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 1jjc_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 EEVARIQGYE TIPLALPAFF PAPDNRGVEA PYRKEQRLRE DATA SEQUENCE VLSGLGFQEV YTYSFMDPED ARRFRLDPPR LLLLNPLAPE KAALRTHLFP DATA SEQUENCE GLVRVLKENL DLDRPERALL FEVGRVFRER EETHLAGLLF GEGVGLPWAK DATA SEQUENCE ERLSGYFLLK GYLEALFARL GLAFRVEAQA FPFLHPGVSG RVLVEGEEVG DATA SEQUENCE FLGALHPEIA QELELPPVHL FELRLPLPDK PLAFQDPSRH PAAFRDLAVV DATA SEQUENCE VPAPTPYGEV EALVREAAGP YLESLALFDL YQGPPLPEGH KSLAFHLRFR DATA SEQUENCE HPKRTLRDEE VEEAVSRVAE ALRARGFGLR GLDTP 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 0.000 176.266 176.300 -0.056 0.000 1.140 1 M CA 0.000 55.269 55.300 -0.052 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 R N 2.620 123.090 120.500 -0.050 0.000 2.389 2 R HA 0.554 4.896 4.340 0.004 0.000 0.295 2 R C -1.008 175.245 176.300 -0.079 0.000 1.075 2 R CA -0.437 55.644 56.100 -0.032 0.000 1.005 2 R CB 1.122 31.433 30.300 0.018 0.000 0.987 2 R HN 0.448 nan 8.270 nan 0.000 0.452 3 V N 5.845 125.721 119.914 -0.064 0.000 2.305 3 V HA 0.227 4.350 4.120 0.004 0.000 0.275 3 V C -2.263 173.825 176.094 -0.011 0.000 1.020 3 V CA -2.129 60.111 62.300 -0.100 0.000 0.811 3 V CB 1.514 33.269 31.823 -0.113 0.000 1.031 3 V HN 0.634 nan 8.190 nan 0.000 0.439 4 P HA 0.171 nan 4.420 nan 0.000 0.275 4 P C 0.634 178.024 177.300 0.151 0.000 1.276 4 P CA -0.149 63.043 63.100 0.153 0.000 0.782 4 P CB 0.458 32.348 31.700 0.317 0.000 0.851 5 F N 4.227 124.189 119.950 0.020 0.000 2.063 5 F HA -0.327 4.202 4.527 0.004 0.000 0.298 5 F C 2.225 178.042 175.800 0.028 0.000 1.105 5 F CA 2.782 60.783 58.000 0.002 0.000 1.215 5 F CB -0.700 38.295 39.000 -0.009 0.000 0.972 5 F HN 0.288 nan 8.300 nan 0.000 0.483 6 S N -0.602 115.148 115.700 0.084 0.000 2.447 6 S HA -0.227 4.245 4.470 0.004 0.000 0.233 6 S C 1.953 176.543 174.600 -0.016 0.000 1.006 6 S CA 0.834 59.021 58.200 -0.021 0.000 0.957 6 S CB -1.244 62.012 63.200 0.093 0.000 0.773 6 S HN 0.675 nan 8.310 nan 0.000 0.507 7 W N 1.988 123.196 121.300 -0.153 0.000 2.441 7 W HA 0.202 4.864 4.660 0.004 0.000 0.302 7 W C 1.829 178.136 176.519 -0.352 0.000 1.191 7 W CA 0.275 57.509 57.345 -0.184 0.000 1.327 7 W CB -0.939 28.489 29.460 -0.054 0.000 1.128 7 W HN 0.398 nan 8.180 nan 0.000 0.522 8 L N 2.053 123.215 121.223 -0.102 0.000 2.083 8 L HA -0.140 4.203 4.340 0.004 0.000 0.209 8 L C 2.403 179.100 176.870 -0.289 0.000 1.083 8 L CA 2.059 56.779 54.840 -0.200 0.000 0.752 8 L CB -1.032 40.886 42.059 -0.235 0.000 0.899 8 L HN -0.138 nan 8.230 nan 0.000 0.433 9 K N -0.897 119.255 120.400 -0.413 0.000 2.281 9 K HA -0.123 4.200 4.320 0.004 0.000 0.203 9 K C 1.916 178.340 176.600 -0.294 0.000 1.046 9 K CA 0.941 56.983 56.287 -0.408 0.000 0.938 9 K CB -0.138 32.065 32.500 -0.496 0.000 0.737 9 K HN 0.506 nan 8.250 nan 0.000 0.458 10 A N 0.002 122.603 122.820 -0.365 0.000 2.015 10 A HA -0.140 4.182 4.320 0.004 0.000 0.219 10 A C 1.287 178.642 177.584 -0.382 0.000 1.163 10 A CA 1.142 52.931 52.037 -0.413 0.000 0.646 10 A CB -0.317 18.364 19.000 -0.531 0.000 0.806 10 A HN 0.299 nan 8.150 nan 0.000 0.448 11 Y N -1.543 118.726 120.300 -0.052 0.000 2.522 11 Y HA 0.261 4.814 4.550 0.004 0.000 0.277 11 Y C 0.642 176.492 175.900 -0.083 0.000 1.104 11 Y CA -0.275 57.784 58.100 -0.068 0.000 1.260 11 Y CB 0.245 38.653 38.460 -0.087 0.000 1.151 11 Y HN -0.019 nan 8.280 nan 0.000 0.539 12 V N 3.672 123.578 119.914 -0.013 0.000 2.271 12 V HA 0.186 4.308 4.120 0.004 0.000 0.259 12 V C -1.673 174.362 176.094 -0.098 0.000 1.030 12 V CA -1.378 60.886 62.300 -0.060 0.000 0.957 12 V CB 0.913 32.626 31.823 -0.183 0.000 1.186 12 V HN 0.026 nan 8.190 nan 0.000 0.471 13 P HA -0.188 nan 4.420 nan 0.000 0.217 13 P C 0.902 178.204 177.300 0.003 0.000 1.148 13 P CA 1.356 64.429 63.100 -0.046 0.000 0.828 13 P CB 0.574 32.262 31.700 -0.021 0.000 0.783 14 E N -0.572 119.678 120.200 0.084 0.000 2.502 14 E HA 0.090 4.443 4.350 0.004 0.000 0.194 14 E C 0.627 177.367 176.600 0.233 0.000 1.062 14 E CA -0.383 56.118 56.400 0.168 0.000 0.867 14 E CB -0.348 29.492 29.700 0.234 0.000 0.888 14 E HN 0.309 nan 8.360 nan 0.000 0.510 15 L N 1.848 123.126 121.223 0.091 0.000 2.615 15 L HA -0.119 4.223 4.340 0.004 0.000 0.284 15 L C 1.238 178.268 176.870 0.267 0.000 1.237 15 L CA 0.110 55.009 54.840 0.099 0.000 0.905 15 L CB 0.427 42.413 42.059 -0.121 0.000 1.149 15 L HN 0.099 nan 8.230 nan 0.000 0.499 16 E N 1.228 121.604 120.200 0.293 0.000 2.107 16 E HA -0.053 4.299 4.350 0.004 0.000 0.191 16 E C 0.219 176.934 176.600 0.191 0.000 0.982 16 E CA 0.977 57.509 56.400 0.219 0.000 0.809 16 E CB 0.201 30.003 29.700 0.170 0.000 0.756 16 E HN 0.752 nan 8.360 nan 0.000 0.459 17 S N -3.367 112.451 115.700 0.196 0.000 2.707 17 S HA 0.157 4.629 4.470 0.004 0.000 0.270 17 S C -2.655 171.731 174.600 -0.358 0.000 1.031 17 S CA -1.107 56.998 58.200 -0.159 0.000 0.866 17 S CB 0.729 63.854 63.200 -0.124 0.000 1.114 17 S HN -0.266 nan 8.310 nan 0.000 0.465 18 P HA -0.037 nan 4.420 nan 0.000 0.216 18 P C 1.030 178.242 177.300 -0.148 0.000 1.150 18 P CA 1.619 64.420 63.100 -0.499 0.000 0.837 18 P CB -0.006 31.383 31.700 -0.518 0.000 0.786 19 E N -0.771 119.349 120.200 -0.133 0.000 2.051 19 E HA -0.115 4.237 4.350 0.004 0.000 0.192 19 E C 2.042 178.641 176.600 -0.002 0.000 0.991 19 E CA 0.949 57.317 56.400 -0.052 0.000 0.799 19 E CB -1.462 28.209 29.700 -0.049 0.000 0.748 19 E HN 0.008 nan 8.360 nan 0.000 0.449 20 V N 0.936 120.861 119.914 0.019 0.000 2.490 20 V HA -0.199 3.923 4.120 0.004 0.000 0.250 20 V C 2.176 178.327 176.094 0.094 0.000 1.061 20 V CA 1.333 63.674 62.300 0.069 0.000 1.064 20 V CB -0.426 31.459 31.823 0.104 0.000 0.670 20 V HN 0.216 nan 8.190 nan 0.000 0.461 21 L N 0.722 122.007 121.223 0.104 0.000 2.046 21 L HA -0.188 4.155 4.340 0.004 0.000 0.208 21 L C 2.442 179.353 176.870 0.068 0.000 1.077 21 L CA 2.477 57.381 54.840 0.106 0.000 0.747 21 L CB -0.800 41.380 42.059 0.203 0.000 0.896 21 L HN 0.512 nan 8.230 nan 0.000 0.432 22 E N -0.539 119.692 120.200 0.051 0.000 2.085 22 E HA -0.274 4.079 4.350 0.004 0.000 0.194 22 E C 1.926 178.554 176.600 0.047 0.000 0.994 22 E CA 1.673 58.098 56.400 0.040 0.000 0.801 22 E CB -0.141 29.571 29.700 0.021 0.000 0.743 22 E HN 0.703 nan 8.360 nan 0.000 0.453 23 E N -0.122 120.107 120.200 0.048 0.000 2.072 23 E HA -0.155 4.198 4.350 0.004 0.000 0.191 23 E C 2.314 178.950 176.600 0.060 0.000 0.985 23 E CA 0.696 57.125 56.400 0.048 0.000 0.801 23 E CB 0.027 29.756 29.700 0.048 0.000 0.750 23 E HN 0.153 nan 8.360 nan 0.000 0.452 24 R N 0.698 121.247 120.500 0.083 0.000 2.083 24 R HA -0.114 4.228 4.340 0.004 0.000 0.237 24 R C 2.465 178.821 176.300 0.093 0.000 1.137 24 R CA 1.008 57.169 56.100 0.102 0.000 0.951 24 R CB -0.906 29.473 30.300 0.132 0.000 0.851 24 R HN 0.269 nan 8.270 nan 0.000 0.434 25 L N 0.383 121.664 121.223 0.096 0.000 2.083 25 L HA -0.103 4.239 4.340 0.004 0.000 0.209 25 L C 2.683 179.648 176.870 0.158 0.000 1.083 25 L CA 1.240 56.182 54.840 0.169 0.000 0.752 25 L CB -0.707 41.429 42.059 0.129 0.000 0.899 25 L HN 0.156 nan 8.230 nan 0.000 0.433 26 A N 0.470 123.336 122.820 0.077 0.000 1.902 26 A HA -0.140 4.182 4.320 0.004 0.000 0.217 26 A C 2.358 179.912 177.584 -0.051 0.000 1.181 26 A CA 1.804 53.852 52.037 0.019 0.000 0.623 26 A CB -1.170 17.839 19.000 0.015 0.000 0.818 26 A HN 0.445 nan 8.150 nan 0.000 0.443 27 G N -0.928 107.850 108.800 -0.037 0.000 2.534 27 G HA2 0.057 4.019 3.960 0.004 0.000 0.217 27 G HA3 0.057 4.019 3.960 0.004 0.000 0.217 27 G C 1.367 176.170 174.900 -0.161 0.000 1.128 27 G CA 0.699 45.740 45.100 -0.098 0.000 0.784 27 G HN 0.434 nan 8.290 nan 0.000 0.542 28 L N -0.458 120.718 121.223 -0.079 0.000 2.446 28 L HA 0.290 4.633 4.340 0.004 0.000 0.219 28 L C 1.835 178.487 176.870 -0.364 0.000 1.116 28 L CA 0.674 55.460 54.840 -0.089 0.000 0.844 28 L CB 0.315 42.477 42.059 0.171 0.000 0.970 28 L HN 0.347 nan 8.230 nan 0.000 0.457 29 G N -0.424 108.118 108.800 -0.429 0.000 2.145 29 G HA2 -0.196 3.766 3.960 0.004 0.000 0.145 29 G HA3 -0.196 3.766 3.960 0.004 0.000 0.145 29 G C -0.349 174.077 174.900 -0.790 0.000 1.017 29 G CA -0.773 43.952 45.100 -0.626 0.000 0.682 29 G HN 0.090 nan 8.290 nan 0.000 0.504 30 F N 1.023 120.940 119.950 -0.055 0.000 2.553 30 F HA 0.546 5.076 4.527 0.004 0.000 0.335 30 F C 0.179 175.962 175.800 -0.029 0.000 1.148 30 F CA -1.228 56.750 58.000 -0.037 0.000 0.963 30 F CB 1.845 40.822 39.000 -0.037 0.000 1.217 30 F HN 0.135 nan 8.300 nan 0.000 0.441 31 E N 1.951 122.224 120.200 0.121 0.000 2.259 31 E HA 0.294 4.647 4.350 0.004 0.000 0.281 31 E C -0.325 176.318 176.600 0.072 0.000 1.027 31 E CA -0.407 56.035 56.400 0.070 0.000 0.838 31 E CB 1.109 30.831 29.700 0.037 0.000 1.066 31 E HN 0.606 nan 8.360 nan 0.000 0.401 32 T N 2.071 116.656 114.554 0.052 0.000 2.744 32 T HA 0.169 4.521 4.350 0.004 0.000 0.291 32 T C 0.289 175.005 174.700 0.025 0.000 0.957 32 T CA -0.757 61.365 62.100 0.036 0.000 1.002 32 T CB 1.029 69.913 68.868 0.027 0.000 0.919 32 T HN 0.410 nan 8.240 nan 0.000 0.468 33 D N 2.900 123.314 120.400 0.022 0.000 2.348 33 D HA 0.096 4.739 4.640 0.004 0.000 0.211 33 D C 0.865 177.171 176.300 0.011 0.000 0.998 33 D CA 0.414 54.424 54.000 0.017 0.000 0.873 33 D CB 0.443 41.254 40.800 0.017 0.000 0.925 33 D HN 0.627 nan 8.370 nan 0.000 0.524 34 R N 0.068 120.573 120.500 0.008 0.000 2.728 34 R HA 0.380 4.723 4.340 0.004 0.000 0.259 34 R C -2.113 174.185 176.300 -0.002 0.000 1.057 34 R CA -0.469 55.632 56.100 0.002 0.000 0.908 34 R CB 1.097 31.399 30.300 0.003 0.000 1.259 34 R HN -0.167 nan 8.270 nan 0.000 0.472 35 I N 3.361 123.925 120.570 -0.010 0.000 2.466 35 I HA 0.372 4.544 4.170 0.004 0.000 0.289 35 I C -0.780 175.320 176.117 -0.028 0.000 1.026 35 I CA -0.589 60.699 61.300 -0.020 0.000 1.078 35 I CB 2.128 40.110 38.000 -0.029 0.000 1.249 35 I HN 0.681 nan 8.210 nan 0.000 0.429 36 E N 5.728 125.907 120.200 -0.035 0.000 2.366 36 E HA 0.495 4.848 4.350 0.004 0.000 0.278 36 E C -1.217 175.343 176.600 -0.067 0.000 0.923 36 E CA -1.183 55.191 56.400 -0.043 0.000 0.761 36 E CB 2.313 31.994 29.700 -0.031 0.000 1.231 36 E HN 0.472 nan 8.360 nan 0.000 0.443 37 R N 1.424 121.884 120.500 -0.067 0.000 2.308 37 R HA 0.295 4.638 4.340 0.004 0.000 0.305 37 R C 0.488 176.723 176.300 -0.109 0.000 1.053 37 R CA 0.115 56.165 56.100 -0.084 0.000 0.957 37 R CB 1.142 31.412 30.300 -0.051 0.000 1.022 37 R HN 0.607 nan 8.270 nan 0.000 0.461 38 V N 1.291 121.066 119.914 -0.231 0.000 3.480 38 V HA 0.336 4.459 4.120 0.004 0.000 0.263 38 V C 0.118 176.148 176.094 -0.107 0.000 1.442 38 V CA -0.031 62.120 62.300 -0.248 0.000 1.053 38 V CB 0.095 31.665 31.823 -0.421 0.000 0.846 38 V HN 0.580 nan 8.190 nan 0.000 0.440 39 F N 2.979 123.001 119.950 0.120 0.000 2.387 39 F HA 0.569 5.099 4.527 0.004 0.000 0.332 39 F C -2.317 173.510 175.800 0.045 0.000 1.174 39 F CA -2.209 55.859 58.000 0.113 0.000 1.257 39 F CB 0.764 39.957 39.000 0.322 0.000 1.569 39 F HN 0.033 nan 8.300 nan 0.000 0.554 40 P HA 0.013 nan 4.420 nan 0.000 0.257 40 P C -0.352 176.964 177.300 0.027 0.000 1.269 40 P CA 0.846 63.989 63.100 0.072 0.000 1.122 40 P CB 0.030 31.753 31.700 0.038 0.000 1.285 41 I N 5.965 126.553 120.570 0.030 0.000 2.354 41 I HA 0.275 4.447 4.170 0.004 0.000 0.286 41 I C -1.869 174.243 176.117 -0.008 0.000 1.007 41 I CA -2.598 58.687 61.300 -0.026 0.000 1.167 41 I CB 1.500 39.457 38.000 -0.072 0.000 1.320 41 I HN 0.028 nan 8.210 nan 0.000 0.458 42 P HA 0.038 nan 4.420 nan 0.000 0.269 42 P C 0.761 178.058 177.300 -0.005 0.000 1.211 42 P CA -0.154 62.939 63.100 -0.013 0.000 0.781 42 P CB 0.692 32.377 31.700 -0.024 0.000 0.877 43 R N 1.527 122.028 120.500 0.002 0.000 2.120 43 R HA -0.112 4.230 4.340 0.004 0.000 0.234 43 R C 2.033 178.337 176.300 0.007 0.000 1.123 43 R CA 1.909 58.015 56.100 0.010 0.000 0.975 43 R CB -1.002 29.305 30.300 0.011 0.000 0.866 43 R HN 0.697 nan 8.270 nan 0.000 0.446 44 G N 0.160 108.955 108.800 -0.008 0.000 2.498 44 G HA2 -0.071 3.892 3.960 0.004 0.000 0.219 44 G HA3 -0.071 3.892 3.960 0.004 0.000 0.219 44 G C 0.344 175.233 174.900 -0.017 0.000 1.119 44 G CA 0.198 45.287 45.100 -0.018 0.000 0.766 44 G HN 0.139 nan 8.290 nan 0.000 0.552 45 V N 1.896 121.802 119.914 -0.014 0.000 2.389 45 V HA 0.366 4.489 4.120 0.004 0.000 0.264 45 V C 0.439 176.552 176.094 0.032 0.000 1.049 45 V CA -0.655 61.639 62.300 -0.011 0.000 0.932 45 V CB 0.676 32.476 31.823 -0.038 0.000 1.011 45 V HN 0.236 nan 8.190 nan 0.000 0.475 46 V N 2.960 122.906 119.914 0.054 0.000 3.019 46 V HA 0.675 4.798 4.120 0.004 0.000 0.317 46 V C -0.563 175.630 176.094 0.164 0.000 1.094 46 V CA -1.137 61.230 62.300 0.112 0.000 1.000 46 V CB 1.934 33.819 31.823 0.103 0.000 1.060 46 V HN 0.538 nan 8.190 nan 0.000 0.443 47 F N 2.248 122.246 119.950 0.080 0.000 2.427 47 F HA 0.777 5.306 4.527 0.004 0.000 0.352 47 F C 0.304 176.166 175.800 0.102 0.000 1.100 47 F CA 0.322 58.396 58.000 0.124 0.000 1.191 47 F CB 0.471 39.534 39.000 0.104 0.000 1.128 47 F HN 1.015 nan 8.300 nan 0.000 0.533 48 A N 6.591 129.046 122.820 -0.608 0.000 2.469 48 A HA 0.748 5.071 4.320 0.004 0.000 0.299 48 A C -1.139 176.085 177.584 -0.600 0.000 1.098 48 A CA -1.034 50.763 52.037 -0.400 0.000 0.737 48 A CB 1.427 20.320 19.000 -0.178 0.000 1.312 48 A HN 0.850 nan 8.150 nan 0.000 0.414 49 R N 0.634 120.984 120.500 -0.251 0.000 2.445 49 R HA 0.560 4.903 4.340 0.004 0.000 0.308 49 R C -1.488 174.753 176.300 -0.100 0.000 0.961 49 R CA -0.436 55.577 56.100 -0.146 0.000 0.862 49 R CB 1.530 31.837 30.300 0.012 0.000 1.144 49 R HN 0.477 nan 8.270 nan 0.000 0.447 50 V N 7.356 127.212 119.914 -0.096 0.000 2.356 50 V HA 0.049 4.172 4.120 0.004 0.000 0.258 50 V C 1.399 177.462 176.094 -0.052 0.000 1.065 50 V CA 0.030 62.284 62.300 -0.076 0.000 0.935 50 V CB 0.749 32.520 31.823 -0.087 0.000 1.061 50 V HN 0.856 nan 8.190 nan 0.000 0.484 51 L N 2.403 123.604 121.223 -0.037 0.000 2.093 51 L HA 0.090 4.432 4.340 0.004 0.000 0.208 51 L C 0.990 177.829 176.870 -0.051 0.000 1.085 51 L CA 1.219 56.044 54.840 -0.025 0.000 0.755 51 L CB 0.071 42.128 42.059 -0.003 0.000 0.904 51 L HN 0.653 nan 8.230 nan 0.000 0.435 52 E N -1.281 118.870 120.200 -0.082 0.000 2.388 52 E HA 0.568 4.920 4.350 0.004 0.000 0.280 52 E C -1.736 174.720 176.600 -0.241 0.000 1.019 52 E CA -0.376 55.909 56.400 -0.192 0.000 0.806 52 E CB 1.705 31.248 29.700 -0.261 0.000 1.246 52 E HN 0.014 nan 8.360 nan 0.000 0.443 53 A N 3.243 125.873 122.820 -0.316 0.000 2.285 53 A HA 0.632 4.954 4.320 0.004 0.000 0.310 53 A C -1.409 175.999 177.584 -0.293 0.000 1.266 53 A CA -0.505 51.401 52.037 -0.218 0.000 0.832 53 A CB 0.148 19.074 19.000 -0.123 0.000 1.163 53 A HN 0.636 nan 8.150 nan 0.000 0.499 54 H N 2.688 121.750 119.070 -0.013 0.000 2.504 54 H HA 0.425 4.983 4.556 0.004 0.000 0.322 54 H C -2.600 172.722 175.328 -0.010 0.000 1.055 54 H CA -1.490 54.552 56.048 -0.011 0.000 1.231 54 H CB 1.400 31.156 29.762 -0.010 0.000 1.417 54 H HN 0.408 nan 8.280 nan 0.000 0.472 55 P HA 0.037 nan 4.420 nan 0.000 0.271 55 P C -0.299 177.033 177.300 0.053 0.000 1.216 55 P CA 0.038 63.170 63.100 0.054 0.000 0.776 55 P CB 0.820 32.541 31.700 0.035 0.000 0.881 56 I N 5.354 125.943 120.570 0.032 0.000 2.291 56 I HA 0.188 4.360 4.170 0.004 0.000 0.290 56 I C -1.741 174.383 176.117 0.012 0.000 1.050 56 I CA -2.502 58.810 61.300 0.020 0.000 1.245 56 I CB 0.914 38.922 38.000 0.014 0.000 1.405 56 I HN 0.174 nan 8.210 nan 0.000 0.478 57 P HA -0.066 nan 4.420 nan 0.000 0.258 57 P C 0.806 178.108 177.300 0.003 0.000 1.172 57 P CA 0.856 63.959 63.100 0.006 0.000 0.762 57 P CB 0.624 32.325 31.700 0.002 0.000 0.764 58 G N 1.884 110.686 108.800 0.003 0.000 2.175 58 G HA2 -0.188 3.775 3.960 0.004 0.000 0.244 58 G HA3 -0.188 3.775 3.960 0.004 0.000 0.244 58 G C 0.209 175.109 174.900 0.000 0.000 0.982 58 G CA 0.364 45.465 45.100 0.001 0.000 0.641 58 G HN 0.938 nan 8.290 nan 0.000 0.527 59 T N -3.530 111.025 114.554 0.001 0.000 2.864 59 T HA 0.723 5.076 4.350 0.004 0.000 0.289 59 T C 0.428 175.128 174.700 0.000 0.000 1.082 59 T CA -0.637 61.463 62.100 -0.000 0.000 1.009 59 T CB 1.856 70.723 68.868 -0.000 0.000 1.234 59 T HN 0.099 nan 8.240 nan 0.000 0.526 60 R N 0.160 120.659 120.500 -0.002 0.000 2.586 60 R HA 0.423 4.765 4.340 0.004 0.000 0.306 60 R C -0.312 175.986 176.300 -0.004 0.000 1.079 60 R CA -0.184 55.914 56.100 -0.003 0.000 1.083 60 R CB -0.249 30.048 30.300 -0.005 0.000 1.306 60 R HN 0.485 nan 8.270 nan 0.000 0.567 61 L N 0.100 121.322 121.223 -0.002 0.000 2.313 61 L HA 0.524 4.867 4.340 0.004 0.000 0.268 61 L C -0.119 176.753 176.870 0.004 0.000 1.010 61 L CA -0.998 53.840 54.840 -0.003 0.000 0.814 61 L CB 1.720 43.777 42.059 -0.003 0.000 1.304 61 L HN -0.120 nan 8.230 nan 0.000 0.441 62 K N 0.687 121.089 120.400 0.003 0.000 2.328 62 K HA 0.506 4.828 4.320 0.004 0.000 0.246 62 K C -1.042 175.571 176.600 0.022 0.000 0.955 62 K CA -0.886 55.409 56.287 0.013 0.000 0.817 62 K CB 2.767 35.264 32.500 -0.004 0.000 1.208 62 K HN 0.403 nan 8.250 nan 0.000 0.432 63 R N 3.499 124.031 120.500 0.053 0.000 2.215 63 R HA 0.298 4.640 4.340 0.004 0.000 0.336 63 R C -0.991 175.354 176.300 0.075 0.000 0.996 63 R CA -0.415 55.725 56.100 0.066 0.000 0.847 63 R CB 0.280 30.633 30.300 0.088 0.000 1.127 63 R HN 0.517 nan 8.270 nan 0.000 0.465 64 L N 4.892 126.135 121.223 0.035 0.000 2.292 64 L HA 0.387 4.729 4.340 0.004 0.000 0.284 64 L C -0.363 176.527 176.870 0.033 0.000 1.065 64 L CA -1.071 53.775 54.840 0.011 0.000 0.806 64 L CB 1.773 43.820 42.059 -0.020 0.000 1.175 64 L HN 0.360 nan 8.230 nan 0.000 0.431 65 V N 5.502 125.435 119.914 0.031 0.000 2.333 65 V HA 0.358 4.481 4.120 0.004 0.000 0.274 65 V C 0.208 176.305 176.094 0.006 0.000 1.028 65 V CA -0.299 62.026 62.300 0.041 0.000 0.851 65 V CB 1.254 33.127 31.823 0.082 0.000 1.000 65 V HN 0.504 nan 8.190 nan 0.000 0.456 66 L N 3.675 124.900 121.223 0.004 0.000 2.325 66 L HA 0.600 4.943 4.340 0.004 0.000 0.278 66 L C -0.180 176.690 176.870 -0.001 0.000 1.023 66 L CA -0.628 54.204 54.840 -0.012 0.000 0.811 66 L CB 1.819 43.868 42.059 -0.018 0.000 1.249 66 L HN 0.439 nan 8.230 nan 0.000 0.431 67 D N 2.640 123.037 120.400 -0.005 0.000 2.428 67 D HA 0.393 5.036 4.640 0.004 0.000 0.221 67 D C -0.116 176.201 176.300 0.029 0.000 1.123 67 D CA -0.099 53.911 54.000 0.016 0.000 0.869 67 D CB 1.617 42.434 40.800 0.029 0.000 1.032 67 D HN 0.616 nan 8.370 nan 0.000 0.506 68 A N 2.603 125.448 122.820 0.042 0.000 2.855 68 A HA 0.617 4.940 4.320 0.004 0.000 0.301 68 A C 1.230 178.860 177.584 0.077 0.000 1.076 68 A CA 0.275 52.351 52.037 0.065 0.000 1.004 68 A CB -0.001 19.041 19.000 0.069 0.000 1.152 68 A HN 0.725 nan 8.150 nan 0.000 0.531 69 G N 0.958 109.801 108.800 0.071 0.000 3.922 69 G HA2 -0.251 3.712 3.960 0.004 0.000 0.208 69 G HA3 -0.251 3.712 3.960 0.004 0.000 0.208 69 G C 0.419 175.341 174.900 0.036 0.000 1.491 69 G CA 0.025 45.161 45.100 0.059 0.000 1.017 69 G HN 1.219 nan 8.290 nan 0.000 0.603 70 R N 0.740 121.256 120.500 0.027 0.000 2.664 70 R HA 0.727 5.069 4.340 0.004 0.000 0.286 70 R C -0.664 175.631 176.300 -0.008 0.000 0.967 70 R CA -0.257 55.843 56.100 0.000 0.000 0.933 70 R CB 1.216 31.503 30.300 -0.022 0.000 1.146 70 R HN 0.130 nan 8.270 nan 0.000 0.468 71 T N 1.872 116.413 114.554 -0.021 0.000 2.901 71 T HA 0.337 4.690 4.350 0.004 0.000 0.301 71 T C 0.133 174.803 174.700 -0.050 0.000 1.012 71 T CA -0.289 61.798 62.100 -0.021 0.000 1.135 71 T CB 0.870 69.727 68.868 -0.017 0.000 0.936 71 T HN 0.521 nan 8.240 nan 0.000 0.539 72 V N 0.631 120.533 119.914 -0.021 0.000 3.181 72 V HA 0.749 4.871 4.120 0.004 0.000 0.308 72 V C -1.116 174.993 176.094 0.025 0.000 1.214 72 V CA -1.181 61.104 62.300 -0.025 0.000 1.053 72 V CB 2.370 34.227 31.823 0.057 0.000 1.069 72 V HN 0.820 nan 8.190 nan 0.000 0.441 73 E N 0.463 120.691 120.200 0.047 0.000 2.256 73 E HA 0.835 5.188 4.350 0.004 0.000 0.267 73 E C -1.616 175.036 176.600 0.088 0.000 0.892 73 E CA -0.871 55.563 56.400 0.057 0.000 0.775 73 E CB 2.716 32.440 29.700 0.039 0.000 1.207 73 E HN 0.605 nan 8.360 nan 0.000 0.420 74 V N 1.826 121.773 119.914 0.055 0.000 2.971 74 V HA 0.265 4.388 4.120 0.004 0.000 0.309 74 V C -0.734 175.372 176.094 0.019 0.000 1.130 74 V CA -0.847 61.477 62.300 0.039 0.000 0.964 74 V CB 2.384 34.218 31.823 0.018 0.000 1.029 74 V HN 0.419 nan 8.190 nan 0.000 0.427 75 V N 2.804 122.724 119.914 0.010 0.000 2.472 75 V HA 0.765 4.888 4.120 0.004 0.000 0.290 75 V C 0.078 176.164 176.094 -0.014 0.000 1.037 75 V CA -0.004 62.298 62.300 0.002 0.000 0.908 75 V CB 1.788 33.612 31.823 0.003 0.000 0.985 75 V HN 0.908 nan 8.190 nan 0.000 0.454 76 S N 2.516 118.206 115.700 -0.017 0.000 2.536 76 S HA 0.664 5.136 4.470 0.004 0.000 0.271 76 S C 0.413 174.998 174.600 -0.025 0.000 1.134 76 S CA 0.130 58.313 58.200 -0.029 0.000 0.897 76 S CB 1.884 65.060 63.200 -0.040 0.000 1.094 76 S HN 0.972 nan 8.310 nan 0.000 0.473 77 G N 1.483 110.264 108.800 -0.031 0.000 3.453 77 G HA2 0.512 4.474 3.960 0.004 0.000 0.263 77 G HA3 0.512 4.474 3.960 0.004 0.000 0.263 77 G C 0.314 175.197 174.900 -0.028 0.000 1.060 77 G CA 0.228 45.312 45.100 -0.026 0.000 0.793 77 G HN 1.047 nan 8.290 nan 0.000 0.532 78 A N 0.687 123.486 122.820 -0.034 0.000 2.404 78 A HA 0.443 4.765 4.320 0.004 0.000 0.273 78 A C 1.402 178.975 177.584 -0.017 0.000 1.144 78 A CA -0.236 51.783 52.037 -0.031 0.000 0.806 78 A CB 0.506 19.481 19.000 -0.041 0.000 1.080 78 A HN 0.229 nan 8.150 nan 0.000 0.509 79 E N 2.396 122.594 120.200 -0.004 0.000 2.130 79 E HA -0.265 4.088 4.350 0.004 0.000 0.196 79 E C 1.470 178.069 176.600 -0.001 0.000 0.998 79 E CA 2.021 58.422 56.400 0.002 0.000 0.806 79 E CB -0.226 29.482 29.700 0.014 0.000 0.738 79 E HN 1.020 nan 8.360 nan 0.000 0.459 80 N N 0.338 119.041 118.700 0.004 0.000 2.521 80 N HA 0.070 4.813 4.740 0.004 0.000 0.188 80 N C 0.475 175.968 175.510 -0.028 0.000 1.146 80 N CA 0.299 53.346 53.050 -0.006 0.000 0.893 80 N CB 0.134 38.627 38.487 0.009 0.000 0.975 80 N HN -0.087 nan 8.380 nan 0.000 0.451 81 A N 1.705 124.504 122.820 -0.035 0.000 2.522 81 A HA 0.249 4.572 4.320 0.004 0.000 0.256 81 A C 0.291 177.844 177.584 -0.051 0.000 1.086 81 A CA -0.284 51.722 52.037 -0.052 0.000 0.763 81 A CB -0.050 18.920 19.000 -0.050 0.000 1.024 81 A HN 0.686 nan 8.150 nan 0.000 0.502 82 R N 1.542 122.005 120.500 -0.060 0.000 2.728 82 R HA 0.490 4.832 4.340 0.004 0.000 0.274 82 R C -0.837 175.422 176.300 -0.068 0.000 1.030 82 R CA -1.075 54.988 56.100 -0.061 0.000 0.876 82 R CB 0.885 31.157 30.300 -0.046 0.000 1.259 82 R HN 0.553 nan 8.270 nan 0.000 0.468 83 K N 0.210 120.567 120.400 -0.072 0.000 2.355 83 K HA 0.294 4.616 4.320 0.004 0.000 0.270 83 K C 0.545 177.118 176.600 -0.045 0.000 1.003 83 K CA 1.149 57.395 56.287 -0.068 0.000 0.957 83 K CB 0.472 32.926 32.500 -0.077 0.000 0.939 83 K HN 0.873 nan 8.250 nan 0.000 0.482 84 G N 3.044 111.823 108.800 -0.034 0.000 2.157 84 G HA2 -0.216 3.746 3.960 0.004 0.000 0.239 84 G HA3 -0.216 3.746 3.960 0.004 0.000 0.239 84 G C -0.010 174.889 174.900 -0.002 0.000 0.982 84 G CA 0.398 45.491 45.100 -0.013 0.000 0.650 84 G HN 0.749 nan 8.290 nan 0.000 0.527 85 I N -2.152 118.405 120.570 -0.022 0.000 3.067 85 I HA 0.935 5.107 4.170 0.004 0.000 0.312 85 I C 0.542 176.635 176.117 -0.040 0.000 1.073 85 I CA -1.107 60.186 61.300 -0.011 0.000 1.016 85 I CB 1.971 39.944 38.000 -0.045 0.000 1.227 85 I HN 0.191 nan 8.210 nan 0.000 0.456 86 G N 1.613 110.416 108.800 0.004 0.000 2.389 86 G HA2 0.636 4.599 3.960 0.004 0.000 0.328 86 G HA3 0.636 4.599 3.960 0.004 0.000 0.328 86 G C -0.567 174.170 174.900 -0.272 0.000 1.133 86 G CA -0.558 44.450 45.100 -0.153 0.000 0.891 86 G HN 0.928 nan 8.290 nan 0.000 0.485 87 V N -1.492 118.163 119.914 -0.432 0.000 3.141 87 V HA 0.918 5.041 4.120 0.004 0.000 0.312 87 V C 0.062 176.018 176.094 -0.230 0.000 1.157 87 V CA -1.250 60.795 62.300 -0.424 0.000 1.041 87 V CB 1.576 33.223 31.823 -0.294 0.000 1.071 87 V HN 1.327 nan 8.190 nan 0.000 0.441 88 A N 2.254 124.963 122.820 -0.185 0.000 2.294 88 A HA 0.693 5.016 4.320 0.004 0.000 0.316 88 A C -0.457 177.092 177.584 -0.058 0.000 1.359 88 A CA -0.381 51.672 52.037 0.027 0.000 0.956 88 A CB 0.013 19.032 19.000 0.033 0.000 1.155 88 A HN 1.010 nan 8.150 nan 0.000 0.544 89 L N 3.397 124.600 121.223 -0.034 0.000 2.260 89 L HA 0.552 4.895 4.340 0.004 0.000 0.289 89 L C 0.396 177.243 176.870 -0.039 0.000 1.057 89 L CA -0.401 54.413 54.840 -0.043 0.000 0.811 89 L CB 1.179 43.224 42.059 -0.023 0.000 1.184 89 L HN 0.726 nan 8.230 nan 0.000 0.429 90 A N 7.118 129.899 122.820 -0.065 0.000 2.316 90 A HA 0.455 4.777 4.320 0.004 0.000 0.311 90 A C -0.160 177.356 177.584 -0.113 0.000 1.339 90 A CA -0.536 51.453 52.037 -0.079 0.000 0.960 90 A CB 0.085 19.032 19.000 -0.088 0.000 1.152 90 A HN 0.767 nan 8.150 nan 0.000 0.547 91 L N 3.087 124.242 121.223 -0.113 0.000 2.464 91 L HA 0.222 4.564 4.340 0.004 0.000 0.264 91 L C -1.985 174.718 176.870 -0.278 0.000 1.199 91 L CA -1.778 52.937 54.840 -0.208 0.000 0.818 91 L CB 0.393 42.382 42.059 -0.116 0.000 1.102 91 L HN 0.403 nan 8.230 nan 0.000 0.473 92 P HA 0.028 nan 4.420 nan 0.000 0.262 92 P C 0.608 177.783 177.300 -0.207 0.000 1.182 92 P CA 0.956 63.831 63.100 -0.375 0.000 0.761 92 P CB 0.687 32.056 31.700 -0.552 0.000 0.795 93 G N 1.641 110.359 108.800 -0.137 0.000 2.284 93 G HA2 -0.196 3.767 3.960 0.004 0.000 0.216 93 G HA3 -0.196 3.767 3.960 0.004 0.000 0.216 93 G C 0.329 175.187 174.900 -0.070 0.000 1.009 93 G CA -0.165 44.884 45.100 -0.085 0.000 0.625 93 G HN 0.576 nan 8.290 nan 0.000 0.501 94 T N 1.385 115.890 114.554 -0.082 0.000 2.928 94 T HA 0.418 4.770 4.350 0.004 0.000 0.305 94 T C 0.110 174.775 174.700 -0.058 0.000 1.035 94 T CA 0.757 62.819 62.100 -0.064 0.000 1.145 94 T CB 1.619 70.445 68.868 -0.071 0.000 0.963 94 T HN 0.443 nan 8.240 nan 0.000 0.545 95 E N 2.816 122.989 120.200 -0.045 0.000 2.133 95 E HA 0.425 4.778 4.350 0.004 0.000 0.274 95 E C -0.892 175.683 176.600 -0.042 0.000 0.930 95 E CA -0.534 55.842 56.400 -0.041 0.000 0.770 95 E CB 0.566 30.247 29.700 -0.031 0.000 1.104 95 E HN 0.484 nan 8.360 nan 0.000 0.403 96 L N 5.968 127.163 121.223 -0.047 0.000 2.309 96 L HA 0.445 4.787 4.340 0.004 0.000 0.282 96 L C -2.102 174.743 176.870 -0.042 0.000 1.036 96 L CA -2.464 52.346 54.840 -0.051 0.000 0.806 96 L CB 1.410 43.432 42.059 -0.062 0.000 1.220 96 L HN 0.486 nan 8.230 nan 0.000 0.429 97 P HA 0.011 nan 4.420 nan 0.000 0.258 97 P C 0.757 178.039 177.300 -0.029 0.000 1.187 97 P CA 0.988 64.072 63.100 -0.028 0.000 0.767 97 P CB 0.563 32.249 31.700 -0.024 0.000 0.770 98 G N 2.375 111.161 108.800 -0.023 0.000 2.336 98 G HA2 -0.271 3.692 3.960 0.004 0.000 0.233 98 G HA3 -0.271 3.692 3.960 0.004 0.000 0.233 98 G C -0.074 174.811 174.900 -0.026 0.000 1.053 98 G CA -0.153 44.934 45.100 -0.022 0.000 0.625 98 G HN 0.599 nan 8.290 nan 0.000 0.511 99 L N 2.914 124.118 121.223 -0.032 0.000 2.416 99 L HA 0.667 5.010 4.340 0.004 0.000 0.272 99 L C 1.712 178.564 176.870 -0.029 0.000 1.161 99 L CA 1.373 56.193 54.840 -0.034 0.000 0.845 99 L CB 0.967 43.001 42.059 -0.042 0.000 1.119 99 L HN 0.367 nan 8.230 nan 0.000 0.464 100 G N 3.792 112.576 108.800 -0.027 0.000 2.556 100 G HA2 -0.084 3.878 3.960 0.004 0.000 0.215 100 G HA3 -0.084 3.878 3.960 0.004 0.000 0.215 100 G C 0.267 175.152 174.900 -0.025 0.000 1.258 100 G CA 0.401 45.487 45.100 -0.023 0.000 0.811 100 G HN 0.727 nan 8.290 nan 0.000 0.557 101 Q N 0.970 120.753 119.800 -0.028 0.000 2.256 101 Q HA 0.389 4.731 4.340 0.004 0.000 0.232 101 Q C -0.393 175.585 176.000 -0.036 0.000 0.965 101 Q CA -0.391 55.394 55.803 -0.029 0.000 0.908 101 Q CB 1.193 29.914 28.738 -0.028 0.000 1.209 101 Q HN 0.315 nan 8.270 nan 0.000 0.489 102 K N -0.022 120.355 120.400 -0.038 0.000 2.143 102 K HA 0.295 4.618 4.320 0.004 0.000 0.239 102 K C -0.309 176.256 176.600 -0.059 0.000 1.048 102 K CA -0.521 55.737 56.287 -0.048 0.000 0.867 102 K CB 0.398 32.869 32.500 -0.047 0.000 1.088 102 K HN 0.358 nan 8.250 nan 0.000 0.510 103 V N 1.114 120.983 119.914 -0.074 0.000 2.407 103 V HA 0.379 4.501 4.120 0.004 0.000 0.278 103 V C 0.484 176.510 176.094 -0.113 0.000 1.037 103 V CA -0.244 62.001 62.300 -0.092 0.000 0.900 103 V CB 1.029 32.789 31.823 -0.104 0.000 0.983 103 V HN 0.902 nan 8.190 nan 0.000 0.459 104 G N 3.181 111.916 108.800 -0.108 0.000 2.816 104 G HA2 0.579 4.541 3.960 0.004 0.000 0.288 104 G HA3 0.579 4.541 3.960 0.004 0.000 0.288 104 G C -0.903 173.917 174.900 -0.134 0.000 1.334 104 G CA -0.618 44.410 45.100 -0.120 0.000 0.978 104 G HN 0.659 nan 8.290 nan 0.000 0.493 105 E N -0.306 119.822 120.200 -0.120 0.000 2.290 105 E HA 0.405 4.757 4.350 0.004 0.000 0.277 105 E C 0.033 176.626 176.600 -0.013 0.000 1.035 105 E CA -0.342 56.023 56.400 -0.059 0.000 0.873 105 E CB 0.695 30.424 29.700 0.049 0.000 1.029 105 E HN 0.442 nan 8.360 nan 0.000 0.419 106 R N 3.525 124.024 120.500 -0.002 0.000 2.686 106 R HA 0.375 4.717 4.340 0.004 0.000 0.283 106 R C -1.625 174.683 176.300 0.013 0.000 0.978 106 R CA -0.809 55.291 56.100 -0.000 0.000 0.897 106 R CB 1.789 32.079 30.300 -0.016 0.000 1.192 106 R HN 0.414 nan 8.270 nan 0.000 0.457 107 V N 5.905 125.825 119.914 0.011 0.000 2.461 107 V HA 0.372 4.494 4.120 0.004 0.000 0.275 107 V C 0.051 176.147 176.094 0.004 0.000 1.047 107 V CA -0.057 62.250 62.300 0.011 0.000 0.955 107 V CB 1.122 32.951 31.823 0.010 0.000 0.988 107 V HN 0.582 nan 8.190 nan 0.000 0.471 108 I N 4.654 125.227 120.570 0.005 0.000 2.534 108 I HA 0.333 4.506 4.170 0.004 0.000 0.288 108 I C -0.282 175.835 176.117 0.001 0.000 1.077 108 I CA -0.769 60.531 61.300 -0.000 0.000 1.051 108 I CB 2.107 40.105 38.000 -0.003 0.000 1.234 108 I HN 0.463 nan 8.210 nan 0.000 0.425 109 Q N 4.532 124.331 119.800 -0.002 0.000 2.406 109 Q HA -0.250 4.093 4.340 0.004 0.000 0.339 109 Q C 1.096 177.096 176.000 -0.001 0.000 1.337 109 Q CA 1.276 57.078 55.803 -0.002 0.000 0.985 109 Q CB -1.316 27.421 28.738 -0.001 0.000 1.216 109 Q HN 1.266 nan 8.270 nan 0.000 0.415 110 G N -2.492 106.308 108.800 -0.001 0.000 2.199 110 G HA2 -0.305 3.657 3.960 0.004 0.000 0.254 110 G HA3 -0.305 3.657 3.960 0.004 0.000 0.254 110 G C 0.091 174.991 174.900 -0.000 0.000 0.982 110 G CA 0.484 45.583 45.100 -0.002 0.000 0.632 110 G HN 1.068 nan 8.290 nan 0.000 0.529 111 V N 0.108 120.025 119.914 0.004 0.000 2.735 111 V HA 0.813 4.935 4.120 0.004 0.000 0.310 111 V C 0.108 176.213 176.094 0.019 0.000 1.061 111 V CA -1.283 61.023 62.300 0.009 0.000 0.913 111 V CB 1.465 33.294 31.823 0.010 0.000 1.005 111 V HN 0.304 nan 8.190 nan 0.000 0.428 112 R N 3.779 124.295 120.500 0.028 0.000 2.248 112 R HA 0.340 4.682 4.340 0.004 0.000 0.337 112 R C 0.049 176.396 176.300 0.078 0.000 1.085 112 R CA 0.069 56.199 56.100 0.051 0.000 0.934 112 R CB 0.988 31.323 30.300 0.058 0.000 1.034 112 R HN 0.729 nan 8.270 nan 0.000 0.465 113 S N 3.843 119.583 115.700 0.067 0.000 2.405 113 S HA 0.099 4.572 4.470 0.004 0.000 0.291 113 S C -0.435 174.233 174.600 0.114 0.000 1.137 113 S CA -0.575 57.667 58.200 0.071 0.000 1.061 113 S CB 0.052 63.266 63.200 0.024 0.000 1.001 113 S HN 0.442 nan 8.310 nan 0.000 0.507 114 F N 6.536 126.476 119.950 -0.016 0.000 2.652 114 F HA 0.490 5.020 4.527 0.004 0.000 0.352 114 F C 1.079 176.868 175.800 -0.020 0.000 1.259 114 F CA 0.777 58.768 58.000 -0.015 0.000 1.249 114 F CB -0.853 38.140 39.000 -0.012 0.000 1.628 114 F HN 0.892 nan 8.300 nan 0.000 0.654 115 G N 4.200 112.861 108.800 -0.233 0.000 2.508 115 G HA2 -0.087 3.876 3.960 0.004 0.000 0.220 115 G HA3 -0.087 3.876 3.960 0.004 0.000 0.220 115 G C -0.820 174.021 174.900 -0.098 0.000 1.287 115 G CA -0.317 44.655 45.100 -0.214 0.000 0.916 115 G HN 0.989 nan 8.290 nan 0.000 0.574 116 M N -2.144 117.404 119.600 -0.087 0.000 2.490 116 M HA 0.780 5.263 4.480 0.004 0.000 0.286 116 M C -0.360 175.896 176.300 -0.073 0.000 1.185 116 M CA -0.438 54.822 55.300 -0.067 0.000 0.912 116 M CB 1.658 34.217 32.600 -0.069 0.000 1.744 116 M HN 2.359 nan 8.290 nan 0.000 0.494 117 A N 3.158 125.933 122.820 -0.074 0.000 2.354 117 A HA 0.795 5.117 4.320 0.004 0.000 0.269 117 A C -0.609 176.912 177.584 -0.106 0.000 1.109 117 A CA -0.567 51.412 52.037 -0.097 0.000 0.800 117 A CB 0.396 19.333 19.000 -0.105 0.000 1.045 117 A HN 0.828 nan 8.150 nan 0.000 0.489 118 L N 1.727 122.875 121.223 -0.125 0.000 2.344 118 L HA 0.524 4.866 4.340 0.004 0.000 0.272 118 L C 0.858 177.645 176.870 -0.138 0.000 1.035 118 L CA -0.604 54.160 54.840 -0.127 0.000 0.807 118 L CB 1.886 43.868 42.059 -0.129 0.000 1.237 118 L HN 0.876 nan 8.230 nan 0.000 0.442 119 S N 0.366 115.993 115.700 -0.123 0.000 2.687 119 S HA 0.436 4.909 4.470 0.004 0.000 0.283 119 S C -2.153 172.388 174.600 -0.098 0.000 1.170 119 S CA -1.304 56.834 58.200 -0.103 0.000 1.008 119 S CB 1.697 64.809 63.200 -0.146 0.000 1.026 119 S HN 0.349 nan 8.310 nan 0.000 0.541 120 P HA -0.075 nan 4.420 nan 0.000 0.216 120 P C 1.653 178.867 177.300 -0.143 0.000 1.150 120 P CA 0.950 63.982 63.100 -0.114 0.000 0.837 120 P CB 0.048 31.805 31.700 0.096 0.000 0.786 121 R N 0.272 120.722 120.500 -0.083 0.000 2.075 121 R HA -0.145 4.198 4.340 0.004 0.000 0.232 121 R C 1.957 178.201 176.300 -0.093 0.000 1.126 121 R CA 1.590 57.644 56.100 -0.076 0.000 0.963 121 R CB -0.333 29.922 30.300 -0.075 0.000 0.858 121 R HN 0.263 nan 8.270 nan 0.000 0.435 122 E N 0.236 120.371 120.200 -0.107 0.000 2.106 122 E HA -0.196 4.157 4.350 0.004 0.000 0.192 122 E C 1.809 178.340 176.600 -0.115 0.000 0.984 122 E CA 0.844 57.183 56.400 -0.102 0.000 0.806 122 E CB -0.063 29.576 29.700 -0.103 0.000 0.750 122 E HN 0.141 nan 8.360 nan 0.000 0.458 123 L N -0.283 120.848 121.223 -0.154 0.000 2.395 123 L HA 0.116 4.458 4.340 0.004 0.000 0.218 123 L C 1.289 178.053 176.870 -0.177 0.000 1.130 123 L CA 1.585 56.309 54.840 -0.192 0.000 0.826 123 L CB 0.002 41.888 42.059 -0.289 0.000 0.941 123 L HN 0.248 nan 8.230 nan 0.000 0.451 124 G N -1.215 107.497 108.800 -0.146 0.000 2.136 124 G HA2 -0.262 3.700 3.960 0.004 0.000 0.242 124 G HA3 -0.262 3.700 3.960 0.004 0.000 0.242 124 G C 0.823 175.687 174.900 -0.059 0.000 0.989 124 G CA 0.715 45.767 45.100 -0.080 0.000 0.682 124 G HN 0.817 nan 8.290 nan 0.000 0.522 125 V N -2.681 117.095 119.914 -0.231 0.000 3.590 125 V HA 0.697 4.820 4.120 0.004 0.000 0.265 125 V C 1.074 177.007 176.094 -0.268 0.000 1.239 125 V CA 1.292 63.429 62.300 -0.272 0.000 1.117 125 V CB 0.462 31.784 31.823 -0.834 0.000 0.818 125 V HN 1.682 nan 8.190 nan 0.000 0.451 126 G N -0.873 107.801 108.800 -0.210 0.000 2.623 126 G HA2 0.485 4.447 3.960 0.004 0.000 0.290 126 G HA3 0.485 4.447 3.960 0.004 0.000 0.290 126 G C -0.293 174.675 174.900 0.113 0.000 1.437 126 G CA -0.056 45.088 45.100 0.072 0.000 0.798 126 G HN -0.098 nan 8.290 nan 0.000 0.488 127 E N -0.633 119.681 120.200 0.189 0.000 2.216 127 E HA -0.047 4.305 4.350 0.004 0.000 0.192 127 E C 0.299 176.990 176.600 0.152 0.000 0.988 127 E CA 0.279 56.763 56.400 0.141 0.000 0.834 127 E CB -0.043 29.741 29.700 0.141 0.000 0.772 127 E HN 0.424 nan 8.360 nan 0.000 0.479 128 Y N 1.492 121.853 120.300 0.103 0.000 2.650 128 Y HA 0.192 4.744 4.550 0.004 0.000 0.331 128 Y C 1.259 177.184 175.900 0.042 0.000 1.165 128 Y CA 0.555 58.705 58.100 0.083 0.000 1.473 128 Y CB 0.653 39.190 38.460 0.128 0.000 1.224 128 Y HN -0.078 nan 8.280 nan 0.000 0.533 129 G N 3.324 111.753 108.800 -0.618 0.000 3.839 129 G HA2 0.143 4.106 3.960 0.004 0.000 0.286 129 G HA3 0.143 4.106 3.960 0.004 0.000 0.286 129 G C 1.082 175.567 174.900 -0.691 0.000 1.005 129 G CA 0.183 44.976 45.100 -0.512 0.000 0.824 129 G HN 0.933 nan 8.290 nan 0.000 0.489 130 G N -0.236 107.711 108.800 -1.421 0.000 2.813 130 G HA2 0.466 4.429 3.960 0.004 0.000 0.209 130 G HA3 0.466 4.429 3.960 0.004 0.000 0.209 130 G C 0.641 175.360 174.900 -0.302 0.000 1.150 130 G CA 0.643 45.310 45.100 -0.722 0.000 0.785 130 G HN 0.751 nan 8.290 nan 0.000 0.535 131 G N -1.047 107.577 108.800 -0.293 0.000 2.608 131 G HA2 0.483 4.445 3.960 0.004 0.000 0.291 131 G HA3 0.483 4.445 3.960 0.004 0.000 0.291 131 G C -1.082 173.842 174.900 0.039 0.000 1.425 131 G CA -1.010 44.123 45.100 0.057 0.000 0.787 131 G HN 0.126 nan 8.290 nan 0.000 0.484 132 L N 0.154 121.379 121.223 0.003 0.000 2.436 132 L HA 0.393 4.735 4.340 0.004 0.000 0.265 132 L C 0.394 177.221 176.870 -0.072 0.000 1.168 132 L CA -0.649 54.150 54.840 -0.068 0.000 0.815 132 L CB 0.889 42.876 42.059 -0.119 0.000 1.109 132 L HN 0.317 nan 8.230 nan 0.000 0.462 133 L N 2.081 123.194 121.223 -0.184 0.000 2.455 133 L HA 0.061 4.404 4.340 0.004 0.000 0.272 133 L C 0.213 176.766 176.870 -0.528 0.000 1.174 133 L CA 0.448 55.121 54.840 -0.278 0.000 0.869 133 L CB 0.158 41.954 42.059 -0.439 0.000 1.130 133 L HN 0.559 nan 8.230 nan 0.000 0.474 134 E N 3.436 123.449 120.200 -0.311 0.000 2.114 134 E HA 0.396 4.748 4.350 0.004 0.000 0.266 134 E C -1.203 175.383 176.600 -0.025 0.000 0.896 134 E CA -0.477 55.787 56.400 -0.227 0.000 0.750 134 E CB 1.060 30.720 29.700 -0.067 0.000 1.121 134 E HN 0.195 nan 8.360 nan 0.000 0.413 135 F N 2.339 122.349 119.950 0.100 0.000 2.557 135 F HA 0.476 5.005 4.527 0.004 0.000 0.336 135 F C -2.091 173.799 175.800 0.151 0.000 1.058 135 F CA -3.164 54.936 58.000 0.167 0.000 0.988 135 F CB 0.152 39.361 39.000 0.348 0.000 1.275 135 F HN 0.223 nan 8.300 nan 0.000 0.488 136 P HA 0.070 nan 4.420 nan 0.000 0.271 136 P C 0.596 178.095 177.300 0.331 0.000 1.216 136 P CA 0.060 63.287 63.100 0.211 0.000 0.776 136 P CB 0.596 32.359 31.700 0.105 0.000 0.881 137 E N 2.298 122.639 120.200 0.235 0.000 2.265 137 E HA -0.229 4.123 4.350 0.004 0.000 0.196 137 E C 0.253 177.061 176.600 0.346 0.000 0.996 137 E CA 1.430 57.995 56.400 0.275 0.000 0.832 137 E CB -0.106 29.674 29.700 0.132 0.000 0.756 137 E HN 0.455 nan 8.360 nan 0.000 0.491 138 D N -1.046 119.475 120.400 0.201 0.000 2.431 138 D HA 0.190 4.833 4.640 0.004 0.000 0.213 138 D C 1.460 177.714 176.300 -0.078 0.000 1.130 138 D CA 0.445 54.496 54.000 0.084 0.000 0.834 138 D CB 0.257 41.080 40.800 0.040 0.000 0.985 138 D HN 0.203 nan 8.370 nan 0.000 0.504 139 A N 0.454 123.193 122.820 -0.134 0.000 1.940 139 A HA -0.015 4.308 4.320 0.004 0.000 0.221 139 A C 0.842 178.091 177.584 -0.559 0.000 1.190 139 A CA 1.121 52.952 52.037 -0.342 0.000 0.647 139 A CB -0.363 18.445 19.000 -0.320 0.000 0.821 139 A HN 0.389 nan 8.150 nan 0.000 0.457 140 L N -3.024 117.597 121.223 -1.003 0.000 2.479 140 L HA 0.398 4.740 4.340 0.004 0.000 0.255 140 L C -2.897 173.752 176.870 -0.368 0.000 1.026 140 L CA -2.413 52.023 54.840 -0.673 0.000 0.842 140 L CB 2.154 43.774 42.059 -0.732 0.000 1.444 140 L HN -0.189 nan 8.230 nan 0.000 0.409 141 P HA 0.152 nan 4.420 nan 0.000 0.268 141 P C -2.524 174.859 177.300 0.137 0.000 1.204 141 P CA -0.961 62.147 63.100 0.014 0.000 0.768 141 P CB 0.025 31.728 31.700 0.006 0.000 0.842 142 P HA -0.012 nan 4.420 nan 0.000 0.262 142 P C 1.043 178.455 177.300 0.187 0.000 1.182 142 P CA 1.583 64.843 63.100 0.267 0.000 0.761 142 P CB 0.044 31.846 31.700 0.170 0.000 0.795 143 G N 1.796 110.721 108.800 0.208 0.000 2.217 143 G HA2 -0.240 3.722 3.960 0.004 0.000 0.246 143 G HA3 -0.240 3.722 3.960 0.004 0.000 0.246 143 G C 0.374 175.354 174.900 0.134 0.000 0.990 143 G CA 0.231 45.417 45.100 0.144 0.000 0.627 143 G HN 0.810 nan 8.290 nan 0.000 0.522 144 T N 0.687 115.329 114.554 0.147 0.000 2.888 144 T HA 0.514 4.867 4.350 0.004 0.000 0.301 144 T C -2.053 172.714 174.700 0.111 0.000 1.001 144 T CA -0.869 61.289 62.100 0.097 0.000 1.147 144 T CB 1.368 70.264 68.868 0.048 0.000 0.931 144 T HN 0.117 nan 8.240 nan 0.000 0.541 145 P HA 0.025 nan 4.420 nan 0.000 0.261 145 P C 0.906 178.256 177.300 0.083 0.000 1.183 145 P CA -0.423 62.721 63.100 0.074 0.000 0.761 145 P CB 0.336 32.067 31.700 0.052 0.000 0.785 146 L N 4.888 126.168 121.223 0.096 0.000 2.081 146 L HA -0.243 4.100 4.340 0.004 0.000 0.212 146 L C 2.186 179.118 176.870 0.102 0.000 1.080 146 L CA 2.496 57.397 54.840 0.100 0.000 0.754 146 L CB -1.465 40.635 42.059 0.070 0.000 0.893 146 L HN 0.423 nan 8.230 nan 0.000 0.433 147 S N -1.295 114.454 115.700 0.082 0.000 2.387 147 S HA -0.299 4.174 4.470 0.004 0.000 0.230 147 S C 1.799 176.473 174.600 0.123 0.000 1.035 147 S CA 1.519 59.789 58.200 0.117 0.000 1.014 147 S CB -0.874 62.375 63.200 0.082 0.000 0.836 147 S HN 0.654 nan 8.310 nan 0.000 0.466 148 E N 1.353 121.602 120.200 0.081 0.000 2.267 148 E HA -0.037 4.316 4.350 0.004 0.000 0.197 148 E C 1.816 178.445 176.600 0.047 0.000 0.998 148 E CA 1.098 57.531 56.400 0.055 0.000 0.830 148 E CB -0.241 29.478 29.700 0.031 0.000 0.751 148 E HN 0.803 nan 8.360 nan 0.000 0.491 149 A N -0.676 122.184 122.820 0.065 0.000 2.469 149 A HA 0.064 4.387 4.320 0.004 0.000 0.245 149 A C 0.037 177.675 177.584 0.090 0.000 1.221 149 A CA -0.416 51.638 52.037 0.030 0.000 0.946 149 A CB 0.418 19.395 19.000 -0.039 0.000 1.049 149 A HN 0.306 nan 8.150 nan 0.000 0.529 150 W N 2.692 123.968 121.300 -0.040 0.000 2.036 150 W HA 0.328 4.991 4.660 0.004 0.000 0.294 150 W C -3.226 173.329 176.519 0.059 0.000 0.948 150 W CA -2.586 54.747 57.345 -0.020 0.000 1.774 150 W CB 1.124 30.527 29.460 -0.095 0.000 1.950 150 W HN 0.086 nan 8.180 nan 0.000 0.384 151 P HA 0.044 nan 4.420 nan 0.000 0.272 151 P C 0.169 177.693 177.300 0.373 0.000 1.230 151 P CA 0.481 63.737 63.100 0.261 0.000 0.788 151 P CB 1.498 33.291 31.700 0.156 0.000 0.949 152 E N 0.377 120.743 120.200 0.276 0.000 2.422 152 E HA 0.104 4.456 4.350 0.004 0.000 0.260 152 E C 0.039 176.744 176.600 0.175 0.000 1.108 152 E CA 0.201 56.751 56.400 0.250 0.000 0.943 152 E CB 0.329 30.107 29.700 0.130 0.000 0.961 152 E HN 0.451 nan 8.360 nan 0.000 0.443 153 E N 0.596 120.805 120.200 0.014 0.000 2.343 153 E HA 0.342 4.695 4.350 0.004 0.000 0.270 153 E C -1.854 174.679 176.600 -0.112 0.000 0.895 153 E CA -0.811 55.564 56.400 -0.040 0.000 0.767 153 E CB 1.810 31.449 29.700 -0.103 0.000 1.248 153 E HN 0.186 nan 8.360 nan 0.000 0.440 154 V N 3.397 123.300 119.914 -0.019 0.000 2.417 154 V HA 0.532 4.655 4.120 0.004 0.000 0.291 154 V C -0.700 175.403 176.094 0.014 0.000 1.024 154 V CA -0.793 61.481 62.300 -0.043 0.000 0.861 154 V CB 1.568 33.332 31.823 -0.098 0.000 0.985 154 V HN 0.580 nan 8.190 nan 0.000 0.436 155 V N 6.256 126.158 119.914 -0.021 0.000 2.487 155 V HA 0.475 4.598 4.120 0.004 0.000 0.298 155 V C -0.483 175.615 176.094 0.007 0.000 1.028 155 V CA -0.647 61.660 62.300 0.011 0.000 0.860 155 V CB 1.693 33.513 31.823 -0.004 0.000 0.991 155 V HN 0.596 nan 8.190 nan 0.000 0.427 156 L N 3.770 125.005 121.223 0.019 0.000 2.292 156 L HA 0.426 4.768 4.340 0.004 0.000 0.284 156 L C 0.519 177.386 176.870 -0.004 0.000 1.065 156 L CA 0.311 55.155 54.840 0.007 0.000 0.806 156 L CB 0.798 42.865 42.059 0.014 0.000 1.175 156 L HN 0.571 nan 8.230 nan 0.000 0.431 157 D N 4.117 124.517 120.400 -0.001 0.000 2.468 157 D HA 0.177 4.820 4.640 0.004 0.000 0.218 157 D C -0.656 175.646 176.300 0.004 0.000 1.155 157 D CA -0.137 53.863 54.000 -0.000 0.000 0.924 157 D CB 0.643 41.446 40.800 0.005 0.000 1.029 157 D HN 0.335 nan 8.370 nan 0.000 0.515 158 L N 2.722 123.940 121.223 -0.008 0.000 2.312 158 L HA 0.233 4.575 4.340 0.004 0.000 0.281 158 L C 0.543 177.434 176.870 0.035 0.000 1.070 158 L CA -0.419 54.425 54.840 0.007 0.000 0.805 158 L CB 1.647 43.677 42.059 -0.049 0.000 1.174 158 L HN 0.335 nan 8.230 nan 0.000 0.434 159 E N 3.469 123.718 120.200 0.081 0.000 2.167 159 E HA 0.303 4.655 4.350 0.004 0.000 0.284 159 E C -1.509 175.205 176.600 0.190 0.000 1.016 159 E CA -0.588 55.873 56.400 0.102 0.000 0.817 159 E CB 1.344 31.094 29.700 0.084 0.000 1.080 159 E HN 0.316 nan 8.360 nan 0.000 0.397 160 V N 5.490 125.508 119.914 0.173 0.000 2.326 160 V HA 0.161 4.283 4.120 0.004 0.000 0.281 160 V C 0.363 176.564 176.094 0.179 0.000 1.015 160 V CA -0.750 61.696 62.300 0.244 0.000 0.823 160 V CB 0.995 32.903 31.823 0.141 0.000 1.009 160 V HN 0.867 nan 8.190 nan 0.000 0.436 161 T N 3.555 118.201 114.554 0.154 0.000 2.856 161 T HA 0.189 4.541 4.350 0.004 0.000 0.306 161 T C -1.546 173.192 174.700 0.065 0.000 1.062 161 T CA -1.252 60.894 62.100 0.077 0.000 1.083 161 T CB 0.827 69.704 68.868 0.016 0.000 0.984 161 T HN 0.355 nan 8.240 nan 0.000 0.542 162 P HA -0.188 nan 4.420 nan 0.000 0.218 162 P C 1.315 178.624 177.300 0.014 0.000 1.152 162 P CA 1.704 64.814 63.100 0.016 0.000 0.857 162 P CB -0.287 31.424 31.700 0.017 0.000 0.787 163 N N -1.766 116.944 118.700 0.018 0.000 2.512 163 N HA -0.082 4.660 4.740 0.004 0.000 0.183 163 N C 0.486 176.015 175.510 0.032 0.000 1.073 163 N CA 0.335 53.395 53.050 0.016 0.000 0.911 163 N CB -0.041 38.448 38.487 0.004 0.000 0.964 163 N HN -0.166 nan 8.380 nan 0.000 0.447 164 R N 0.786 121.323 120.500 0.063 0.000 2.724 164 R HA 0.233 4.575 4.340 0.004 0.000 0.284 164 R C -1.948 174.404 176.300 0.087 0.000 1.481 164 R CA -1.965 54.204 56.100 0.115 0.000 1.652 164 R CB 1.022 31.475 30.300 0.255 0.000 1.175 164 R HN 0.322 nan 8.270 nan 0.000 0.613 165 P HA -0.115 nan 4.420 nan 0.000 0.225 165 P C 0.495 177.782 177.300 -0.022 0.000 1.156 165 P CA 0.873 63.962 63.100 -0.018 0.000 0.787 165 P CB 0.390 32.070 31.700 -0.033 0.000 0.802 166 D N 0.893 121.305 120.400 0.020 0.000 2.264 166 D HA -0.094 4.548 4.640 0.004 0.000 0.208 166 D C 1.628 177.894 176.300 -0.057 0.000 0.966 166 D CA 0.835 54.841 54.000 0.009 0.000 0.864 166 D CB -0.781 40.102 40.800 0.139 0.000 0.933 166 D HN 0.111 nan 8.370 nan 0.000 0.499 167 A N 0.410 123.211 122.820 -0.031 0.000 2.235 167 A HA 0.150 4.472 4.320 0.004 0.000 0.208 167 A C 2.086 179.561 177.584 -0.181 0.000 1.172 167 A CA -0.100 51.849 52.037 -0.147 0.000 0.786 167 A CB -0.686 18.233 19.000 -0.136 0.000 0.804 167 A HN 0.246 nan 8.150 nan 0.000 0.479 168 L N -0.193 120.957 121.223 -0.121 0.000 2.660 168 L HA 0.190 4.533 4.340 0.004 0.000 0.238 168 L C 0.967 177.733 176.870 -0.173 0.000 1.161 168 L CA 0.046 54.816 54.840 -0.116 0.000 0.937 168 L CB 0.018 42.034 42.059 -0.071 0.000 1.122 168 L HN 0.411 nan 8.230 nan 0.000 0.435 169 G N -1.382 107.285 108.800 -0.223 0.000 2.643 169 G HA2 0.396 4.359 3.960 0.004 0.000 0.305 169 G HA3 0.396 4.359 3.960 0.004 0.000 0.305 169 G C 0.237 174.929 174.900 -0.347 0.000 1.387 169 G CA -0.561 44.372 45.100 -0.277 0.000 0.982 169 G HN -0.218 nan 8.290 nan 0.000 0.501 170 L N 1.919 122.884 121.223 -0.430 0.000 2.079 170 L HA -0.041 4.301 4.340 0.004 0.000 0.210 170 L C 2.769 179.393 176.870 -0.410 0.000 1.081 170 L CA 1.172 55.754 54.840 -0.430 0.000 0.752 170 L CB -0.772 40.954 42.059 -0.555 0.000 0.896 170 L HN 0.609 nan 8.230 nan 0.000 0.433 171 L N -1.060 119.819 121.223 -0.574 0.000 2.141 171 L HA -0.121 4.221 4.340 0.004 0.000 0.209 171 L C 2.267 178.892 176.870 -0.409 0.000 1.094 171 L CA 1.219 55.663 54.840 -0.659 0.000 0.763 171 L CB -0.571 41.071 42.059 -0.696 0.000 0.908 171 L HN 0.398 nan 8.230 nan 0.000 0.437 172 G N -0.331 108.260 108.800 -0.350 0.000 2.408 172 G HA2 -0.247 3.715 3.960 0.004 0.000 0.217 172 G HA3 -0.247 3.715 3.960 0.004 0.000 0.217 172 G C 1.455 176.226 174.900 -0.214 0.000 1.150 172 G CA 0.228 45.164 45.100 -0.275 0.000 0.776 172 G HN 0.191 nan 8.290 nan 0.000 0.542 173 L N 1.432 122.493 121.223 -0.269 0.000 2.017 173 L HA 0.115 4.458 4.340 0.004 0.000 0.208 173 L C 3.218 179.981 176.870 -0.178 0.000 1.073 173 L CA 1.730 56.399 54.840 -0.286 0.000 0.745 173 L CB -0.955 40.887 42.059 -0.362 0.000 0.894 173 L HN 0.276 nan 8.230 nan 0.000 0.432 174 A N -1.059 121.657 122.820 -0.173 0.000 1.978 174 A HA -0.264 4.059 4.320 0.004 0.000 0.220 174 A C 2.526 180.085 177.584 -0.041 0.000 1.170 174 A CA 1.856 53.831 52.037 -0.102 0.000 0.636 174 A CB -0.576 18.380 19.000 -0.074 0.000 0.810 174 A HN 0.414 nan 8.150 nan 0.000 0.448 175 R N -0.741 119.716 120.500 -0.071 0.000 2.090 175 R HA -0.125 4.217 4.340 0.004 0.000 0.228 175 R C 1.446 177.804 176.300 0.097 0.000 1.110 175 R CA 1.480 57.584 56.100 0.007 0.000 0.973 175 R CB -0.234 30.032 30.300 -0.058 0.000 0.869 175 R HN 0.441 nan 8.270 nan 0.000 0.440 176 D N 0.344 120.780 120.400 0.060 0.000 2.117 176 D HA -0.129 4.513 4.640 0.004 0.000 0.197 176 D C 1.835 178.198 176.300 0.104 0.000 0.987 176 D CA 0.996 55.057 54.000 0.101 0.000 0.829 176 D CB 0.003 40.890 40.800 0.145 0.000 0.961 176 D HN 0.192 nan 8.370 nan 0.000 0.460 177 L N -0.108 121.158 121.223 0.073 0.000 2.093 177 L HA -0.165 4.177 4.340 0.004 0.000 0.208 177 L C 2.486 179.497 176.870 0.236 0.000 1.085 177 L CA 1.059 55.956 54.840 0.096 0.000 0.755 177 L CB -0.533 41.453 42.059 -0.123 0.000 0.904 177 L HN 0.291 nan 8.230 nan 0.000 0.435 178 H N 0.559 119.686 119.070 0.094 0.000 2.352 178 H HA -0.191 4.367 4.556 0.004 0.000 0.299 178 H C 2.076 177.458 175.328 0.090 0.000 1.097 178 H CA 1.536 57.651 56.048 0.111 0.000 1.311 178 H CB 0.343 30.134 29.762 0.049 0.000 1.377 178 H HN 0.340 nan 8.280 nan 0.000 0.504 179 A N 1.111 123.934 122.820 0.005 0.000 1.978 179 A HA -0.125 4.198 4.320 0.004 0.000 0.220 179 A C 2.371 179.906 177.584 -0.081 0.000 1.170 179 A CA 1.080 53.074 52.037 -0.073 0.000 0.636 179 A CB -0.579 18.430 19.000 0.015 0.000 0.810 179 A HN 0.373 nan 8.150 nan 0.000 0.448 180 L N -1.741 119.486 121.223 0.007 0.000 2.376 180 L HA 0.118 4.461 4.340 0.004 0.000 0.219 180 L C 1.879 178.700 176.870 -0.081 0.000 1.133 180 L CA 1.659 56.505 54.840 0.010 0.000 0.816 180 L CB -0.455 41.689 42.059 0.142 0.000 0.933 180 L HN 0.652 nan 8.230 nan 0.000 0.449 181 G N -3.725 105.004 108.800 -0.119 0.000 2.367 181 G HA2 -0.225 3.737 3.960 0.004 0.000 0.181 181 G HA3 -0.225 3.737 3.960 0.004 0.000 0.181 181 G C 0.110 174.914 174.900 -0.160 0.000 1.000 181 G CA -0.390 44.595 45.100 -0.192 0.000 0.693 181 G HN 0.170 nan 8.290 nan 0.000 0.480 182 Y N 1.831 122.097 120.300 -0.057 0.000 2.480 182 Y HA 0.478 5.030 4.550 0.004 0.000 0.338 182 Y C 1.225 177.179 175.900 0.091 0.000 1.220 182 Y CA 0.445 58.553 58.100 0.014 0.000 1.430 182 Y CB 0.765 39.247 38.460 0.037 0.000 1.311 182 Y HN 0.413 nan 8.280 nan 0.000 0.575 183 A N 3.300 126.280 122.820 0.267 0.000 2.425 183 A HA 0.420 4.743 4.320 0.004 0.000 0.249 183 A C -0.974 176.756 177.584 0.242 0.000 1.084 183 A CA -0.407 51.774 52.037 0.239 0.000 0.781 183 A CB 0.160 19.241 19.000 0.135 0.000 1.019 183 A HN 0.642 nan 8.150 nan 0.000 0.490 184 L N 3.067 124.400 121.223 0.184 0.000 2.322 184 L HA 0.620 4.963 4.340 0.004 0.000 0.281 184 L C -0.785 176.078 176.870 -0.011 0.000 1.014 184 L CA -0.148 54.701 54.840 0.015 0.000 0.815 184 L CB 1.938 43.818 42.059 -0.299 0.000 1.247 184 L HN 0.345 nan 8.230 nan 0.000 0.421 185 V N 5.055 124.986 119.914 0.028 0.000 2.284 185 V HA 0.392 4.514 4.120 0.004 0.000 0.274 185 V C -0.101 176.039 176.094 0.078 0.000 1.023 185 V CA -0.650 61.672 62.300 0.036 0.000 0.808 185 V CB 0.960 32.804 31.823 0.035 0.000 1.035 185 V HN 0.753 nan 8.190 nan 0.000 0.445 186 E N 6.189 126.396 120.200 0.012 0.000 2.283 186 E HA 0.327 4.680 4.350 0.004 0.000 0.278 186 E C -2.131 174.493 176.600 0.040 0.000 1.027 186 E CA -1.582 54.819 56.400 0.000 0.000 0.843 186 E CB 1.080 30.740 29.700 -0.067 0.000 1.062 186 E HN 0.499 nan 8.360 nan 0.000 0.401 187 P HA -0.037 nan 4.420 nan 0.000 0.268 187 P C -1.077 176.243 177.300 0.032 0.000 1.204 187 P CA 0.007 63.156 63.100 0.082 0.000 0.768 187 P CB 0.499 32.290 31.700 0.152 0.000 0.842 188 E N 1.493 121.702 120.200 0.015 0.000 2.200 188 E HA 0.505 4.858 4.350 0.004 0.000 0.283 188 E C -0.418 176.186 176.600 0.007 0.000 1.015 188 E CA -1.164 55.238 56.400 0.003 0.000 0.819 188 E CB 0.941 30.637 29.700 -0.007 0.000 1.081 188 E HN 0.364 nan 8.360 nan 0.000 0.397 189 A N 3.530 126.355 122.820 0.009 0.000 3.078 189 A HA 0.460 4.783 4.320 0.004 0.000 0.279 189 A C 0.420 178.006 177.584 0.004 0.000 1.594 189 A CA -0.389 51.655 52.037 0.012 0.000 1.301 189 A CB -0.506 18.503 19.000 0.016 0.000 1.162 189 A HN 0.738 nan 8.150 nan 0.000 0.585 190 A N 2.255 125.073 122.820 -0.003 0.000 2.476 190 A HA 0.502 4.824 4.320 0.004 0.000 0.275 190 A C -0.100 177.478 177.584 -0.009 0.000 1.133 190 A CA 0.323 52.355 52.037 -0.008 0.000 0.797 190 A CB -0.204 18.787 19.000 -0.016 0.000 1.081 190 A HN 0.826 nan 8.150 nan 0.000 0.510 191 L N 2.898 124.117 121.223 -0.006 0.000 2.410 191 L HA 0.453 4.795 4.340 0.004 0.000 0.270 191 L C 0.028 176.893 176.870 -0.008 0.000 0.983 191 L CA -0.531 54.304 54.840 -0.008 0.000 0.822 191 L CB 2.050 44.109 42.059 0.001 0.000 1.285 191 L HN 0.782 nan 8.230 nan 0.000 0.409 192 K N 4.267 124.657 120.400 -0.017 0.000 2.360 192 K HA 0.550 4.873 4.320 0.004 0.000 0.235 192 K C -0.276 176.318 176.600 -0.010 0.000 1.077 192 K CA -0.317 55.962 56.287 -0.014 0.000 1.035 192 K CB 1.008 33.494 32.500 -0.023 0.000 1.623 192 K HN 0.680 nan 8.250 nan 0.000 0.462 193 A N 3.152 125.977 122.820 0.008 0.000 2.267 193 A HA 0.340 4.662 4.320 0.004 0.000 0.271 193 A C -0.599 177.012 177.584 0.045 0.000 1.131 193 A CA -0.197 51.857 52.037 0.029 0.000 0.818 193 A CB 0.401 19.427 19.000 0.043 0.000 1.118 193 A HN 0.761 nan 8.150 nan 0.000 0.501 194 E N -1.021 119.229 120.200 0.082 0.000 2.308 194 E HA 0.477 4.830 4.350 0.004 0.000 0.275 194 E C -1.084 175.578 176.600 0.103 0.000 0.890 194 E CA -0.751 55.709 56.400 0.099 0.000 0.754 194 E CB 2.070 31.860 29.700 0.151 0.000 1.207 194 E HN 0.755 nan 8.360 nan 0.000 0.426 195 A N 4.712 127.576 122.820 0.073 0.000 2.666 195 A HA 0.399 4.721 4.320 0.004 0.000 0.301 195 A C -0.482 177.135 177.584 0.055 0.000 1.470 195 A CA 0.166 52.237 52.037 0.057 0.000 1.159 195 A CB -0.657 18.366 19.000 0.038 0.000 1.116 195 A HN 0.468 nan 8.150 nan 0.000 0.548 196 L N 3.098 124.361 121.223 0.066 0.000 2.376 196 L HA 0.600 4.943 4.340 0.004 0.000 0.258 196 L C -2.258 174.610 176.870 -0.004 0.000 1.013 196 L CA -2.082 52.780 54.840 0.037 0.000 0.822 196 L CB 2.445 44.543 42.059 0.064 0.000 1.388 196 L HN 0.416 nan 8.230 nan 0.000 0.413 197 P HA 0.311 nan 4.420 nan 0.000 0.282 197 P C -1.126 176.014 177.300 -0.268 0.000 1.249 197 P CA -0.473 62.545 63.100 -0.136 0.000 0.806 197 P CB 1.216 32.840 31.700 -0.126 0.000 0.984 198 L N 4.616 125.590 121.223 -0.415 0.000 2.361 198 L HA 0.171 4.513 4.340 0.004 0.000 0.278 198 L C -1.173 175.190 176.870 -0.845 0.000 1.113 198 L CA -1.593 52.734 54.840 -0.856 0.000 0.849 198 L CB 0.600 41.995 42.059 -1.107 0.000 1.155 198 L HN 0.260 nan 8.230 nan 0.000 0.452 199 P HA 0.013 nan 4.420 nan 0.000 0.286 199 P C -0.828 176.377 177.300 -0.158 0.000 1.577 199 P CA 0.353 63.230 63.100 -0.371 0.000 0.805 199 P CB -0.542 31.005 31.700 -0.256 0.000 1.706 200 F N -3.223 116.572 119.950 -0.258 0.000 2.807 200 F HA 0.748 5.278 4.527 0.004 0.000 0.316 200 F C -1.835 173.875 175.800 -0.150 0.000 1.162 200 F CA -1.760 56.106 58.000 -0.223 0.000 0.910 200 F CB 0.295 39.159 39.000 -0.227 0.000 1.314 200 F HN -0.060 nan 8.300 nan 0.000 0.454 201 A N 1.033 123.909 122.820 0.093 0.000 2.387 201 A HA 0.901 5.224 4.320 0.004 0.000 0.303 201 A C -2.153 175.592 177.584 0.269 0.000 1.145 201 A CA -0.922 51.195 52.037 0.133 0.000 0.801 201 A CB 1.803 20.924 19.000 0.201 0.000 1.342 201 A HN 1.412 nan 8.150 nan 0.000 0.440 202 L N 0.211 121.590 121.223 0.259 0.000 2.362 202 L HA 0.757 5.099 4.340 0.004 0.000 0.275 202 L C -0.494 176.492 176.870 0.193 0.000 0.998 202 L CA -0.231 54.758 54.840 0.248 0.000 0.820 202 L CB 1.585 43.784 42.059 0.233 0.000 1.270 202 L HN 0.665 nan 8.230 nan 0.000 0.415 203 K N 4.584 125.071 120.400 0.144 0.000 2.656 203 K HA 0.509 4.831 4.320 0.004 0.000 0.241 203 K C -1.796 174.754 176.600 -0.083 0.000 0.967 203 K CA -0.575 55.721 56.287 0.015 0.000 0.946 203 K CB 1.442 33.894 32.500 -0.080 0.000 1.164 203 K HN 0.520 nan 8.250 nan 0.000 0.459 204 V N 4.893 124.753 119.914 -0.092 0.000 2.322 204 V HA 0.098 4.220 4.120 0.004 0.000 0.258 204 V C 0.752 176.791 176.094 -0.092 0.000 1.074 204 V CA -0.086 62.136 62.300 -0.132 0.000 0.909 204 V CB 0.791 32.558 31.823 -0.093 0.000 1.090 204 V HN 0.858 nan 8.190 nan 0.000 0.486 205 E N 1.995 122.130 120.200 -0.108 0.000 2.482 205 E HA -0.031 4.321 4.350 0.004 0.000 0.196 205 E C 0.435 176.998 176.600 -0.062 0.000 1.047 205 E CA 0.368 56.713 56.400 -0.091 0.000 0.869 205 E CB 0.347 29.981 29.700 -0.111 0.000 0.836 205 E HN 0.634 nan 8.360 nan 0.000 0.520 206 D N -0.207 120.162 120.400 -0.052 0.000 2.517 206 D HA 0.059 4.702 4.640 0.004 0.000 0.263 206 D C -2.116 174.186 176.300 0.004 0.000 1.233 206 D CA -1.728 52.259 54.000 -0.023 0.000 0.849 206 D CB 1.011 41.798 40.800 -0.021 0.000 1.261 206 D HN -0.095 nan 8.370 nan 0.000 0.516 207 P HA -0.056 nan 4.420 nan 0.000 0.234 207 P C 1.015 178.345 177.300 0.049 0.000 1.167 207 P CA 0.346 63.468 63.100 0.036 0.000 0.763 207 P CB 0.800 32.517 31.700 0.028 0.000 0.835 208 E N 0.551 120.774 120.200 0.039 0.000 2.086 208 E HA -0.032 4.321 4.350 0.004 0.000 0.190 208 E C 2.070 178.707 176.600 0.062 0.000 0.975 208 E CA 1.125 57.551 56.400 0.042 0.000 0.813 208 E CB -0.475 29.242 29.700 0.028 0.000 0.768 208 E HN 0.215 nan 8.360 nan 0.000 0.457 209 G N 0.032 108.873 108.800 0.068 0.000 2.683 209 G HA2 0.128 4.091 3.960 0.004 0.000 0.213 209 G HA3 0.128 4.091 3.960 0.004 0.000 0.213 209 G C 0.597 175.618 174.900 0.201 0.000 1.142 209 G CA 0.537 45.697 45.100 0.100 0.000 0.793 209 G HN 0.252 nan 8.290 nan 0.000 0.534 210 A N 0.359 123.290 122.820 0.185 0.000 3.216 210 A HA 0.667 4.989 4.320 0.004 0.000 0.321 210 A C -1.663 176.011 177.584 0.150 0.000 1.042 210 A CA -0.834 51.344 52.037 0.235 0.000 0.838 210 A CB 1.150 20.341 19.000 0.319 0.000 1.136 210 A HN -0.015 nan 8.150 nan 0.000 0.483 211 P HA -0.133 nan 4.420 nan 0.000 0.218 211 P C 0.145 177.553 177.300 0.180 0.000 1.146 211 P CA 1.686 64.855 63.100 0.114 0.000 0.813 211 P CB 0.090 31.842 31.700 0.086 0.000 0.778 212 H N -2.102 116.993 119.070 0.041 0.000 2.877 212 H HA 0.573 5.131 4.556 0.004 0.000 0.347 212 H C -1.895 173.474 175.328 0.070 0.000 1.042 212 H CA -1.383 54.694 56.048 0.048 0.000 1.276 212 H CB 0.419 30.186 29.762 0.009 0.000 1.681 212 H HN -0.236 nan 8.280 nan 0.000 0.521 213 F N 3.866 123.720 119.950 -0.159 0.000 2.588 213 F HA 0.487 5.016 4.527 0.004 0.000 0.318 213 F C -1.085 174.620 175.800 -0.159 0.000 1.155 213 F CA -0.198 57.697 58.000 -0.174 0.000 0.967 213 F CB 1.765 40.743 39.000 -0.037 0.000 1.236 213 F HN 0.601 nan 8.300 nan 0.000 0.455 214 T N 4.025 118.320 114.554 -0.431 0.000 2.916 214 T HA 0.816 5.168 4.350 0.004 0.000 0.292 214 T C -1.368 173.253 174.700 -0.132 0.000 1.055 214 T CA -0.870 61.128 62.100 -0.170 0.000 1.009 214 T CB 2.028 70.782 68.868 -0.190 0.000 1.118 214 T HN 0.608 nan 8.240 nan 0.000 0.497 215 L N 1.354 122.638 121.223 0.101 0.000 2.409 215 L HA 0.714 5.057 4.340 0.004 0.000 0.272 215 L C 0.526 177.548 176.870 0.253 0.000 0.980 215 L CA -0.968 54.001 54.840 0.215 0.000 0.826 215 L CB 2.139 44.452 42.059 0.424 0.000 1.268 215 L HN 1.054 nan 8.230 nan 0.000 0.407 216 G N 0.943 109.887 108.800 0.240 0.000 2.434 216 G HA2 0.472 4.435 3.960 0.004 0.000 0.330 216 G HA3 0.472 4.435 3.960 0.004 0.000 0.330 216 G C -2.082 173.078 174.900 0.434 0.000 1.155 216 G CA -0.215 45.041 45.100 0.261 0.000 0.917 216 G HN 0.424 nan 8.290 nan 0.000 0.493 217 Y N 0.882 121.344 120.300 0.270 0.000 2.332 217 Y HA 0.652 5.204 4.550 0.004 0.000 0.326 217 Y C -0.376 175.708 175.900 0.307 0.000 0.978 217 Y CA -1.687 56.623 58.100 0.350 0.000 1.205 217 Y CB 1.293 39.967 38.460 0.356 0.000 1.131 217 Y HN 0.747 nan 8.280 nan 0.000 0.462 218 A N 7.252 130.056 122.820 -0.027 0.000 2.356 218 A HA 0.812 5.134 4.320 0.004 0.000 0.310 218 A C -1.635 175.860 177.584 -0.147 0.000 1.075 218 A CA -0.466 51.473 52.037 -0.163 0.000 0.746 218 A CB 0.479 19.434 19.000 -0.075 0.000 1.221 218 A HN 0.736 nan 8.150 nan 0.000 0.443 219 F N -0.508 119.201 119.950 -0.401 0.000 2.706 219 F HA 0.817 5.346 4.527 0.004 0.000 0.328 219 F C 0.871 176.597 175.800 -0.124 0.000 1.123 219 F CA -1.152 56.711 58.000 -0.228 0.000 0.978 219 F CB 0.741 39.596 39.000 -0.242 0.000 1.404 219 F HN 1.425 nan 8.300 nan 0.000 0.497 220 G N 1.004 109.808 108.800 0.005 0.000 2.249 220 G HA2 -0.247 3.716 3.960 0.004 0.000 0.273 220 G HA3 -0.247 3.716 3.960 0.004 0.000 0.273 220 G C -0.489 174.343 174.900 -0.112 0.000 1.036 220 G CA 0.156 45.207 45.100 -0.080 0.000 0.824 220 G HN 0.749 nan 8.290 nan 0.000 0.504 221 L N -0.550 120.634 121.223 -0.065 0.000 2.410 221 L HA 0.365 4.707 4.340 0.004 0.000 0.273 221 L C 1.325 178.169 176.870 -0.044 0.000 1.152 221 L CA -0.320 54.481 54.840 -0.065 0.000 0.855 221 L CB 0.972 43.008 42.059 -0.039 0.000 1.129 221 L HN 0.266 nan 8.230 nan 0.000 0.463 222 R N 3.303 123.771 120.500 -0.053 0.000 2.790 222 R HA 0.312 4.654 4.340 0.004 0.000 0.274 222 R C -1.062 175.214 176.300 -0.040 0.000 1.334 222 R CA -0.567 55.509 56.100 -0.039 0.000 1.543 222 R CB 0.545 30.820 30.300 -0.040 0.000 1.154 222 R HN 0.443 nan 8.270 nan 0.000 0.601 223 V N 3.338 123.231 119.914 -0.034 0.000 2.557 223 V HA 0.236 4.358 4.120 0.004 0.000 0.301 223 V C 0.506 176.579 176.094 -0.035 0.000 1.026 223 V CA 0.977 63.255 62.300 -0.038 0.000 1.137 223 V CB 0.535 32.341 31.823 -0.028 0.000 0.917 223 V HN 0.867 nan 8.190 nan 0.000 0.484 224 A N 6.847 129.641 122.820 -0.044 0.000 2.564 224 A HA 0.829 5.151 4.320 0.004 0.000 0.291 224 A C -3.182 174.375 177.584 -0.044 0.000 1.102 224 A CA -1.461 50.556 52.037 -0.034 0.000 0.660 224 A CB 1.433 20.418 19.000 -0.025 0.000 1.283 224 A HN 0.556 nan 8.150 nan 0.000 0.430 225 P HA 0.265 nan 4.420 nan 0.000 0.269 225 P C -0.201 177.059 177.300 -0.066 0.000 1.209 225 P CA 0.268 63.358 63.100 -0.017 0.000 0.776 225 P CB 0.628 32.362 31.700 0.058 0.000 0.876 226 S N 4.173 119.797 115.700 -0.127 0.000 2.585 226 S HA 0.224 4.697 4.470 0.004 0.000 0.273 226 S C -1.934 172.492 174.600 -0.290 0.000 1.339 226 S CA -0.795 57.246 58.200 -0.265 0.000 1.028 226 S CB -0.511 62.468 63.200 -0.369 0.000 0.906 226 S HN 0.432 nan 8.310 nan 0.000 0.528 227 P HA 0.072 nan 4.420 nan 0.000 0.269 227 P C 0.765 177.766 177.300 -0.498 0.000 1.217 227 P CA -0.226 62.631 63.100 -0.405 0.000 0.783 227 P CB 0.466 31.916 31.700 -0.417 0.000 0.898 228 L N 0.545 121.578 121.223 -0.316 0.000 2.043 228 L HA -0.182 4.160 4.340 0.004 0.000 0.212 228 L C 2.723 179.313 176.870 -0.466 0.000 1.075 228 L CA 1.798 56.422 54.840 -0.360 0.000 0.752 228 L CB -1.062 40.828 42.059 -0.282 0.000 0.891 228 L HN 0.602 nan 8.230 nan 0.000 0.432 229 W N -0.107 120.967 121.300 -0.378 0.000 2.363 229 W HA -0.251 4.411 4.660 0.004 0.000 0.296 229 W C 2.157 178.409 176.519 -0.446 0.000 1.212 229 W CA 1.128 58.228 57.345 -0.408 0.000 1.260 229 W CB -0.872 28.389 29.460 -0.332 0.000 1.131 229 W HN 0.210 nan 8.180 nan 0.000 0.530 230 M N 1.415 120.310 119.600 -1.175 0.000 2.200 230 M HA -0.163 4.319 4.480 0.004 0.000 0.265 230 M C 2.546 178.480 176.300 -0.611 0.000 1.066 230 M CA 1.760 56.383 55.300 -1.130 0.000 1.127 230 M CB -0.252 31.419 32.600 -1.547 0.000 1.379 230 M HN -0.019 nan 8.290 nan 0.000 0.420 231 Q N -0.369 119.117 119.800 -0.523 0.000 2.119 231 Q HA -0.217 4.126 4.340 0.004 0.000 0.201 231 Q C 2.121 177.972 176.000 -0.248 0.000 0.972 231 Q CA 1.580 57.206 55.803 -0.294 0.000 0.847 231 Q CB -0.301 28.430 28.738 -0.012 0.000 0.903 231 Q HN 0.555 nan 8.270 nan 0.000 0.433 232 R N 0.696 120.789 120.500 -0.679 0.000 2.073 232 R HA -0.144 4.199 4.340 0.004 0.000 0.234 232 R C 2.218 178.481 176.300 -0.061 0.000 1.134 232 R CA 1.303 56.950 56.100 -0.755 0.000 0.952 232 R CB -0.269 29.347 30.300 -1.140 0.000 0.850 232 R HN 0.223 nan 8.270 nan 0.000 0.433 233 A N 1.117 123.856 122.820 -0.136 0.000 1.865 233 A HA -0.157 4.165 4.320 0.004 0.000 0.217 233 A C 2.222 179.916 177.584 0.184 0.000 1.191 233 A CA 1.496 53.512 52.037 -0.035 0.000 0.623 233 A CB -0.687 18.011 19.000 -0.504 0.000 0.826 233 A HN 0.361 nan 8.150 nan 0.000 0.444 234 L N -2.244 119.002 121.223 0.039 0.000 2.017 234 L HA -0.161 4.181 4.340 0.004 0.000 0.208 234 L C 2.536 179.522 176.870 0.193 0.000 1.073 234 L CA 1.280 56.187 54.840 0.112 0.000 0.745 234 L CB -0.623 41.376 42.059 -0.101 0.000 0.894 234 L HN 0.334 nan 8.230 nan 0.000 0.432 235 F N 0.402 120.478 119.950 0.209 0.000 2.126 235 F HA -0.238 4.292 4.527 0.004 0.000 0.299 235 F C 2.616 178.684 175.800 0.446 0.000 1.096 235 F CA 1.230 59.410 58.000 0.301 0.000 1.255 235 F CB -0.920 38.259 39.000 0.298 0.000 0.997 235 F HN 0.017 nan 8.300 nan 0.000 0.479 236 A N -0.305 122.979 122.820 0.774 0.000 1.933 236 A HA -0.039 4.284 4.320 0.004 0.000 0.218 236 A C 2.227 180.030 177.584 0.365 0.000 1.175 236 A CA 1.624 54.016 52.037 0.591 0.000 0.628 236 A CB -1.237 18.067 19.000 0.506 0.000 0.814 236 A HN 0.268 nan 8.150 nan 0.000 0.444 237 A N -1.716 121.329 122.820 0.375 0.000 2.259 237 A HA 0.416 4.738 4.320 0.004 0.000 0.208 237 A C 1.672 179.369 177.584 0.188 0.000 1.201 237 A CA 1.125 53.309 52.037 0.245 0.000 0.824 237 A CB -1.099 18.069 19.000 0.281 0.000 0.838 237 A HN 1.926 nan 8.150 nan 0.000 0.485 238 G N -1.591 107.354 108.800 0.241 0.000 2.136 238 G HA2 -0.219 3.743 3.960 0.004 0.000 0.242 238 G HA3 -0.219 3.743 3.960 0.004 0.000 0.242 238 G C 0.030 175.029 174.900 0.165 0.000 0.989 238 G CA 0.476 45.696 45.100 0.201 0.000 0.682 238 G HN 0.390 nan 8.290 nan 0.000 0.522 239 M N -0.566 119.123 119.600 0.148 0.000 2.528 239 M HA 0.468 4.950 4.480 0.004 0.000 0.321 239 M C 0.395 176.641 176.300 -0.089 0.000 1.153 239 M CA -0.862 54.466 55.300 0.047 0.000 0.951 239 M CB 2.205 34.826 32.600 0.035 0.000 1.705 239 M HN 0.160 nan 8.290 nan 0.000 0.451 240 R N 3.296 123.716 120.500 -0.133 0.000 2.221 240 R HA 0.420 4.763 4.340 0.004 0.000 0.327 240 R C -2.357 173.720 176.300 -0.372 0.000 1.033 240 R CA -1.369 54.545 56.100 -0.309 0.000 0.887 240 R CB 0.868 31.084 30.300 -0.139 0.000 1.057 240 R HN 0.307 nan 8.270 nan 0.000 0.455 241 P HA 0.022 nan 4.420 nan 0.000 0.271 241 P C -0.051 177.112 177.300 -0.229 0.000 1.216 241 P CA -0.126 62.765 63.100 -0.349 0.000 0.776 241 P CB 0.977 32.460 31.700 -0.363 0.000 0.881 242 I N 0.970 121.435 120.570 -0.176 0.000 3.366 242 I HA 0.114 4.286 4.170 0.004 0.000 0.267 242 I C 0.860 176.911 176.117 -0.111 0.000 1.149 242 I CA 0.898 62.114 61.300 -0.141 0.000 1.436 242 I CB -1.048 36.877 38.000 -0.126 0.000 1.379 242 I HN 0.510 nan 8.210 nan 0.000 0.460 243 N N -1.325 117.305 118.700 -0.117 0.000 3.465 243 N HA 0.107 4.849 4.740 0.004 0.000 0.244 243 N C -0.000 175.435 175.510 -0.125 0.000 1.454 243 N CA -0.557 52.431 53.050 -0.103 0.000 0.865 243 N CB 0.319 38.758 38.487 -0.079 0.000 1.439 243 N HN -0.300 nan 8.380 nan 0.000 0.480 244 N N -0.310 118.320 118.700 -0.117 0.000 2.098 244 N HA -0.230 4.513 4.740 0.004 0.000 0.185 244 N C 1.500 176.932 175.510 -0.130 0.000 0.956 244 N CA 2.532 55.504 53.050 -0.130 0.000 0.888 244 N CB -0.934 37.494 38.487 -0.098 0.000 1.053 244 N HN 0.428 nan 8.380 nan 0.000 0.751 245 V N 0.807 120.658 119.914 -0.106 0.000 2.255 245 V HA -0.211 3.912 4.120 0.004 0.000 0.247 245 V C 2.538 178.563 176.094 -0.114 0.000 1.051 245 V CA 1.722 63.961 62.300 -0.102 0.000 1.018 245 V CB -0.702 31.066 31.823 -0.092 0.000 0.641 245 V HN 0.159 nan 8.190 nan 0.000 0.445 246 V N 0.399 120.239 119.914 -0.123 0.000 2.287 246 V HA -0.284 3.838 4.120 0.004 0.000 0.248 246 V C 2.311 178.344 176.094 -0.101 0.000 1.053 246 V CA 2.341 64.566 62.300 -0.126 0.000 1.027 246 V CB -0.837 30.914 31.823 -0.120 0.000 0.646 246 V HN 0.558 nan 8.190 nan 0.000 0.447 247 D N -0.028 120.301 120.400 -0.120 0.000 2.149 247 D HA -0.140 4.503 4.640 0.004 0.000 0.198 247 D C 2.141 178.396 176.300 -0.075 0.000 0.990 247 D CA 1.211 55.136 54.000 -0.123 0.000 0.839 247 D CB -0.465 40.212 40.800 -0.205 0.000 0.948 247 D HN 0.317 nan 8.370 nan 0.000 0.460 248 V N 1.239 121.097 119.914 -0.094 0.000 2.407 248 V HA -0.241 3.881 4.120 0.004 0.000 0.248 248 V C 2.702 178.825 176.094 0.049 0.000 1.055 248 V CA 2.205 64.483 62.300 -0.036 0.000 1.049 248 V CB -0.947 30.839 31.823 -0.062 0.000 0.662 248 V HN 0.417 nan 8.190 nan 0.000 0.455 249 T N -2.125 112.430 114.554 0.001 0.000 2.904 249 T HA -0.143 4.210 4.350 0.004 0.000 0.267 249 T C 1.718 176.450 174.700 0.052 0.000 1.059 249 T CA 1.424 63.532 62.100 0.014 0.000 1.137 249 T CB -0.373 68.468 68.868 -0.044 0.000 0.879 249 T HN 0.404 nan 8.240 nan 0.000 0.467 250 N N 0.359 119.093 118.700 0.056 0.000 2.207 250 N HA 0.009 4.752 4.740 0.004 0.000 0.182 250 N C 1.516 177.128 175.510 0.169 0.000 1.020 250 N CA 1.026 54.126 53.050 0.082 0.000 0.858 250 N CB -0.590 37.928 38.487 0.052 0.000 0.991 250 N HN 0.513 nan 8.380 nan 0.000 0.427 251 Y N 2.105 122.449 120.300 0.074 0.000 2.097 251 Y HA -0.200 4.353 4.550 0.004 0.000 0.282 251 Y C 2.269 178.319 175.900 0.250 0.000 1.152 251 Y CA 1.434 59.647 58.100 0.188 0.000 1.136 251 Y CB -0.408 38.070 38.460 0.031 0.000 0.975 251 Y HN -0.212 nan 8.280 nan 0.000 0.498 252 V N 0.941 121.025 119.914 0.282 0.000 2.490 252 V HA -0.370 3.753 4.120 0.004 0.000 0.250 252 V C 2.464 178.577 176.094 0.031 0.000 1.061 252 V CA 2.095 64.485 62.300 0.151 0.000 1.064 252 V CB -0.765 31.140 31.823 0.135 0.000 0.670 252 V HN 0.622 nan 8.190 nan 0.000 0.461 253 M N -0.355 119.265 119.600 0.033 0.000 2.086 253 M HA -0.181 4.301 4.480 0.004 0.000 0.261 253 M C 2.071 178.327 176.300 -0.074 0.000 1.067 253 M CA 2.094 57.378 55.300 -0.026 0.000 1.116 253 M CB -0.189 32.407 32.600 -0.006 0.000 1.348 253 M HN 0.252 nan 8.290 nan 0.000 0.407 254 L N -0.146 121.046 121.223 -0.051 0.000 2.275 254 L HA -0.159 4.184 4.340 0.004 0.000 0.215 254 L C 2.459 179.150 176.870 -0.298 0.000 1.119 254 L CA 1.394 56.136 54.840 -0.163 0.000 0.790 254 L CB -0.774 41.215 42.059 -0.116 0.000 0.919 254 L HN 0.528 nan 8.230 nan 0.000 0.443 255 E N 1.730 121.808 120.200 -0.203 0.000 2.112 255 E HA -0.159 4.193 4.350 0.004 0.000 0.190 255 E C 1.491 177.917 176.600 -0.291 0.000 0.979 255 E CA 0.659 56.911 56.400 -0.247 0.000 0.814 255 E CB 0.306 29.949 29.700 -0.095 0.000 0.762 255 E HN 0.498 nan 8.360 nan 0.000 0.460 256 R N -0.785 119.591 120.500 -0.206 0.000 2.668 256 R HA 0.526 4.868 4.340 0.004 0.000 0.435 256 R C 0.038 176.235 176.300 -0.173 0.000 1.059 256 R CA 0.215 56.191 56.100 -0.207 0.000 1.073 256 R CB 0.479 30.675 30.300 -0.174 0.000 1.401 256 R HN 0.101 nan 8.270 nan 0.000 0.590 257 A N 1.200 123.913 122.820 -0.178 0.000 2.596 257 A HA -0.258 4.065 4.320 0.004 0.000 0.300 257 A C 0.062 177.531 177.584 -0.192 0.000 1.495 257 A CA 1.629 53.561 52.037 -0.174 0.000 0.769 257 A CB -1.288 17.618 19.000 -0.156 0.000 1.047 257 A HN 0.665 nan 8.150 nan 0.000 0.436 258 Q N -0.822 118.876 119.800 -0.171 0.000 2.891 258 Q HA 0.526 4.868 4.340 0.004 0.000 0.242 258 Q C -2.967 172.954 176.000 -0.132 0.000 0.959 258 Q CA -1.961 53.744 55.803 -0.163 0.000 0.707 258 Q CB 1.314 29.999 28.738 -0.088 0.000 1.283 258 Q HN 0.349 nan 8.270 nan 0.000 0.480 259 P HA 0.205 nan 4.420 nan 0.000 0.268 259 P C -0.866 176.505 177.300 0.119 0.000 1.205 259 P CA 0.250 63.321 63.100 -0.049 0.000 0.771 259 P CB 0.507 32.152 31.700 -0.091 0.000 0.858 260 M N 0.452 120.127 119.600 0.126 0.000 2.520 260 M HA 0.547 5.029 4.480 0.004 0.000 0.280 260 M C -1.594 174.783 176.300 0.128 0.000 1.232 260 M CA -0.682 54.692 55.300 0.124 0.000 0.892 260 M CB 2.983 35.613 32.600 0.051 0.000 1.728 260 M HN 0.263 nan 8.290 nan 0.000 0.475 261 H N 1.081 120.136 119.070 -0.024 0.000 2.771 261 H HA 0.745 5.303 4.556 0.004 0.000 0.361 261 H C -1.935 173.253 175.328 -0.235 0.000 1.108 261 H CA -0.387 55.555 56.048 -0.176 0.000 1.201 261 H CB 2.278 31.856 29.762 -0.307 0.000 1.681 261 H HN 1.051 nan 8.280 nan 0.000 0.534 262 A N 5.184 127.569 122.820 -0.725 0.000 2.276 262 A HA 0.441 4.763 4.320 0.004 0.000 0.300 262 A C -1.208 176.063 177.584 -0.522 0.000 1.235 262 A CA -0.389 51.394 52.037 -0.424 0.000 0.867 262 A CB -0.355 18.480 19.000 -0.274 0.000 1.137 262 A HN 0.434 nan 8.150 nan 0.000 0.527 263 F N 1.854 121.783 119.950 -0.034 0.000 2.404 263 F HA 0.220 4.750 4.527 0.004 0.000 0.354 263 F C 0.684 176.518 175.800 0.056 0.000 1.122 263 F CA -0.498 57.540 58.000 0.065 0.000 1.080 263 F CB 1.364 40.431 39.000 0.112 0.000 1.131 263 F HN 0.592 nan 8.300 nan 0.000 0.471 264 D N 4.120 124.697 120.400 0.294 0.000 2.434 264 D HA -0.004 4.639 4.640 0.004 0.000 0.252 264 D C 1.248 177.702 176.300 0.257 0.000 1.185 264 D CA 0.451 54.608 54.000 0.262 0.000 0.886 264 D CB 0.863 41.876 40.800 0.355 0.000 1.148 264 D HN 0.596 nan 8.370 nan 0.000 0.483 265 L N 4.124 125.428 121.223 0.134 0.000 2.127 265 L HA -0.208 4.134 4.340 0.004 0.000 0.211 265 L C 2.439 179.314 176.870 0.008 0.000 1.089 265 L CA 0.981 55.852 54.840 0.050 0.000 0.757 265 L CB -0.165 41.928 42.059 0.058 0.000 0.899 265 L HN 0.420 nan 8.230 nan 0.000 0.434 266 R N -0.665 119.799 120.500 -0.061 0.000 2.185 266 R HA -0.207 4.135 4.340 0.004 0.000 0.247 266 R C 1.474 177.515 176.300 -0.432 0.000 1.159 266 R CA 1.551 57.465 56.100 -0.309 0.000 0.988 266 R CB -0.316 29.639 30.300 -0.574 0.000 0.871 266 R HN 0.293 nan 8.270 nan 0.000 0.458 267 F N -1.874 118.093 119.950 0.029 0.000 2.678 267 F HA 0.142 4.672 4.527 0.004 0.000 0.305 267 F C 1.641 177.506 175.800 0.109 0.000 1.090 267 F CA -0.221 57.801 58.000 0.038 0.000 1.272 267 F CB 0.533 39.571 39.000 0.064 0.000 1.060 267 F HN -0.251 nan 8.300 nan 0.000 0.576 268 V N -0.358 119.656 119.914 0.166 0.000 2.649 268 V HA 0.194 4.316 4.120 0.004 0.000 0.248 268 V C 1.838 177.920 176.094 -0.019 0.000 1.054 268 V CA 1.247 63.568 62.300 0.035 0.000 1.073 268 V CB -0.755 30.978 31.823 -0.150 0.000 0.699 268 V HN 0.546 nan 8.190 nan 0.000 0.463 269 G N 0.569 109.358 108.800 -0.018 0.000 2.514 269 G HA2 -0.313 3.650 3.960 0.004 0.000 0.265 269 G HA3 -0.313 3.650 3.960 0.004 0.000 0.265 269 G C 0.605 175.350 174.900 -0.259 0.000 1.150 269 G CA 0.403 45.456 45.100 -0.077 0.000 0.959 269 G HN 0.368 nan 8.290 nan 0.000 0.556 270 E N 1.053 120.935 120.200 -0.530 0.000 2.230 270 E HA 0.369 4.721 4.350 0.004 0.000 0.192 270 E C 1.207 177.291 176.600 -0.860 0.000 0.987 270 E CA 0.709 56.737 56.400 -0.620 0.000 0.841 270 E CB 0.279 29.619 29.700 -0.601 0.000 0.783 270 E HN 1.128 nan 8.360 nan 0.000 0.481 271 G N 0.200 108.179 108.800 -1.368 0.000 2.430 271 G HA2 0.369 4.332 3.960 0.004 0.000 0.300 271 G HA3 0.369 4.332 3.960 0.004 0.000 0.300 271 G C -1.658 172.831 174.900 -0.685 0.000 1.330 271 G CA -0.859 43.628 45.100 -1.023 0.000 0.813 271 G HN -0.086 nan 8.290 nan 0.000 0.487 272 I N 0.973 121.443 120.570 -0.167 0.000 2.412 272 I HA 0.671 4.844 4.170 0.004 0.000 0.296 272 I C 0.356 176.573 176.117 0.167 0.000 0.987 272 I CA -0.871 60.400 61.300 -0.049 0.000 1.180 272 I CB 1.211 39.200 38.000 -0.019 0.000 1.340 272 I HN 0.761 nan 8.210 nan 0.000 0.455 273 A N 6.634 129.498 122.820 0.074 0.000 2.332 273 A HA 0.604 4.927 4.320 0.004 0.000 0.300 273 A C -0.714 176.779 177.584 -0.153 0.000 1.153 273 A CA -0.497 51.545 52.037 0.009 0.000 0.764 273 A CB 1.054 20.069 19.000 0.026 0.000 1.174 273 A HN 0.385 nan 8.150 nan 0.000 0.467 274 V N 4.918 124.675 119.914 -0.262 0.000 2.356 274 V HA 0.423 4.546 4.120 0.004 0.000 0.258 274 V C 0.554 176.552 176.094 -0.159 0.000 1.065 274 V CA 0.130 62.266 62.300 -0.273 0.000 0.935 274 V CB -0.603 30.936 31.823 -0.473 0.000 1.061 274 V HN 1.013 nan 8.190 nan 0.000 0.484 275 R N 3.340 123.767 120.500 -0.121 0.000 2.817 275 R HA 0.807 5.149 4.340 0.004 0.000 0.268 275 R C -0.685 175.573 176.300 -0.071 0.000 1.027 275 R CA -1.308 54.737 56.100 -0.092 0.000 0.928 275 R CB 1.417 31.657 30.300 -0.099 0.000 1.228 275 R HN 0.296 nan 8.270 nan 0.000 0.469 276 R N 0.344 120.814 120.500 -0.051 0.000 2.679 276 R HA 0.416 4.759 4.340 0.004 0.000 0.269 276 R C -0.478 175.806 176.300 -0.028 0.000 1.076 276 R CA 0.556 56.638 56.100 -0.029 0.000 1.160 276 R CB 0.870 31.161 30.300 -0.015 0.000 1.054 276 R HN 0.767 nan 8.270 nan 0.000 0.507 277 A N 2.546 125.362 122.820 -0.006 0.000 2.316 277 A HA 0.429 4.752 4.320 0.004 0.000 0.284 277 A C -0.428 177.153 177.584 -0.005 0.000 1.115 277 A CA -0.442 51.594 52.037 -0.002 0.000 0.812 277 A CB 0.502 19.515 19.000 0.022 0.000 1.064 277 A HN 0.642 nan 8.150 nan 0.000 0.489 278 R N 1.749 122.243 120.500 -0.010 0.000 2.297 278 R HA 0.207 4.549 4.340 0.004 0.000 0.308 278 R C -0.519 175.769 176.300 -0.020 0.000 1.029 278 R CA -0.669 55.420 56.100 -0.018 0.000 0.929 278 R CB 0.719 31.010 30.300 -0.016 0.000 1.046 278 R HN 0.728 nan 8.270 nan 0.000 0.461 279 E N 1.226 121.401 120.200 -0.042 0.000 3.417 279 E HA -0.218 4.135 4.350 0.004 0.000 0.279 279 E C 1.113 177.697 176.600 -0.027 0.000 0.851 279 E CA 1.636 58.002 56.400 -0.056 0.000 0.980 279 E CB 0.107 29.769 29.700 -0.062 0.000 0.934 279 E HN 0.966 nan 8.360 nan 0.000 0.541 280 G N 3.546 112.333 108.800 -0.021 0.000 2.205 280 G HA2 -0.413 3.550 3.960 0.004 0.000 0.269 280 G HA3 -0.413 3.550 3.960 0.004 0.000 0.269 280 G C 0.364 175.275 174.900 0.019 0.000 0.977 280 G CA 0.903 46.004 45.100 0.002 0.000 0.652 280 G HN 0.611 nan 8.290 nan 0.000 0.539 281 E N 0.948 121.160 120.200 0.021 0.000 2.585 281 E HA 0.220 4.573 4.350 0.004 0.000 0.252 281 E C 1.119 177.744 176.600 0.042 0.000 0.981 281 E CA -0.195 56.224 56.400 0.032 0.000 0.943 281 E CB 0.284 30.001 29.700 0.028 0.000 0.923 281 E HN 0.527 nan 8.360 nan 0.000 0.486 282 R N 3.596 124.121 120.500 0.042 0.000 2.577 282 R HA 0.558 4.900 4.340 0.004 0.000 0.269 282 R C -0.354 175.971 176.300 0.041 0.000 1.084 282 R CA -0.575 55.550 56.100 0.042 0.000 1.163 282 R CB 0.722 31.043 30.300 0.034 0.000 1.100 282 R HN 0.532 nan 8.270 nan 0.000 0.547 283 L N 1.166 122.408 121.223 0.032 0.000 2.751 283 L HA 0.208 4.551 4.340 0.004 0.000 0.261 283 L C -1.429 175.446 176.870 0.008 0.000 0.927 283 L CA -0.495 54.356 54.840 0.019 0.000 0.968 283 L CB 1.937 44.000 42.059 0.006 0.000 1.432 283 L HN 0.609 nan 8.230 nan 0.000 0.439 284 K N 3.393 123.792 120.400 -0.002 0.000 2.264 284 K HA 0.414 4.737 4.320 0.004 0.000 0.277 284 K C -0.001 176.588 176.600 -0.020 0.000 1.067 284 K CA -0.322 55.960 56.287 -0.008 0.000 0.900 284 K CB 0.985 33.476 32.500 -0.014 0.000 1.124 284 K HN 0.657 nan 8.250 nan 0.000 0.469 285 T N 0.911 115.453 114.554 -0.021 0.000 2.828 285 T HA 0.091 4.444 4.350 0.004 0.000 0.290 285 T C 1.549 176.232 174.700 -0.028 0.000 1.019 285 T CA -0.782 61.298 62.100 -0.033 0.000 1.031 285 T CB 0.828 69.670 68.868 -0.043 0.000 1.001 285 T HN 0.652 nan 8.240 nan 0.000 0.531 286 L N 0.903 122.106 121.223 -0.034 0.000 2.151 286 L HA -0.202 4.140 4.340 0.004 0.000 0.215 286 L C 2.084 178.945 176.870 -0.017 0.000 1.084 286 L CA 2.123 56.948 54.840 -0.024 0.000 0.764 286 L CB -0.560 41.487 42.059 -0.021 0.000 0.891 286 L HN 0.897 nan 8.230 nan 0.000 0.435 287 D N -1.493 118.900 120.400 -0.012 0.000 2.363 287 D HA 0.003 4.645 4.640 0.004 0.000 0.220 287 D C 1.477 177.778 176.300 0.002 0.000 0.994 287 D CA 0.850 54.849 54.000 -0.002 0.000 0.890 287 D CB -0.079 40.724 40.800 0.004 0.000 0.906 287 D HN 0.339 nan 8.370 nan 0.000 0.530 288 G N -0.806 107.993 108.800 -0.003 0.000 2.175 288 G HA2 -0.260 3.703 3.960 0.004 0.000 0.244 288 G HA3 -0.260 3.703 3.960 0.004 0.000 0.244 288 G C 0.169 175.072 174.900 0.006 0.000 0.982 288 G CA 0.127 45.228 45.100 0.001 0.000 0.641 288 G HN 0.395 nan 8.290 nan 0.000 0.527 289 V N 1.081 121.000 119.914 0.008 0.000 2.508 289 V HA 0.476 4.599 4.120 0.004 0.000 0.281 289 V C 0.647 176.751 176.094 0.017 0.000 1.041 289 V CA -0.183 62.127 62.300 0.016 0.000 1.016 289 V CB 1.602 33.440 31.823 0.024 0.000 0.984 289 V HN 0.374 nan 8.190 nan 0.000 0.478 290 E N 5.177 125.390 120.200 0.020 0.000 2.105 290 E HA 0.346 4.699 4.350 0.004 0.000 0.285 290 E C -0.126 176.497 176.600 0.038 0.000 1.055 290 E CA 0.012 56.426 56.400 0.022 0.000 0.843 290 E CB 0.380 30.091 29.700 0.018 0.000 1.067 290 E HN 0.564 nan 8.360 nan 0.000 0.398 291 R N 2.172 122.700 120.500 0.047 0.000 2.828 291 R HA 0.633 4.975 4.340 0.004 0.000 0.264 291 R C -0.615 175.737 176.300 0.087 0.000 1.022 291 R CA -0.890 55.262 56.100 0.087 0.000 1.021 291 R CB 1.935 32.307 30.300 0.121 0.000 1.163 291 R HN 0.353 nan 8.270 nan 0.000 0.494 292 T N 1.858 116.484 114.554 0.119 0.000 2.812 292 T HA 0.407 4.759 4.350 0.004 0.000 0.282 292 T C -0.116 174.689 174.700 0.176 0.000 0.990 292 T CA -0.697 61.462 62.100 0.100 0.000 0.960 292 T CB 0.864 69.768 68.868 0.059 0.000 0.948 292 T HN 0.183 nan 8.240 nan 0.000 0.438 293 L N 2.615 123.929 121.223 0.151 0.000 2.439 293 L HA 0.473 4.815 4.340 0.004 0.000 0.259 293 L C 0.492 177.467 176.870 0.176 0.000 1.129 293 L CA -1.020 53.945 54.840 0.208 0.000 0.803 293 L CB 0.605 42.731 42.059 0.112 0.000 1.161 293 L HN 0.588 nan 8.230 nan 0.000 0.462 294 H N 3.151 122.285 119.070 0.107 0.000 2.492 294 H HA 0.260 4.818 4.556 0.004 0.000 0.345 294 H C -2.119 173.229 175.328 0.033 0.000 1.136 294 H CA -2.212 53.864 56.048 0.048 0.000 1.202 294 H CB 2.444 32.227 29.762 0.035 0.000 1.524 294 H HN 0.278 nan 8.280 nan 0.000 0.506 295 P HA -0.133 nan 4.420 nan 0.000 0.222 295 P C 0.521 177.936 177.300 0.192 0.000 1.142 295 P CA 1.158 64.277 63.100 0.033 0.000 0.788 295 P CB 0.393 32.029 31.700 -0.106 0.000 0.767 296 E N -0.598 119.897 120.200 0.492 0.000 2.385 296 E HA -0.009 4.343 4.350 0.004 0.000 0.194 296 E C 0.098 176.752 176.600 0.090 0.000 1.013 296 E CA -0.074 56.449 56.400 0.205 0.000 0.866 296 E CB -0.044 29.697 29.700 0.067 0.000 0.832 296 E HN 0.315 nan 8.360 nan 0.000 0.500 297 D N 1.305 121.779 120.400 0.123 0.000 2.383 297 D HA 0.051 4.693 4.640 0.004 0.000 0.252 297 D C -0.168 176.121 176.300 -0.019 0.000 1.166 297 D CA 0.248 54.272 54.000 0.040 0.000 0.879 297 D CB 0.989 41.834 40.800 0.075 0.000 1.164 297 D HN 0.050 nan 8.370 nan 0.000 0.462 298 L N 3.003 124.177 121.223 -0.083 0.000 2.305 298 L HA 0.298 4.641 4.340 0.004 0.000 0.281 298 L C -0.009 176.766 176.870 -0.158 0.000 1.085 298 L CA -0.425 54.342 54.840 -0.121 0.000 0.813 298 L CB 1.215 43.169 42.059 -0.177 0.000 1.157 298 L HN 0.196 nan 8.230 nan 0.000 0.436 299 V N 3.051 122.892 119.914 -0.123 0.000 3.074 299 V HA 0.562 4.684 4.120 0.004 0.000 0.314 299 V C -0.445 175.589 176.094 -0.099 0.000 1.117 299 V CA -0.966 61.267 62.300 -0.111 0.000 1.014 299 V CB 2.565 34.345 31.823 -0.073 0.000 1.057 299 V HN 0.456 nan 8.190 nan 0.000 0.438 300 I N 2.684 123.213 120.570 -0.068 0.000 2.328 300 I HA 0.754 4.927 4.170 0.004 0.000 0.287 300 I C 0.455 176.473 176.117 -0.165 0.000 1.012 300 I CA -0.119 61.131 61.300 -0.084 0.000 1.195 300 I CB 0.652 38.662 38.000 0.018 0.000 1.350 300 I HN 1.040 nan 8.210 nan 0.000 0.464 301 A N 4.853 127.568 122.820 -0.175 0.000 2.350 301 A HA 0.958 5.280 4.320 0.004 0.000 0.318 301 A C 0.096 177.521 177.584 -0.265 0.000 1.132 301 A CA -0.472 51.443 52.037 -0.204 0.000 0.811 301 A CB 1.685 20.579 19.000 -0.175 0.000 1.313 301 A HN 0.732 nan 8.150 nan 0.000 0.454 302 G N -1.471 107.031 108.800 -0.496 0.000 2.644 302 G HA2 0.686 4.649 3.960 0.004 0.000 0.307 302 G HA3 0.686 4.649 3.960 0.004 0.000 0.307 302 G C -1.128 173.234 174.900 -0.898 0.000 1.250 302 G CA -0.385 44.373 45.100 -0.569 0.000 0.996 302 G HN 1.683 nan 8.290 nan 0.000 0.489 303 W N -0.475 120.462 121.300 -0.606 0.000 3.296 303 W HA 0.781 5.443 4.660 0.004 0.000 0.314 303 W C -1.250 175.277 176.519 0.012 0.000 1.238 303 W CA -1.498 55.610 57.345 -0.393 0.000 1.193 303 W CB 1.454 30.763 29.460 -0.251 0.000 1.383 303 W HN 0.601 nan 8.180 nan 0.000 0.545 304 R N 3.605 124.324 120.500 0.366 0.000 2.507 304 R HA 0.502 4.844 4.340 0.004 0.000 0.298 304 R C 0.815 177.283 176.300 0.280 0.000 1.087 304 R CA 0.307 56.565 56.100 0.265 0.000 0.917 304 R CB 1.059 31.521 30.300 0.271 0.000 1.173 304 R HN 1.434 nan 8.270 nan 0.000 0.472 305 G N 2.991 111.952 108.800 0.269 0.000 2.602 305 G HA2 -0.339 3.623 3.960 0.004 0.000 0.310 305 G HA3 -0.339 3.623 3.960 0.004 0.000 0.310 305 G C 0.348 175.362 174.900 0.190 0.000 1.183 305 G CA 0.366 45.583 45.100 0.195 0.000 0.979 305 G HN 0.604 nan 8.290 nan 0.000 0.545 306 E N 2.034 122.313 120.200 0.130 0.000 2.463 306 E HA 0.156 4.509 4.350 0.004 0.000 0.193 306 E C 0.317 176.984 176.600 0.111 0.000 1.041 306 E CA 0.118 56.570 56.400 0.086 0.000 0.879 306 E CB 0.375 30.107 29.700 0.052 0.000 0.997 306 E HN 0.529 nan 8.360 nan 0.000 0.478 307 E N 0.840 121.154 120.200 0.189 0.000 2.227 307 E HA 0.236 4.588 4.350 0.004 0.000 0.282 307 E C -0.554 176.202 176.600 0.260 0.000 1.015 307 E CA -0.205 56.348 56.400 0.255 0.000 0.823 307 E CB 1.870 31.773 29.700 0.339 0.000 1.081 307 E HN -0.178 nan 8.360 nan 0.000 0.396 308 S N 3.406 119.215 115.700 0.182 0.000 2.594 308 S HA 0.700 5.173 4.470 0.004 0.000 0.296 308 S C -1.347 173.281 174.600 0.047 0.000 1.124 308 S CA -0.742 57.438 58.200 -0.034 0.000 1.011 308 S CB 0.040 63.212 63.200 -0.045 0.000 1.016 308 S HN 0.378 nan 8.310 nan 0.000 0.485 309 F N 2.045 122.036 119.950 0.069 0.000 2.601 309 F HA 0.761 5.290 4.527 0.004 0.000 0.309 309 F C -3.191 172.619 175.800 0.016 0.000 1.089 309 F CA -2.688 55.335 58.000 0.038 0.000 0.940 309 F CB 0.447 39.474 39.000 0.044 0.000 1.273 309 F HN 0.236 nan 8.300 nan 0.000 0.450 310 P HA 0.342 nan 4.420 nan 0.000 0.276 310 P C 0.021 177.397 177.300 0.128 0.000 1.230 310 P CA -0.183 62.963 63.100 0.075 0.000 0.776 310 P CB 1.309 33.042 31.700 0.054 0.000 0.888 311 L N 1.355 122.610 121.223 0.055 0.000 2.609 311 L HA 0.451 4.794 4.340 0.004 0.000 0.230 311 L C 1.039 178.030 176.870 0.201 0.000 1.064 311 L CA 0.336 55.236 54.840 0.100 0.000 0.873 311 L CB 0.226 42.207 42.059 -0.130 0.000 1.139 311 L HN 0.554 nan 8.230 nan 0.000 0.490 312 G N -0.326 108.547 108.800 0.121 0.000 2.579 312 G HA2 0.316 4.278 3.960 0.004 0.000 0.292 312 G HA3 0.316 4.278 3.960 0.004 0.000 0.292 312 G C -1.762 173.130 174.900 -0.013 0.000 1.484 312 G CA -0.614 44.539 45.100 0.089 0.000 0.813 312 G HN -0.168 nan 8.290 nan 0.000 0.515 313 L N 2.009 123.179 121.223 -0.087 0.000 2.342 313 L HA 0.487 4.829 4.340 0.004 0.000 0.285 313 L C 1.303 178.056 176.870 -0.195 0.000 1.095 313 L CA -0.541 54.206 54.840 -0.154 0.000 0.843 313 L CB 0.610 42.549 42.059 -0.200 0.000 1.201 313 L HN 0.813 nan 8.230 nan 0.000 0.445 314 A N 3.483 126.138 122.820 -0.276 0.000 2.580 314 A HA 0.306 4.628 4.320 0.004 0.000 0.244 314 A C 1.382 178.486 177.584 -0.799 0.000 1.045 314 A CA 0.728 52.422 52.037 -0.572 0.000 0.761 314 A CB -0.214 18.316 19.000 -0.783 0.000 0.962 314 A HN 1.190 nan 8.150 nan 0.000 0.512 315 G N 0.980 109.380 108.800 -0.667 0.000 2.166 315 G HA2 -0.231 3.731 3.960 0.004 0.000 0.260 315 G HA3 -0.231 3.731 3.960 0.004 0.000 0.260 315 G C 0.607 175.556 174.900 0.081 0.000 0.986 315 G CA 0.859 45.797 45.100 -0.269 0.000 0.683 315 G HN 1.418 nan 8.290 nan 0.000 0.527 316 V N -1.329 118.571 119.914 -0.023 0.000 3.161 316 V HA 0.661 4.784 4.120 0.004 0.000 0.221 316 V C 0.551 176.643 176.094 -0.003 0.000 1.296 316 V CA 1.557 63.864 62.300 0.011 0.000 1.306 316 V CB 0.733 32.521 31.823 -0.058 0.000 1.171 316 V HN 0.484 nan 8.190 nan 0.000 0.513 317 M N -0.272 119.286 119.600 -0.069 0.000 2.365 317 M HA 0.621 5.104 4.480 0.004 0.000 0.288 317 M C -0.449 175.748 176.300 -0.173 0.000 1.152 317 M CA -0.271 54.974 55.300 -0.092 0.000 0.948 317 M CB 2.005 34.566 32.600 -0.066 0.000 1.729 317 M HN 0.339 nan 8.290 nan 0.000 0.487 318 G N 1.441 110.056 108.800 -0.308 0.000 2.599 318 G HA2 0.557 4.520 3.960 0.004 0.000 0.264 318 G HA3 0.557 4.520 3.960 0.004 0.000 0.264 318 G C -0.013 174.786 174.900 -0.167 0.000 1.200 318 G CA -0.249 44.562 45.100 -0.482 0.000 0.896 318 G HN 0.871 nan 8.290 nan 0.000 0.536 319 G N -1.424 107.347 108.800 -0.047 0.000 2.476 319 G HA2 0.509 4.471 3.960 0.004 0.000 0.269 319 G HA3 0.509 4.471 3.960 0.004 0.000 0.269 319 G C 1.065 175.953 174.900 -0.020 0.000 1.195 319 G CA 0.499 45.596 45.100 -0.005 0.000 0.843 319 G HN 0.947 nan 8.290 nan 0.000 0.545 320 A N 0.543 123.336 122.820 -0.045 0.000 1.898 320 A HA -0.030 4.293 4.320 0.004 0.000 0.216 320 A C 2.003 179.515 177.584 -0.120 0.000 1.181 320 A CA 1.917 53.919 52.037 -0.059 0.000 0.620 320 A CB -0.485 18.485 19.000 -0.050 0.000 0.819 320 A HN 0.764 nan 8.150 nan 0.000 0.442 321 E N 0.428 120.507 120.200 -0.201 0.000 2.118 321 E HA -0.162 4.191 4.350 0.004 0.000 0.195 321 E C 1.578 177.710 176.600 -0.781 0.000 0.992 321 E CA 1.516 57.640 56.400 -0.460 0.000 0.804 321 E CB -0.049 29.351 29.700 -0.499 0.000 0.741 321 E HN 0.701 nan 8.360 nan 0.000 0.458 322 S N -0.348 115.105 115.700 -0.411 0.000 2.572 322 S HA 0.169 4.641 4.470 0.004 0.000 0.228 322 S C 0.349 174.982 174.600 0.055 0.000 0.963 322 S CA -0.502 57.597 58.200 -0.169 0.000 0.939 322 S CB 0.270 63.605 63.200 0.225 0.000 0.804 322 S HN 0.163 nan 8.310 nan 0.000 0.480 323 E N 0.907 121.102 120.200 -0.007 0.000 2.504 323 E HA 0.117 4.469 4.350 0.004 0.000 0.266 323 E C -0.900 175.697 176.600 -0.005 0.000 1.239 323 E CA 0.271 56.666 56.400 -0.007 0.000 1.064 323 E CB 0.434 30.123 29.700 -0.019 0.000 0.996 323 E HN 0.096 nan 8.360 nan 0.000 0.479 324 V N 2.027 121.913 119.914 -0.046 0.000 2.378 324 V HA 0.324 4.446 4.120 0.004 0.000 0.288 324 V C -0.132 175.949 176.094 -0.021 0.000 1.016 324 V CA -0.200 62.080 62.300 -0.033 0.000 0.840 324 V CB 1.248 33.022 31.823 -0.082 0.000 0.994 324 V HN 0.555 nan 8.190 nan 0.000 0.431 325 R N 2.605 123.114 120.500 0.014 0.000 3.029 325 R HA 0.488 4.830 4.340 0.004 0.000 0.239 325 R C 0.618 176.922 176.300 0.006 0.000 1.351 325 R CA -0.898 55.206 56.100 0.007 0.000 1.052 325 R CB 0.991 31.307 30.300 0.027 0.000 1.354 325 R HN 0.511 nan 8.270 nan 0.000 0.499 326 E N 0.914 121.115 120.200 0.001 0.000 2.097 326 E HA -0.190 4.162 4.350 0.004 0.000 0.196 326 E C 0.687 177.290 176.600 0.005 0.000 1.000 326 E CA 1.553 57.952 56.400 -0.002 0.000 0.804 326 E CB -0.075 29.623 29.700 -0.004 0.000 0.740 326 E HN 0.423 nan 8.360 nan 0.000 0.454 327 D N -0.022 120.388 120.400 0.017 0.000 2.340 327 D HA 0.004 4.646 4.640 0.004 0.000 0.220 327 D C -0.075 176.240 176.300 0.025 0.000 1.039 327 D CA 0.333 54.344 54.000 0.018 0.000 0.866 327 D CB -0.120 40.692 40.800 0.020 0.000 0.913 327 D HN 0.069 nan 8.370 nan 0.000 0.523 328 T N 0.598 115.172 114.554 0.033 0.000 2.940 328 T HA 0.035 4.387 4.350 0.004 0.000 0.309 328 T C 1.209 175.929 174.700 0.034 0.000 1.056 328 T CA 0.430 62.557 62.100 0.044 0.000 1.137 328 T CB 1.724 70.621 68.868 0.048 0.000 0.976 328 T HN 0.061 nan 8.240 nan 0.000 0.547 329 E N 0.359 120.589 120.200 0.050 0.000 2.441 329 E HA 0.419 4.772 4.350 0.004 0.000 0.212 329 E C 0.260 176.914 176.600 0.091 0.000 0.840 329 E CA -0.122 56.312 56.400 0.057 0.000 1.143 329 E CB 0.763 30.501 29.700 0.064 0.000 1.153 329 E HN 0.738 nan 8.360 nan 0.000 0.539 330 A N 1.055 123.949 122.820 0.123 0.000 2.539 330 A HA 0.756 5.079 4.320 0.004 0.000 0.296 330 A C -1.200 176.488 177.584 0.174 0.000 1.073 330 A CA -0.792 51.359 52.037 0.189 0.000 0.700 330 A CB 1.037 20.229 19.000 0.320 0.000 1.296 330 A HN 0.234 nan 8.150 nan 0.000 0.405 331 I N -2.253 118.438 120.570 0.202 0.000 3.006 331 I HA 0.867 5.040 4.170 0.004 0.000 0.306 331 I C -0.376 175.856 176.117 0.192 0.000 1.250 331 I CA -1.171 60.223 61.300 0.158 0.000 0.996 331 I CB 2.242 40.295 38.000 0.089 0.000 1.261 331 I HN 0.864 nan 8.210 nan 0.000 0.442 332 A N 5.206 128.064 122.820 0.064 0.000 2.258 332 A HA 0.627 4.950 4.320 0.004 0.000 0.316 332 A C -0.734 176.943 177.584 0.156 0.000 1.279 332 A CA -0.514 51.508 52.037 -0.025 0.000 0.876 332 A CB 0.754 19.472 19.000 -0.469 0.000 1.170 332 A HN 0.762 nan 8.150 nan 0.000 0.520 333 L N 2.907 124.234 121.223 0.174 0.000 2.260 333 L HA 0.282 4.624 4.340 0.004 0.000 0.289 333 L C 0.418 177.360 176.870 0.121 0.000 1.057 333 L CA -0.183 54.733 54.840 0.126 0.000 0.811 333 L CB 0.897 43.009 42.059 0.089 0.000 1.184 333 L HN 0.854 nan 8.230 nan 0.000 0.429 334 E N 4.966 125.254 120.200 0.147 0.000 2.130 334 E HA 0.320 4.673 4.350 0.004 0.000 0.284 334 E C -1.693 174.860 176.600 -0.079 0.000 1.018 334 E CA -0.509 55.912 56.400 0.036 0.000 0.817 334 E CB 1.360 31.240 29.700 0.301 0.000 1.078 334 E HN 0.364 nan 8.360 nan 0.000 0.396 335 V N 3.891 123.648 119.914 -0.262 0.000 2.447 335 V HA 0.689 4.811 4.120 0.004 0.000 0.292 335 V C -0.271 175.581 176.094 -0.404 0.000 1.021 335 V CA -0.330 61.848 62.300 -0.203 0.000 0.850 335 V CB 0.902 32.651 31.823 -0.125 0.000 1.005 335 V HN 0.832 nan 8.190 nan 0.000 0.426 336 A N 3.125 125.728 122.820 -0.361 0.000 2.533 336 A HA 0.884 5.206 4.320 0.004 0.000 0.293 336 A C -1.145 176.239 177.584 -0.334 0.000 1.228 336 A CA -0.511 51.203 52.037 -0.539 0.000 0.689 336 A CB 1.929 20.349 19.000 -0.966 0.000 1.303 336 A HN 0.994 nan 8.150 nan 0.000 0.444 337 C N 0.567 119.614 119.300 -0.422 0.000 2.383 337 C HA 0.818 5.281 4.460 0.004 0.000 0.330 337 C C -1.412 173.348 174.990 -0.382 0.000 1.168 337 C CA -0.956 57.968 59.018 -0.156 0.000 1.374 337 C CB -1.567 26.212 27.740 0.064 0.000 2.014 337 C HN 0.492 nan 8.230 nan 0.000 0.439 338 F N 2.610 122.484 119.950 -0.126 0.000 2.450 338 F HA 0.412 4.942 4.527 0.004 0.000 0.328 338 F C 0.590 176.378 175.800 -0.020 0.000 1.068 338 F CA -0.474 57.427 58.000 -0.166 0.000 1.007 338 F CB 0.598 39.327 39.000 -0.452 0.000 1.251 338 F HN 0.584 nan 8.300 nan 0.000 0.492 339 D N 1.868 122.395 120.400 0.211 0.000 2.371 339 D HA 0.175 4.818 4.640 0.004 0.000 0.256 339 D C -1.962 174.418 176.300 0.133 0.000 1.193 339 D CA -1.470 52.612 54.000 0.137 0.000 0.881 339 D CB 1.175 42.035 40.800 0.099 0.000 1.143 339 D HN 0.062 nan 8.370 nan 0.000 0.473 340 P HA -0.213 nan 4.420 nan 0.000 0.214 340 P C 1.472 178.824 177.300 0.087 0.000 1.163 340 P CA 0.787 63.963 63.100 0.127 0.000 0.889 340 P CB 0.149 31.912 31.700 0.104 0.000 0.790 341 V N -0.281 119.671 119.914 0.064 0.000 2.282 341 V HA -0.281 3.841 4.120 0.004 0.000 0.249 341 V C 2.628 178.742 176.094 0.033 0.000 1.057 341 V CA 2.498 64.823 62.300 0.043 0.000 1.032 341 V CB -1.649 30.195 31.823 0.035 0.000 0.645 341 V HN 0.243 nan 8.190 nan 0.000 0.447 342 S N -0.171 115.550 115.700 0.034 0.000 2.353 342 S HA -0.164 4.308 4.470 0.004 0.000 0.222 342 S C 1.968 176.567 174.600 -0.001 0.000 1.035 342 S CA 1.664 59.871 58.200 0.011 0.000 1.025 342 S CB -0.283 62.924 63.200 0.011 0.000 0.902 342 S HN 0.407 nan 8.310 nan 0.000 0.440 343 I N 2.023 122.602 120.570 0.016 0.000 2.226 343 I HA -0.115 4.058 4.170 0.004 0.000 0.245 343 I C 2.611 178.752 176.117 0.039 0.000 1.100 343 I CA 1.367 62.677 61.300 0.015 0.000 1.374 343 I CB -1.561 36.490 38.000 0.085 0.000 1.057 343 I HN 0.422 nan 8.210 nan 0.000 0.413 344 R N 1.514 122.045 120.500 0.051 0.000 2.080 344 R HA -0.202 4.140 4.340 0.004 0.000 0.236 344 R C 2.324 178.641 176.300 0.028 0.000 1.137 344 R CA 1.765 57.894 56.100 0.048 0.000 0.943 344 R CB -0.050 30.276 30.300 0.043 0.000 0.846 344 R HN 0.309 nan 8.270 nan 0.000 0.431 345 K N -0.696 119.709 120.400 0.009 0.000 2.057 345 K HA -0.098 4.225 4.320 0.004 0.000 0.207 345 K C 2.144 178.739 176.600 -0.008 0.000 1.049 345 K CA 2.007 58.285 56.287 -0.016 0.000 0.931 345 K CB -0.210 32.264 32.500 -0.043 0.000 0.714 345 K HN 0.255 nan 8.250 nan 0.000 0.440 346 T N 1.276 115.833 114.554 0.006 0.000 2.708 346 T HA -0.169 4.183 4.350 0.004 0.000 0.266 346 T C 2.019 176.788 174.700 0.115 0.000 1.037 346 T CA 1.486 63.620 62.100 0.058 0.000 1.146 346 T CB -0.304 68.560 68.868 -0.006 0.000 0.865 346 T HN 0.353 nan 8.240 nan 0.000 0.435 347 A N 1.686 124.542 122.820 0.061 0.000 1.883 347 A HA -0.178 4.145 4.320 0.004 0.000 0.217 347 A C 2.366 179.998 177.584 0.080 0.000 1.186 347 A CA 1.834 53.914 52.037 0.070 0.000 0.624 347 A CB -0.515 18.524 19.000 0.066 0.000 0.822 347 A HN 0.262 nan 8.150 nan 0.000 0.444 348 R N -0.745 119.786 120.500 0.052 0.000 2.070 348 R HA -0.088 4.254 4.340 0.004 0.000 0.233 348 R C 2.383 178.693 176.300 0.016 0.000 1.137 348 R CA 1.766 57.884 56.100 0.029 0.000 0.945 348 R CB -0.684 29.622 30.300 0.009 0.000 0.845 348 R HN 0.652 nan 8.270 nan 0.000 0.430 349 R N -0.278 120.221 120.500 -0.001 0.000 2.134 349 R HA -0.216 4.127 4.340 0.004 0.000 0.248 349 R C 0.816 177.015 176.300 -0.167 0.000 1.143 349 R CA 2.218 58.262 56.100 -0.094 0.000 0.957 349 R CB -0.284 29.946 30.300 -0.117 0.000 0.867 349 R HN 0.416 nan 8.270 nan 0.000 0.441 350 H N -1.754 117.307 119.070 -0.015 0.000 2.520 350 H HA 0.286 4.845 4.556 0.004 0.000 0.284 350 H C 0.457 175.786 175.328 0.001 0.000 1.037 350 H CA 0.460 56.506 56.048 -0.003 0.000 1.168 350 H CB 1.024 30.785 29.762 -0.003 0.000 1.497 350 H HN 0.520 nan 8.280 nan 0.000 0.547 351 G N 1.334 110.185 108.800 0.085 0.000 2.366 351 G HA2 -0.285 3.678 3.960 0.004 0.000 0.299 351 G HA3 -0.285 3.678 3.960 0.004 0.000 0.299 351 G C -0.317 174.621 174.900 0.065 0.000 1.020 351 G CA 0.144 45.278 45.100 0.057 0.000 1.026 351 G HN 0.357 nan 8.290 nan 0.000 0.512 352 L N -0.626 120.641 121.223 0.073 0.000 2.341 352 L HA 0.672 5.014 4.340 0.004 0.000 0.278 352 L C 0.618 177.520 176.870 0.053 0.000 1.005 352 L CA -0.903 53.971 54.840 0.056 0.000 0.818 352 L CB 2.102 44.188 42.059 0.045 0.000 1.259 352 L HN 0.196 nan 8.230 nan 0.000 0.418 353 R N 1.750 122.276 120.500 0.045 0.000 2.468 353 R HA 0.432 4.775 4.340 0.004 0.000 0.302 353 R C -0.876 175.449 176.300 0.041 0.000 1.041 353 R CA -0.311 55.818 56.100 0.049 0.000 0.899 353 R CB 1.888 32.208 30.300 0.032 0.000 1.167 353 R HN 0.736 nan 8.270 nan 0.000 0.483 354 T N -1.773 112.819 114.554 0.063 0.000 2.930 354 T HA 0.261 4.613 4.350 0.004 0.000 0.290 354 T C 0.975 175.721 174.700 0.078 0.000 1.052 354 T CA -0.937 61.197 62.100 0.057 0.000 1.017 354 T CB 1.857 70.759 68.868 0.058 0.000 1.137 354 T HN 0.314 nan 8.240 nan 0.000 0.511 355 E N 0.576 120.808 120.200 0.053 0.000 2.209 355 E HA -0.150 4.202 4.350 0.004 0.000 0.196 355 E C 2.146 178.789 176.600 0.072 0.000 0.993 355 E CA 1.493 57.925 56.400 0.054 0.000 0.819 355 E CB -0.504 29.212 29.700 0.028 0.000 0.745 355 E HN 0.792 nan 8.360 nan 0.000 0.477 356 A N 1.523 124.398 122.820 0.091 0.000 1.874 356 A HA -0.123 4.199 4.320 0.004 0.000 0.214 356 A C 2.461 180.180 177.584 0.225 0.000 1.189 356 A CA 1.684 53.797 52.037 0.128 0.000 0.615 356 A CB -0.536 18.599 19.000 0.225 0.000 0.830 356 A HN 0.335 nan 8.150 nan 0.000 0.443 357 S N -0.468 115.368 115.700 0.225 0.000 2.368 357 S HA -0.296 4.176 4.470 0.004 0.000 0.225 357 S C 1.913 176.640 174.600 0.212 0.000 1.030 357 S CA 1.769 60.112 58.200 0.239 0.000 0.999 357 S CB -0.907 62.385 63.200 0.154 0.000 0.844 357 S HN 0.709 nan 8.310 nan 0.000 0.459 358 H N 2.117 121.229 119.070 0.070 0.000 2.319 358 H HA -0.004 4.555 4.556 0.004 0.000 0.297 358 H C 2.358 177.695 175.328 0.015 0.000 1.097 358 H CA 2.298 58.368 56.048 0.037 0.000 1.285 358 H CB -0.236 29.533 29.762 0.012 0.000 1.368 358 H HN 0.404 nan 8.280 nan 0.000 0.495 359 R N -1.201 119.264 120.500 -0.058 0.000 2.075 359 R HA -0.085 4.257 4.340 0.004 0.000 0.232 359 R C 2.191 178.379 176.300 -0.186 0.000 1.126 359 R CA 1.381 57.352 56.100 -0.215 0.000 0.963 359 R CB -0.270 29.854 30.300 -0.292 0.000 0.858 359 R HN 0.295 nan 8.270 nan 0.000 0.435 360 F N 1.338 121.318 119.950 0.049 0.000 2.234 360 F HA -0.075 4.454 4.527 0.004 0.000 0.299 360 F C 2.150 177.980 175.800 0.051 0.000 1.087 360 F CA 1.050 59.102 58.000 0.087 0.000 1.340 360 F CB -0.237 38.880 39.000 0.194 0.000 1.031 360 F HN 0.037 nan 8.300 nan 0.000 0.500 361 E N -0.313 119.994 120.200 0.178 0.000 2.106 361 E HA -0.182 4.171 4.350 0.004 0.000 0.192 361 E C 2.184 178.798 176.600 0.023 0.000 0.984 361 E CA 0.868 57.324 56.400 0.094 0.000 0.806 361 E CB -0.092 29.645 29.700 0.061 0.000 0.750 361 E HN 0.213 nan 8.360 nan 0.000 0.458 362 R N -0.437 120.025 120.500 -0.064 0.000 2.193 362 R HA 0.089 4.432 4.340 0.004 0.000 0.213 362 R C 0.231 176.517 176.300 -0.024 0.000 1.055 362 R CA 0.749 56.799 56.100 -0.084 0.000 0.995 362 R CB 0.681 30.863 30.300 -0.196 0.000 0.893 362 R HN 0.194 nan 8.270 nan 0.000 0.459 363 G N -0.940 107.866 108.800 0.010 0.000 2.841 363 G HA2 -0.050 3.913 3.960 0.004 0.000 0.684 363 G HA3 -0.050 3.913 3.960 0.004 0.000 0.684 363 G C -1.279 173.629 174.900 0.014 0.000 1.273 363 G CA -0.885 44.242 45.100 0.045 0.000 0.811 363 G HN 0.036 nan 8.290 nan 0.000 0.631 364 V N 2.013 121.961 119.914 0.057 0.000 2.815 364 V HA 0.593 4.716 4.120 0.004 0.000 0.314 364 V C 0.234 176.355 176.094 0.046 0.000 1.064 364 V CA -0.480 61.829 62.300 0.015 0.000 0.952 364 V CB 1.944 33.778 31.823 0.019 0.000 1.020 364 V HN 1.000 nan 8.190 nan 0.000 0.439 365 D N 5.723 126.143 120.400 0.033 0.000 2.426 365 D HA 0.040 4.683 4.640 0.004 0.000 0.261 365 D C -1.052 175.290 176.300 0.070 0.000 1.245 365 D CA -1.362 52.673 54.000 0.058 0.000 0.917 365 D CB 1.310 42.151 40.800 0.068 0.000 1.123 365 D HN 0.270 nan 8.370 nan 0.000 0.508 366 P HA -0.144 nan 4.420 nan 0.000 0.220 366 P C 0.753 178.095 177.300 0.072 0.000 1.144 366 P CA 0.924 64.062 63.100 0.064 0.000 0.800 366 P CB 0.297 32.010 31.700 0.022 0.000 0.772 367 L N -1.596 119.667 121.223 0.066 0.000 3.289 367 L HA 0.389 4.731 4.340 0.004 0.000 0.291 367 L C 1.798 178.725 176.870 0.096 0.000 1.279 367 L CA -0.081 54.802 54.840 0.072 0.000 1.025 367 L CB 0.295 42.364 42.059 0.017 0.000 1.413 367 L HN -0.094 nan 8.230 nan 0.000 0.593 368 G N -1.104 107.753 108.800 0.095 0.000 3.020 368 G HA2 -0.041 3.921 3.960 0.004 0.000 0.217 368 G HA3 -0.041 3.921 3.960 0.004 0.000 0.217 368 G C 1.142 176.063 174.900 0.035 0.000 1.144 368 G CA -0.000 45.130 45.100 0.051 0.000 0.760 368 G HN 0.184 nan 8.290 nan 0.000 0.548 369 Q N 0.700 120.529 119.800 0.049 0.000 2.045 369 Q HA -0.102 4.240 4.340 0.004 0.000 0.206 369 Q C 2.783 178.766 176.000 -0.028 0.000 0.991 369 Q CA 1.588 57.367 55.803 -0.039 0.000 0.851 369 Q CB -0.877 27.744 28.738 -0.196 0.000 0.911 369 Q HN 0.301 nan 8.270 nan 0.000 0.418 370 V N 1.049 120.974 119.914 0.018 0.000 2.287 370 V HA -0.219 3.904 4.120 0.004 0.000 0.248 370 V C -0.876 175.230 176.094 0.021 0.000 1.053 370 V CA 2.147 64.463 62.300 0.026 0.000 1.027 370 V CB -1.587 30.273 31.823 0.063 0.000 0.646 370 V HN 0.301 nan 8.190 nan 0.000 0.447 371 P HA -0.092 nan 4.420 nan 0.000 0.218 371 P C 1.640 178.941 177.300 0.002 0.000 1.149 371 P CA 1.770 64.875 63.100 0.009 0.000 0.817 371 P CB -0.126 31.575 31.700 0.002 0.000 0.785 372 A N -0.507 122.310 122.820 -0.004 0.000 1.969 372 A HA -0.210 4.113 4.320 0.004 0.000 0.218 372 A C 2.241 179.828 177.584 0.005 0.000 1.169 372 A CA 1.264 53.297 52.037 -0.006 0.000 0.635 372 A CB -1.036 17.953 19.000 -0.019 0.000 0.810 372 A HN 0.111 nan 8.150 nan 0.000 0.445 373 Q N -0.186 119.616 119.800 0.003 0.000 2.079 373 Q HA -0.141 4.201 4.340 0.004 0.000 0.200 373 Q C 2.296 178.310 176.000 0.024 0.000 0.974 373 Q CA 1.382 57.194 55.803 0.014 0.000 0.840 373 Q CB -0.313 28.434 28.738 0.016 0.000 0.898 373 Q HN 0.690 nan 8.270 nan 0.000 0.430 374 R N 0.165 120.679 120.500 0.022 0.000 2.083 374 R HA -0.090 4.253 4.340 0.004 0.000 0.237 374 R C 2.417 178.732 176.300 0.025 0.000 1.137 374 R CA 0.762 56.876 56.100 0.023 0.000 0.951 374 R CB -0.272 30.040 30.300 0.019 0.000 0.851 374 R HN 0.115 nan 8.270 nan 0.000 0.434 375 R N 0.812 121.329 120.500 0.028 0.000 2.097 375 R HA -0.136 4.206 4.340 0.004 0.000 0.236 375 R C 2.218 178.551 176.300 0.055 0.000 1.135 375 R CA 1.981 58.109 56.100 0.047 0.000 0.934 375 R CB -0.640 29.692 30.300 0.053 0.000 0.846 375 R HN 0.261 nan 8.270 nan 0.000 0.431 376 A N 1.050 123.900 122.820 0.049 0.000 1.865 376 A HA -0.147 4.175 4.320 0.004 0.000 0.217 376 A C 2.482 180.079 177.584 0.021 0.000 1.191 376 A CA 1.385 53.448 52.037 0.042 0.000 0.623 376 A CB -0.719 18.301 19.000 0.033 0.000 0.826 376 A HN 0.318 nan 8.150 nan 0.000 0.444 377 L N -0.558 120.676 121.223 0.018 0.000 2.079 377 L HA -0.184 4.158 4.340 0.004 0.000 0.210 377 L C 2.931 179.796 176.870 -0.008 0.000 1.081 377 L CA 1.491 56.334 54.840 0.005 0.000 0.752 377 L CB -0.481 41.589 42.059 0.018 0.000 0.896 377 L HN 0.532 nan 8.230 nan 0.000 0.433 378 S N 0.262 115.965 115.700 0.005 0.000 2.348 378 S HA -0.172 4.301 4.470 0.004 0.000 0.221 378 S C 2.018 176.616 174.600 -0.003 0.000 1.033 378 S CA 1.296 59.496 58.200 0.000 0.000 1.010 378 S CB -0.239 62.969 63.200 0.013 0.000 0.891 378 S HN 0.308 nan 8.310 nan 0.000 0.442 379 L N 0.985 122.215 121.223 0.012 0.000 2.083 379 L HA -0.076 4.266 4.340 0.004 0.000 0.209 379 L C 2.429 179.283 176.870 -0.027 0.000 1.083 379 L CA 0.994 55.839 54.840 0.007 0.000 0.752 379 L CB -0.459 41.614 42.059 0.023 0.000 0.899 379 L HN 0.364 nan 8.230 nan 0.000 0.433 380 L N -0.821 120.380 121.223 -0.035 0.000 2.083 380 L HA -0.248 4.094 4.340 0.004 0.000 0.209 380 L C 2.651 179.478 176.870 -0.072 0.000 1.083 380 L CA 1.253 56.057 54.840 -0.059 0.000 0.752 380 L CB -0.441 41.584 42.059 -0.057 0.000 0.899 380 L HN 0.366 nan 8.230 nan 0.000 0.433 381 Q N -0.004 119.756 119.800 -0.068 0.000 2.079 381 Q HA -0.189 4.154 4.340 0.004 0.000 0.200 381 Q C 2.261 178.222 176.000 -0.064 0.000 0.974 381 Q CA 1.700 57.454 55.803 -0.082 0.000 0.840 381 Q CB -0.032 28.662 28.738 -0.074 0.000 0.898 381 Q HN 0.495 nan 8.270 nan 0.000 0.430 382 A N -0.275 122.519 122.820 -0.043 0.000 1.968 382 A HA -0.071 4.252 4.320 0.004 0.000 0.217 382 A C 1.609 179.176 177.584 -0.029 0.000 1.169 382 A CA 0.971 52.991 52.037 -0.028 0.000 0.638 382 A CB -0.033 18.964 19.000 -0.006 0.000 0.812 382 A HN 0.396 nan 8.150 nan 0.000 0.446 383 L N -2.310 118.886 121.223 -0.044 0.000 2.609 383 L HA 0.380 4.723 4.340 0.004 0.000 0.230 383 L C 1.889 178.714 176.870 -0.074 0.000 1.087 383 L CA 1.156 55.958 54.840 -0.063 0.000 0.874 383 L CB 0.027 42.024 42.059 -0.103 0.000 1.114 383 L HN 0.326 nan 8.230 nan 0.000 0.488 384 A N -1.288 121.487 122.820 -0.076 0.000 2.571 384 A HA 0.555 4.878 4.320 0.004 0.000 0.274 384 A C 1.466 179.000 177.584 -0.084 0.000 1.196 384 A CA 0.339 52.329 52.037 -0.077 0.000 0.957 384 A CB -0.308 18.643 19.000 -0.081 0.000 1.150 384 A HN 0.311 nan 8.150 nan 0.000 0.539 385 G N -0.104 108.646 108.800 -0.083 0.000 2.321 385 G HA2 0.031 3.994 3.960 0.004 0.000 0.287 385 G HA3 0.031 3.994 3.960 0.004 0.000 0.287 385 G C 0.560 175.375 174.900 -0.141 0.000 1.018 385 G CA 0.611 45.654 45.100 -0.095 0.000 0.855 385 G HN 1.716 nan 8.290 nan 0.000 0.507 386 A N -0.232 122.495 122.820 -0.154 0.000 2.445 386 A HA 0.617 4.939 4.320 0.004 0.000 0.242 386 A C 0.902 178.292 177.584 -0.324 0.000 1.075 386 A CA 0.067 51.966 52.037 -0.230 0.000 0.777 386 A CB 0.380 19.272 19.000 -0.181 0.000 1.013 386 A HN 0.457 nan 8.150 nan 0.000 0.493 387 R N 1.256 121.403 120.500 -0.588 0.000 2.294 387 R HA 0.513 4.856 4.340 0.004 0.000 0.319 387 R C -1.258 174.614 176.300 -0.713 0.000 0.984 387 R CA -0.394 55.232 56.100 -0.790 0.000 0.861 387 R CB 1.544 30.990 30.300 -1.425 0.000 1.104 387 R HN 0.486 nan 8.270 nan 0.000 0.451 388 V N 2.058 121.798 119.914 -0.289 0.000 2.680 388 V HA 0.469 4.592 4.120 0.004 0.000 0.309 388 V C 0.147 176.308 176.094 0.111 0.000 1.052 388 V CA -1.015 61.237 62.300 -0.080 0.000 0.908 388 V CB 1.898 33.691 31.823 -0.050 0.000 1.001 388 V HN 0.893 nan 8.190 nan 0.000 0.431 389 A N 1.986 124.934 122.820 0.214 0.000 2.371 389 A HA 0.376 4.698 4.320 0.004 0.000 0.257 389 A C 1.074 178.750 177.584 0.154 0.000 1.089 389 A CA -0.017 52.175 52.037 0.257 0.000 0.794 389 A CB 0.318 19.554 19.000 0.393 0.000 1.029 389 A HN 1.019 nan 8.150 nan 0.000 0.488 390 E N 1.105 121.376 120.200 0.119 0.000 2.152 390 E HA 0.070 4.423 4.350 0.004 0.000 0.192 390 E C 0.819 177.463 176.600 0.075 0.000 0.983 390 E CA 0.862 57.309 56.400 0.080 0.000 0.818 390 E CB 0.040 29.777 29.700 0.062 0.000 0.758 390 E HN 0.795 nan 8.360 nan 0.000 0.467 391 A N 0.612 123.480 122.820 0.079 0.000 2.282 391 A HA 0.615 4.937 4.320 0.004 0.000 0.319 391 A C -0.674 176.958 177.584 0.079 0.000 1.121 391 A CA -0.590 51.483 52.037 0.061 0.000 0.836 391 A CB 0.780 19.799 19.000 0.032 0.000 1.146 391 A HN 0.241 nan 8.150 nan 0.000 0.494 392 L N 0.558 121.822 121.223 0.069 0.000 2.323 392 L HA 0.492 4.834 4.340 0.004 0.000 0.265 392 L C -0.793 176.122 176.870 0.074 0.000 1.012 392 L CA -0.642 54.252 54.840 0.088 0.000 0.820 392 L CB 1.803 43.909 42.059 0.079 0.000 1.334 392 L HN 0.560 nan 8.230 nan 0.000 0.427 393 L N 1.900 123.189 121.223 0.110 0.000 2.265 393 L HA 0.440 4.782 4.340 0.004 0.000 0.288 393 L C -0.245 176.709 176.870 0.141 0.000 1.058 393 L CA -0.023 54.889 54.840 0.120 0.000 0.809 393 L CB 1.144 43.306 42.059 0.173 0.000 1.179 393 L HN 0.593 nan 8.230 nan 0.000 0.429 394 E N 2.861 123.134 120.200 0.122 0.000 2.234 394 E HA 0.735 5.088 4.350 0.004 0.000 0.266 394 E C -1.524 175.169 176.600 0.155 0.000 0.877 394 E CA -0.692 55.785 56.400 0.129 0.000 0.758 394 E CB 2.305 32.077 29.700 0.119 0.000 1.170 394 E HN 0.652 nan 8.360 nan 0.000 0.415 395 A N 2.867 125.805 122.820 0.196 0.000 2.374 395 A HA 0.845 5.167 4.320 0.004 0.000 0.305 395 A C -0.171 177.563 177.584 0.251 0.000 1.053 395 A CA 0.016 52.164 52.037 0.185 0.000 0.726 395 A CB 1.480 20.574 19.000 0.156 0.000 1.229 395 A HN 0.927 nan 8.150 nan 0.000 0.431 396 G N 0.393 109.303 108.800 0.184 0.000 2.697 396 G HA2 0.324 4.286 3.960 0.004 0.000 0.686 396 G HA3 0.324 4.286 3.960 0.004 0.000 0.686 396 G C -0.495 174.455 174.900 0.084 0.000 1.179 396 G CA -0.272 44.923 45.100 0.159 0.000 0.765 396 G HN 1.582 nan 8.290 nan 0.000 0.649 397 S N 2.674 118.359 115.700 -0.025 0.000 2.279 397 S HA 0.528 5.000 4.470 0.004 0.000 0.176 397 S C -2.239 172.281 174.600 -0.133 0.000 1.554 397 S CA -0.684 57.461 58.200 -0.092 0.000 1.242 397 S CB 1.690 64.874 63.200 -0.027 0.000 1.163 397 S HN 0.735 nan 8.310 nan 0.000 0.449 398 P HA 0.176 nan 4.420 nan 0.000 0.271 398 P C -0.323 176.912 177.300 -0.108 0.000 1.216 398 P CA -0.570 62.428 63.100 -0.170 0.000 0.771 398 P CB 0.486 32.044 31.700 -0.236 0.000 0.864 399 K N 3.655 124.018 120.400 -0.061 0.000 2.270 399 K HA 0.376 4.699 4.320 0.004 0.000 0.276 399 K C -2.604 173.975 176.600 -0.035 0.000 1.023 399 K CA -1.724 54.539 56.287 -0.039 0.000 0.955 399 K CB -0.532 31.954 32.500 -0.024 0.000 0.975 399 K HN 0.194 nan 8.250 nan 0.000 0.471 400 P HA 0.240 nan 4.420 nan 0.000 0.273 400 P C -2.366 174.924 177.300 -0.017 0.000 1.250 400 P CA -0.886 62.202 63.100 -0.021 0.000 0.793 400 P CB -0.277 31.415 31.700 -0.014 0.000 1.011 401 P HA 0.194 nan 4.420 nan 0.000 0.278 401 P C -0.570 176.724 177.300 -0.010 0.000 1.238 401 P CA -0.128 62.962 63.100 -0.017 0.000 0.794 401 P CB 0.941 32.623 31.700 -0.029 0.000 0.955 402 E N 0.298 120.495 120.200 -0.005 0.000 2.349 402 E HA 0.438 4.790 4.350 0.004 0.000 0.262 402 E C 0.130 176.734 176.600 0.007 0.000 1.088 402 E CA -0.782 55.619 56.400 0.002 0.000 0.899 402 E CB 0.749 30.452 29.700 0.005 0.000 1.044 402 E HN 0.505 nan 8.360 nan 0.000 0.420 403 A N 2.178 125.007 122.820 0.016 0.000 2.407 403 A HA 0.339 4.661 4.320 0.004 0.000 0.248 403 A C -0.200 177.406 177.584 0.037 0.000 1.082 403 A CA 0.029 52.083 52.037 0.028 0.000 0.785 403 A CB 0.063 19.085 19.000 0.037 0.000 1.020 403 A HN 0.493 nan 8.150 nan 0.000 0.489 404 I N 1.882 122.484 120.570 0.053 0.000 2.646 404 I HA 0.342 4.515 4.170 0.004 0.000 0.299 404 I C -2.372 173.819 176.117 0.124 0.000 1.036 404 I CA -2.484 58.859 61.300 0.072 0.000 1.074 404 I CB 2.243 40.282 38.000 0.065 0.000 1.258 404 I HN 0.353 nan 8.210 nan 0.000 0.430 405 P HA 0.048 nan 4.420 nan 0.000 0.264 405 P C -1.120 176.354 177.300 0.290 0.000 1.193 405 P CA 0.431 63.621 63.100 0.150 0.000 0.763 405 P CB 0.140 31.884 31.700 0.073 0.000 0.810 406 F N 4.314 124.336 119.950 0.121 0.000 2.730 406 F HA 0.421 4.950 4.527 0.004 0.000 0.335 406 F C -0.667 175.264 175.800 0.219 0.000 1.212 406 F CA -0.874 57.219 58.000 0.155 0.000 1.016 406 F CB 1.400 40.476 39.000 0.126 0.000 1.290 406 F HN 0.081 nan 8.300 nan 0.000 0.495 407 R N 7.608 127.779 120.500 -0.550 0.000 2.246 407 R HA 0.381 4.724 4.340 0.004 0.000 0.332 407 R C -2.049 173.878 176.300 -0.622 0.000 0.974 407 R CA -1.760 54.099 56.100 -0.402 0.000 0.837 407 R CB 0.970 31.195 30.300 -0.126 0.000 1.145 407 R HN 0.322 nan 8.270 nan 0.000 0.467 408 P HA -0.280 nan 4.420 nan 0.000 0.215 408 P C 0.951 178.189 177.300 -0.104 0.000 1.157 408 P CA 1.159 64.090 63.100 -0.281 0.000 0.874 408 P CB 0.367 32.060 31.700 -0.013 0.000 0.790 409 E N -0.838 119.327 120.200 -0.059 0.000 2.085 409 E HA -0.228 4.124 4.350 0.004 0.000 0.194 409 E C 2.024 178.634 176.600 0.017 0.000 0.994 409 E CA 1.339 57.733 56.400 -0.009 0.000 0.801 409 E CB -0.765 28.938 29.700 0.006 0.000 0.743 409 E HN 0.235 nan 8.360 nan 0.000 0.453 410 Y N 0.601 120.826 120.300 -0.124 0.000 2.263 410 Y HA -0.025 4.527 4.550 0.004 0.000 0.292 410 Y C 2.128 177.998 175.900 -0.050 0.000 1.130 410 Y CA 1.437 59.486 58.100 -0.086 0.000 1.179 410 Y CB -0.625 37.777 38.460 -0.096 0.000 0.998 410 Y HN 0.063 nan 8.280 nan 0.000 0.532 411 A N 0.814 123.553 122.820 -0.136 0.000 1.865 411 A HA -0.247 4.075 4.320 0.004 0.000 0.217 411 A C 2.153 179.681 177.584 -0.094 0.000 1.191 411 A CA 2.062 54.047 52.037 -0.087 0.000 0.623 411 A CB -0.876 18.218 19.000 0.156 0.000 0.826 411 A HN 0.570 nan 8.150 nan 0.000 0.444 412 N N -0.747 117.923 118.700 -0.051 0.000 2.188 412 N HA -0.121 4.622 4.740 0.004 0.000 0.184 412 N C 1.883 177.316 175.510 -0.130 0.000 1.018 412 N CA 1.258 54.255 53.050 -0.088 0.000 0.858 412 N CB -0.407 38.036 38.487 -0.073 0.000 0.989 412 N HN 0.550 nan 8.380 nan 0.000 0.426 413 R N 0.329 120.754 120.500 -0.124 0.000 2.081 413 R HA -0.056 4.287 4.340 0.004 0.000 0.235 413 R C 2.062 178.258 176.300 -0.172 0.000 1.131 413 R CA 0.837 56.871 56.100 -0.109 0.000 0.960 413 R CB -0.254 30.028 30.300 -0.030 0.000 0.856 413 R HN 0.096 nan 8.270 nan 0.000 0.436 414 L N 0.578 121.599 121.223 -0.337 0.000 2.109 414 L HA -0.062 4.280 4.340 0.004 0.000 0.207 414 L C 1.747 178.494 176.870 -0.205 0.000 1.086 414 L CA 1.600 56.233 54.840 -0.346 0.000 0.760 414 L CB -0.110 41.567 42.059 -0.636 0.000 0.910 414 L HN 0.183 nan 8.230 nan 0.000 0.437 415 L N -0.847 120.269 121.223 -0.179 0.000 2.270 415 L HA 0.207 4.549 4.340 0.004 0.000 0.210 415 L C 1.540 178.329 176.870 -0.135 0.000 1.104 415 L CA 0.678 55.438 54.840 -0.134 0.000 0.804 415 L CB -0.577 41.437 42.059 -0.074 0.000 0.937 415 L HN 0.500 nan 8.230 nan 0.000 0.450 416 G N 0.768 109.483 108.800 -0.140 0.000 2.132 416 G HA2 -0.254 3.709 3.960 0.004 0.000 0.228 416 G HA3 -0.254 3.709 3.960 0.004 0.000 0.228 416 G C 0.326 175.124 174.900 -0.170 0.000 1.000 416 G CA 0.340 45.364 45.100 -0.127 0.000 0.693 416 G HN 0.400 nan 8.290 nan 0.000 0.515 417 T N -2.677 111.728 114.554 -0.248 0.000 2.876 417 T HA 0.784 5.136 4.350 0.004 0.000 0.277 417 T C 0.701 175.180 174.700 -0.368 0.000 0.997 417 T CA 0.406 62.250 62.100 -0.427 0.000 0.966 417 T CB 1.970 70.294 68.868 -0.907 0.000 1.312 417 T HN 1.498 nan 8.240 nan 0.000 0.598 418 S N -0.461 114.964 115.700 -0.458 0.000 2.598 418 S HA 0.296 4.768 4.470 0.004 0.000 0.209 418 S C -1.162 173.344 174.600 -0.156 0.000 1.029 418 S CA -0.887 57.176 58.200 -0.229 0.000 1.172 418 S CB -0.903 62.218 63.200 -0.132 0.000 1.427 418 S HN 0.584 nan 8.310 nan 0.000 0.418 419 Y N 2.077 122.382 120.300 0.009 0.000 2.425 419 Y HA 0.417 4.970 4.550 0.004 0.000 0.331 419 Y C -2.326 173.587 175.900 0.022 0.000 1.157 419 Y CA -1.811 56.300 58.100 0.017 0.000 1.372 419 Y CB -0.211 38.266 38.460 0.028 0.000 1.253 419 Y HN 0.266 nan 8.280 nan 0.000 0.536 420 P HA 0.028 nan 4.420 nan 0.000 0.271 420 P C 0.762 178.128 177.300 0.110 0.000 1.216 420 P CA -0.091 63.075 63.100 0.109 0.000 0.771 420 P CB 0.761 32.509 31.700 0.081 0.000 0.864 421 E N 2.989 123.246 120.200 0.095 0.000 2.108 421 E HA -0.335 4.017 4.350 0.004 0.000 0.203 421 E C 1.752 178.385 176.600 0.055 0.000 1.022 421 E CA 1.941 58.397 56.400 0.092 0.000 0.823 421 E CB -0.302 29.462 29.700 0.108 0.000 0.744 421 E HN 0.527 nan 8.360 nan 0.000 0.456 422 A N 0.773 123.620 122.820 0.045 0.000 1.940 422 A HA -0.252 4.071 4.320 0.004 0.000 0.219 422 A C 1.888 179.473 177.584 0.002 0.000 1.176 422 A CA 1.819 53.867 52.037 0.018 0.000 0.631 422 A CB -0.496 18.519 19.000 0.025 0.000 0.814 422 A HN 0.344 nan 8.150 nan 0.000 0.446 423 E N -0.508 119.702 120.200 0.016 0.000 2.106 423 E HA -0.196 4.157 4.350 0.004 0.000 0.192 423 E C 2.297 178.877 176.600 -0.033 0.000 0.984 423 E CA 1.144 57.537 56.400 -0.012 0.000 0.806 423 E CB -0.191 29.508 29.700 -0.002 0.000 0.750 423 E HN 0.719 nan 8.360 nan 0.000 0.458 424 Q N 0.380 120.188 119.800 0.013 0.000 2.050 424 Q HA -0.155 4.187 4.340 0.004 0.000 0.202 424 Q C 2.299 178.274 176.000 -0.042 0.000 0.980 424 Q CA 1.146 56.967 55.803 0.031 0.000 0.840 424 Q CB -0.084 28.779 28.738 0.207 0.000 0.898 424 Q HN 0.358 nan 8.270 nan 0.000 0.424 425 I N 0.387 120.923 120.570 -0.056 0.000 2.353 425 I HA -0.206 3.966 4.170 0.004 0.000 0.248 425 I C 2.380 178.435 176.117 -0.104 0.000 1.119 425 I CA 0.704 61.926 61.300 -0.130 0.000 1.417 425 I CB -0.322 37.563 38.000 -0.192 0.000 1.078 425 I HN 0.130 nan 8.210 nan 0.000 0.421 426 A N 1.040 123.816 122.820 -0.073 0.000 1.933 426 A HA -0.161 4.162 4.320 0.004 0.000 0.218 426 A C 2.293 179.832 177.584 -0.075 0.000 1.175 426 A CA 1.371 53.372 52.037 -0.061 0.000 0.628 426 A CB -0.700 18.270 19.000 -0.050 0.000 0.814 426 A HN 0.359 nan 8.150 nan 0.000 0.444 427 I N -0.298 120.217 120.570 -0.092 0.000 2.179 427 I HA -0.256 3.916 4.170 0.004 0.000 0.242 427 I C 2.300 178.356 176.117 -0.102 0.000 1.088 427 I CA 1.200 62.440 61.300 -0.101 0.000 1.357 427 I CB -0.339 37.589 38.000 -0.120 0.000 1.051 427 I HN 0.295 nan 8.210 nan 0.000 0.409 428 L N 0.370 121.507 121.223 -0.144 0.000 2.127 428 L HA -0.224 4.118 4.340 0.004 0.000 0.211 428 L C 2.459 179.272 176.870 -0.095 0.000 1.089 428 L CA 1.427 56.169 54.840 -0.162 0.000 0.757 428 L CB -0.599 41.297 42.059 -0.272 0.000 0.899 428 L HN 0.227 nan 8.230 nan 0.000 0.434 429 K N -0.117 120.240 120.400 -0.072 0.000 2.103 429 K HA -0.075 4.248 4.320 0.004 0.000 0.204 429 K C 2.221 178.830 176.600 0.016 0.000 1.052 429 K CA 0.816 57.086 56.287 -0.028 0.000 0.945 429 K CB -0.027 32.459 32.500 -0.024 0.000 0.722 429 K HN 0.261 nan 8.250 nan 0.000 0.443 430 R N 0.673 121.179 120.500 0.009 0.000 2.148 430 R HA -0.020 4.322 4.340 0.004 0.000 0.227 430 R C 1.878 178.260 176.300 0.138 0.000 1.103 430 R CA 0.791 56.932 56.100 0.068 0.000 0.983 430 R CB -0.161 30.097 30.300 -0.070 0.000 0.874 430 R HN 0.138 nan 8.270 nan 0.000 0.451 431 L N -0.384 120.876 121.223 0.061 0.000 2.599 431 L HA 0.118 4.460 4.340 0.004 0.000 0.230 431 L C 1.074 177.993 176.870 0.082 0.000 1.141 431 L CA 0.489 55.374 54.840 0.077 0.000 0.877 431 L CB 0.240 42.308 42.059 0.015 0.000 1.009 431 L HN 0.466 nan 8.230 nan 0.000 0.447 432 G N -1.372 107.468 108.800 0.066 0.000 2.157 432 G HA2 -0.235 3.727 3.960 0.004 0.000 0.239 432 G HA3 -0.235 3.727 3.960 0.004 0.000 0.239 432 G C 0.262 175.163 174.900 0.001 0.000 0.982 432 G CA -0.142 44.992 45.100 0.057 0.000 0.650 432 G HN 0.289 nan 8.290 nan 0.000 0.527 433 C N 0.090 119.372 119.300 -0.030 0.000 2.500 433 C HA 0.722 5.184 4.460 0.004 0.000 0.367 433 C C 1.097 176.068 174.990 -0.031 0.000 1.283 433 C CA -0.453 58.534 59.018 -0.052 0.000 2.456 433 C CB 1.014 28.700 27.740 -0.091 0.000 2.457 433 C HN 0.627 nan 8.230 nan 0.000 0.632 434 R N 0.700 121.186 120.500 -0.024 0.000 2.393 434 R HA 0.632 4.974 4.340 0.004 0.000 0.310 434 R C -1.645 174.658 176.300 0.004 0.000 0.968 434 R CA -0.216 55.882 56.100 -0.003 0.000 0.867 434 R CB 0.809 31.113 30.300 0.008 0.000 1.124 434 R HN 0.620 nan 8.270 nan 0.000 0.450 435 V N 4.456 124.380 119.914 0.015 0.000 2.378 435 V HA 0.332 4.454 4.120 0.004 0.000 0.288 435 V C -0.523 175.635 176.094 0.106 0.000 1.016 435 V CA -0.664 61.664 62.300 0.045 0.000 0.840 435 V CB 1.445 33.258 31.823 -0.016 0.000 0.994 435 V HN 0.836 nan 8.190 nan 0.000 0.431 436 E N 2.819 123.110 120.200 0.152 0.000 2.212 436 E HA 0.792 5.144 4.350 0.004 0.000 0.268 436 E C 0.278 177.003 176.600 0.208 0.000 0.902 436 E CA -0.210 56.280 56.400 0.150 0.000 0.779 436 E CB 2.376 32.131 29.700 0.091 0.000 1.172 436 E HN 1.030 nan 8.360 nan 0.000 0.409 437 G N 1.435 110.325 108.800 0.151 0.000 2.462 437 G HA2 -0.131 3.832 3.960 0.004 0.000 0.685 437 G HA3 -0.131 3.832 3.960 0.004 0.000 0.685 437 G C -0.163 174.755 174.900 0.030 0.000 1.295 437 G CA -0.554 44.577 45.100 0.052 0.000 0.941 437 G HN 0.489 nan 8.290 nan 0.000 0.554 438 E N -0.786 119.313 120.200 -0.169 0.000 2.717 438 E HA 0.225 4.577 4.350 0.004 0.000 0.204 438 E C 1.848 178.221 176.600 -0.379 0.000 0.911 438 E CA 0.796 57.108 56.400 -0.148 0.000 1.370 438 E CB -0.122 29.555 29.700 -0.039 0.000 1.315 438 E HN 1.091 nan 8.360 nan 0.000 0.643 439 G N 3.146 111.745 108.800 -0.335 0.000 2.714 439 G HA2 -0.060 3.903 3.960 0.004 0.000 0.278 439 G HA3 -0.060 3.903 3.960 0.004 0.000 0.278 439 G C -1.278 173.358 174.900 -0.439 0.000 1.288 439 G CA 0.016 44.940 45.100 -0.293 0.000 1.027 439 G HN 0.037 nan 8.290 nan 0.000 0.607 440 P HA -0.055 nan 4.420 nan 0.000 0.218 440 P C 0.895 178.106 177.300 -0.149 0.000 1.149 440 P CA 1.524 64.538 63.100 -0.144 0.000 0.817 440 P CB 0.149 31.805 31.700 -0.073 0.000 0.785 441 T N -0.802 113.637 114.554 -0.192 0.000 2.874 441 T HA 0.347 4.699 4.350 0.004 0.000 0.321 441 T C -0.455 174.194 174.700 -0.086 0.000 1.075 441 T CA -0.837 61.213 62.100 -0.084 0.000 0.966 441 T CB -0.445 68.389 68.868 -0.056 0.000 1.001 441 T HN -0.203 nan 8.240 nan 0.000 0.476 442 Y N 2.716 123.056 120.300 0.067 0.000 2.281 442 Y HA 0.477 5.029 4.550 0.004 0.000 0.337 442 Y C 1.369 177.340 175.900 0.119 0.000 1.304 442 Y CA -0.792 57.375 58.100 0.113 0.000 1.465 442 Y CB 0.658 39.230 38.460 0.187 0.000 1.350 442 Y HN 0.414 nan 8.280 nan 0.000 0.575 443 R N 0.790 121.453 120.500 0.273 0.000 2.287 443 R HA 0.472 4.815 4.340 0.004 0.000 0.316 443 R C -1.755 174.636 176.300 0.151 0.000 1.050 443 R CA -0.448 55.753 56.100 0.168 0.000 0.983 443 R CB 0.812 31.173 30.300 0.102 0.000 1.140 443 R HN 0.341 nan 8.270 nan 0.000 0.528 444 V N 2.599 122.595 119.914 0.136 0.000 2.350 444 V HA 0.248 4.370 4.120 0.004 0.000 0.276 444 V C 0.368 176.475 176.094 0.022 0.000 1.028 444 V CA -0.528 61.806 62.300 0.056 0.000 0.860 444 V CB 1.551 33.370 31.823 -0.006 0.000 0.990 444 V HN 0.661 nan 8.190 nan 0.000 0.453 445 T N 6.648 121.205 114.554 0.005 0.000 2.772 445 T HA 0.526 4.878 4.350 0.004 0.000 0.288 445 T C -2.401 172.279 174.700 -0.035 0.000 0.994 445 T CA -2.072 60.023 62.100 -0.008 0.000 0.951 445 T CB 1.841 70.710 68.868 0.002 0.000 0.933 445 T HN 0.506 nan 8.240 nan 0.000 0.447 446 P HA 0.362 nan 4.420 nan 0.000 0.276 446 P C -2.708 174.528 177.300 -0.105 0.000 1.244 446 P CA -1.767 61.278 63.100 -0.092 0.000 0.801 446 P CB 0.083 31.721 31.700 -0.103 0.000 1.006 447 P HA 0.009 nan 4.420 nan 0.000 0.275 447 P C 1.133 178.315 177.300 -0.196 0.000 1.228 447 P CA -0.011 62.996 63.100 -0.154 0.000 0.786 447 P CB 0.407 32.003 31.700 -0.173 0.000 0.927 448 S N 1.470 117.128 115.700 -0.069 0.000 2.440 448 S HA -0.243 4.229 4.470 0.004 0.000 0.240 448 S C 1.700 176.286 174.600 -0.023 0.000 1.014 448 S CA 1.241 59.419 58.200 -0.036 0.000 0.980 448 S CB -1.505 61.702 63.200 0.011 0.000 0.775 448 S HN 0.706 nan 8.310 nan 0.000 0.499 449 H N 0.591 119.651 119.070 -0.018 0.000 2.546 449 H HA 0.179 4.738 4.556 0.004 0.000 0.277 449 H C 0.136 175.453 175.328 -0.018 0.000 1.004 449 H CA 0.220 56.254 56.048 -0.024 0.000 1.231 449 H CB -0.309 29.429 29.762 -0.039 0.000 1.382 449 H HN 0.180 nan 8.280 nan 0.000 0.580 450 R N 2.037 122.339 120.500 -0.331 0.000 2.870 450 R HA 0.183 4.525 4.340 0.004 0.000 0.254 450 R C 1.211 177.458 176.300 -0.088 0.000 1.392 450 R CA -0.196 55.783 56.100 -0.201 0.000 1.322 450 R CB 0.045 30.181 30.300 -0.274 0.000 1.205 450 R HN 0.409 nan 8.270 nan 0.000 0.597 451 L N 0.555 121.760 121.223 -0.030 0.000 2.376 451 L HA -0.119 4.223 4.340 0.004 0.000 0.219 451 L C 1.483 178.347 176.870 -0.010 0.000 1.133 451 L CA 0.969 55.801 54.840 -0.013 0.000 0.816 451 L CB -0.283 41.780 42.059 0.007 0.000 0.933 451 L HN 0.357 nan 8.230 nan 0.000 0.449 452 D N 0.436 120.830 120.400 -0.010 0.000 2.340 452 D HA -0.042 4.600 4.640 0.004 0.000 0.220 452 D C 0.796 177.090 176.300 -0.009 0.000 1.039 452 D CA 0.226 54.224 54.000 -0.004 0.000 0.866 452 D CB 0.081 40.883 40.800 0.003 0.000 0.913 452 D HN 0.297 nan 8.370 nan 0.000 0.523 453 L N 1.295 122.502 121.223 -0.027 0.000 2.314 453 L HA 0.367 4.709 4.340 0.004 0.000 0.275 453 L C 1.128 177.988 176.870 -0.016 0.000 1.068 453 L CA -0.430 54.394 54.840 -0.028 0.000 0.894 453 L CB 0.998 43.022 42.059 -0.059 0.000 1.275 453 L HN -0.201 nan 8.230 nan 0.000 0.432 454 R N 1.950 122.452 120.500 0.004 0.000 2.444 454 R HA 0.404 4.747 4.340 0.004 0.000 0.201 454 R C 0.175 176.492 176.300 0.029 0.000 0.861 454 R CA 0.240 56.347 56.100 0.012 0.000 1.034 454 R CB 0.764 31.071 30.300 0.012 0.000 1.347 454 R HN 0.384 nan 8.270 nan 0.000 0.659 455 L N 0.786 122.034 121.223 0.042 0.000 2.334 455 L HA 0.315 4.658 4.340 0.004 0.000 0.270 455 L C 1.804 178.737 176.870 0.104 0.000 1.018 455 L CA -0.420 54.459 54.840 0.066 0.000 0.811 455 L CB 1.699 43.797 42.059 0.066 0.000 1.271 455 L HN 0.064 nan 8.230 nan 0.000 0.443 456 E N 0.681 120.966 120.200 0.142 0.000 2.085 456 E HA -0.250 4.102 4.350 0.004 0.000 0.194 456 E C 1.318 178.092 176.600 0.290 0.000 0.994 456 E CA 1.739 58.287 56.400 0.247 0.000 0.801 456 E CB 0.332 30.173 29.700 0.234 0.000 0.743 456 E HN 0.678 nan 8.360 nan 0.000 0.453 457 E N 1.111 121.459 120.200 0.247 0.000 2.070 457 E HA -0.210 4.142 4.350 0.004 0.000 0.197 457 E C 1.788 178.475 176.600 0.144 0.000 1.004 457 E CA 1.618 58.147 56.400 0.215 0.000 0.805 457 E CB -0.212 29.587 29.700 0.165 0.000 0.744 457 E HN 0.363 nan 8.360 nan 0.000 0.451 458 D N -0.182 120.281 120.400 0.105 0.000 2.133 458 D HA -0.165 4.478 4.640 0.004 0.000 0.195 458 D C 1.739 178.066 176.300 0.045 0.000 0.997 458 D CA 0.806 54.843 54.000 0.061 0.000 0.840 458 D CB -0.081 40.741 40.800 0.036 0.000 0.947 458 D HN 0.117 nan 8.370 nan 0.000 0.452 459 L N 0.644 121.901 121.223 0.056 0.000 2.141 459 L HA -0.081 4.262 4.340 0.004 0.000 0.209 459 L C 2.541 179.430 176.870 0.033 0.000 1.094 459 L CA 0.736 55.552 54.840 -0.039 0.000 0.763 459 L CB -1.180 40.793 42.059 -0.143 0.000 0.908 459 L HN -0.026 nan 8.230 nan 0.000 0.437 460 V N -0.259 119.772 119.914 0.195 0.000 2.515 460 V HA -0.228 3.894 4.120 0.004 0.000 0.250 460 V C 2.522 178.684 176.094 0.114 0.000 1.058 460 V CA 1.412 63.835 62.300 0.205 0.000 1.064 460 V CB -0.438 31.476 31.823 0.151 0.000 0.675 460 V HN 0.482 nan 8.190 nan 0.000 0.461 461 E N -0.087 120.168 120.200 0.092 0.000 2.204 461 E HA -0.224 4.129 4.350 0.004 0.000 0.194 461 E C 2.141 178.789 176.600 0.081 0.000 0.989 461 E CA 0.906 57.370 56.400 0.107 0.000 0.824 461 E CB 0.084 29.843 29.700 0.098 0.000 0.756 461 E HN 0.530 nan 8.360 nan 0.000 0.477 462 E N 0.188 120.401 120.200 0.022 0.000 2.077 462 E HA -0.140 4.212 4.350 0.004 0.000 0.193 462 E C 2.217 178.797 176.600 -0.033 0.000 0.989 462 E CA 0.861 57.247 56.400 -0.023 0.000 0.800 462 E CB -0.214 29.441 29.700 -0.075 0.000 0.746 462 E HN 0.195 nan 8.360 nan 0.000 0.452 463 V N 1.525 121.422 119.914 -0.029 0.000 2.307 463 V HA -0.233 3.890 4.120 0.004 0.000 0.245 463 V C 2.437 178.490 176.094 -0.069 0.000 1.045 463 V CA 1.765 64.027 62.300 -0.063 0.000 1.024 463 V CB -0.915 30.920 31.823 0.019 0.000 0.651 463 V HN 0.243 nan 8.190 nan 0.000 0.449 464 A N 1.504 124.365 122.820 0.068 0.000 1.865 464 A HA -0.270 4.053 4.320 0.004 0.000 0.217 464 A C 2.371 180.099 177.584 0.240 0.000 1.191 464 A CA 2.333 54.476 52.037 0.178 0.000 0.623 464 A CB -0.609 18.521 19.000 0.217 0.000 0.826 464 A HN 0.683 nan 8.150 nan 0.000 0.444 465 R N -0.772 119.847 120.500 0.199 0.000 2.115 465 R HA -0.023 4.320 4.340 0.004 0.000 0.230 465 R C 1.589 177.869 176.300 -0.034 0.000 1.111 465 R CA 1.509 57.608 56.100 -0.000 0.000 0.976 465 R CB -0.491 29.718 30.300 -0.151 0.000 0.870 465 R HN 0.398 nan 8.270 nan 0.000 0.445 466 I N 1.550 122.096 120.570 -0.039 0.000 2.286 466 I HA -0.140 4.032 4.170 0.004 0.000 0.245 466 I C 2.362 178.428 176.117 -0.084 0.000 1.104 466 I CA 1.159 62.424 61.300 -0.059 0.000 1.397 466 I CB -1.013 36.942 38.000 -0.075 0.000 1.072 466 I HN 0.234 nan 8.210 nan 0.000 0.417 467 Q N 0.895 120.608 119.800 -0.145 0.000 2.119 467 Q HA 0.065 4.407 4.340 0.004 0.000 0.201 467 Q C 0.901 176.882 176.000 -0.031 0.000 0.972 467 Q CA 1.005 56.690 55.803 -0.197 0.000 0.847 467 Q CB -0.166 28.239 28.738 -0.554 0.000 0.903 467 Q HN 0.590 nan 8.270 nan 0.000 0.433 468 G N -0.281 108.545 108.800 0.042 0.000 3.444 468 G HA2 -0.166 3.797 3.960 0.004 0.000 0.685 468 G HA3 -0.166 3.797 3.960 0.004 0.000 0.685 468 G C -0.286 174.758 174.900 0.241 0.000 1.145 468 G CA -0.469 44.692 45.100 0.102 0.000 0.973 468 G HN 0.031 nan 8.290 nan 0.000 0.525 469 Y N 1.172 121.489 120.300 0.029 0.000 2.283 469 Y HA -0.178 4.374 4.550 0.004 0.000 0.285 469 Y C 2.692 178.618 175.900 0.044 0.000 1.176 469 Y CA 2.211 60.334 58.100 0.038 0.000 1.229 469 Y CB -0.228 38.242 38.460 0.016 0.000 0.975 469 Y HN 0.832 nan 8.280 nan 0.000 0.537 470 E N -1.271 119.045 120.200 0.193 0.000 2.268 470 E HA -0.127 4.226 4.350 0.004 0.000 0.195 470 E C 1.939 178.600 176.600 0.101 0.000 0.995 470 E CA 1.418 57.887 56.400 0.116 0.000 0.836 470 E CB -1.011 28.739 29.700 0.084 0.000 0.763 470 E HN 0.482 nan 8.360 nan 0.000 0.491 471 T N -1.375 113.263 114.554 0.139 0.000 3.148 471 T HA 0.122 4.475 4.350 0.004 0.000 0.253 471 T C 0.683 175.450 174.700 0.111 0.000 1.134 471 T CA -0.163 62.026 62.100 0.148 0.000 1.051 471 T CB -0.418 68.596 68.868 0.243 0.000 0.959 471 T HN 0.035 nan 8.240 nan 0.000 0.525 472 I N 4.332 124.950 120.570 0.080 0.000 2.352 472 I HA 0.279 4.451 4.170 0.004 0.000 0.290 472 I C -1.619 174.482 176.117 -0.027 0.000 1.036 472 I CA -2.500 58.797 61.300 -0.005 0.000 1.336 472 I CB 0.949 38.921 38.000 -0.047 0.000 1.407 472 I HN 0.143 nan 8.210 nan 0.000 0.497 473 P HA 0.148 nan 4.420 nan 0.000 0.272 473 P C -0.988 176.286 177.300 -0.043 0.000 1.254 473 P CA -0.411 62.662 63.100 -0.045 0.000 0.795 473 P CB 0.930 32.594 31.700 -0.060 0.000 1.022 474 L N 0.237 121.440 121.223 -0.034 0.000 2.317 474 L HA 0.699 5.041 4.340 0.004 0.000 0.281 474 L C 0.426 177.275 176.870 -0.035 0.000 1.024 474 L CA -0.182 54.639 54.840 -0.032 0.000 0.810 474 L CB 0.951 42.996 42.059 -0.023 0.000 1.240 474 L HN 0.637 nan 8.230 nan 0.000 0.427 475 A N 3.493 126.292 122.820 -0.036 0.000 2.593 475 A HA 0.914 5.236 4.320 0.004 0.000 0.290 475 A C -1.734 175.829 177.584 -0.034 0.000 1.126 475 A CA -0.530 51.486 52.037 -0.035 0.000 0.695 475 A CB 1.422 20.400 19.000 -0.037 0.000 1.290 475 A HN 0.520 nan 8.150 nan 0.000 0.414 476 L N 1.856 123.056 121.223 -0.038 0.000 2.386 476 L HA 0.578 4.920 4.340 0.004 0.000 0.271 476 L C -1.985 174.856 176.870 -0.047 0.000 0.993 476 L CA -1.539 53.273 54.840 -0.047 0.000 0.819 476 L CB 2.172 44.195 42.059 -0.060 0.000 1.294 476 L HN 0.753 nan 8.230 nan 0.000 0.414 477 P HA 0.619 nan 4.420 nan 0.000 0.279 477 P C -1.440 175.779 177.300 -0.136 0.000 1.252 477 P CA -0.468 62.624 63.100 -0.013 0.000 0.811 477 P CB 2.045 33.805 31.700 0.101 0.000 1.035 478 A N 2.008 124.773 122.820 -0.092 0.000 2.398 478 A HA 0.802 5.124 4.320 0.004 0.000 0.301 478 A C -1.075 176.446 177.584 -0.106 0.000 1.041 478 A CA -0.562 51.333 52.037 -0.236 0.000 0.711 478 A CB 0.846 19.749 19.000 -0.161 0.000 1.240 478 A HN 0.610 nan 8.150 nan 0.000 0.420 479 F N -0.907 118.921 119.950 -0.204 0.000 2.765 479 F HA 0.625 5.154 4.527 0.004 0.000 0.313 479 F C -1.970 173.680 175.800 -0.250 0.000 1.136 479 F CA -1.992 55.902 58.000 -0.177 0.000 0.952 479 F CB 0.272 39.247 39.000 -0.041 0.000 1.268 479 F HN 0.329 nan 8.300 nan 0.000 0.441 480 F N 3.823 123.957 119.950 0.307 0.000 2.421 480 F HA 0.515 5.045 4.527 0.004 0.000 0.358 480 F C -1.715 174.279 175.800 0.325 0.000 1.115 480 F CA -1.645 56.476 58.000 0.201 0.000 1.160 480 F CB 0.355 39.421 39.000 0.111 0.000 1.123 480 F HN 0.250 nan 8.300 nan 0.000 0.508 481 P HA 0.124 nan 4.420 nan 0.000 0.269 481 P C -0.600 176.828 177.300 0.214 0.000 1.209 481 P CA -0.383 62.941 63.100 0.373 0.000 0.776 481 P CB 0.727 32.599 31.700 0.287 0.000 0.876 482 A N 4.804 127.697 122.820 0.122 0.000 2.531 482 A HA 0.151 4.474 4.320 0.004 0.000 0.236 482 A C -1.005 176.622 177.584 0.072 0.000 1.062 482 A CA -0.735 51.344 52.037 0.071 0.000 0.760 482 A CB -1.105 17.909 19.000 0.023 0.000 0.995 482 A HN 0.411 nan 8.150 nan 0.000 0.501 483 P HA -0.235 nan 4.420 nan 0.000 0.218 483 P C 0.604 177.929 177.300 0.041 0.000 1.154 483 P CA 2.017 65.145 63.100 0.046 0.000 0.872 483 P CB -0.042 31.676 31.700 0.030 0.000 0.790 484 D N -2.593 117.827 120.400 0.034 0.000 2.324 484 D HA -0.060 4.582 4.640 0.004 0.000 0.235 484 D C 0.912 177.233 176.300 0.034 0.000 1.095 484 D CA 0.342 54.360 54.000 0.029 0.000 0.871 484 D CB -1.135 39.678 40.800 0.021 0.000 0.906 484 D HN 0.127 nan 8.370 nan 0.000 0.522 485 N N 0.185 118.911 118.700 0.045 0.000 2.236 485 N HA 0.016 4.759 4.740 0.004 0.000 0.196 485 N C 0.096 175.636 175.510 0.049 0.000 1.114 485 N CA -0.221 52.858 53.050 0.048 0.000 0.859 485 N CB 0.340 38.866 38.487 0.065 0.000 0.982 485 N HN 0.064 nan 8.380 nan 0.000 0.493 486 R N 0.908 121.436 120.500 0.048 0.000 2.522 486 R HA 0.047 4.390 4.340 0.004 0.000 0.284 486 R C 1.062 177.385 176.300 0.038 0.000 1.032 486 R CA 0.330 56.457 56.100 0.044 0.000 1.049 486 R CB -0.338 29.987 30.300 0.041 0.000 0.956 486 R HN 0.305 nan 8.270 nan 0.000 0.422 487 G N 2.122 110.945 108.800 0.037 0.000 2.309 487 G HA2 -0.306 3.657 3.960 0.004 0.000 0.286 487 G HA3 -0.306 3.657 3.960 0.004 0.000 0.286 487 G C 0.825 175.748 174.900 0.038 0.000 1.002 487 G CA 0.587 45.709 45.100 0.036 0.000 0.786 487 G HN 0.522 nan 8.290 nan 0.000 0.511 488 V N 0.287 120.223 119.914 0.037 0.000 3.078 488 V HA 0.010 4.132 4.120 0.004 0.000 0.265 488 V C 2.312 178.432 176.094 0.043 0.000 1.122 488 V CA 2.584 64.906 62.300 0.037 0.000 1.141 488 V CB -0.009 31.833 31.823 0.031 0.000 0.735 488 V HN 0.843 nan 8.190 nan 0.000 0.498 489 E N -0.606 119.622 120.200 0.048 0.000 2.474 489 E HA 0.168 4.521 4.350 0.004 0.000 0.195 489 E C 1.856 178.518 176.600 0.103 0.000 1.039 489 E CA 0.691 57.133 56.400 0.070 0.000 0.881 489 E CB 0.044 29.774 29.700 0.050 0.000 0.970 489 E HN 0.505 nan 8.360 nan 0.000 0.486 490 A N 2.667 125.531 122.820 0.073 0.000 1.873 490 A HA -0.132 4.190 4.320 0.004 0.000 0.218 490 A C -0.121 177.506 177.584 0.071 0.000 1.193 490 A CA 1.581 53.656 52.037 0.064 0.000 0.629 490 A CB -1.509 17.518 19.000 0.045 0.000 0.826 490 A HN 0.311 nan 8.150 nan 0.000 0.447 491 P HA -0.216 nan 4.420 nan 0.000 0.214 491 P C 1.570 178.917 177.300 0.079 0.000 1.163 491 P CA 1.542 64.681 63.100 0.066 0.000 0.889 491 P CB -0.247 31.495 31.700 0.069 0.000 0.790 492 Y N 0.631 120.935 120.300 0.007 0.000 2.165 492 Y HA -0.237 4.316 4.550 0.005 0.000 0.286 492 Y C 2.384 178.289 175.900 0.007 0.000 1.155 492 Y CA 1.692 59.797 58.100 0.007 0.000 1.164 492 Y CB -0.423 38.043 38.460 0.010 0.000 0.978 492 Y HN -0.232 nan 8.280 nan 0.000 0.513 493 R N 0.190 120.776 120.500 0.143 0.000 2.081 493 R HA -0.171 4.171 4.340 0.004 0.000 0.235 493 R C 2.410 178.688 176.300 -0.038 0.000 1.131 493 R CA 1.663 57.798 56.100 0.057 0.000 0.960 493 R CB -0.300 30.056 30.300 0.094 0.000 0.856 493 R HN 0.295 nan 8.270 nan 0.000 0.436 494 K N 1.156 121.543 120.400 -0.023 0.000 2.020 494 K HA -0.248 4.074 4.320 0.004 0.000 0.212 494 K C 2.035 178.585 176.600 -0.084 0.000 1.050 494 K CA 1.893 58.157 56.287 -0.039 0.000 0.929 494 K CB -0.045 32.446 32.500 -0.016 0.000 0.714 494 K HN 0.145 nan 8.250 nan 0.000 0.443 495 E N -0.307 119.821 120.200 -0.120 0.000 2.077 495 E HA -0.207 4.146 4.350 0.004 0.000 0.193 495 E C 2.046 178.540 176.600 -0.177 0.000 0.989 495 E CA 1.023 57.334 56.400 -0.148 0.000 0.800 495 E CB 0.168 29.766 29.700 -0.169 0.000 0.746 495 E HN 0.324 nan 8.360 nan 0.000 0.452 496 Q N 0.212 119.857 119.800 -0.260 0.000 2.167 496 Q HA -0.153 4.190 4.340 0.004 0.000 0.202 496 Q C 2.107 178.042 176.000 -0.109 0.000 0.970 496 Q CA 1.058 56.736 55.803 -0.209 0.000 0.855 496 Q CB -0.340 28.238 28.738 -0.268 0.000 0.911 496 Q HN 0.132 nan 8.270 nan 0.000 0.438 497 R N 0.532 120.974 120.500 -0.098 0.000 2.075 497 R HA -0.109 4.234 4.340 0.004 0.000 0.232 497 R C 2.153 178.390 176.300 -0.104 0.000 1.126 497 R CA 0.708 56.762 56.100 -0.076 0.000 0.963 497 R CB -0.566 29.697 30.300 -0.062 0.000 0.858 497 R HN 0.213 nan 8.270 nan 0.000 0.435 498 L N 0.981 122.129 121.223 -0.125 0.000 2.012 498 L HA -0.170 4.173 4.340 0.004 0.000 0.210 498 L C 1.901 178.646 176.870 -0.209 0.000 1.073 498 L CA 1.861 56.596 54.840 -0.176 0.000 0.748 498 L CB -0.462 41.500 42.059 -0.162 0.000 0.891 498 L HN 0.128 nan 8.230 nan 0.000 0.431 499 R N -0.354 120.077 120.500 -0.115 0.000 2.083 499 R HA -0.168 4.175 4.340 0.004 0.000 0.237 499 R C 2.111 178.364 176.300 -0.078 0.000 1.137 499 R CA 1.818 57.900 56.100 -0.031 0.000 0.951 499 R CB -0.542 29.846 30.300 0.147 0.000 0.851 499 R HN 0.569 nan 8.270 nan 0.000 0.434 500 E N 0.368 120.535 120.200 -0.055 0.000 2.077 500 E HA -0.156 4.197 4.350 0.004 0.000 0.193 500 E C 2.136 178.685 176.600 -0.086 0.000 0.989 500 E CA 1.396 57.772 56.400 -0.040 0.000 0.800 500 E CB -0.086 29.597 29.700 -0.028 0.000 0.746 500 E HN 0.103 nan 8.360 nan 0.000 0.452 501 V N 1.729 121.563 119.914 -0.134 0.000 2.295 501 V HA -0.263 3.860 4.120 0.004 0.000 0.246 501 V C 2.391 178.365 176.094 -0.199 0.000 1.049 501 V CA 1.507 63.718 62.300 -0.149 0.000 1.024 501 V CB -0.496 31.220 31.823 -0.178 0.000 0.648 501 V HN 0.254 nan 8.190 nan 0.000 0.447 502 L N 0.915 121.916 121.223 -0.369 0.000 2.043 502 L HA -0.215 4.127 4.340 0.004 0.000 0.212 502 L C 2.716 179.420 176.870 -0.276 0.000 1.075 502 L CA 2.058 56.562 54.840 -0.560 0.000 0.752 502 L CB -0.761 40.526 42.059 -1.286 0.000 0.891 502 L HN 0.587 nan 8.230 nan 0.000 0.432 503 S N -0.682 114.915 115.700 -0.171 0.000 2.423 503 S HA -0.081 4.391 4.470 0.004 0.000 0.231 503 S C 1.949 176.573 174.600 0.039 0.000 1.014 503 S CA 0.865 59.090 58.200 0.043 0.000 0.965 503 S CB -0.608 62.658 63.200 0.109 0.000 0.785 503 S HN 0.439 nan 8.310 nan 0.000 0.495 504 G N 1.214 110.015 108.800 0.002 0.000 2.426 504 G HA2 0.147 4.109 3.960 0.004 0.000 0.214 504 G HA3 0.147 4.109 3.960 0.004 0.000 0.214 504 G C 1.319 176.246 174.900 0.045 0.000 1.156 504 G CA 0.286 45.397 45.100 0.018 0.000 0.802 504 G HN 0.442 nan 8.290 nan 0.000 0.534 505 L N -0.090 121.167 121.223 0.056 0.000 2.191 505 L HA 0.105 4.448 4.340 0.004 0.000 0.212 505 L C 2.002 178.992 176.870 0.199 0.000 1.103 505 L CA 1.699 56.627 54.840 0.146 0.000 0.769 505 L CB 0.029 42.199 42.059 0.184 0.000 0.908 505 L HN 0.432 nan 8.230 nan 0.000 0.438 506 G N -2.280 106.589 108.800 0.116 0.000 2.738 506 G HA2 -0.179 3.783 3.960 0.004 0.000 0.195 506 G HA3 -0.179 3.783 3.960 0.004 0.000 0.195 506 G C 0.035 174.857 174.900 -0.130 0.000 1.001 506 G CA -0.478 44.602 45.100 -0.035 0.000 0.759 506 G HN 0.098 nan 8.290 nan 0.000 0.494 507 F N 1.671 121.527 119.950 -0.157 0.000 2.471 507 F HA 0.626 5.156 4.527 0.005 0.000 0.353 507 F C 0.755 176.668 175.800 0.189 0.000 1.113 507 F CA -0.264 57.717 58.000 -0.032 0.000 1.262 507 F CB 1.235 40.184 39.000 -0.084 0.000 1.146 507 F HN 0.092 nan 8.300 nan 0.000 0.578 508 Q N 2.797 122.837 119.800 0.400 0.000 2.314 508 Q HA 0.206 4.548 4.340 0.004 0.000 0.259 508 Q C -0.610 175.521 176.000 0.220 0.000 0.951 508 Q CA -0.530 55.443 55.803 0.284 0.000 0.909 508 Q CB 1.109 29.917 28.738 0.117 0.000 1.236 508 Q HN 0.651 nan 8.270 nan 0.000 0.444 509 E N 2.306 122.526 120.200 0.034 0.000 2.383 509 E HA 0.423 4.775 4.350 0.004 0.000 0.264 509 E C -1.148 175.288 176.600 -0.273 0.000 1.050 509 E CA -0.426 55.639 56.400 -0.558 0.000 0.896 509 E CB 0.745 30.158 29.700 -0.478 0.000 0.982 509 E HN 0.497 nan 8.360 nan 0.000 0.424 510 V N 3.866 123.606 119.914 -0.290 0.000 2.925 510 V HA 0.307 4.430 4.120 0.004 0.000 0.311 510 V C -1.427 174.699 176.094 0.053 0.000 1.104 510 V CA -0.840 61.400 62.300 -0.101 0.000 0.954 510 V CB 1.688 33.447 31.823 -0.106 0.000 1.022 510 V HN 0.605 nan 8.190 nan 0.000 0.427 511 Y N 1.144 121.311 120.300 -0.222 0.000 2.331 511 Y HA 0.693 5.245 4.550 0.004 0.000 0.334 511 Y C 0.400 176.150 175.900 -0.250 0.000 0.960 511 Y CA -0.698 57.269 58.100 -0.222 0.000 1.130 511 Y CB 2.283 40.623 38.460 -0.200 0.000 1.164 511 Y HN 0.637 nan 8.280 nan 0.000 0.458 512 T N 3.381 117.842 114.554 -0.154 0.000 2.887 512 T HA 0.383 4.735 4.350 0.004 0.000 0.288 512 T C -0.869 173.724 174.700 -0.178 0.000 1.021 512 T CA -0.789 61.197 62.100 -0.191 0.000 1.000 512 T CB 0.737 69.529 68.868 -0.128 0.000 1.034 512 T HN 0.166 nan 8.240 nan 0.000 0.467 513 Y N 1.127 121.398 120.300 -0.048 0.000 2.683 513 Y HA 0.016 4.569 4.550 0.004 0.000 0.340 513 Y C 2.056 177.863 175.900 -0.156 0.000 1.245 513 Y CA 0.055 58.099 58.100 -0.094 0.000 1.485 513 Y CB 0.199 38.666 38.460 0.011 0.000 1.328 513 Y HN 0.657 nan 8.280 nan 0.000 0.603 514 S N 1.196 116.827 115.700 -0.114 0.000 2.561 514 S HA 0.032 4.504 4.470 0.004 0.000 0.225 514 S C -0.018 174.507 174.600 -0.125 0.000 0.977 514 S CA 0.066 58.189 58.200 -0.129 0.000 0.926 514 S CB -0.386 62.723 63.200 -0.151 0.000 0.769 514 S HN 0.317 nan 8.310 nan 0.000 0.533 515 F N 1.606 121.597 119.950 0.068 0.000 2.410 515 F HA 0.511 5.041 4.527 0.004 0.000 0.334 515 F C 0.266 176.066 175.800 0.001 0.000 1.134 515 F CA -1.029 56.969 58.000 -0.003 0.000 1.227 515 F CB 0.353 39.319 39.000 -0.056 0.000 1.194 515 F HN 0.030 nan 8.300 nan 0.000 0.571 516 M N 1.926 121.646 119.600 0.201 0.000 2.550 516 M HA 0.324 4.806 4.480 0.004 0.000 0.292 516 M C -1.682 174.649 176.300 0.052 0.000 1.221 516 M CA -0.811 54.535 55.300 0.077 0.000 0.873 516 M CB 2.124 34.748 32.600 0.039 0.000 1.727 516 M HN 0.532 nan 8.290 nan 0.000 0.459 517 D N 4.104 124.521 120.400 0.028 0.000 2.316 517 D HA 0.281 4.924 4.640 0.004 0.000 0.245 517 D C -2.056 174.263 176.300 0.031 0.000 1.171 517 D CA -1.624 52.392 54.000 0.026 0.000 0.856 517 D CB 1.756 42.582 40.800 0.042 0.000 1.090 517 D HN 0.338 nan 8.370 nan 0.000 0.476 518 P HA -0.178 nan 4.420 nan 0.000 0.217 518 P C 0.928 178.252 177.300 0.040 0.000 1.151 518 P CA 1.038 64.153 63.100 0.026 0.000 0.849 518 P CB 0.400 32.107 31.700 0.011 0.000 0.787 519 E N -0.642 119.583 120.200 0.042 0.000 2.268 519 E HA -0.151 4.201 4.350 0.004 0.000 0.195 519 E C 1.399 178.052 176.600 0.090 0.000 0.995 519 E CA 0.910 57.341 56.400 0.052 0.000 0.836 519 E CB -0.836 28.889 29.700 0.041 0.000 0.763 519 E HN 0.178 nan 8.360 nan 0.000 0.491 520 D N -0.622 119.852 120.400 0.124 0.000 2.312 520 D HA -0.041 4.601 4.640 0.004 0.000 0.211 520 D C 1.491 177.933 176.300 0.237 0.000 0.964 520 D CA 0.874 55.025 54.000 0.253 0.000 0.877 520 D CB 0.013 40.944 40.800 0.217 0.000 0.924 520 D HN 0.274 nan 8.370 nan 0.000 0.515 521 A N 0.801 123.695 122.820 0.123 0.000 2.019 521 A HA -0.180 4.143 4.320 0.004 0.000 0.219 521 A C 2.151 179.805 177.584 0.117 0.000 1.164 521 A CA 1.152 53.253 52.037 0.106 0.000 0.644 521 A CB -0.254 18.793 19.000 0.079 0.000 0.805 521 A HN 0.126 nan 8.150 nan 0.000 0.449 522 R N -0.754 119.806 120.500 0.099 0.000 2.055 522 R HA 0.041 4.383 4.340 0.004 0.000 0.221 522 R C 2.305 178.631 176.300 0.044 0.000 1.154 522 R CA 0.562 56.698 56.100 0.061 0.000 0.975 522 R CB -0.288 30.032 30.300 0.035 0.000 0.869 522 R HN 0.406 nan 8.270 nan 0.000 0.437 523 R N -0.439 120.081 120.500 0.034 0.000 2.133 523 R HA -0.167 4.176 4.340 0.004 0.000 0.247 523 R C 1.572 177.721 176.300 -0.252 0.000 1.151 523 R CA 1.660 57.690 56.100 -0.116 0.000 0.971 523 R CB -0.276 29.932 30.300 -0.153 0.000 0.866 523 R HN 0.278 nan 8.270 nan 0.000 0.447 524 F N 0.181 120.153 119.950 0.036 0.000 2.664 524 F HA 0.249 4.779 4.527 0.004 0.000 0.303 524 F C 0.095 175.988 175.800 0.154 0.000 1.092 524 F CA -0.432 57.626 58.000 0.097 0.000 1.305 524 F CB 0.257 39.266 39.000 0.015 0.000 1.054 524 F HN -0.197 nan 8.300 nan 0.000 0.565 525 R N 1.313 121.933 120.500 0.200 0.000 2.730 525 R HA -0.120 4.223 4.340 0.004 0.000 0.290 525 R C -1.573 174.869 176.300 0.237 0.000 0.964 525 R CA 0.351 56.546 56.100 0.158 0.000 0.782 525 R CB -2.288 28.064 30.300 0.086 0.000 2.060 525 R HN 0.375 nan 8.270 nan 0.000 0.503 526 L N -2.658 118.673 121.223 0.179 0.000 2.724 526 L HA 0.524 4.866 4.340 0.004 0.000 0.258 526 L C -0.682 176.278 176.870 0.150 0.000 0.967 526 L CA -1.268 53.683 54.840 0.185 0.000 0.891 526 L CB 0.938 43.052 42.059 0.092 0.000 1.456 526 L HN -0.089 nan 8.230 nan 0.000 0.416 527 D N 2.488 122.994 120.400 0.177 0.000 2.548 527 D HA 0.137 4.779 4.640 0.004 0.000 0.231 527 D C -2.150 174.229 176.300 0.130 0.000 1.142 527 D CA 0.012 54.100 54.000 0.146 0.000 0.866 527 D CB 0.245 41.143 40.800 0.163 0.000 1.190 527 D HN 0.592 nan 8.370 nan 0.000 0.469 528 P HA 0.114 nan 4.420 nan 0.000 0.270 528 P C -2.438 174.914 177.300 0.088 0.000 1.223 528 P CA -0.973 62.176 63.100 0.082 0.000 0.785 528 P CB -0.316 31.421 31.700 0.062 0.000 0.923 529 P HA 0.140 nan 4.420 nan 0.000 0.271 529 P C 0.627 177.967 177.300 0.066 0.000 1.216 529 P CA -0.056 63.092 63.100 0.080 0.000 0.776 529 P CB 1.022 32.762 31.700 0.066 0.000 0.881 530 R N 2.350 122.894 120.500 0.074 0.000 2.200 530 R HA 0.135 4.477 4.340 0.004 0.000 0.208 530 R C 0.357 176.681 176.300 0.040 0.000 1.033 530 R CA 0.498 56.634 56.100 0.060 0.000 1.000 530 R CB 0.027 30.369 30.300 0.070 0.000 0.906 530 R HN 0.465 nan 8.270 nan 0.000 0.462 531 L N 2.127 123.369 121.223 0.031 0.000 2.341 531 L HA 0.420 4.763 4.340 0.004 0.000 0.278 531 L C -1.190 175.667 176.870 -0.022 0.000 1.005 531 L CA -1.069 53.764 54.840 -0.011 0.000 0.818 531 L CB 1.879 43.900 42.059 -0.063 0.000 1.259 531 L HN -0.009 nan 8.230 nan 0.000 0.418 532 L N 3.232 124.441 121.223 -0.024 0.000 2.301 532 L HA 0.570 4.913 4.340 0.004 0.000 0.264 532 L C -0.624 176.225 176.870 -0.035 0.000 1.016 532 L CA -0.449 54.377 54.840 -0.023 0.000 0.821 532 L CB 1.889 43.939 42.059 -0.016 0.000 1.346 532 L HN 0.316 nan 8.230 nan 0.000 0.429 533 L N 1.677 122.874 121.223 -0.044 0.000 2.282 533 L HA 0.361 4.704 4.340 0.004 0.000 0.288 533 L C 1.024 177.860 176.870 -0.057 0.000 1.033 533 L CA 0.146 54.953 54.840 -0.054 0.000 0.807 533 L CB 1.072 43.077 42.059 -0.089 0.000 1.209 533 L HN 0.507 nan 8.230 nan 0.000 0.423 534 L N 2.370 123.567 121.223 -0.044 0.000 2.141 534 L HA -0.080 4.262 4.340 0.004 0.000 0.209 534 L C 0.547 177.387 176.870 -0.050 0.000 1.094 534 L CA 0.832 55.649 54.840 -0.039 0.000 0.763 534 L CB -0.295 41.747 42.059 -0.028 0.000 0.908 534 L HN 0.826 nan 8.230 nan 0.000 0.437 535 N N -0.275 118.389 118.700 -0.060 0.000 2.844 535 N HA 0.260 5.003 4.740 0.004 0.000 0.268 535 N C -2.668 172.774 175.510 -0.113 0.000 1.574 535 N CA -1.267 51.740 53.050 -0.071 0.000 0.838 535 N CB 0.073 38.530 38.487 -0.051 0.000 1.177 535 N HN 0.035 nan 8.380 nan 0.000 0.495 536 P HA 0.165 nan 4.420 nan 0.000 0.272 536 P C 0.980 178.131 177.300 -0.249 0.000 1.240 536 P CA -0.542 62.406 63.100 -0.254 0.000 0.791 536 P CB 1.911 33.467 31.700 -0.239 0.000 0.978 537 L N -0.358 120.648 121.223 -0.362 0.000 2.240 537 L HA 0.164 4.507 4.340 0.004 0.000 0.211 537 L C 1.201 177.947 176.870 -0.207 0.000 1.106 537 L CA 0.974 55.652 54.840 -0.271 0.000 0.793 537 L CB -0.278 41.581 42.059 -0.333 0.000 0.927 537 L HN 0.550 nan 8.230 nan 0.000 0.446 538 A N -1.632 121.052 122.820 -0.226 0.000 2.567 538 A HA 0.429 4.751 4.320 0.004 0.000 0.291 538 A C -2.247 175.248 177.584 -0.149 0.000 1.048 538 A CA -0.680 51.266 52.037 -0.153 0.000 0.661 538 A CB 0.250 19.173 19.000 -0.128 0.000 1.288 538 A HN -0.212 nan 8.150 nan 0.000 0.424 539 P HA -0.093 nan 4.420 nan 0.000 0.222 539 P C 0.530 177.788 177.300 -0.070 0.000 1.147 539 P CA 1.353 64.405 63.100 -0.079 0.000 0.790 539 P CB 0.286 31.956 31.700 -0.051 0.000 0.780 540 E N 0.183 120.342 120.200 -0.068 0.000 2.478 540 E HA -0.042 4.311 4.350 0.004 0.000 0.198 540 E C 0.793 177.360 176.600 -0.055 0.000 1.046 540 E CA 0.818 57.193 56.400 -0.041 0.000 0.870 540 E CB -0.285 29.401 29.700 -0.022 0.000 0.818 540 E HN 0.371 nan 8.360 nan 0.000 0.527 541 K N -0.796 119.520 120.400 -0.140 0.000 2.972 541 K HA 0.379 4.702 4.320 0.004 0.000 0.209 541 K C 0.391 176.802 176.600 -0.315 0.000 1.128 541 K CA 0.078 56.228 56.287 -0.229 0.000 1.024 541 K CB 1.353 33.569 32.500 -0.473 0.000 0.754 541 K HN -0.022 nan 8.250 nan 0.000 0.454 542 A N 0.667 123.390 122.820 -0.162 0.000 2.208 542 A HA 0.383 4.706 4.320 0.004 0.000 0.209 542 A C 0.827 178.372 177.584 -0.065 0.000 1.161 542 A CA 0.548 52.505 52.037 -0.134 0.000 0.782 542 A CB 0.140 19.087 19.000 -0.090 0.000 0.816 542 A HN 0.339 nan 8.150 nan 0.000 0.477 543 A N -0.956 121.858 122.820 -0.010 0.000 2.486 543 A HA 0.753 5.075 4.320 0.004 0.000 0.289 543 A C -0.885 176.756 177.584 0.096 0.000 1.176 543 A CA -0.594 51.461 52.037 0.030 0.000 0.757 543 A CB 0.766 19.783 19.000 0.027 0.000 1.337 543 A HN 0.206 nan 8.150 nan 0.000 0.423 544 L N 1.654 122.903 121.223 0.043 0.000 2.295 544 L HA 0.445 4.787 4.340 0.004 0.000 0.285 544 L C 0.760 177.712 176.870 0.138 0.000 1.035 544 L CA -0.840 54.015 54.840 0.024 0.000 0.806 544 L CB 1.403 43.281 42.059 -0.301 0.000 1.214 544 L HN 0.969 nan 8.230 nan 0.000 0.426 545 R N 0.540 121.139 120.500 0.164 0.000 2.638 545 R HA 0.006 4.349 4.340 0.004 0.000 0.268 545 R C 0.450 176.811 176.300 0.101 0.000 1.006 545 R CA 0.549 56.708 56.100 0.097 0.000 1.088 545 R CB 0.022 30.335 30.300 0.021 0.000 0.950 545 R HN 0.780 nan 8.270 nan 0.000 0.419 546 T N -1.906 112.681 114.554 0.055 0.000 2.990 546 T HA 0.139 4.492 4.350 0.004 0.000 0.249 546 T C 0.024 174.633 174.700 -0.153 0.000 1.039 546 T CA 0.003 62.122 62.100 0.031 0.000 1.036 546 T CB 0.000 68.993 68.868 0.208 0.000 0.994 546 T HN 0.757 nan 8.240 nan 0.000 0.489 547 H N -1.156 117.816 119.070 -0.163 0.000 2.894 547 H HA 0.682 5.240 4.556 0.004 0.000 0.368 547 H C -0.081 175.099 175.328 -0.247 0.000 1.181 547 H CA -1.050 54.898 56.048 -0.166 0.000 1.146 547 H CB 1.649 31.225 29.762 -0.310 0.000 1.839 547 H HN -0.106 nan 8.280 nan 0.000 0.557 548 L N 0.522 121.729 121.223 -0.026 0.000 2.316 548 L HA 0.065 4.408 4.340 0.004 0.000 0.207 548 L C 1.853 178.644 176.870 -0.132 0.000 1.070 548 L CA 0.761 55.543 54.840 -0.096 0.000 0.820 548 L CB -0.619 41.414 42.059 -0.043 0.000 0.992 548 L HN 0.695 nan 8.230 nan 0.000 0.466 549 F N 0.291 120.194 119.950 -0.077 0.000 2.161 549 F HA -0.039 4.491 4.527 0.005 0.000 0.300 549 F C -0.662 175.041 175.800 -0.161 0.000 1.089 549 F CA 0.646 58.590 58.000 -0.094 0.000 1.282 549 F CB -2.622 36.371 39.000 -0.011 0.000 1.010 549 F HN 0.103 nan 8.300 nan 0.000 0.485 550 P HA -0.098 nan 4.420 nan 0.000 0.215 550 P C 2.054 178.995 177.300 -0.598 0.000 1.157 550 P CA 2.537 64.907 63.100 -1.217 0.000 0.874 550 P CB -0.507 30.245 31.700 -1.580 0.000 0.790 551 G N -0.491 108.065 108.800 -0.407 0.000 2.422 551 G HA2 -0.217 3.746 3.960 0.004 0.000 0.218 551 G HA3 -0.217 3.746 3.960 0.004 0.000 0.218 551 G C 1.525 176.360 174.900 -0.109 0.000 1.146 551 G CA 0.441 45.417 45.100 -0.206 0.000 0.769 551 G HN 0.217 nan 8.290 nan 0.000 0.547 552 L N 0.212 121.386 121.223 -0.083 0.000 2.046 552 L HA -0.101 4.241 4.340 0.004 0.000 0.208 552 L C 3.018 179.904 176.870 0.027 0.000 1.077 552 L CA 0.567 55.397 54.840 -0.017 0.000 0.747 552 L CB -0.411 41.657 42.059 0.014 0.000 0.896 552 L HN 0.109 nan 8.230 nan 0.000 0.432 553 V N -0.263 119.697 119.914 0.077 0.000 2.295 553 V HA -0.281 3.842 4.120 0.004 0.000 0.246 553 V C 2.510 178.661 176.094 0.094 0.000 1.049 553 V CA 1.717 64.100 62.300 0.139 0.000 1.024 553 V CB -0.652 31.372 31.823 0.335 0.000 0.648 553 V HN 0.418 nan 8.190 nan 0.000 0.447 554 R N -0.459 120.094 120.500 0.088 0.000 2.193 554 R HA -0.102 4.241 4.340 0.004 0.000 0.229 554 R C 2.121 178.437 176.300 0.027 0.000 1.110 554 R CA 1.099 57.245 56.100 0.077 0.000 0.988 554 R CB -0.392 29.946 30.300 0.063 0.000 0.871 554 R HN 0.425 nan 8.270 nan 0.000 0.458 555 V N 0.948 120.865 119.914 0.004 0.000 2.407 555 V HA -0.187 3.936 4.120 0.004 0.000 0.245 555 V C 2.088 178.170 176.094 -0.019 0.000 1.041 555 V CA 1.152 63.446 62.300 -0.010 0.000 1.040 555 V CB -0.342 31.468 31.823 -0.021 0.000 0.671 555 V HN 0.226 nan 8.190 nan 0.000 0.455 556 L N 0.705 121.909 121.223 -0.033 0.000 2.012 556 L HA -0.182 4.161 4.340 0.004 0.000 0.210 556 L C 2.371 179.169 176.870 -0.120 0.000 1.073 556 L CA 2.257 57.039 54.840 -0.096 0.000 0.748 556 L CB -0.845 41.116 42.059 -0.163 0.000 0.891 556 L HN 0.265 nan 8.230 nan 0.000 0.431 557 K N -0.369 119.985 120.400 -0.078 0.000 2.002 557 K HA -0.213 4.109 4.320 0.004 0.000 0.209 557 K C 1.959 178.542 176.600 -0.028 0.000 1.048 557 K CA 1.972 58.224 56.287 -0.058 0.000 0.930 557 K CB -0.222 32.271 32.500 -0.012 0.000 0.714 557 K HN 0.499 nan 8.250 nan 0.000 0.438 558 E N 0.246 120.441 120.200 -0.008 0.000 2.160 558 E HA -0.189 4.163 4.350 0.004 0.000 0.195 558 E C 1.931 178.531 176.600 0.000 0.000 0.991 558 E CA 0.959 57.361 56.400 0.003 0.000 0.810 558 E CB -0.053 29.654 29.700 0.011 0.000 0.742 558 E HN 0.355 nan 8.360 nan 0.000 0.466 559 N N 0.678 119.373 118.700 -0.009 0.000 2.109 559 N HA -0.084 4.658 4.740 0.004 0.000 0.188 559 N C 1.976 177.491 175.510 0.009 0.000 1.034 559 N CA 0.800 53.851 53.050 0.002 0.000 0.846 559 N CB -0.138 38.352 38.487 0.004 0.000 1.010 559 N HN 0.149 nan 8.380 nan 0.000 0.425 560 L N 1.010 122.226 121.223 -0.011 0.000 2.261 560 L HA -0.184 4.159 4.340 0.004 0.000 0.216 560 L C 1.396 178.277 176.870 0.019 0.000 1.114 560 L CA 0.978 55.823 54.840 0.007 0.000 0.777 560 L CB -0.271 41.762 42.059 -0.044 0.000 0.910 560 L HN 0.042 nan 8.230 nan 0.000 0.440 561 D N -0.410 119.996 120.400 0.010 0.000 2.149 561 D HA -0.071 4.572 4.640 0.004 0.000 0.206 561 D C 2.279 178.591 176.300 0.020 0.000 0.967 561 D CA 0.813 54.822 54.000 0.016 0.000 0.848 561 D CB 0.012 40.819 40.800 0.012 0.000 0.998 561 D HN 0.141 nan 8.370 nan 0.000 0.474 562 L N 0.203 121.437 121.223 0.019 0.000 2.023 562 L HA -0.019 4.323 4.340 0.004 0.000 0.205 562 L C 0.226 177.110 176.870 0.024 0.000 1.073 562 L CA 1.088 55.940 54.840 0.020 0.000 0.745 562 L CB 0.165 42.234 42.059 0.017 0.000 0.900 562 L HN 0.007 nan 8.230 nan 0.000 0.435 563 D N -1.651 118.766 120.400 0.028 0.000 2.467 563 D HA 0.310 4.953 4.640 0.004 0.000 0.245 563 D C -0.463 175.866 176.300 0.048 0.000 1.038 563 D CA -0.523 53.498 54.000 0.035 0.000 1.038 563 D CB 1.264 42.084 40.800 0.034 0.000 1.278 563 D HN -0.178 nan 8.370 nan 0.000 0.564 564 R N 0.184 120.719 120.500 0.058 0.000 3.220 564 R HA 0.323 4.666 4.340 0.004 0.000 0.324 564 R C -2.402 173.962 176.300 0.106 0.000 1.283 564 R CA -1.386 54.763 56.100 0.081 0.000 1.387 564 R CB -0.042 30.299 30.300 0.070 0.000 1.413 564 R HN 0.095 nan 8.270 nan 0.000 0.610 565 P HA -0.062 nan 4.420 nan 0.000 0.260 565 P C 0.112 177.525 177.300 0.189 0.000 1.172 565 P CA 0.375 63.561 63.100 0.144 0.000 0.760 565 P CB 0.762 32.562 31.700 0.167 0.000 0.773 566 E N 2.491 122.742 120.200 0.086 0.000 2.427 566 E HA -0.083 4.269 4.350 0.004 0.000 0.196 566 E C 0.824 177.335 176.600 -0.148 0.000 1.028 566 E CA 0.531 56.933 56.400 0.004 0.000 0.864 566 E CB 0.131 29.820 29.700 -0.018 0.000 0.813 566 E HN 0.507 nan 8.360 nan 0.000 0.514 567 R N -1.547 118.924 120.500 -0.048 0.000 2.835 567 R HA 0.733 5.075 4.340 0.004 0.000 0.271 567 R C -1.799 174.582 176.300 0.135 0.000 1.013 567 R CA -0.847 55.176 56.100 -0.127 0.000 0.876 567 R CB 0.961 31.169 30.300 -0.152 0.000 1.348 567 R HN -0.066 nan 8.270 nan 0.000 0.453 568 A N 0.168 123.066 122.820 0.130 0.000 2.596 568 A HA 0.494 4.816 4.320 0.004 0.000 0.305 568 A C -2.230 175.395 177.584 0.068 0.000 1.032 568 A CA -0.608 51.506 52.037 0.128 0.000 0.776 568 A CB 1.724 20.851 19.000 0.211 0.000 1.253 568 A HN 0.605 nan 8.150 nan 0.000 0.402 569 L N 3.270 124.477 121.223 -0.026 0.000 2.401 569 L HA 0.711 5.054 4.340 0.004 0.000 0.263 569 L C -1.167 175.693 176.870 -0.015 0.000 1.004 569 L CA -0.115 54.640 54.840 -0.142 0.000 0.881 569 L CB 0.520 42.295 42.059 -0.473 0.000 1.219 569 L HN 0.654 nan 8.230 nan 0.000 0.441 570 L N 3.708 125.005 121.223 0.123 0.000 2.331 570 L HA 0.740 5.082 4.340 0.004 0.000 0.268 570 L C -0.624 176.488 176.870 0.404 0.000 1.015 570 L CA -0.942 54.022 54.840 0.208 0.000 0.807 570 L CB 1.622 43.740 42.059 0.098 0.000 1.293 570 L HN 0.589 nan 8.230 nan 0.000 0.451 571 F N -0.597 119.427 119.950 0.123 0.000 2.678 571 F HA 0.712 5.242 4.527 0.004 0.000 0.308 571 F C -1.225 174.563 175.800 -0.020 0.000 1.118 571 F CA -0.663 57.357 58.000 0.035 0.000 0.959 571 F CB 1.654 40.667 39.000 0.023 0.000 1.305 571 F HN 0.576 nan 8.300 nan 0.000 0.443 572 E N 2.686 122.742 120.200 -0.239 0.000 2.352 572 E HA 0.671 5.023 4.350 0.004 0.000 0.280 572 E C -2.365 174.134 176.600 -0.169 0.000 0.930 572 E CA -0.905 55.273 56.400 -0.370 0.000 0.765 572 E CB 2.804 32.349 29.700 -0.258 0.000 1.219 572 E HN 0.718 nan 8.360 nan 0.000 0.434 573 V N 2.546 122.338 119.914 -0.203 0.000 2.540 573 V HA 0.909 5.032 4.120 0.004 0.000 0.302 573 V C 0.237 176.196 176.094 -0.224 0.000 1.035 573 V CA 0.214 62.441 62.300 -0.120 0.000 0.873 573 V CB 1.461 33.261 31.823 -0.039 0.000 0.992 573 V HN 0.815 nan 8.190 nan 0.000 0.428 574 G N 3.462 112.151 108.800 -0.186 0.000 2.576 574 G HA2 0.595 4.558 3.960 0.004 0.000 0.290 574 G HA3 0.595 4.558 3.960 0.004 0.000 0.290 574 G C -1.753 172.997 174.900 -0.250 0.000 1.442 574 G CA -1.065 43.893 45.100 -0.237 0.000 0.792 574 G HN 0.454 nan 8.290 nan 0.000 0.491 575 R N -0.708 119.612 120.500 -0.299 0.000 2.340 575 R HA 0.642 4.985 4.340 0.004 0.000 0.300 575 R C -0.070 175.772 176.300 -0.763 0.000 1.069 575 R CA -0.262 55.548 56.100 -0.484 0.000 0.984 575 R CB 1.292 31.335 30.300 -0.428 0.000 1.003 575 R HN 0.328 nan 8.270 nan 0.000 0.459 576 V N 4.577 123.931 119.914 -0.933 0.000 2.815 576 V HA 0.561 4.683 4.120 0.004 0.000 0.314 576 V C -1.005 174.440 176.094 -1.083 0.000 1.064 576 V CA -0.665 61.096 62.300 -0.899 0.000 0.952 576 V CB 1.664 32.959 31.823 -0.878 0.000 1.020 576 V HN 0.528 nan 8.190 nan 0.000 0.439 577 F N 3.563 123.412 119.950 -0.168 0.000 2.477 577 F HA 0.788 5.318 4.527 0.004 0.000 0.335 577 F C 0.240 175.999 175.800 -0.069 0.000 1.130 577 F CA -0.825 57.116 58.000 -0.099 0.000 0.948 577 F CB 1.528 40.490 39.000 -0.064 0.000 1.154 577 F HN 0.471 nan 8.300 nan 0.000 0.439 578 R N 2.107 122.651 120.500 0.075 0.000 3.154 578 R HA 0.395 4.737 4.340 0.004 0.000 0.260 578 R C -0.214 176.121 176.300 0.057 0.000 1.515 578 R CA -0.516 55.623 56.100 0.065 0.000 0.997 578 R CB 0.713 31.031 30.300 0.031 0.000 1.437 578 R HN 0.727 nan 8.270 nan 0.000 0.398 579 E N 1.233 121.475 120.200 0.069 0.000 4.851 579 E HA -0.312 4.041 4.350 0.004 0.000 0.236 579 E C -0.756 175.876 176.600 0.053 0.000 0.875 579 E CA 2.032 58.467 56.400 0.058 0.000 1.939 579 E CB -0.331 29.402 29.700 0.054 0.000 1.780 579 E HN 0.736 nan 8.360 nan 0.000 0.453 580 R N 0.295 120.823 120.500 0.046 0.000 2.629 580 R HA 0.292 4.635 4.340 0.004 0.000 0.266 580 R C -1.735 174.564 176.300 -0.001 0.000 1.051 580 R CA -0.143 55.978 56.100 0.034 0.000 0.895 580 R CB 1.531 31.845 30.300 0.023 0.000 1.246 580 R HN 0.212 nan 8.270 nan 0.000 0.459 581 E N 2.901 123.100 120.200 -0.002 0.000 2.290 581 E HA 0.072 4.424 4.350 0.004 0.000 0.277 581 E C -1.051 175.452 176.600 -0.162 0.000 1.035 581 E CA -0.058 56.268 56.400 -0.123 0.000 0.873 581 E CB 0.768 30.451 29.700 -0.027 0.000 1.029 581 E HN 0.520 nan 8.360 nan 0.000 0.419 582 E N 2.345 122.379 120.200 -0.275 0.000 2.393 582 E HA 0.398 4.751 4.350 0.004 0.000 0.273 582 E C -1.168 175.298 176.600 -0.223 0.000 0.918 582 E CA -1.029 55.269 56.400 -0.169 0.000 0.773 582 E CB 1.590 31.256 29.700 -0.057 0.000 1.275 582 E HN 0.208 nan 8.360 nan 0.000 0.451 583 T N 1.536 116.046 114.554 -0.073 0.000 2.806 583 T HA 0.353 4.705 4.350 0.004 0.000 0.290 583 T C -0.980 173.814 174.700 0.156 0.000 0.966 583 T CA -0.363 61.707 62.100 -0.049 0.000 1.060 583 T CB 0.362 69.202 68.868 -0.046 0.000 0.927 583 T HN 0.316 nan 8.240 nan 0.000 0.485 584 H N 1.243 120.227 119.070 -0.144 0.000 2.670 584 H HA 0.735 5.293 4.556 0.004 0.000 0.361 584 H C -0.843 174.423 175.328 -0.104 0.000 1.169 584 H CA -1.244 54.733 56.048 -0.118 0.000 1.198 584 H CB 1.444 31.120 29.762 -0.144 0.000 1.700 584 H HN 0.365 nan 8.280 nan 0.000 0.542 585 L N 1.382 122.602 121.223 -0.005 0.000 2.406 585 L HA 0.807 5.149 4.340 0.004 0.000 0.272 585 L C -1.192 175.594 176.870 -0.139 0.000 0.980 585 L CA -0.494 54.331 54.840 -0.026 0.000 0.831 585 L CB 0.886 42.945 42.059 0.001 0.000 1.253 585 L HN 0.691 nan 8.230 nan 0.000 0.406 586 A N 3.032 125.726 122.820 -0.210 0.000 2.401 586 A HA 0.985 5.307 4.320 0.004 0.000 0.310 586 A C -0.386 176.842 177.584 -0.594 0.000 1.075 586 A CA -0.037 51.714 52.037 -0.477 0.000 0.746 586 A CB 1.623 20.487 19.000 -0.227 0.000 1.277 586 A HN 1.073 nan 8.150 nan 0.000 0.425 587 G N -0.203 107.879 108.800 -1.197 0.000 2.612 587 G HA2 0.622 4.585 3.960 0.004 0.000 0.298 587 G HA3 0.622 4.585 3.960 0.004 0.000 0.298 587 G C -1.605 173.200 174.900 -0.159 0.000 1.336 587 G CA -0.496 44.283 45.100 -0.535 0.000 0.953 587 G HN 1.094 nan 8.290 nan 0.000 0.482 588 L N 1.142 122.447 121.223 0.136 0.000 2.401 588 L HA 0.840 5.182 4.340 0.004 0.000 0.266 588 L C -1.702 175.291 176.870 0.206 0.000 0.991 588 L CA -1.118 53.825 54.840 0.172 0.000 0.818 588 L CB 2.168 44.305 42.059 0.130 0.000 1.321 588 L HN 0.504 nan 8.230 nan 0.000 0.413 589 L N 4.806 126.179 121.223 0.250 0.000 2.385 589 L HA 0.727 5.069 4.340 0.004 0.000 0.273 589 L C -1.606 175.466 176.870 0.337 0.000 0.990 589 L CA -0.228 54.748 54.840 0.227 0.000 0.821 589 L CB 1.635 43.819 42.059 0.209 0.000 1.279 589 L HN 0.588 nan 8.230 nan 0.000 0.412 590 F N 4.473 124.482 119.950 0.099 0.000 2.678 590 F HA 0.847 5.378 4.527 0.006 0.000 0.308 590 F C -0.069 175.774 175.800 0.072 0.000 1.118 590 F CA 0.414 58.474 58.000 0.100 0.000 0.959 590 F CB 1.663 40.711 39.000 0.081 0.000 1.305 590 F HN 0.954 nan 8.300 nan 0.000 0.443 591 G N 3.820 111.889 108.800 -1.218 0.000 2.498 591 G HA2 -0.071 3.891 3.960 0.004 0.000 0.651 591 G HA3 -0.071 3.891 3.960 0.004 0.000 0.651 591 G C 0.155 174.821 174.900 -0.390 0.000 1.284 591 G CA -0.098 44.433 45.100 -0.949 0.000 0.950 591 G HN 1.161 nan 8.290 nan 0.000 0.511 592 E N -0.350 119.692 120.200 -0.263 0.000 2.153 592 E HA 0.293 4.645 4.350 0.004 0.000 0.194 592 E C 1.477 178.023 176.600 -0.090 0.000 0.988 592 E CA 1.399 57.718 56.400 -0.135 0.000 0.811 592 E CB 0.102 29.741 29.700 -0.103 0.000 0.746 592 E HN 2.422 nan 8.360 nan 0.000 0.466 593 G N -0.176 108.569 108.800 -0.093 0.000 2.337 593 G HA2 -0.087 3.876 3.960 0.004 0.000 0.197 593 G HA3 -0.087 3.876 3.960 0.004 0.000 0.197 593 G C -1.075 173.799 174.900 -0.044 0.000 1.238 593 G CA -0.413 44.657 45.100 -0.050 0.000 1.119 593 G HN 0.225 nan 8.290 nan 0.000 0.514 594 V N 1.027 120.922 119.914 -0.032 0.000 2.555 594 V HA 0.931 5.054 4.120 0.004 0.000 0.302 594 V C 0.914 176.964 176.094 -0.073 0.000 1.038 594 V CA 0.846 63.122 62.300 -0.039 0.000 0.887 594 V CB 0.784 32.600 31.823 -0.012 0.000 0.991 594 V HN 2.502 nan 8.190 nan 0.000 0.434 595 G N 2.880 111.620 108.800 -0.100 0.000 2.323 595 G HA2 0.324 4.287 3.960 0.004 0.000 0.291 595 G HA3 0.324 4.287 3.960 0.004 0.000 0.291 595 G C -1.621 173.145 174.900 -0.222 0.000 1.278 595 G CA -1.087 43.922 45.100 -0.150 0.000 0.860 595 G HN 0.592 nan 8.290 nan 0.000 0.504 596 L N 2.393 123.400 121.223 -0.360 0.000 2.456 596 L HA 0.247 4.589 4.340 0.004 0.000 0.277 596 L C -0.780 175.757 176.870 -0.556 0.000 1.124 596 L CA -1.406 53.046 54.840 -0.647 0.000 0.880 596 L CB 1.202 42.569 42.059 -1.154 0.000 1.192 596 L HN 0.431 nan 8.230 nan 0.000 0.463 597 P HA -0.173 nan 4.420 nan 0.000 0.221 597 P C 0.932 178.197 177.300 -0.059 0.000 1.145 597 P CA 1.504 64.515 63.100 -0.147 0.000 0.795 597 P CB 0.022 31.712 31.700 -0.017 0.000 0.775 598 W N -1.250 120.049 121.300 -0.002 0.000 3.278 598 W HA 0.641 5.301 4.660 0.001 0.000 0.308 598 W C 0.400 176.918 176.519 -0.001 0.000 1.253 598 W CA -0.186 57.158 57.345 -0.001 0.000 1.759 598 W CB -0.689 28.770 29.460 -0.001 0.000 1.093 598 W HN -0.130 nan 8.180 nan 0.000 0.648 599 A N 1.738 124.418 122.820 -0.232 0.000 3.158 599 A HA 0.605 4.928 4.320 0.004 0.000 0.217 599 A C 1.130 178.651 177.584 -0.105 0.000 1.469 599 A CA 0.032 51.972 52.037 -0.163 0.000 0.885 599 A CB 1.074 19.821 19.000 -0.422 0.000 1.662 599 A HN -0.060 nan 8.150 nan 0.000 0.512 600 K N -1.256 119.086 120.400 -0.096 0.000 2.485 600 K HA 0.245 4.568 4.320 0.004 0.000 0.200 600 K C -0.167 176.387 176.600 -0.076 0.000 1.344 600 K CA 0.419 56.668 56.287 -0.064 0.000 0.948 600 K CB -0.137 32.347 32.500 -0.026 0.000 1.454 600 K HN 0.588 nan 8.250 nan 0.000 0.502 601 E N 1.343 121.494 120.200 -0.082 0.000 2.467 601 E HA 0.108 4.461 4.350 0.004 0.000 0.264 601 E C -0.560 175.985 176.600 -0.091 0.000 1.020 601 E CA 0.878 57.232 56.400 -0.075 0.000 0.945 601 E CB 0.517 30.172 29.700 -0.074 0.000 0.942 601 E HN 0.130 nan 8.360 nan 0.000 0.449 602 R N 0.951 121.410 120.500 -0.070 0.000 2.716 602 R HA 0.478 4.820 4.340 0.004 0.000 0.271 602 R C -1.196 175.075 176.300 -0.049 0.000 1.028 602 R CA -0.794 55.265 56.100 -0.069 0.000 0.883 602 R CB 1.264 31.526 30.300 -0.063 0.000 1.250 602 R HN 0.334 nan 8.270 nan 0.000 0.465 603 L N 1.921 123.115 121.223 -0.047 0.000 2.319 603 L HA 0.601 4.944 4.340 0.004 0.000 0.281 603 L C -0.319 176.543 176.870 -0.013 0.000 1.005 603 L CA -0.210 54.612 54.840 -0.030 0.000 0.828 603 L CB 1.680 43.711 42.059 -0.048 0.000 1.227 603 L HN 0.881 nan 8.230 nan 0.000 0.415 604 S N 1.508 117.212 115.700 0.007 0.000 2.800 604 S HA 0.900 5.373 4.470 0.004 0.000 0.293 604 S C 0.081 174.678 174.600 -0.005 0.000 1.209 604 S CA -0.173 58.032 58.200 0.008 0.000 0.884 604 S CB 1.198 64.399 63.200 0.002 0.000 1.244 604 S HN 1.079 nan 8.310 nan 0.000 0.540 605 G N 0.888 109.669 108.800 -0.031 0.000 2.578 605 G HA2 -0.325 3.638 3.960 0.004 0.000 0.275 605 G HA3 -0.325 3.638 3.960 0.004 0.000 0.275 605 G C 0.304 174.824 174.900 -0.632 0.000 1.271 605 G CA 0.953 45.884 45.100 -0.281 0.000 0.941 605 G HN 1.710 nan 8.290 nan 0.000 0.564 606 Y N 0.256 119.864 120.300 -1.153 0.000 1.956 606 Y HA -0.174 4.378 4.550 0.003 0.000 0.258 606 Y C 2.840 178.536 175.900 -0.341 0.000 1.152 606 Y CA 3.302 60.990 58.100 -0.686 0.000 1.093 606 Y CB -0.775 37.371 38.460 -0.524 0.000 0.945 606 Y HN 0.401 nan 8.280 nan 0.000 0.488 607 F N -0.501 119.428 119.950 -0.035 0.000 2.346 607 F HA -0.217 4.314 4.527 0.006 0.000 0.301 607 F C 2.075 177.792 175.800 -0.139 0.000 1.070 607 F CA 1.310 59.263 58.000 -0.078 0.000 1.407 607 F CB -0.781 38.258 39.000 0.065 0.000 1.072 607 F HN 0.243 nan 8.300 nan 0.000 0.543 608 L N -0.526 120.697 121.223 -0.001 0.000 2.102 608 L HA -0.038 4.304 4.340 0.004 0.000 0.202 608 L C 2.101 178.989 176.870 0.031 0.000 1.076 608 L CA 1.425 56.268 54.840 0.006 0.000 0.761 608 L CB -0.796 41.278 42.059 0.025 0.000 0.921 608 L HN 0.141 nan 8.230 nan 0.000 0.444 609 L N -0.216 120.982 121.223 -0.040 0.000 2.131 609 L HA -0.243 4.100 4.340 0.004 0.000 0.210 609 L C 2.511 179.351 176.870 -0.050 0.000 1.092 609 L CA 1.738 56.593 54.840 0.025 0.000 0.759 609 L CB -0.276 41.793 42.059 0.017 0.000 0.903 609 L HN 0.424 nan 8.230 nan 0.000 0.435 610 K N -0.563 119.701 120.400 -0.227 0.000 2.288 610 K HA -0.096 4.226 4.320 0.004 0.000 0.201 610 K C 1.832 178.436 176.600 0.007 0.000 1.048 610 K CA 1.045 57.242 56.287 -0.148 0.000 0.956 610 K CB -0.084 32.239 32.500 -0.296 0.000 0.746 610 K HN 0.382 nan 8.250 nan 0.000 0.461 611 G N 0.021 108.814 108.800 -0.012 0.000 2.414 611 G HA2 -0.236 3.726 3.960 0.004 0.000 0.215 611 G HA3 -0.236 3.726 3.960 0.004 0.000 0.215 611 G C 1.057 175.911 174.900 -0.077 0.000 1.188 611 G CA 0.632 45.701 45.100 -0.052 0.000 0.783 611 G HN 0.263 nan 8.290 nan 0.000 0.537 612 Y N 0.724 120.997 120.300 -0.044 0.000 2.114 612 Y HA -0.058 4.494 4.550 0.004 0.000 0.282 612 Y C 2.837 178.701 175.900 -0.060 0.000 1.165 612 Y CA 1.104 59.202 58.100 -0.003 0.000 1.148 612 Y CB -0.375 38.102 38.460 0.028 0.000 0.972 612 Y HN 0.057 nan 8.280 nan 0.000 0.504 613 L N -0.402 120.808 121.223 -0.021 0.000 2.083 613 L HA -0.234 4.109 4.340 0.004 0.000 0.209 613 L C 2.189 178.803 176.870 -0.427 0.000 1.083 613 L CA 1.511 56.117 54.840 -0.390 0.000 0.752 613 L CB -0.457 41.242 42.059 -0.599 0.000 0.899 613 L HN 0.316 nan 8.230 nan 0.000 0.433 614 E N -0.120 119.970 120.200 -0.184 0.000 2.106 614 E HA -0.180 4.173 4.350 0.004 0.000 0.192 614 E C 2.273 178.863 176.600 -0.016 0.000 0.984 614 E CA 1.001 57.399 56.400 -0.004 0.000 0.806 614 E CB -0.093 29.700 29.700 0.156 0.000 0.750 614 E HN 0.497 nan 8.360 nan 0.000 0.458 615 A N 1.375 124.164 122.820 -0.053 0.000 1.873 615 A HA -0.156 4.166 4.320 0.004 0.000 0.215 615 A C 2.176 179.704 177.584 -0.093 0.000 1.186 615 A CA 0.966 52.973 52.037 -0.050 0.000 0.616 615 A CB -0.560 18.410 19.000 -0.049 0.000 0.823 615 A HN 0.233 nan 8.150 nan 0.000 0.442 616 L N -1.270 119.843 121.223 -0.183 0.000 1.989 616 L HA -0.127 4.215 4.340 0.004 0.000 0.211 616 L C 2.122 178.736 176.870 -0.426 0.000 1.071 616 L CA 2.170 56.790 54.840 -0.366 0.000 0.749 616 L CB -0.854 40.833 42.059 -0.621 0.000 0.890 616 L HN 0.327 nan 8.230 nan 0.000 0.431 617 F N -0.255 119.538 119.950 -0.263 0.000 2.407 617 F HA 0.015 4.544 4.527 0.004 0.000 0.299 617 F C 2.410 178.162 175.800 -0.081 0.000 1.097 617 F CA 0.901 58.792 58.000 -0.182 0.000 1.422 617 F CB -1.048 37.819 39.000 -0.222 0.000 1.067 617 F HN 0.217 nan 8.300 nan 0.000 0.539 618 A N 0.021 122.883 122.820 0.069 0.000 1.897 618 A HA -0.175 4.148 4.320 0.004 0.000 0.215 618 A C 2.213 179.807 177.584 0.016 0.000 1.181 618 A CA 1.539 53.610 52.037 0.056 0.000 0.620 618 A CB -0.550 18.471 19.000 0.036 0.000 0.821 618 A HN 0.225 nan 8.150 nan 0.000 0.443 619 R N 0.168 120.650 120.500 -0.031 0.000 2.120 619 R HA 0.034 4.376 4.340 0.004 0.000 0.234 619 R C 1.508 177.779 176.300 -0.048 0.000 1.123 619 R CA 1.438 57.510 56.100 -0.047 0.000 0.975 619 R CB -0.745 29.506 30.300 -0.082 0.000 0.866 619 R HN 0.503 nan 8.270 nan 0.000 0.446 620 L N -0.848 120.339 121.223 -0.060 0.000 2.558 620 L HA 0.268 4.610 4.340 0.004 0.000 0.225 620 L C 0.950 177.837 176.870 0.027 0.000 1.128 620 L CA 0.431 55.248 54.840 -0.038 0.000 0.868 620 L CB -0.116 41.898 42.059 -0.075 0.000 1.006 620 L HN 0.526 nan 8.230 nan 0.000 0.454 621 G N 1.258 110.087 108.800 0.048 0.000 2.225 621 G HA2 -0.261 3.702 3.960 0.004 0.000 0.264 621 G HA3 -0.261 3.702 3.960 0.004 0.000 0.264 621 G C -0.199 174.754 174.900 0.088 0.000 1.060 621 G CA -0.039 45.098 45.100 0.062 0.000 0.833 621 G HN 0.238 nan 8.290 nan 0.000 0.498 622 L N -0.381 120.928 121.223 0.143 0.000 2.386 622 L HA 0.777 5.119 4.340 0.004 0.000 0.271 622 L C 0.829 177.779 176.870 0.133 0.000 0.993 622 L CA -0.927 54.006 54.840 0.155 0.000 0.819 622 L CB 2.063 44.274 42.059 0.253 0.000 1.294 622 L HN 0.321 nan 8.230 nan 0.000 0.414 623 A N 2.533 125.389 122.820 0.059 0.000 2.520 623 A HA 0.342 4.665 4.320 0.004 0.000 0.245 623 A C -0.980 176.599 177.584 -0.009 0.000 1.072 623 A CA 0.399 52.455 52.037 0.031 0.000 0.761 623 A CB -0.157 18.840 19.000 -0.005 0.000 1.004 623 A HN 0.490 nan 8.150 nan 0.000 0.499 624 F N 3.238 123.082 119.950 -0.177 0.000 2.539 624 F HA 0.667 5.196 4.527 0.003 0.000 0.318 624 F C -0.179 175.532 175.800 -0.148 0.000 1.135 624 F CA -0.699 57.114 58.000 -0.313 0.000 0.915 624 F CB 1.483 40.278 39.000 -0.342 0.000 1.176 624 F HN 0.715 nan 8.300 nan 0.000 0.440 625 R N 5.017 125.048 120.500 -0.781 0.000 2.698 625 R HA 0.811 5.154 4.340 0.004 0.000 0.275 625 R C -2.382 173.511 176.300 -0.677 0.000 1.001 625 R CA -0.743 55.006 56.100 -0.586 0.000 0.896 625 R CB 2.255 32.392 30.300 -0.272 0.000 1.218 625 R HN 0.514 nan 8.270 nan 0.000 0.462 626 V N 3.596 123.255 119.914 -0.424 0.000 2.380 626 V HA 0.316 4.438 4.120 0.004 0.000 0.286 626 V C -0.792 175.272 176.094 -0.050 0.000 1.015 626 V CA -0.722 61.444 62.300 -0.224 0.000 0.834 626 V CB 1.443 33.187 31.823 -0.132 0.000 1.009 626 V HN 0.799 nan 8.190 nan 0.000 0.428 627 E N 2.970 123.156 120.200 -0.023 0.000 2.204 627 E HA 0.716 5.068 4.350 0.004 0.000 0.276 627 E C 0.050 176.676 176.600 0.042 0.000 0.974 627 E CA -0.738 55.666 56.400 0.006 0.000 0.815 627 E CB 2.088 31.780 29.700 -0.012 0.000 1.119 627 E HN 0.765 nan 8.360 nan 0.000 0.393 628 A N 3.205 126.042 122.820 0.029 0.000 2.520 628 A HA 0.073 4.395 4.320 0.004 0.000 0.245 628 A C -0.066 177.518 177.584 -0.001 0.000 1.072 628 A CA 0.508 52.559 52.037 0.024 0.000 0.761 628 A CB 0.317 19.316 19.000 -0.002 0.000 1.004 628 A HN 0.632 nan 8.150 nan 0.000 0.499 629 Q N 0.673 120.467 119.800 -0.011 0.000 2.435 629 Q HA 0.573 4.915 4.340 0.004 0.000 0.282 629 Q C -0.963 174.869 176.000 -0.281 0.000 1.020 629 Q CA -0.597 55.114 55.803 -0.153 0.000 0.820 629 Q CB 2.059 30.689 28.738 -0.180 0.000 1.436 629 Q HN 1.139 nan 8.270 nan 0.000 0.395 630 A N 2.012 124.588 122.820 -0.407 0.000 2.327 630 A HA 0.733 5.056 4.320 0.004 0.000 0.283 630 A C -1.360 175.755 177.584 -0.781 0.000 1.127 630 A CA 0.075 51.871 52.037 -0.401 0.000 0.810 630 A CB 0.160 19.008 19.000 -0.254 0.000 1.066 630 A HN 0.476 nan 8.150 nan 0.000 0.492 631 F N 2.811 122.593 119.950 -0.281 0.000 2.617 631 F HA 0.388 4.917 4.527 0.004 0.000 0.325 631 F C -1.575 173.824 175.800 -0.669 0.000 1.179 631 F CA -1.590 56.042 58.000 -0.614 0.000 0.965 631 F CB 2.214 40.649 39.000 -0.942 0.000 1.232 631 F HN 0.450 nan 8.300 nan 0.000 0.461 632 P HA -0.261 nan 4.420 nan 0.000 0.218 632 P C 1.360 178.552 177.300 -0.179 0.000 1.154 632 P CA 2.006 64.965 63.100 -0.235 0.000 0.872 632 P CB -0.192 31.433 31.700 -0.125 0.000 0.790 633 F N -1.891 118.091 119.950 0.053 0.000 2.780 633 F HA 0.274 4.803 4.527 0.004 0.000 0.299 633 F C 1.053 176.870 175.800 0.028 0.000 1.146 633 F CA -0.572 57.455 58.000 0.044 0.000 1.428 633 F CB -1.336 37.704 39.000 0.067 0.000 1.115 633 F HN -0.234 nan 8.300 nan 0.000 0.583 634 L N 0.354 121.576 121.223 -0.002 0.000 2.332 634 L HA 0.313 4.656 4.340 0.004 0.000 0.269 634 L C 0.288 177.232 176.870 0.123 0.000 1.016 634 L CA -1.287 53.625 54.840 0.121 0.000 0.809 634 L CB 0.679 42.792 42.059 0.090 0.000 1.280 634 L HN 0.011 nan 8.230 nan 0.000 0.447 635 H N 3.982 123.026 119.070 -0.042 0.000 2.929 635 H HA 0.060 4.619 4.556 0.005 0.000 0.317 635 H C -1.866 173.385 175.328 -0.128 0.000 1.031 635 H CA -1.658 54.263 56.048 -0.212 0.000 1.466 635 H CB 1.435 31.105 29.762 -0.152 0.000 1.482 635 H HN 0.307 nan 8.280 nan 0.000 0.561 636 P HA -0.129 nan 4.420 nan 0.000 0.217 636 P C 1.243 178.633 177.300 0.151 0.000 1.148 636 P CA 1.700 64.805 63.100 0.009 0.000 0.828 636 P CB 0.002 31.644 31.700 -0.097 0.000 0.783 637 G N -0.242 108.846 108.800 0.480 0.000 2.453 637 G HA2 0.001 3.963 3.960 0.004 0.000 0.215 637 G HA3 0.001 3.963 3.960 0.004 0.000 0.215 637 G C 0.683 175.551 174.900 -0.055 0.000 1.147 637 G CA 0.202 45.416 45.100 0.190 0.000 0.802 637 G HN 0.235 nan 8.290 nan 0.000 0.535 638 V N 1.344 121.187 119.914 -0.118 0.000 2.205 638 V HA 0.586 4.709 4.120 0.004 0.000 0.263 638 V C -0.224 175.859 176.094 -0.018 0.000 1.138 638 V CA -0.483 61.680 62.300 -0.228 0.000 1.059 638 V CB 0.426 32.081 31.823 -0.281 0.000 1.232 638 V HN 0.181 nan 8.190 nan 0.000 0.469 639 S N 1.889 117.599 115.700 0.015 0.000 2.572 639 S HA 0.872 5.345 4.470 0.004 0.000 0.274 639 S C -0.295 174.410 174.600 0.175 0.000 1.150 639 S CA 0.157 58.453 58.200 0.160 0.000 0.944 639 S CB 1.773 65.066 63.200 0.155 0.000 1.071 639 S HN 0.892 nan 8.310 nan 0.000 0.479 640 G N 2.728 111.724 108.800 0.327 0.000 2.677 640 G HA2 0.632 4.594 3.960 0.004 0.000 0.291 640 G HA3 0.632 4.594 3.960 0.004 0.000 0.291 640 G C -1.517 173.669 174.900 0.477 0.000 1.435 640 G CA -0.981 44.300 45.100 0.302 0.000 0.826 640 G HN 0.879 nan 8.290 nan 0.000 0.491 641 R N -0.501 120.225 120.500 0.377 0.000 2.486 641 R HA 0.746 5.088 4.340 0.004 0.000 0.286 641 R C -1.033 175.379 176.300 0.185 0.000 0.999 641 R CA -0.688 55.656 56.100 0.406 0.000 0.993 641 R CB 1.880 32.386 30.300 0.343 0.000 1.084 641 R HN 0.219 nan 8.270 nan 0.000 0.487 642 V N 3.682 123.691 119.914 0.158 0.000 2.439 642 V HA 0.315 4.438 4.120 0.004 0.000 0.282 642 V C -0.512 175.563 176.094 -0.032 0.000 1.039 642 V CA -0.759 61.558 62.300 0.028 0.000 0.913 642 V CB 1.216 33.124 31.823 0.142 0.000 0.983 642 V HN 0.521 nan 8.190 nan 0.000 0.460 643 L N 5.630 126.747 121.223 -0.177 0.000 2.381 643 L HA 0.623 4.966 4.340 0.004 0.000 0.274 643 L C -0.426 176.322 176.870 -0.204 0.000 0.988 643 L CA -0.182 54.572 54.840 -0.145 0.000 0.824 643 L CB 2.068 44.048 42.059 -0.131 0.000 1.263 643 L HN 0.364 nan 8.230 nan 0.000 0.410 644 V N 2.919 122.745 119.914 -0.147 0.000 2.444 644 V HA 0.431 4.553 4.120 0.004 0.000 0.294 644 V C -0.105 175.941 176.094 -0.080 0.000 1.022 644 V CA -0.689 61.504 62.300 -0.177 0.000 0.850 644 V CB 1.426 33.127 31.823 -0.203 0.000 0.992 644 V HN 0.791 nan 8.190 nan 0.000 0.426 645 E N 3.176 123.338 120.200 -0.064 0.000 2.389 645 E HA -0.217 4.136 4.350 0.004 0.000 0.243 645 E C 0.944 177.525 176.600 -0.032 0.000 1.154 645 E CA 1.012 57.395 56.400 -0.029 0.000 0.723 645 E CB -1.272 28.426 29.700 -0.003 0.000 1.261 645 E HN 1.648 nan 8.360 nan 0.000 0.390 646 G N 0.923 109.693 108.800 -0.049 0.000 2.374 646 G HA2 -0.243 3.719 3.960 0.004 0.000 0.289 646 G HA3 -0.243 3.719 3.960 0.004 0.000 0.289 646 G C -0.161 174.723 174.900 -0.026 0.000 1.004 646 G CA 1.168 46.243 45.100 -0.042 0.000 1.292 646 G HN 0.427 nan 8.290 nan 0.000 0.502 647 E N -0.109 120.074 120.200 -0.028 0.000 2.677 647 E HA 0.227 4.579 4.350 0.004 0.000 0.330 647 E C -0.251 176.349 176.600 0.000 0.000 0.933 647 E CA -0.628 55.769 56.400 -0.006 0.000 0.797 647 E CB 0.605 30.305 29.700 0.000 0.000 1.326 647 E HN 0.383 nan 8.360 nan 0.000 0.404 648 E N 3.203 123.416 120.200 0.022 0.000 2.415 648 E HA 0.070 4.423 4.350 0.004 0.000 0.260 648 E C 0.596 177.231 176.600 0.058 0.000 1.016 648 E CA 0.443 56.873 56.400 0.050 0.000 0.924 648 E CB 0.780 30.529 29.700 0.083 0.000 0.961 648 E HN 0.419 nan 8.360 nan 0.000 0.459 649 V N 1.026 120.973 119.914 0.056 0.000 3.398 649 V HA 0.586 4.709 4.120 0.004 0.000 0.298 649 V C 0.428 176.541 176.094 0.031 0.000 1.496 649 V CA 0.423 62.748 62.300 0.042 0.000 1.044 649 V CB 0.327 32.168 31.823 0.031 0.000 0.880 649 V HN 0.671 nan 8.190 nan 0.000 0.443 650 G N 0.958 109.807 108.800 0.081 0.000 2.356 650 G HA2 0.516 4.479 3.960 0.004 0.000 0.281 650 G HA3 0.516 4.479 3.960 0.004 0.000 0.281 650 G C -1.584 173.409 174.900 0.155 0.000 1.246 650 G CA -0.042 45.091 45.100 0.054 0.000 0.889 650 G HN 1.015 nan 8.290 nan 0.000 0.486 651 F N -1.236 118.729 119.950 0.026 0.000 2.626 651 F HA 0.934 5.464 4.527 0.004 0.000 0.311 651 F C -1.535 174.357 175.800 0.155 0.000 1.088 651 F CA -1.647 56.342 58.000 -0.019 0.000 0.949 651 F CB 2.062 40.702 39.000 -0.599 0.000 1.322 651 F HN 0.777 nan 8.300 nan 0.000 0.461 652 L N 1.761 123.284 121.223 0.501 0.000 2.482 652 L HA 0.995 5.337 4.340 0.004 0.000 0.263 652 L C -0.544 176.665 176.870 0.566 0.000 0.957 652 L CA 0.145 55.268 54.840 0.471 0.000 0.836 652 L CB 1.833 44.090 42.059 0.331 0.000 1.324 652 L HN 1.394 nan 8.230 nan 0.000 0.406 653 G N 2.331 111.471 108.800 0.567 0.000 2.323 653 G HA2 0.623 4.585 3.960 0.004 0.000 0.291 653 G HA3 0.623 4.585 3.960 0.004 0.000 0.291 653 G C -1.941 173.243 174.900 0.474 0.000 1.278 653 G CA -0.193 45.224 45.100 0.529 0.000 0.860 653 G HN 0.988 nan 8.290 nan 0.000 0.504 654 A N -0.627 122.392 122.820 0.331 0.000 2.306 654 A HA 0.744 5.066 4.320 0.004 0.000 0.314 654 A C 0.031 177.683 177.584 0.113 0.000 1.164 654 A CA -0.474 51.627 52.037 0.107 0.000 0.822 654 A CB 1.276 20.216 19.000 -0.100 0.000 1.130 654 A HN 1.883 nan 8.150 nan 0.000 0.496 655 L N 2.233 123.498 121.223 0.070 0.000 2.514 655 L HA 0.036 4.379 4.340 0.004 0.000 0.280 655 L C 0.812 177.774 176.870 0.154 0.000 1.223 655 L CA 0.464 55.384 54.840 0.133 0.000 0.864 655 L CB -0.068 42.072 42.059 0.135 0.000 1.118 655 L HN 0.767 nan 8.230 nan 0.000 0.494 656 H N 6.468 125.599 119.070 0.102 0.000 2.964 656 H HA 0.059 4.619 4.556 0.005 0.000 0.328 656 H C -1.872 173.476 175.328 0.033 0.000 1.030 656 H CA -1.190 54.891 56.048 0.055 0.000 1.445 656 H CB 1.045 30.820 29.762 0.020 0.000 1.449 656 H HN 0.527 nan 8.280 nan 0.000 0.581 657 P HA -0.172 nan 4.420 nan 0.000 0.216 657 P C 1.084 178.485 177.300 0.168 0.000 1.153 657 P CA 1.702 64.852 63.100 0.083 0.000 0.858 657 P CB 0.302 31.990 31.700 -0.020 0.000 0.789 658 E N -0.768 119.648 120.200 0.360 0.000 2.085 658 E HA -0.159 4.193 4.350 0.004 0.000 0.194 658 E C 2.009 178.633 176.600 0.041 0.000 0.994 658 E CA 1.001 57.490 56.400 0.149 0.000 0.801 658 E CB -0.563 29.162 29.700 0.042 0.000 0.743 658 E HN 0.282 nan 8.360 nan 0.000 0.453 659 I N 1.068 121.668 120.570 0.050 0.000 2.252 659 I HA -0.233 3.940 4.170 0.004 0.000 0.245 659 I C 2.593 178.686 176.117 -0.041 0.000 1.102 659 I CA 0.775 62.042 61.300 -0.056 0.000 1.385 659 I CB -0.389 37.596 38.000 -0.025 0.000 1.064 659 I HN 0.077 nan 8.210 nan 0.000 0.414 660 A N 0.341 123.185 122.820 0.040 0.000 1.883 660 A HA -0.285 4.038 4.320 0.004 0.000 0.217 660 A C 2.239 179.830 177.584 0.012 0.000 1.186 660 A CA 1.773 53.831 52.037 0.035 0.000 0.624 660 A CB -0.577 18.460 19.000 0.063 0.000 0.822 660 A HN 0.332 nan 8.150 nan 0.000 0.444 661 Q N -0.545 119.266 119.800 0.018 0.000 2.030 661 Q HA -0.177 4.165 4.340 0.004 0.000 0.204 661 Q C 2.023 178.014 176.000 -0.015 0.000 0.986 661 Q CA 1.977 57.785 55.803 0.009 0.000 0.843 661 Q CB -0.485 28.263 28.738 0.016 0.000 0.904 661 Q HN 0.839 nan 8.270 nan 0.000 0.420 662 E N -0.271 119.906 120.200 -0.039 0.000 2.171 662 E HA -0.184 4.168 4.350 0.004 0.000 0.197 662 E C 1.258 177.821 176.600 -0.062 0.000 0.997 662 E CA 0.892 57.256 56.400 -0.059 0.000 0.810 662 E CB -0.063 29.579 29.700 -0.097 0.000 0.738 662 E HN 0.328 nan 8.360 nan 0.000 0.467 663 L N 0.362 121.543 121.223 -0.070 0.000 2.591 663 L HA 0.109 4.451 4.340 0.004 0.000 0.228 663 L C 0.052 176.910 176.870 -0.020 0.000 1.133 663 L CA 0.160 54.969 54.840 -0.050 0.000 0.880 663 L CB -0.079 41.946 42.059 -0.058 0.000 1.033 663 L HN 0.079 nan 8.230 nan 0.000 0.450 664 E N 1.023 121.216 120.200 -0.013 0.000 2.246 664 E HA -0.186 4.166 4.350 0.004 0.000 0.211 664 E C -0.745 175.856 176.600 0.002 0.000 1.278 664 E CA 0.177 56.578 56.400 0.001 0.000 0.694 664 E CB -1.286 28.416 29.700 0.002 0.000 1.166 664 E HN 0.380 nan 8.360 nan 0.000 0.370 665 L N -0.178 121.048 121.223 0.006 0.000 2.388 665 L HA 0.576 4.919 4.340 0.004 0.000 0.264 665 L C -2.104 174.795 176.870 0.048 0.000 0.998 665 L CA -2.251 52.589 54.840 -0.001 0.000 0.817 665 L CB 1.697 43.734 42.059 -0.036 0.000 1.338 665 L HN -0.101 nan 8.230 nan 0.000 0.414 666 P HA 0.159 nan 4.420 nan 0.000 0.275 666 P C -2.570 174.831 177.300 0.168 0.000 1.270 666 P CA -0.861 62.345 63.100 0.178 0.000 0.791 666 P CB -0.317 31.590 31.700 0.346 0.000 1.089 667 P HA 0.022 nan 4.420 nan 0.000 0.266 667 P C -0.981 176.390 177.300 0.119 0.000 1.195 667 P CA 0.582 63.735 63.100 0.088 0.000 0.768 667 P CB 0.373 32.112 31.700 0.065 0.000 0.838 668 V N 3.900 123.807 119.914 -0.011 0.000 2.709 668 V HA 0.336 4.459 4.120 0.004 0.000 0.308 668 V C -0.050 175.969 176.094 -0.124 0.000 1.062 668 V CA -0.610 61.720 62.300 0.050 0.000 0.901 668 V CB 1.924 33.809 31.823 0.104 0.000 1.003 668 V HN 0.628 nan 8.190 nan 0.000 0.425 669 H N 4.848 124.051 119.070 0.222 0.000 2.524 669 H HA 0.853 5.412 4.556 0.004 0.000 0.353 669 H C -0.911 174.560 175.328 0.238 0.000 1.136 669 H CA -0.397 55.786 56.048 0.225 0.000 1.193 669 H CB 2.223 32.108 29.762 0.204 0.000 1.558 669 H HN 0.555 nan 8.280 nan 0.000 0.515 670 L N 0.193 121.644 121.223 0.380 0.000 2.892 670 L HA 0.640 4.983 4.340 0.004 0.000 0.269 670 L C -1.180 175.903 176.870 0.355 0.000 1.058 670 L CA -1.238 53.791 54.840 0.314 0.000 0.923 670 L CB 1.071 43.234 42.059 0.172 0.000 1.518 670 L HN 0.431 nan 8.230 nan 0.000 0.402 671 F N -2.297 117.638 119.950 -0.026 0.000 2.662 671 F HA 0.935 5.464 4.527 0.004 0.000 0.312 671 F C -0.963 174.474 175.800 -0.605 0.000 1.113 671 F CA -0.717 57.048 58.000 -0.393 0.000 0.951 671 F CB 1.991 40.899 39.000 -0.153 0.000 1.344 671 F HN 0.780 nan 8.300 nan 0.000 0.462 672 E N 1.839 121.480 120.200 -0.932 0.000 2.311 672 E HA 0.646 4.999 4.350 0.004 0.000 0.281 672 E C -2.140 174.219 176.600 -0.402 0.000 0.905 672 E CA -0.563 55.461 56.400 -0.627 0.000 0.778 672 E CB 2.173 31.578 29.700 -0.491 0.000 1.240 672 E HN 0.809 nan 8.360 nan 0.000 0.410 673 L N 2.419 123.503 121.223 -0.233 0.000 2.309 673 L HA 0.651 4.994 4.340 0.004 0.000 0.261 673 L C -0.200 176.456 176.870 -0.356 0.000 1.021 673 L CA -1.168 53.567 54.840 -0.174 0.000 0.823 673 L CB 2.047 44.133 42.059 0.045 0.000 1.366 673 L HN 0.416 nan 8.230 nan 0.000 0.423 674 R N 1.219 121.567 120.500 -0.254 0.000 2.346 674 R HA 0.666 5.009 4.340 0.004 0.000 0.311 674 R C -1.361 174.917 176.300 -0.038 0.000 0.983 674 R CA -0.446 55.534 56.100 -0.200 0.000 0.880 674 R CB 0.865 31.108 30.300 -0.094 0.000 1.100 674 R HN 0.531 nan 8.270 nan 0.000 0.453 675 L N 5.411 126.639 121.223 0.008 0.000 2.352 675 L HA 0.596 4.938 4.340 0.004 0.000 0.269 675 L C -1.759 175.123 176.870 0.021 0.000 1.034 675 L CA -2.296 52.553 54.840 0.014 0.000 0.806 675 L CB 1.607 43.667 42.059 0.002 0.000 1.244 675 L HN 0.612 nan 8.230 nan 0.000 0.447 676 P HA 0.255 nan 4.420 nan 0.000 0.282 676 P C -0.715 176.603 177.300 0.030 0.000 1.249 676 P CA -0.489 62.620 63.100 0.015 0.000 0.806 676 P CB 1.075 32.783 31.700 0.013 0.000 0.984 677 L N 3.386 124.634 121.223 0.040 0.000 2.473 677 L HA 0.203 4.545 4.340 0.004 0.000 0.268 677 L C -1.794 175.113 176.870 0.063 0.000 1.215 677 L CA -1.754 53.133 54.840 0.078 0.000 0.823 677 L CB -0.685 41.452 42.059 0.130 0.000 1.099 677 L HN 0.258 nan 8.230 nan 0.000 0.483 678 P HA 0.019 nan 4.420 nan 0.000 0.269 678 P C -1.207 176.123 177.300 0.051 0.000 1.209 678 P CA -0.035 63.095 63.100 0.049 0.000 0.776 678 P CB 0.440 32.165 31.700 0.041 0.000 0.876 679 D N 2.397 122.820 120.400 0.038 0.000 2.232 679 D HA 0.137 4.780 4.640 0.004 0.000 0.242 679 D C -0.047 176.274 176.300 0.034 0.000 1.093 679 D CA 0.055 54.076 54.000 0.035 0.000 0.845 679 D CB 0.908 41.725 40.800 0.028 0.000 1.124 679 D HN -0.010 nan 8.370 nan 0.000 0.467 680 K N 4.181 124.604 120.400 0.038 0.000 2.347 680 K HA 0.286 4.608 4.320 0.004 0.000 0.262 680 K C -2.325 174.296 176.600 0.034 0.000 1.052 680 K CA -1.783 54.526 56.287 0.036 0.000 0.946 680 K CB 0.829 33.354 32.500 0.042 0.000 1.220 680 K HN 0.288 nan 8.250 nan 0.000 0.450 681 P HA -0.006 nan 4.420 nan 0.000 0.268 681 P C 0.122 177.446 177.300 0.040 0.000 1.204 681 P CA -0.654 62.466 63.100 0.033 0.000 0.768 681 P CB 0.613 32.330 31.700 0.029 0.000 0.842 682 L N 2.491 123.743 121.223 0.047 0.000 2.499 682 L HA 0.272 4.615 4.340 0.004 0.000 0.281 682 L C 0.394 177.307 176.870 0.072 0.000 1.234 682 L CA 0.728 55.608 54.840 0.066 0.000 0.839 682 L CB -0.098 42.005 42.059 0.074 0.000 1.104 682 L HN 0.643 nan 8.230 nan 0.000 0.500 683 A N 4.696 127.570 122.820 0.090 0.000 3.464 683 A HA 0.219 4.541 4.320 0.004 0.000 0.243 683 A C -0.453 177.190 177.584 0.100 0.000 1.100 683 A CA -0.597 51.489 52.037 0.081 0.000 0.957 683 A CB -0.788 18.234 19.000 0.038 0.000 1.340 683 A HN 0.573 nan 8.150 nan 0.000 0.645 684 F N 1.527 121.484 119.950 0.012 0.000 2.568 684 F HA 0.089 4.619 4.527 0.004 0.000 0.394 684 F C 0.204 176.013 175.800 0.015 0.000 1.032 684 F CA 1.337 59.345 58.000 0.013 0.000 1.242 684 F CB 0.652 39.660 39.000 0.014 0.000 0.966 684 F HN 0.491 nan 8.300 nan 0.000 0.560 685 Q N 5.501 124.799 119.800 -0.837 0.000 2.381 685 Q HA 0.132 4.475 4.340 0.004 0.000 0.263 685 Q C -0.889 174.554 176.000 -0.928 0.000 1.030 685 Q CA -0.640 54.780 55.803 -0.639 0.000 0.772 685 Q CB 1.267 29.818 28.738 -0.312 0.000 1.232 685 Q HN 0.575 nan 8.270 nan 0.000 0.476 686 D N 4.999 124.980 120.400 -0.698 0.000 2.389 686 D HA 0.072 4.714 4.640 0.004 0.000 0.263 686 D C -1.760 174.429 176.300 -0.184 0.000 1.255 686 D CA -0.702 53.071 54.000 -0.379 0.000 0.914 686 D CB 0.849 41.617 40.800 -0.054 0.000 1.116 686 D HN 0.230 nan 8.370 nan 0.000 0.502 687 P HA -0.004 nan 4.420 nan 0.000 0.267 687 P C -0.124 177.191 177.300 0.024 0.000 1.205 687 P CA -0.352 62.724 63.100 -0.039 0.000 0.765 687 P CB 0.899 32.595 31.700 -0.006 0.000 0.828 688 S N 2.032 117.764 115.700 0.054 0.000 2.572 688 S HA 0.040 4.513 4.470 0.004 0.000 0.279 688 S C 1.306 175.979 174.600 0.120 0.000 1.341 688 S CA -0.358 57.921 58.200 0.131 0.000 1.043 688 S CB 0.230 63.531 63.200 0.168 0.000 0.887 688 S HN 0.572 nan 8.310 nan 0.000 0.516 689 R N 1.631 122.200 120.500 0.115 0.000 2.237 689 R HA 0.117 4.459 4.340 0.004 0.000 0.195 689 R C -0.136 176.133 176.300 -0.051 0.000 0.956 689 R CA 0.107 56.196 56.100 -0.019 0.000 1.029 689 R CB -0.071 30.154 30.300 -0.124 0.000 0.972 689 R HN 0.773 nan 8.270 nan 0.000 0.493 690 H N 0.912 120.001 119.070 0.032 0.000 2.757 690 H HA 0.181 4.740 4.556 0.004 0.000 0.370 690 H C -2.167 173.186 175.328 0.042 0.000 1.172 690 H CA -1.648 54.416 56.048 0.026 0.000 1.426 690 H CB -0.261 29.510 29.762 0.015 0.000 1.438 690 H HN 0.044 nan 8.280 nan 0.000 0.612 691 P HA 0.171 nan 4.420 nan 0.000 0.268 691 P C -0.938 176.458 177.300 0.161 0.000 1.208 691 P CA -0.016 63.161 63.100 0.130 0.000 0.777 691 P CB 0.639 32.392 31.700 0.088 0.000 0.875 692 A N 1.884 124.831 122.820 0.212 0.000 2.324 692 A HA 0.684 5.007 4.320 0.004 0.000 0.330 692 A C -0.291 177.508 177.584 0.359 0.000 1.165 692 A CA -0.618 51.566 52.037 0.244 0.000 0.813 692 A CB 0.781 19.905 19.000 0.206 0.000 1.197 692 A HN 0.521 nan 8.150 nan 0.000 0.484 693 A N 1.736 124.735 122.820 0.299 0.000 2.309 693 A HA 0.640 4.963 4.320 0.004 0.000 0.290 693 A C -0.748 177.087 177.584 0.418 0.000 1.206 693 A CA -0.162 52.075 52.037 0.334 0.000 0.850 693 A CB -0.344 18.781 19.000 0.208 0.000 1.118 693 A HN 0.568 nan 8.150 nan 0.000 0.523 694 F N 1.186 121.196 119.950 0.100 0.000 2.399 694 F HA 0.790 5.319 4.527 0.003 0.000 0.328 694 F C 0.794 176.663 175.800 0.115 0.000 1.084 694 F CA -0.369 57.682 58.000 0.085 0.000 1.053 694 F CB 1.583 40.584 39.000 0.002 0.000 1.209 694 F HN 0.670 nan 8.300 nan 0.000 0.502 695 R N 1.590 122.256 120.500 0.277 0.000 3.070 695 R HA 0.209 4.552 4.340 0.004 0.000 0.249 695 R C -2.124 174.325 176.300 0.247 0.000 1.124 695 R CA -0.530 55.716 56.100 0.242 0.000 1.111 695 R CB 1.033 31.479 30.300 0.243 0.000 1.268 695 R HN 0.628 nan 8.270 nan 0.000 0.466 696 D N 3.454 124.001 120.400 0.245 0.000 2.440 696 D HA 0.690 5.333 4.640 0.004 0.000 0.258 696 D C -0.573 175.893 176.300 0.275 0.000 1.092 696 D CA -0.301 53.887 54.000 0.313 0.000 1.016 696 D CB 1.665 42.679 40.800 0.356 0.000 1.141 696 D HN 0.370 nan 8.370 nan 0.000 0.552 697 L N -2.733 118.678 121.223 0.313 0.000 3.349 697 L HA 0.620 4.963 4.340 0.004 0.000 0.265 697 L C -1.499 175.531 176.870 0.267 0.000 0.964 697 L CA -0.896 54.090 54.840 0.242 0.000 1.103 697 L CB 0.452 42.630 42.059 0.198 0.000 1.838 697 L HN 0.371 nan 8.230 nan 0.000 0.527 698 A N 2.411 125.344 122.820 0.189 0.000 2.264 698 A HA 0.984 5.306 4.320 0.004 0.000 0.304 698 A C -0.499 177.184 177.584 0.166 0.000 1.100 698 A CA -0.593 51.533 52.037 0.148 0.000 0.839 698 A CB 1.647 20.683 19.000 0.061 0.000 1.121 698 A HN 1.114 nan 8.150 nan 0.000 0.496 699 V N 1.250 121.261 119.914 0.161 0.000 2.577 699 V HA 0.429 4.551 4.120 0.004 0.000 0.303 699 V C -0.259 175.891 176.094 0.093 0.000 1.042 699 V CA -0.622 61.758 62.300 0.133 0.000 0.872 699 V CB 1.523 33.425 31.823 0.132 0.000 0.998 699 V HN 0.959 nan 8.190 nan 0.000 0.423 700 V N 3.693 123.678 119.914 0.119 0.000 2.461 700 V HA 0.877 4.999 4.120 0.004 0.000 0.275 700 V C -0.226 175.999 176.094 0.218 0.000 1.047 700 V CA -0.282 62.106 62.300 0.147 0.000 0.955 700 V CB 1.275 33.184 31.823 0.142 0.000 0.988 700 V HN 0.756 nan 8.190 nan 0.000 0.471 701 V N 5.348 125.379 119.914 0.194 0.000 3.120 701 V HA 0.666 4.788 4.120 0.004 0.000 0.303 701 V C -2.756 173.371 176.094 0.054 0.000 1.238 701 V CA -2.112 60.306 62.300 0.198 0.000 1.008 701 V CB 3.059 34.813 31.823 -0.114 0.000 1.064 701 V HN 0.835 nan 8.190 nan 0.000 0.434 702 P HA 0.219 nan 4.420 nan 0.000 0.266 702 P C 0.449 177.659 177.300 -0.151 0.000 1.195 702 P CA 0.747 63.650 63.100 -0.328 0.000 0.768 702 P CB 0.900 32.483 31.700 -0.195 0.000 0.838 703 A N 6.790 129.511 122.820 -0.165 0.000 1.948 703 A HA -0.163 4.160 4.320 0.004 0.000 0.220 703 A C -0.233 177.323 177.584 -0.047 0.000 1.177 703 A CA 1.887 53.876 52.037 -0.081 0.000 0.636 703 A CB -2.392 16.566 19.000 -0.070 0.000 0.815 703 A HN 0.538 nan 8.150 nan 0.000 0.449 704 P HA -0.046 nan 4.420 nan 0.000 0.216 704 P C 0.412 177.714 177.300 0.003 0.000 1.153 704 P CA 0.993 64.082 63.100 -0.019 0.000 0.844 704 P CB -0.723 30.964 31.700 -0.021 0.000 0.787 705 T N 4.598 119.162 114.554 0.017 0.000 2.800 705 T HA 0.057 4.409 4.350 0.004 0.000 0.283 705 T C -2.041 172.673 174.700 0.023 0.000 0.999 705 T CA -0.245 61.881 62.100 0.043 0.000 1.176 705 T CB -0.358 68.562 68.868 0.086 0.000 0.973 705 T HN 0.251 nan 8.240 nan 0.000 0.519 706 P HA 0.036 nan 4.420 nan 0.000 0.275 706 P C 0.382 177.713 177.300 0.052 0.000 1.227 706 P CA -0.571 62.557 63.100 0.046 0.000 0.781 706 P CB 0.664 32.381 31.700 0.029 0.000 0.906 707 Y N 3.979 124.281 120.300 0.003 0.000 2.241 707 Y HA -0.192 4.362 4.550 0.007 0.000 0.286 707 Y C 2.295 178.217 175.900 0.036 0.000 1.166 707 Y CA 2.353 60.463 58.100 0.017 0.000 1.203 707 Y CB -1.158 37.315 38.460 0.021 0.000 0.977 707 Y HN 0.482 nan 8.280 nan 0.000 0.529 708 G N -0.031 108.632 108.800 -0.228 0.000 2.446 708 G HA2 -0.291 3.672 3.960 0.004 0.000 0.217 708 G HA3 -0.291 3.672 3.960 0.004 0.000 0.217 708 G C 1.542 176.286 174.900 -0.260 0.000 1.168 708 G CA 1.061 45.981 45.100 -0.299 0.000 0.771 708 G HN 0.538 nan 8.290 nan 0.000 0.551 709 E N -0.168 119.940 120.200 -0.153 0.000 2.077 709 E HA -0.080 4.273 4.350 0.004 0.000 0.193 709 E C 2.800 179.309 176.600 -0.151 0.000 0.989 709 E CA 0.996 57.335 56.400 -0.103 0.000 0.800 709 E CB -0.096 29.594 29.700 -0.017 0.000 0.746 709 E HN 0.335 nan 8.360 nan 0.000 0.452 710 V N 1.706 121.493 119.914 -0.211 0.000 2.223 710 V HA -0.268 3.855 4.120 0.004 0.000 0.244 710 V C 2.455 178.390 176.094 -0.265 0.000 1.045 710 V CA 1.931 64.087 62.300 -0.240 0.000 1.000 710 V CB -0.658 31.102 31.823 -0.104 0.000 0.635 710 V HN 0.263 nan 8.190 nan 0.000 0.445 711 E N 0.807 120.809 120.200 -0.329 0.000 2.065 711 E HA -0.306 4.046 4.350 0.004 0.000 0.201 711 E C 2.245 178.683 176.600 -0.270 0.000 1.016 711 E CA 2.181 58.378 56.400 -0.340 0.000 0.818 711 E CB -0.395 28.952 29.700 -0.587 0.000 0.749 711 E HN 0.513 nan 8.360 nan 0.000 0.453 712 A N 1.045 123.724 122.820 -0.235 0.000 1.883 712 A HA -0.187 4.136 4.320 0.004 0.000 0.217 712 A C 2.337 179.844 177.584 -0.128 0.000 1.186 712 A CA 1.657 53.600 52.037 -0.155 0.000 0.624 712 A CB -0.808 18.118 19.000 -0.124 0.000 0.822 712 A HN 0.344 nan 8.150 nan 0.000 0.444 713 L N -0.029 121.122 121.223 -0.121 0.000 1.994 713 L HA -0.129 4.213 4.340 0.004 0.000 0.208 713 L C 2.494 179.300 176.870 -0.108 0.000 1.071 713 L CA 2.061 56.856 54.840 -0.073 0.000 0.745 713 L CB -0.576 41.475 42.059 -0.012 0.000 0.892 713 L HN 0.190 nan 8.230 nan 0.000 0.431 714 V N 0.122 119.917 119.914 -0.199 0.000 2.252 714 V HA -0.366 3.756 4.120 0.004 0.000 0.249 714 V C 2.724 178.712 176.094 -0.176 0.000 1.056 714 V CA 2.344 64.500 62.300 -0.239 0.000 1.022 714 V CB -0.920 30.597 31.823 -0.511 0.000 0.641 714 V HN 0.577 nan 8.190 nan 0.000 0.445 715 R N 0.331 120.718 120.500 -0.187 0.000 2.082 715 R HA -0.252 4.090 4.340 0.004 0.000 0.234 715 R C 2.448 178.691 176.300 -0.095 0.000 1.136 715 R CA 2.318 58.335 56.100 -0.138 0.000 0.935 715 R CB -0.585 29.639 30.300 -0.127 0.000 0.842 715 R HN 0.660 nan 8.270 nan 0.000 0.430 716 E N -0.183 119.967 120.200 -0.083 0.000 2.065 716 E HA -0.258 4.095 4.350 0.004 0.000 0.201 716 E C 1.597 178.171 176.600 -0.043 0.000 1.016 716 E CA 1.819 58.183 56.400 -0.059 0.000 0.818 716 E CB -0.207 29.463 29.700 -0.050 0.000 0.749 716 E HN 0.559 nan 8.360 nan 0.000 0.453 717 A N 0.546 123.347 122.820 -0.033 0.000 2.123 717 A HA 0.226 4.549 4.320 0.004 0.000 0.214 717 A C 2.247 179.844 177.584 0.022 0.000 1.152 717 A CA 1.059 53.091 52.037 -0.007 0.000 0.728 717 A CB -0.297 18.704 19.000 0.001 0.000 0.814 717 A HN 0.392 nan 8.150 nan 0.000 0.464 718 A N -0.691 122.138 122.820 0.016 0.000 2.093 718 A HA 0.321 4.643 4.320 0.004 0.000 0.222 718 A C 1.618 179.310 177.584 0.180 0.000 1.162 718 A CA 1.739 53.832 52.037 0.093 0.000 0.655 718 A CB -1.084 17.896 19.000 -0.033 0.000 0.805 718 A HN 2.184 nan 8.150 nan 0.000 0.461 719 G N -3.091 105.747 108.800 0.064 0.000 2.619 719 G HA2 0.032 3.995 3.960 0.004 0.000 0.686 719 G HA3 0.032 3.995 3.960 0.004 0.000 0.686 719 G C -1.663 173.203 174.900 -0.057 0.000 1.256 719 G CA -0.348 44.773 45.100 0.034 0.000 0.826 719 G HN 0.037 nan 8.290 nan 0.000 0.619 720 P HA 0.047 nan 4.420 nan 0.000 0.231 720 P C 0.575 177.630 177.300 -0.408 0.000 1.158 720 P CA 1.117 63.992 63.100 -0.375 0.000 0.763 720 P CB -0.042 31.319 31.700 -0.565 0.000 0.805 721 Y N -1.785 118.547 120.300 0.054 0.000 2.658 721 Y HA 0.293 4.845 4.550 0.004 0.000 0.276 721 Y C 0.619 176.556 175.900 0.061 0.000 1.167 721 Y CA -1.451 56.697 58.100 0.080 0.000 1.230 721 Y CB -0.507 38.052 38.460 0.165 0.000 1.144 721 Y HN -0.119 nan 8.280 nan 0.000 0.529 722 L N 1.172 122.393 121.223 -0.003 0.000 2.313 722 L HA 0.219 4.561 4.340 0.004 0.000 0.282 722 L C 1.091 177.830 176.870 -0.218 0.000 1.092 722 L CA 0.480 55.124 54.840 -0.327 0.000 0.831 722 L CB 0.763 42.627 42.059 -0.325 0.000 1.159 722 L HN 0.334 nan 8.230 nan 0.000 0.442 723 E N 2.527 122.574 120.200 -0.255 0.000 2.094 723 E HA 0.069 4.421 4.350 0.004 0.000 0.193 723 E C 0.196 176.698 176.600 -0.164 0.000 0.950 723 E CA 0.213 56.520 56.400 -0.154 0.000 0.842 723 E CB 0.409 30.041 29.700 -0.113 0.000 0.816 723 E HN 0.625 nan 8.360 nan 0.000 0.465 724 S N -0.688 114.881 115.700 -0.219 0.000 2.726 724 S HA 0.634 5.107 4.470 0.004 0.000 0.308 724 S C -1.458 173.053 174.600 -0.147 0.000 1.115 724 S CA -0.728 57.377 58.200 -0.158 0.000 0.965 724 S CB 1.432 64.531 63.200 -0.168 0.000 1.145 724 S HN 0.214 nan 8.310 nan 0.000 0.532 725 L N 1.810 123.016 121.223 -0.029 0.000 3.535 725 L HA 0.647 4.989 4.340 0.004 0.000 0.231 725 L C -1.084 175.915 176.870 0.216 0.000 0.986 725 L CA 0.270 55.154 54.840 0.073 0.000 1.318 725 L CB 0.323 42.382 42.059 0.000 0.000 1.793 725 L HN 0.826 nan 8.230 nan 0.000 0.685 726 A N 3.433 126.423 122.820 0.283 0.000 2.380 726 A HA 0.860 5.183 4.320 0.004 0.000 0.315 726 A C -1.458 176.263 177.584 0.228 0.000 1.101 726 A CA -0.636 51.554 52.037 0.256 0.000 0.771 726 A CB 1.676 20.782 19.000 0.177 0.000 1.287 726 A HN 0.891 nan 8.150 nan 0.000 0.436 727 L N 3.029 124.251 121.223 -0.002 0.000 2.261 727 L HA 0.550 4.893 4.340 0.004 0.000 0.289 727 L C -0.093 176.637 176.870 -0.234 0.000 1.059 727 L CA -0.195 54.416 54.840 -0.381 0.000 0.816 727 L CB -0.052 41.597 42.059 -0.684 0.000 1.191 727 L HN 0.680 nan 8.230 nan 0.000 0.431 728 F N 1.191 120.879 119.950 -0.436 0.000 2.695 728 F HA 0.507 5.036 4.527 0.003 0.000 0.303 728 F C 0.024 175.639 175.800 -0.309 0.000 1.091 728 F CA -0.677 57.102 58.000 -0.369 0.000 1.300 728 F CB -0.000 38.681 39.000 -0.531 0.000 1.071 728 F HN 0.445 nan 8.300 nan 0.000 0.578 729 D N 1.124 121.070 120.400 -0.758 0.000 2.711 729 D HA 0.198 4.840 4.640 0.004 0.000 0.204 729 D C -2.194 173.813 176.300 -0.489 0.000 1.257 729 D CA -0.307 53.346 54.000 -0.578 0.000 0.808 729 D CB 2.197 42.620 40.800 -0.627 0.000 1.780 729 D HN 0.171 nan 8.370 nan 0.000 0.537 730 L N 5.199 126.235 121.223 -0.312 0.000 2.298 730 L HA 0.571 4.913 4.340 0.004 0.000 0.284 730 L C -2.044 174.798 176.870 -0.047 0.000 1.013 730 L CA -0.473 54.238 54.840 -0.216 0.000 0.824 730 L CB 1.091 43.013 42.059 -0.229 0.000 1.221 730 L HN 0.363 nan 8.230 nan 0.000 0.418 731 Y N 4.023 124.219 120.300 -0.173 0.000 2.391 731 Y HA 0.525 5.076 4.550 0.001 0.000 0.341 731 Y C -0.905 174.954 175.900 -0.069 0.000 0.965 731 Y CA -0.703 57.328 58.100 -0.115 0.000 1.067 731 Y CB 1.608 40.003 38.460 -0.109 0.000 1.199 731 Y HN 0.748 nan 8.280 nan 0.000 0.450 732 Q N 4.940 124.420 119.800 -0.534 0.000 2.558 732 Q HA 0.636 4.979 4.340 0.004 0.000 0.252 732 Q C -1.155 174.427 176.000 -0.698 0.000 1.015 732 Q CA -0.381 55.140 55.803 -0.471 0.000 0.720 732 Q CB 0.683 29.295 28.738 -0.210 0.000 1.215 732 Q HN 1.024 nan 8.270 nan 0.000 0.500 733 G N 1.930 110.189 108.800 -0.902 0.000 2.682 733 G HA2 0.395 4.357 3.960 0.004 0.000 0.303 733 G HA3 0.395 4.357 3.960 0.004 0.000 0.303 733 G C -2.366 172.381 174.900 -0.255 0.000 1.341 733 G CA -0.825 43.913 45.100 -0.603 0.000 0.784 733 G HN 0.322 nan 8.290 nan 0.000 0.497 734 P HA -0.076 nan 4.420 nan 0.000 0.216 734 P C -1.157 176.152 177.300 0.014 0.000 1.157 734 P CA 1.700 64.796 63.100 -0.007 0.000 0.880 734 P CB -0.872 30.848 31.700 0.034 0.000 0.791 735 P HA -0.086 nan 4.420 nan 0.000 0.219 735 P C 0.779 178.094 177.300 0.026 0.000 1.145 735 P CA 1.234 64.379 63.100 0.075 0.000 0.813 735 P CB -0.071 31.725 31.700 0.160 0.000 0.771 736 L N -4.034 117.181 121.223 -0.013 0.000 2.502 736 L HA 0.427 4.769 4.340 0.004 0.000 0.253 736 L C -2.435 174.374 176.870 -0.101 0.000 1.070 736 L CA -2.825 51.983 54.840 -0.053 0.000 0.871 736 L CB 1.443 43.477 42.059 -0.043 0.000 1.487 736 L HN -0.437 nan 8.230 nan 0.000 0.408 737 P HA -0.158 nan 4.420 nan 0.000 0.264 737 P C -0.731 176.514 177.300 -0.092 0.000 1.139 737 P CA 0.637 63.575 63.100 -0.270 0.000 0.754 737 P CB 0.259 31.482 31.700 -0.795 0.000 0.737 738 E N 2.464 122.662 120.200 -0.003 0.000 2.373 738 E HA 0.232 4.585 4.350 0.004 0.000 0.267 738 E C 1.263 177.966 176.600 0.172 0.000 1.032 738 E CA 0.978 57.408 56.400 0.051 0.000 0.889 738 E CB 0.154 29.869 29.700 0.024 0.000 0.984 738 E HN 0.731 nan 8.360 nan 0.000 0.425 739 G N 3.469 112.332 108.800 0.105 0.000 2.160 739 G HA2 -0.239 3.724 3.960 0.004 0.000 0.244 739 G HA3 -0.239 3.724 3.960 0.004 0.000 0.244 739 G C -0.183 174.737 174.900 0.034 0.000 1.022 739 G CA 0.720 45.860 45.100 0.066 0.000 0.741 739 G HN 0.644 nan 8.290 nan 0.000 0.508 740 H N -0.710 118.333 119.070 -0.044 0.000 2.855 740 H HA 0.809 5.367 4.556 0.003 0.000 0.363 740 H C 0.208 175.492 175.328 -0.072 0.000 1.185 740 H CA -0.423 55.605 56.048 -0.032 0.000 1.174 740 H CB 1.484 31.237 29.762 -0.014 0.000 1.857 740 H HN 0.253 nan 8.280 nan 0.000 0.565 741 K N 0.074 120.513 120.400 0.065 0.000 2.482 741 K HA 0.612 4.935 4.320 0.004 0.000 0.257 741 K C -1.049 175.560 176.600 0.015 0.000 0.969 741 K CA -0.951 55.327 56.287 -0.015 0.000 0.842 741 K CB 2.833 35.309 32.500 -0.039 0.000 1.359 741 K HN 0.382 nan 8.250 nan 0.000 0.441 742 S N 1.694 117.388 115.700 -0.010 0.000 2.502 742 S HA 0.546 5.018 4.470 0.004 0.000 0.304 742 S C -1.194 173.371 174.600 -0.057 0.000 1.097 742 S CA -0.771 57.437 58.200 0.012 0.000 1.045 742 S CB 0.441 63.677 63.200 0.059 0.000 1.019 742 S HN 0.447 nan 8.310 nan 0.000 0.481 743 L N 4.044 125.231 121.223 -0.060 0.000 2.294 743 L HA 0.584 4.926 4.340 0.004 0.000 0.283 743 L C 0.316 176.984 176.870 -0.336 0.000 1.015 743 L CA -0.800 53.903 54.840 -0.229 0.000 0.831 743 L CB 1.376 43.376 42.059 -0.098 0.000 1.217 743 L HN 0.775 nan 8.230 nan 0.000 0.420 744 A N 4.196 126.649 122.820 -0.612 0.000 2.444 744 A HA 0.478 4.800 4.320 0.004 0.000 0.287 744 A C -0.773 176.371 177.584 -0.734 0.000 1.195 744 A CA 0.152 51.671 52.037 -0.864 0.000 0.858 744 A CB -0.483 17.443 19.000 -1.789 0.000 1.117 744 A HN 0.484 nan 8.150 nan 0.000 0.521 745 F N 1.505 121.499 119.950 0.074 0.000 2.426 745 F HA 0.282 4.814 4.527 0.007 0.000 0.348 745 F C 0.672 176.742 175.800 0.451 0.000 1.124 745 F CA -0.068 58.091 58.000 0.265 0.000 1.008 745 F CB 1.408 40.501 39.000 0.156 0.000 1.139 745 F HN 0.624 nan 8.300 nan 0.000 0.452 746 H N 4.354 123.725 119.070 0.501 0.000 2.604 746 H HA 0.495 5.054 4.556 0.004 0.000 0.306 746 H C -0.847 174.542 175.328 0.102 0.000 1.075 746 H CA -0.717 55.413 56.048 0.137 0.000 1.357 746 H CB 0.946 30.656 29.762 -0.087 0.000 1.426 746 H HN 0.361 nan 8.280 nan 0.000 0.470 747 L N 3.790 125.111 121.223 0.163 0.000 2.333 747 L HA 0.546 4.888 4.340 0.004 0.000 0.269 747 L C -0.215 176.555 176.870 -0.166 0.000 1.010 747 L CA -0.593 54.243 54.840 -0.008 0.000 0.818 747 L CB 1.836 43.934 42.059 0.064 0.000 1.306 747 L HN 0.575 nan 8.230 nan 0.000 0.430 748 R N 1.212 121.502 120.500 -0.350 0.000 2.584 748 R HA 0.654 4.997 4.340 0.004 0.000 0.276 748 R C -1.719 174.333 176.300 -0.414 0.000 1.046 748 R CA -0.612 55.276 56.100 -0.354 0.000 0.906 748 R CB 2.036 32.053 30.300 -0.472 0.000 1.215 748 R HN 0.284 nan 8.270 nan 0.000 0.449 749 F N 0.774 120.694 119.950 -0.049 0.000 2.579 749 F HA 0.676 5.205 4.527 0.004 0.000 0.324 749 F C 0.297 176.110 175.800 0.022 0.000 1.058 749 F CA -0.835 57.176 58.000 0.019 0.000 0.944 749 F CB 2.101 41.133 39.000 0.053 0.000 1.245 749 F HN 0.238 nan 8.300 nan 0.000 0.477 750 R N 0.460 121.090 120.500 0.216 0.000 2.664 750 R HA 0.248 4.590 4.340 0.004 0.000 0.260 750 R C -2.216 174.126 176.300 0.070 0.000 1.062 750 R CA -0.730 55.443 56.100 0.123 0.000 0.902 750 R CB 1.558 31.913 30.300 0.091 0.000 1.258 750 R HN 0.787 nan 8.270 nan 0.000 0.465 751 H N 4.028 123.028 119.070 -0.118 0.000 2.489 751 H HA 0.352 4.911 4.556 0.004 0.000 0.343 751 H C -2.170 173.080 175.328 -0.130 0.000 1.086 751 H CA -2.160 53.748 56.048 -0.232 0.000 1.198 751 H CB 2.398 31.875 29.762 -0.475 0.000 1.490 751 H HN 0.340 nan 8.280 nan 0.000 0.504 752 P HA -0.144 nan 4.420 nan 0.000 0.213 752 P C 1.111 178.534 177.300 0.204 0.000 1.170 752 P CA 1.791 64.987 63.100 0.159 0.000 0.902 752 P CB 0.456 32.200 31.700 0.074 0.000 0.789 753 K N -1.278 119.270 120.400 0.247 0.000 2.352 753 K HA 0.042 4.365 4.320 0.004 0.000 0.194 753 K C 1.145 177.530 176.600 -0.358 0.000 1.038 753 K CA 0.144 56.456 56.287 0.042 0.000 1.023 753 K CB 0.409 32.956 32.500 0.079 0.000 0.840 753 K HN 0.116 nan 8.250 nan 0.000 0.519 754 R N -1.765 118.259 120.500 -0.794 0.000 3.145 754 R HA 0.374 4.716 4.340 0.004 0.000 0.253 754 R C -0.961 174.826 176.300 -0.855 0.000 1.289 754 R CA -0.926 54.627 56.100 -0.912 0.000 1.030 754 R CB 0.667 30.618 30.300 -0.581 0.000 1.387 754 R HN -0.290 nan 8.270 nan 0.000 0.466 755 T N 1.104 115.401 114.554 -0.428 0.000 2.943 755 T HA 0.447 4.800 4.350 0.004 0.000 0.284 755 T C -0.166 174.412 174.700 -0.202 0.000 1.015 755 T CA -0.749 61.228 62.100 -0.204 0.000 1.042 755 T CB 0.967 69.806 68.868 -0.049 0.000 1.055 755 T HN 0.221 nan 8.240 nan 0.000 0.500 756 L N 2.722 123.874 121.223 -0.118 0.000 2.290 756 L HA 0.436 4.779 4.340 0.004 0.000 0.284 756 L C 0.671 177.493 176.870 -0.079 0.000 1.078 756 L CA -0.728 54.042 54.840 -0.115 0.000 0.815 756 L CB 0.674 42.687 42.059 -0.077 0.000 1.162 756 L HN 0.469 nan 8.230 nan 0.000 0.435 757 R N 1.647 122.096 120.500 -0.084 0.000 2.641 757 R HA 0.033 4.376 4.340 0.004 0.000 0.269 757 R C 0.656 176.922 176.300 -0.057 0.000 1.074 757 R CA -0.564 55.500 56.100 -0.061 0.000 1.133 757 R CB 0.635 30.903 30.300 -0.055 0.000 1.029 757 R HN 0.521 nan 8.270 nan 0.000 0.488 758 D N 2.120 122.494 120.400 -0.044 0.000 2.311 758 D HA -0.180 4.463 4.640 0.004 0.000 0.212 758 D C 1.380 177.647 176.300 -0.054 0.000 0.972 758 D CA 1.490 55.464 54.000 -0.044 0.000 0.887 758 D CB 0.287 41.071 40.800 -0.027 0.000 0.915 758 D HN 0.678 nan 8.370 nan 0.000 0.497 759 E N 1.026 121.197 120.200 -0.048 0.000 2.086 759 E HA -0.104 4.249 4.350 0.004 0.000 0.190 759 E C 1.665 178.231 176.600 -0.057 0.000 0.975 759 E CA 0.482 56.856 56.400 -0.043 0.000 0.813 759 E CB -0.399 29.284 29.700 -0.028 0.000 0.768 759 E HN 0.187 nan 8.360 nan 0.000 0.457 760 E N 1.060 121.226 120.200 -0.057 0.000 2.118 760 E HA -0.165 4.188 4.350 0.004 0.000 0.195 760 E C 2.266 178.786 176.600 -0.134 0.000 0.992 760 E CA 1.559 57.929 56.400 -0.050 0.000 0.804 760 E CB -0.041 29.644 29.700 -0.025 0.000 0.741 760 E HN 0.142 nan 8.360 nan 0.000 0.458 761 V N 1.714 121.496 119.914 -0.219 0.000 2.427 761 V HA -0.202 3.921 4.120 0.004 0.000 0.248 761 V C 2.105 177.991 176.094 -0.346 0.000 1.051 761 V CA 1.554 63.582 62.300 -0.453 0.000 1.048 761 V CB -0.381 31.216 31.823 -0.377 0.000 0.666 761 V HN 0.190 nan 8.190 nan 0.000 0.456 762 E N -0.104 119.993 120.200 -0.172 0.000 2.072 762 E HA -0.165 4.187 4.350 0.004 0.000 0.190 762 E C 2.232 178.789 176.600 -0.073 0.000 0.982 762 E CA 0.687 57.028 56.400 -0.098 0.000 0.803 762 E CB -0.328 29.340 29.700 -0.055 0.000 0.755 762 E HN 0.591 nan 8.360 nan 0.000 0.453 763 E N 0.804 120.965 120.200 -0.065 0.000 2.204 763 E HA -0.126 4.227 4.350 0.004 0.000 0.195 763 E C 1.686 178.271 176.600 -0.025 0.000 0.990 763 E CA 0.892 57.274 56.400 -0.030 0.000 0.821 763 E CB 0.162 29.854 29.700 -0.013 0.000 0.750 763 E HN 0.143 nan 8.360 nan 0.000 0.477 764 A N 0.691 123.468 122.820 -0.071 0.000 1.903 764 A HA -0.073 4.249 4.320 0.004 0.000 0.213 764 A C 2.388 179.987 177.584 0.025 0.000 1.185 764 A CA 1.247 53.269 52.037 -0.025 0.000 0.628 764 A CB -0.662 18.250 19.000 -0.146 0.000 0.830 764 A HN 0.235 nan 8.150 nan 0.000 0.446 765 V N -2.300 117.597 119.914 -0.029 0.000 2.626 765 V HA -0.121 4.002 4.120 0.004 0.000 0.252 765 V C 2.068 178.185 176.094 0.038 0.000 1.067 765 V CA 2.366 64.693 62.300 0.045 0.000 1.081 765 V CB -0.992 30.849 31.823 0.029 0.000 0.686 765 V HN 0.325 nan 8.190 nan 0.000 0.468 766 S N 0.950 116.659 115.700 0.015 0.000 2.348 766 S HA -0.162 4.310 4.470 0.004 0.000 0.221 766 S C 2.080 176.695 174.600 0.026 0.000 1.033 766 S CA 2.155 60.366 58.200 0.018 0.000 1.010 766 S CB -0.424 62.780 63.200 0.007 0.000 0.891 766 S HN 0.659 nan 8.310 nan 0.000 0.442 767 R N 0.554 121.070 120.500 0.027 0.000 2.127 767 R HA -0.050 4.292 4.340 0.004 0.000 0.238 767 R C 1.867 178.187 176.300 0.033 0.000 1.134 767 R CA 1.197 57.313 56.100 0.027 0.000 0.975 767 R CB -0.511 29.805 30.300 0.028 0.000 0.865 767 R HN 0.256 nan 8.270 nan 0.000 0.447 768 V N 0.190 120.130 119.914 0.044 0.000 3.510 768 V HA -0.033 4.090 4.120 0.004 0.000 0.270 768 V C 1.685 177.807 176.094 0.046 0.000 1.201 768 V CA 1.411 63.735 62.300 0.040 0.000 1.166 768 V CB 0.136 31.992 31.823 0.055 0.000 0.825 768 V HN 0.375 nan 8.190 nan 0.000 0.484 769 A N -0.302 122.546 122.820 0.047 0.000 2.013 769 A HA 0.090 4.412 4.320 0.004 0.000 0.204 769 A C 2.136 179.749 177.584 0.048 0.000 1.262 769 A CA 0.726 52.795 52.037 0.053 0.000 0.800 769 A CB 0.007 19.035 19.000 0.047 0.000 0.909 769 A HN 0.447 nan 8.150 nan 0.000 0.472 770 E N 0.387 120.608 120.200 0.035 0.000 2.016 770 E HA -0.059 4.294 4.350 0.004 0.000 0.190 770 E C 2.021 178.638 176.600 0.027 0.000 0.985 770 E CA 1.051 57.467 56.400 0.026 0.000 0.802 770 E CB -0.213 29.497 29.700 0.017 0.000 0.762 770 E HN 0.455 nan 8.360 nan 0.000 0.448 771 A N 0.668 123.506 122.820 0.029 0.000 2.067 771 A HA -0.105 4.217 4.320 0.004 0.000 0.219 771 A C 2.019 179.641 177.584 0.062 0.000 1.158 771 A CA 0.837 52.892 52.037 0.031 0.000 0.661 771 A CB -0.389 18.625 19.000 0.023 0.000 0.801 771 A HN 0.381 nan 8.150 nan 0.000 0.452 772 L N -0.639 120.634 121.223 0.084 0.000 2.179 772 L HA 0.049 4.392 4.340 0.004 0.000 0.208 772 L C 2.299 179.270 176.870 0.169 0.000 1.096 772 L CA 1.536 56.473 54.840 0.162 0.000 0.779 772 L CB -0.381 41.756 42.059 0.130 0.000 0.922 772 L HN 0.309 nan 8.230 nan 0.000 0.443 773 R N -0.766 119.782 120.500 0.081 0.000 2.100 773 R HA 0.109 4.452 4.340 0.004 0.000 0.220 773 R C 2.206 178.486 176.300 -0.033 0.000 1.091 773 R CA 0.882 57.003 56.100 0.036 0.000 0.986 773 R CB -0.515 29.804 30.300 0.031 0.000 0.888 773 R HN 0.406 nan 8.270 nan 0.000 0.444 774 A N 1.259 124.065 122.820 -0.024 0.000 2.084 774 A HA -0.140 4.183 4.320 0.004 0.000 0.221 774 A C 1.731 179.246 177.584 -0.115 0.000 1.161 774 A CA 1.235 53.242 52.037 -0.051 0.000 0.653 774 A CB -0.184 18.800 19.000 -0.025 0.000 0.802 774 A HN 0.077 nan 8.150 nan 0.000 0.457 775 R N -1.258 119.138 120.500 -0.174 0.000 2.359 775 R HA 0.167 4.510 4.340 0.004 0.000 0.231 775 R C 1.024 176.835 176.300 -0.815 0.000 0.913 775 R CA 0.640 56.500 56.100 -0.400 0.000 1.075 775 R CB -0.529 29.605 30.300 -0.277 0.000 1.087 775 R HN 0.806 nan 8.270 nan 0.000 0.515 776 G N 1.378 109.884 108.800 -0.490 0.000 2.212 776 G HA2 -0.259 3.704 3.960 0.004 0.000 0.255 776 G HA3 -0.259 3.704 3.960 0.004 0.000 0.255 776 G C -0.405 174.252 174.900 -0.405 0.000 1.062 776 G CA -0.109 44.745 45.100 -0.409 0.000 0.815 776 G HN 0.178 nan 8.290 nan 0.000 0.497 777 F N -0.402 119.570 119.950 0.038 0.000 2.577 777 F HA 0.807 5.336 4.527 0.005 0.000 0.318 777 F C 0.759 176.588 175.800 0.049 0.000 1.065 777 F CA -0.859 57.172 58.000 0.052 0.000 0.929 777 F CB 1.911 40.938 39.000 0.046 0.000 1.237 777 F HN 0.286 nan 8.300 nan 0.000 0.468 778 G N 0.661 109.621 108.800 0.266 0.000 2.600 778 G HA2 0.746 4.708 3.960 0.004 0.000 0.303 778 G HA3 0.746 4.708 3.960 0.004 0.000 0.303 778 G C -1.870 173.115 174.900 0.142 0.000 1.253 778 G CA -1.036 44.159 45.100 0.159 0.000 0.974 778 G HN 0.752 nan 8.290 nan 0.000 0.483 779 L N -1.272 120.017 121.223 0.110 0.000 2.406 779 L HA 0.603 4.946 4.340 0.004 0.000 0.270 779 L C 0.931 177.856 176.870 0.091 0.000 0.982 779 L CA -1.090 53.814 54.840 0.106 0.000 0.843 779 L CB 2.301 44.421 42.059 0.103 0.000 1.225 779 L HN 0.513 nan 8.230 nan 0.000 0.412 780 R N 2.658 123.213 120.500 0.092 0.000 2.055 780 R HA 0.112 4.455 4.340 0.004 0.000 0.228 780 R C 1.098 177.449 176.300 0.086 0.000 1.143 780 R CA 0.982 57.130 56.100 0.080 0.000 0.945 780 R CB -0.095 30.250 30.300 0.076 0.000 0.841 780 R HN 0.830 nan 8.270 nan 0.000 0.429 781 G N 0.514 109.377 108.800 0.105 0.000 2.503 781 G HA2 0.299 4.261 3.960 0.004 0.000 0.257 781 G HA3 0.299 4.261 3.960 0.004 0.000 0.257 781 G C -0.056 174.915 174.900 0.119 0.000 1.214 781 G CA -0.329 44.843 45.100 0.119 0.000 0.839 781 G HN 0.170 nan 8.290 nan 0.000 0.559 782 L N -0.344 120.945 121.223 0.111 0.000 3.888 782 L HA 0.409 4.751 4.340 0.004 0.000 0.369 782 L C -0.514 176.414 176.870 0.096 0.000 1.200 782 L CA 0.099 54.998 54.840 0.098 0.000 1.268 782 L CB 0.452 42.556 42.059 0.073 0.000 1.573 782 L HN 0.499 nan 8.230 nan 0.000 0.632 783 D N -1.199 119.266 120.400 0.107 0.000 2.622 783 D HA 0.351 4.993 4.640 0.004 0.000 0.255 783 D C -1.156 175.214 176.300 0.118 0.000 1.246 783 D CA -0.152 53.908 54.000 0.100 0.000 0.795 783 D CB 2.718 43.560 40.800 0.070 0.000 1.369 783 D HN -0.210 nan 8.370 nan 0.000 0.425 784 T N 0.598 115.218 114.554 0.111 0.000 2.885 784 T HA 0.664 5.017 4.350 0.004 0.000 0.285 784 T C -2.064 172.676 174.700 0.067 0.000 1.019 784 T CA -1.059 61.108 62.100 0.111 0.000 1.010 784 T CB 1.205 70.161 68.868 0.148 0.000 1.022 784 T HN 0.232 nan 8.240 nan 0.000 0.466 785 P HA 0.000 nan 4.420 nan 0.000 0.216 785 P CA 0.000 63.137 63.100 0.062 0.000 0.800 785 P CB 0.000 31.714 31.700 0.024 0.000 0.726