G HA2 -0.340 3.628 3.960 0.013 0.000 0.268 269 G HA3 -0.340 3.628 3.960 0.013 0.000 0.268 269 G C 0.650 175.438 174.900 -0.186 0.000 1.175 269 G CA 0.503 45.597 45.100 -0.010 0.000 0.962 269 G HN 0.339 nan 8.290 nan 0.000 0.560 270 E N 0.523 120.485 120.200 -0.396 0.000 2.046 270 E HA 0.299 4.656 4.350 0.013 0.000 0.190 270 E C 1.339 177.584 176.600 -0.591 0.000 0.982 270 E CA 0.999 57.122 56.400 -0.462 0.000 0.800 270 E CB -0.060 29.330 29.700 -0.516 0.000 0.756 270 E HN 0.999 nan 8.360 nan 0.000 0.449 271 G N -0.226 107.846 108.800 -1.213 0.000 2.608 271 G HA2 0.490 4.458 3.960 0.013 0.000 0.291 271 G HA3 0.490 4.458 3.960 0.013 0.000 0.291 271 G C -1.440 173.003 174.900 -0.763 0.000 1.425 271 G CA -0.896 43.679 45.100 -0.875 0.000 0.787 271 G HN -0.029 nan 8.290 nan 0.000 0.484 272 I N 1.032 121.504 120.570 -0.163 0.000 2.365 272 I HA 0.528 4.705 4.170 0.013 0.000 0.291 272 I C 0.473 176.711 176.117 0.202 0.000 1.004 272 I CA -0.478 60.794 61.300 -0.046 0.000 1.311 272 I CB 1.695 39.672 38.000 -0.038 0.000 1.401 272 I HN 0.579 nan 8.210 nan 0.000 0.491 273 A N 6.746 129.649 122.820 0.138 0.000 2.311 273 A HA 0.608 4.935 4.320 0.013 0.000 0.306 273 A C -0.759 176.764 177.584 -0.101 0.000 1.189 273 A CA -0.457 51.641 52.037 0.101 0.000 0.791 273 A CB 1.133 20.236 19.000 0.171 0.000 1.172 273 A HN 0.427 nan 8.150 nan 0.000 0.481 274 V N 5.058 124.844 119.914 -0.213 0.000 2.320 274 V HA 0.454 4.581 4.120 0.013 0.000 0.265 274 V C 0.538 176.532 176.094 -0.166 0.000 1.048 274 V CA -0.071 62.065 62.300 -0.274 0.000 0.865 274 V CB -0.325 31.178 31.823 -0.534 0.000 1.043 274 V HN 1.052 nan 8.190 nan 0.000 0.474 275 R N 3.560 123.988 120.500 -0.120 0.000 2.947 275 R HA 0.826 5.173 4.340 0.013 0.000 0.253 275 R C -0.785 175.474 176.300 -0.068 0.000 1.208 275 R CA -1.317 54.732 56.100 -0.086 0.000 1.012 275 R CB 1.543 31.796 30.300 -0.079 0.000 1.267 275 R HN 0.312 nan 8.270 nan 0.000 0.473 276 R N 0.154 120.627 120.500 -0.045 0.000 2.457 276 R HA 0.459 4.807 4.340 0.013 0.000 0.284 276 R C -0.614 175.679 176.300 -0.010 0.000 1.024 276 R CA 0.118 56.204 56.100 -0.024 0.000 1.025 276 R CB 1.602 31.900 30.300 -0.004 0.000 1.063 276 R HN 0.765 nan 8.270 nan 0.000 0.493 277 A N 3.564 126.388 122.820 0.008 0.000 2.520 277 A HA 0.122 4.449 4.320 0.013 0.000 0.245 277 A C -0.250 177.353 177.584 0.031 0.000 1.072 277 A CA 0.013 52.064 52.037 0.023 0.000 0.761 277 A CB 0.121 19.149 19.000 0.047 0.000 1.004 277 A HN 0.668 nan 8.150 nan 0.000 0.499 278 R N 2.311 122.824 120.500 0.022 0.000 2.343 278 R HA 0.037 4.384 4.340 0.013 0.000 0.326 278 R C -0.024 176.286 176.300 0.017 0.000 1.055 278 R CA -0.094 56.015 56.100 0.016 0.000 0.961 278 R CB 0.263 30.572 30.300 0.015 0.000 0.978 278 R HN 0.878 nan 8.270 nan 0.000 0.443 279 E N 1.853 122.056 120.200 0.005 0.000 3.111 279 E HA -0.193 4.165 4.350 0.013 0.000 0.230 279 E C 0.834 177.428 176.600 -0.011 0.000 1.035 279 E CA 1.201 57.589 56.400 -0.020 0.000 0.944 279 E CB -0.238 29.428 29.700 -0.056 0.000 0.919 279 E HN 0.846 nan 8.360 nan 0.000 0.554 280 G N 3.910 112.712 108.800 0.003 0.000 3.736 280 G HA2 -0.215 3.753 3.960 0.013 0.000 0.196 280 G HA3 -0.215 3.753 3.960 0.013 0.000 0.196 280 G C -0.375 174.543 174.900 0.029 0.000 1.811 280 G CA -0.272 44.834 45.100 0.010 0.000 1.175 280 G HN 0.537 nan 8.290 nan 0.000 0.429 281 E N 1.695 121.917 120.200 0.037 0.000 3.142 281 E HA 0.048 4.406 4.350 0.013 0.000 0.276 281 E C 0.377 177.011 176.600 0.057 0.000 0.887 281 E CA 0.807 57.236 56.400 0.050 0.000 0.975 281 E CB 0.367 30.099 29.700 0.052 0.000 0.937 281 E HN 0.349 nan 8.360 nan 0.000 0.516 282 R N 1.976 122.511 120.500 0.058 0.000 2.598 282 R HA 0.544 4.891 4.340 0.013 0.000 0.279 282 R C -0.668 175.668 176.300 0.059 0.000 0.984 282 R CA -0.814 55.320 56.100 0.057 0.000 0.999 282 R CB 1.056 31.385 30.300 0.048 0.000 1.114 282 R HN 0.283 nan 8.270 nan 0.000 0.493 283 L N 2.304 123.558 121.223 0.051 0.000 2.526 283 L HA 0.347 4.695 4.340 0.013 0.000 0.263 283 L C -1.504 175.382 176.870 0.026 0.000 0.943 283 L CA -0.438 54.426 54.840 0.040 0.000 0.859 283 L CB 2.013 44.089 42.059 0.028 0.000 1.313 283 L HN 0.638 nan 8.230 nan 0.000 0.406 284 K N 3.607 124.016 120.400 0.016 0.000 2.347 284 K HA 0.397 4.724 4.320 0.013 0.000 0.262 284 K C -0.007 176.585 176.600 -0.014 0.000 1.052 284 K CA -0.302 55.987 56.287 0.004 0.000 0.946 284 K CB 0.729 33.229 32.500 0.001 0.000 1.220 284 K HN 0.812 nan 8.250 nan 0.000 0.450 285 T N 0.443 114.985 114.554 -0.019 0.000 2.726 285 T HA 0.103 4.461 4.350 0.013 0.000 0.294 285 T C 1.772 176.449 174.700 -0.039 0.000 1.013 285 T CA -0.645 61.432 62.100 -0.039 0.000 0.996 285 T CB 0.526 69.364 68.868 -0.049 0.000 1.016 285 T HN 0.532 nan 8.240 nan 0.000 0.529 286 L N 0.794 121.986 121.223 -0.051 0.000 2.089 286 L HA -0.152 4.195 4.340 0.013 0.000 0.213 286 L C 2.357 179.208 176.870 -0.031 0.000 1.079 286 L CA 1.922 56.736 54.840 -0.043 0.000 0.758 286 L CB -0.954 41.078 42.059 -0.045 0.000 0.891 286 L HN 0.813 nan 8.230 nan 0.000 0.433 287 D N -0.466 119.920 120.400 -0.024 0.000 2.392 287 D HA -0.045 4.602 4.640 0.013 0.000 0.228 287 D C 1.560 177.858 176.300 -0.004 0.000 1.003 287 D CA 0.891 54.884 54.000 -0.011 0.000 0.917 287 D CB -0.294 40.504 40.800 -0.004 0.000 0.890 287 D HN 0.371 nan 8.370 nan 0.000 0.532 288 G N -0.882 107.913 108.800 -0.008 0.000 2.199 288 G HA2 -0.286 3.681 3.960 0.013 0.000 0.254 288 G HA3 -0.286 3.681 3.960 0.013 0.000 0.254 288 G C 0.251 175.154 174.900 0.004 0.000 0.982 288 G CA 0.162 45.260 45.100 -0.002 0.000 0.632 288 G HN 0.424 nan 8.290 nan 0.000 0.529 289 V N 1.464 121.382 119.914 0.007 0.000 2.479 289 V HA 0.449 4.577 4.120 0.013 0.000 0.281 289 V C 0.631 176.736 176.094 0.019 0.000 1.031 289 V CA 0.231 62.541 62.300 0.017 0.000 1.038 289 V CB 1.491 33.328 31.823 0.024 0.000 0.981 289 V HN 0.455 nan 8.190 nan 0.000 0.478 290 E N 6.292 126.506 120.200 0.024 0.000 2.130 290 E HA 0.406 4.763 4.350 0.013 0.000 0.284 290 E C -0.232 176.394 176.600 0.043 0.000 1.018 290 E CA -0.200 56.217 56.400 0.028 0.000 0.817 290 E CB 0.494 30.208 29.700 0.023 0.000 1.078 290 E HN 0.628 nan 8.360 nan 0.000 0.396 291 R N 2.412 122.946 120.500 0.056 0.000 2.892 291 R HA 0.631 4.979 4.340 0.013 0.000 0.265 291 R C -0.418 175.937 176.300 0.092 0.000 1.025 291 R CA -0.941 55.214 56.100 0.091 0.000 0.982 291 R CB 1.811 32.206 30.300 0.157 0.000 1.185 291 R HN 0.416 nan 8.270 nan 0.000 0.484 292 T N 1.282 115.898 114.554 0.104 0.000 2.943 292 T HA 0.510 4.868 4.350 0.013 0.000 0.284 292 T C -0.356 174.439 174.700 0.158 0.000 1.015 292 T CA -0.702 61.451 62.100 0.089 0.000 1.042 292 T CB 0.817 69.712 68.868 0.046 0.000 1.055 292 T HN 0.169 nan 8.240 nan 0.000 0.500 293 L N 2.186 123.490 121.223 0.134 0.000 2.341 293 L HA 0.377 4.725 4.340 0.013 0.000 0.278 293 L C -0.083 176.889 176.870 0.170 0.000 1.005 293 L CA -1.127 53.828 54.840 0.192 0.000 0.818 293 L CB 1.345 43.479 42.059 0.125 0.000 1.259 293 L HN 0.648 nan 8.230 nan 0.000 0.418 294 H N 6.363 125.495 119.070 0.104 0.000 2.767 294 H HA 0.144 4.707 4.556 0.013 0.000 0.316 294 H C -1.850 173.504 175.328 0.044 0.000 1.059 294 H CA -1.995 54.082 56.048 0.049 0.000 1.461 294 H CB 1.646 31.430 29.762 0.037 0.000 1.475 294 H HN 0.357 nan 8.280 nan 0.000 0.531 295 P HA -0.183 nan 4.420 nan 0.000 0.229 295 P C 0.650 178.109 177.300 0.265 0.000 1.147 295 P CA 1.170 64.376 63.100 0.176 0.000 0.766 295 P CB 0.271 31.985 31.700 0.023 0.000 0.775 296 E N -0.728 119.752 120.200 0.467 0.000 2.476 296 E HA 0.016 4.374 4.350 0.013 0.000 0.199 296 E C -0.025 176.569 176.600 -0.010 0.000 1.021 296 E CA -0.268 56.184 56.400 0.086 0.000 0.907 296 E CB 0.182 29.748 29.700 -0.224 0.000 0.974 296 E HN 0.206 nan 8.360 nan 0.000 0.489 297 D N 1.466 121.890 120.400 0.039 0.000 2.383 297 D HA 0.009 4.656 4.640 0.013 0.000 0.252 297 D C -0.240 176.030 176.300 -0.051 0.000 1.166 297 D CA 0.095 54.085 54.000 -0.016 0.000 0.879 297 D CB 1.064 41.876 40.800 0.020 0.000 1.164 297 D HN 0.114 nan 8.370 nan 0.000 0.462 298 L N 3.964 125.123 121.223 -0.107 0.000 2.315 298 L HA 0.195 4.543 4.340 0.013 0.000 0.283 298 L C -0.615 176.150 176.870 -0.176 0.000 1.089 298 L CA -0.143 54.616 54.840 -0.134 0.000 0.833 298 L CB 0.842 42.801 42.059 -0.167 0.000 1.170 298 L HN 0.045 nan 8.230 nan 0.000 0.442 299 V N 6.132 125.970 119.914 -0.126 0.000 2.713 299 V HA 0.425 4.553 4.120 0.013 0.000 0.307 299 V C 0.274 176.299 176.094 -0.115 0.000 1.052 299 V CA -0.829 61.405 62.300 -0.110 0.000 0.967 299 V CB 2.497 34.282 31.823 -0.064 0.000 1.019 299 V HN 0.470 nan 8.190 nan 0.000 0.459 300 I N 3.428 123.949 120.570 -0.081 0.000 2.371 300 I HA 0.579 4.757 4.170 0.013 0.000 0.282 300 I C 0.371 176.422 176.117 -0.110 0.000 1.031 300 I CA 0.016 61.261 61.300 -0.093 0.000 1.180 300 I CB 0.826 38.827 38.000 0.002 0.000 1.336 300 I HN 0.728 nan 8.210 nan 0.000 0.467 301 A N 4.842 127.579 122.820 -0.138 0.000 2.313 301 A HA 0.974 5.302 4.320 0.013 0.000 0.323 301 A C 0.058 177.496 177.584 -0.243 0.000 1.133 301 A CA -0.521 51.414 52.037 -0.170 0.000 0.847 301 A CB 1.634 20.544 19.000 -0.148 0.000 1.308 301 A HN 0.680 nan 8.150 nan 0.000 0.475 302 G N -1.419 107.073 108.800 -0.514 0.000 2.533 302 G HA2 0.623 4.591 3.960 0.013 0.000 0.304 302 G HA3 0.623 4.591 3.960 0.013 0.000 0.304 302 G C -1.136 173.165 174.900 -0.997 0.000 1.263 302 G CA -0.491 44.230 45.100 -0.632 0.000 0.964 302 G HN 1.431 nan 8.290 nan 0.000 0.479 303 W N 0.677 121.664 121.300 -0.521 0.000 2.936 303 W HA 0.813 5.481 4.660 0.013 0.000 0.338 303 W C -0.728 175.854 176.519 0.105 0.000 1.121 303 W CA -1.726 55.457 57.345 -0.271 0.000 1.209 303 W CB 1.689 31.062 29.460 -0.145 0.000 1.420 303 W HN 0.552 nan 8.180 nan 0.000 0.516 304 R N 3.593 124.355 120.500 0.437 0.000 2.412 304 R HA 0.483 4.831 4.340 0.013 0.000 0.304 304 R C 0.849 177.323 176.300 0.290 0.000 1.066 304 R CA 0.429 56.704 56.100 0.292 0.000 0.923 304 R CB 0.669 31.142 30.300 0.288 0.000 1.156 304 R HN 1.253 nan 8.270 nan 0.000 0.513 305 G N 3.352 112.333 108.800 0.303 0.000 3.274 305 G HA2 -0.402 3.566 3.960 0.013 0.000 0.313 305 G HA3 -0.402 3.566 3.960 0.013 0.000 0.313 305 G C 0.466 175.509 174.900 0.238 0.000 1.295 305 G CA 0.673 45.916 45.100 0.237 0.000 1.004 305 G HN 0.544 nan 8.290 nan 0.000 0.614 306 E N 1.472 121.778 120.200 0.177 0.000 2.693 306 E HA 0.338 4.696 4.350 0.013 0.000 0.214 306 E C 0.353 177.038 176.600 0.142 0.000 0.990 306 E CA 0.090 56.564 56.400 0.122 0.000 1.047 306 E CB 0.253 29.998 29.700 0.076 0.000 1.039 306 E HN 0.487 nan 8.360 nan 0.000 0.475 307 E N -0.400 119.935 120.200 0.225 0.000 2.232 307 E HA 0.507 4.864 4.350 0.013 0.000 0.264 307 E C -0.941 175.845 176.600 0.310 0.000 0.973 307 E CA -0.634 55.926 56.400 0.267 0.000 0.849 307 E CB 1.945 31.837 29.700 0.320 0.000 1.198 307 E HN -0.082 nan 8.360 nan 0.000 0.407 308 S N 0.996 116.865 115.700 0.282 0.000 2.626 308 S HA 0.555 5.033 4.470 0.013 0.000 0.275 308 S C -1.710 172.970 174.600 0.134 0.000 1.175 308 S CA -0.720 57.522 58.200 0.070 0.000 0.982 308 S CB 0.037 63.254 63.200 0.028 0.000 1.093 308 S HN 0.393 nan 8.310 nan 0.000 0.472 309 F N 2.053 122.064 119.950 0.102 0.000 2.588 309 F HA 0.836 5.370 4.527 0.013 0.000 0.314 309 F C -3.115 172.726 175.800 0.068 0.000 1.069 309 F CA -2.815 55.230 58.000 0.076 0.000 0.931 309 F CB 0.253 39.301 39.000 0.080 0.000 1.260 309 F HN 0.217 nan 8.300 nan 0.000 0.465 310 P HA 0.403 nan 4.420 nan 0.000 0.278 310 P C -0.006 177.389 177.300 0.159 0.000 1.238 310 P CA -0.294 62.858 63.100 0.086 0.000 0.794 310 P CB 1.354 33.097 31.700 0.072 0.000 0.955 311 L N 0.589 121.895 121.223 0.139 0.000 2.840 311 L HA 0.479 4.826 4.340 0.013 0.000 0.249 311 L C 0.874 177.941 176.870 0.328 0.000 1.119 311 L CA 0.081 55.080 54.840 0.265 0.000 0.930 311 L CB 0.523 42.770 42.059 0.313 0.000 1.295 311 L HN 0.532 nan 8.230 nan 0.000 0.534 312 G N 0.278 109.211 108.800 0.221 0.000 2.655 312 G HA2 0.320 4.288 3.960 0.013 0.000 0.296 312 G HA3 0.320 4.288 3.960 0.013 0.000 0.296 312 G C -1.453 173.448 174.900 0.001 0.000 1.485 312 G CA -0.527 44.647 45.100 0.124 0.000 0.869 312 G HN -0.136 nan 8.290 nan 0.000 0.540 313 L N 2.626 123.795 121.223 -0.089 0.000 2.448 313 L HA 0.412 4.760 4.340 0.013 0.000 0.278 313 L C 1.425 178.170 176.870 -0.208 0.000 1.201 313 L CA -0.361 54.384 54.840 -0.159 0.000 1.036 313 L CB -0.020 41.918 42.059 -0.201 0.000 1.325 313 L HN 0.857 nan 8.230 nan 0.000 0.441 314 A N 3.004 125.665 122.820 -0.265 0.000 2.616 314 A HA 0.132 4.460 4.320 0.013 0.000 0.242 314 A C 1.555 178.720 177.584 -0.699 0.000 0.987 314 A CA 0.976 52.687 52.037 -0.543 0.000 0.800 314 A CB -0.229 18.298 19.000 -0.789 0.000 0.883 314 A HN 1.186 nan 8.150 nan 0.000 0.496 315 G N 0.831 109.224 108.800 -0.678 0.000 2.284 315 G HA2 -0.318 3.650 3.960 0.013 0.000 0.268 315 G HA3 -0.318 3.650 3.960 0.013 0.000 0.268 315 G C 0.947 175.898 174.900 0.084 0.000 0.980 315 G CA 1.239 46.142 45.100 -0.328 0.000 0.631 315 G HN 1.434 nan 8.290 nan 0.000 0.548 316 V N -0.482 119.394 119.914 -0.065 0.000 2.599 316 V HA 0.646 4.774 4.120 0.013 0.000 0.237 316 V C 0.807 176.886 176.094 -0.025 0.000 1.081 316 V CA 2.039 64.328 62.300 -0.019 0.000 1.107 316 V CB 0.489 32.258 31.823 -0.091 0.000 0.808 316 V HN 0.634 nan 8.190 nan 0.000 0.486 317 M N -0.547 118.997 119.600 -0.093 0.000 2.389 317 M HA 0.567 5.054 4.480 0.013 0.000 0.291 317 M C -0.375 175.793 176.300 -0.219 0.000 1.128 317 M CA -0.325 54.901 55.300 -0.124 0.000 0.942 317 M CB 1.644 34.191 32.600 -0.088 0.000 1.783 317 M HN 0.289 nan 8.290 nan 0.000 0.501 318 G N 1.688 110.255 108.800 -0.389 0.000 2.667 318 G HA2 0.505 4.473 3.960 0.013 0.000 0.250 318 G HA3 0.505 4.473 3.960 0.013 0.000 0.250 318 G C 0.058 174.817 174.900 -0.235 0.000 1.212 318 G CA -0.115 44.625 45.100 -0.599 0.000 0.874 318 G HN 0.925 nan 8.290 nan 0.000 0.561 319 G N -1.302 107.422 108.800 -0.127 0.000 2.444 319 G HA2 0.522 4.489 3.960 0.013 0.000 0.268 319 G HA3 0.522 4.489 3.960 0.013 0.000 0.268 319 G C 1.067 175.930 174.900 -0.063 0.000 1.203 319 G CA 0.524 45.598 45.100 -0.044 0.000 0.835 319 G HN 0.961 nan 8.290 nan 0.000 0.543 320 A N 1.127 123.907 122.820 -0.066 0.000 1.902 320 A HA -0.086 4.242 4.320 0.013 0.000 0.217 320 A C 2.014 179.512 177.584 -0.142 0.000 1.181 320 A CA 2.052 54.041 52.037 -0.080 0.000 0.623 320 A CB -0.504 18.462 19.000 -0.058 0.000 0.818 320 A HN 0.777 nan 8.150 nan 0.000 0.443 321 E N 0.302 120.383 120.200 -0.198 0.000 2.031 321 E HA -0.184 4.174 4.350 0.013 0.000 0.193 321 E C 2.045 178.170 176.600 -0.790 0.000 0.994 321 E CA 1.746 57.896 56.400 -0.416 0.000 0.800 321 E CB -0.145 29.326 29.700 -0.383 0.000 0.752 321 E HN 0.707 nan 8.360 nan 0.000 0.447 322 S N 0.241 115.579 115.700 -0.604 0.000 2.607 322 S HA -0.043 4.435 4.470 0.013 0.000 0.224 322 S C 0.715 175.218 174.600 -0.162 0.000 0.969 322 S CA -0.100 57.820 58.200 -0.467 0.000 0.927 322 S CB -0.115 63.108 63.200 0.039 0.000 0.772 322 S HN 0.302 nan 8.310 nan 0.000 0.533 323 E N 2.050 122.152 120.200 -0.163 0.000 2.467 323 E HA 0.063 4.421 4.350 0.013 0.000 0.264 323 E C 0.206 176.754 176.600 -0.087 0.000 1.020 323 E CA -0.020 56.304 56.400 -0.126 0.000 0.945 323 E CB 0.734 30.383 29.700 -0.085 0.000 0.942 323 E HN 0.375 nan 8.360 nan 0.000 0.449 324 V N 2.604 122.453 119.914 -0.108 0.000 2.686 324 V HA 0.412 4.540 4.120 0.013 0.000 0.295 324 V C 0.005 176.080 176.094 -0.032 0.000 1.055 324 V CA -0.202 62.070 62.300 -0.046 0.000 1.050 324 V CB 1.088 32.872 31.823 -0.066 0.000 0.984 324 V HN 0.744 nan 8.190 nan 0.000 0.482 325 R N 2.112 122.615 120.500 0.004 0.000 3.212 325 R HA 0.453 4.800 4.340 0.013 0.000 0.240 325 R C 0.947 177.251 176.300 0.006 0.000 1.470 325 R CA -0.517 55.585 56.100 0.003 0.000 1.041 325 R CB 0.864 31.177 30.300 0.022 0.000 1.494 325 R HN 0.818 nan 8.270 nan 0.000 0.502 326 E N 0.584 120.789 120.200 0.008 0.000 2.106 326 E HA -0.127 4.231 4.350 0.013 0.000 0.192 326 E C 0.073 176.681 176.600 0.014 0.000 0.984 326 E CA 1.052 57.456 56.400 0.006 0.000 0.806 326 E CB 0.184 29.886 29.700 0.005 0.000 0.750 326 E HN 0.329 nan 8.360 nan 0.000 0.458 327 D N 0.843 121.258 120.400 0.024 0.000 2.352 327 D HA -0.027 4.621 4.640 0.013 0.000 0.236 327 D C 0.006 176.328 176.300 0.036 0.000 1.148 327 D CA 0.371 54.388 54.000 0.028 0.000 0.844 327 D CB 0.115 40.932 40.800 0.029 0.000 0.933 327 D HN 0.139 nan 8.370 nan 0.000 0.507 328 T N -2.374 112.203 114.554 0.039 0.000 2.867 328 T HA 0.432 4.790 4.350 0.013 0.000 0.282 328 T C 0.777 175.502 174.700 0.042 0.000 1.000 328 T CA -0.571 61.559 62.100 0.050 0.000 1.042 328 T CB 2.413 71.317 68.868 0.061 0.000 0.973 328 T HN -0.221 nan 8.240 nan 0.000 0.465 329 E N 1.536 121.770 120.200 0.057 0.000 2.391 329 E HA 0.472 4.829 4.350 0.013 0.000 0.206 329 E C 0.448 177.105 176.600 0.096 0.000 0.851 329 E CA -0.013 56.427 56.400 0.068 0.000 1.059 329 E CB 0.932 30.680 29.700 0.080 0.000 1.065 329 E HN 0.878 nan 8.360 nan 0.000 0.512 330 A N 1.285 124.178 122.820 0.123 0.000 2.435 330 A HA 0.763 5.091 4.320 0.013 0.000 0.304 330 A C -0.748 176.928 177.584 0.153 0.000 1.064 330 A CA -0.807 51.337 52.037 0.179 0.000 0.727 330 A CB 0.774 19.966 19.000 0.320 0.000 1.284 330 A HN 0.245 nan 8.150 nan 0.000 0.415 331 I N -1.859 118.803 120.570 0.153 0.000 3.145 331 I HA 0.937 5.114 4.170 0.013 0.000 0.313 331 I C -0.247 175.940 176.117 0.116 0.000 1.122 331 I CA -1.313 60.053 61.300 0.109 0.000 0.987 331 I CB 2.427 40.459 38.000 0.053 0.000 1.236 331 I HN 0.724 nan 8.210 nan 0.000 0.453 332 A N 4.074 126.904 122.820 0.016 0.000 2.311 332 A HA 0.634 4.961 4.320 0.013 0.000 0.306 332 A C -0.884 176.772 177.584 0.120 0.000 1.189 332 A CA -0.493 51.475 52.037 -0.116 0.000 0.791 332 A CB 0.895 19.574 19.000 -0.535 0.000 1.172 332 A HN 0.757 nan 8.150 nan 0.000 0.481 333 L N 2.687 124.000 121.223 0.150 0.000 2.281 333 L HA 0.298 4.646 4.340 0.013 0.000 0.285 333 L C 0.507 177.464 176.870 0.144 0.000 1.074 333 L CA -0.192 54.738 54.840 0.150 0.000 0.817 333 L CB 1.014 43.132 42.059 0.098 0.000 1.168 333 L HN 0.906 nan 8.230 nan 0.000 0.434 334 E N 4.567 124.909 120.200 0.237 0.000 2.227 334 E HA 0.422 4.780 4.350 0.013 0.000 0.282 334 E C -1.643 174.982 176.600 0.042 0.000 1.015 334 E CA -0.566 55.911 56.400 0.129 0.000 0.823 334 E CB 1.411 31.388 29.700 0.463 0.000 1.081 334 E HN 0.368 nan 8.360 nan 0.000 0.396 335 V N 3.540 123.345 119.914 -0.182 0.000 2.614 335 V HA 0.627 4.754 4.120 0.013 0.000 0.281 335 V C -0.598 175.310 176.094 -0.311 0.000 1.031 335 V CA -0.319 61.916 62.300 -0.110 0.000 0.899 335 V CB 0.802 32.581 31.823 -0.072 0.000 1.037 335 V HN 0.845 nan 8.190 nan 0.000 0.456 336 A N 2.620 125.301 122.820 -0.231 0.000 2.564 336 A HA 0.902 5.230 4.320 0.013 0.000 0.288 336 A C -1.029 176.419 177.584 -0.227 0.000 1.164 336 A CA -0.540 51.229 52.037 -0.448 0.000 0.712 336 A CB 2.059 20.536 19.000 -0.872 0.000 1.303 336 A HN 1.121 nan 8.150 nan 0.000 0.418 337 C N 0.743 119.855 119.300 -0.314 0.000 2.316 337 C HA 0.813 5.281 4.460 0.013 0.000 0.324 337 C C -1.192 173.599 174.990 -0.333 0.000 1.226 337 C CA -0.893 58.089 59.018 -0.061 0.000 1.450 337 C CB -1.847 25.947 27.740 0.090 0.000 2.123 337 C HN 0.485 nan 8.230 nan 0.000 0.454 338 F N 3.212 123.079 119.950 -0.138 0.000 2.425 338 F HA 0.325 4.860 4.527 0.013 0.000 0.331 338 F C 0.684 176.450 175.800 -0.057 0.000 1.085 338 F CA -0.359 57.518 58.000 -0.205 0.000 1.028 338 F CB 0.827 39.508 39.000 -0.532 0.000 1.177 338 F HN 0.609 nan 8.300 nan 0.000 0.487 339 D N 4.110 124.614 120.400 0.175 0.000 2.502 339 D HA -0.006 4.642 4.640 0.013 0.000 0.249 339 D C -1.808 174.557 176.300 0.108 0.000 1.188 339 D CA -0.924 53.143 54.000 0.112 0.000 0.890 339 D CB 0.913 41.762 40.800 0.081 0.000 1.140 339 D HN 0.145 nan 8.370 nan 0.000 0.505 340 P HA -0.217 nan 4.420 nan 0.000 0.216 340 P C 1.346 178.692 177.300 0.076 0.000 1.154 340 P CA 0.774 63.940 63.100 0.111 0.000 0.865 340 P CB 0.195 31.952 31.700 0.094 0.000 0.789 341 V N -0.628 119.319 119.914 0.055 0.000 2.358 341 V HA -0.212 3.915 4.120 0.013 0.000 0.246 341 V C 2.601 178.708 176.094 0.021 0.000 1.047 341 V CA 2.292 64.614 62.300 0.035 0.000 1.035 341 V CB -1.573 30.266 31.823 0.027 0.000 0.658 341 V HN 0.222 nan 8.190 nan 0.000 0.452 342 S N 0.186 115.896 115.700 0.016 0.000 2.353 342 S HA -0.191 4.287 4.470 0.013 0.000 0.222 342 S C 1.997 176.583 174.600 -0.024 0.000 1.035 342 S CA 1.838 60.030 58.200 -0.013 0.000 1.025 342 S CB -0.295 62.896 63.200 -0.015 0.000 0.902 342 S HN 0.385 nan 8.310 nan 0.000 0.440 343 I N 1.898 122.464 120.570 -0.007 0.000 2.099 343 I HA -0.137 4.041 4.170 0.013 0.000 0.239 343 I C 2.625 178.756 176.117 0.024 0.000 1.066 343 I CA 1.564 62.862 61.300 -0.004 0.000 1.324 343 I CB -1.797 36.239 38.000 0.061 0.000 1.037 343 I HN 0.398 nan 8.210 nan 0.000 0.401 344 R N 1.089 121.615 120.500 0.045 0.000 2.143 344 R HA -0.241 4.106 4.340 0.013 0.000 0.239 344 R C 2.410 178.727 176.300 0.029 0.000 1.126 344 R CA 2.063 58.191 56.100 0.046 0.000 0.927 344 R CB -0.087 30.240 30.300 0.045 0.000 0.860 344 R HN 0.271 nan 8.270 nan 0.000 0.433 345 K N -0.473 119.933 120.400 0.009 0.000 2.000 345 K HA -0.182 4.145 4.320 0.013 0.000 0.218 345 K C 2.178 178.779 176.600 0.001 0.000 1.053 345 K CA 2.426 58.707 56.287 -0.010 0.000 0.946 345 K CB -0.935 31.539 32.500 -0.043 0.000 0.723 345 K HN 0.345 nan 8.250 nan 0.000 0.446 346 T N 1.621 116.172 114.554 -0.005 0.000 2.635 346 T HA -0.201 4.156 4.350 0.013 0.000 0.267 346 T C 2.007 176.764 174.700 0.094 0.000 1.040 346 T CA 1.893 64.017 62.100 0.041 0.000 1.156 346 T CB -0.467 68.377 68.868 -0.040 0.000 0.863 346 T HN 0.436 nan 8.240 nan 0.000 0.430 347 A N 1.921 124.765 122.820 0.040 0.000 1.884 347 A HA -0.263 4.065 4.320 0.013 0.000 0.219 347 A C 2.380 180.014 177.584 0.082 0.000 1.197 347 A CA 2.157 54.225 52.037 0.051 0.000 0.637 347 A CB -0.641 18.391 19.000 0.054 0.000 0.827 347 A HN 0.503 nan 8.150 nan 0.000 0.450 348 R N -1.327 119.213 120.500 0.067 0.000 2.090 348 R HA -0.061 4.287 4.340 0.013 0.000 0.228 348 R C 2.515 178.848 176.300 0.055 0.000 1.110 348 R CA 1.146 57.279 56.100 0.055 0.000 0.973 348 R CB -0.363 29.958 30.300 0.036 0.000 0.869 348 R HN 0.653 nan 8.270 nan 0.000 0.440 349 R N 0.797 121.335 120.500 0.063 0.000 2.133 349 R HA -0.195 4.153 4.340 0.013 0.000 0.247 349 R C 0.564 176.823 176.300 -0.068 0.000 1.151 349 R CA 1.856 57.959 56.100 0.005 0.000 0.971 349 R CB -0.131 30.176 30.300 0.012 0.000 0.866 349 R HN 0.367 nan 8.270 nan 0.000 0.447 350 H N -1.481 117.589 119.070 0.001 0.000 2.505 350 H HA 0.283 4.847 4.556 0.013 0.000 0.286 350 H C 0.635 175.967 175.328 0.006 0.000 1.072 350 H CA 0.414 56.466 56.048 0.006 0.000 1.141 350 H CB 0.980 30.743 29.762 0.002 0.000 1.550 350 H HN 0.512 nan 8.280 nan 0.000 0.547 351 G N 1.107 109.964 108.800 0.095 0.000 2.321 351 G HA2 -0.310 3.657 3.960 0.013 0.000 0.287 351 G HA3 -0.310 3.657 3.960 0.013 0.000 0.287 351 G C -0.122 174.815 174.900 0.063 0.000 1.018 351 G CA 0.320 45.457 45.100 0.061 0.000 0.855 351 G HN 0.351 nan 8.290 nan 0.000 0.507 352 L N -0.549 120.718 121.223 0.074 0.000 2.325 352 L HA 0.761 5.109 4.340 0.013 0.000 0.278 352 L C 0.628 177.524 176.870 0.044 0.000 1.023 352 L CA -1.164 53.706 54.840 0.050 0.000 0.811 352 L CB 1.799 43.879 42.059 0.035 0.000 1.249 352 L HN 0.130 nan 8.230 nan 0.000 0.431 353 R N 2.225 122.747 120.500 0.036 0.000 2.575 353 R HA 0.398 4.746 4.340 0.013 0.000 0.292 353 R C -1.177 175.145 176.300 0.036 0.000 1.246 353 R CA -0.290 55.834 56.100 0.040 0.000 0.973 353 R CB 1.406 31.718 30.300 0.020 0.000 1.187 353 R HN 0.827 nan 8.270 nan 0.000 0.478 354 T N -0.410 114.179 114.554 0.057 0.000 2.938 354 T HA 0.382 4.739 4.350 0.013 0.000 0.285 354 T C 0.916 175.664 174.700 0.081 0.000 1.028 354 T CA -0.772 61.359 62.100 0.052 0.000 1.005 354 T CB 1.580 70.476 68.868 0.045 0.000 1.157 354 T HN 0.355 nan 8.240 nan 0.000 0.550 355 E N 0.143 120.380 120.200 0.061 0.000 2.204 355 E HA -0.032 4.325 4.350 0.013 0.000 0.194 355 E C 2.212 178.845 176.600 0.054 0.000 0.989 355 E CA 1.189 57.631 56.400 0.070 0.000 0.824 355 E CB -0.643 29.078 29.700 0.036 0.000 0.756 355 E HN 0.757 nan 8.360 nan 0.000 0.477 356 A N 1.695 124.549 122.820 0.056 0.000 1.832 356 A HA -0.170 4.158 4.320 0.013 0.000 0.214 356 A C 2.470 180.136 177.584 0.137 0.000 1.204 356 A CA 2.212 54.287 52.037 0.062 0.000 0.606 356 A CB -0.800 18.288 19.000 0.146 0.000 0.849 356 A HN 0.342 nan 8.150 nan 0.000 0.445 357 S N -0.657 115.154 115.700 0.185 0.000 2.368 357 S HA -0.308 4.169 4.470 0.013 0.000 0.225 357 S C 1.981 176.686 174.600 0.176 0.000 1.030 357 S CA 1.922 60.249 58.200 0.212 0.000 0.999 357 S CB -0.875 62.406 63.200 0.135 0.000 0.844 357 S HN 0.723 nan 8.310 nan 0.000 0.459 358 H N 1.836 120.938 119.070 0.052 0.000 2.390 358 H HA -0.010 4.554 4.556 0.013 0.000 0.298 358 H C 2.241 177.577 175.328 0.012 0.000 1.106 358 H CA 2.279 58.344 56.048 0.029 0.000 1.297 358 H CB -0.239 29.527 29.762 0.007 0.000 1.375 358 H HN 0.479 nan 8.280 nan 0.000 0.509 359 R N -1.230 119.162 120.500 -0.180 0.000 2.066 359 R HA -0.007 4.341 4.340 0.013 0.000 0.224 359 R C 2.375 178.575 176.300 -0.167 0.000 1.122 359 R CA 1.181 57.107 56.100 -0.290 0.000 0.974 359 R CB -0.366 29.738 30.300 -0.327 0.000 0.871 359 R HN 0.311 nan 8.270 nan 0.000 0.435 360 F N 1.530 121.487 119.950 0.012 0.000 2.269 360 F HA -0.161 4.374 4.527 0.013 0.000 0.301 360 F C 2.236 178.060 175.800 0.040 0.000 1.082 360 F CA 0.991 59.031 58.000 0.066 0.000 1.360 360 F CB 0.090 39.175 39.000 0.143 0.000 1.041 360 F HN 0.138 nan 8.300 nan 0.000 0.512 361 E N -0.005 120.295 120.200 0.168 0.000 2.008 361 E HA -0.173 4.184 4.350 0.013 0.000 0.191 361 E C 2.201 178.829 176.600 0.047 0.000 0.986 361 E CA 0.746 57.208 56.400 0.103 0.000 0.807 361 E CB -0.137 29.613 29.700 0.084 0.000 0.766 361 E HN 0.138 nan 8.360 nan 0.000 0.450 362 R N -0.212 120.263 120.500 -0.042 0.000 2.139 362 R HA -0.045 4.303 4.340 0.013 0.000 0.243 362 R C 0.341 176.628 176.300 -0.021 0.000 1.145 362 R CA 1.164 57.226 56.100 -0.064 0.000 0.976 362 R CB -0.081 30.108 30.300 -0.184 0.000 0.866 362 R HN 0.283 nan 8.270 nan 0.000 0.449 363 G N -1.583 107.217 108.800 -0.000 0.000 2.760 363 G HA2 0.053 4.021 3.960 0.013 0.000 0.540 363 G HA3 0.053 4.021 3.960 0.013 0.000 0.540 363 G C -1.393 173.516 174.900 0.016 0.000 1.476 363 G CA -0.872 44.249 45.100 0.034 0.000 0.949 363 G HN 0.065 nan 8.290 nan 0.000 0.633 364 V N 2.685 122.640 119.914 0.069 0.000 2.667 364 V HA 0.550 4.678 4.120 0.013 0.000 0.308 364 V C 0.329 176.457 176.094 0.058 0.000 1.048 364 V CA -0.722 61.602 62.300 0.041 0.000 0.928 364 V CB 1.915 33.799 31.823 0.103 0.000 1.004 364 V HN 0.898 nan 8.190 nan 0.000 0.444 365 D N 5.940 126.364 120.400 0.039 0.000 2.472 365 D HA 0.020 4.667 4.640 0.013 0.000 0.248 365 D C -1.292 175.045 176.300 0.061 0.000 1.174 365 D CA -1.185 52.849 54.000 0.057 0.000 0.883 365 D CB 1.643 42.472 40.800 0.048 0.000 1.149 365 D HN 0.289 nan 8.370 nan 0.000 0.488 366 P HA -0.077 nan 4.420 nan 0.000 0.230 366 P C 0.851 178.134 177.300 -0.029 0.000 1.158 366 P CA 0.683 63.794 63.100 0.018 0.000 0.769 366 P CB 0.408 32.105 31.700 -0.005 0.000 0.807 367 L N -1.736 119.487 121.223 -0.001 0.000 3.439 367 L HA 0.376 4.723 4.340 0.013 0.000 0.313 367 L C 1.626 178.522 176.870 0.043 0.000 1.292 367 L CA -0.031 54.800 54.840 -0.015 0.000 1.020 367 L CB 0.436 42.473 42.059 -0.037 0.000 1.424 367 L HN -0.109 nan 8.230 nan 0.000 0.612 368 G N -0.986 107.848 108.800 0.057 0.000 3.088 368 G HA2 0.006 3.974 3.960 0.013 0.000 0.217 368 G HA3 0.006 3.974 3.960 0.013 0.000 0.217 368 G C 1.028 175.952 174.900 0.041 0.000 1.159 368 G CA -0.040 45.079 45.100 0.032 0.000 0.760 368 G HN 0.143 nan 8.290 nan 0.000 0.550 369 Q N 0.532 120.387 119.800 0.091 0.000 1.942 369 Q HA -0.058 4.290 4.340 0.013 0.000 0.203 369 Q C 2.809 178.828 176.000 0.032 0.000 0.987 369 Q CA 1.374 57.210 55.803 0.056 0.000 0.844 369 Q CB -1.027 27.738 28.738 0.044 0.000 0.911 369 Q HN 0.213 nan 8.270 nan 0.000 0.423 370 V N 2.168 122.119 119.914 0.062 0.000 2.278 370 V HA -0.248 3.880 4.120 0.013 0.000 0.251 370 V C -0.853 175.259 176.094 0.030 0.000 1.062 370 V CA 2.454 64.780 62.300 0.043 0.000 1.038 370 V CB -1.802 30.062 31.823 0.068 0.000 0.646 370 V HN 0.411 nan 8.190 nan 0.000 0.447 371 P HA -0.189 nan 4.420 nan 0.000 0.216 371 P C 1.590 178.897 177.300 0.011 0.000 1.150 371 P CA 2.272 65.380 63.100 0.014 0.000 0.837 371 P CB -0.100 31.602 31.700 0.002 0.000 0.786 372 A N 0.212 123.036 122.820 0.008 0.000 1.902 372 A HA -0.206 4.122 4.320 0.013 0.000 0.217 372 A C 2.444 180.040 177.584 0.020 0.000 1.181 372 A CA 1.376 53.418 52.037 0.008 0.000 0.623 372 A CB -1.291 17.709 19.000 0.000 0.000 0.818 372 A HN 0.099 nan 8.150 nan 0.000 0.443 373 Q N -0.594 119.215 119.800 0.016 0.000 2.096 373 Q HA -0.182 4.165 4.340 0.013 0.000 0.204 373 Q C 2.216 178.231 176.000 0.025 0.000 0.982 373 Q CA 1.320 57.135 55.803 0.020 0.000 0.850 373 Q CB -0.300 28.448 28.738 0.016 0.000 0.901 373 Q HN 0.494 nan 8.270 nan 0.000 0.422 374 R N 0.175 120.689 120.500 0.023 0.000 2.090 374 R HA -0.000 4.347 4.340 0.013 0.000 0.228 374 R C 2.099 178.414 176.300 0.025 0.000 1.110 374 R CA 0.527 56.640 56.100 0.021 0.000 0.973 374 R CB -0.516 29.795 30.300 0.018 0.000 0.869 374 R HN 0.151 nan 8.270 nan 0.000 0.440 375 R N 0.781 121.302 120.500 0.034 0.000 2.081 375 R HA 0.004 4.351 4.340 0.013 0.000 0.235 375 R C 1.901 178.239 176.300 0.065 0.000 1.131 375 R CA 1.622 57.755 56.100 0.055 0.000 0.960 375 R CB -0.277 30.062 30.300 0.064 0.000 0.856 375 R HN 0.205 nan 8.270 nan 0.000 0.436 376 A N 0.770 123.623 122.820 0.055 0.000 1.854 376 A HA -0.071 4.257 4.320 0.013 0.000 0.214 376 A C 2.421 180.018 177.584 0.023 0.000 1.192 376 A CA 0.871 52.939 52.037 0.051 0.000 0.611 376 A CB -0.590 18.438 19.000 0.046 0.000 0.832 376 A HN 0.270 nan 8.150 nan 0.000 0.442 377 L N -0.214 121.017 121.223 0.012 0.000 2.042 377 L HA -0.199 4.149 4.340 0.013 0.000 0.210 377 L C 2.953 179.807 176.870 -0.026 0.000 1.076 377 L CA 1.536 56.368 54.840 -0.014 0.000 0.749 377 L CB -0.485 41.569 42.059 -0.008 0.000 0.893 377 L HN 0.561 nan 8.230 nan 0.000 0.432 378 S N 0.444 116.140 115.700 -0.007 0.000 2.363 378 S HA -0.218 4.260 4.470 0.013 0.000 0.218 378 S C 2.049 176.642 174.600 -0.011 0.000 1.035 378 S CA 1.469 59.662 58.200 -0.011 0.000 1.043 378 S CB -0.435 62.768 63.200 0.005 0.000 0.986 378 S HN 0.308 nan 8.310 nan 0.000 0.423 379 L N 1.055 122.286 121.223 0.013 0.000 2.089 379 L HA -0.158 4.189 4.340 0.013 0.000 0.213 379 L C 2.557 179.419 176.870 -0.012 0.000 1.079 379 L CA 1.404 56.255 54.840 0.018 0.000 0.758 379 L CB -0.543 41.549 42.059 0.055 0.000 0.891 379 L HN 0.412 nan 8.230 nan 0.000 0.433 380 L N -0.969 120.237 121.223 -0.027 0.000 2.131 380 L HA -0.248 4.100 4.340 0.013 0.000 0.210 380 L C 2.590 179.418 176.870 -0.071 0.000 1.092 380 L CA 1.198 56.006 54.840 -0.053 0.000 0.759 380 L CB -0.426 41.594 42.059 -0.064 0.000 0.903 380 L HN 0.398 nan 8.230 nan 0.000 0.435 381 Q N -0.207 119.548 119.800 -0.074 0.000 2.230 381 Q HA -0.137 4.211 4.340 0.013 0.000 0.202 381 Q C 2.110 178.073 176.000 -0.063 0.000 0.963 381 Q CA 1.376 57.126 55.803 -0.089 0.000 0.866 381 Q CB 0.099 28.783 28.738 -0.090 0.000 0.931 381 Q HN 0.509 nan 8.270 nan 0.000 0.452 382 A N -0.780 122.015 122.820 -0.041 0.000 2.095 382 A HA 0.055 4.382 4.320 0.013 0.000 0.212 382 A C 1.381 178.955 177.584 -0.016 0.000 1.162 382 A CA 0.475 52.497 52.037 -0.026 0.000 0.753 382 A CB 0.303 19.294 19.000 -0.015 0.000 0.840 382 A HN 0.345 nan 8.150 nan 0.000 0.468 383 L N -2.347 118.861 121.223 -0.024 0.000 2.642 383 L HA 0.403 4.750 4.340 0.013 0.000 0.233 383 L C 1.899 178.741 176.870 -0.047 0.000 1.077 383 L CA 1.231 56.052 54.840 -0.031 0.000 0.879 383 L CB 0.113 42.142 42.059 -0.050 0.000 1.151 383 L HN 0.281 nan 8.230 nan 0.000 0.495 384 A N -1.025 121.762 122.820 -0.054 0.000 2.538 384 A HA 0.538 4.866 4.320 0.013 0.000 0.269 384 A C 1.480 179.027 177.584 -0.061 0.000 1.231 384 A CA 0.333 52.337 52.037 -0.056 0.000 0.948 384 A CB -0.422 18.540 19.000 -0.064 0.000 1.110 384 A HN 0.307 nan 8.150 nan 0.000 0.529 385 G N 0.110 108.874 108.800 -0.060 0.000 2.416 385 G HA2 0.018 3.986 3.960 0.013 0.000 0.301 385 G HA3 0.018 3.986 3.960 0.013 0.000 0.301 385 G C 0.559 175.398 174.900 -0.102 0.000 0.985 385 G CA 0.701 45.762 45.100 -0.066 0.000 0.934 385 G HN 1.558 nan 8.290 nan 0.000 0.513 386 A N -0.529 122.209 122.820 -0.136 0.000 2.346 386 A HA 0.728 5.056 4.320 0.013 0.000 0.252 386 A C 0.909 178.296 177.584 -0.328 0.000 1.089 386 A CA -0.164 51.738 52.037 -0.225 0.000 0.797 386 A CB 0.441 19.311 19.000 -0.218 0.000 1.047 386 A HN 0.523 nan 8.150 nan 0.000 0.494 387 R N 1.070 121.200 120.500 -0.617 0.000 2.423 387 R HA 0.356 4.703 4.340 0.013 0.000 0.293 387 R C -1.075 174.594 176.300 -1.051 0.000 1.196 387 R CA -0.408 55.206 56.100 -0.809 0.000 1.262 387 R CB 0.900 30.590 30.300 -1.016 0.000 1.116 387 R HN 0.518 nan 8.270 nan 0.000 0.566 388 V N 2.420 122.027 119.914 -0.512 0.000 2.673 388 V HA 0.060 4.188 4.120 0.013 0.000 0.303 388 V C 1.127 177.115 176.094 -0.176 0.000 1.046 388 V CA -0.060 62.042 62.300 -0.329 0.000 1.126 388 V CB 0.829 32.556 31.823 -0.160 0.000 0.934 388 V HN 0.721 nan 8.190 nan 0.000 0.487 389 A N 3.511 126.309 122.820 -0.036 0.000 2.280 389 A HA 0.330 4.657 4.320 0.013 0.000 0.268 389 A C 1.142 178.793 177.584 0.112 0.000 1.111 389 A CA -0.007 52.134 52.037 0.174 0.000 0.814 389 A CB 0.292 19.540 19.000 0.412 0.000 1.093 389 A HN 0.948 nan 8.150 nan 0.000 0.498 390 E N -0.959 119.314 120.200 0.122 0.000 2.251 390 E HA 0.284 4.642 4.350 0.013 0.000 0.194 390 E C 0.654 177.298 176.600 0.073 0.000 0.964 390 E CA 0.524 56.970 56.400 0.078 0.000 0.868 390 E CB 0.221 29.961 29.700 0.066 0.000 0.828 390 E HN 0.771 nan 8.360 nan 0.000 0.481 391 A N 1.071 123.942 122.820 0.084 0.000 2.303 391 A HA 0.557 4.885 4.320 0.013 0.000 0.317 391 A C -0.314 177.313 177.584 0.072 0.000 1.149 391 A CA -0.577 51.496 52.037 0.061 0.000 0.822 391 A CB 0.697 19.720 19.000 0.037 0.000 1.131 391 A HN 0.201 nan 8.150 nan 0.000 0.493 392 L N 0.129 121.385 121.223 0.056 0.000 2.687 392 L HA 0.569 4.917 4.340 0.013 0.000 0.252 392 L C -0.930 175.964 176.870 0.039 0.000 1.115 392 L CA -0.900 53.978 54.840 0.063 0.000 0.893 392 L CB 0.675 42.762 42.059 0.045 0.000 1.670 392 L HN 0.516 nan 8.230 nan 0.000 0.531 393 L N 0.748 122.001 121.223 0.050 0.000 2.471 393 L HA 0.335 4.683 4.340 0.013 0.000 0.263 393 L C -0.539 176.364 176.870 0.055 0.000 0.985 393 L CA 0.094 54.964 54.840 0.050 0.000 0.868 393 L CB 1.359 43.465 42.059 0.078 0.000 1.203 393 L HN 0.415 nan 8.230 nan 0.000 0.429 394 E N 2.099 122.324 120.200 0.042 0.000 2.248 394 E HA 0.811 5.169 4.350 0.013 0.000 0.272 394 E C -0.602 176.044 176.600 0.076 0.000 1.008 394 E CA -0.738 55.679 56.400 0.029 0.000 0.856 394 E CB 2.094 31.828 29.700 0.058 0.000 1.120 394 E HN 0.518 nan 8.360 nan 0.000 0.397 395 A N 1.672 124.544 122.820 0.086 0.000 2.768 395 A HA 0.610 4.938 4.320 0.013 0.000 0.299 395 A C -0.320 177.363 177.584 0.164 0.000 1.171 395 A CA 0.092 52.202 52.037 0.122 0.000 0.759 395 A CB 0.684 19.773 19.000 0.148 0.000 1.267 395 A HN 0.693 nan 8.150 nan 0.000 0.421 396 G N -0.057 108.849 108.800 0.175 0.000 2.627 396 G HA2 0.438 4.405 3.960 0.013 0.000 0.680 396 G HA3 0.438 4.405 3.960 0.013 0.000 0.680 396 G C -0.467 174.552 174.900 0.198 0.000 1.341 396 G CA -0.041 45.176 45.100 0.195 0.000 0.835 396 G HN 1.654 nan 8.290 nan 0.000 0.643 397 S N 2.535 118.274 115.700 0.064 0.000 2.252 397 S HA 0.665 5.142 4.470 0.013 0.000 0.187 397 S C -1.896 172.663 174.600 -0.068 0.000 1.587 397 S CA -0.804 57.391 58.200 -0.009 0.000 1.215 397 S CB 0.565 63.774 63.200 0.014 0.000 1.085 397 S HN 0.559 nan 8.310 nan 0.000 0.466 398 P HA 0.203 nan 4.420 nan 0.000 0.269 398 P C -0.827 176.417 177.300 -0.094 0.000 1.215 398 P CA -0.270 62.748 63.100 -0.136 0.000 0.780 398 P CB 0.444 32.009 31.700 -0.226 0.000 0.898 399 K N 3.341 123.707 120.400 -0.056 0.000 2.234 399 K HA 0.332 4.660 4.320 0.013 0.000 0.277 399 K C -2.004 174.575 176.600 -0.034 0.000 1.038 399 K CA -1.838 54.427 56.287 -0.037 0.000 0.888 399 K CB -0.048 32.439 32.500 -0.021 0.000 1.091 399 K HN 0.410 nan 8.250 nan 0.000 0.467 400 P HA 0.043 nan 4.420 nan 0.000 0.269 400 P C -2.273 175.017 177.300 -0.017 0.000 1.211 400 P CA -0.711 62.375 63.100 -0.023 0.000 0.781 400 P CB -0.588 31.103 31.700 -0.016 0.000 0.877 401 P HA 0.119 nan 4.420 nan 0.000 0.267 401 P C -0.134 177.161 177.300 -0.009 0.000 1.200 401 P CA 0.275 63.366 63.100 -0.016 0.000 0.772 401 P CB 0.780 32.464 31.700 -0.026 0.000 0.855 402 E N 0.247 120.444 120.200 -0.004 0.000 2.312 402 E HA 0.478 4.836 4.350 0.013 0.000 0.259 402 E C 0.138 176.743 176.600 0.009 0.000 1.122 402 E CA -0.819 55.583 56.400 0.004 0.000 0.922 402 E CB 0.649 30.352 29.700 0.006 0.000 1.109 402 E HN 0.538 nan 8.360 nan 0.000 0.442 403 A N 1.541 124.372 122.820 0.018 0.000 2.351 403 A HA 0.386 4.714 4.320 0.013 0.000 0.257 403 A C -0.546 177.062 177.584 0.041 0.000 1.087 403 A CA -0.285 51.770 52.037 0.031 0.000 0.798 403 A CB 0.286 19.310 19.000 0.040 0.000 1.033 403 A HN 0.391 nan 8.150 nan 0.000 0.488 404 I N 1.961 122.566 120.570 0.059 0.000 2.436 404 I HA 0.333 4.510 4.170 0.013 0.000 0.289 404 I C -2.553 173.644 176.117 0.134 0.000 1.010 404 I CA -2.701 58.647 61.300 0.081 0.000 1.098 404 I CB 1.483 39.527 38.000 0.072 0.000 1.266 404 I HN 0.388 nan 8.210 nan 0.000 0.434 405 P HA 0.159 nan 4.420 nan 0.000 0.275 405 P C -0.988 176.455 177.300 0.238 0.000 1.276 405 P CA 0.120 63.309 63.100 0.147 0.000 0.782 405 P CB 0.302 32.047 31.700 0.075 0.000 0.851 406 F N 5.495 125.524 119.950 0.132 0.000 2.460 406 F HA 0.460 4.995 4.527 0.013 0.000 0.341 406 F C -0.248 175.692 175.800 0.232 0.000 1.130 406 F CA -1.186 56.907 58.000 0.155 0.000 0.962 406 F CB 1.633 40.694 39.000 0.102 0.000 1.171 406 F HN 0.088 nan 8.300 nan 0.000 0.436 407 R N 7.705 127.892 120.500 -0.522 0.000 2.239 407 R HA 0.327 4.674 4.340 0.013 0.000 0.332 407 R C -2.000 173.884 176.300 -0.693 0.000 0.988 407 R CA -1.799 54.058 56.100 -0.405 0.000 0.859 407 R CB 0.795 31.019 30.300 -0.127 0.000 1.148 407 R HN 0.400 nan 8.270 nan 0.000 0.482 408 P HA -0.238 nan 4.420 nan 0.000 0.229 408 P C 0.568 177.793 177.300 -0.126 0.000 1.150 408 P CA 1.028 63.910 63.100 -0.364 0.000 0.765 408 P CB 0.530 32.212 31.700 -0.031 0.000 0.783 409 E N -0.071 120.075 120.200 -0.090 0.000 2.072 409 E HA -0.189 4.169 4.350 0.013 0.000 0.190 409 E C 1.843 178.452 176.600 0.014 0.000 0.982 409 E CA 0.960 57.349 56.400 -0.018 0.000 0.803 409 E CB -0.689 29.010 29.700 -0.003 0.000 0.755 409 E HN 0.191 nan 8.360 nan 0.000 0.453 410 Y N 1.134 121.356 120.300 -0.129 0.000 2.263 410 Y HA 0.013 4.570 4.550 0.013 0.000 0.292 410 Y C 2.117 177.978 175.900 -0.064 0.000 1.130 410 Y CA 1.445 59.490 58.100 -0.093 0.000 1.179 410 Y CB -0.698 37.703 38.460 -0.098 0.000 0.998 410 Y HN 0.078 nan 8.280 nan 0.000 0.532 411 A N 0.942 123.633 122.820 -0.214 0.000 1.873 411 A HA -0.266 4.062 4.320 0.013 0.000 0.218 411 A C 2.142 179.627 177.584 -0.165 0.000 1.193 411 A CA 2.077 54.004 52.037 -0.183 0.000 0.629 411 A CB -0.939 18.109 19.000 0.080 0.000 0.826 411 A HN 0.592 nan 8.150 nan 0.000 0.447 412 N N -1.020 117.620 118.700 -0.100 0.000 2.453 412 N HA -0.085 4.662 4.740 0.013 0.000 0.183 412 N C 1.814 177.242 175.510 -0.138 0.000 1.041 412 N CA 0.904 53.877 53.050 -0.129 0.000 0.900 412 N CB -0.250 38.184 38.487 -0.087 0.000 0.961 412 N HN 0.559 nan 8.380 nan 0.000 0.443 413 R N 0.158 120.586 120.500 -0.120 0.000 2.066 413 R HA 0.059 4.407 4.340 0.013 0.000 0.224 413 R C 1.942 178.169 176.300 -0.122 0.000 1.122 413 R CA 0.432 56.488 56.100 -0.072 0.000 0.974 413 R CB -0.183 30.141 30.300 0.039 0.000 0.871 413 R HN 0.030 nan 8.270 nan 0.000 0.435 414 L N 0.745 121.810 121.223 -0.264 0.000 2.291 414 L HA -0.010 4.337 4.340 0.013 0.000 0.214 414 L C 1.379 178.124 176.870 -0.208 0.000 1.120 414 L CA 1.536 56.206 54.840 -0.283 0.000 0.799 414 L CB 0.105 41.810 42.059 -0.591 0.000 0.925 414 L HN 0.187 nan 8.230 nan 0.000 0.446 415 L N -1.437 119.663 121.223 -0.204 0.000 2.515 415 L HA 0.357 4.704 4.340 0.013 0.000 0.223 415 L C 1.545 178.310 176.870 -0.175 0.000 1.079 415 L CA 0.558 55.288 54.840 -0.184 0.000 0.857 415 L CB -0.342 41.613 42.059 -0.173 0.000 1.050 415 L HN 0.357 nan 8.230 nan 0.000 0.476 416 G N 1.293 109.993 108.800 -0.166 0.000 2.137 416 G HA2 -0.260 3.708 3.960 0.013 0.000 0.237 416 G HA3 -0.260 3.708 3.960 0.013 0.000 0.237 416 G C 0.322 175.108 174.900 -0.191 0.000 1.002 416 G CA 0.399 45.415 45.100 -0.141 0.000 0.702 416 G HN 0.402 nan 8.290 nan 0.000 0.515 417 T N -2.366 112.017 114.554 -0.285 0.000 2.938 417 T HA 0.772 5.130 4.350 0.013 0.000 0.285 417 T C 0.435 174.913 174.700 -0.369 0.000 1.028 417 T CA 0.293 62.118 62.100 -0.458 0.000 1.005 417 T CB 2.079 70.347 68.868 -0.999 0.000 1.157 417 T HN 1.460 nan 8.240 nan 0.000 0.550 418 S N -0.146 115.327 115.700 -0.377 0.000 2.359 418 S HA 0.325 4.803 4.470 0.013 0.000 0.148 418 S C -0.992 173.563 174.600 -0.074 0.000 1.610 418 S CA -0.905 57.193 58.200 -0.170 0.000 1.274 418 S CB -0.902 62.244 63.200 -0.090 0.000 1.380 418 S HN 0.692 nan 8.310 nan 0.000 0.380 419 Y N 3.028 123.330 120.300 0.003 0.000 2.335 419 Y HA 0.368 4.926 4.550 0.013 0.000 0.331 419 Y C -1.952 173.959 175.900 0.018 0.000 1.094 419 Y CA -2.326 55.781 58.100 0.011 0.000 1.253 419 Y CB 0.851 39.322 38.460 0.018 0.000 1.203 419 Y HN 0.330 nan 8.280 nan 0.000 0.508 420 P HA -0.052 nan 4.420 nan 0.000 0.271 420 P C 0.347 177.711 177.300 0.107 0.000 1.216 420 P CA 0.131 63.297 63.100 0.109 0.000 0.771 420 P CB 1.216 32.964 31.700 0.079 0.000 0.864 421 E N 3.111 123.370 120.200 0.099 0.000 2.172 421 E HA -0.336 4.021 4.350 0.013 0.000 0.213 421 E C 1.898 178.541 176.600 0.071 0.000 1.051 421 E CA 2.316 58.778 56.400 0.103 0.000 0.860 421 E CB -0.395 29.379 29.700 0.125 0.000 0.755 421 E HN 0.566 nan 8.360 nan 0.000 0.462 422 A N 1.043 123.897 122.820 0.057 0.000 1.869 422 A HA -0.311 4.017 4.320 0.013 0.000 0.218 422 A C 1.945 179.529 177.584 0.001 0.000 1.203 422 A CA 2.155 54.209 52.037 0.028 0.000 0.638 422 A CB -0.789 18.228 19.000 0.029 0.000 0.831 422 A HN 0.415 nan 8.150 nan 0.000 0.450 423 E N -0.435 119.767 120.200 0.004 0.000 2.097 423 E HA -0.273 4.085 4.350 0.013 0.000 0.196 423 E C 2.315 178.881 176.600 -0.057 0.000 1.000 423 E CA 1.514 57.892 56.400 -0.037 0.000 0.804 423 E CB -0.312 29.357 29.700 -0.051 0.000 0.740 423 E HN 0.774 nan 8.360 nan 0.000 0.454 424 Q N 0.315 120.110 119.800 -0.007 0.000 2.002 424 Q HA -0.178 4.169 4.340 0.013 0.000 0.204 424 Q C 2.408 178.369 176.000 -0.065 0.000 0.988 424 Q CA 1.213 57.022 55.803 0.010 0.000 0.843 424 Q CB -0.172 28.677 28.738 0.185 0.000 0.908 424 Q HN 0.303 nan 8.270 nan 0.000 0.420 425 I N 1.044 121.571 120.570 -0.072 0.000 2.194 425 I HA -0.276 3.901 4.170 0.013 0.000 0.246 425 I C 2.439 178.481 176.117 -0.126 0.000 1.093 425 I CA 1.466 62.674 61.300 -0.155 0.000 1.355 425 I CB -1.768 36.128 38.000 -0.174 0.000 1.046 425 I HN 0.148 nan 8.210 nan 0.000 0.413 426 A N 1.744 124.510 122.820 -0.091 0.000 1.851 426 A HA -0.199 4.129 4.320 0.013 0.000 0.216 426 A C 2.420 179.938 177.584 -0.111 0.000 1.195 426 A CA 1.787 53.773 52.037 -0.085 0.000 0.622 426 A CB -0.928 18.031 19.000 -0.069 0.000 0.831 426 A HN 0.361 nan 8.150 nan 0.000 0.444 427 I N -0.273 120.222 120.570 -0.125 0.000 2.069 427 I HA -0.321 3.857 4.170 0.013 0.000 0.237 427 I C 2.490 178.514 176.117 -0.154 0.000 1.053 427 I CA 1.602 62.817 61.300 -0.142 0.000 1.311 427 I CB -0.590 37.321 38.000 -0.147 0.000 1.030 427 I HN 0.322 nan 8.210 nan 0.000 0.398 428 L N 0.441 121.552 121.223 -0.186 0.000 2.103 428 L HA -0.295 4.053 4.340 0.013 0.000 0.215 428 L C 2.511 179.289 176.870 -0.154 0.000 1.080 428 L CA 1.796 56.507 54.840 -0.215 0.000 0.764 428 L CB -0.632 41.237 42.059 -0.316 0.000 0.890 428 L HN 0.313 nan 8.230 nan 0.000 0.435 429 K N -0.637 119.686 120.400 -0.129 0.000 2.288 429 K HA -0.090 4.238 4.320 0.013 0.000 0.201 429 K C 2.115 178.670 176.600 -0.075 0.000 1.048 429 K CA 0.647 56.883 56.287 -0.086 0.000 0.956 429 K CB 0.052 32.512 32.500 -0.068 0.000 0.746 429 K HN 0.310 nan 8.250 nan 0.000 0.461 430 R N 0.238 120.668 120.500 -0.116 0.000 2.161 430 R HA 0.075 4.423 4.340 0.013 0.000 0.213 430 R C 1.550 177.786 176.300 -0.107 0.000 1.055 430 R CA 0.556 56.554 56.100 -0.170 0.000 0.996 430 R CB 0.068 30.192 30.300 -0.294 0.000 0.901 430 R HN 0.116 nan 8.270 nan 0.000 0.456 431 L N 0.003 121.177 121.223 -0.082 0.000 2.612 431 L HA 0.187 4.535 4.340 0.013 0.000 0.230 431 L C 0.828 177.693 176.870 -0.009 0.000 1.140 431 L CA 0.278 55.097 54.840 -0.035 0.000 0.896 431 L CB 0.245 42.263 42.059 -0.069 0.000 1.065 431 L HN 0.427 nan 8.230 nan 0.000 0.447 432 G N -0.928 107.871 108.800 -0.002 0.000 2.132 432 G HA2 -0.241 3.726 3.960 0.013 0.000 0.234 432 G HA3 -0.241 3.726 3.960 0.013 0.000 0.234 432 G C 0.252 175.139 174.900 -0.023 0.000 0.989 432 G CA -0.098 45.013 45.100 0.019 0.000 0.676 432 G HN 0.334 nan 8.290 nan 0.000 0.522 433 C N -0.372 118.893 119.300 -0.058 0.000 2.500 433 C HA 0.738 5.206 4.460 0.013 0.000 0.367 433 C C 1.081 176.046 174.990 -0.042 0.000 1.283 433 C CA -0.477 58.500 59.018 -0.068 0.000 2.456 433 C CB 1.138 28.811 27.740 -0.112 0.000 2.457 433 C HN 0.656 nan 8.230 nan 0.000 0.632 434 R N 0.665 121.148 120.500 -0.029 0.000 2.288 434 R HA 0.524 4.872 4.340 0.013 0.000 0.326 434 R C -1.519 174.783 176.300 0.004 0.000 0.959 434 R CA -0.185 55.911 56.100 -0.005 0.000 0.834 434 R CB 0.586 30.890 30.300 0.007 0.000 1.157 434 R HN 0.619 nan 8.270 nan 0.000 0.470 435 V N 5.058 124.977 119.914 0.008 0.000 2.184 435 V HA 0.166 4.294 4.120 0.013 0.000 0.262 435 V C -0.209 175.952 176.094 0.112 0.000 1.209 435 V CA -0.424 61.899 62.300 0.039 0.000 1.070 435 V CB 0.574 32.374 31.823 -0.038 0.000 1.244 435 V HN 0.810 nan 8.190 nan 0.000 0.477 436 E N 3.220 123.490 120.200 0.116 0.000 1.856 436 E HA 0.512 4.870 4.350 0.013 0.000 0.263 436 E C 0.661 177.360 176.600 0.165 0.000 1.137 436 E CA -0.100 56.369 56.400 0.115 0.000 1.007 436 E CB 0.903 30.647 29.700 0.073 0.000 1.117 436 E HN 0.763 nan 8.360 nan 0.000 0.438 437 G N 1.394 110.348 108.800 0.256 0.000 2.672 437 G HA2 0.229 4.197 3.960 0.013 0.000 0.292 437 G HA3 0.229 4.197 3.960 0.013 0.000 0.292 437 G C 0.181 175.114 174.900 0.056 0.000 1.375 437 G CA -0.607 44.620 45.100 0.212 0.000 0.890 437 G HN 0.345 nan 8.290 nan 0.000 0.476 438 E N -0.437 119.634 120.200 -0.215 0.000 2.391 438 E HA 0.417 4.775 4.350 0.013 0.000 0.206 438 E C 0.941 177.325 176.600 -0.360 0.000 0.851 438 E CA 0.312 56.605 56.400 -0.179 0.000 1.059 438 E CB 1.410 31.043 29.700 -0.112 0.000 1.065 438 E HN 1.777 nan 8.360 nan 0.000 0.512 439 G N 2.774 111.146 108.800 -0.714 0.000 2.674 439 G HA2 -0.105 3.863 3.960 0.013 0.000 0.686 439 G HA3 -0.105 3.863 3.960 0.013 0.000 0.686 439 G C -2.094 172.614 174.900 -0.320 0.000 1.195 439 G CA -0.235 44.479 45.100 -0.644 0.000 0.776 439 G HN 0.038 nan 8.290 nan 0.000 0.654 440 P HA 0.123 nan 4.420 nan 0.000 0.230 440 P C 0.867 178.061 177.300 -0.177 0.000 1.168 440 P CA 1.555 64.550 63.100 -0.174 0.000 0.793 440 P CB 0.438 32.088 31.700 -0.083 0.000 0.851 441 T N -0.823 113.618 114.554 -0.187 0.000 2.821 441 T HA 0.369 4.727 4.350 0.013 0.000 0.307 441 T C -0.539 174.126 174.700 -0.058 0.000 1.034 441 T CA -0.749 61.311 62.100 -0.067 0.000 0.953 441 T CB -0.098 68.747 68.868 -0.038 0.000 0.968 441 T HN -0.198 nan 8.240 nan 0.000 0.462 442 Y N 2.411 122.747 120.300 0.060 0.000 2.299 442 Y HA 0.561 5.118 4.550 0.013 0.000 0.335 442 Y C 1.301 177.267 175.900 0.109 0.000 1.287 442 Y CA -1.123 57.039 58.100 0.102 0.000 1.424 442 Y CB 0.641 39.203 38.460 0.169 0.000 1.326 442 Y HN 0.298 nan 8.280 nan 0.000 0.567 443 R N 1.417 122.078 120.500 0.268 0.000 2.471 443 R HA 0.321 4.669 4.340 0.013 0.000 0.292 443 R C -1.541 174.848 176.300 0.149 0.000 1.192 443 R CA -0.584 55.614 56.100 0.164 0.000 1.257 443 R CB 0.252 30.613 30.300 0.101 0.000 1.130 443 R HN 0.393 nan 8.270 nan 0.000 0.558 444 V N 2.484 122.485 119.914 0.146 0.000 2.385 444 V HA 0.185 4.313 4.120 0.013 0.000 0.269 444 V C 0.743 176.851 176.094 0.024 0.000 1.043 444 V CA -0.228 62.108 62.300 0.061 0.000 0.906 444 V CB 1.428 33.256 31.823 0.007 0.000 0.995 444 V HN 0.518 nan 8.190 nan 0.000 0.467 445 T N 7.972 122.528 114.554 0.004 0.000 2.772 445 T HA 0.502 4.859 4.350 0.013 0.000 0.288 445 T C -2.377 172.301 174.700 -0.036 0.000 0.994 445 T CA -1.945 60.150 62.100 -0.008 0.000 0.951 445 T CB 1.696 70.566 68.868 0.004 0.000 0.933 445 T HN 0.523 nan 8.240 nan 0.000 0.447 446 P HA 0.418 nan 4.420 nan 0.000 0.276 446 P C -2.853 174.390 177.300 -0.095 0.000 1.261 446 P CA -1.817 61.228 63.100 -0.092 0.000 0.800 446 P CB -0.319 31.317 31.700 -0.106 0.000 1.066 447 P HA 0.046 nan 4.420 nan 0.000 0.271 447 P C 1.308 178.525 177.300 -0.138 0.000 1.216 447 P CA 0.194 63.209 63.100 -0.141 0.000 0.776 447 P CB 0.193 31.715 31.700 -0.295 0.000 0.881 448 S N 2.737 118.435 115.700 -0.003 0.000 2.413 448 S HA -0.260 4.218 4.470 0.013 0.000 0.237 448 S C 1.627 176.248 174.600 0.035 0.000 1.044 448 S CA 1.806 60.017 58.200 0.018 0.000 1.024 448 S CB -0.927 62.303 63.200 0.050 0.000 0.829 448 S HN 0.633 nan 8.310 nan 0.000 0.475 449 H N -0.575 118.482 119.070 -0.022 0.000 2.535 449 H HA 0.223 4.787 4.556 0.013 0.000 0.273 449 H C 0.143 175.458 175.328 -0.022 0.000 0.983 449 H CA 0.134 56.166 56.048 -0.025 0.000 1.238 449 H CB -0.432 29.308 29.762 -0.037 0.000 1.412 449 H HN 0.184 nan 8.280 nan 0.000 0.562 450 R N 2.019 122.313 120.500 -0.344 0.000 2.325 450 R HA 0.163 4.510 4.340 0.013 0.000 0.323 450 R C 1.144 177.388 176.300 -0.094 0.000 1.177 450 R CA -0.137 55.832 56.100 -0.218 0.000 1.018 450 R CB 0.243 30.380 30.300 -0.272 0.000 1.070 450 R HN 0.399 nan 8.270 nan 0.000 0.495 451 L N 1.050 122.251 121.223 -0.038 0.000 2.341 451 L HA -0.050 4.298 4.340 0.013 0.000 0.214 451 L C 1.264 178.125 176.870 -0.016 0.000 1.115 451 L CA 0.639 55.469 54.840 -0.017 0.000 0.820 451 L CB -0.200 41.861 42.059 0.004 0.000 0.944 451 L HN 0.412 nan 8.230 nan 0.000 0.452 452 D N 0.588 120.976 120.400 -0.020 0.000 2.325 452 D HA 0.012 4.659 4.640 0.013 0.000 0.234 452 D C 0.420 176.708 176.300 -0.020 0.000 1.122 452 D CA 0.253 54.245 54.000 -0.014 0.000 0.850 452 D CB 0.050 40.844 40.800 -0.009 0.000 0.921 452 D HN 0.256 nan 8.370 nan 0.000 0.513 453 L N 0.888 122.091 121.223 -0.033 0.000 2.401 453 L HA 0.435 4.783 4.340 0.013 0.000 0.263 453 L C 0.712 177.570 176.870 -0.021 0.000 1.004 453 L CA -0.521 54.299 54.840 -0.034 0.000 0.881 453 L CB 1.702 43.722 42.059 -0.066 0.000 1.219 453 L HN -0.194 nan 8.230 nan 0.000 0.441 454 R N 1.756 122.256 120.500 -0.000 0.000 2.470 454 R HA 0.426 4.774 4.340 0.013 0.000 0.210 454 R C 0.159 176.475 176.300 0.027 0.000 0.873 454 R CA 0.198 56.304 56.100 0.009 0.000 1.015 454 R CB 1.095 31.401 30.300 0.011 0.000 1.348 454 R HN 0.392 nan 8.270 nan 0.000 0.650 455 L N 0.873 122.120 121.223 0.039 0.000 2.332 455 L HA 0.342 4.690 4.340 0.013 0.000 0.269 455 L C 1.670 178.602 176.870 0.104 0.000 1.016 455 L CA -0.476 54.404 54.840 0.066 0.000 0.809 455 L CB 1.706 43.805 42.059 0.066 0.000 1.280 455 L HN 0.050 nan 8.230 nan 0.000 0.447 456 E N 0.298 120.589 120.200 0.150 0.000 2.338 456 E HA -0.182 4.176 4.350 0.013 0.000 0.197 456 E C 0.977 177.752 176.600 0.292 0.000 1.007 456 E CA 1.108 57.662 56.400 0.256 0.000 0.849 456 E CB 0.453 30.311 29.700 0.265 0.000 0.774 456 E HN 0.639 nan 8.360 nan 0.000 0.506 457 E N 0.665 120.996 120.200 0.218 0.000 2.230 457 E HA -0.099 4.259 4.350 0.013 0.000 0.192 457 E C 1.461 178.123 176.600 0.103 0.000 0.987 457 E CA 0.859 57.364 56.400 0.175 0.000 0.841 457 E CB 0.060 29.848 29.700 0.146 0.000 0.783 457 E HN 0.267 nan 8.360 nan 0.000 0.481 458 D N 0.012 120.460 120.400 0.081 0.000 2.097 458 D HA -0.138 4.509 4.640 0.013 0.000 0.195 458 D C 1.701 178.011 176.300 0.016 0.000 0.989 458 D CA 0.775 54.797 54.000 0.037 0.000 0.827 458 D CB -0.058 40.754 40.800 0.020 0.000 0.966 458 D HN 0.084 nan 8.370 nan 0.000 0.456 459 L N 0.791 122.023 121.223 0.016 0.000 1.994 459 L HA -0.120 4.227 4.340 0.013 0.000 0.208 459 L C 2.635 179.487 176.870 -0.029 0.000 1.071 459 L CA 1.036 55.822 54.840 -0.090 0.000 0.745 459 L CB -1.420 40.530 42.059 -0.183 0.000 0.892 459 L HN -0.004 nan 8.230 nan 0.000 0.431 460 V N -0.384 119.619 119.914 0.149 0.000 2.469 460 V HA -0.321 3.807 4.120 0.013 0.000 0.251 460 V C 2.477 178.614 176.094 0.071 0.000 1.064 460 V CA 2.272 64.673 62.300 0.168 0.000 1.066 460 V CB -0.366 31.506 31.823 0.081 0.000 0.667 460 V HN 0.684 nan 8.190 nan 0.000 0.461 461 E N -0.587 119.640 120.200 0.045 0.000 2.085 461 E HA -0.259 4.098 4.350 0.013 0.000 0.194 461 E C 2.130 178.768 176.600 0.063 0.000 0.994 461 E CA 1.544 57.979 56.400 0.058 0.000 0.801 461 E CB -0.185 29.548 29.700 0.055 0.000 0.743 461 E HN 0.694 nan 8.360 nan 0.000 0.453 462 E N 0.203 120.405 120.200 0.003 0.000 2.209 462 E HA -0.155 4.203 4.350 0.013 0.000 0.196 462 E C 2.175 178.757 176.600 -0.030 0.000 0.993 462 E CA 0.831 57.213 56.400 -0.031 0.000 0.819 462 E CB -0.075 29.567 29.700 -0.096 0.000 0.745 462 E HN 0.249 nan 8.360 nan 0.000 0.477 463 V N 1.297 121.204 119.914 -0.012 0.000 2.302 463 V HA -0.166 3.961 4.120 0.013 0.000 0.243 463 V C 2.448 178.545 176.094 0.005 0.000 1.036 463 V CA 1.494 63.776 62.300 -0.030 0.000 1.020 463 V CB -0.929 30.924 31.823 0.051 0.000 0.657 463 V HN 0.233 nan 8.190 nan 0.000 0.453 464 A N 1.707 124.605 122.820 0.130 0.000 1.896 464 A HA -0.323 4.004 4.320 0.013 0.000 0.220 464 A C 2.339 180.102 177.584 0.297 0.000 1.206 464 A CA 2.836 55.005 52.037 0.220 0.000 0.647 464 A CB -0.657 18.407 19.000 0.107 0.000 0.828 464 A HN 0.701 nan 8.150 nan 0.000 0.455 465 R N -0.975 119.691 120.500 0.277 0.000 2.062 465 R HA -0.035 4.312 4.340 0.013 0.000 0.231 465 R C 1.718 178.035 176.300 0.029 0.000 1.136 465 R CA 1.618 57.790 56.100 0.119 0.000 0.948 465 R CB -0.750 29.557 30.300 0.012 0.000 0.845 465 R HN 0.379 nan 8.270 nan 0.000 0.430 466 I N 1.648 122.215 120.570 -0.004 0.000 2.614 466 I HA -0.106 4.072 4.170 0.013 0.000 0.258 466 I C 1.954 178.028 176.117 -0.071 0.000 1.189 466 I CA 1.196 62.473 61.300 -0.039 0.000 1.462 466 I CB -0.834 37.125 38.000 -0.067 0.000 1.092 466 I HN 0.301 nan 8.210 nan 0.000 0.442 467 E N 0.502 120.642 120.200 -0.100 0.000 2.340 467 E HA 0.194 4.551 4.350 0.013 0.000 0.194 467 E C 0.787 177.370 176.600 -0.028 0.000 0.996 467 E CA 0.537 56.821 56.400 -0.192 0.000 0.869 467 E CB 0.490 29.844 29.700 -0.577 0.000 0.835 467 E HN 0.413 nan 8.360 nan 0.000 0.493 468 G N 0.922 109.766 108.800 0.072 0.000 3.439 468 G HA2 -0.227 3.741 3.960 0.013 0.000 0.686 468 G HA3 -0.227 3.741 3.960 0.013 0.000 0.686 468 G C 0.132 175.190 174.900 0.264 0.000 1.075 468 G CA -0.286 44.893 45.100 0.131 0.000 0.926 468 G HN 0.245 nan 8.290 nan 0.000 0.485 469 Y N 0.771 121.095 120.300 0.040 0.000 2.298 469 Y HA -0.243 4.315 4.550 0.013 0.000 0.287 469 Y C 2.662 178.590 175.900 0.046 0.000 1.164 469 Y CA 1.630 59.756 58.100 0.044 0.000 1.229 469 Y CB 0.148 38.619 38.460 0.018 0.000 0.977 469 Y HN 0.855 nan 8.280 nan 0.000 0.538 470 E N -0.528 119.794 120.200 0.204 0.000 2.515 470 E HA -0.125 4.233 4.350 0.013 0.000 0.201 470 E C 1.467 178.132 176.600 0.108 0.000 1.071 470 E CA 1.348 57.822 56.400 0.124 0.000 0.880 470 E CB -0.547 29.206 29.700 0.088 0.000 0.828 470 E HN 0.388 nan 8.360 nan 0.000 0.540 471 T N -1.918 112.723 114.554 0.146 0.000 3.040 471 T HA 0.228 4.586 4.350 0.013 0.000 0.250 471 T C 0.675 175.443 174.700 0.113 0.000 1.058 471 T CA -0.437 61.757 62.100 0.156 0.000 0.988 471 T CB -0.213 68.809 68.868 0.257 0.000 0.993 471 T HN 0.066 nan 8.240 nan 0.000 0.519 472 I N 4.684 125.299 120.570 0.075 0.000 2.452 472 I HA 0.272 4.450 4.170 0.013 0.000 0.287 472 I C -1.755 174.345 176.117 -0.029 0.000 1.079 472 I CA -2.252 59.031 61.300 -0.029 0.000 1.387 472 I CB 0.840 38.797 38.000 -0.072 0.000 1.404 472 I HN 0.153 nan 8.210 nan 0.000 0.522 473 P HA 0.206 nan 4.420 nan 0.000 0.274 473 P C -0.866 176.411 177.300 -0.038 0.000 1.246 473 P CA -0.568 62.509 63.100 -0.039 0.000 0.795 473 P CB 1.123 32.792 31.700 -0.051 0.000 1.006 474 L N 0.868 122.075 121.223 -0.026 0.000 2.375 474 L HA 0.648 4.996 4.340 0.013 0.000 0.271 474 L C 0.681 177.535 176.870 -0.028 0.000 1.107 474 L CA 0.181 55.007 54.840 -0.024 0.000 0.806 474 L CB 0.358 42.407 42.059 -0.015 0.000 1.146 474 L HN 0.702 nan 8.230 nan 0.000 0.447 475 A N 2.961 125.765 122.820 -0.027 0.000 2.564 475 A HA 0.838 5.166 4.320 0.013 0.000 0.291 475 A C -1.888 175.682 177.584 -0.023 0.000 1.102 475 A CA -0.540 51.482 52.037 -0.026 0.000 0.660 475 A CB 1.142 20.125 19.000 -0.028 0.000 1.283 475 A HN 0.482 nan 8.150 nan 0.000 0.430 476 L N 2.001 123.209 121.223 -0.024 0.000 2.438 476 L HA 0.531 4.879 4.340 0.013 0.000 0.270 476 L C -2.109 174.748 176.870 -0.022 0.000 0.972 476 L CA -1.412 53.410 54.840 -0.029 0.000 0.831 476 L CB 2.250 44.282 42.059 -0.045 0.000 1.273 476 L HN 0.766 nan 8.230 nan 0.000 0.405 477 P HA 0.495 nan 4.420 nan 0.000 0.279 477 P C -1.238 176.036 177.300 -0.043 0.000 1.239 477 P CA -0.371 62.764 63.100 0.058 0.000 0.789 477 P CB 1.971 33.782 31.700 0.184 0.000 0.933 478 A N 3.290 126.109 122.820 -0.002 0.000 2.353 478 A HA 0.764 5.092 4.320 0.013 0.000 0.299 478 A C -0.860 176.701 177.584 -0.037 0.000 1.089 478 A CA -0.582 51.358 52.037 -0.161 0.000 0.736 478 A CB 0.603 19.526 19.000 -0.127 0.000 1.195 478 A HN 0.588 nan 8.150 nan 0.000 0.447 479 F N -0.524 119.328 119.950 -0.164 0.000 2.770 479 F HA 0.756 5.290 4.527 0.013 0.000 0.313 479 F C -1.905 173.776 175.800 -0.197 0.000 1.154 479 F CA -2.056 55.874 58.000 -0.116 0.000 0.923 479 F CB 0.595 39.595 39.000 0.001 0.000 1.301 479 F HN 0.287 nan 8.300 nan 0.000 0.449 480 F N 3.077 123.194 119.950 0.278 0.000 2.411 480 F HA 0.576 5.111 4.527 0.013 0.000 0.355 480 F C -1.896 174.086 175.800 0.304 0.000 1.117 480 F CA -2.045 56.060 58.000 0.174 0.000 1.139 480 F CB 0.413 39.471 39.000 0.096 0.000 1.120 480 F HN 0.255 nan 8.300 nan 0.000 0.493 481 P HA 0.202 nan 4.420 nan 0.000 0.271 481 P C -0.560 176.864 177.300 0.205 0.000 1.218 481 P CA -0.401 62.906 63.100 0.345 0.000 0.780 481 P CB 0.851 32.707 31.700 0.261 0.000 0.901 482 A N 4.961 127.858 122.820 0.128 0.000 2.555 482 A HA 0.130 4.458 4.320 0.013 0.000 0.233 482 A C -0.747 176.879 177.584 0.071 0.000 1.060 482 A CA -0.723 51.358 52.037 0.073 0.000 0.759 482 A CB -0.960 18.059 19.000 0.032 0.000 0.995 482 A HN 0.494 nan 8.150 nan 0.000 0.506 483 P HA -0.192 nan 4.420 nan 0.000 0.218 483 P C 0.456 177.777 177.300 0.037 0.000 1.148 483 P CA 1.628 64.754 63.100 0.043 0.000 0.822 483 P CB -0.188 31.529 31.700 0.028 0.000 0.784 484 D N -1.099 119.319 120.400 0.030 0.000 2.358 484 D HA -0.073 4.575 4.640 0.013 0.000 0.241 484 D C 0.890 177.207 176.300 0.029 0.000 1.094 484 D CA 0.228 54.243 54.000 0.025 0.000 0.907 484 D CB -1.046 39.765 40.800 0.018 0.000 0.893 484 D HN 0.147 nan 8.370 nan 0.000 0.528 485 N N 0.068 118.792 118.700 0.040 0.000 2.197 485 N HA 0.025 4.773 4.740 0.013 0.000 0.201 485 N C 0.120 175.655 175.510 0.042 0.000 1.148 485 N CA -0.285 52.791 53.050 0.043 0.000 0.883 485 N CB 0.647 39.171 38.487 0.061 0.000 1.012 485 N HN 0.059 nan 8.380 nan 0.000 0.507 486 R N 1.228 121.752 120.500 0.042 0.000 2.537 486 R HA 0.184 4.532 4.340 0.013 0.000 0.280 486 R C 0.948 177.265 176.300 0.029 0.000 1.058 486 R CA 0.294 56.416 56.100 0.037 0.000 1.057 486 R CB 0.204 30.527 30.300 0.037 0.000 0.973 486 R HN 0.172 nan 8.270 nan 0.000 0.438 487 A N 1.969 124.804 122.820 0.025 0.000 2.945 487 A HA -0.201 4.127 4.320 0.013 0.000 0.263 487 A C 1.432 179.031 177.584 0.026 0.000 1.293 487 A CA 1.169 53.220 52.037 0.023 0.000 0.944 487 A CB -1.964 17.049 19.000 0.022 0.000 1.093 487 A HN 0.482 nan 8.150 nan 0.000 0.786 488 V N 0.370 120.298 119.914 0.025 0.000 2.688 488 V HA -0.239 3.889 4.120 0.013 0.000 0.256 488 V C 1.985 178.098 176.094 0.032 0.000 1.084 488 V CA 2.403 64.718 62.300 0.026 0.000 1.103 488 V CB -0.784 31.052 31.823 0.022 0.000 0.688 488 V HN 0.984 nan 8.190 nan 0.000 0.480 489 E N 0.358 120.575 120.200 0.029 0.000 2.368 489 E HA 0.331 4.689 4.350 0.013 0.000 0.188 489 E C 1.659 178.308 176.600 0.082 0.000 1.061 489 E CA 0.591 57.019 56.400 0.046 0.000 0.933 489 E CB 0.168 29.869 29.700 0.002 0.000 1.091 489 E HN 0.451 nan 8.360 nan 0.000 0.458 490 A N 2.419 125.275 122.820 0.061 0.000 1.840 490 A HA 0.014 4.342 4.320 0.013 0.000 0.214 490 A C -0.109 177.514 177.584 0.064 0.000 1.198 490 A CA 0.714 52.783 52.037 0.053 0.000 0.608 490 A CB -1.359 17.661 19.000 0.033 0.000 0.839 490 A HN 0.248 nan 8.150 nan 0.000 0.443 491 P HA -0.230 nan 4.420 nan 0.000 0.218 491 P C 1.260 178.596 177.300 0.061 0.000 1.152 491 P CA 1.620 64.749 63.100 0.048 0.000 0.857 491 P CB -0.139 31.593 31.700 0.053 0.000 0.787 492 Y N 0.071 120.365 120.300 -0.010 0.000 2.153 492 Y HA -0.088 4.470 4.550 0.013 0.000 0.289 492 Y C 2.407 178.300 175.900 -0.012 0.000 1.119 492 Y CA 1.404 59.498 58.100 -0.010 0.000 1.116 492 Y CB -0.312 38.145 38.460 -0.005 0.000 1.004 492 Y HN -0.287 nan 8.280 nan 0.000 0.501 493 R N 0.477 121.119 120.500 0.236 0.000 2.170 493 R HA -0.205 4.142 4.340 0.013 0.000 0.242 493 R C 2.258 178.563 176.300 0.008 0.000 1.145 493 R CA 1.638 57.815 56.100 0.128 0.000 0.984 493 R CB -0.266 30.093 30.300 0.098 0.000 0.869 493 R HN 0.337 nan 8.270 nan 0.000 0.455 494 K N 1.339 121.732 120.400 -0.012 0.000 1.973 494 K HA -0.225 4.103 4.320 0.013 0.000 0.212 494 K C 2.086 178.623 176.600 -0.104 0.000 1.047 494 K CA 1.758 58.013 56.287 -0.053 0.000 0.937 494 K CB -0.079 32.395 32.500 -0.045 0.000 0.721 494 K HN 0.113 nan 8.250 nan 0.000 0.440 495 E N 0.112 120.229 120.200 -0.139 0.000 2.085 495 E HA -0.305 4.052 4.350 0.013 0.000 0.194 495 E C 2.161 178.651 176.600 -0.184 0.000 0.994 495 E CA 1.528 57.823 56.400 -0.174 0.000 0.801 495 E CB -0.025 29.549 29.700 -0.210 0.000 0.743 495 E HN 0.238 nan 8.360 nan 0.000 0.453 496 Q N 1.032 120.695 119.800 -0.228 0.000 2.002 496 Q HA -0.207 4.141 4.340 0.013 0.000 0.204 496 Q C 2.190 178.135 176.000 -0.091 0.000 0.988 496 Q CA 1.783 57.490 55.803 -0.162 0.000 0.843 496 Q CB -0.411 28.253 28.738 -0.123 0.000 0.908 496 Q HN 0.104 nan 8.270 nan 0.000 0.420 497 R N -0.007 120.446 120.500 -0.078 0.000 2.112 497 R HA -0.202 4.146 4.340 0.013 0.000 0.242 497 R C 2.187 178.416 176.300 -0.117 0.000 1.137 497 R CA 1.766 57.821 56.100 -0.075 0.000 0.944 497 R CB -1.186 29.072 30.300 -0.070 0.000 0.857 497 R HN 0.437 nan 8.270 nan 0.000 0.435 498 L N 1.605 122.735 121.223 -0.153 0.000 1.987 498 L HA -0.302 4.046 4.340 0.013 0.000 0.230 498 L C 2.502 179.223 176.870 -0.249 0.000 1.089 498 L CA 2.225 56.932 54.840 -0.221 0.000 0.802 498 L CB -0.844 41.080 42.059 -0.225 0.000 0.905 498 L HN 0.187 nan 8.230 nan 0.000 0.441 499 R N -0.355 120.036 120.500 -0.182 0.000 2.136 499 R HA -0.251 4.097 4.340 0.013 0.000 0.242 499 R C 2.067 178.294 176.300 -0.122 0.000 1.131 499 R CA 2.176 58.196 56.100 -0.133 0.000 0.937 499 R CB -0.904 29.455 30.300 0.099 0.000 0.863 499 R HN 0.617 nan 8.270 nan 0.000 0.435 500 E N 0.263 120.428 120.200 -0.059 0.000 2.114 500 E HA -0.210 4.147 4.350 0.013 0.000 0.199 500 E C 2.102 178.661 176.600 -0.069 0.000 1.008 500 E CA 1.664 58.044 56.400 -0.034 0.000 0.810 500 E CB -0.168 29.518 29.700 -0.024 0.000 0.739 500 E HN 0.155 nan 8.360 nan 0.000 0.456 501 V N 1.164 121.000 119.914 -0.129 0.000 2.358 501 V HA -0.238 3.889 4.120 0.013 0.000 0.246 501 V C 2.282 178.278 176.094 -0.163 0.000 1.047 501 V CA 1.388 63.603 62.300 -0.141 0.000 1.035 501 V CB -0.371 31.341 31.823 -0.185 0.000 0.658 501 V HN 0.218 nan 8.190 nan 0.000 0.452 502 L N 0.801 121.840 121.223 -0.306 0.000 1.970 502 L HA -0.201 4.147 4.340 0.013 0.000 0.212 502 L C 2.738 179.565 176.870 -0.073 0.000 1.071 502 L CA 2.116 56.709 54.840 -0.411 0.000 0.751 502 L CB -0.920 40.523 42.059 -1.027 0.000 0.889 502 L HN 0.536 nan 8.230 nan 0.000 0.432 503 S N -0.232 115.449 115.700 -0.032 0.000 2.462 503 S HA -0.156 4.322 4.470 0.013 0.000 0.243 503 S C 1.903 176.574 174.600 0.118 0.000 1.003 503 S CA 0.945 59.231 58.200 0.142 0.000 0.970 503 S CB -1.202 62.083 63.200 0.141 0.000 0.762 503 S HN 0.497 nan 8.310 nan 0.000 0.510 504 G N 2.525 111.363 108.800 0.062 0.000 2.616 504 G HA2 -0.000 3.967 3.960 0.013 0.000 0.215 504 G HA3 -0.000 3.967 3.960 0.013 0.000 0.215 504 G C 1.347 176.315 174.900 0.113 0.000 1.284 504 G CA 0.802 45.937 45.100 0.059 0.000 0.823 504 G HN 0.464 nan 8.290 nan 0.000 0.569 505 L N 0.391 121.703 121.223 0.147 0.000 2.030 505 L HA -0.136 4.211 4.340 0.013 0.000 0.222 505 L C 2.339 179.401 176.870 0.319 0.000 1.082 505 L CA 1.889 56.870 54.840 0.234 0.000 0.785 505 L CB -0.540 41.753 42.059 0.391 0.000 0.895 505 L HN 0.595 nan 8.230 nan 0.000 0.439 506 G N -3.179 105.834 108.800 0.355 0.000 4.362 506 G HA2 -0.012 3.956 3.960 0.013 0.000 0.220 506 G HA3 -0.012 3.956 3.960 0.013 0.000 0.220 506 G C -0.156 174.813 174.900 0.115 0.000 0.795 506 G CA -0.698 44.520 45.100 0.196 0.000 0.920 506 G HN 0.030 nan 8.290 nan 0.000 0.715 507 F N 1.629 121.657 119.950 0.130 0.000 2.443 507 F HA 0.611 5.146 4.527 0.014 0.000 0.353 507 F C 0.740 176.709 175.800 0.281 0.000 1.101 507 F CA -0.467 57.654 58.000 0.202 0.000 1.226 507 F CB 1.416 40.572 39.000 0.260 0.000 1.140 507 F HN 0.023 nan 8.300 nan 0.000 0.557 508 Q N 3.205 123.225 119.800 0.367 0.000 2.303 508 Q HA 0.169 4.517 4.340 0.013 0.000 0.257 508 Q C -0.380 175.694 176.000 0.123 0.000 0.941 508 Q CA -0.377 55.554 55.803 0.214 0.000 0.931 508 Q CB 0.858 29.653 28.738 0.094 0.000 1.215 508 Q HN 0.660 nan 8.270 nan 0.000 0.437 509 E N 1.962 122.164 120.200 0.002 0.000 2.404 509 E HA 0.391 4.749 4.350 0.013 0.000 0.261 509 E C -1.197 175.217 176.600 -0.310 0.000 1.074 509 E CA -0.321 55.784 56.400 -0.491 0.000 0.917 509 E CB 0.713 30.261 29.700 -0.254 0.000 0.965 509 E HN 0.461 nan 8.360 nan 0.000 0.433 510 V N 3.813 123.523 119.914 -0.339 0.000 2.817 510 V HA 0.205 4.333 4.120 0.013 0.000 0.303 510 V C -1.582 174.574 176.094 0.105 0.000 1.151 510 V CA -0.797 61.439 62.300 -0.107 0.000 0.929 510 V CB 1.450 33.219 31.823 -0.089 0.000 1.030 510 V HN 0.578 nan 8.190 nan 0.000 0.427 511 Y N 1.956 122.179 120.300 -0.128 0.000 2.360 511 Y HA 0.775 5.332 4.550 0.013 0.000 0.337 511 Y C 0.581 176.451 175.900 -0.051 0.000 1.039 511 Y CA -1.115 56.922 58.100 -0.104 0.000 1.109 511 Y CB 2.302 40.704 38.460 -0.097 0.000 1.201 511 Y HN 0.558 nan 8.280 nan 0.000 0.458 512 T N 3.228 117.829 114.554 0.079 0.000 2.921 512 T HA 0.277 4.634 4.350 0.013 0.000 0.297 512 T C -1.173 173.576 174.700 0.082 0.000 1.013 512 T CA -0.844 61.319 62.100 0.105 0.000 0.990 512 T CB 0.438 69.340 68.868 0.056 0.000 1.023 512 T HN 0.189 nan 8.240 nan 0.000 0.447 513 Y N 1.857 122.142 120.300 -0.025 0.000 3.032 513 Y HA -0.130 4.427 4.550 0.013 0.000 0.344 513 Y C 2.134 177.936 175.900 -0.163 0.000 1.273 513 Y CA 0.509 58.555 58.100 -0.090 0.000 1.588 513 Y CB 0.025 38.522 38.460 0.061 0.000 1.209 513 Y HN 0.711 nan 8.280 nan 0.000 0.597 514 S N 2.381 117.932 115.700 -0.249 0.000 2.469 514 S HA -0.096 4.382 4.470 0.013 0.000 0.238 514 S C 0.346 174.878 174.600 -0.113 0.000 0.998 514 S CA 0.319 58.414 58.200 -0.175 0.000 0.957 514 S CB -0.490 62.569 63.200 -0.234 0.000 0.764 514 S HN 0.442 nan 8.310 nan 0.000 0.514 515 F N 1.246 121.261 119.950 0.108 0.000 2.496 515 F HA 0.344 4.878 4.527 0.013 0.000 0.344 515 F C 0.377 176.190 175.800 0.021 0.000 1.155 515 F CA -0.361 57.672 58.000 0.054 0.000 1.302 515 F CB 0.364 39.408 39.000 0.074 0.000 1.159 515 F HN 0.082 nan 8.300 nan 0.000 0.595 516 M N 1.908 121.633 119.600 0.208 0.000 2.446 516 M HA 0.292 4.779 4.480 0.013 0.000 0.294 516 M C -1.920 174.405 176.300 0.041 0.000 1.158 516 M CA -0.802 54.542 55.300 0.072 0.000 0.899 516 M CB 2.039 34.660 32.600 0.036 0.000 1.687 516 M HN 0.586 nan 8.290 nan 0.000 0.455 517 D N 4.975 125.379 120.400 0.007 0.000 2.316 517 D HA 0.346 4.994 4.640 0.013 0.000 0.245 517 D C -1.980 174.328 176.300 0.014 0.000 1.171 517 D CA -1.609 52.395 54.000 0.007 0.000 0.856 517 D CB 1.568 42.374 40.800 0.011 0.000 1.090 517 D HN 0.287 nan 8.370 nan 0.000 0.476 518 P HA -0.217 nan 4.420 nan 0.000 0.218 518 P C 0.898 178.218 177.300 0.034 0.000 1.150 518 P CA 0.966 64.079 63.100 0.022 0.000 0.841 518 P CB 0.307 32.015 31.700 0.014 0.000 0.784 519 E N -0.147 120.075 120.200 0.037 0.000 2.047 519 E HA -0.180 4.178 4.350 0.013 0.000 0.191 519 E C 1.561 178.218 176.600 0.094 0.000 0.987 519 E CA 1.327 57.758 56.400 0.052 0.000 0.799 519 E CB -1.072 28.655 29.700 0.045 0.000 0.752 519 E HN 0.140 nan 8.360 nan 0.000 0.449 520 D N -0.013 120.458 120.400 0.118 0.000 2.322 520 D HA -0.197 4.450 4.640 0.013 0.000 0.210 520 D C 1.528 177.944 176.300 0.193 0.000 0.983 520 D CA 1.083 55.221 54.000 0.230 0.000 0.902 520 D CB -0.258 40.564 40.800 0.037 0.000 0.905 520 D HN 0.330 nan 8.370 nan 0.000 0.483 521 A N 0.577 123.455 122.820 0.096 0.000 1.933 521 A HA -0.188 4.140 4.320 0.013 0.000 0.218 521 A C 2.213 179.864 177.584 0.111 0.000 1.175 521 A CA 1.297 53.384 52.037 0.083 0.000 0.628 521 A CB -0.266 18.771 19.000 0.062 0.000 0.814 521 A HN 0.129 nan 8.150 nan 0.000 0.444 522 R N -0.930 119.631 120.500 0.102 0.000 2.105 522 R HA 0.064 4.411 4.340 0.013 0.000 0.214 522 R C 2.184 178.532 176.300 0.080 0.000 1.091 522 R CA 0.358 56.503 56.100 0.075 0.000 1.007 522 R CB -0.219 30.106 30.300 0.042 0.000 0.912 522 R HN 0.412 nan 8.270 nan 0.000 0.450 523 R N -0.439 120.128 120.500 0.112 0.000 2.170 523 R HA -0.140 4.207 4.340 0.013 0.000 0.242 523 R C 0.802 177.036 176.300 -0.111 0.000 1.145 523 R CA 1.274 57.386 56.100 0.020 0.000 0.984 523 R CB -0.052 30.294 30.300 0.077 0.000 0.869 523 R HN 0.235 nan 8.270 nan 0.000 0.455 524 F N -0.511 119.462 119.950 0.038 0.000 2.729 524 F HA 0.310 4.845 4.527 0.013 0.000 0.315 524 F C 0.019 175.916 175.800 0.161 0.000 1.102 524 F CA -0.600 57.466 58.000 0.110 0.000 1.204 524 F CB 0.386 39.444 39.000 0.096 0.000 1.052 524 F HN -0.236 nan 8.300 nan 0.000 0.551 525 R N 1.391 122.030 120.500 0.231 0.000 2.994 525 R HA -0.138 4.209 4.340 0.013 0.000 0.267 525 R C -1.303 175.146 176.300 0.249 0.000 0.914 525 R CA 0.237 56.442 56.100 0.175 0.000 0.668 525 R CB -2.037 28.324 30.300 0.102 0.000 1.524 525 R HN 0.299 nan 8.270 nan 0.000 0.478 526 L N 0.130 121.462 121.223 0.182 0.000 2.322 526 L HA 0.520 4.868 4.340 0.013 0.000 0.252 526 L C -0.138 176.818 176.870 0.144 0.000 1.055 526 L CA -1.389 53.552 54.840 0.168 0.000 0.849 526 L CB 1.648 43.718 42.059 0.017 0.000 1.446 526 L HN 0.022 nan 8.230 nan 0.000 0.416 527 D N 1.657 122.162 120.400 0.174 0.000 2.302 527 D HA 0.284 4.932 4.640 0.013 0.000 0.248 527 D C -2.194 174.174 176.300 0.113 0.000 1.094 527 D CA -0.883 53.198 54.000 0.134 0.000 0.897 527 D CB 0.370 41.255 40.800 0.143 0.000 1.200 527 D HN 0.210 nan 8.370 nan 0.000 0.429 528 P HA 0.121 nan 4.420 nan 0.000 0.268 528 P C -2.523 174.820 177.300 0.072 0.000 1.208 528 P CA -0.869 62.272 63.100 0.068 0.000 0.777 528 P CB -0.371 31.360 31.700 0.053 0.000 0.875 529 P HA 0.190 nan 4.420 nan 0.000 0.269 529 P C 0.903 178.234 177.300 0.053 0.000 1.209 529 P CA -0.092 63.046 63.100 0.063 0.000 0.776 529 P CB 0.512 32.243 31.700 0.052 0.000 0.876 530 R N 2.472 123.007 120.500 0.057 0.000 2.156 530 R HA 0.166 4.514 4.340 0.013 0.000 0.207 530 R C 0.095 176.415 176.300 0.034 0.000 1.040 530 R CA 0.456 56.584 56.100 0.047 0.000 1.013 530 R CB 0.095 30.427 30.300 0.054 0.000 0.931 530 R HN 0.395 nan 8.270 nan 0.000 0.465 531 L N 2.753 123.995 121.223 0.032 0.000 2.272 531 L HA 0.409 4.757 4.340 0.013 0.000 0.289 531 L C -0.631 176.234 176.870 -0.008 0.000 1.032 531 L CA -0.551 54.289 54.840 -0.000 0.000 0.810 531 L CB 1.711 43.751 42.059 -0.031 0.000 1.205 531 L HN 0.115 nan 8.230 nan 0.000 0.422 532 L N 3.030 124.248 121.223 -0.009 0.000 2.216 532 L HA 0.638 4.985 4.340 0.013 0.000 0.260 532 L C -0.910 175.952 176.870 -0.013 0.000 1.036 532 L CA -0.986 53.851 54.840 -0.005 0.000 0.914 532 L CB 1.524 43.583 42.059 0.000 0.000 1.501 532 L HN 0.277 nan 8.230 nan 0.000 0.485 533 L N -0.011 121.204 121.223 -0.013 0.000 2.319 533 L HA 0.424 4.772 4.340 0.013 0.000 0.267 533 L C 0.192 177.050 176.870 -0.020 0.000 1.011 533 L CA 0.034 54.864 54.840 -0.017 0.000 0.818 533 L CB 1.710 43.756 42.059 -0.022 0.000 1.316 533 L HN 0.397 nan 8.230 nan 0.000 0.432 534 L N 1.750 122.963 121.223 -0.017 0.000 2.693 534 L HA 0.283 4.631 4.340 0.013 0.000 0.235 534 L C -0.200 176.658 176.870 -0.020 0.000 1.127 534 L CA 0.170 55.000 54.840 -0.016 0.000 0.914 534 L CB -0.094 41.960 42.059 -0.009 0.000 1.193 534 L HN 0.791 nan 8.230 nan 0.000 0.502 535 N N -1.596 117.086 118.700 -0.029 0.000 2.609 535 N HA 0.183 4.931 4.740 0.013 0.000 0.251 535 N C -2.856 172.614 175.510 -0.067 0.000 1.526 535 N CA -0.842 52.185 53.050 -0.037 0.000 0.931 535 N CB -0.567 37.907 38.487 -0.022 0.000 1.460 535 N HN -0.157 nan 8.380 nan 0.000 0.526 536 P HA 0.184 nan 4.420 nan 0.000 0.265 536 P C 1.330 178.519 177.300 -0.185 0.000 1.193 536 P CA -0.347 62.648 63.100 -0.174 0.000 0.765 536 P CB 1.139 32.747 31.700 -0.153 0.000 0.823 537 L N 1.276 122.329 121.223 -0.284 0.000 2.189 537 L HA -0.061 4.287 4.340 0.013 0.000 0.214 537 L C 0.966 177.734 176.870 -0.170 0.000 1.097 537 L CA 1.456 56.165 54.840 -0.219 0.000 0.764 537 L CB -0.421 41.467 42.059 -0.285 0.000 0.900 537 L HN 0.462 nan 8.230 nan 0.000 0.436 538 A N -2.424 120.281 122.820 -0.192 0.000 2.583 538 A HA 0.402 4.730 4.320 0.013 0.000 0.298 538 A C -2.145 175.361 177.584 -0.130 0.000 1.055 538 A CA -0.796 51.161 52.037 -0.133 0.000 0.714 538 A CB 0.433 19.360 19.000 -0.123 0.000 1.277 538 A HN -0.194 nan 8.150 nan 0.000 0.406 539 P HA -0.243 nan 4.420 nan 0.000 0.217 539 P C 0.780 178.039 177.300 -0.068 0.000 1.148 539 P CA 1.899 64.957 63.100 -0.069 0.000 0.834 539 P CB 0.276 31.949 31.700 -0.046 0.000 0.783 540 E N 0.584 120.740 120.200 -0.074 0.000 2.118 540 E HA -0.136 4.222 4.350 0.013 0.000 0.195 540 E C 1.108 177.665 176.600 -0.072 0.000 0.992 540 E CA 1.245 57.608 56.400 -0.061 0.000 0.804 540 E CB -0.585 29.076 29.700 -0.065 0.000 0.741 540 E HN 0.435 nan 8.360 nan 0.000 0.458 541 K N -0.133 120.179 120.400 -0.148 0.000 2.965 541 K HA 0.410 4.738 4.320 0.013 0.000 0.216 541 K C 0.574 177.018 176.600 -0.259 0.000 1.164 541 K CA 0.116 56.260 56.287 -0.238 0.000 1.153 541 K CB 1.115 33.275 32.500 -0.568 0.000 1.045 541 K HN 0.026 nan 8.250 nan 0.000 0.460 542 A N 0.703 123.456 122.820 -0.111 0.000 1.975 542 A HA 0.265 4.593 4.320 0.013 0.000 0.215 542 A C 1.115 178.687 177.584 -0.020 0.000 1.170 542 A CA 0.774 52.763 52.037 -0.080 0.000 0.656 542 A CB 0.177 19.146 19.000 -0.052 0.000 0.821 542 A HN 0.412 nan 8.150 nan 0.000 0.449 543 A N -1.117 121.719 122.820 0.026 0.000 2.392 543 A HA 0.758 5.085 4.320 0.013 0.000 0.283 543 A C -0.744 176.899 177.584 0.099 0.000 1.197 543 A CA -0.609 51.457 52.037 0.048 0.000 0.895 543 A CB 0.585 19.606 19.000 0.035 0.000 1.400 543 A HN 0.257 nan 8.150 nan 0.000 0.461 544 L N 1.561 122.811 121.223 0.046 0.000 2.287 544 L HA 0.398 4.746 4.340 0.013 0.000 0.287 544 L C 0.627 177.572 176.870 0.126 0.000 1.022 544 L CA -0.781 54.072 54.840 0.022 0.000 0.814 544 L CB 1.298 43.216 42.059 -0.235 0.000 1.217 544 L HN 0.930 nan 8.230 nan 0.000 0.420 545 R N 0.657 121.247 120.500 0.150 0.000 2.538 545 R HA -0.047 4.301 4.340 0.013 0.000 0.273 545 R C 0.474 176.825 176.300 0.086 0.000 0.967 545 R CA 0.708 56.864 56.100 0.093 0.000 1.101 545 R CB -0.135 30.189 30.300 0.040 0.000 0.908 545 R HN 0.758 nan 8.270 nan 0.000 0.411 546 T N -1.416 113.156 114.554 0.031 0.000 3.044 546 T HA 0.188 4.545 4.350 0.013 0.000 0.260 546 T C -0.282 174.272 174.700 -0.242 0.000 1.019 546 T CA -0.252 61.832 62.100 -0.028 0.000 0.921 546 T CB -0.015 68.919 68.868 0.110 0.000 1.053 546 T HN 0.814 nan 8.240 nan 0.000 0.533 547 H N -1.341 117.593 119.070 -0.226 0.000 3.017 547 H HA 0.591 5.155 4.556 0.013 0.000 0.346 547 H C -0.359 174.793 175.328 -0.293 0.000 1.286 547 H CA -0.944 54.944 56.048 -0.267 0.000 1.120 547 H CB 1.305 30.777 29.762 -0.483 0.000 1.860 547 H HN -0.096 nan 8.280 nan 0.000 0.542 548 L N 0.713 121.903 121.223 -0.056 0.000 2.463 548 L HA 0.090 4.438 4.340 0.013 0.000 0.219 548 L C 1.676 178.510 176.870 -0.059 0.000 1.088 548 L CA 0.734 55.533 54.840 -0.069 0.000 0.849 548 L CB -0.587 41.464 42.059 -0.014 0.000 1.012 548 L HN 0.671 nan 8.230 nan 0.000 0.468 549 F N -0.220 119.702 119.950 -0.047 0.000 2.128 549 F HA 0.079 4.614 4.527 0.014 0.000 0.295 549 F C -0.528 175.178 175.800 -0.157 0.000 1.100 549 F CA 0.236 58.188 58.000 -0.080 0.000 1.260 549 F CB -2.618 36.361 39.000 -0.035 0.000 1.009 549 F HN 0.042 nan 8.300 nan 0.000 0.476 550 P HA -0.171 nan 4.420 nan 0.000 0.218 550 P C 1.936 178.981 177.300 -0.425 0.000 1.154 550 P CA 2.754 65.274 63.100 -0.966 0.000 0.872 550 P CB -0.486 30.453 31.700 -1.269 0.000 0.790 551 G N -0.908 107.732 108.800 -0.267 0.000 2.404 551 G HA2 -0.184 3.784 3.960 0.013 0.000 0.214 551 G HA3 -0.184 3.784 3.960 0.013 0.000 0.214 551 G C 1.550 176.435 174.900 -0.024 0.000 1.189 551 G CA 0.262 45.296 45.100 -0.110 0.000 0.789 551 G HN 0.210 nan 8.290 nan 0.000 0.533 552 L N 0.335 121.558 121.223 0.001 0.000 2.021 552 L HA -0.174 4.174 4.340 0.013 0.000 0.215 552 L C 3.054 179.963 176.870 0.064 0.000 1.074 552 L CA 1.020 55.883 54.840 0.038 0.000 0.760 552 L CB -0.327 41.765 42.059 0.055 0.000 0.889 552 L HN 0.126 nan 8.230 nan 0.000 0.433 553 V N -0.583 119.400 119.914 0.114 0.000 2.295 553 V HA -0.303 3.825 4.120 0.013 0.000 0.246 553 V C 2.541 178.695 176.094 0.099 0.000 1.049 553 V CA 1.784 64.167 62.300 0.139 0.000 1.024 553 V CB -0.639 31.366 31.823 0.304 0.000 0.648 553 V HN 0.417 nan 8.190 nan 0.000 0.447 554 R N 0.138 120.699 120.500 0.102 0.000 2.091 554 R HA -0.157 4.190 4.340 0.013 0.000 0.238 554 R C 2.298 178.622 176.300 0.039 0.000 1.136 554 R CA 1.810 57.957 56.100 0.079 0.000 0.959 554 R CB -0.659 29.675 30.300 0.057 0.000 0.856 554 R HN 0.624 nan 8.270 nan 0.000 0.437 555 V N -0.362 119.571 119.914 0.031 0.000 2.867 555 V HA -0.141 3.987 4.120 0.013 0.000 0.260 555 V C 1.873 177.980 176.094 0.021 0.000 1.099 555 V CA 1.351 63.667 62.300 0.027 0.000 1.122 555 V CB -0.442 31.399 31.823 0.031 0.000 0.708 555 V HN 0.156 nan 8.190 nan 0.000 0.490 556 L N 0.808 122.038 121.223 0.011 0.000 1.993 556 L HA 0.032 4.380 4.340 0.013 0.000 0.206 556 L C 2.554 179.392 176.870 -0.054 0.000 1.074 556 L CA 2.565 57.389 54.840 -0.026 0.000 0.746 556 L CB -1.039 40.969 42.059 -0.086 0.000 0.896 556 L HN 0.368 nan 8.230 nan 0.000 0.435 557 K N -0.160 120.207 120.400 -0.055 0.000 2.032 557 K HA -0.296 4.032 4.320 0.013 0.000 0.218 557 K C 1.872 178.460 176.600 -0.021 0.000 1.054 557 K CA 2.522 58.779 56.287 -0.050 0.000 0.941 557 K CB -0.304 32.186 32.500 -0.016 0.000 0.720 557 K HN 0.537 nan 8.250 nan 0.000 0.449 558 E N 0.055 120.254 120.200 -0.002 0.000 2.171 558 E HA -0.207 4.151 4.350 0.013 0.000 0.197 558 E C 1.943 178.551 176.600 0.012 0.000 0.997 558 E CA 1.039 57.443 56.400 0.006 0.000 0.810 558 E CB -0.106 29.600 29.700 0.011 0.000 0.738 558 E HN 0.363 nan 8.360 nan 0.000 0.467 559 N N 0.891 119.601 118.700 0.017 0.000 2.081 559 N HA -0.068 4.680 4.740 0.013 0.000 0.191 559 N C 1.934 177.467 175.510 0.038 0.000 1.053 559 N CA 0.790 53.861 53.050 0.034 0.000 0.846 559 N CB -0.356 38.164 38.487 0.055 0.000 1.032 559 N HN 0.121 nan 8.380 nan 0.000 0.431 560 L N 1.121 122.366 121.223 0.036 0.000 2.456 560 L HA -0.206 4.142 4.340 0.013 0.000 0.225 560 L C 0.943 177.831 176.870 0.029 0.000 1.142 560 L CA 1.010 55.877 54.840 0.044 0.000 0.796 560 L CB -0.291 41.769 42.059 0.002 0.000 0.920 560 L HN 0.100 nan 8.230 nan 0.000 0.446 561 D N -1.269 119.141 120.400 0.017 0.000 2.338 561 D HA -0.014 4.634 4.640 0.013 0.000 0.208 561 D C 1.863 178.173 176.300 0.017 0.000 0.997 561 D CA 0.407 54.415 54.000 0.013 0.000 0.880 561 D CB 0.387 41.190 40.800 0.005 0.000 0.980 561 D HN 0.141 nan 8.370 nan 0.000 0.509 562 L N 0.033 121.268 121.223 0.020 0.000 2.253 562 L HA 0.214 4.561 4.340 0.013 0.000 0.205 562 L C -0.455 176.430 176.870 0.024 0.000 1.078 562 L CA 1.019 55.870 54.840 0.020 0.000 0.805 562 L CB 0.430 42.500 42.059 0.018 0.000 0.963 562 L HN -0.230 nan 8.230 nan 0.000 0.459 563 D N -1.124 119.296 120.400 0.032 0.000 2.579 563 D HA 0.411 5.059 4.640 0.013 0.000 0.257 563 D C -0.773 175.558 176.300 0.052 0.000 1.176 563 D CA -0.456 53.566 54.000 0.037 0.000 0.914 563 D CB 1.328 42.150 40.800 0.037 0.000 1.431 563 D HN -0.056 nan 8.370 nan 0.000 0.454 564 R N -0.984 119.551 120.500 0.058 0.000 3.057 564 R HA 0.425 4.773 4.340 0.013 0.000 0.291 564 R C -2.826 173.534 176.300 0.099 0.000 1.394 564 R CA -1.747 54.403 56.100 0.083 0.000 1.630 564 R CB -0.897 29.445 30.300 0.070 0.000 1.268 564 R HN -0.041 nan 8.270 nan 0.000 0.621 565 P HA -0.094 nan 4.420 nan 0.000 0.257 565 P C 0.258 177.596 177.300 0.063 0.000 1.162 565 P CA 0.464 63.623 63.100 0.097 0.000 0.762 565 P CB 0.745 32.537 31.700 0.154 0.000 0.753 566 E N 3.411 123.596 120.200 -0.025 0.000 2.268 566 E HA -0.122 4.235 4.350 0.013 0.000 0.195 566 E C 0.917 177.332 176.600 -0.309 0.000 0.995 566 E CA 1.221 57.564 56.400 -0.095 0.000 0.836 566 E CB -0.036 29.623 29.700 -0.067 0.000 0.763 566 E HN 0.612 nan 8.360 nan 0.000 0.491 567 R N -1.644 118.655 120.500 -0.335 0.000 2.728 567 R HA 0.722 5.070 4.340 0.013 0.000 0.274 567 R C -1.643 174.484 176.300 -0.289 0.000 1.030 567 R CA -0.744 55.028 56.100 -0.547 0.000 0.876 567 R CB 1.220 31.310 30.300 -0.351 0.000 1.259 567 R HN -0.080 nan 8.270 nan 0.000 0.468 568 A N 1.130 123.813 122.820 -0.229 0.000 2.547 568 A HA 0.486 4.813 4.320 0.013 0.000 0.300 568 A C -2.150 175.418 177.584 -0.025 0.000 1.061 568 A CA -0.646 51.378 52.037 -0.022 0.000 0.808 568 A CB 1.762 20.864 19.000 0.170 0.000 1.304 568 A HN 0.577 nan 8.150 nan 0.000 0.393 569 L N 3.620 124.778 121.223 -0.110 0.000 2.298 569 L HA 0.840 5.188 4.340 0.013 0.000 0.284 569 L C -1.111 175.711 176.870 -0.080 0.000 1.013 569 L CA -0.234 54.471 54.840 -0.224 0.000 0.824 569 L CB 0.643 42.370 42.059 -0.553 0.000 1.221 569 L HN 0.649 nan 8.230 nan 0.000 0.418 570 L N 4.812 126.079 121.223 0.072 0.000 2.283 570 L HA 0.731 5.079 4.340 0.013 0.000 0.259 570 L C -0.999 176.124 176.870 0.422 0.000 1.027 570 L CA -0.929 54.032 54.840 0.202 0.000 0.828 570 L CB 2.047 44.169 42.059 0.104 0.000 1.380 570 L HN 0.647 nan 8.230 nan 0.000 0.425 571 F N -0.105 119.969 119.950 0.206 0.000 2.678 571 F HA 0.726 5.260 4.527 0.012 0.000 0.308 571 F C -1.377 174.458 175.800 0.058 0.000 1.118 571 F CA -0.562 57.509 58.000 0.118 0.000 0.959 571 F CB 1.790 40.861 39.000 0.119 0.000 1.305 571 F HN 0.560 nan 8.300 nan 0.000 0.443 572 E N 2.883 123.011 120.200 -0.120 0.000 2.321 572 E HA 0.644 5.001 4.350 0.013 0.000 0.278 572 E C -2.323 174.291 176.600 0.024 0.000 0.902 572 E CA -0.900 55.355 56.400 -0.242 0.000 0.758 572 E CB 2.589 32.205 29.700 -0.140 0.000 1.213 572 E HN 0.703 nan 8.360 nan 0.000 0.426 573 V N 3.356 123.268 119.914 -0.003 0.000 2.378 573 V HA 0.853 4.981 4.120 0.013 0.000 0.288 573 V C 0.287 176.309 176.094 -0.120 0.000 1.016 573 V CA 0.128 62.444 62.300 0.026 0.000 0.840 573 V CB 1.147 33.028 31.823 0.096 0.000 0.994 573 V HN 0.755 nan 8.190 nan 0.000 0.431 574 G N 3.874 112.604 108.800 -0.116 0.000 2.649 574 G HA2 0.653 4.621 3.960 0.013 0.000 0.290 574 G HA3 0.653 4.621 3.960 0.013 0.000 0.290 574 G C -1.561 173.211 174.900 -0.213 0.000 1.426 574 G CA -1.089 43.897 45.100 -0.190 0.000 0.794 574 G HN 0.445 nan 8.290 nan 0.000 0.483 575 R N -0.461 119.870 120.500 -0.282 0.000 2.265 575 R HA 0.594 4.942 4.340 0.013 0.000 0.314 575 R C 0.070 175.899 176.300 -0.786 0.000 1.053 575 R CA -0.177 55.638 56.100 -0.475 0.000 0.931 575 R CB 1.228 31.269 30.300 -0.430 0.000 1.024 575 R HN 0.309 nan 8.270 nan 0.000 0.457 576 V N 4.384 123.770 119.914 -0.879 0.000 2.850 576 V HA 0.577 4.705 4.120 0.013 0.000 0.315 576 V C -0.571 174.846 176.094 -1.127 0.000 1.064 576 V CA -0.620 61.162 62.300 -0.863 0.000 0.979 576 V CB 1.406 32.743 31.823 -0.809 0.000 1.039 576 V HN 0.501 nan 8.190 nan 0.000 0.452 577 F N 1.901 121.749 119.950 -0.170 0.000 2.551 577 F HA 0.879 5.414 4.527 0.013 0.000 0.316 577 F C 0.021 175.771 175.800 -0.083 0.000 1.089 577 F CA -0.934 57.003 58.000 -0.105 0.000 0.915 577 F CB 1.909 40.867 39.000 -0.070 0.000 1.186 577 F HN 0.557 nan 8.300 nan 0.000 0.456 578 R N 1.832 122.387 120.500 0.091 0.000 4.163 578 R HA 0.200 4.548 4.340 0.013 0.000 0.311 578 R C -0.209 176.120 176.300 0.048 0.000 0.807 578 R CA -0.145 55.989 56.100 0.057 0.000 1.161 578 R CB -0.044 30.262 30.300 0.010 0.000 1.397 578 R HN 0.801 nan 8.270 nan 0.000 0.494 579 E N 1.882 122.118 120.200 0.060 0.000 5.150 579 E HA -0.347 4.011 4.350 0.013 0.000 0.167 579 E C -0.838 175.792 176.600 0.049 0.000 1.196 579 E CA 2.148 58.578 56.400 0.051 0.000 2.189 579 E CB -0.423 29.306 29.700 0.048 0.000 1.820 579 E HN 0.823 nan 8.360 nan 0.000 0.420 580 R N 0.648 121.173 120.500 0.042 0.000 2.629 580 R HA 0.322 4.670 4.340 0.013 0.000 0.266 580 R C -1.171 175.129 176.300 -0.001 0.000 1.051 580 R CA -0.198 55.922 56.100 0.033 0.000 0.895 580 R CB 1.464 31.777 30.300 0.023 0.000 1.246 580 R HN 0.239 nan 8.270 nan 0.000 0.459 581 E N 2.775 122.975 120.200 0.001 0.000 2.338 581 E HA 0.064 4.422 4.350 0.013 0.000 0.272 581 E C -0.973 175.535 176.600 -0.154 0.000 1.029 581 E CA 0.040 56.366 56.400 -0.122 0.000 0.872 581 E CB 0.786 30.470 29.700 -0.027 0.000 1.015 581 E HN 0.518 nan 8.360 nan 0.000 0.417 582 E N 2.259 122.302 120.200 -0.261 0.000 2.352 582 E HA 0.300 4.658 4.350 0.013 0.000 0.280 582 E C -1.218 175.296 176.600 -0.143 0.000 0.930 582 E CA -0.953 55.367 56.400 -0.132 0.000 0.765 582 E CB 1.410 31.097 29.700 -0.022 0.000 1.219 582 E HN 0.220 nan 8.360 nan 0.000 0.434 583 T N 1.774 116.308 114.554 -0.033 0.000 2.897 583 T HA 0.318 4.676 4.350 0.013 0.000 0.294 583 T C -0.848 173.969 174.700 0.195 0.000 1.004 583 T CA -0.023 62.071 62.100 -0.010 0.000 1.106 583 T CB 0.256 69.098 68.868 -0.044 0.000 0.949 583 T HN 0.330 nan 8.240 nan 0.000 0.520 584 H N 0.568 119.562 119.070 -0.127 0.000 2.865 584 H HA 0.706 5.269 4.556 0.013 0.000 0.372 584 H C -1.070 174.225 175.328 -0.056 0.000 1.173 584 H CA -0.978 55.015 56.048 -0.091 0.000 1.147 584 H CB 1.382 31.076 29.762 -0.114 0.000 1.805 584 H HN 0.350 nan 8.280 nan 0.000 0.553 585 L N 1.408 122.652 121.223 0.036 0.000 2.362 585 L HA 0.858 5.206 4.340 0.013 0.000 0.275 585 L C -1.077 175.817 176.870 0.040 0.000 0.998 585 L CA -0.520 54.366 54.840 0.076 0.000 0.820 585 L CB 1.106 43.208 42.059 0.070 0.000 1.270 585 L HN 0.727 nan 8.230 nan 0.000 0.415 586 A N 2.860 125.664 122.820 -0.026 0.000 2.435 586 A HA 0.962 5.290 4.320 0.013 0.000 0.304 586 A C -0.415 176.881 177.584 -0.481 0.000 1.064 586 A CA 0.017 51.870 52.037 -0.306 0.000 0.727 586 A CB 1.529 20.459 19.000 -0.117 0.000 1.284 586 A HN 1.027 nan 8.150 nan 0.000 0.415 587 G N -0.703 107.421 108.800 -1.128 0.000 2.714 587 G HA2 0.729 4.697 3.960 0.013 0.000 0.292 587 G HA3 0.729 4.697 3.960 0.013 0.000 0.292 587 G C -1.467 173.300 174.900 -0.221 0.000 1.308 587 G CA -0.678 44.058 45.100 -0.608 0.000 0.964 587 G HN 1.514 nan 8.290 nan 0.000 0.484 588 L N 0.053 121.320 121.223 0.073 0.000 2.751 588 L HA 0.557 4.904 4.340 0.013 0.000 0.261 588 L C -2.053 174.888 176.870 0.119 0.000 0.927 588 L CA -0.817 54.083 54.840 0.099 0.000 0.968 588 L CB 1.760 43.870 42.059 0.084 0.000 1.432 588 L HN 0.624 nan 8.230 nan 0.000 0.439 589 L N 5.233 126.547 121.223 0.153 0.000 2.330 589 L HA 0.917 5.265 4.340 0.013 0.000 0.271 589 L C -1.317 175.699 176.870 0.244 0.000 1.013 589 L CA -0.337 54.573 54.840 0.117 0.000 0.816 589 L CB 1.826 43.948 42.059 0.105 0.000 1.287 589 L HN 0.594 nan 8.230 nan 0.000 0.435 590 F N 3.199 123.160 119.950 0.018 0.000 2.740 590 F HA 0.628 5.163 4.527 0.013 0.000 0.312 590 F C -0.452 175.353 175.800 0.008 0.000 1.121 590 F CA 0.275 58.285 58.000 0.016 0.000 0.977 590 F CB 0.415 39.416 39.000 0.002 0.000 1.265 590 F HN 1.075 nan 8.300 nan 0.000 0.443 591 G N 4.360 112.693 108.800 -0.778 0.000 2.422 591 G HA2 -0.001 3.967 3.960 0.013 0.000 0.607 591 G HA3 -0.001 3.967 3.960 0.013 0.000 0.607 591 G C 0.370 175.101 174.900 -0.282 0.000 1.270 591 G CA 0.257 44.849 45.100 -0.847 0.000 0.992 591 G HN 1.419 nan 8.290 nan 0.000 0.499 592 E N -0.515 119.552 120.200 -0.221 0.000 2.048 592 E HA 0.206 4.564 4.350 0.013 0.000 0.202 592 E C 1.450 178.005 176.600 -0.074 0.000 1.021 592 E CA 1.710 58.047 56.400 -0.103 0.000 0.825 592 E CB -0.102 29.544 29.700 -0.091 0.000 0.756 592 E HN 2.514 nan 8.360 nan 0.000 0.454 593 G N -0.600 108.140 108.800 -0.099 0.000 2.316 593 G HA2 0.028 3.995 3.960 0.013 0.000 0.349 593 G HA3 0.028 3.995 3.960 0.013 0.000 0.349 593 G C -1.192 173.672 174.900 -0.061 0.000 1.274 593 G CA -0.436 44.627 45.100 -0.062 0.000 1.018 593 G HN 0.336 nan 8.290 nan 0.000 0.486 594 V N 1.285 121.181 119.914 -0.030 0.000 2.394 594 V HA 0.843 4.971 4.120 0.013 0.000 0.282 594 V C 1.062 177.126 176.094 -0.049 0.000 1.031 594 V CA 1.140 63.424 62.300 -0.027 0.000 0.881 594 V CB 0.388 32.230 31.823 0.031 0.000 0.982 594 V HN 2.200 nan 8.190 nan 0.000 0.451 595 G N 3.923 112.669 108.800 -0.090 0.000 2.704 595 G HA2 0.444 4.412 3.960 0.013 0.000 0.118 595 G HA3 0.444 4.412 3.960 0.013 0.000 0.118 595 G C -1.606 173.160 174.900 -0.223 0.000 1.197 595 G CA -0.716 44.306 45.100 -0.131 0.000 1.152 595 G HN 0.485 nan 8.290 nan 0.000 0.571 596 L N 1.975 123.006 121.223 -0.320 0.000 2.325 596 L HA 0.369 4.717 4.340 0.013 0.000 0.281 596 L C -1.638 174.878 176.870 -0.589 0.000 1.004 596 L CA -1.760 52.712 54.840 -0.614 0.000 0.823 596 L CB 2.836 44.360 42.059 -0.893 0.000 1.236 596 L HN 0.263 nan 8.230 nan 0.000 0.415 597 P HA -0.230 nan 4.420 nan 0.000 0.221 597 P C 0.358 177.616 177.300 -0.071 0.000 1.151 597 P CA 1.830 64.794 63.100 -0.227 0.000 0.843 597 P CB 0.057 31.720 31.700 -0.061 0.000 0.778 598 W N -1.520 119.780 121.300 0.000 0.000 4.205 598 W HA 0.568 5.232 4.660 0.007 0.000 0.247 598 W C 0.537 177.057 176.519 0.002 0.000 2.863 598 W CA 0.030 57.376 57.345 0.001 0.000 1.798 598 W CB -1.714 27.747 29.460 0.001 0.000 1.887 598 W HN -0.259 nan 8.180 nan 0.000 0.442 599 A N 2.844 125.830 122.820 0.277 0.000 2.494 599 A HA -0.201 4.127 4.320 0.013 0.000 0.291 599 A C 1.353 178.944 177.584 0.011 0.000 0.951 599 A CA 1.251 53.364 52.037 0.127 0.000 1.099 599 A CB -0.535 18.500 19.000 0.059 0.000 0.783 599 A HN 0.483 nan 8.150 nan 0.000 0.433 600 K N 1.449 121.875 120.400 0.042 0.000 2.189 600 K HA -0.198 4.130 4.320 0.013 0.000 0.207 600 K C 0.319 176.914 176.600 -0.009 0.000 1.046 600 K CA 1.754 58.051 56.287 0.016 0.000 0.928 600 K CB -0.144 32.374 32.500 0.029 0.000 0.720 600 K HN 0.839 nan 8.250 nan 0.000 0.458 601 E N 1.706 121.898 120.200 -0.013 0.000 2.672 601 E HA -0.060 4.298 4.350 0.013 0.000 0.234 601 E C -0.470 176.103 176.600 -0.044 0.000 1.162 601 E CA 0.673 57.059 56.400 -0.023 0.000 0.952 601 E CB 0.100 29.785 29.700 -0.024 0.000 0.987 601 E HN 0.084 nan 8.360 nan 0.000 0.507 602 R N 2.030 122.512 120.500 -0.029 0.000 2.720 602 R HA 0.587 4.934 4.340 0.013 0.000 0.272 602 R C -0.705 175.586 176.300 -0.015 0.000 0.991 602 R CA -0.825 55.255 56.100 -0.033 0.000 1.010 602 R CB 1.136 31.420 30.300 -0.026 0.000 1.141 602 R HN 0.457 nan 8.270 nan 0.000 0.494 603 L N 2.393 123.609 121.223 -0.011 0.000 2.342 603 L HA 0.579 4.926 4.340 0.013 0.000 0.276 603 L C -1.107 175.783 176.870 0.032 0.000 0.997 603 L CA 0.120 54.967 54.840 0.011 0.000 0.838 603 L CB 0.914 42.975 42.059 0.003 0.000 1.224 603 L HN 0.954 nan 8.230 nan 0.000 0.416 604 S N 2.725 118.458 115.700 0.056 0.000 2.694 604 S HA 0.911 5.389 4.470 0.013 0.000 0.273 604 S C -0.116 174.544 174.600 0.100 0.000 1.180 604 S CA -0.120 58.121 58.200 0.069 0.000 0.864 604 S CB 0.925 64.156 63.200 0.051 0.000 1.198 604 S HN 1.510 nan 8.310 nan 0.000 0.499 605 G N 0.631 109.497 108.800 0.110 0.000 2.645 605 G HA2 -0.209 3.759 3.960 0.013 0.000 0.239 605 G HA3 -0.209 3.759 3.960 0.013 0.000 0.239 605 G C 0.239 174.988 174.900 -0.252 0.000 1.331 605 G CA 0.792 45.933 45.100 0.069 0.000 0.890 605 G HN 1.957 nan 8.290 nan 0.000 0.572 606 Y N 0.195 119.967 120.300 -0.880 0.000 2.038 606 Y HA -0.257 4.300 4.550 0.011 0.000 0.266 606 Y C 2.682 178.330 175.900 -0.419 0.000 1.220 606 Y CA 3.437 61.080 58.100 -0.762 0.000 1.107 606 Y CB -0.656 37.402 38.460 -0.670 0.000 0.932 606 Y HN 0.439 nan 8.280 nan 0.000 0.500 607 F N -0.872 118.983 119.950 -0.159 0.000 2.546 607 F HA -0.116 4.420 4.527 0.015 0.000 0.298 607 F C 2.039 177.767 175.800 -0.119 0.000 1.120 607 F CA 0.859 58.747 58.000 -0.188 0.000 1.456 607 F CB -0.467 38.524 39.000 -0.015 0.000 1.088 607 F HN 0.238 nan 8.300 nan 0.000 0.572 608 L N -0.423 120.829 121.223 0.049 0.000 2.072 608 L HA -0.083 4.265 4.340 0.013 0.000 0.205 608 L C 2.064 179.008 176.870 0.123 0.000 1.079 608 L CA 1.495 56.396 54.840 0.103 0.000 0.752 608 L CB -0.852 41.254 42.059 0.079 0.000 0.906 608 L HN 0.124 nan 8.230 nan 0.000 0.436 609 L N 0.257 121.474 121.223 -0.010 0.000 1.988 609 L HA -0.192 4.155 4.340 0.013 0.000 0.207 609 L C 2.607 179.505 176.870 0.045 0.000 1.071 609 L CA 2.156 57.021 54.840 0.041 0.000 0.744 609 L CB -0.905 41.171 42.059 0.028 0.000 0.893 609 L HN 0.389 nan 8.230 nan 0.000 0.433 610 K N -0.860 119.425 120.400 -0.192 0.000 2.286 610 K HA -0.168 4.160 4.320 0.013 0.000 0.203 610 K C 1.833 178.484 176.600 0.085 0.000 1.045 610 K CA 1.180 57.400 56.287 -0.112 0.000 0.935 610 K CB -0.497 31.746 32.500 -0.429 0.000 0.737 610 K HN 0.569 nan 8.250 nan 0.000 0.460 611 G N 0.389 109.248 108.800 0.098 0.000 2.524 611 G HA2 -0.274 3.694 3.960 0.013 0.000 0.215 611 G HA3 -0.274 3.694 3.960 0.013 0.000 0.215 611 G C 1.067 176.059 174.900 0.155 0.000 1.239 611 G CA 0.990 46.171 45.100 0.134 0.000 0.798 611 G HN 0.277 nan 8.290 nan 0.000 0.557 612 Y N 0.635 120.975 120.300 0.066 0.000 2.069 612 Y HA -0.120 4.437 4.550 0.012 0.000 0.278 612 Y C 2.903 178.858 175.900 0.092 0.000 1.175 612 Y CA 1.333 59.503 58.100 0.117 0.000 1.134 612 Y CB -0.757 37.827 38.460 0.208 0.000 0.965 612 Y HN 0.073 nan 8.280 nan 0.000 0.498 613 L N -0.243 121.104 121.223 0.207 0.000 2.043 613 L HA -0.301 4.047 4.340 0.013 0.000 0.212 613 L C 2.311 179.121 176.870 -0.100 0.000 1.075 613 L CA 1.743 56.532 54.840 -0.086 0.000 0.752 613 L CB -0.422 41.460 42.059 -0.296 0.000 0.891 613 L HN 0.344 nan 8.230 nan 0.000 0.432 614 E N -0.616 119.695 120.200 0.184 0.000 2.072 614 E HA -0.203 4.155 4.350 0.013 0.000 0.191 614 E C 2.246 178.936 176.600 0.150 0.000 0.985 614 E CA 1.012 57.606 56.400 0.323 0.000 0.801 614 E CB -0.177 29.703 29.700 0.300 0.000 0.750 614 E HN 0.530 nan 8.360 nan 0.000 0.452 615 A N 1.329 124.194 122.820 0.075 0.000 1.940 615 A HA -0.182 4.145 4.320 0.013 0.000 0.219 615 A C 2.129 179.712 177.584 -0.001 0.000 1.176 615 A CA 1.079 53.121 52.037 0.007 0.000 0.631 615 A CB -0.535 18.416 19.000 -0.081 0.000 0.814 615 A HN 0.229 nan 8.150 nan 0.000 0.446 616 L N -1.131 120.090 121.223 -0.003 0.000 1.937 616 L HA -0.075 4.272 4.340 0.013 0.000 0.213 616 L C 2.100 178.889 176.870 -0.134 0.000 1.077 616 L CA 2.235 57.011 54.840 -0.108 0.000 0.758 616 L CB -1.096 40.836 42.059 -0.211 0.000 0.888 616 L HN 0.309 nan 8.230 nan 0.000 0.433 617 F N 0.421 120.211 119.950 -0.265 0.000 2.373 617 F HA -0.129 4.406 4.527 0.013 0.000 0.300 617 F C 2.423 178.170 175.800 -0.088 0.000 1.080 617 F CA 0.926 58.809 58.000 -0.195 0.000 1.417 617 F CB -1.425 37.439 39.000 -0.227 0.000 1.070 617 F HN 0.288 nan 8.300 nan 0.000 0.546 618 A N -0.106 122.778 122.820 0.108 0.000 1.902 618 A HA -0.172 4.155 4.320 0.013 0.000 0.217 618 A C 2.464 180.057 177.584 0.016 0.000 1.181 618 A CA 1.236 53.314 52.037 0.069 0.000 0.623 618 A CB -0.454 18.576 19.000 0.050 0.000 0.818 618 A HN 0.131 nan 8.150 nan 0.000 0.443 619 R N -0.033 120.450 120.500 -0.028 0.000 2.092 619 R HA 0.020 4.368 4.340 0.013 0.000 0.231 619 R C 1.717 177.977 176.300 -0.067 0.000 1.119 619 R CA 1.258 57.326 56.100 -0.054 0.000 0.970 619 R CB -0.728 29.521 30.300 -0.086 0.000 0.864 619 R HN 0.605 nan 8.270 nan 0.000 0.440 620 L N -0.559 120.605 121.223 -0.099 0.000 2.554 620 L HA 0.173 4.521 4.340 0.013 0.000 0.226 620 L C 0.974 177.824 176.870 -0.033 0.000 1.137 620 L CA 0.510 55.285 54.840 -0.108 0.000 0.863 620 L CB -0.261 41.665 42.059 -0.222 0.000 0.985 620 L HN 0.292 nan 8.230 nan 0.000 0.451 621 G N 1.537 110.342 108.800 0.007 0.000 2.333 621 G HA2 -0.258 3.709 3.960 0.013 0.000 0.296 621 G HA3 -0.258 3.709 3.960 0.013 0.000 0.296 621 G C -0.325 174.613 174.900 0.063 0.000 1.059 621 G CA 0.010 45.132 45.100 0.036 0.000 1.050 621 G HN 0.255 nan 8.290 nan 0.000 0.508 622 L N -0.512 120.782 121.223 0.118 0.000 2.408 622 L HA 0.771 5.119 4.340 0.013 0.000 0.268 622 L C 0.771 177.755 176.870 0.190 0.000 0.986 622 L CA -0.984 53.957 54.840 0.169 0.000 0.820 622 L CB 2.073 44.285 42.059 0.255 0.000 1.303 622 L HN 0.398 nan 8.230 nan 0.000 0.411 623 A N 2.352 125.248 122.820 0.127 0.000 2.511 623 A HA 0.426 4.754 4.320 0.013 0.000 0.242 623 A C -0.990 176.650 177.584 0.094 0.000 1.069 623 A CA 0.541 52.634 52.037 0.093 0.000 0.763 623 A CB -0.034 18.997 19.000 0.052 0.000 1.001 623 A HN 0.503 nan 8.150 nan 0.000 0.498 624 F N 3.078 122.940 119.950 -0.147 0.000 2.604 624 F HA 0.674 5.208 4.527 0.012 0.000 0.316 624 F C -0.377 175.322 175.800 -0.169 0.000 1.136 624 F CA -0.710 57.110 58.000 -0.300 0.000 0.989 624 F CB 1.584 40.282 39.000 -0.504 0.000 1.258 624 F HN 0.885 nan 8.300 nan 0.000 0.451 625 R N 4.315 124.347 120.500 -0.780 0.000 2.664 625 R HA 0.769 5.117 4.340 0.013 0.000 0.266 625 R C -2.527 173.457 176.300 -0.525 0.000 1.046 625 R CA -1.059 54.645 56.100 -0.660 0.000 0.885 625 R CB 1.509 31.652 30.300 -0.262 0.000 1.254 625 R HN 0.388 nan 8.270 nan 0.000 0.465 626 V N 1.071 120.768 119.914 -0.363 0.000 2.667 626 V HA 0.478 4.606 4.120 0.013 0.000 0.308 626 V C -0.341 175.740 176.094 -0.021 0.000 1.048 626 V CA -0.699 61.522 62.300 -0.132 0.000 0.928 626 V CB 1.785 33.584 31.823 -0.040 0.000 1.004 626 V HN 0.800 nan 8.190 nan 0.000 0.444 627 E N 2.379 122.606 120.200 0.044 0.000 2.409 627 E HA 0.512 4.870 4.350 0.013 0.000 0.259 627 E C -0.354 176.301 176.600 0.092 0.000 0.932 627 E CA -0.682 55.750 56.400 0.053 0.000 0.809 627 E CB 1.823 31.545 29.700 0.035 0.000 1.341 627 E HN 0.926 nan 8.360 nan 0.000 0.405 628 A N 3.409 126.276 122.820 0.079 0.000 2.602 628 A HA -0.130 4.198 4.320 0.013 0.000 0.256 628 A C 0.212 177.841 177.584 0.075 0.000 0.956 628 A CA 1.256 53.340 52.037 0.079 0.000 0.878 628 A CB -0.019 19.002 19.000 0.034 0.000 0.834 628 A HN 0.700 nan 8.150 nan 0.000 0.473 629 E N 1.100 121.365 120.200 0.109 0.000 2.343 629 E HA 0.577 4.935 4.350 0.013 0.000 0.278 629 E C -0.433 176.047 176.600 -0.200 0.000 0.910 629 E CA -0.199 56.167 56.400 -0.056 0.000 0.757 629 E CB 1.743 31.420 29.700 -0.039 0.000 1.218 629 E HN 1.186 nan 8.360 nan 0.000 0.435 630 A N 3.797 126.405 122.820 -0.352 0.000 2.451 630 A HA 0.481 4.809 4.320 0.013 0.000 0.266 630 A C -1.079 176.102 177.584 -0.670 0.000 1.119 630 A CA 0.270 52.106 52.037 -0.336 0.000 0.786 630 A CB -0.332 18.526 19.000 -0.237 0.000 1.061 630 A HN 0.467 nan 8.150 nan 0.000 0.503 631 F N 3.524 123.298 119.950 -0.293 0.000 2.577 631 F HA 0.360 4.894 4.527 0.012 0.000 0.344 631 F C -1.800 173.527 175.800 -0.789 0.000 1.145 631 F CA -1.662 55.940 58.000 -0.663 0.000 0.996 631 F CB 2.315 40.805 39.000 -0.850 0.000 1.248 631 F HN 0.453 nan 8.300 nan 0.000 0.447 632 P HA -0.239 nan 4.420 nan 0.000 0.223 632 P C 0.324 177.523 177.300 -0.169 0.000 1.138 632 P CA 1.568 64.502 63.100 -0.277 0.000 0.787 632 P CB -0.322 31.279 31.700 -0.166 0.000 0.752 633 F N -4.167 115.833 119.950 0.084 0.000 2.775 633 F HA 0.419 4.953 4.527 0.012 0.000 0.313 633 F C -0.052 175.774 175.800 0.043 0.000 1.121 633 F CA -1.269 56.772 58.000 0.068 0.000 1.206 633 F CB -0.589 38.467 39.000 0.094 0.000 1.052 633 F HN -0.313 nan 8.300 nan 0.000 0.524 634 L N 0.997 122.322 121.223 0.169 0.000 2.401 634 L HA 0.385 4.733 4.340 0.013 0.000 0.266 634 L C -0.093 176.841 176.870 0.107 0.000 0.991 634 L CA -1.254 53.689 54.840 0.172 0.000 0.818 634 L CB 1.254 43.403 42.059 0.151 0.000 1.321 634 L HN 0.000 nan 8.230 nan 0.000 0.413 635 H N 3.899 122.941 119.070 -0.047 0.000 3.214 635 H HA -0.052 4.512 4.556 0.014 0.000 0.291 635 H C -1.890 173.369 175.328 -0.115 0.000 0.926 635 H CA -0.706 55.236 56.048 -0.176 0.000 1.409 635 H CB 1.111 30.811 29.762 -0.103 0.000 1.406 635 H HN 0.332 nan 8.280 nan 0.000 0.561 636 P HA -0.105 nan 4.420 nan 0.000 0.219 636 P C 1.378 178.742 177.300 0.107 0.000 1.146 636 P CA 1.726 64.866 63.100 0.066 0.000 0.808 636 P CB 0.064 31.770 31.700 0.010 0.000 0.779 637 G N -1.054 107.899 108.800 0.255 0.000 2.448 637 G HA2 -0.056 3.912 3.960 0.013 0.000 0.218 637 G HA3 -0.056 3.912 3.960 0.013 0.000 0.218 637 G C 0.278 175.079 174.900 -0.165 0.000 1.135 637 G CA 0.418 45.506 45.100 -0.021 0.000 0.784 637 G HN 0.244 nan 8.290 nan 0.000 0.543 638 V N 0.605 120.423 119.914 -0.160 0.000 2.383 638 V HA 0.616 4.744 4.120 0.013 0.000 0.264 638 V C -0.511 175.529 176.094 -0.090 0.000 1.001 638 V CA -0.645 61.494 62.300 -0.269 0.000 0.828 638 V CB 0.913 32.526 31.823 -0.350 0.000 1.069 638 V HN 0.201 nan 8.190 nan 0.000 0.451 639 S N 2.428 118.109 115.700 -0.031 0.000 2.605 639 S HA 0.825 5.303 4.470 0.013 0.000 0.279 639 S C -0.345 174.374 174.600 0.198 0.000 1.166 639 S CA 0.352 58.631 58.200 0.132 0.000 0.975 639 S CB 1.432 64.731 63.200 0.164 0.000 1.111 639 S HN 1.103 nan 8.310 nan 0.000 0.465 640 G N 3.076 112.056 108.800 0.300 0.000 2.788 640 G HA2 0.710 4.677 3.960 0.013 0.000 0.293 640 G HA3 0.710 4.677 3.960 0.013 0.000 0.293 640 G C -1.275 173.913 174.900 0.481 0.000 1.392 640 G CA -0.985 44.319 45.100 0.339 0.000 0.810 640 G HN 0.891 nan 8.290 nan 0.000 0.508 641 R N -1.147 119.615 120.500 0.437 0.000 2.674 641 R HA 0.778 5.125 4.340 0.013 0.000 0.266 641 R C -1.125 175.306 176.300 0.218 0.000 1.016 641 R CA -0.660 55.687 56.100 0.413 0.000 1.062 641 R CB 1.606 32.175 30.300 0.448 0.000 1.142 641 R HN 0.245 nan 8.270 nan 0.000 0.517 642 V N 2.050 122.071 119.914 0.177 0.000 2.483 642 V HA 0.327 4.455 4.120 0.013 0.000 0.295 642 V C -0.284 175.856 176.094 0.077 0.000 1.035 642 V CA -0.942 61.431 62.300 0.122 0.000 0.896 642 V CB 1.616 33.514 31.823 0.126 0.000 0.986 642 V HN 0.502 nan 8.190 nan 0.000 0.447 643 L N 5.403 126.641 121.223 0.024 0.000 2.345 643 L HA 0.486 4.834 4.340 0.013 0.000 0.274 643 L C -0.388 176.481 176.870 -0.001 0.000 0.999 643 L CA -0.252 54.594 54.840 0.010 0.000 0.849 643 L CB 1.623 43.673 42.059 -0.015 0.000 1.220 643 L HN 0.400 nan 8.230 nan 0.000 0.422 644 V N 3.855 123.769 119.914 0.000 0.000 2.407 644 V HA 0.292 4.420 4.120 0.013 0.000 0.278 644 V C 0.788 176.908 176.094 0.044 0.000 1.037 644 V CA -0.593 61.706 62.300 -0.002 0.000 0.900 644 V CB 1.156 33.028 31.823 0.080 0.000 0.983 644 V HN 0.753 nan 8.190 nan 0.000 0.459 645 E N 3.800 124.033 120.200 0.054 0.000 2.494 645 E HA -0.324 4.033 4.350 0.013 0.000 0.249 645 E C 1.345 177.964 176.600 0.032 0.000 1.184 645 E CA 1.243 57.673 56.400 0.050 0.000 0.727 645 E CB -1.370 28.366 29.700 0.059 0.000 1.281 645 E HN 1.503 nan 8.360 nan 0.000 0.405 646 G N -0.308 108.504 108.800 0.021 0.000 2.317 646 G HA2 -0.352 3.615 3.960 0.013 0.000 0.227 646 G HA3 -0.352 3.615 3.960 0.013 0.000 0.227 646 G C 0.051 174.965 174.900 0.023 0.000 1.042 646 G CA 0.396 45.505 45.100 0.015 0.000 0.623 646 G HN 0.472 nan 8.290 nan 0.000 0.509 647 E N 1.442 121.661 120.200 0.031 0.000 2.259 647 E HA 0.593 4.951 4.350 0.013 0.000 0.281 647 E C -0.016 176.613 176.600 0.048 0.000 1.027 647 E CA -0.652 55.771 56.400 0.039 0.000 0.838 647 E CB 1.709 31.432 29.700 0.040 0.000 1.066 647 E HN 0.443 nan 8.360 nan 0.000 0.401 648 E N 2.259 122.495 120.200 0.061 0.000 2.373 648 E HA 0.078 4.435 4.350 0.013 0.000 0.267 648 E C 0.177 176.828 176.600 0.085 0.000 1.032 648 E CA -0.184 56.267 56.400 0.085 0.000 0.889 648 E CB 1.044 30.814 29.700 0.116 0.000 0.984 648 E HN 0.580 nan 8.360 nan 0.000 0.425 649 V N 0.225 120.189 119.914 0.083 0.000 3.509 649 V HA 0.522 4.650 4.120 0.013 0.000 0.286 649 V C 0.294 176.404 176.094 0.026 0.000 1.618 649 V CA 0.290 62.621 62.300 0.051 0.000 1.088 649 V CB 0.159 31.996 31.823 0.023 0.000 0.909 649 V HN 0.724 nan 8.190 nan 0.000 0.429 650 G N 1.079 109.926 108.800 0.079 0.000 2.485 650 G HA2 0.589 4.556 3.960 0.013 0.000 0.182 650 G HA3 0.589 4.556 3.960 0.013 0.000 0.182 650 G C -1.455 173.504 174.900 0.098 0.000 1.172 650 G CA 0.126 45.236 45.100 0.016 0.000 0.996 650 G HN 1.095 nan 8.290 nan 0.000 0.496 651 F N -1.579 118.353 119.950 -0.031 0.000 2.713 651 F HA 0.900 5.434 4.527 0.012 0.000 0.311 651 F C -1.741 174.089 175.800 0.050 0.000 1.141 651 F CA -1.517 56.379 58.000 -0.173 0.000 0.939 651 F CB 1.916 40.404 39.000 -0.853 0.000 1.325 651 F HN 0.876 nan 8.300 nan 0.000 0.453 652 L N 1.528 122.992 121.223 0.403 0.000 2.543 652 L HA 0.965 5.312 4.340 0.013 0.000 0.265 652 L C -0.611 176.527 176.870 0.448 0.000 0.945 652 L CA 0.178 55.268 54.840 0.415 0.000 0.869 652 L CB 1.621 43.860 42.059 0.301 0.000 1.294 652 L HN 1.423 nan 8.230 nan 0.000 0.405 653 G N 2.589 111.663 108.800 0.457 0.000 2.435 653 G HA2 0.735 4.702 3.960 0.013 0.000 0.296 653 G HA3 0.735 4.702 3.960 0.013 0.000 0.296 653 G C -1.916 173.244 174.900 0.433 0.000 1.240 653 G CA -0.114 45.224 45.100 0.396 0.000 0.872 653 G HN 1.030 nan 8.290 nan 0.000 0.480 654 A N -0.681 122.356 122.820 0.363 0.000 2.340 654 A HA 0.744 5.071 4.320 0.013 0.000 0.331 654 A C -0.345 177.347 177.584 0.179 0.000 1.140 654 A CA -0.575 51.669 52.037 0.346 0.000 0.801 654 A CB 1.489 20.702 19.000 0.355 0.000 1.234 654 A HN 1.712 nan 8.150 nan 0.000 0.469 655 L N 2.338 123.614 121.223 0.089 0.000 2.525 655 L HA 0.049 4.397 4.340 0.013 0.000 0.278 655 L C 0.791 177.733 176.870 0.120 0.000 1.218 655 L CA 0.428 55.321 54.840 0.088 0.000 0.878 655 L CB -0.112 41.975 42.059 0.045 0.000 1.127 655 L HN 0.770 nan 8.230 nan 0.000 0.492 656 H N 7.013 126.113 119.070 0.051 0.000 3.107 656 H HA 0.021 4.585 4.556 0.014 0.000 0.301 656 H C -1.835 173.459 175.328 -0.055 0.000 0.981 656 H CA -1.115 54.927 56.048 -0.011 0.000 1.443 656 H CB 0.837 30.593 29.762 -0.011 0.000 1.479 656 H HN 0.542 nan 8.280 nan 0.000 0.564 657 P HA -0.218 nan 4.420 nan 0.000 0.217 657 P C 1.389 178.742 177.300 0.089 0.000 1.158 657 P CA 1.825 64.908 63.100 -0.028 0.000 0.887 657 P CB 0.218 31.803 31.700 -0.192 0.000 0.792 658 E N -1.103 119.265 120.200 0.281 0.000 2.130 658 E HA -0.202 4.156 4.350 0.013 0.000 0.196 658 E C 1.829 178.433 176.600 0.008 0.000 0.998 658 E CA 1.026 57.501 56.400 0.125 0.000 0.806 658 E CB -0.304 29.436 29.700 0.067 0.000 0.738 658 E HN 0.087 nan 8.360 nan 0.000 0.459 659 I N 0.623 121.201 120.570 0.014 0.000 2.133 659 I HA -0.203 3.975 4.170 0.013 0.000 0.238 659 I C 2.593 178.641 176.117 -0.114 0.000 1.074 659 I CA 1.243 62.473 61.300 -0.117 0.000 1.342 659 I CB -1.695 36.228 38.000 -0.128 0.000 1.053 659 I HN 0.102 nan 8.210 nan 0.000 0.404 660 A N 0.530 123.318 122.820 -0.054 0.000 1.971 660 A HA -0.334 3.994 4.320 0.013 0.000 0.222 660 A C 2.272 179.821 177.584 -0.058 0.000 1.182 660 A CA 2.493 54.496 52.037 -0.056 0.000 0.649 660 A CB -0.847 18.135 19.000 -0.030 0.000 0.818 660 A HN 0.519 nan 8.150 nan 0.000 0.458 661 Q N -0.064 119.711 119.800 -0.042 0.000 2.124 661 Q HA -0.183 4.165 4.340 0.013 0.000 0.202 661 Q C 1.918 177.887 176.000 -0.052 0.000 0.977 661 Q CA 2.312 58.093 55.803 -0.037 0.000 0.850 661 Q CB -0.333 28.391 28.738 -0.023 0.000 0.901 661 Q HN 0.798 nan 8.270 nan 0.000 0.429 662 E N -0.612 119.541 120.200 -0.078 0.000 2.046 662 E HA -0.087 4.271 4.350 0.013 0.000 0.190 662 E C 1.170 177.720 176.600 -0.084 0.000 0.982 662 E CA 0.801 57.149 56.400 -0.087 0.000 0.800 662 E CB -0.045 29.582 29.700 -0.122 0.000 0.756 662 E HN 0.467 nan 8.360 nan 0.000 0.449 663 L N 1.735 122.895 121.223 -0.106 0.000 2.645 663 L HA 0.077 4.425 4.340 0.013 0.000 0.235 663 L C -0.076 176.760 176.870 -0.057 0.000 1.150 663 L CA 0.361 55.155 54.840 -0.077 0.000 0.911 663 L CB -0.870 41.138 42.059 -0.084 0.000 1.077 663 L HN 0.229 nan 8.230 nan 0.000 0.438 664 E N -0.449 119.720 120.200 -0.053 0.000 2.199 664 E HA -0.248 4.110 4.350 0.013 0.000 0.208 664 E C -0.611 175.959 176.600 -0.050 0.000 1.310 664 E CA 0.304 56.679 56.400 -0.041 0.000 0.709 664 E CB -1.947 27.735 29.700 -0.029 0.000 1.127 664 E HN 0.494 nan 8.360 nan 0.000 0.354 665 L N -0.038 121.146 121.223 -0.064 0.000 2.342 665 L HA 0.553 4.900 4.340 0.013 0.000 0.271 665 L C -1.841 174.984 176.870 -0.075 0.000 1.008 665 L CA -2.642 52.141 54.840 -0.094 0.000 0.818 665 L CB 1.597 43.581 42.059 -0.126 0.000 1.296 665 L HN -0.024 nan 8.230 nan 0.000 0.427 666 P HA 0.099 nan 4.420 nan 0.000 0.291 666 P C -2.557 174.732 177.300 -0.018 0.000 1.287 666 P CA -0.582 62.513 63.100 -0.008 0.000 0.767 666 P CB -0.381 31.361 31.700 0.070 0.000 1.290 667 P HA 0.172 nan 4.420 nan 0.000 0.274 667 P C -1.090 176.163 177.300 -0.078 0.000 1.246 667 P CA 0.234 63.318 63.100 -0.027 0.000 0.795 667 P CB 0.824 32.526 31.700 0.004 0.000 1.006 668 V N 1.325 121.098 119.914 -0.234 0.000 3.098 668 V HA 0.406 4.533 4.120 0.013 0.000 0.294 668 V C -1.601 174.267 176.094 -0.376 0.000 1.351 668 V CA -0.595 61.572 62.300 -0.220 0.000 0.999 668 V CB 2.160 33.938 31.823 -0.074 0.000 1.104 668 V HN 0.676 nan 8.190 nan 0.000 0.438 669 H N 5.164 124.326 119.070 0.153 0.000 2.679 669 H HA 0.916 5.479 4.556 0.012 0.000 0.367 669 H C -0.920 174.495 175.328 0.144 0.000 1.162 669 H CA -0.190 55.954 56.048 0.161 0.000 1.181 669 H CB 1.944 31.812 29.762 0.177 0.000 1.693 669 H HN 0.681 nan 8.280 nan 0.000 0.538 670 L N -0.376 121.026 121.223 0.298 0.000 2.963 670 L HA 0.649 4.997 4.340 0.013 0.000 0.273 670 L C -1.108 175.933 176.870 0.286 0.000 1.078 670 L CA -1.207 53.744 54.840 0.184 0.000 0.970 670 L CB 0.781 42.865 42.059 0.041 0.000 1.564 670 L HN 0.545 nan 8.230 nan 0.000 0.381 671 F N -2.244 117.746 119.950 0.068 0.000 2.744 671 F HA 0.819 5.354 4.527 0.012 0.000 0.311 671 F C -1.270 174.324 175.800 -0.343 0.000 1.144 671 F CA -0.747 57.166 58.000 -0.145 0.000 0.938 671 F CB 1.809 40.781 39.000 -0.048 0.000 1.292 671 F HN 0.690 nan 8.300 nan 0.000 0.444 672 E N 2.779 122.673 120.200 -0.509 0.000 2.448 672 E HA 0.532 4.890 4.350 0.013 0.000 0.288 672 E C -1.990 174.407 176.600 -0.338 0.000 0.936 672 E CA -0.423 55.735 56.400 -0.405 0.000 0.809 672 E CB 1.171 30.633 29.700 -0.398 0.000 1.408 672 E HN 0.745 nan 8.360 nan 0.000 0.393 673 L N 2.088 123.268 121.223 -0.071 0.000 2.488 673 L HA 0.570 4.918 4.340 0.013 0.000 0.249 673 L C 0.404 177.043 176.870 -0.385 0.000 1.151 673 L CA -0.550 54.203 54.840 -0.145 0.000 0.806 673 L CB 0.590 42.649 42.059 0.000 0.000 1.261 673 L HN 0.408 nan 8.230 nan 0.000 0.484 674 R N 0.443 120.744 120.500 -0.332 0.000 2.534 674 R HA 0.640 4.988 4.340 0.013 0.000 0.301 674 R C -1.641 174.567 176.300 -0.153 0.000 0.961 674 R CA -0.566 55.283 56.100 -0.419 0.000 0.871 674 R CB 0.978 31.094 30.300 -0.306 0.000 1.170 674 R HN 0.526 nan 8.270 nan 0.000 0.446 675 L N 4.779 125.945 121.223 -0.095 0.000 2.352 675 L HA 0.591 4.938 4.340 0.013 0.000 0.269 675 L C -1.778 175.075 176.870 -0.028 0.000 1.034 675 L CA -2.247 52.561 54.840 -0.054 0.000 0.806 675 L CB 1.641 43.666 42.059 -0.057 0.000 1.244 675 L HN 0.560 nan 8.230 nan 0.000 0.447 676 P HA 0.208 nan 4.420 nan 0.000 0.279 676 P C -0.705 176.579 177.300 -0.027 0.000 1.239 676 P CA -0.407 62.672 63.100 -0.036 0.000 0.789 676 P CB 1.013 32.697 31.700 -0.027 0.000 0.933 677 L N 4.350 125.548 121.223 -0.041 0.000 2.461 677 L HA 0.169 4.516 4.340 0.013 0.000 0.272 677 L C -1.669 175.206 176.870 0.008 0.000 1.197 677 L CA -1.655 53.180 54.840 -0.009 0.000 0.836 677 L CB -0.531 41.500 42.059 -0.046 0.000 1.105 677 L HN 0.258 nan 8.230 nan 0.000 0.477 678 P HA -0.100 nan 4.420 nan 0.000 0.269 678 P C -1.203 176.111 177.300 0.025 0.000 1.200 678 P CA 0.354 63.477 63.100 0.038 0.000 0.779 678 P CB 0.371 32.107 31.700 0.059 0.000 0.841 679 D N 0.889 121.302 120.400 0.020 0.000 2.464 679 D HA 0.154 4.802 4.640 0.013 0.000 0.243 679 D C -0.555 175.756 176.300 0.020 0.000 1.104 679 D CA -0.395 53.613 54.000 0.013 0.000 0.883 679 D CB 0.195 41.000 40.800 0.008 0.000 1.050 679 D HN 0.019 nan 8.370 nan 0.000 0.524 680 K N 4.231 124.645 120.400 0.023 0.000 2.262 680 K HA 0.346 4.673 4.320 0.013 0.000 0.282 680 K C -2.161 174.453 176.600 0.023 0.000 1.066 680 K CA -1.509 54.793 56.287 0.026 0.000 0.901 680 K CB 0.772 33.292 32.500 0.033 0.000 1.089 680 K HN 0.294 nan 8.250 nan 0.000 0.476 681 P HA 0.034 nan 4.420 nan 0.000 0.275 681 P C -0.810 176.509 177.300 0.031 0.000 1.227 681 P CA -0.647 62.468 63.100 0.025 0.000 0.781 681 P CB 0.734 32.448 31.700 0.023 0.000 0.906 682 L N 2.551 123.796 121.223 0.037 0.000 2.326 682 L HA 0.544 4.891 4.340 0.013 0.000 0.278 682 L C -0.341 176.569 176.870 0.066 0.000 1.092 682 L CA -0.386 54.485 54.840 0.052 0.000 0.810 682 L CB 0.534 42.630 42.059 0.061 0.000 1.153 682 L HN 0.537 nan 8.230 nan 0.000 0.439 683 A N 5.491 128.351 122.820 0.066 0.000 2.360 683 A HA 0.413 4.741 4.320 0.013 0.000 0.309 683 A C -0.581 177.056 177.584 0.089 0.000 1.311 683 A CA -0.564 51.516 52.037 0.072 0.000 0.805 683 A CB -0.194 18.826 19.000 0.033 0.000 1.144 683 A HN 0.668 nan 8.150 nan 0.000 0.486 684 F N 1.655 121.610 119.950 0.009 0.000 2.586 684 F HA 0.338 4.872 4.527 0.013 0.000 0.344 684 F C 0.489 176.296 175.800 0.011 0.000 1.188 684 F CA 1.029 59.035 58.000 0.010 0.000 1.359 684 F CB 0.567 39.573 39.000 0.009 0.000 1.129 684 F HN 0.600 nan 8.300 nan 0.000 0.609 685 Q N 3.721 122.775 119.800 -1.243 0.000 2.567 685 Q HA 0.143 4.491 4.340 0.013 0.000 0.233 685 Q C -1.599 173.850 176.000 -0.918 0.000 0.833 685 Q CA -0.721 54.598 55.803 -0.807 0.000 0.844 685 Q CB 1.012 29.535 28.738 -0.357 0.000 1.423 685 Q HN 0.550 nan 8.270 nan 0.000 0.442 686 D N 4.940 124.907 120.400 -0.721 0.000 2.586 686 D HA -0.018 4.630 4.640 0.013 0.000 0.234 686 D C -1.829 174.371 176.300 -0.168 0.000 1.132 686 D CA 0.106 53.939 54.000 -0.279 0.000 0.860 686 D CB 0.536 41.327 40.800 -0.015 0.000 1.159 686 D HN 0.266 nan 8.370 nan 0.000 0.490 687 P HA 0.081 nan 4.420 nan 0.000 0.292 687 P C -0.386 176.927 177.300 0.021 0.000 1.287 687 P CA -0.605 62.474 63.100 -0.035 0.000 0.800 687 P CB 1.018 32.711 31.700 -0.012 0.000 0.945 688 S N 3.242 118.968 115.700 0.043 0.000 2.558 688 S HA 0.084 4.562 4.470 0.013 0.000 0.288 688 S C 0.833 175.505 174.600 0.120 0.000 1.318 688 S CA -0.363 57.911 58.200 0.123 0.000 1.056 688 S CB 0.541 63.825 63.200 0.139 0.000 0.853 688 S HN 0.425 nan 8.310 nan 0.000 0.505 689 R N 0.829 121.401 120.500 0.120 0.000 2.356 689 R HA 0.118 4.466 4.340 0.013 0.000 0.234 689 R C -0.558 175.583 176.300 -0.265 0.000 0.929 689 R CA 0.049 56.099 56.100 -0.084 0.000 1.084 689 R CB -0.117 30.086 30.300 -0.162 0.000 1.105 689 R HN 0.713 nan 8.270 nan 0.000 0.515 690 H N 0.094 119.176 119.070 0.020 0.000 2.504 690 H HA 0.263 4.827 4.556 0.013 0.000 0.322 690 H C -2.357 172.979 175.328 0.014 0.000 1.055 690 H CA -2.607 53.448 56.048 0.012 0.000 1.231 690 H CB 0.823 30.595 29.762 0.016 0.000 1.417 690 H HN -0.164 nan 8.280 nan 0.000 0.472 691 P HA -0.123 nan 4.420 nan 0.000 0.264 691 P C -0.697 176.633 177.300 0.051 0.000 1.156 691 P CA 0.511 63.632 63.100 0.035 0.000 0.756 691 P CB 0.479 32.171 31.700 -0.014 0.000 0.764 692 A N 3.862 126.724 122.820 0.070 0.000 2.316 692 A HA 0.545 4.872 4.320 0.013 0.000 0.311 692 A C 0.545 178.152 177.584 0.038 0.000 1.339 692 A CA -0.329 51.784 52.037 0.127 0.000 0.960 692 A CB -0.202 18.933 19.000 0.225 0.000 1.152 692 A HN 0.579 nan 8.150 nan 0.000 0.547 693 A N 3.418 126.266 122.820 0.046 0.000 2.505 693 A HA 0.498 4.826 4.320 0.013 0.000 0.271 693 A C -0.142 177.560 177.584 0.197 0.000 1.112 693 A CA 0.107 52.124 52.037 -0.032 0.000 0.781 693 A CB -0.981 18.020 19.000 0.002 0.000 1.059 693 A HN 1.329 nan 8.150 nan 0.000 0.508 694 F N 1.087 121.138 119.950 0.168 0.000 2.532 694 F HA 0.875 5.411 4.527 0.014 0.000 0.321 694 F C -0.110 175.786 175.800 0.160 0.000 1.089 694 F CA -1.516 56.603 58.000 0.198 0.000 0.926 694 F CB 1.558 40.606 39.000 0.081 0.000 1.168 694 F HN 0.518 nan 8.300 nan 0.000 0.459 695 R N 1.408 122.208 120.500 0.499 0.000 2.740 695 R HA 0.462 4.810 4.340 0.013 0.000 0.273 695 R C -1.640 174.881 176.300 0.367 0.000 0.998 695 R CA -1.115 55.204 56.100 0.365 0.000 0.900 695 R CB 2.137 32.596 30.300 0.265 0.000 1.223 695 R HN 0.547 nan 8.270 nan 0.000 0.466 696 D N 1.358 121.956 120.400 0.330 0.000 2.388 696 D HA 0.612 5.260 4.640 0.013 0.000 0.254 696 D C -0.616 175.870 176.300 0.310 0.000 1.111 696 D CA -0.345 53.877 54.000 0.370 0.000 0.993 696 D CB 0.959 41.942 40.800 0.305 0.000 1.118 696 D HN 0.358 nan 8.370 nan 0.000 0.502 697 L N -2.421 119.003 121.223 0.334 0.000 3.586 697 L HA 0.645 4.992 4.340 0.013 0.000 0.267 697 L C -1.250 175.761 176.870 0.234 0.000 0.980 697 L CA -0.924 54.061 54.840 0.242 0.000 1.199 697 L CB 0.179 42.362 42.059 0.207 0.000 1.946 697 L HN 0.378 nan 8.230 nan 0.000 0.595 698 A N 2.572 125.487 122.820 0.158 0.000 2.287 698 A HA 0.920 5.247 4.320 0.013 0.000 0.273 698 A C -0.226 177.432 177.584 0.124 0.000 1.091 698 A CA -0.279 51.823 52.037 0.109 0.000 0.817 698 A CB 1.343 20.373 19.000 0.049 0.000 1.069 698 A HN 1.303 nan 8.150 nan 0.000 0.492 699 V N 1.787 121.770 119.914 0.115 0.000 2.498 699 V HA 0.217 4.345 4.120 0.013 0.000 0.283 699 V C -0.136 175.992 176.094 0.057 0.000 1.015 699 V CA -0.588 61.763 62.300 0.085 0.000 0.867 699 V CB 1.057 32.912 31.823 0.054 0.000 1.025 699 V HN 0.803 nan 8.190 nan 0.000 0.441 700 V N 7.176 127.149 119.914 0.098 0.000 2.485 700 V HA 0.431 4.559 4.120 0.013 0.000 0.287 700 V C -0.178 176.007 176.094 0.152 0.000 1.022 700 V CA 0.914 63.297 62.300 0.138 0.000 1.067 700 V CB 1.229 33.160 31.823 0.180 0.000 0.967 700 V HN 0.620 nan 8.190 nan 0.000 0.479 701 V N 8.646 128.595 119.914 0.059 0.000 2.962 701 V HA 0.539 4.666 4.120 0.013 0.000 0.313 701 V C -2.408 173.539 176.094 -0.246 0.000 1.099 701 V CA -1.722 60.555 62.300 -0.039 0.000 0.971 701 V CB 2.629 34.270 31.823 -0.303 0.000 1.028 701 V HN 0.805 nan 8.190 nan 0.000 0.430 702 P HA 0.118 nan 4.420 nan 0.000 0.271 702 P C 0.581 177.747 177.300 -0.224 0.000 1.226 702 P CA 0.183 62.913 63.100 -0.617 0.000 0.765 702 P CB 1.249 32.741 31.700 -0.347 0.000 0.835 703 A N 7.197 129.915 122.820 -0.170 0.000 1.985 703 A HA -0.193 4.135 4.320 0.013 0.000 0.223 703 A C -0.201 177.360 177.584 -0.039 0.000 1.189 703 A CA 2.098 54.094 52.037 -0.069 0.000 0.658 703 A CB -2.461 16.519 19.000 -0.033 0.000 0.820 703 A HN 0.530 nan 8.150 nan 0.000 0.464 704 P HA -0.003 nan 4.420 nan 0.000 0.225 704 P C 0.302 177.608 177.300 0.010 0.000 1.156 704 P CA 0.832 63.928 63.100 -0.006 0.000 0.787 704 P CB -0.503 31.195 31.700 -0.003 0.000 0.802 705 T N 4.051 118.618 114.554 0.021 0.000 2.930 705 T HA 0.183 4.540 4.350 0.013 0.000 0.306 705 T C -2.125 172.593 174.700 0.030 0.000 1.045 705 T CA -0.585 61.547 62.100 0.054 0.000 1.134 705 T CB 0.203 69.140 68.868 0.115 0.000 0.961 705 T HN 0.185 nan 8.240 nan 0.000 0.545 706 P HA 0.142 nan 4.420 nan 0.000 0.292 706 P C 0.154 177.474 177.300 0.034 0.000 1.287 706 P CA -0.677 62.452 63.100 0.047 0.000 0.800 706 P CB 0.771 32.493 31.700 0.037 0.000 0.945 707 Y N 4.258 124.558 120.300 0.000 0.000 2.348 707 Y HA -0.211 4.348 4.550 0.015 0.000 0.285 707 Y C 2.159 178.079 175.900 0.033 0.000 1.173 707 Y CA 2.358 60.461 58.100 0.004 0.000 1.263 707 Y CB -0.947 37.509 38.460 -0.007 0.000 0.974 707 Y HN 0.477 nan 8.280 nan 0.000 0.547 708 G N -0.024 108.638 108.800 -0.230 0.000 2.459 708 G HA2 -0.336 3.632 3.960 0.013 0.000 0.217 708 G HA3 -0.336 3.632 3.960 0.013 0.000 0.217 708 G C 1.572 176.312 174.900 -0.267 0.000 1.183 708 G CA 0.908 45.842 45.100 -0.278 0.000 0.776 708 G HN 0.546 nan 8.290 nan 0.000 0.552 709 E N -0.026 120.086 120.200 -0.146 0.000 2.106 709 E HA -0.095 4.263 4.350 0.013 0.000 0.192 709 E C 2.710 179.246 176.600 -0.106 0.000 0.984 709 E CA 0.993 57.348 56.400 -0.074 0.000 0.806 709 E CB -0.034 29.683 29.700 0.028 0.000 0.750 709 E HN 0.281 nan 8.360 nan 0.000 0.458 710 V N 1.641 121.437 119.914 -0.198 0.000 2.220 710 V HA -0.287 3.841 4.120 0.013 0.000 0.246 710 V C 2.537 178.470 176.094 -0.269 0.000 1.049 710 V CA 2.297 64.445 62.300 -0.254 0.000 1.003 710 V CB -0.812 30.875 31.823 -0.226 0.000 0.634 710 V HN 0.353 nan 8.190 nan 0.000 0.444 711 E N 0.343 120.330 120.200 -0.357 0.000 2.070 711 E HA -0.285 4.073 4.350 0.013 0.000 0.197 711 E C 2.300 178.776 176.600 -0.207 0.000 1.004 711 E CA 1.718 57.953 56.400 -0.276 0.000 0.805 711 E CB -0.274 29.262 29.700 -0.273 0.000 0.744 711 E HN 0.526 nan 8.360 nan 0.000 0.451 712 A N 1.494 124.199 122.820 -0.191 0.000 1.927 712 A HA -0.213 4.115 4.320 0.013 0.000 0.220 712 A C 2.296 179.827 177.584 -0.090 0.000 1.185 712 A CA 1.598 53.566 52.037 -0.113 0.000 0.639 712 A CB -0.726 18.219 19.000 -0.093 0.000 0.820 712 A HN 0.411 nan 8.150 nan 0.000 0.451 713 L N -0.536 120.632 121.223 -0.091 0.000 2.068 713 L HA -0.087 4.261 4.340 0.013 0.000 0.204 713 L C 2.433 179.249 176.870 -0.089 0.000 1.076 713 L CA 1.238 56.045 54.840 -0.055 0.000 0.753 713 L CB -0.213 41.852 42.059 0.010 0.000 0.910 713 L HN 0.247 nan 8.230 nan 0.000 0.439 714 V N 0.363 120.171 119.914 -0.177 0.000 2.233 714 V HA -0.340 3.788 4.120 0.013 0.000 0.247 714 V C 2.672 178.676 176.094 -0.150 0.000 1.050 714 V CA 2.378 64.543 62.300 -0.225 0.000 1.010 714 V CB -0.922 30.595 31.823 -0.510 0.000 0.637 714 V HN 0.546 nan 8.190 nan 0.000 0.444 715 R N 0.051 120.463 120.500 -0.147 0.000 2.096 715 R HA -0.249 4.098 4.340 0.013 0.000 0.240 715 R C 2.412 178.675 176.300 -0.063 0.000 1.139 715 R CA 2.124 58.169 56.100 -0.092 0.000 0.952 715 R CB -0.452 29.809 30.300 -0.064 0.000 0.854 715 R HN 0.532 nan 8.270 nan 0.000 0.436 716 E N 0.705 120.870 120.200 -0.057 0.000 2.019 716 E HA -0.219 4.138 4.350 0.013 0.000 0.208 716 E C 1.611 178.194 176.600 -0.028 0.000 1.030 716 E CA 2.172 58.549 56.400 -0.039 0.000 0.856 716 E CB -0.509 29.170 29.700 -0.035 0.000 0.781 716 E HN 0.494 nan 8.360 nan 0.000 0.471 717 A N 0.293 123.100 122.820 -0.022 0.000 2.206 717 A HA 0.188 4.516 4.320 0.013 0.000 0.211 717 A C 2.096 179.693 177.584 0.022 0.000 1.158 717 A CA 1.260 53.294 52.037 -0.004 0.000 0.761 717 A CB -0.376 18.624 19.000 -0.001 0.000 0.801 717 A HN 0.310 nan 8.150 nan 0.000 0.473 718 A N -0.800 122.031 122.820 0.019 0.000 2.225 718 A HA 0.401 4.728 4.320 0.013 0.000 0.215 718 A C 1.487 179.167 177.584 0.160 0.000 1.164 718 A CA 1.293 53.380 52.037 0.084 0.000 0.710 718 A CB -1.101 17.888 19.000 -0.018 0.000 0.780 718 A HN 2.098 nan 8.150 nan 0.000 0.473 719 G N -1.626 107.212 108.800 0.064 0.000 2.699 719 G HA2 -0.093 3.875 3.960 0.013 0.000 0.686 719 G HA3 -0.093 3.875 3.960 0.013 0.000 0.686 719 G C -1.157 173.739 174.900 -0.007 0.000 1.301 719 G CA -0.219 44.900 45.100 0.032 0.000 0.816 719 G HN 0.185 nan 8.290 nan 0.000 0.595 720 P HA -0.102 nan 4.420 nan 0.000 0.215 720 P C 1.401 178.741 177.300 0.068 0.000 1.157 720 P CA 1.613 64.663 63.100 -0.083 0.000 0.856 720 P CB -0.024 31.558 31.700 -0.197 0.000 0.786 721 Y N -0.461 119.904 120.300 0.107 0.000 2.736 721 Y HA -0.066 4.492 4.550 0.013 0.000 0.298 721 Y C 1.377 177.370 175.900 0.155 0.000 1.156 721 Y CA -1.075 57.115 58.100 0.151 0.000 1.384 721 Y CB -0.505 38.093 38.460 0.231 0.000 0.976 721 Y HN -0.045 nan 8.280 nan 0.000 0.556 722 L N 1.571 122.881 121.223 0.145 0.000 2.369 722 L HA 0.027 4.375 4.340 0.013 0.000 0.279 722 L C 0.876 177.683 176.870 -0.104 0.000 1.108 722 L CA 0.169 54.886 54.840 -0.205 0.000 0.852 722 L CB 0.515 42.391 42.059 -0.304 0.000 1.169 722 L HN 0.127 nan 8.230 nan 0.000 0.452 723 E N 2.553 122.691 120.200 -0.103 0.000 2.022 723 E HA 0.020 4.378 4.350 0.013 0.000 0.193 723 E C 0.336 176.906 176.600 -0.050 0.000 0.969 723 E CA 0.571 56.954 56.400 -0.029 0.000 0.834 723 E CB 0.283 29.998 29.700 0.025 0.000 0.798 723 E HN 0.788 nan 8.360 nan 0.000 0.467 724 S N -0.011 115.656 115.700 -0.054 0.000 2.521 724 S HA 0.477 4.954 4.470 0.013 0.000 0.278 724 S C 0.064 174.644 174.600 -0.033 0.000 1.140 724 S CA -0.719 57.464 58.200 -0.029 0.000 1.028 724 S CB 1.066 64.257 63.200 -0.014 0.000 1.203 724 S HN 0.370 nan 8.310 nan 0.000 0.491 725 L N -1.282 119.966 121.223 0.041 0.000 2.983 725 L HA 0.636 4.984 4.340 0.013 0.000 0.298 725 L C -1.867 175.113 176.870 0.184 0.000 0.892 725 L CA -0.189 54.731 54.840 0.134 0.000 1.067 725 L CB 0.757 42.905 42.059 0.149 0.000 1.649 725 L HN 0.924 nan 8.230 nan 0.000 0.349 726 A N 0.420 123.406 122.820 0.277 0.000 2.630 726 A HA 0.374 4.702 4.320 0.013 0.000 0.310 726 A C -2.304 175.328 177.584 0.080 0.000 0.858 726 A CA -0.136 52.002 52.037 0.168 0.000 0.598 726 A CB -0.096 19.000 19.000 0.160 0.000 1.341 726 A HN 0.643 nan 8.150 nan 0.000 0.407 727 L N 2.438 123.577 121.223 -0.141 0.000 2.401 727 L HA 0.652 4.999 4.340 0.013 0.000 0.263 727 L C 0.174 176.872 176.870 -0.286 0.000 1.004 727 L CA -0.758 53.787 54.840 -0.492 0.000 0.881 727 L CB 0.708 42.323 42.059 -0.739 0.000 1.219 727 L HN 1.134 nan 8.230 nan 0.000 0.441 728 F N 1.336 121.083 119.950 -0.338 0.000 2.797 728 F HA 0.449 4.982 4.527 0.011 0.000 0.302 728 F C 0.185 175.833 175.800 -0.253 0.000 1.130 728 F CA -0.346 57.497 58.000 -0.262 0.000 1.387 728 F CB 0.137 38.958 39.000 -0.299 0.000 1.107 728 F HN 0.324 nan 8.300 nan 0.000 0.577 729 D N 0.765 120.770 120.400 -0.659 0.000 2.820 729 D HA 0.139 4.787 4.640 0.013 0.000 0.244 729 D C -2.292 173.732 176.300 -0.460 0.000 1.106 729 D CA -0.474 53.231 54.000 -0.492 0.000 0.741 729 D CB 1.657 42.195 40.800 -0.437 0.000 2.042 729 D HN 0.153 nan 8.370 nan 0.000 0.459 730 L N 4.469 125.522 121.223 -0.283 0.000 2.319 730 L HA 0.596 4.944 4.340 0.013 0.000 0.281 730 L C -2.004 174.842 176.870 -0.041 0.000 1.005 730 L CA -0.500 54.223 54.840 -0.196 0.000 0.828 730 L CB 1.189 43.122 42.059 -0.210 0.000 1.227 730 L HN 0.394 nan 8.230 nan 0.000 0.415 731 Y N 3.926 124.130 120.300 -0.160 0.000 2.331 731 Y HA 0.479 5.032 4.550 0.005 0.000 0.334 731 Y C -0.589 175.273 175.900 -0.062 0.000 0.960 731 Y CA -0.411 57.626 58.100 -0.105 0.000 1.130 731 Y CB 1.492 39.895 38.460 -0.095 0.000 1.164 731 Y HN 0.728 nan 8.280 nan 0.000 0.458 732 Q N 5.143 124.647 119.800 -0.494 0.000 2.700 732 Q HA 0.554 4.902 4.340 0.013 0.000 0.249 732 Q C -0.849 174.726 176.000 -0.709 0.000 1.033 732 Q CA -0.400 55.149 55.803 -0.422 0.000 0.804 732 Q CB 0.416 29.023 28.738 -0.219 0.000 1.164 732 Q HN 1.004 nan 8.270 nan 0.000 0.500 733 G N 1.776 109.976 108.800 -0.999 0.000 3.022 733 G HA2 0.413 4.381 3.960 0.013 0.000 0.284 733 G HA3 0.413 4.381 3.960 0.013 0.000 0.284 733 G C -2.431 172.338 174.900 -0.217 0.000 1.375 733 G CA -1.283 43.352 45.100 -0.775 0.000 0.902 733 G HN 0.250 nan 8.290 nan 0.000 0.538 734 P HA -0.099 nan 4.420 nan 0.000 0.210 734 P C -1.191 176.140 177.300 0.052 0.000 1.151 734 P CA 2.266 65.383 63.100 0.029 0.000 0.949 734 P CB -0.557 31.185 31.700 0.069 0.000 0.786 735 P HA -0.056 nan 4.420 nan 0.000 0.278 735 P C -0.328 177.014 177.300 0.069 0.000 1.366 735 P CA 1.097 64.248 63.100 0.085 0.000 0.750 735 P CB -0.602 31.160 31.700 0.103 0.000 1.271 736 L N -0.757 120.493 121.223 0.046 0.000 2.370 736 L HA 0.505 4.853 4.340 0.013 0.000 0.266 736 L C -2.122 174.725 176.870 -0.038 0.000 1.002 736 L CA -2.849 52.003 54.840 0.021 0.000 0.818 736 L CB 1.479 43.569 42.059 0.051 0.000 1.325 736 L HN -0.318 nan 8.230 nan 0.000 0.418 737 P HA -0.077 nan 4.420 nan 0.000 0.273 737 P C -0.676 176.542 177.300 -0.136 0.000 1.248 737 P CA -0.229 62.731 63.100 -0.234 0.000 0.817 737 P CB 0.408 31.744 31.700 -0.608 0.000 0.995 738 E N -0.080 120.058 120.200 -0.104 0.000 2.366 738 E HA 0.283 4.640 4.350 0.013 0.000 0.266 738 E C 0.338 177.034 176.600 0.159 0.000 1.051 738 E CA -0.083 56.324 56.400 0.011 0.000 0.884 738 E CB -0.192 29.514 29.700 0.009 0.000 1.006 738 E HN 0.685 nan 8.360 nan 0.000 0.417 739 G N 3.303 112.180 108.800 0.128 0.000 2.395 739 G HA2 -0.254 3.714 3.960 0.013 0.000 0.292 739 G HA3 -0.254 3.714 3.960 0.013 0.000 0.292 739 G C -0.687 174.361 174.900 0.247 0.000 0.953 739 G CA 1.008 46.194 45.100 0.142 0.000 1.207 739 G HN 0.647 nan 8.290 nan 0.000 0.503 740 H N -0.674 118.388 119.070 -0.015 0.000 2.977 740 H HA 0.796 5.359 4.556 0.012 0.000 0.350 740 H C 0.201 175.507 175.328 -0.036 0.000 1.238 740 H CA -0.228 55.818 56.048 -0.003 0.000 1.124 740 H CB 1.852 31.622 29.762 0.014 0.000 1.866 740 H HN 0.562 nan 8.280 nan 0.000 0.550 741 K N -0.692 119.742 120.400 0.058 0.000 2.562 741 K HA 0.632 4.960 4.320 0.013 0.000 0.267 741 K C -1.511 175.103 176.600 0.022 0.000 0.938 741 K CA -1.018 55.267 56.287 -0.003 0.000 0.840 741 K CB 2.000 34.470 32.500 -0.050 0.000 1.390 741 K HN 0.548 nan 8.250 nan 0.000 0.428 742 S N 1.758 117.480 115.700 0.037 0.000 2.472 742 S HA 0.641 5.119 4.470 0.013 0.000 0.303 742 S C -0.687 173.893 174.600 -0.033 0.000 1.099 742 S CA -0.946 57.276 58.200 0.038 0.000 1.077 742 S CB 0.790 64.042 63.200 0.087 0.000 1.031 742 S HN 0.404 nan 8.310 nan 0.000 0.487 743 L N 2.531 123.734 121.223 -0.033 0.000 2.294 743 L HA 0.667 5.015 4.340 0.013 0.000 0.283 743 L C 0.219 177.002 176.870 -0.146 0.000 1.015 743 L CA -0.603 54.154 54.840 -0.139 0.000 0.831 743 L CB 0.989 43.068 42.059 0.033 0.000 1.217 743 L HN 0.971 nan 8.230 nan 0.000 0.420 744 A N 4.003 126.537 122.820 -0.476 0.000 2.252 744 A HA 0.738 5.066 4.320 0.013 0.000 0.309 744 A C -0.750 176.444 177.584 -0.651 0.000 1.285 744 A CA -0.202 51.501 52.037 -0.557 0.000 0.900 744 A CB -0.202 18.147 19.000 -1.085 0.000 1.157 744 A HN 0.413 nan 8.150 nan 0.000 0.536 745 F N 0.316 120.250 119.950 -0.026 0.000 2.425 745 F HA 0.345 4.881 4.527 0.015 0.000 0.331 745 F C 0.745 176.818 175.800 0.456 0.000 1.085 745 F CA -0.096 58.017 58.000 0.189 0.000 1.028 745 F CB 1.537 40.621 39.000 0.140 0.000 1.177 745 F HN 0.622 nan 8.300 nan 0.000 0.487 746 H N 3.094 122.480 119.070 0.527 0.000 2.680 746 H HA 0.372 4.936 4.556 0.013 0.000 0.260 746 H C -0.649 174.770 175.328 0.152 0.000 1.328 746 H CA -0.823 55.349 56.048 0.207 0.000 1.269 746 H CB 0.470 30.197 29.762 -0.059 0.000 1.446 746 H HN 0.313 nan 8.280 nan 0.000 0.527 747 L N 2.333 123.746 121.223 0.318 0.000 2.475 747 L HA 0.360 4.707 4.340 0.013 0.000 0.253 747 L C 0.328 177.288 176.870 0.149 0.000 1.198 747 L CA 0.095 55.029 54.840 0.157 0.000 0.814 747 L CB 0.474 42.618 42.059 0.142 0.000 1.134 747 L HN 0.531 nan 8.230 nan 0.000 0.478 748 R N 0.342 120.824 120.500 -0.030 0.000 2.603 748 R HA 0.413 4.761 4.340 0.013 0.000 0.280 748 R C -1.892 174.378 176.300 -0.051 0.000 1.185 748 R CA -0.409 55.785 56.100 0.157 0.000 1.039 748 R CB 0.703 31.090 30.300 0.144 0.000 1.247 748 R HN 0.337 nan 8.270 nan 0.000 0.413 749 F N 2.212 122.267 119.950 0.175 0.000 2.497 749 F HA 0.692 5.226 4.527 0.012 0.000 0.331 749 F C 0.407 176.277 175.800 0.117 0.000 1.060 749 F CA -0.788 57.300 58.000 0.146 0.000 0.989 749 F CB 1.612 40.700 39.000 0.146 0.000 1.245 749 F HN 0.364 nan 8.300 nan 0.000 0.486 750 R N 0.435 121.110 120.500 0.292 0.000 2.644 750 R HA 0.198 4.545 4.340 0.013 0.000 0.257 750 R C -2.041 174.302 176.300 0.072 0.000 1.082 750 R CA -0.670 55.528 56.100 0.163 0.000 0.927 750 R CB 1.337 31.715 30.300 0.130 0.000 1.258 750 R HN 0.835 nan 8.270 nan 0.000 0.459 751 H N 4.632 123.632 119.070 -0.117 0.000 2.472 751 H HA 0.367 4.930 4.556 0.013 0.000 0.338 751 H C -2.160 173.064 175.328 -0.173 0.000 1.133 751 H CA -2.136 53.738 56.048 -0.289 0.000 1.216 751 H CB 2.351 31.865 29.762 -0.413 0.000 1.497 751 H HN 0.369 nan 8.280 nan 0.000 0.500 752 P HA -0.104 nan 4.420 nan 0.000 0.212 752 P C 1.311 178.564 177.300 -0.078 0.000 1.180 752 P CA 1.595 64.598 63.100 -0.161 0.000 0.906 752 P CB 0.460 32.019 31.700 -0.235 0.000 0.782 753 K N -0.731 119.657 120.400 -0.021 0.000 2.044 753 K HA -0.053 4.274 4.320 0.013 0.000 0.204 753 K C 0.592 176.785 176.600 -0.677 0.000 1.049 753 K CA 0.919 57.105 56.287 -0.168 0.000 0.945 753 K CB 0.135 32.644 32.500 0.013 0.000 0.724 753 K HN 0.012 nan 8.250 nan 0.000 0.440 754 R N -0.809 119.390 120.500 -0.502 0.000 2.905 754 R HA 0.408 4.755 4.340 0.013 0.000 0.260 754 R C -0.731 175.329 176.300 -0.400 0.000 1.086 754 R CA -0.846 54.916 56.100 -0.564 0.000 0.978 754 R CB 0.071 30.147 30.300 -0.373 0.000 1.215 754 R HN -0.194 nan 8.270 nan 0.000 0.480 755 T N 0.591 115.051 114.554 -0.156 0.000 2.748 755 T HA 0.315 4.673 4.350 0.013 0.000 0.304 755 T C 0.149 174.735 174.700 -0.189 0.000 1.041 755 T CA -0.185 61.866 62.100 -0.081 0.000 1.033 755 T CB 0.191 69.044 68.868 -0.025 0.000 0.995 755 T HN 0.261 nan 8.240 nan 0.000 0.536 756 L N 0.886 122.034 121.223 -0.124 0.000 2.333 756 L HA 0.581 4.928 4.340 0.013 0.000 0.269 756 L C 0.292 177.105 176.870 -0.095 0.000 1.010 756 L CA -1.227 53.533 54.840 -0.133 0.000 0.818 756 L CB 1.645 43.650 42.059 -0.091 0.000 1.306 756 L HN 0.329 nan 8.230 nan 0.000 0.430 757 R N 1.110 121.557 120.500 -0.088 0.000 2.428 757 R HA 0.085 4.432 4.340 0.013 0.000 0.294 757 R C 0.471 176.727 176.300 -0.073 0.000 1.000 757 R CA -0.256 55.800 56.100 -0.072 0.000 0.960 757 R CB 1.264 31.527 30.300 -0.062 0.000 1.076 757 R HN 0.644 nan 8.270 nan 0.000 0.475 758 D N 2.126 122.482 120.400 -0.073 0.000 2.354 758 D HA -0.201 4.447 4.640 0.013 0.000 0.216 758 D C 0.997 177.252 176.300 -0.075 0.000 0.970 758 D CA 1.155 55.105 54.000 -0.082 0.000 0.905 758 D CB 0.572 41.332 40.800 -0.066 0.000 0.903 758 D HN 0.633 nan 8.370 nan 0.000 0.508 759 E N 0.477 120.642 120.200 -0.057 0.000 2.274 759 E HA -0.127 4.230 4.350 0.013 0.000 0.194 759 E C 1.635 178.208 176.600 -0.045 0.000 0.996 759 E CA 1.023 57.397 56.400 -0.044 0.000 0.840 759 E CB -0.327 29.354 29.700 -0.032 0.000 0.772 759 E HN 0.350 nan 8.360 nan 0.000 0.491 760 E N 0.535 120.705 120.200 -0.050 0.000 2.086 760 E HA -0.057 4.301 4.350 0.013 0.000 0.190 760 E C 2.211 178.756 176.600 -0.092 0.000 0.975 760 E CA 0.883 57.266 56.400 -0.028 0.000 0.813 760 E CB -0.142 29.567 29.700 0.015 0.000 0.768 760 E HN 0.180 nan 8.360 nan 0.000 0.457 761 V N 1.896 121.698 119.914 -0.187 0.000 2.295 761 V HA -0.238 3.890 4.120 0.013 0.000 0.246 761 V C 2.142 178.055 176.094 -0.302 0.000 1.049 761 V CA 1.894 63.944 62.300 -0.417 0.000 1.024 761 V CB -0.152 31.398 31.823 -0.455 0.000 0.648 761 V HN 0.175 nan 8.190 nan 0.000 0.447 762 E N 0.024 120.127 120.200 -0.162 0.000 2.058 762 E HA -0.256 4.101 4.350 0.013 0.000 0.194 762 E C 2.136 178.697 176.600 -0.065 0.000 0.997 762 E CA 1.674 58.020 56.400 -0.091 0.000 0.801 762 E CB -0.385 29.283 29.700 -0.054 0.000 0.746 762 E HN 0.718 nan 8.360 nan 0.000 0.450 763 E N -0.320 119.846 120.200 -0.057 0.000 2.501 763 E HA -0.103 4.255 4.350 0.013 0.000 0.203 763 E C 1.063 177.647 176.600 -0.026 0.000 1.072 763 E CA 0.805 57.187 56.400 -0.030 0.000 0.885 763 E CB 0.036 29.724 29.700 -0.019 0.000 0.813 763 E HN 0.259 nan 8.360 nan 0.000 0.556 764 A N -1.040 121.748 122.820 -0.053 0.000 1.995 764 A HA 0.075 4.403 4.320 0.013 0.000 0.200 764 A C 2.098 179.702 177.584 0.032 0.000 1.566 764 A CA 0.438 52.470 52.037 -0.008 0.000 0.895 764 A CB -0.536 18.443 19.000 -0.035 0.000 1.046 764 A HN 0.261 nan 8.150 nan 0.000 0.523 765 V N -0.884 119.012 119.914 -0.029 0.000 2.546 765 V HA -0.200 3.928 4.120 0.013 0.000 0.254 765 V C 1.968 178.094 176.094 0.053 0.000 1.076 765 V CA 2.912 65.248 62.300 0.059 0.000 1.087 765 V CB -1.107 30.727 31.823 0.019 0.000 0.674 765 V HN 0.335 nan 8.190 nan 0.000 0.470 766 S N 0.402 116.115 115.700 0.022 0.000 2.336 766 S HA -0.011 4.466 4.470 0.013 0.000 0.216 766 S C 2.007 176.624 174.600 0.028 0.000 1.032 766 S CA 1.084 59.297 58.200 0.023 0.000 0.973 766 S CB -0.421 62.784 63.200 0.008 0.000 0.888 766 S HN 0.549 nan 8.310 nan 0.000 0.455 767 R N 1.147 121.661 120.500 0.024 0.000 2.185 767 R HA -0.085 4.263 4.340 0.013 0.000 0.247 767 R C 2.031 178.349 176.300 0.030 0.000 1.159 767 R CA 0.884 56.998 56.100 0.023 0.000 0.988 767 R CB -1.283 29.029 30.300 0.021 0.000 0.871 767 R HN 0.363 nan 8.270 nan 0.000 0.458 768 V N 0.320 120.261 119.914 0.045 0.000 2.591 768 V HA -0.055 4.072 4.120 0.013 0.000 0.249 768 V C 2.387 178.503 176.094 0.036 0.000 1.053 768 V CA 1.469 63.792 62.300 0.038 0.000 1.068 768 V CB -0.492 31.365 31.823 0.056 0.000 0.689 768 V HN 0.281 nan 8.190 nan 0.000 0.462 769 A N -0.086 122.760 122.820 0.043 0.000 2.021 769 A HA -0.050 4.278 4.320 0.013 0.000 0.216 769 A C 2.141 179.752 177.584 0.044 0.000 1.163 769 A CA 0.868 52.935 52.037 0.049 0.000 0.676 769 A CB -0.179 18.850 19.000 0.049 0.000 0.818 769 A HN 0.497 nan 8.150 nan 0.000 0.453 770 E N 0.550 120.769 120.200 0.032 0.000 2.046 770 E HA -0.061 4.297 4.350 0.013 0.000 0.190 770 E C 2.146 178.758 176.600 0.021 0.000 0.982 770 E CA 1.359 57.773 56.400 0.023 0.000 0.800 770 E CB -0.891 28.818 29.700 0.015 0.000 0.756 770 E HN 0.527 nan 8.360 nan 0.000 0.449 771 A N 0.890 123.724 122.820 0.022 0.000 2.066 771 A HA -0.041 4.287 4.320 0.013 0.000 0.218 771 A C 2.105 179.714 177.584 0.041 0.000 1.157 771 A CA 0.546 52.594 52.037 0.019 0.000 0.670 771 A CB -0.348 18.661 19.000 0.014 0.000 0.804 771 A HN 0.132 nan 8.150 nan 0.000 0.453 772 L N -0.023 121.241 121.223 0.069 0.000 2.465 772 L HA -0.050 4.297 4.340 0.013 0.000 0.224 772 L C 2.504 179.444 176.870 0.117 0.000 1.145 772 L CA 1.811 56.738 54.840 0.144 0.000 0.834 772 L CB -0.391 41.745 42.059 0.129 0.000 0.944 772 L HN 0.653 nan 8.230 nan 0.000 0.451 773 R N -1.698 118.833 120.500 0.051 0.000 2.121 773 R HA 0.232 4.580 4.340 0.013 0.000 0.206 773 R C 2.136 178.422 176.300 -0.023 0.000 1.094 773 R CA 0.800 56.913 56.100 0.022 0.000 1.055 773 R CB -0.790 29.526 30.300 0.027 0.000 0.964 773 R HN 0.016 nan 8.270 nan 0.000 0.473 774 A N 2.047 124.856 122.820 -0.019 0.000 1.986 774 A HA -0.184 4.143 4.320 0.013 0.000 0.220 774 A C 2.265 179.806 177.584 -0.070 0.000 1.171 774 A CA 1.519 53.535 52.037 -0.035 0.000 0.640 774 A CB -0.622 18.364 19.000 -0.023 0.000 0.811 774 A HN 0.322 nan 8.150 nan 0.000 0.451 775 R N -0.640 119.801 120.500 -0.097 0.000 2.054 775 R HA 0.076 4.424 4.340 0.013 0.000 0.223 775 R C 1.179 177.299 176.300 -0.299 0.000 1.176 775 R CA 1.891 57.876 56.100 -0.192 0.000 0.934 775 R CB -0.660 29.515 30.300 -0.207 0.000 0.828 775 R HN 0.766 nan 8.270 nan 0.000 0.441 776 G N -0.209 108.347 108.800 -0.406 0.000 3.977 776 G HA2 0.104 4.072 3.960 0.013 0.000 0.224 776 G HA3 0.104 4.072 3.960 0.013 0.000 0.224 776 G C -0.920 173.739 174.900 -0.401 0.000 0.978 776 G CA -0.635 44.238 45.100 -0.379 0.000 1.222 776 G HN 0.136 nan 8.290 nan 0.000 0.696 777 F N 0.683 120.646 119.950 0.022 0.000 2.561 777 F HA 0.823 5.358 4.527 0.014 0.000 0.321 777 F C 0.995 176.824 175.800 0.049 0.000 1.065 777 F CA -0.561 57.460 58.000 0.036 0.000 0.934 777 F CB 1.627 40.639 39.000 0.020 0.000 1.215 777 F HN 0.152 nan 8.300 nan 0.000 0.471 778 G N 0.212 109.189 108.800 0.297 0.000 2.510 778 G HA2 0.534 4.502 3.960 0.013 0.000 0.280 778 G HA3 0.534 4.502 3.960 0.013 0.000 0.280 778 G C -1.741 173.249 174.900 0.150 0.000 1.386 778 G CA -0.436 44.773 45.100 0.182 0.000 1.047 778 G HN 0.601 nan 8.290 nan 0.000 0.527 779 L N -0.785 120.505 121.223 0.112 0.000 2.491 779 L HA 0.380 4.728 4.340 0.013 0.000 0.260 779 L C 1.428 178.348 176.870 0.084 0.000 1.200 779 L CA -0.386 54.512 54.840 0.096 0.000 0.882 779 L CB 0.548 42.659 42.059 0.087 0.000 1.058 779 L HN 0.731 nan 8.230 nan 0.000 0.487 780 R N 1.803 122.354 120.500 0.085 0.000 2.159 780 R HA 0.017 4.364 4.340 0.013 0.000 0.252 780 R C 0.662 177.003 176.300 0.068 0.000 1.144 780 R CA 1.946 58.091 56.100 0.074 0.000 0.961 780 R CB 0.129 30.473 30.300 0.074 0.000 0.877 780 R HN 0.816 nan 8.270 nan 0.000 0.444 781 G N 0.000 108.846 108.800 0.077 0.000 5.446 781 G HA2 0.000 3.968 3.960 0.013 0.000 0.244 781 G HA3 0.000 3.968 3.960 0.013 0.000 0.244 781 G CA 0.000 nan 45.100 nan 0.000 0.502 781 G HN 0.000 nan 8.290 nan 0.000 0.925