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 2pf4_1_D DATA FIRST_RESID 13 DATA SEQUENCE IAVLIDELRN EDVQLRLNSI KKLSTIALAL GVERTRSELL PFLTDTIYDE DATA SEQUENCE DEVLLALAEQ LGTFTTLVGG PEYVHCLLPP LESLATVEET VVRDKAVESL DATA SEQUENCE RAISHEHSPS DLEAHFVPLV KRLAGGDWFT SRTSACGLFS VCYPRVSSAV DATA SEQUENCE KAELRQYFRN LCSDDTPMVR RAAASKLGEF AKVLELDNVK SEIIPMFSNL DATA SEQUENCE ASDEQDSVRL LAVEACVNIA QLLPQEDLEA LVMPTLRQAA EDKSWRVRYM DATA SEQUENCE VADKFTELQK AVGPEITKTD LVPAFQNLMK DCEAEVRAAA SHKVKEFCEN DATA SEQUENCE LSADCRENVI MTQILPCIKE LVSDANQHVK SALASVIMGL SPILGKDNTI DATA SEQUENCE EHLLPLFLAQ LKDECPEVRL NIISNLDCVN EVIGIRQLSQ SLLPAIVELA DATA SEQUENCE EDAKWRVRLA IIEYMPLLAG QLGVEFFDEK LNSLCMAWLV DHVYAIREAA DATA SEQUENCE TSNLKKLVEK FGKEWAHATI IPKVLAMSGD PNYLHRMTTL FCINVLSEVC DATA SEQUENCE GQDITTKHML PTVLRMAGDP VANVRFNVAK SLQKIGPILD NSTLQSEVKP DATA SEQUENCE ILEKLTQDQD VDVKYFAQEA LTVLSLA 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.038 176.117 -0.132 0.000 1.063 13 I CA 0.000 61.170 61.300 -0.216 0.000 1.566 13 I CB 0.000 37.860 38.000 -0.233 0.000 1.214 14 A N 0.608 123.392 122.820 -0.060 0.000 1.908 14 A HA -0.116 4.186 4.320 -0.030 0.000 0.218 14 A C 2.160 179.735 177.584 -0.016 0.000 1.181 14 A CA 2.471 54.497 52.037 -0.018 0.000 0.627 14 A CB -0.761 18.234 19.000 -0.009 0.000 0.818 14 A HN 0.205 nan 8.150 nan 0.000 0.445 15 V N 0.034 119.928 119.914 -0.032 0.000 2.358 15 V HA -0.210 3.892 4.120 -0.030 0.000 0.246 15 V C 2.450 178.528 176.094 -0.026 0.000 1.047 15 V CA 1.633 63.918 62.300 -0.024 0.000 1.035 15 V CB -0.832 30.974 31.823 -0.028 0.000 0.658 15 V HN 0.598 nan 8.190 nan 0.000 0.452 16 L N -0.221 120.962 121.223 -0.066 0.000 2.017 16 L HA -0.153 4.169 4.340 -0.030 0.000 0.208 16 L C 2.370 179.244 176.870 0.006 0.000 1.073 16 L CA 2.147 56.938 54.840 -0.081 0.000 0.745 16 L CB -0.360 41.563 42.059 -0.226 0.000 0.894 16 L HN 0.276 nan 8.230 nan 0.000 0.432 17 I N 0.319 120.919 120.570 0.050 0.000 2.052 17 I HA -0.389 3.764 4.170 -0.030 0.000 0.235 17 I C 2.353 178.532 176.117 0.105 0.000 1.046 17 I CA 1.893 63.306 61.300 0.188 0.000 1.308 17 I CB -0.663 37.453 38.000 0.193 0.000 1.031 17 I HN 0.307 nan 8.210 nan 0.000 0.395 18 D N 1.352 121.789 120.400 0.062 0.000 2.192 18 D HA -0.306 4.316 4.640 -0.030 0.000 0.189 18 D C 1.874 178.196 176.300 0.036 0.000 1.007 18 D CA 2.253 56.277 54.000 0.041 0.000 0.859 18 D CB -0.181 40.633 40.800 0.024 0.000 0.936 18 D HN 0.646 nan 8.370 nan 0.000 0.447 19 E N -1.042 119.177 120.200 0.031 0.000 2.489 19 E HA -0.010 4.322 4.350 -0.030 0.000 0.193 19 E C 1.213 177.834 176.600 0.035 0.000 1.057 19 E CA -0.075 56.341 56.400 0.026 0.000 0.866 19 E CB -0.014 29.695 29.700 0.015 0.000 0.916 19 E HN 0.243 nan 8.360 nan 0.000 0.500 20 L N 1.146 122.401 121.223 0.055 0.000 2.629 20 L HA 0.156 4.478 4.340 -0.030 0.000 0.230 20 L C 1.311 178.212 176.870 0.052 0.000 1.151 20 L CA 0.302 55.181 54.840 0.063 0.000 0.924 20 L CB -0.060 42.063 42.059 0.107 0.000 1.137 20 L HN 0.134 nan 8.230 nan 0.000 0.457 21 R N -1.534 118.991 120.500 0.042 0.000 2.207 21 R HA 0.365 4.688 4.340 -0.030 0.000 0.180 21 R C 0.681 176.996 176.300 0.025 0.000 1.445 21 R CA 0.034 56.153 56.100 0.032 0.000 1.217 21 R CB -0.763 29.556 30.300 0.031 0.000 1.135 21 R HN 0.064 nan 8.270 nan 0.000 0.481 22 N N 0.666 119.380 118.700 0.022 0.000 1.192 22 N HA -0.248 4.475 4.740 -0.030 0.000 0.127 22 N C -0.517 175.002 175.510 0.015 0.000 0.811 22 N CA 1.924 54.985 53.050 0.017 0.000 0.897 22 N CB -1.064 37.432 38.487 0.016 0.000 1.110 22 N HN 0.247 nan 8.380 nan 0.000 0.573 23 E N 1.569 121.777 120.200 0.013 0.000 2.250 23 E HA 0.263 4.596 4.350 -0.030 0.000 0.265 23 E C -0.877 175.731 176.600 0.013 0.000 1.033 23 E CA -0.495 55.913 56.400 0.012 0.000 0.888 23 E CB 0.323 30.029 29.700 0.010 0.000 1.151 23 E HN 0.473 nan 8.360 nan 0.000 0.412 24 D N 1.386 121.794 120.400 0.013 0.000 2.385 24 D HA 0.042 4.664 4.640 -0.030 0.000 0.260 24 D C -0.301 176.007 176.300 0.013 0.000 1.326 24 D CA 0.046 54.055 54.000 0.014 0.000 1.023 24 D CB -0.397 40.412 40.800 0.014 0.000 1.083 24 D HN -0.004 nan 8.370 nan 0.000 0.517 25 V N 1.180 121.103 119.914 0.014 0.000 3.166 25 V HA 0.192 4.294 4.120 -0.030 0.000 0.317 25 V C 0.754 176.856 176.094 0.014 0.000 1.136 25 V CA -0.974 61.334 62.300 0.013 0.000 1.035 25 V CB 1.866 33.695 31.823 0.011 0.000 1.110 25 V HN 0.199 nan 8.190 nan 0.000 0.450 26 Q N 1.206 121.014 119.800 0.013 0.000 2.228 26 Q HA 0.273 4.595 4.340 -0.030 0.000 0.211 26 Q C 0.794 176.802 176.000 0.013 0.000 0.890 26 Q CA 0.182 55.993 55.803 0.013 0.000 0.953 26 Q CB -0.362 28.383 28.738 0.012 0.000 1.053 26 Q HN 0.772 nan 8.270 nan 0.000 0.471 27 L N -2.269 118.961 121.223 0.013 0.000 2.688 27 L HA 0.368 4.690 4.340 -0.030 0.000 0.234 27 L C 1.566 178.445 176.870 0.014 0.000 1.192 27 L CA 0.014 54.861 54.840 0.012 0.000 0.984 27 L CB -0.025 42.040 42.059 0.011 0.000 1.232 27 L HN 0.010 nan 8.230 nan 0.000 0.465 28 R N -0.258 120.252 120.500 0.017 0.000 2.254 28 R HA 0.113 4.435 4.340 -0.030 0.000 0.193 28 R C 1.876 178.187 176.300 0.019 0.000 0.929 28 R CA -0.069 56.044 56.100 0.020 0.000 1.038 28 R CB -0.200 30.115 30.300 0.024 0.000 1.009 28 R HN 0.385 nan 8.270 nan 0.000 0.512 29 L N 1.826 123.059 121.223 0.016 0.000 2.093 29 L HA -0.030 4.293 4.340 -0.030 0.000 0.208 29 L C 0.553 177.432 176.870 0.016 0.000 1.085 29 L CA 1.955 56.804 54.840 0.015 0.000 0.755 29 L CB -0.978 41.089 42.059 0.014 0.000 0.904 29 L HN 0.193 nan 8.230 nan 0.000 0.435 30 N N -0.087 118.621 118.700 0.014 0.000 2.166 30 N HA -0.175 4.547 4.740 -0.030 0.000 0.186 30 N C 2.068 177.585 175.510 0.013 0.000 1.019 30 N CA 1.508 54.566 53.050 0.013 0.000 0.856 30 N CB -0.358 38.135 38.487 0.011 0.000 0.993 30 N HN 0.351 nan 8.380 nan 0.000 0.426 31 S N 0.181 115.889 115.700 0.013 0.000 2.368 31 S HA -0.000 4.452 4.470 -0.030 0.000 0.224 31 S C 1.795 176.403 174.600 0.014 0.000 1.029 31 S CA 0.459 58.666 58.200 0.012 0.000 0.988 31 S CB -0.229 62.980 63.200 0.014 0.000 0.838 31 S HN 0.150 nan 8.310 nan 0.000 0.462 32 I N 2.014 122.595 120.570 0.018 0.000 2.423 32 I HA -0.129 4.023 4.170 -0.030 0.000 0.254 32 I C 2.080 178.216 176.117 0.032 0.000 1.151 32 I CA 1.388 62.701 61.300 0.021 0.000 1.421 32 I CB -0.750 37.261 38.000 0.018 0.000 1.079 32 I HN 0.395 nan 8.210 nan 0.000 0.431 33 K N 0.658 121.077 120.400 0.030 0.000 2.155 33 K HA -0.133 4.170 4.320 -0.030 0.000 0.203 33 K C 1.744 178.368 176.600 0.040 0.000 1.052 33 K CA 0.665 56.975 56.287 0.038 0.000 0.948 33 K CB -0.289 32.227 32.500 0.026 0.000 0.728 33 K HN 0.155 nan 8.250 nan 0.000 0.448 34 K N 1.340 121.756 120.400 0.026 0.000 2.589 34 K HA -0.089 4.214 4.320 -0.030 0.000 0.195 34 K C 1.730 178.352 176.600 0.037 0.000 1.040 34 K CA 0.151 56.449 56.287 0.019 0.000 0.950 34 K CB -0.294 32.208 32.500 0.003 0.000 0.781 34 K HN -0.045 nan 8.250 nan 0.000 0.486 35 L N 0.676 121.945 121.223 0.076 0.000 1.990 35 L HA -0.238 4.084 4.340 -0.030 0.000 0.213 35 L C 1.504 178.512 176.870 0.230 0.000 1.072 35 L CA 2.024 56.956 54.840 0.154 0.000 0.755 35 L CB -0.759 41.426 42.059 0.211 0.000 0.889 35 L HN 0.249 nan 8.230 nan 0.000 0.432 36 S N -3.369 112.419 115.700 0.147 0.000 2.851 36 S HA 0.045 4.497 4.470 -0.030 0.000 0.227 36 S C 1.013 175.568 174.600 -0.076 0.000 0.958 36 S CA 0.596 58.741 58.200 -0.091 0.000 0.990 36 S CB -0.454 62.565 63.200 -0.303 0.000 0.790 36 S HN 0.502 nan 8.310 nan 0.000 0.509 37 T N 0.590 115.135 114.554 -0.015 0.000 2.966 37 T HA 0.352 4.684 4.350 -0.030 0.000 0.254 37 T C 1.387 176.078 174.700 -0.015 0.000 0.961 37 T CA -0.188 61.897 62.100 -0.025 0.000 0.915 37 T CB -0.193 68.663 68.868 -0.021 0.000 1.186 37 T HN 0.380 nan 8.240 nan 0.000 0.505 38 I N 1.999 122.570 120.570 0.001 0.000 2.500 38 I HA 0.087 4.239 4.170 -0.030 0.000 0.252 38 I C 2.842 178.961 176.117 0.004 0.000 1.142 38 I CA 0.844 62.137 61.300 -0.011 0.000 1.451 38 I CB -0.401 37.581 38.000 -0.031 0.000 1.093 38 I HN 0.181 nan 8.210 nan 0.000 0.430 39 A N 0.933 123.783 122.820 0.050 0.000 2.121 39 A HA 0.024 4.326 4.320 -0.030 0.000 0.218 39 A C 1.966 179.549 177.584 -0.003 0.000 1.154 39 A CA 1.065 53.144 52.037 0.069 0.000 0.679 39 A CB -0.542 18.566 19.000 0.180 0.000 0.795 39 A HN 0.459 nan 8.150 nan 0.000 0.458 40 L N -1.443 119.764 121.223 -0.027 0.000 2.872 40 L HA 0.305 4.628 4.340 -0.030 0.000 0.245 40 L C 1.748 178.601 176.870 -0.029 0.000 1.211 40 L CA 0.311 55.128 54.840 -0.037 0.000 1.013 40 L CB 0.256 42.285 42.059 -0.051 0.000 1.326 40 L HN 0.387 nan 8.230 nan 0.000 0.525 41 A N -0.025 122.781 122.820 -0.025 0.000 1.993 41 A HA 0.479 4.781 4.320 -0.030 0.000 0.202 41 A C 0.880 178.449 177.584 -0.025 0.000 1.461 41 A CA 0.392 52.414 52.037 -0.025 0.000 0.824 41 A CB -0.098 18.886 19.000 -0.028 0.000 1.024 41 A HN 0.080 nan 8.150 nan 0.000 0.507 42 L N 0.577 121.784 121.223 -0.027 0.000 2.349 42 L HA 0.670 4.992 4.340 -0.030 0.000 0.275 42 L C 1.402 178.257 176.870 -0.025 0.000 1.115 42 L CA -0.112 54.712 54.840 -0.026 0.000 0.820 42 L CB -0.952 41.089 42.059 -0.031 0.000 1.135 42 L HN 0.627 nan 8.230 nan 0.000 0.445 43 G N 1.258 110.043 108.800 -0.025 0.000 2.480 43 G HA2 0.119 4.061 3.960 -0.030 0.000 0.169 43 G HA3 0.119 4.061 3.960 -0.030 0.000 0.169 43 G C 1.085 175.968 174.900 -0.028 0.000 1.566 43 G CA 2.266 47.351 45.100 -0.025 0.000 0.887 43 G HN 2.028 nan 8.290 nan 0.000 0.423 44 V N -3.068 116.826 119.914 -0.034 0.000 3.253 44 V HA 0.450 4.552 4.120 -0.030 0.000 0.320 44 V C 1.140 177.181 176.094 -0.088 0.000 1.442 44 V CA 0.393 62.667 62.300 -0.044 0.000 1.097 44 V CB 0.609 32.417 31.823 -0.025 0.000 1.008 44 V HN 0.392 nan 8.190 nan 0.000 0.463 45 E N 0.958 121.110 120.200 -0.080 0.000 2.279 45 E HA 0.225 4.558 4.350 -0.030 0.000 0.199 45 E C 1.844 178.389 176.600 -0.092 0.000 0.893 45 E CA 0.146 56.482 56.400 -0.107 0.000 0.978 45 E CB 0.232 29.891 29.700 -0.067 0.000 0.964 45 E HN 0.462 nan 8.360 nan 0.000 0.486 46 R N 1.260 121.725 120.500 -0.058 0.000 2.276 46 R HA -0.009 4.313 4.340 -0.030 0.000 0.203 46 R C 2.356 178.630 176.300 -0.043 0.000 1.017 46 R CA 1.404 57.478 56.100 -0.045 0.000 1.010 46 R CB -0.248 30.032 30.300 -0.032 0.000 0.900 46 R HN 0.214 nan 8.270 nan 0.000 0.469 47 T N -0.739 113.789 114.554 -0.043 0.000 2.851 47 T HA -0.148 4.184 4.350 -0.030 0.000 0.262 47 T C 1.994 176.669 174.700 -0.042 0.000 1.043 47 T CA 0.775 62.859 62.100 -0.026 0.000 1.140 47 T CB -0.048 68.830 68.868 0.017 0.000 0.872 47 T HN 0.202 nan 8.240 nan 0.000 0.446 48 R N 1.129 121.581 120.500 -0.080 0.000 2.189 48 R HA 0.013 4.335 4.340 -0.030 0.000 0.223 48 R C 2.233 178.483 176.300 -0.085 0.000 1.092 48 R CA 1.579 57.610 56.100 -0.115 0.000 0.989 48 R CB -0.196 29.961 30.300 -0.238 0.000 0.876 48 R HN 0.621 nan 8.270 nan 0.000 0.457 49 S N -1.838 113.824 115.700 -0.065 0.000 2.505 49 S HA 0.105 4.557 4.470 -0.030 0.000 0.216 49 S C 1.378 175.974 174.600 -0.008 0.000 1.018 49 S CA 0.004 58.183 58.200 -0.035 0.000 0.911 49 S CB 0.691 63.868 63.200 -0.037 0.000 0.818 49 S HN 0.305 nan 8.310 nan 0.000 0.497 50 E N 0.471 120.667 120.200 -0.007 0.000 2.475 50 E HA 0.396 4.728 4.350 -0.030 0.000 0.205 50 E C 1.436 178.057 176.600 0.035 0.000 0.822 50 E CA 0.129 56.539 56.400 0.018 0.000 1.240 50 E CB -0.375 29.326 29.700 0.002 0.000 1.222 50 E HN 0.288 nan 8.360 nan 0.000 0.581 51 L N 0.335 121.552 121.223 -0.010 0.000 2.068 51 L HA 0.138 4.461 4.340 -0.030 0.000 0.204 51 L C 1.955 178.836 176.870 0.019 0.000 1.076 51 L CA 1.252 56.072 54.840 -0.034 0.000 0.753 51 L CB -0.211 41.806 42.059 -0.070 0.000 0.910 51 L HN 0.196 nan 8.230 nan 0.000 0.439 52 L N -0.400 120.813 121.223 -0.017 0.000 2.093 52 L HA -0.113 4.209 4.340 -0.030 0.000 0.208 52 L C -0.422 176.456 176.870 0.012 0.000 1.085 52 L CA 1.008 55.828 54.840 -0.033 0.000 0.755 52 L CB -1.511 40.509 42.059 -0.065 0.000 0.904 52 L HN 0.265 nan 8.230 nan 0.000 0.435 53 P HA -0.226 nan 4.420 nan 0.000 0.217 53 P C 1.536 178.884 177.300 0.080 0.000 1.150 53 P CA 1.403 64.531 63.100 0.048 0.000 0.832 53 P CB -0.042 31.687 31.700 0.049 0.000 0.787 54 F N -0.126 119.801 119.950 -0.038 0.000 2.146 54 F HA -0.094 4.439 4.527 0.012 0.000 0.298 54 F C 1.503 177.273 175.800 -0.051 0.000 1.096 54 F CA 0.813 58.792 58.000 -0.034 0.000 1.275 54 F CB -0.464 38.517 39.000 -0.033 0.000 1.008 54 F HN -0.261 nan 8.300 nan 0.000 0.480 55 L N 1.014 122.424 121.223 0.312 0.000 2.798 55 L HA 0.053 4.375 4.340 -0.030 0.000 0.254 55 L C 0.824 177.677 176.870 -0.027 0.000 1.176 55 L CA 0.928 55.861 54.840 0.155 0.000 0.991 55 L CB -1.468 40.615 42.059 0.040 0.000 1.225 55 L HN 0.254 nan 8.230 nan 0.000 0.420 56 T N -2.741 111.778 114.554 -0.059 0.000 3.463 56 T HA 0.075 4.407 4.350 -0.030 0.000 0.203 56 T C 0.608 175.254 174.700 -0.090 0.000 0.955 56 T CA -0.055 61.995 62.100 -0.083 0.000 1.230 56 T CB -0.032 68.815 68.868 -0.035 0.000 1.392 56 T HN -0.001 nan 8.240 nan 0.000 0.361 57 D N 1.617 121.998 120.400 -0.032 0.000 2.396 57 D HA 0.156 4.778 4.640 -0.030 0.000 0.255 57 D C 0.767 177.082 176.300 0.026 0.000 1.224 57 D CA 0.560 54.594 54.000 0.057 0.000 0.894 57 D CB -0.061 40.751 40.800 0.019 0.000 0.939 57 D HN 0.319 nan 8.370 nan 0.000 0.506 58 T N -0.958 113.542 114.554 -0.090 0.000 3.048 58 T HA 0.167 4.499 4.350 -0.030 0.000 0.254 58 T C 0.513 175.145 174.700 -0.115 0.000 0.942 58 T CA -0.211 61.788 62.100 -0.169 0.000 0.931 58 T CB 1.046 69.604 68.868 -0.518 0.000 1.220 58 T HN -0.029 nan 8.240 nan 0.000 0.503 59 I N 3.037 123.429 120.570 -0.295 0.000 2.287 59 I HA 0.357 4.509 4.170 -0.030 0.000 0.290 59 I C -1.324 174.408 176.117 -0.642 0.000 1.069 59 I CA -0.960 60.151 61.300 -0.315 0.000 1.237 59 I CB -0.746 37.128 38.000 -0.210 0.000 1.418 59 I HN 0.291 nan 8.210 nan 0.000 0.481 60 Y N 4.040 124.322 120.300 -0.030 0.000 2.488 60 Y HA 0.468 4.991 4.550 -0.045 0.000 0.330 60 Y C 0.029 175.915 175.900 -0.024 0.000 1.013 60 Y CA -0.627 57.455 58.100 -0.031 0.000 1.304 60 Y CB 1.416 39.852 38.460 -0.039 0.000 1.098 60 Y HN 0.457 nan 8.280 nan 0.000 0.498 61 D N 0.689 121.124 120.400 0.058 0.000 2.664 61 D HA 0.173 4.795 4.640 -0.030 0.000 0.292 61 D C -0.887 175.426 176.300 0.022 0.000 1.214 61 D CA -0.728 53.291 54.000 0.032 0.000 0.932 61 D CB 2.176 42.980 40.800 0.006 0.000 1.420 61 D HN 0.386 nan 8.370 nan 0.000 0.471 62 E N 0.250 120.460 120.200 0.017 0.000 2.437 62 E HA -0.012 4.320 4.350 -0.030 0.000 0.263 62 E C 0.271 176.876 176.600 0.008 0.000 1.030 62 E CA 0.254 56.662 56.400 0.013 0.000 0.934 62 E CB 0.461 30.169 29.700 0.013 0.000 0.943 62 E HN 0.309 nan 8.360 nan 0.000 0.444 63 D N 3.304 123.710 120.400 0.009 0.000 2.395 63 D HA -0.081 4.541 4.640 -0.030 0.000 0.250 63 D C 0.594 176.898 176.300 0.008 0.000 1.203 63 D CA 0.230 54.234 54.000 0.007 0.000 0.872 63 D CB 0.165 40.970 40.800 0.008 0.000 0.941 63 D HN 0.673 nan 8.370 nan 0.000 0.504 64 E N -0.020 120.185 120.200 0.008 0.000 2.354 64 E HA -0.055 4.277 4.350 -0.030 0.000 0.203 64 E C 1.650 178.255 176.600 0.008 0.000 0.841 64 E CA -0.024 56.382 56.400 0.010 0.000 1.046 64 E CB 0.408 30.116 29.700 0.012 0.000 1.040 64 E HN 0.017 nan 8.360 nan 0.000 0.504 65 V N 3.379 123.296 119.914 0.005 0.000 2.237 65 V HA -0.244 3.858 4.120 -0.030 0.000 0.245 65 V C 2.550 178.641 176.094 -0.005 0.000 1.046 65 V CA 2.002 64.304 62.300 0.003 0.000 1.007 65 V CB -0.726 31.099 31.823 0.004 0.000 0.638 65 V HN 0.504 nan 8.190 nan 0.000 0.445 66 L N -1.560 119.653 121.223 -0.017 0.000 2.478 66 L HA 0.073 4.395 4.340 -0.030 0.000 0.223 66 L C 2.256 179.112 176.870 -0.023 0.000 1.140 66 L CA 1.171 55.990 54.840 -0.035 0.000 0.842 66 L CB -0.552 41.466 42.059 -0.068 0.000 0.953 66 L HN 0.283 nan 8.230 nan 0.000 0.452 67 L N 1.092 122.310 121.223 -0.007 0.000 2.093 67 L HA -0.071 4.251 4.340 -0.030 0.000 0.208 67 L C 2.843 179.719 176.870 0.010 0.000 1.085 67 L CA 1.456 56.298 54.840 0.003 0.000 0.755 67 L CB -0.218 41.847 42.059 0.010 0.000 0.904 67 L HN 0.392 nan 8.230 nan 0.000 0.435 68 A N -0.714 122.112 122.820 0.011 0.000 1.968 68 A HA -0.152 4.150 4.320 -0.030 0.000 0.217 68 A C 2.195 179.792 177.584 0.022 0.000 1.169 68 A CA 1.365 53.415 52.037 0.021 0.000 0.638 68 A CB -0.639 18.373 19.000 0.021 0.000 0.812 68 A HN 0.491 nan 8.150 nan 0.000 0.446 69 L N -0.467 120.756 121.223 0.001 0.000 1.976 69 L HA -0.124 4.198 4.340 -0.030 0.000 0.209 69 L C 2.848 179.705 176.870 -0.023 0.000 1.071 69 L CA 1.638 56.465 54.840 -0.021 0.000 0.746 69 L CB -0.512 41.517 42.059 -0.051 0.000 0.890 69 L HN 0.382 nan 8.230 nan 0.000 0.432 70 A N -0.315 122.493 122.820 -0.020 0.000 1.859 70 A HA -0.373 3.930 4.320 -0.030 0.000 0.218 70 A C 2.219 179.816 177.584 0.022 0.000 1.209 70 A CA 2.396 54.427 52.037 -0.010 0.000 0.639 70 A CB -1.138 17.860 19.000 -0.003 0.000 0.835 70 A HN 0.638 nan 8.150 nan 0.000 0.450 71 E N -0.757 119.464 120.200 0.036 0.000 2.097 71 E HA -0.296 4.036 4.350 -0.030 0.000 0.196 71 E C 2.285 178.940 176.600 0.092 0.000 1.000 71 E CA 1.683 58.117 56.400 0.057 0.000 0.804 71 E CB -0.167 29.562 29.700 0.049 0.000 0.740 71 E HN 0.784 nan 8.360 nan 0.000 0.454 72 Q N 0.094 119.962 119.800 0.113 0.000 2.061 72 Q HA -0.178 4.145 4.340 -0.030 0.000 0.204 72 Q C 2.494 178.713 176.000 0.366 0.000 0.984 72 Q CA 1.417 57.363 55.803 0.238 0.000 0.846 72 Q CB -0.125 28.780 28.738 0.279 0.000 0.902 72 Q HN 0.362 nan 8.270 nan 0.000 0.421 73 L N -0.118 121.180 121.223 0.126 0.000 2.043 73 L HA -0.197 4.125 4.340 -0.030 0.000 0.212 73 L C 2.423 179.393 176.870 0.167 0.000 1.075 73 L CA 1.216 56.078 54.840 0.037 0.000 0.752 73 L CB -1.052 40.948 42.059 -0.098 0.000 0.891 73 L HN 0.411 nan 8.230 nan 0.000 0.432 74 G N -0.754 108.123 108.800 0.128 0.000 2.550 74 G HA2 -0.363 3.579 3.960 -0.030 0.000 0.222 74 G HA3 -0.363 3.579 3.960 -0.030 0.000 0.222 74 G C 1.534 176.512 174.900 0.131 0.000 1.113 74 G CA 1.628 46.799 45.100 0.118 0.000 0.748 74 G HN 0.486 nan 8.290 nan 0.000 0.585 75 T N -3.333 111.323 114.554 0.170 0.000 3.054 75 T HA 0.296 4.628 4.350 -0.030 0.000 0.255 75 T C 1.237 175.977 174.700 0.067 0.000 1.035 75 T CA -0.452 61.705 62.100 0.096 0.000 0.941 75 T CB -0.217 68.677 68.868 0.043 0.000 1.026 75 T HN 0.025 nan 8.240 nan 0.000 0.533 76 F N 2.526 122.471 119.950 -0.009 0.000 2.695 76 F HA 0.267 4.779 4.527 -0.025 0.000 0.301 76 F C 2.017 177.803 175.800 -0.023 0.000 1.182 76 F CA -0.017 57.972 58.000 -0.018 0.000 1.412 76 F CB -0.393 38.594 39.000 -0.022 0.000 1.056 76 F HN 0.221 nan 8.300 nan 0.000 0.522 77 T N -1.952 112.650 114.554 0.081 0.000 2.732 77 T HA -0.201 4.131 4.350 -0.030 0.000 0.261 77 T C 2.293 177.004 174.700 0.017 0.000 1.040 77 T CA 1.969 64.092 62.100 0.038 0.000 1.145 77 T CB -0.373 68.502 68.868 0.012 0.000 0.866 77 T HN 0.282 nan 8.240 nan 0.000 0.427 78 T N 0.941 115.486 114.554 -0.014 0.000 3.035 78 T HA 0.043 4.376 4.350 -0.030 0.000 0.268 78 T C 1.543 176.224 174.700 -0.032 0.000 1.109 78 T CA 0.356 62.443 62.100 -0.021 0.000 1.119 78 T CB -0.313 68.532 68.868 -0.038 0.000 0.900 78 T HN 0.021 nan 8.240 nan 0.000 0.503 79 L N 0.714 121.900 121.223 -0.063 0.000 2.554 79 L HA 0.390 4.712 4.340 -0.030 0.000 0.226 79 L C 1.868 178.749 176.870 0.018 0.000 1.137 79 L CA 0.693 55.479 54.840 -0.091 0.000 0.863 79 L CB 0.199 42.062 42.059 -0.327 0.000 0.985 79 L HN 0.231 nan 8.230 nan 0.000 0.451 80 V N -1.546 118.397 119.914 0.048 0.000 3.432 80 V HA 0.474 4.576 4.120 -0.030 0.000 0.298 80 V C 1.002 177.120 176.094 0.040 0.000 1.464 80 V CA 0.637 62.955 62.300 0.029 0.000 1.046 80 V CB 0.426 32.276 31.823 0.044 0.000 0.887 80 V HN 0.474 nan 8.190 nan 0.000 0.441 81 G N -0.289 108.572 108.800 0.101 0.000 2.186 81 G HA2 0.311 4.253 3.960 -0.030 0.000 0.130 81 G HA3 0.311 4.253 3.960 -0.030 0.000 0.130 81 G C 0.877 175.892 174.900 0.192 0.000 1.031 81 G CA 0.127 45.351 45.100 0.207 0.000 0.697 81 G HN 1.820 nan 8.290 nan 0.000 0.494 82 G N -0.684 108.168 108.800 0.086 0.000 2.782 82 G HA2 0.087 4.029 3.960 -0.030 0.000 0.228 82 G HA3 0.087 4.029 3.960 -0.030 0.000 0.228 82 G C -0.849 174.050 174.900 -0.002 0.000 1.372 82 G CA 0.202 45.319 45.100 0.028 0.000 0.862 82 G HN 0.602 nan 8.290 nan 0.000 0.547 83 P HA 0.012 nan 4.420 nan 0.000 0.219 83 P C 1.531 178.779 177.300 -0.087 0.000 1.146 83 P CA 1.728 64.790 63.100 -0.063 0.000 0.808 83 P CB -0.049 31.626 31.700 -0.042 0.000 0.779 84 E N -1.736 118.378 120.200 -0.143 0.000 2.187 84 E HA -0.212 4.120 4.350 -0.030 0.000 0.199 84 E C 0.850 177.230 176.600 -0.366 0.000 1.004 84 E CA 1.301 57.516 56.400 -0.309 0.000 0.813 84 E CB -0.470 28.911 29.700 -0.531 0.000 0.736 84 E HN 0.494 nan 8.360 nan 0.000 0.468 85 Y N -1.230 119.018 120.300 -0.086 0.000 2.557 85 Y HA 0.078 4.611 4.550 -0.028 0.000 0.247 85 Y C 1.707 177.377 175.900 -0.384 0.000 1.164 85 Y CA -0.487 57.464 58.100 -0.248 0.000 1.218 85 Y CB 0.763 39.121 38.460 -0.169 0.000 1.210 85 Y HN -0.047 nan 8.280 nan 0.000 0.529 86 V N -1.403 118.415 119.914 -0.160 0.000 2.380 86 V HA -0.366 3.737 4.120 -0.030 0.000 0.251 86 V C 2.155 178.146 176.094 -0.173 0.000 1.063 86 V CA 2.564 64.725 62.300 -0.232 0.000 1.055 86 V CB -1.231 30.313 31.823 -0.465 0.000 0.657 86 V HN 0.623 nan 8.190 nan 0.000 0.455 87 H N -0.215 118.869 119.070 0.023 0.000 2.431 87 H HA -0.230 4.307 4.556 -0.031 0.000 0.297 87 H C 2.277 177.614 175.328 0.014 0.000 1.115 87 H CA 1.821 57.914 56.048 0.075 0.000 1.277 87 H CB -1.583 27.915 29.762 -0.439 0.000 1.372 87 H HN 0.490 nan 8.280 nan 0.000 0.516 88 C N 0.746 119.816 119.300 -0.384 0.000 2.403 88 C HA -0.096 4.347 4.460 -0.030 0.000 0.279 88 C C 2.445 177.403 174.990 -0.054 0.000 1.269 88 C CA 0.993 59.906 59.018 -0.175 0.000 1.774 88 C CB -1.541 26.054 27.740 -0.242 0.000 1.993 88 C HN 0.714 nan 8.230 nan 0.000 0.496 89 L N 0.219 121.418 121.223 -0.039 0.000 2.610 89 L HA 0.038 4.360 4.340 -0.030 0.000 0.232 89 L C 2.279 179.156 176.870 0.011 0.000 1.149 89 L CA 0.144 54.972 54.840 -0.019 0.000 0.872 89 L CB -0.427 41.632 42.059 0.000 0.000 0.992 89 L HN 0.429 nan 8.230 nan 0.000 0.447 90 L N 0.155 121.406 121.223 0.047 0.000 1.973 90 L HA -0.106 4.216 4.340 -0.030 0.000 0.208 90 L C 0.024 176.885 176.870 -0.016 0.000 1.073 90 L CA 1.441 56.294 54.840 0.022 0.000 0.746 90 L CB -1.822 40.256 42.059 0.032 0.000 0.891 90 L HN 0.175 nan 8.230 nan 0.000 0.433 91 P HA -0.208 nan 4.420 nan 0.000 0.218 91 P C -1.457 175.825 177.300 -0.031 0.000 1.165 91 P CA 2.207 65.299 63.100 -0.013 0.000 0.922 91 P CB -1.274 30.428 31.700 0.003 0.000 0.794 92 P HA -0.081 nan 4.420 nan 0.000 0.217 92 P C 1.717 178.977 177.300 -0.067 0.000 1.151 92 P CA 1.291 64.351 63.100 -0.067 0.000 0.828 92 P CB -0.404 31.242 31.700 -0.090 0.000 0.788 93 L N -0.115 121.074 121.223 -0.057 0.000 2.141 93 L HA -0.122 4.200 4.340 -0.030 0.000 0.209 93 L C 2.859 179.695 176.870 -0.055 0.000 1.094 93 L CA 1.412 56.223 54.840 -0.048 0.000 0.763 93 L CB -0.772 41.270 42.059 -0.028 0.000 0.908 93 L HN 0.012 nan 8.230 nan 0.000 0.437 94 E N -0.758 119.403 120.200 -0.064 0.000 2.072 94 E HA -0.226 4.106 4.350 -0.030 0.000 0.191 94 E C 2.324 178.906 176.600 -0.031 0.000 0.985 94 E CA 1.238 57.595 56.400 -0.072 0.000 0.801 94 E CB 0.057 29.706 29.700 -0.084 0.000 0.750 94 E HN 0.276 nan 8.360 nan 0.000 0.452 95 S N -0.002 115.687 115.700 -0.019 0.000 2.359 95 S HA -0.122 4.330 4.470 -0.030 0.000 0.224 95 S C 1.898 176.509 174.600 0.019 0.000 1.035 95 S CA 1.142 59.353 58.200 0.020 0.000 1.018 95 S CB -0.206 62.989 63.200 -0.009 0.000 0.876 95 S HN 0.306 nan 8.310 nan 0.000 0.448 96 L N 0.864 122.069 121.223 -0.030 0.000 2.217 96 L HA 0.051 4.373 4.340 -0.030 0.000 0.211 96 L C 2.588 179.453 176.870 -0.007 0.000 1.107 96 L CA 0.902 55.723 54.840 -0.032 0.000 0.783 96 L CB -0.507 41.520 42.059 -0.053 0.000 0.919 96 L HN 0.338 nan 8.230 nan 0.000 0.442 97 A N -1.198 121.616 122.820 -0.010 0.000 2.216 97 A HA -0.111 4.191 4.320 -0.030 0.000 0.214 97 A C 2.197 179.791 177.584 0.016 0.000 1.160 97 A CA 1.572 53.603 52.037 -0.010 0.000 0.725 97 A CB -0.509 18.468 19.000 -0.038 0.000 0.784 97 A HN 0.301 nan 8.150 nan 0.000 0.472 98 T N -0.864 113.725 114.554 0.057 0.000 3.022 98 T HA 0.192 4.524 4.350 -0.030 0.000 0.250 98 T C 0.553 175.310 174.700 0.094 0.000 1.060 98 T CA -0.028 62.164 62.100 0.153 0.000 1.013 98 T CB -0.186 68.853 68.868 0.284 0.000 0.982 98 T HN 0.058 nan 8.240 nan 0.000 0.508 99 V N 2.572 122.507 119.914 0.035 0.000 2.788 99 V HA -0.004 4.099 4.120 -0.030 0.000 0.307 99 V C 1.657 177.707 176.094 -0.073 0.000 1.069 99 V CA 0.481 62.776 62.300 -0.008 0.000 1.173 99 V CB 1.045 32.870 31.823 0.003 0.000 0.925 99 V HN 0.474 nan 8.190 nan 0.000 0.492 100 E N 2.325 122.461 120.200 -0.106 0.000 2.058 100 E HA -0.185 4.147 4.350 -0.030 0.000 0.194 100 E C 0.999 177.568 176.600 -0.052 0.000 0.997 100 E CA 1.036 57.360 56.400 -0.126 0.000 0.801 100 E CB 0.140 29.773 29.700 -0.113 0.000 0.746 100 E HN 0.755 nan 8.360 nan 0.000 0.450 101 E N 0.442 120.628 120.200 -0.022 0.000 2.265 101 E HA -0.055 4.277 4.350 -0.030 0.000 0.272 101 E C 0.642 177.248 176.600 0.011 0.000 1.067 101 E CA 0.434 56.836 56.400 0.004 0.000 0.900 101 E CB 1.000 30.704 29.700 0.007 0.000 1.017 101 E HN 0.099 nan 8.360 nan 0.000 0.431 102 T N 2.815 117.386 114.554 0.029 0.000 2.665 102 T HA -0.183 4.149 4.350 -0.030 0.000 0.268 102 T C 1.609 176.329 174.700 0.032 0.000 1.035 102 T CA 1.843 63.966 62.100 0.038 0.000 1.151 102 T CB -0.293 68.612 68.868 0.061 0.000 0.862 102 T HN 0.312 nan 8.240 nan 0.000 0.438 103 V N 1.361 121.293 119.914 0.030 0.000 2.660 103 V HA -0.111 3.991 4.120 -0.030 0.000 0.257 103 V C 2.722 178.829 176.094 0.023 0.000 1.088 103 V CA 1.611 63.927 62.300 0.028 0.000 1.106 103 V CB -0.791 31.048 31.823 0.026 0.000 0.686 103 V HN 0.490 nan 8.190 nan 0.000 0.481 104 V N -0.615 119.309 119.914 0.016 0.000 2.500 104 V HA -0.048 4.054 4.120 -0.030 0.000 0.243 104 V C 2.494 178.593 176.094 0.009 0.000 1.039 104 V CA 1.193 63.498 62.300 0.009 0.000 1.053 104 V CB -0.636 31.187 31.823 -0.001 0.000 0.695 104 V HN 0.380 nan 8.190 nan 0.000 0.463 105 R N 0.562 121.069 120.500 0.011 0.000 2.096 105 R HA -0.153 4.169 4.340 -0.030 0.000 0.235 105 R C 1.868 178.180 176.300 0.021 0.000 1.127 105 R CA 1.703 57.810 56.100 0.011 0.000 0.968 105 R CB -0.331 29.975 30.300 0.011 0.000 0.861 105 R HN 0.552 nan 8.270 nan 0.000 0.440 106 D N 0.101 120.519 120.400 0.030 0.000 2.277 106 D HA -0.074 4.548 4.640 -0.030 0.000 0.208 106 D C 1.677 178.000 176.300 0.039 0.000 0.962 106 D CA 0.670 54.693 54.000 0.039 0.000 0.865 106 D CB 0.060 40.886 40.800 0.045 0.000 0.939 106 D HN -0.021 nan 8.370 nan 0.000 0.510 107 K N 0.957 121.376 120.400 0.031 0.000 2.103 107 K HA 0.079 4.381 4.320 -0.030 0.000 0.204 107 K C 1.924 178.542 176.600 0.031 0.000 1.052 107 K CA 0.569 56.875 56.287 0.032 0.000 0.945 107 K CB -0.088 32.427 32.500 0.025 0.000 0.722 107 K HN 0.042 nan 8.250 nan 0.000 0.443 108 A N 0.706 123.538 122.820 0.020 0.000 1.897 108 A HA -0.084 4.218 4.320 -0.030 0.000 0.215 108 A C 2.414 180.012 177.584 0.024 0.000 1.181 108 A CA 1.259 53.304 52.037 0.013 0.000 0.620 108 A CB -0.589 18.408 19.000 -0.005 0.000 0.821 108 A HN 0.042 nan 8.150 nan 0.000 0.443 109 V N 0.210 120.140 119.914 0.027 0.000 2.287 109 V HA -0.304 3.798 4.120 -0.030 0.000 0.248 109 V C 2.547 178.684 176.094 0.071 0.000 1.053 109 V CA 2.403 64.727 62.300 0.041 0.000 1.027 109 V CB -0.730 31.118 31.823 0.041 0.000 0.646 109 V HN 0.730 nan 8.190 nan 0.000 0.447 110 E N 0.035 120.276 120.200 0.068 0.000 2.085 110 E HA -0.222 4.110 4.350 -0.030 0.000 0.194 110 E C 2.292 178.948 176.600 0.092 0.000 0.994 110 E CA 1.769 58.217 56.400 0.080 0.000 0.801 110 E CB -0.072 29.668 29.700 0.067 0.000 0.743 110 E HN 0.626 nan 8.360 nan 0.000 0.453 111 S N 0.419 116.168 115.700 0.082 0.000 2.428 111 S HA -0.033 4.420 4.470 -0.030 0.000 0.230 111 S C 1.923 176.595 174.600 0.119 0.000 1.014 111 S CA 0.333 58.588 58.200 0.091 0.000 0.957 111 S CB -0.021 63.221 63.200 0.071 0.000 0.784 111 S HN 0.238 nan 8.310 nan 0.000 0.499 112 L N 1.170 122.468 121.223 0.125 0.000 2.027 112 L HA -0.073 4.249 4.340 -0.030 0.000 0.206 112 L C 2.684 179.716 176.870 0.270 0.000 1.074 112 L CA 1.182 56.146 54.840 0.206 0.000 0.745 112 L CB -0.355 41.782 42.059 0.130 0.000 0.898 112 L HN 0.234 nan 8.230 nan 0.000 0.433 113 R N -0.079 120.532 120.500 0.185 0.000 2.083 113 R HA -0.194 4.128 4.340 -0.030 0.000 0.237 113 R C 2.387 178.746 176.300 0.099 0.000 1.137 113 R CA 1.398 57.567 56.100 0.114 0.000 0.951 113 R CB -0.728 29.652 30.300 0.134 0.000 0.851 113 R HN 0.363 nan 8.270 nan 0.000 0.434 114 A N 2.221 125.137 122.820 0.160 0.000 1.859 114 A HA -0.212 4.091 4.320 -0.030 0.000 0.217 114 A C 2.296 179.982 177.584 0.170 0.000 1.198 114 A CA 2.076 54.227 52.037 0.189 0.000 0.629 114 A CB -0.808 18.272 19.000 0.133 0.000 0.830 114 A HN 0.509 nan 8.150 nan 0.000 0.446 115 I N -1.407 119.244 120.570 0.135 0.000 2.928 115 I HA -0.083 4.069 4.170 -0.030 0.000 0.266 115 I C 2.188 178.343 176.117 0.063 0.000 1.234 115 I CA 1.528 62.887 61.300 0.098 0.000 1.483 115 I CB -0.509 37.553 38.000 0.102 0.000 1.097 115 I HN 0.327 nan 8.210 nan 0.000 0.455 116 S N 1.014 116.702 115.700 -0.019 0.000 2.419 116 S HA -0.243 4.209 4.470 -0.030 0.000 0.235 116 S C 1.891 176.291 174.600 -0.333 0.000 1.019 116 S CA 1.304 59.282 58.200 -0.370 0.000 0.982 116 S CB -1.020 61.687 63.200 -0.822 0.000 0.789 116 S HN 0.627 nan 8.310 nan 0.000 0.490 117 H N 0.938 119.983 119.070 -0.042 0.000 2.502 117 H HA 0.215 4.753 4.556 -0.030 0.000 0.283 117 H C 1.696 177.010 175.328 -0.023 0.000 1.015 117 H CA 1.104 57.133 56.048 -0.031 0.000 1.298 117 H CB -0.051 29.701 29.762 -0.017 0.000 1.411 117 H HN 0.536 nan 8.280 nan 0.000 0.556 118 E N 0.549 120.777 120.200 0.046 0.000 2.442 118 E HA -0.021 4.311 4.350 -0.030 0.000 0.195 118 E C 0.230 176.785 176.600 -0.076 0.000 1.030 118 E CA 0.076 56.461 56.400 -0.024 0.000 0.869 118 E CB 0.182 29.845 29.700 -0.062 0.000 0.857 118 E HN 0.488 nan 8.360 nan 0.000 0.505 119 H N 1.355 120.415 119.070 -0.018 0.000 2.722 119 H HA 0.083 4.620 4.556 -0.031 0.000 0.328 119 H C 0.774 176.093 175.328 -0.015 0.000 1.067 119 H CA -0.066 55.976 56.048 -0.010 0.000 1.447 119 H CB 0.857 30.587 29.762 -0.053 0.000 1.469 119 H HN 0.009 nan 8.280 nan 0.000 0.544 120 S N 4.332 120.116 115.700 0.140 0.000 2.600 120 S HA 0.084 4.536 4.470 -0.030 0.000 0.265 120 S C -1.513 173.124 174.600 0.062 0.000 1.325 120 S CA -1.172 57.074 58.200 0.077 0.000 1.002 120 S CB 1.440 64.676 63.200 0.059 0.000 0.921 120 S HN 0.442 nan 8.310 nan 0.000 0.554 121 P HA -0.073 nan 4.420 nan 0.000 0.218 121 P C 1.591 178.898 177.300 0.011 0.000 1.149 121 P CA 1.155 64.260 63.100 0.008 0.000 0.817 121 P CB -0.121 31.578 31.700 -0.001 0.000 0.785 122 S N -0.424 115.291 115.700 0.025 0.000 2.345 122 S HA -0.135 4.317 4.470 -0.030 0.000 0.220 122 S C 1.799 176.431 174.600 0.054 0.000 1.031 122 S CA 1.403 59.619 58.200 0.027 0.000 0.996 122 S CB -0.994 62.223 63.200 0.028 0.000 0.882 122 S HN 0.024 nan 8.310 nan 0.000 0.445 123 D N 1.151 121.618 120.400 0.112 0.000 2.149 123 D HA -0.065 4.558 4.640 -0.030 0.000 0.198 123 D C 2.018 178.406 176.300 0.147 0.000 0.990 123 D CA 0.721 54.856 54.000 0.224 0.000 0.839 123 D CB -0.340 40.665 40.800 0.341 0.000 0.948 123 D HN 0.356 nan 8.370 nan 0.000 0.460 124 L N 0.746 121.990 121.223 0.035 0.000 1.990 124 L HA -0.216 4.106 4.340 -0.030 0.000 0.213 124 L C 2.332 179.206 176.870 0.007 0.000 1.072 124 L CA 1.447 56.255 54.840 -0.053 0.000 0.755 124 L CB -0.295 41.713 42.059 -0.085 0.000 0.889 124 L HN 0.013 nan 8.230 nan 0.000 0.432 125 E N -0.761 119.438 120.200 -0.002 0.000 2.268 125 E HA -0.169 4.163 4.350 -0.030 0.000 0.195 125 E C 2.064 178.632 176.600 -0.053 0.000 0.995 125 E CA 0.904 57.295 56.400 -0.014 0.000 0.836 125 E CB 0.003 29.691 29.700 -0.019 0.000 0.763 125 E HN 0.510 nan 8.360 nan 0.000 0.491 126 A N 0.018 122.790 122.820 -0.081 0.000 1.903 126 A HA -0.090 4.212 4.320 -0.030 0.000 0.213 126 A C 1.248 178.551 177.584 -0.469 0.000 1.185 126 A CA 1.359 53.225 52.037 -0.285 0.000 0.628 126 A CB -0.190 18.610 19.000 -0.333 0.000 0.830 126 A HN 0.220 nan 8.150 nan 0.000 0.446 127 H N -4.131 114.918 119.070 -0.034 0.000 2.573 127 H HA 0.288 4.826 4.556 -0.030 0.000 0.236 127 H C 1.495 176.786 175.328 -0.062 0.000 0.907 127 H CA 0.270 56.295 56.048 -0.038 0.000 1.058 127 H CB -0.244 29.526 29.762 0.013 0.000 1.417 127 H HN 0.347 nan 8.280 nan 0.000 0.425 128 F N 1.608 121.492 119.950 -0.110 0.000 2.102 128 F HA -0.188 4.322 4.527 -0.028 0.000 0.298 128 F C 1.957 177.674 175.800 -0.138 0.000 1.105 128 F CA 1.195 59.077 58.000 -0.196 0.000 1.239 128 F CB -0.200 38.571 39.000 -0.382 0.000 0.991 128 F HN -0.086 nan 8.300 nan 0.000 0.474 129 V N 1.201 121.195 119.914 0.133 0.000 2.255 129 V HA -0.251 3.851 4.120 -0.030 0.000 0.247 129 V C -0.383 175.660 176.094 -0.085 0.000 1.051 129 V CA 2.275 64.597 62.300 0.037 0.000 1.018 129 V CB -2.096 29.758 31.823 0.052 0.000 0.641 129 V HN 0.199 nan 8.190 nan 0.000 0.445 130 P HA -0.208 nan 4.420 nan 0.000 0.218 130 P C 1.941 179.148 177.300 -0.155 0.000 1.152 130 P CA 1.486 64.523 63.100 -0.104 0.000 0.857 130 P CB -0.167 31.483 31.700 -0.083 0.000 0.787 131 L N -0.254 120.849 121.223 -0.200 0.000 1.994 131 L HA -0.119 4.203 4.340 -0.030 0.000 0.208 131 L C 2.125 178.802 176.870 -0.322 0.000 1.071 131 L CA 2.100 56.769 54.840 -0.284 0.000 0.745 131 L CB -1.422 40.367 42.059 -0.451 0.000 0.892 131 L HN -0.108 nan 8.230 nan 0.000 0.431 132 V N 0.659 120.359 119.914 -0.357 0.000 2.255 132 V HA -0.331 3.771 4.120 -0.030 0.000 0.247 132 V C 2.726 178.596 176.094 -0.373 0.000 1.051 132 V CA 2.204 64.276 62.300 -0.380 0.000 1.018 132 V CB -0.803 30.808 31.823 -0.352 0.000 0.641 132 V HN 0.486 nan 8.190 nan 0.000 0.445 133 K N 0.050 120.232 120.400 -0.363 0.000 2.001 133 K HA -0.252 4.051 4.320 -0.030 0.000 0.214 133 K C 2.436 178.856 176.600 -0.299 0.000 1.050 133 K CA 1.988 57.997 56.287 -0.463 0.000 0.934 133 K CB -0.212 32.096 32.500 -0.320 0.000 0.718 133 K HN 0.340 nan 8.250 nan 0.000 0.443 134 R N 0.321 120.695 120.500 -0.210 0.000 2.105 134 R HA -0.135 4.187 4.340 -0.030 0.000 0.239 134 R C 2.444 178.642 176.300 -0.170 0.000 1.135 134 R CA 1.534 57.537 56.100 -0.163 0.000 0.967 134 R CB -0.299 29.908 30.300 -0.155 0.000 0.861 134 R HN 0.273 nan 8.270 nan 0.000 0.442 135 L N -0.355 120.755 121.223 -0.189 0.000 2.023 135 L HA -0.065 4.257 4.340 -0.030 0.000 0.205 135 L C 2.632 179.439 176.870 -0.106 0.000 1.073 135 L CA 1.042 55.788 54.840 -0.158 0.000 0.745 135 L CB -0.571 41.385 42.059 -0.171 0.000 0.900 135 L HN 0.213 nan 8.230 nan 0.000 0.435 136 A N -0.097 122.644 122.820 -0.131 0.000 2.024 136 A HA -0.143 4.159 4.320 -0.030 0.000 0.220 136 A C 1.971 179.629 177.584 0.123 0.000 1.164 136 A CA 1.837 53.876 52.037 0.004 0.000 0.643 136 A CB -0.828 18.157 19.000 -0.024 0.000 0.806 136 A HN 0.502 nan 8.150 nan 0.000 0.451 137 G N -1.045 107.800 108.800 0.075 0.000 3.519 137 G HA2 0.434 4.376 3.960 -0.030 0.000 0.269 137 G HA3 0.434 4.376 3.960 -0.030 0.000 0.269 137 G C 0.651 175.555 174.900 0.006 0.000 1.028 137 G CA 0.429 45.606 45.100 0.127 0.000 0.809 137 G HN 0.705 nan 8.290 nan 0.000 0.521 138 G N -0.011 108.752 108.800 -0.062 0.000 2.614 138 G HA2 0.211 4.153 3.960 -0.030 0.000 0.239 138 G HA3 0.211 4.153 3.960 -0.030 0.000 0.239 138 G C 0.360 175.164 174.900 -0.161 0.000 1.240 138 G CA -0.059 44.938 45.100 -0.172 0.000 0.842 138 G HN 0.105 nan 8.290 nan 0.000 0.584 139 D N -0.380 119.828 120.400 -0.320 0.000 2.264 139 D HA -0.002 4.621 4.640 -0.030 0.000 0.208 139 D C 0.428 176.745 176.300 0.027 0.000 0.966 139 D CA 0.765 54.649 54.000 -0.194 0.000 0.864 139 D CB 0.214 40.849 40.800 -0.274 0.000 0.933 139 D HN 0.324 nan 8.370 nan 0.000 0.499 140 W N 0.061 121.361 121.300 -0.001 0.000 2.578 140 W HA 0.215 4.854 4.660 -0.035 0.000 0.346 140 W C 0.890 177.406 176.519 -0.003 0.000 1.075 140 W CA -1.357 55.977 57.345 -0.019 0.000 1.233 140 W CB -0.466 28.921 29.460 -0.122 0.000 1.358 140 W HN -0.129 nan 8.180 nan 0.000 0.574 141 F N -0.085 120.005 119.950 0.232 0.000 2.259 141 F HA -0.128 4.383 4.527 -0.027 0.000 0.298 141 F C 2.000 177.872 175.800 0.120 0.000 1.088 141 F CA 1.667 59.743 58.000 0.127 0.000 1.358 141 F CB -1.406 37.641 39.000 0.078 0.000 1.040 141 F HN 0.244 nan 8.300 nan 0.000 0.505 142 T N -0.391 113.744 114.554 -0.699 0.000 2.595 142 T HA -0.262 4.070 4.350 -0.030 0.000 0.264 142 T C 2.139 176.806 174.700 -0.056 0.000 1.058 142 T CA 2.126 63.981 62.100 -0.408 0.000 1.166 142 T CB -1.425 67.184 68.868 -0.431 0.000 0.863 142 T HN 0.504 nan 8.240 nan 0.000 0.415 143 S N 1.901 117.632 115.700 0.053 0.000 2.387 143 S HA -0.168 4.284 4.470 -0.030 0.000 0.230 143 S C 2.228 176.831 174.600 0.005 0.000 1.035 143 S CA 1.154 59.374 58.200 0.033 0.000 1.014 143 S CB -0.601 62.589 63.200 -0.017 0.000 0.836 143 S HN 0.537 nan 8.310 nan 0.000 0.466 144 R N 1.029 121.558 120.500 0.047 0.000 2.073 144 R HA -0.050 4.272 4.340 -0.030 0.000 0.229 144 R C 2.954 179.298 176.300 0.073 0.000 1.120 144 R CA 1.754 57.893 56.100 0.065 0.000 0.967 144 R CB -0.829 29.534 30.300 0.105 0.000 0.862 144 R HN 0.788 nan 8.270 nan 0.000 0.436 145 T N -1.430 113.181 114.554 0.094 0.000 2.674 145 T HA -0.096 4.236 4.350 -0.030 0.000 0.265 145 T C 2.013 176.751 174.700 0.063 0.000 1.039 145 T CA 1.667 63.825 62.100 0.097 0.000 1.150 145 T CB -0.424 68.523 68.868 0.132 0.000 0.864 145 T HN 0.078 nan 8.240 nan 0.000 0.427 146 S N 2.479 118.199 115.700 0.033 0.000 2.413 146 S HA -0.122 4.331 4.470 -0.030 0.000 0.237 146 S C 2.501 177.082 174.600 -0.032 0.000 1.044 146 S CA 1.238 59.440 58.200 0.003 0.000 1.024 146 S CB -0.936 62.251 63.200 -0.021 0.000 0.829 146 S HN 0.833 nan 8.310 nan 0.000 0.475 147 A N 0.530 123.320 122.820 -0.051 0.000 1.929 147 A HA -0.070 4.232 4.320 -0.030 0.000 0.216 147 A C 2.368 179.875 177.584 -0.128 0.000 1.176 147 A CA 1.200 53.137 52.037 -0.167 0.000 0.628 147 A CB -1.207 17.696 19.000 -0.161 0.000 0.816 147 A HN 0.627 nan 8.150 nan 0.000 0.444 148 C N -0.753 118.625 119.300 0.131 0.000 2.403 148 C HA -0.044 4.398 4.460 -0.030 0.000 0.279 148 C C 2.518 177.666 174.990 0.263 0.000 1.269 148 C CA 0.742 59.959 59.018 0.332 0.000 1.774 148 C CB -1.517 26.356 27.740 0.222 0.000 1.993 148 C HN 0.690 nan 8.230 nan 0.000 0.496 149 G N -0.905 107.968 108.800 0.121 0.000 3.262 149 G HA2 0.316 4.258 3.960 -0.030 0.000 0.228 149 G HA3 0.316 4.258 3.960 -0.030 0.000 0.228 149 G C 0.974 175.919 174.900 0.076 0.000 1.197 149 G CA 0.069 45.236 45.100 0.112 0.000 0.819 149 G HN 0.564 nan 8.290 nan 0.000 0.531 150 L N -1.555 119.656 121.223 -0.019 0.000 2.920 150 L HA 0.364 4.686 4.340 -0.030 0.000 0.257 150 L C 1.674 178.511 176.870 -0.055 0.000 1.150 150 L CA -0.228 54.582 54.840 -0.049 0.000 0.959 150 L CB 0.186 42.153 42.059 -0.153 0.000 1.321 150 L HN 0.077 nan 8.230 nan 0.000 0.555 151 F N 0.713 120.736 119.950 0.122 0.000 2.098 151 F HA -0.167 4.343 4.527 -0.029 0.000 0.294 151 F C 2.771 178.796 175.800 0.374 0.000 1.107 151 F CA 1.633 59.743 58.000 0.183 0.000 1.234 151 F CB -0.609 38.267 39.000 -0.206 0.000 1.002 151 F HN 0.068 nan 8.300 nan 0.000 0.472 152 S N 0.196 116.209 115.700 0.520 0.000 2.603 152 S HA -0.047 4.405 4.470 -0.030 0.000 0.229 152 S C 1.801 176.552 174.600 0.252 0.000 0.972 152 S CA 0.691 59.140 58.200 0.415 0.000 0.935 152 S CB -1.139 62.261 63.200 0.333 0.000 0.769 152 S HN 0.292 nan 8.310 nan 0.000 0.536 153 V N -0.498 119.529 119.914 0.189 0.000 2.725 153 V HA 0.032 4.134 4.120 -0.030 0.000 0.247 153 V C 2.153 178.212 176.094 -0.058 0.000 1.058 153 V CA 0.730 63.052 62.300 0.037 0.000 1.080 153 V CB -1.068 30.731 31.823 -0.041 0.000 0.713 153 V HN 0.781 nan 8.190 nan 0.000 0.465 154 C N -2.394 116.919 119.300 0.022 0.000 2.800 154 C HA 0.316 4.759 4.460 -0.030 0.000 0.379 154 C C 2.402 177.450 174.990 0.097 0.000 1.304 154 C CA 0.182 59.181 59.018 -0.031 0.000 1.960 154 C CB -1.238 26.456 27.740 -0.077 0.000 2.599 154 C HN 0.557 nan 8.230 nan 0.000 0.578 155 Y N 4.494 124.866 120.300 0.120 0.000 2.073 155 Y HA -0.245 4.287 4.550 -0.030 0.000 0.270 155 Y C -0.349 175.572 175.900 0.035 0.000 1.226 155 Y CA 3.228 61.403 58.100 0.125 0.000 1.117 155 Y CB -1.428 37.136 38.460 0.174 0.000 0.939 155 Y HN 0.258 nan 8.280 nan 0.000 0.504 156 P HA -0.090 nan 4.420 nan 0.000 0.225 156 P C 0.883 178.143 177.300 -0.066 0.000 1.156 156 P CA 1.627 64.724 63.100 -0.004 0.000 0.787 156 P CB -0.068 31.688 31.700 0.094 0.000 0.802 157 R N 0.105 120.577 120.500 -0.046 0.000 2.334 157 R HA 0.154 4.476 4.340 -0.030 0.000 0.216 157 R C 0.807 177.069 176.300 -0.063 0.000 0.905 157 R CA -0.117 55.955 56.100 -0.046 0.000 1.064 157 R CB 0.253 30.539 30.300 -0.024 0.000 1.046 157 R HN 0.140 nan 8.270 nan 0.000 0.508 158 V N -1.729 118.128 119.914 -0.094 0.000 3.262 158 V HA 0.390 4.492 4.120 -0.030 0.000 0.313 158 V C 0.428 176.460 176.094 -0.104 0.000 1.070 158 V CA -1.091 61.158 62.300 -0.084 0.000 1.049 158 V CB 1.624 33.405 31.823 -0.069 0.000 1.157 158 V HN 0.157 nan 8.190 nan 0.000 0.454 159 S N 0.746 116.402 115.700 -0.074 0.000 2.549 159 S HA 0.063 4.515 4.470 -0.030 0.000 0.286 159 S C 1.502 176.046 174.600 -0.092 0.000 1.314 159 S CA 0.506 58.666 58.200 -0.068 0.000 1.062 159 S CB 0.607 63.783 63.200 -0.040 0.000 0.865 159 S HN 1.614 nan 8.310 nan 0.000 0.498 160 S N 3.723 119.370 115.700 -0.089 0.000 2.434 160 S HA -0.330 4.122 4.470 -0.030 0.000 0.250 160 S C 2.002 176.564 174.600 -0.063 0.000 1.102 160 S CA 2.171 60.319 58.200 -0.086 0.000 1.104 160 S CB -1.194 61.975 63.200 -0.051 0.000 0.957 160 S HN 1.163 nan 8.310 nan 0.000 0.456 161 A N 0.246 123.043 122.820 -0.038 0.000 1.855 161 A HA 0.039 4.341 4.320 -0.030 0.000 0.215 161 A C 2.286 179.874 177.584 0.006 0.000 1.191 161 A CA 1.693 53.725 52.037 -0.009 0.000 0.613 161 A CB -0.878 18.120 19.000 -0.003 0.000 0.829 161 A HN 0.544 nan 8.150 nan 0.000 0.442 162 V N 0.529 120.441 119.914 -0.003 0.000 3.078 162 V HA -0.218 3.884 4.120 -0.030 0.000 0.265 162 V C 2.166 178.296 176.094 0.059 0.000 1.122 162 V CA 1.866 64.187 62.300 0.035 0.000 1.141 162 V CB -0.923 30.915 31.823 0.026 0.000 0.735 162 V HN 0.502 nan 8.190 nan 0.000 0.498 163 K N 1.212 121.592 120.400 -0.033 0.000 2.032 163 K HA -0.178 4.124 4.320 -0.030 0.000 0.209 163 K C 2.392 179.124 176.600 0.220 0.000 1.048 163 K CA 1.626 57.903 56.287 -0.017 0.000 0.927 163 K CB -0.519 31.817 32.500 -0.274 0.000 0.712 163 K HN 0.474 nan 8.250 nan 0.000 0.441 164 A N 1.661 124.564 122.820 0.138 0.000 1.986 164 A HA -0.255 4.048 4.320 -0.030 0.000 0.220 164 A C 1.888 179.575 177.584 0.172 0.000 1.171 164 A CA 1.744 53.867 52.037 0.142 0.000 0.640 164 A CB -0.397 18.654 19.000 0.085 0.000 0.811 164 A HN 0.365 nan 8.150 nan 0.000 0.451 165 E N -0.509 119.813 120.200 0.203 0.000 2.076 165 E HA -0.033 4.299 4.350 -0.030 0.000 0.190 165 E C 1.970 178.822 176.600 0.420 0.000 0.979 165 E CA 0.763 57.326 56.400 0.272 0.000 0.807 165 E CB -0.212 29.662 29.700 0.291 0.000 0.761 165 E HN 0.636 nan 8.360 nan 0.000 0.454 166 L N 0.734 122.225 121.223 0.446 0.000 1.989 166 L HA -0.215 4.107 4.340 -0.030 0.000 0.211 166 L C 2.632 179.764 176.870 0.436 0.000 1.071 166 L CA 1.374 56.562 54.840 0.580 0.000 0.749 166 L CB -0.461 42.038 42.059 0.733 0.000 0.890 166 L HN 0.053 nan 8.230 nan 0.000 0.431 167 R N -0.275 120.484 120.500 0.431 0.000 2.103 167 R HA -0.265 4.057 4.340 -0.030 0.000 0.242 167 R C 2.332 178.759 176.300 0.212 0.000 1.142 167 R CA 1.955 58.247 56.100 0.320 0.000 0.960 167 R CB -0.403 30.044 30.300 0.244 0.000 0.858 167 R HN 0.327 nan 8.270 nan 0.000 0.439 168 Q N 0.050 119.957 119.800 0.177 0.000 2.119 168 Q HA -0.162 4.161 4.340 -0.030 0.000 0.201 168 Q C 1.574 177.595 176.000 0.035 0.000 0.972 168 Q CA 1.638 57.487 55.803 0.076 0.000 0.847 168 Q CB -0.365 28.388 28.738 0.025 0.000 0.903 168 Q HN 0.446 nan 8.270 nan 0.000 0.433 169 Y N -0.914 119.437 120.300 0.084 0.000 2.242 169 Y HA -0.150 4.382 4.550 -0.029 0.000 0.291 169 Y C 1.809 177.667 175.900 -0.070 0.000 1.137 169 Y CA 1.243 59.393 58.100 0.084 0.000 1.181 169 Y CB -0.111 38.509 38.460 0.267 0.000 0.989 169 Y HN 0.277 nan 8.280 nan 0.000 0.527 170 F N 0.572 120.314 119.950 -0.346 0.000 2.113 170 F HA -0.189 4.320 4.527 -0.030 0.000 0.297 170 F C 2.653 178.305 175.800 -0.247 0.000 1.103 170 F CA 1.571 59.186 58.000 -0.643 0.000 1.248 170 F CB -0.350 38.038 39.000 -1.019 0.000 0.999 170 F HN -0.183 nan 8.300 nan 0.000 0.475 171 R N 0.435 120.943 120.500 0.013 0.000 2.105 171 R HA -0.211 4.111 4.340 -0.030 0.000 0.239 171 R C 1.869 178.110 176.300 -0.099 0.000 1.135 171 R CA 1.869 57.963 56.100 -0.010 0.000 0.967 171 R CB -0.570 29.762 30.300 0.053 0.000 0.861 171 R HN 0.287 nan 8.270 nan 0.000 0.442 172 N N 0.677 119.324 118.700 -0.087 0.000 2.104 172 N HA -0.143 4.579 4.740 -0.030 0.000 0.190 172 N C 1.758 177.208 175.510 -0.100 0.000 1.024 172 N CA 1.155 54.159 53.050 -0.077 0.000 0.853 172 N CB -0.213 38.240 38.487 -0.058 0.000 1.008 172 N HN 0.228 nan 8.380 nan 0.000 0.424 173 L N -0.523 120.598 121.223 -0.169 0.000 2.141 173 L HA -0.109 4.213 4.340 -0.030 0.000 0.209 173 L C 2.040 178.742 176.870 -0.280 0.000 1.094 173 L CA 0.561 55.276 54.840 -0.208 0.000 0.763 173 L CB -0.266 41.648 42.059 -0.243 0.000 0.908 173 L HN 0.231 nan 8.230 nan 0.000 0.437 174 C N -0.606 118.467 119.300 -0.379 0.000 2.419 174 C HA -0.086 4.356 4.460 -0.030 0.000 0.281 174 C C 2.365 177.272 174.990 -0.139 0.000 1.336 174 C CA 1.122 59.971 59.018 -0.281 0.000 1.770 174 C CB -0.961 26.639 27.740 -0.234 0.000 1.929 174 C HN 0.644 nan 8.230 nan 0.000 0.509 175 S N -0.937 114.698 115.700 -0.109 0.000 2.651 175 S HA 0.108 4.560 4.470 -0.030 0.000 0.246 175 S C -0.183 174.384 174.600 -0.055 0.000 1.039 175 S CA -0.326 57.833 58.200 -0.068 0.000 1.013 175 S CB -0.389 62.780 63.200 -0.052 0.000 0.861 175 S HN 0.622 nan 8.310 nan 0.000 0.485 176 D N 1.646 122.010 120.400 -0.061 0.000 2.406 176 D HA -0.048 4.574 4.640 -0.030 0.000 0.234 176 D C 0.136 176.421 176.300 -0.024 0.000 1.196 176 D CA 0.434 54.414 54.000 -0.033 0.000 0.881 176 D CB 0.732 41.516 40.800 -0.025 0.000 1.205 176 D HN 0.096 nan 8.370 nan 0.000 0.453 177 D N 0.033 120.428 120.400 -0.007 0.000 2.178 177 D HA -0.067 4.555 4.640 -0.030 0.000 0.201 177 D C 0.605 176.891 176.300 -0.023 0.000 0.980 177 D CA 1.066 55.061 54.000 -0.009 0.000 0.842 177 D CB 0.006 40.810 40.800 0.007 0.000 0.948 177 D HN 0.474 nan 8.370 nan 0.000 0.472 178 T N -3.164 111.375 114.554 -0.025 0.000 2.885 178 T HA 0.428 4.760 4.350 -0.030 0.000 0.285 178 T C -2.234 172.423 174.700 -0.071 0.000 1.019 178 T CA -2.030 60.031 62.100 -0.065 0.000 1.010 178 T CB 2.717 71.525 68.868 -0.100 0.000 1.022 178 T HN -0.326 nan 8.240 nan 0.000 0.466 179 P HA -0.080 nan 4.420 nan 0.000 0.214 179 P C 1.665 178.925 177.300 -0.066 0.000 1.163 179 P CA 1.025 64.078 63.100 -0.077 0.000 0.883 179 P CB -0.177 31.471 31.700 -0.087 0.000 0.788 180 M N -1.005 118.529 119.600 -0.109 0.000 2.186 180 M HA -0.208 4.254 4.480 -0.030 0.000 0.249 180 M C 1.887 178.214 176.300 0.045 0.000 1.081 180 M CA 1.995 57.268 55.300 -0.046 0.000 1.072 180 M CB -1.945 30.567 32.600 -0.146 0.000 1.318 180 M HN -0.196 nan 8.290 nan 0.000 0.405 181 V N -1.418 118.520 119.914 0.040 0.000 2.649 181 V HA -0.106 3.996 4.120 -0.030 0.000 0.248 181 V C 2.313 178.400 176.094 -0.013 0.000 1.054 181 V CA 1.317 63.647 62.300 0.049 0.000 1.073 181 V CB -0.573 31.288 31.823 0.063 0.000 0.699 181 V HN 0.381 nan 8.190 nan 0.000 0.463 182 R N 0.115 120.596 120.500 -0.032 0.000 2.062 182 R HA -0.084 4.238 4.340 -0.030 0.000 0.231 182 R C 2.607 178.890 176.300 -0.028 0.000 1.136 182 R CA 1.477 57.545 56.100 -0.053 0.000 0.948 182 R CB -0.321 29.947 30.300 -0.053 0.000 0.845 182 R HN 0.419 nan 8.270 nan 0.000 0.430 183 R N 0.245 120.739 120.500 -0.011 0.000 2.112 183 R HA -0.204 4.118 4.340 -0.030 0.000 0.242 183 R C 2.339 178.660 176.300 0.035 0.000 1.137 183 R CA 1.809 57.915 56.100 0.011 0.000 0.944 183 R CB -0.556 29.749 30.300 0.008 0.000 0.857 183 R HN 0.247 nan 8.270 nan 0.000 0.435 184 A N 0.864 123.709 122.820 0.041 0.000 1.940 184 A HA -0.173 4.130 4.320 -0.030 0.000 0.219 184 A C 2.332 179.959 177.584 0.072 0.000 1.176 184 A CA 1.911 53.987 52.037 0.066 0.000 0.631 184 A CB -0.621 18.425 19.000 0.078 0.000 0.814 184 A HN 0.470 nan 8.150 nan 0.000 0.446 185 A N -0.328 122.497 122.820 0.009 0.000 1.854 185 A HA 0.271 4.573 4.320 -0.030 0.000 0.214 185 A C 2.534 180.193 177.584 0.125 0.000 1.192 185 A CA 1.827 53.842 52.037 -0.037 0.000 0.611 185 A CB -1.165 17.636 19.000 -0.332 0.000 0.832 185 A HN 1.132 nan 8.150 nan 0.000 0.442 186 A N 0.433 123.300 122.820 0.079 0.000 1.958 186 A HA -0.167 4.135 4.320 -0.030 0.000 0.221 186 A C 2.332 180.004 177.584 0.146 0.000 1.178 186 A CA 2.542 54.652 52.037 0.122 0.000 0.642 186 A CB -0.890 18.152 19.000 0.070 0.000 0.816 186 A HN 1.115 nan 8.150 nan 0.000 0.453 187 S N -2.595 113.179 115.700 0.123 0.000 2.575 187 S HA 0.210 4.662 4.470 -0.030 0.000 0.215 187 S C 1.123 175.803 174.600 0.133 0.000 0.966 187 S CA 0.235 58.503 58.200 0.114 0.000 0.911 187 S CB 0.275 63.528 63.200 0.089 0.000 0.780 187 S HN 0.385 nan 8.310 nan 0.000 0.514 188 K N 0.322 120.831 120.400 0.182 0.000 2.438 188 K HA 0.370 4.672 4.320 -0.030 0.000 0.206 188 K C 1.225 177.949 176.600 0.207 0.000 1.081 188 K CA -0.123 56.284 56.287 0.200 0.000 1.053 188 K CB -0.105 32.541 32.500 0.244 0.000 0.908 188 K HN 0.292 nan 8.250 nan 0.000 0.556 189 L N 1.447 122.821 121.223 0.251 0.000 2.012 189 L HA -0.077 4.245 4.340 -0.030 0.000 0.210 189 L C 1.942 178.867 176.870 0.091 0.000 1.073 189 L CA 2.358 57.322 54.840 0.206 0.000 0.748 189 L CB -1.097 41.129 42.059 0.278 0.000 0.891 189 L HN 0.248 nan 8.230 nan 0.000 0.431 190 G N -1.512 107.335 108.800 0.078 0.000 2.450 190 G HA2 -0.280 3.662 3.960 -0.030 0.000 0.220 190 G HA3 -0.280 3.662 3.960 -0.030 0.000 0.220 190 G C 1.492 176.411 174.900 0.030 0.000 1.130 190 G CA 0.861 45.977 45.100 0.026 0.000 0.760 190 G HN 0.542 nan 8.290 nan 0.000 0.557 191 E N -0.838 119.406 120.200 0.073 0.000 2.072 191 E HA -0.060 4.272 4.350 -0.030 0.000 0.191 191 E C 2.063 178.721 176.600 0.096 0.000 0.985 191 E CA 0.495 56.949 56.400 0.090 0.000 0.801 191 E CB -0.158 29.622 29.700 0.133 0.000 0.750 191 E HN 0.416 nan 8.360 nan 0.000 0.452 192 F N 1.025 120.876 119.950 -0.165 0.000 2.128 192 F HA -0.026 4.483 4.527 -0.029 0.000 0.295 192 F C 2.240 177.862 175.800 -0.296 0.000 1.100 192 F CA 1.022 58.830 58.000 -0.320 0.000 1.260 192 F CB -0.676 37.944 39.000 -0.633 0.000 1.009 192 F HN -0.058 nan 8.300 nan 0.000 0.476 193 A N -0.503 122.234 122.820 -0.138 0.000 1.997 193 A HA -0.297 4.005 4.320 -0.030 0.000 0.221 193 A C 2.056 179.534 177.584 -0.176 0.000 1.172 193 A CA 2.049 53.980 52.037 -0.177 0.000 0.645 193 A CB -0.747 18.183 19.000 -0.117 0.000 0.813 193 A HN 0.278 nan 8.150 nan 0.000 0.454 194 K N -0.655 119.670 120.400 -0.125 0.000 2.505 194 K HA 0.102 4.404 4.320 -0.030 0.000 0.192 194 K C 0.975 177.518 176.600 -0.095 0.000 1.025 194 K CA 0.916 57.150 56.287 -0.087 0.000 1.086 194 K CB 0.085 32.562 32.500 -0.039 0.000 0.840 194 K HN 0.507 nan 8.250 nan 0.000 0.514 195 V N -3.235 116.568 119.914 -0.185 0.000 3.451 195 V HA 0.331 4.433 4.120 -0.030 0.000 0.288 195 V C 0.165 176.142 176.094 -0.196 0.000 1.502 195 V CA -0.633 61.579 62.300 -0.145 0.000 1.026 195 V CB -0.113 31.660 31.823 -0.083 0.000 0.840 195 V HN -0.149 nan 8.190 nan 0.000 0.437 196 L N 1.634 122.642 121.223 -0.359 0.000 2.456 196 L HA 0.549 4.872 4.340 -0.030 0.000 0.257 196 L C 0.425 177.224 176.870 -0.119 0.000 1.162 196 L CA 0.196 54.844 54.840 -0.320 0.000 0.808 196 L CB 0.554 42.337 42.059 -0.460 0.000 1.136 196 L HN 0.253 nan 8.230 nan 0.000 0.466 197 E N 0.949 121.117 120.200 -0.054 0.000 2.354 197 E HA 0.136 4.468 4.350 -0.030 0.000 0.269 197 E C 0.867 177.439 176.600 -0.047 0.000 1.036 197 E CA 0.016 56.400 56.400 -0.028 0.000 0.876 197 E CB 0.339 30.039 29.700 0.000 0.000 1.009 197 E HN 0.375 nan 8.360 nan 0.000 0.416 198 L N 1.987 123.187 121.223 -0.039 0.000 2.349 198 L HA -0.209 4.113 4.340 -0.030 0.000 0.220 198 L C 1.046 177.897 176.870 -0.032 0.000 1.130 198 L CA 0.842 55.657 54.840 -0.041 0.000 0.791 198 L CB -0.314 41.725 42.059 -0.033 0.000 0.918 198 L HN 0.528 nan 8.230 nan 0.000 0.444 199 D N 0.423 120.808 120.400 -0.024 0.000 2.077 199 D HA -0.141 4.481 4.640 -0.030 0.000 0.197 199 D C 1.805 178.093 176.300 -0.020 0.000 0.983 199 D CA 1.383 55.373 54.000 -0.016 0.000 0.841 199 D CB -0.401 40.395 40.800 -0.007 0.000 0.992 199 D HN 0.295 nan 8.370 nan 0.000 0.450 200 N N 0.481 119.165 118.700 -0.026 0.000 2.272 200 N HA -0.112 4.610 4.740 -0.030 0.000 0.185 200 N C 1.893 177.373 175.510 -0.050 0.000 1.014 200 N CA 0.358 53.389 53.050 -0.032 0.000 0.870 200 N CB -0.314 38.149 38.487 -0.039 0.000 0.975 200 N HN 0.038 nan 8.380 nan 0.000 0.433 201 V N 0.847 120.719 119.914 -0.069 0.000 2.255 201 V HA -0.253 3.849 4.120 -0.030 0.000 0.247 201 V C 1.941 178.017 176.094 -0.029 0.000 1.051 201 V CA 1.704 63.961 62.300 -0.071 0.000 1.018 201 V CB -0.407 31.366 31.823 -0.084 0.000 0.641 201 V HN 0.298 nan 8.190 nan 0.000 0.445 202 K N 0.732 121.120 120.400 -0.021 0.000 2.217 202 K HA -0.083 4.219 4.320 -0.030 0.000 0.202 202 K C 2.321 178.929 176.600 0.014 0.000 1.051 202 K CA 1.476 57.762 56.287 -0.001 0.000 0.952 202 K CB -0.223 32.274 32.500 -0.004 0.000 0.736 202 K HN 0.633 nan 8.250 nan 0.000 0.453 203 S N 0.046 115.752 115.700 0.010 0.000 2.456 203 S HA 0.054 4.506 4.470 -0.030 0.000 0.224 203 S C 1.625 176.243 174.600 0.030 0.000 1.035 203 S CA 0.321 58.532 58.200 0.018 0.000 0.940 203 S CB 0.204 63.412 63.200 0.013 0.000 0.799 203 S HN 0.213 nan 8.310 nan 0.000 0.508 204 E N 0.143 120.361 120.200 0.030 0.000 2.354 204 E HA 0.270 4.602 4.350 -0.030 0.000 0.203 204 E C 1.719 178.366 176.600 0.078 0.000 0.841 204 E CA -0.007 56.424 56.400 0.052 0.000 1.046 204 E CB 0.145 29.874 29.700 0.049 0.000 1.040 204 E HN 0.302 nan 8.360 nan 0.000 0.504 205 I N 2.042 122.644 120.570 0.054 0.000 2.233 205 I HA -0.189 3.963 4.170 -0.030 0.000 0.243 205 I C 2.451 178.653 176.117 0.142 0.000 1.093 205 I CA 0.936 62.287 61.300 0.085 0.000 1.380 205 I CB -0.680 37.324 38.000 0.006 0.000 1.067 205 I HN 0.122 nan 8.210 nan 0.000 0.413 206 I N 2.010 122.646 120.570 0.110 0.000 2.118 206 I HA -0.218 3.934 4.170 -0.030 0.000 0.241 206 I C -0.006 176.221 176.117 0.185 0.000 1.070 206 I CA 2.081 63.483 61.300 0.169 0.000 1.327 206 I CB -3.007 35.057 38.000 0.106 0.000 1.034 206 I HN 0.169 nan 8.210 nan 0.000 0.405 207 P HA -0.150 nan 4.420 nan 0.000 0.218 207 P C 2.094 179.446 177.300 0.087 0.000 1.149 207 P CA 1.624 64.773 63.100 0.081 0.000 0.817 207 P CB -0.069 31.665 31.700 0.057 0.000 0.785 208 M N -1.759 117.920 119.600 0.131 0.000 2.067 208 M HA -0.123 4.339 4.480 -0.030 0.000 0.260 208 M C 2.253 178.650 176.300 0.161 0.000 1.069 208 M CA 1.738 57.126 55.300 0.147 0.000 1.117 208 M CB -1.052 31.686 32.600 0.231 0.000 1.334 208 M HN -0.165 nan 8.290 nan 0.000 0.407 209 F N 1.032 121.023 119.950 0.068 0.000 2.115 209 F HA -0.300 4.209 4.527 -0.030 0.000 0.300 209 F C 2.739 178.557 175.800 0.030 0.000 1.092 209 F CA 2.034 60.064 58.000 0.050 0.000 1.245 209 F CB -0.801 38.222 39.000 0.038 0.000 0.995 209 F HN 0.166 nan 8.300 nan 0.000 0.481 210 S N 0.393 115.996 115.700 -0.163 0.000 2.368 210 S HA -0.208 4.244 4.470 -0.030 0.000 0.225 210 S C 1.906 176.371 174.600 -0.225 0.000 1.030 210 S CA 1.687 59.727 58.200 -0.268 0.000 0.999 210 S CB -0.570 62.593 63.200 -0.061 0.000 0.844 210 S HN 0.604 nan 8.310 nan 0.000 0.459 211 N N 1.608 120.235 118.700 -0.122 0.000 2.173 211 N HA 0.083 4.805 4.740 -0.030 0.000 0.184 211 N C 1.897 177.343 175.510 -0.106 0.000 1.025 211 N CA 1.188 54.183 53.050 -0.091 0.000 0.852 211 N CB -0.816 37.643 38.487 -0.047 0.000 0.998 211 N HN 0.373 nan 8.380 nan 0.000 0.427 212 L N 1.188 122.354 121.223 -0.096 0.000 2.079 212 L HA -0.115 4.207 4.340 -0.030 0.000 0.210 212 L C 2.382 179.175 176.870 -0.127 0.000 1.081 212 L CA 1.251 56.043 54.840 -0.079 0.000 0.752 212 L CB -0.504 41.544 42.059 -0.019 0.000 0.896 212 L HN 0.135 nan 8.230 nan 0.000 0.433 213 A N -0.644 122.024 122.820 -0.253 0.000 2.067 213 A HA -0.117 4.185 4.320 -0.030 0.000 0.219 213 A C 1.934 179.404 177.584 -0.189 0.000 1.158 213 A CA 1.553 53.411 52.037 -0.298 0.000 0.661 213 A CB -0.375 18.244 19.000 -0.635 0.000 0.801 213 A HN 0.482 nan 8.150 nan 0.000 0.452 214 S N -0.526 115.079 115.700 -0.159 0.000 2.581 214 S HA 0.324 4.776 4.470 -0.030 0.000 0.245 214 S C -0.272 174.281 174.600 -0.078 0.000 1.115 214 S CA -0.378 57.759 58.200 -0.105 0.000 1.093 214 S CB -0.287 62.855 63.200 -0.097 0.000 0.853 214 S HN 0.374 nan 8.310 nan 0.000 0.479 215 D N 2.091 122.446 120.400 -0.076 0.000 2.312 215 D HA 0.112 4.734 4.640 -0.030 0.000 0.244 215 D C 1.254 177.524 176.300 -0.050 0.000 1.328 215 D CA 0.119 54.083 54.000 -0.059 0.000 0.965 215 D CB 0.680 41.446 40.800 -0.057 0.000 1.140 215 D HN 0.423 nan 8.370 nan 0.000 0.523 216 E N -0.839 119.335 120.200 -0.044 0.000 2.122 216 E HA -0.023 4.309 4.350 -0.030 0.000 0.190 216 E C 0.242 176.818 176.600 -0.040 0.000 0.977 216 E CA 0.466 56.843 56.400 -0.039 0.000 0.820 216 E CB 0.083 29.762 29.700 -0.036 0.000 0.770 216 E HN 0.357 nan 8.360 nan 0.000 0.462 217 Q N 1.540 121.313 119.800 -0.045 0.000 2.278 217 Q HA 0.010 4.332 4.340 -0.030 0.000 0.257 217 Q C -0.053 175.914 176.000 -0.055 0.000 0.928 217 Q CA -0.433 55.341 55.803 -0.049 0.000 0.932 217 Q CB 1.366 30.074 28.738 -0.050 0.000 1.221 217 Q HN 0.179 nan 8.270 nan 0.000 0.434 218 D N 1.063 121.425 120.400 -0.064 0.000 2.149 218 D HA -0.246 4.376 4.640 -0.030 0.000 0.198 218 D C 1.513 177.764 176.300 -0.082 0.000 0.990 218 D CA 1.872 55.824 54.000 -0.081 0.000 0.839 218 D CB -0.315 40.417 40.800 -0.114 0.000 0.948 218 D HN 0.473 nan 8.370 nan 0.000 0.460 219 S N -0.435 115.219 115.700 -0.076 0.000 2.462 219 S HA -0.130 4.322 4.470 -0.030 0.000 0.243 219 S C 1.907 176.483 174.600 -0.040 0.000 1.003 219 S CA 1.075 59.238 58.200 -0.062 0.000 0.970 219 S CB -0.583 62.585 63.200 -0.055 0.000 0.762 219 S HN 0.258 nan 8.310 nan 0.000 0.510 220 V N 1.384 121.273 119.914 -0.041 0.000 2.521 220 V HA 0.105 4.207 4.120 -0.030 0.000 0.239 220 V C 2.778 178.857 176.094 -0.025 0.000 1.053 220 V CA 0.967 63.249 62.300 -0.028 0.000 1.073 220 V CB -0.599 31.202 31.823 -0.036 0.000 0.746 220 V HN 0.354 nan 8.190 nan 0.000 0.476 221 R N 0.452 120.926 120.500 -0.042 0.000 2.103 221 R HA -0.175 4.148 4.340 -0.030 0.000 0.242 221 R C 2.400 178.687 176.300 -0.021 0.000 1.142 221 R CA 1.924 57.996 56.100 -0.045 0.000 0.960 221 R CB -0.735 29.532 30.300 -0.055 0.000 0.858 221 R HN 0.498 nan 8.270 nan 0.000 0.439 222 L N 1.008 122.214 121.223 -0.028 0.000 2.129 222 L HA -0.196 4.126 4.340 -0.030 0.000 0.212 222 L C 1.776 178.659 176.870 0.021 0.000 1.087 222 L CA 1.629 56.460 54.840 -0.014 0.000 0.757 222 L CB -0.186 41.844 42.059 -0.048 0.000 0.896 222 L HN 0.248 nan 8.230 nan 0.000 0.434 223 L N -0.196 121.043 121.223 0.027 0.000 2.418 223 L HA -0.002 4.320 4.340 -0.030 0.000 0.218 223 L C 2.846 179.772 176.870 0.093 0.000 1.125 223 L CA 0.512 55.385 54.840 0.054 0.000 0.835 223 L CB -0.540 41.549 42.059 0.050 0.000 0.953 223 L HN 0.343 nan 8.230 nan 0.000 0.454 224 A N 0.137 123.020 122.820 0.104 0.000 1.858 224 A HA -0.156 4.146 4.320 -0.030 0.000 0.216 224 A C 2.310 180.054 177.584 0.266 0.000 1.190 224 A CA 1.639 53.804 52.037 0.215 0.000 0.617 224 A CB -0.821 18.245 19.000 0.111 0.000 0.827 224 A HN 0.127 nan 8.150 nan 0.000 0.443 225 V N 0.713 120.727 119.914 0.166 0.000 2.277 225 V HA -0.377 3.725 4.120 -0.030 0.000 0.253 225 V C 2.673 178.814 176.094 0.078 0.000 1.067 225 V CA 2.816 65.190 62.300 0.124 0.000 1.047 225 V CB -0.941 30.921 31.823 0.065 0.000 0.649 225 V HN 0.857 nan 8.190 nan 0.000 0.447 226 E N 1.003 121.242 120.200 0.066 0.000 2.085 226 E HA -0.197 4.135 4.350 -0.030 0.000 0.194 226 E C 1.997 178.610 176.600 0.022 0.000 0.994 226 E CA 1.916 58.339 56.400 0.038 0.000 0.801 226 E CB -0.533 29.194 29.700 0.046 0.000 0.743 226 E HN 0.542 nan 8.360 nan 0.000 0.453 227 A N 0.031 122.884 122.820 0.055 0.000 2.014 227 A HA -0.116 4.186 4.320 -0.030 0.000 0.218 227 A C 2.569 180.036 177.584 -0.194 0.000 1.163 227 A CA 1.124 53.158 52.037 -0.004 0.000 0.652 227 A CB -1.198 17.869 19.000 0.112 0.000 0.808 227 A HN 0.549 nan 8.150 nan 0.000 0.449 228 C N -0.865 118.341 119.300 -0.156 0.000 2.429 228 C HA -0.078 4.364 4.460 -0.030 0.000 0.277 228 C C 2.688 177.550 174.990 -0.214 0.000 1.262 228 C CA 1.404 60.232 59.018 -0.315 0.000 1.733 228 C CB -1.320 26.428 27.740 0.013 0.000 2.010 228 C HN 0.437 nan 8.230 nan 0.000 0.483 229 V N 2.114 121.958 119.914 -0.117 0.000 2.255 229 V HA -0.225 3.878 4.120 -0.030 0.000 0.247 229 V C 2.359 178.391 176.094 -0.103 0.000 1.051 229 V CA 2.442 64.685 62.300 -0.094 0.000 1.018 229 V CB -0.855 30.934 31.823 -0.057 0.000 0.641 229 V HN 0.568 nan 8.190 nan 0.000 0.445 230 N N 0.091 118.731 118.700 -0.100 0.000 2.094 230 N HA -0.143 4.579 4.740 -0.030 0.000 0.191 230 N C 1.779 177.213 175.510 -0.126 0.000 1.023 230 N CA 1.849 54.844 53.050 -0.091 0.000 0.857 230 N CB -0.261 38.186 38.487 -0.068 0.000 1.013 230 N HN 0.462 nan 8.380 nan 0.000 0.426 231 I N 1.132 121.582 120.570 -0.201 0.000 2.235 231 I HA -0.138 4.014 4.170 -0.030 0.000 0.241 231 I C 2.458 178.470 176.117 -0.175 0.000 1.085 231 I CA 0.687 61.850 61.300 -0.228 0.000 1.378 231 I CB -0.399 37.362 38.000 -0.399 0.000 1.076 231 I HN 0.005 nan 8.210 nan 0.000 0.415 232 A N 0.238 122.951 122.820 -0.178 0.000 1.915 232 A HA -0.351 3.952 4.320 -0.030 0.000 0.220 232 A C 2.231 179.762 177.584 -0.088 0.000 1.198 232 A CA 2.120 54.086 52.037 -0.119 0.000 0.647 232 A CB -0.941 17.996 19.000 -0.106 0.000 0.825 232 A HN 0.514 nan 8.150 nan 0.000 0.456 233 Q N -1.126 118.624 119.800 -0.083 0.000 2.439 233 Q HA -0.023 4.299 4.340 -0.030 0.000 0.211 233 Q C 1.653 177.618 176.000 -0.059 0.000 0.978 233 Q CA 0.876 56.641 55.803 -0.062 0.000 0.897 233 Q CB -0.201 28.503 28.738 -0.055 0.000 0.956 233 Q HN 0.753 nan 8.270 nan 0.000 0.483 234 L N -0.669 120.512 121.223 -0.071 0.000 2.408 234 L HA 0.132 4.454 4.340 -0.030 0.000 0.215 234 L C 0.304 177.140 176.870 -0.057 0.000 1.081 234 L CA -0.017 54.784 54.840 -0.065 0.000 0.840 234 L CB 0.343 42.355 42.059 -0.079 0.000 1.002 234 L HN 0.065 nan 8.230 nan 0.000 0.468 235 L N 1.544 122.732 121.223 -0.059 0.000 2.307 235 L HA 0.357 4.679 4.340 -0.030 0.000 0.282 235 L C -2.033 174.815 176.870 -0.037 0.000 1.051 235 L CA -2.009 52.803 54.840 -0.047 0.000 0.804 235 L CB 0.713 42.741 42.059 -0.051 0.000 1.197 235 L HN -0.171 nan 8.230 nan 0.000 0.431 236 P HA 0.000 nan 4.420 nan 0.000 0.272 236 P C 0.048 177.336 177.300 -0.019 0.000 1.223 236 P CA -0.357 62.729 63.100 -0.022 0.000 0.784 236 P CB 0.950 32.639 31.700 -0.018 0.000 0.923 237 Q N 1.833 121.622 119.800 -0.017 0.000 2.182 237 Q HA -0.292 4.030 4.340 -0.030 0.000 0.213 237 Q C 1.473 177.467 176.000 -0.010 0.000 1.000 237 Q CA 2.578 58.372 55.803 -0.014 0.000 0.889 237 Q CB -0.417 28.314 28.738 -0.012 0.000 0.932 237 Q HN 0.481 nan 8.270 nan 0.000 0.415 238 E N 0.276 120.471 120.200 -0.008 0.000 2.028 238 E HA -0.143 4.189 4.350 -0.030 0.000 0.191 238 E C 1.822 178.421 176.600 -0.003 0.000 0.988 238 E CA 1.425 57.822 56.400 -0.004 0.000 0.799 238 E CB -0.344 29.354 29.700 -0.004 0.000 0.755 238 E HN 0.413 nan 8.360 nan 0.000 0.447 239 D N 0.479 120.875 120.400 -0.006 0.000 2.182 239 D HA -0.130 4.492 4.640 -0.030 0.000 0.201 239 D C 1.972 178.271 176.300 -0.002 0.000 0.986 239 D CA 0.694 54.692 54.000 -0.004 0.000 0.847 239 D CB -0.088 40.706 40.800 -0.009 0.000 0.942 239 D HN 0.155 nan 8.370 nan 0.000 0.467 240 L N 0.776 121.995 121.223 -0.008 0.000 2.089 240 L HA -0.231 4.091 4.340 -0.030 0.000 0.213 240 L C 2.459 179.334 176.870 0.008 0.000 1.079 240 L CA 1.050 55.885 54.840 -0.008 0.000 0.758 240 L CB -0.446 41.604 42.059 -0.015 0.000 0.891 240 L HN -0.036 nan 8.230 nan 0.000 0.433 241 E N 0.616 120.823 120.200 0.010 0.000 2.077 241 E HA -0.187 4.145 4.350 -0.030 0.000 0.193 241 E C 1.765 178.380 176.600 0.025 0.000 0.989 241 E CA 1.688 58.099 56.400 0.018 0.000 0.800 241 E CB -0.031 29.678 29.700 0.015 0.000 0.746 241 E HN 0.401 nan 8.360 nan 0.000 0.452 242 A N -1.433 121.401 122.820 0.023 0.000 2.470 242 A HA 0.321 4.623 4.320 -0.030 0.000 0.251 242 A C 1.187 178.794 177.584 0.038 0.000 1.245 242 A CA -0.119 51.935 52.037 0.028 0.000 0.932 242 A CB 0.277 19.290 19.000 0.021 0.000 1.037 242 A HN 0.231 nan 8.150 nan 0.000 0.522 243 L N -2.520 118.730 121.223 0.044 0.000 2.806 243 L HA 0.231 4.553 4.340 -0.030 0.000 0.242 243 L C 1.734 178.672 176.870 0.112 0.000 1.068 243 L CA 0.721 55.600 54.840 0.064 0.000 0.923 243 L CB 0.562 42.644 42.059 0.039 0.000 1.364 243 L HN 0.096 nan 8.230 nan 0.000 0.511 244 V N -1.666 118.300 119.914 0.088 0.000 2.854 244 V HA 0.019 4.121 4.120 -0.030 0.000 0.236 244 V C 2.132 178.311 176.094 0.142 0.000 1.157 244 V CA 0.565 62.942 62.300 0.129 0.000 1.187 244 V CB 0.118 31.940 31.823 -0.000 0.000 0.949 244 V HN 0.218 nan 8.190 nan 0.000 0.488 245 M N 0.718 120.364 119.600 0.076 0.000 2.108 245 M HA -0.116 4.346 4.480 -0.030 0.000 0.257 245 M C -0.478 175.863 176.300 0.069 0.000 1.071 245 M CA 2.350 57.687 55.300 0.061 0.000 1.093 245 M CB -1.600 31.024 32.600 0.041 0.000 1.345 245 M HN 0.207 nan 8.290 nan 0.000 0.403 246 P HA -0.069 nan 4.420 nan 0.000 0.217 246 P C 1.260 178.589 177.300 0.047 0.000 1.150 246 P CA 1.553 64.683 63.100 0.050 0.000 0.832 246 P CB -0.300 31.424 31.700 0.040 0.000 0.787 247 T N -0.441 114.155 114.554 0.069 0.000 2.904 247 T HA -0.056 4.276 4.350 -0.030 0.000 0.267 247 T C 1.749 176.492 174.700 0.071 0.000 1.059 247 T CA 0.695 62.814 62.100 0.031 0.000 1.137 247 T CB -0.817 68.042 68.868 -0.016 0.000 0.879 247 T HN 0.052 nan 8.240 nan 0.000 0.467 248 L N 0.543 121.837 121.223 0.118 0.000 2.093 248 L HA -0.021 4.302 4.340 -0.030 0.000 0.208 248 L C 2.662 179.573 176.870 0.069 0.000 1.085 248 L CA 1.286 56.184 54.840 0.095 0.000 0.755 248 L CB -0.143 41.956 42.059 0.066 0.000 0.904 248 L HN 0.146 nan 8.230 nan 0.000 0.435 249 R N -1.074 119.464 120.500 0.063 0.000 2.276 249 R HA -0.086 4.236 4.340 -0.030 0.000 0.203 249 R C 2.021 178.352 176.300 0.051 0.000 1.017 249 R CA 0.583 56.721 56.100 0.063 0.000 1.010 249 R CB 0.022 30.356 30.300 0.056 0.000 0.900 249 R HN 0.556 nan 8.270 nan 0.000 0.469 250 Q N -0.008 119.814 119.800 0.037 0.000 2.165 250 Q HA 0.058 4.380 4.340 -0.030 0.000 0.197 250 Q C 2.237 178.252 176.000 0.026 0.000 0.952 250 Q CA 0.988 56.803 55.803 0.021 0.000 0.848 250 Q CB 0.013 28.748 28.738 -0.005 0.000 0.931 250 Q HN 0.275 nan 8.270 nan 0.000 0.470 251 A N 1.780 124.619 122.820 0.031 0.000 1.859 251 A HA -0.194 4.108 4.320 -0.030 0.000 0.217 251 A C 2.329 179.950 177.584 0.063 0.000 1.198 251 A CA 1.851 53.912 52.037 0.039 0.000 0.629 251 A CB -1.070 17.961 19.000 0.051 0.000 0.830 251 A HN 0.396 nan 8.150 nan 0.000 0.446 252 A N -1.574 121.298 122.820 0.087 0.000 2.194 252 A HA -0.127 4.175 4.320 -0.030 0.000 0.220 252 A C 1.646 179.280 177.584 0.084 0.000 1.162 252 A CA 1.857 53.962 52.037 0.115 0.000 0.674 252 A CB -0.304 18.792 19.000 0.160 0.000 0.789 252 A HN 0.656 nan 8.150 nan 0.000 0.470 253 E N -0.593 119.645 120.200 0.064 0.000 2.862 253 E HA 0.030 4.362 4.350 -0.030 0.000 0.204 253 E C -0.734 175.890 176.600 0.041 0.000 0.966 253 E CA -0.350 56.081 56.400 0.051 0.000 1.257 253 E CB 0.225 29.952 29.700 0.045 0.000 1.053 253 E HN 0.554 nan 8.360 nan 0.000 0.487 254 D N 1.314 121.737 120.400 0.037 0.000 2.429 254 D HA -0.117 4.505 4.640 -0.030 0.000 0.233 254 D C 1.056 177.377 176.300 0.034 0.000 1.202 254 D CA 0.464 54.478 54.000 0.023 0.000 0.879 254 D CB 1.379 42.186 40.800 0.011 0.000 1.212 254 D HN -0.028 nan 8.370 nan 0.000 0.465 255 K N 1.232 121.647 120.400 0.024 0.000 2.097 255 K HA -0.107 4.195 4.320 -0.030 0.000 0.206 255 K C 0.640 177.275 176.600 0.059 0.000 1.049 255 K CA 0.673 56.982 56.287 0.037 0.000 0.933 255 K CB -0.342 32.172 32.500 0.023 0.000 0.717 255 K HN 0.228 nan 8.250 nan 0.000 0.442 256 S N 1.081 116.798 115.700 0.028 0.000 2.499 256 S HA 0.060 4.512 4.470 -0.030 0.000 0.275 256 S C 1.245 175.858 174.600 0.020 0.000 1.257 256 S CA -0.585 57.615 58.200 0.001 0.000 1.050 256 S CB 0.017 63.158 63.200 -0.098 0.000 0.937 256 S HN 0.449 nan 8.310 nan 0.000 0.490 257 W N 6.103 127.420 121.300 0.029 0.000 2.374 257 W HA -0.146 4.496 4.660 -0.030 0.000 0.288 257 W C 1.219 177.791 176.519 0.089 0.000 1.218 257 W CA 0.653 58.027 57.345 0.048 0.000 1.245 257 W CB -0.834 28.641 29.460 0.025 0.000 1.126 257 W HN 0.730 nan 8.180 nan 0.000 0.545 258 R N 0.869 120.754 120.500 -1.025 0.000 2.159 258 R HA -0.132 4.191 4.340 -0.030 0.000 0.237 258 R C 2.265 178.402 176.300 -0.271 0.000 1.131 258 R CA 2.022 57.551 56.100 -0.953 0.000 0.982 258 R CB -0.378 29.355 30.300 -0.945 0.000 0.868 258 R HN 0.164 nan 8.270 nan 0.000 0.453 259 V N 0.169 119.991 119.914 -0.152 0.000 2.446 259 V HA -0.108 3.994 4.120 -0.030 0.000 0.244 259 V C 2.170 178.289 176.094 0.042 0.000 1.039 259 V CA 1.314 63.592 62.300 -0.037 0.000 1.045 259 V CB -0.390 31.413 31.823 -0.032 0.000 0.681 259 V HN 0.243 nan 8.190 nan 0.000 0.459 260 R N -0.597 119.955 120.500 0.087 0.000 2.075 260 R HA -0.173 4.149 4.340 -0.030 0.000 0.232 260 R C 2.349 178.747 176.300 0.164 0.000 1.126 260 R CA 1.937 58.115 56.100 0.131 0.000 0.963 260 R CB -0.652 29.741 30.300 0.154 0.000 0.858 260 R HN 0.642 nan 8.270 nan 0.000 0.435 261 Y N 1.198 121.576 120.300 0.131 0.000 2.114 261 Y HA -0.262 4.270 4.550 -0.030 0.000 0.282 261 Y C 2.287 178.251 175.900 0.107 0.000 1.165 261 Y CA 1.579 59.775 58.100 0.160 0.000 1.148 261 Y CB -0.100 38.514 38.460 0.255 0.000 0.972 261 Y HN -0.079 nan 8.280 nan 0.000 0.504 262 M N -0.444 119.137 119.600 -0.032 0.000 2.358 262 M HA -0.157 4.306 4.480 -0.030 0.000 0.264 262 M C 1.874 178.134 176.300 -0.068 0.000 1.064 262 M CA 1.004 56.241 55.300 -0.106 0.000 1.093 262 M CB -0.734 31.877 32.600 0.018 0.000 1.401 262 M HN 0.320 nan 8.290 nan 0.000 0.440 263 V N -0.438 119.482 119.914 0.010 0.000 2.346 263 V HA -0.121 3.981 4.120 -0.030 0.000 0.244 263 V C 2.600 178.806 176.094 0.187 0.000 1.037 263 V CA 1.543 63.900 62.300 0.095 0.000 1.029 263 V CB -1.492 30.425 31.823 0.157 0.000 0.663 263 V HN 0.443 nan 8.190 nan 0.000 0.454 264 A N 0.471 123.356 122.820 0.109 0.000 1.902 264 A HA -0.312 3.990 4.320 -0.030 0.000 0.217 264 A C 1.993 179.585 177.584 0.013 0.000 1.181 264 A CA 2.171 54.252 52.037 0.073 0.000 0.623 264 A CB -0.854 18.119 19.000 -0.044 0.000 0.818 264 A HN 0.582 nan 8.150 nan 0.000 0.443 265 D N -0.216 120.060 120.400 -0.207 0.000 2.311 265 D HA -0.146 4.476 4.640 -0.030 0.000 0.212 265 D C 1.120 177.382 176.300 -0.064 0.000 0.972 265 D CA 1.537 55.385 54.000 -0.253 0.000 0.887 265 D CB -0.012 40.450 40.800 -0.564 0.000 0.915 265 D HN 0.682 nan 8.370 nan 0.000 0.497 266 K N -1.690 118.713 120.400 0.004 0.000 2.895 266 K HA 0.094 4.396 4.320 -0.030 0.000 0.200 266 K C 0.526 177.161 176.600 0.058 0.000 1.133 266 K CA -0.490 55.814 56.287 0.029 0.000 1.060 266 K CB -0.718 31.778 32.500 -0.006 0.000 0.735 266 K HN -0.035 nan 8.250 nan 0.000 0.451 267 F N 3.148 123.088 119.950 -0.017 0.000 2.216 267 F HA -0.223 4.286 4.527 -0.030 0.000 0.300 267 F C 2.400 178.194 175.800 -0.009 0.000 1.085 267 F CA 2.306 60.290 58.000 -0.026 0.000 1.326 267 F CB 0.229 39.203 39.000 -0.043 0.000 1.027 267 F HN 0.288 nan 8.300 nan 0.000 0.497 268 T N -3.040 111.621 114.554 0.179 0.000 2.985 268 T HA -0.106 4.226 4.350 -0.030 0.000 0.266 268 T C 1.619 176.360 174.700 0.069 0.000 1.076 268 T CA 1.180 63.376 62.100 0.159 0.000 1.135 268 T CB -0.430 68.532 68.868 0.157 0.000 0.890 268 T HN 0.374 nan 8.240 nan 0.000 0.480 269 E N 1.351 121.569 120.200 0.029 0.000 2.106 269 E HA 0.032 4.364 4.350 -0.030 0.000 0.192 269 E C 2.231 178.806 176.600 -0.041 0.000 0.984 269 E CA 0.790 57.189 56.400 -0.002 0.000 0.806 269 E CB -0.380 29.318 29.700 -0.004 0.000 0.750 269 E HN 0.450 nan 8.360 nan 0.000 0.458 270 L N 1.330 122.496 121.223 -0.096 0.000 2.046 270 L HA -0.260 4.062 4.340 -0.030 0.000 0.208 270 L C 2.943 179.742 176.870 -0.118 0.000 1.077 270 L CA 1.789 56.534 54.840 -0.157 0.000 0.747 270 L CB -0.494 41.368 42.059 -0.328 0.000 0.896 270 L HN 0.204 nan 8.230 nan 0.000 0.432 271 Q N 0.253 120.010 119.800 -0.073 0.000 2.083 271 Q HA -0.189 4.133 4.340 -0.030 0.000 0.198 271 Q C 1.465 177.471 176.000 0.010 0.000 0.969 271 Q CA 1.241 57.052 55.803 0.013 0.000 0.838 271 Q CB -0.264 28.579 28.738 0.174 0.000 0.900 271 Q HN 0.267 nan 8.270 nan 0.000 0.436 272 K N 0.054 120.461 120.400 0.012 0.000 2.836 272 K HA 0.201 4.504 4.320 -0.030 0.000 0.236 272 K C 0.202 176.793 176.600 -0.015 0.000 1.015 272 K CA 0.377 56.665 56.287 0.001 0.000 1.194 272 K CB 0.290 32.796 32.500 0.010 0.000 1.002 272 K HN 0.417 nan 8.250 nan 0.000 0.479 273 A N -0.799 122.005 122.820 -0.027 0.000 2.533 273 A HA 0.082 4.384 4.320 -0.030 0.000 0.180 273 A C 0.983 178.542 177.584 -0.042 0.000 1.566 273 A CA -0.215 51.799 52.037 -0.039 0.000 1.153 273 A CB 0.721 19.690 19.000 -0.052 0.000 1.462 273 A HN 0.157 nan 8.150 nan 0.000 0.523 274 V N -0.272 119.620 119.914 -0.037 0.000 3.528 274 V HA 0.485 4.587 4.120 -0.030 0.000 0.294 274 V C 1.005 177.088 176.094 -0.019 0.000 1.404 274 V CA 1.384 63.664 62.300 -0.033 0.000 1.065 274 V CB -0.033 31.765 31.823 -0.042 0.000 0.904 274 V HN 1.600 nan 8.190 nan 0.000 0.435 275 G N 1.212 110.002 108.800 -0.016 0.000 2.828 275 G HA2 -0.155 3.787 3.960 -0.030 0.000 0.463 275 G HA3 -0.155 3.787 3.960 -0.030 0.000 0.463 275 G C -1.883 173.010 174.900 -0.011 0.000 1.394 275 G CA -0.078 45.013 45.100 -0.015 0.000 0.862 275 G HN 0.222 nan 8.290 nan 0.000 0.540 276 P HA 0.141 nan 4.420 nan 0.000 0.235 276 P C 1.338 178.629 177.300 -0.015 0.000 1.177 276 P CA 1.233 64.317 63.100 -0.027 0.000 0.785 276 P CB 0.234 31.912 31.700 -0.037 0.000 0.885 277 E N 0.303 120.499 120.200 -0.007 0.000 2.007 277 E HA -0.109 4.223 4.350 -0.030 0.000 0.194 277 E C 1.858 178.468 176.600 0.017 0.000 0.999 277 E CA 1.114 57.515 56.400 0.002 0.000 0.811 277 E CB -0.633 29.068 29.700 0.001 0.000 0.762 277 E HN 0.201 nan 8.360 nan 0.000 0.450 278 I N 1.247 121.828 120.570 0.019 0.000 2.756 278 I HA -0.183 3.969 4.170 -0.030 0.000 0.262 278 I C 2.249 178.403 176.117 0.063 0.000 1.225 278 I CA 0.727 62.047 61.300 0.033 0.000 1.472 278 I CB -0.110 37.902 38.000 0.019 0.000 1.094 278 I HN 0.111 nan 8.210 nan 0.000 0.454 279 T N 0.214 114.808 114.554 0.067 0.000 2.701 279 T HA -0.191 4.141 4.350 -0.030 0.000 0.263 279 T C 2.013 176.796 174.700 0.138 0.000 1.040 279 T CA 1.189 63.368 62.100 0.132 0.000 1.147 279 T CB -0.083 68.838 68.868 0.088 0.000 0.865 279 T HN 0.257 nan 8.240 nan 0.000 0.426 280 K N 0.263 120.700 120.400 0.061 0.000 2.211 280 K HA -0.082 4.221 4.320 -0.030 0.000 0.203 280 K C 2.137 178.778 176.600 0.068 0.000 1.050 280 K CA 1.200 57.516 56.287 0.047 0.000 0.945 280 K CB -0.029 32.476 32.500 0.007 0.000 0.732 280 K HN 0.346 nan 8.250 nan 0.000 0.451 281 T N 0.226 114.820 114.554 0.067 0.000 2.755 281 T HA -0.041 4.291 4.350 -0.030 0.000 0.251 281 T C 1.044 175.798 174.700 0.091 0.000 1.044 281 T CA 1.435 63.574 62.100 0.065 0.000 1.154 281 T CB -0.227 68.670 68.868 0.048 0.000 0.866 281 T HN 0.229 nan 8.240 nan 0.000 0.416 282 D N 0.544 121.006 120.400 0.103 0.000 2.369 282 D HA 0.251 4.873 4.640 -0.030 0.000 0.231 282 D C 2.166 178.581 176.300 0.191 0.000 0.967 282 D CA 0.165 54.236 54.000 0.120 0.000 0.905 282 D CB -0.139 40.714 40.800 0.088 0.000 1.044 282 D HN 0.105 nan 8.370 nan 0.000 0.487 283 L N 0.623 121.988 121.223 0.237 0.000 2.017 283 L HA -0.135 4.187 4.340 -0.030 0.000 0.208 283 L C 2.319 179.500 176.870 0.518 0.000 1.073 283 L CA 0.774 55.868 54.840 0.422 0.000 0.745 283 L CB -0.469 41.833 42.059 0.406 0.000 0.894 283 L HN 0.013 nan 8.230 nan 0.000 0.432 284 V N 0.167 120.351 119.914 0.450 0.000 2.332 284 V HA -0.186 3.916 4.120 -0.030 0.000 0.248 284 V C -0.230 176.037 176.094 0.289 0.000 1.055 284 V CA 2.089 64.644 62.300 0.426 0.000 1.038 284 V CB -1.634 30.368 31.823 0.298 0.000 0.651 284 V HN 0.350 nan 8.190 nan 0.000 0.450 285 P HA -0.088 nan 4.420 nan 0.000 0.220 285 P C 1.558 178.937 177.300 0.131 0.000 1.148 285 P CA 1.765 64.952 63.100 0.145 0.000 0.803 285 P CB -0.079 31.690 31.700 0.115 0.000 0.782 286 A N -1.174 121.760 122.820 0.191 0.000 1.898 286 A HA -0.136 4.166 4.320 -0.030 0.000 0.214 286 A C 2.048 179.626 177.584 -0.009 0.000 1.183 286 A CA 0.897 53.039 52.037 0.175 0.000 0.622 286 A CB -1.771 17.441 19.000 0.354 0.000 0.824 286 A HN 0.102 nan 8.150 nan 0.000 0.444 287 F N 0.963 120.706 119.950 -0.345 0.000 2.120 287 F HA -0.280 4.229 4.527 -0.030 0.000 0.300 287 F C 2.451 178.044 175.800 -0.345 0.000 1.095 287 F CA 2.365 59.911 58.000 -0.756 0.000 1.249 287 F CB -0.395 38.071 39.000 -0.891 0.000 0.995 287 F HN 0.322 nan 8.300 nan 0.000 0.480 288 Q N -0.174 119.583 119.800 -0.072 0.000 2.135 288 Q HA -0.226 4.096 4.340 -0.030 0.000 0.204 288 Q C 1.873 177.782 176.000 -0.152 0.000 0.981 288 Q CA 1.745 57.498 55.803 -0.083 0.000 0.856 288 Q CB -0.252 28.506 28.738 0.035 0.000 0.902 288 Q HN 0.480 nan 8.270 nan 0.000 0.425 289 N N -0.249 118.376 118.700 -0.124 0.000 2.333 289 N HA -0.073 4.650 4.740 -0.030 0.000 0.178 289 N C 1.482 176.904 175.510 -0.147 0.000 1.018 289 N CA 0.589 53.581 53.050 -0.097 0.000 0.882 289 N CB 0.040 38.506 38.487 -0.035 0.000 0.984 289 N HN 0.147 nan 8.380 nan 0.000 0.434 290 L N 1.332 122.411 121.223 -0.240 0.000 2.131 290 L HA 0.051 4.374 4.340 -0.030 0.000 0.210 290 L C 2.126 178.806 176.870 -0.317 0.000 1.092 290 L CA 1.188 55.865 54.840 -0.271 0.000 0.759 290 L CB -0.927 40.897 42.059 -0.391 0.000 0.903 290 L HN 0.191 nan 8.230 nan 0.000 0.435 291 M N -1.445 117.898 119.600 -0.428 0.000 2.394 291 M HA -0.157 4.306 4.480 -0.030 0.000 0.264 291 M C 1.572 177.760 176.300 -0.186 0.000 1.073 291 M CA 1.244 56.336 55.300 -0.348 0.000 1.111 291 M CB -0.094 32.258 32.600 -0.413 0.000 1.401 291 M HN 0.105 nan 8.290 nan 0.000 0.448 292 K N -0.486 119.827 120.400 -0.145 0.000 2.355 292 K HA 0.070 4.372 4.320 -0.030 0.000 0.198 292 K C 0.291 176.852 176.600 -0.065 0.000 1.039 292 K CA -0.202 56.033 56.287 -0.087 0.000 1.075 292 K CB 0.352 32.813 32.500 -0.064 0.000 0.870 292 K HN 0.170 nan 8.250 nan 0.000 0.540 293 D N 0.693 121.050 120.400 -0.070 0.000 2.563 293 D HA -0.130 4.492 4.640 -0.030 0.000 0.229 293 D C 1.231 177.509 176.300 -0.036 0.000 1.159 293 D CA 0.191 54.168 54.000 -0.038 0.000 0.869 293 D CB 0.915 41.700 40.800 -0.026 0.000 1.203 293 D HN 0.290 nan 8.370 nan 0.000 0.478 294 C N 2.120 121.406 119.300 -0.024 0.000 2.450 294 C HA 0.120 4.562 4.460 -0.030 0.000 0.279 294 C C 0.819 175.769 174.990 -0.067 0.000 1.335 294 C CA -0.395 58.599 59.018 -0.039 0.000 1.749 294 C CB -0.443 27.281 27.740 -0.028 0.000 1.963 294 C HN 0.438 nan 8.230 nan 0.000 0.501 295 E N 1.333 121.492 120.200 -0.067 0.000 2.180 295 E HA 0.420 4.752 4.350 -0.030 0.000 0.283 295 E C 1.115 177.645 176.600 -0.118 0.000 1.061 295 E CA 0.419 56.731 56.400 -0.147 0.000 0.861 295 E CB 1.278 30.859 29.700 -0.197 0.000 1.056 295 E HN 0.506 nan 8.360 nan 0.000 0.407 296 A N 4.737 127.466 122.820 -0.152 0.000 1.940 296 A HA -0.245 4.057 4.320 -0.030 0.000 0.219 296 A C 1.702 179.244 177.584 -0.070 0.000 1.176 296 A CA 1.517 53.490 52.037 -0.106 0.000 0.631 296 A CB -0.240 18.688 19.000 -0.121 0.000 0.814 296 A HN 0.634 nan 8.150 nan 0.000 0.446 297 E N -0.130 120.001 120.200 -0.116 0.000 2.110 297 E HA -0.124 4.208 4.350 -0.030 0.000 0.193 297 E C 1.985 178.718 176.600 0.222 0.000 0.988 297 E CA 1.312 57.708 56.400 -0.008 0.000 0.804 297 E CB -0.447 29.151 29.700 -0.170 0.000 0.745 297 E HN 0.465 nan 8.360 nan 0.000 0.458 298 V N 1.736 121.774 119.914 0.206 0.000 2.287 298 V HA -0.279 3.823 4.120 -0.030 0.000 0.248 298 V C 2.356 178.496 176.094 0.076 0.000 1.053 298 V CA 1.895 64.327 62.300 0.220 0.000 1.027 298 V CB -0.620 31.299 31.823 0.160 0.000 0.646 298 V HN 0.204 nan 8.190 nan 0.000 0.447 299 R N 0.245 120.750 120.500 0.009 0.000 2.070 299 R HA -0.105 4.217 4.340 -0.030 0.000 0.233 299 R C 2.518 178.794 176.300 -0.040 0.000 1.137 299 R CA 1.536 57.602 56.100 -0.056 0.000 0.945 299 R CB -0.754 29.507 30.300 -0.065 0.000 0.845 299 R HN 0.527 nan 8.270 nan 0.000 0.430 300 A N 1.390 124.218 122.820 0.013 0.000 1.940 300 A HA -0.151 4.151 4.320 -0.030 0.000 0.219 300 A C 2.389 180.022 177.584 0.081 0.000 1.176 300 A CA 1.813 53.863 52.037 0.022 0.000 0.631 300 A CB -0.621 18.427 19.000 0.079 0.000 0.814 300 A HN 0.428 nan 8.150 nan 0.000 0.446 301 A N -0.191 122.741 122.820 0.187 0.000 1.902 301 A HA 0.158 4.460 4.320 -0.030 0.000 0.217 301 A C 2.517 180.171 177.584 0.117 0.000 1.181 301 A CA 2.118 54.291 52.037 0.226 0.000 0.623 301 A CB -1.022 18.089 19.000 0.185 0.000 0.818 301 A HN 1.064 nan 8.150 nan 0.000 0.443 302 A N -0.242 122.572 122.820 -0.010 0.000 1.877 302 A HA -0.076 4.226 4.320 -0.030 0.000 0.216 302 A C 2.425 179.986 177.584 -0.038 0.000 1.186 302 A CA 2.100 54.052 52.037 -0.142 0.000 0.620 302 A CB -0.952 17.797 19.000 -0.418 0.000 0.822 302 A HN 0.501 nan 8.150 nan 0.000 0.443 303 S N -0.465 115.198 115.700 -0.060 0.000 2.383 303 S HA -0.191 4.261 4.470 -0.030 0.000 0.229 303 S C 1.784 176.407 174.600 0.040 0.000 1.030 303 S CA 1.244 59.428 58.200 -0.026 0.000 1.002 303 S CB -0.652 62.483 63.200 -0.109 0.000 0.829 303 S HN 0.681 nan 8.310 nan 0.000 0.467 304 H N 1.223 120.347 119.070 0.090 0.000 2.518 304 H HA 0.066 4.604 4.556 -0.030 0.000 0.292 304 H C 1.668 177.070 175.328 0.123 0.000 1.068 304 H CA 0.940 57.048 56.048 0.099 0.000 1.275 304 H CB 0.106 29.922 29.762 0.091 0.000 1.375 304 H HN 0.238 nan 8.280 nan 0.000 0.563 305 K N 0.174 120.739 120.400 0.275 0.000 2.284 305 K HA 0.029 4.332 4.320 -0.030 0.000 0.198 305 K C 2.301 179.052 176.600 0.252 0.000 1.048 305 K CA 0.073 56.516 56.287 0.260 0.000 0.987 305 K CB -0.309 32.365 32.500 0.291 0.000 0.800 305 K HN 0.039 nan 8.250 nan 0.000 0.486 306 V N 2.527 122.627 119.914 0.309 0.000 2.233 306 V HA -0.386 3.716 4.120 -0.030 0.000 0.256 306 V C 2.595 178.792 176.094 0.171 0.000 1.069 306 V CA 2.454 64.923 62.300 0.283 0.000 1.054 306 V CB -0.500 31.464 31.823 0.235 0.000 0.664 306 V HN 0.414 nan 8.190 nan 0.000 0.453 307 K N -0.450 120.033 120.400 0.139 0.000 2.009 307 K HA -0.254 4.048 4.320 -0.030 0.000 0.210 307 K C 2.183 178.831 176.600 0.080 0.000 1.049 307 K CA 2.260 58.604 56.287 0.094 0.000 0.929 307 K CB -0.248 32.304 32.500 0.087 0.000 0.714 307 K HN 0.621 nan 8.250 nan 0.000 0.440 308 E N -0.367 119.896 120.200 0.106 0.000 2.077 308 E HA -0.195 4.137 4.350 -0.030 0.000 0.193 308 E C 1.865 178.528 176.600 0.104 0.000 0.989 308 E CA 1.346 57.803 56.400 0.096 0.000 0.800 308 E CB -0.186 29.582 29.700 0.114 0.000 0.746 308 E HN 0.350 nan 8.360 nan 0.000 0.452 309 F N 0.787 120.694 119.950 -0.072 0.000 2.051 309 F HA -0.282 4.227 4.527 -0.030 0.000 0.296 309 F C 2.334 178.047 175.800 -0.145 0.000 1.122 309 F CA 1.269 59.171 58.000 -0.164 0.000 1.201 309 F CB -0.154 38.576 39.000 -0.449 0.000 0.978 309 F HN 0.054 nan 8.300 nan 0.000 0.472 310 C N 0.279 119.476 119.300 -0.171 0.000 2.411 310 C HA -0.197 4.246 4.460 -0.030 0.000 0.279 310 C C 2.528 177.418 174.990 -0.168 0.000 1.288 310 C CA 1.423 60.308 59.018 -0.222 0.000 1.764 310 C CB -1.404 26.289 27.740 -0.078 0.000 1.974 310 C HN 0.587 nan 8.230 nan 0.000 0.498 311 E N 0.887 121.031 120.200 -0.093 0.000 2.204 311 E HA -0.127 4.205 4.350 -0.030 0.000 0.194 311 E C 1.801 178.350 176.600 -0.086 0.000 0.989 311 E CA 0.948 57.309 56.400 -0.065 0.000 0.824 311 E CB 0.061 29.750 29.700 -0.019 0.000 0.756 311 E HN 0.611 nan 8.360 nan 0.000 0.477 312 N N 0.325 118.950 118.700 -0.125 0.000 2.436 312 N HA 0.012 4.734 4.740 -0.030 0.000 0.178 312 N C 0.268 175.692 175.510 -0.143 0.000 1.026 312 N CA 0.190 53.175 53.050 -0.108 0.000 0.880 312 N CB -0.216 38.233 38.487 -0.064 0.000 1.061 312 N HN 0.132 nan 8.380 nan 0.000 0.434 313 L N 2.109 123.186 121.223 -0.244 0.000 2.573 313 L HA 0.066 4.388 4.340 -0.030 0.000 0.290 313 L C 1.025 177.812 176.870 -0.139 0.000 1.247 313 L CA 0.019 54.728 54.840 -0.219 0.000 0.876 313 L CB -0.997 40.875 42.059 -0.312 0.000 1.123 313 L HN 0.071 nan 8.230 nan 0.000 0.505 314 S N 1.777 117.417 115.700 -0.100 0.000 2.572 314 S HA 0.239 4.691 4.470 -0.030 0.000 0.267 314 S C 1.424 175.985 174.600 -0.065 0.000 1.361 314 S CA -0.061 58.097 58.200 -0.070 0.000 1.009 314 S CB 1.026 64.195 63.200 -0.052 0.000 0.888 314 S HN 0.930 nan 8.310 nan 0.000 0.553 315 A N 0.968 123.758 122.820 -0.050 0.000 2.032 315 A HA -0.150 4.152 4.320 -0.030 0.000 0.221 315 A C 1.917 179.477 177.584 -0.040 0.000 1.165 315 A CA 1.810 53.821 52.037 -0.043 0.000 0.645 315 A CB -0.941 18.039 19.000 -0.033 0.000 0.807 315 A HN 0.932 nan 8.150 nan 0.000 0.453 316 D N -0.695 119.681 120.400 -0.039 0.000 2.103 316 D HA -0.109 4.513 4.640 -0.030 0.000 0.199 316 D C 2.076 178.353 176.300 -0.037 0.000 0.978 316 D CA 1.837 55.817 54.000 -0.033 0.000 0.829 316 D CB -0.100 40.683 40.800 -0.028 0.000 0.981 316 D HN 0.639 nan 8.370 nan 0.000 0.464 317 C N -0.323 118.948 119.300 -0.048 0.000 2.912 317 C HA 0.407 4.849 4.460 -0.030 0.000 0.274 317 C C 2.344 177.294 174.990 -0.067 0.000 1.248 317 C CA -0.588 58.400 59.018 -0.051 0.000 1.694 317 C CB -0.268 27.442 27.740 -0.050 0.000 2.024 317 C HN 0.130 nan 8.230 nan 0.000 0.605 318 R N 1.760 122.213 120.500 -0.077 0.000 2.179 318 R HA -0.303 4.019 4.340 -0.030 0.000 0.238 318 R C 2.265 178.517 176.300 -0.081 0.000 1.119 318 R CA 2.836 58.881 56.100 -0.091 0.000 0.915 318 R CB -0.522 29.732 30.300 -0.077 0.000 0.870 318 R HN 0.669 nan 8.270 nan 0.000 0.432 319 E N 0.062 120.225 120.200 -0.062 0.000 2.077 319 E HA -0.184 4.148 4.350 -0.030 0.000 0.193 319 E C 1.475 178.038 176.600 -0.061 0.000 0.989 319 E CA 2.247 58.613 56.400 -0.057 0.000 0.800 319 E CB -0.177 29.496 29.700 -0.044 0.000 0.746 319 E HN 0.506 nan 8.360 nan 0.000 0.452 320 N N 0.309 118.978 118.700 -0.052 0.000 2.028 320 N HA -0.168 4.555 4.740 -0.030 0.000 0.194 320 N C 1.959 177.441 175.510 -0.046 0.000 1.050 320 N CA 2.210 55.233 53.050 -0.045 0.000 0.848 320 N CB -1.006 37.461 38.487 -0.034 0.000 1.038 320 N HN 0.272 nan 8.380 nan 0.000 0.423 321 V N -0.966 118.920 119.914 -0.048 0.000 2.828 321 V HA -0.084 4.018 4.120 -0.030 0.000 0.260 321 V C 1.705 177.777 176.094 -0.036 0.000 1.101 321 V CA 1.323 63.600 62.300 -0.039 0.000 1.123 321 V CB -0.922 30.867 31.823 -0.057 0.000 0.704 321 V HN 0.279 nan 8.190 nan 0.000 0.493 322 I N -0.832 119.705 120.570 -0.056 0.000 2.339 322 I HA -0.064 4.089 4.170 -0.030 0.000 0.245 322 I C 2.724 178.811 176.117 -0.050 0.000 1.096 322 I CA 1.336 62.608 61.300 -0.046 0.000 1.408 322 I CB -0.305 37.660 38.000 -0.059 0.000 1.092 322 I HN 0.219 nan 8.210 nan 0.000 0.423 323 M N -0.421 119.127 119.600 -0.086 0.000 2.296 323 M HA -0.125 4.337 4.480 -0.030 0.000 0.265 323 M C 2.240 178.486 176.300 -0.090 0.000 1.064 323 M CA 1.580 56.794 55.300 -0.142 0.000 1.109 323 M CB -1.135 31.354 32.600 -0.185 0.000 1.396 323 M HN 0.250 nan 8.290 nan 0.000 0.430 324 T N -0.963 113.564 114.554 -0.046 0.000 3.042 324 T HA 0.075 4.407 4.350 -0.030 0.000 0.245 324 T C 1.724 176.430 174.700 0.009 0.000 1.029 324 T CA 0.679 62.768 62.100 -0.018 0.000 1.120 324 T CB 0.528 69.388 68.868 -0.013 0.000 0.917 324 T HN 0.375 nan 8.240 nan 0.000 0.467 325 Q N -0.710 119.104 119.800 0.024 0.000 2.477 325 Q HA 0.381 4.703 4.340 -0.030 0.000 0.252 325 Q C 1.871 177.927 176.000 0.094 0.000 0.869 325 Q CA 0.250 56.087 55.803 0.058 0.000 0.969 325 Q CB 0.673 29.452 28.738 0.069 0.000 1.144 325 Q HN 0.449 nan 8.270 nan 0.000 0.577 326 I N 0.181 120.811 120.570 0.099 0.000 2.867 326 I HA -0.113 4.039 4.170 -0.030 0.000 0.265 326 I C 1.984 178.169 176.117 0.114 0.000 1.162 326 I CA 0.259 61.655 61.300 0.160 0.000 1.471 326 I CB 0.133 38.241 38.000 0.180 0.000 1.123 326 I HN 0.115 nan 8.210 nan 0.000 0.440 327 L N 2.286 123.544 121.223 0.058 0.000 1.994 327 L HA -0.064 4.258 4.340 -0.030 0.000 0.208 327 L C -0.522 176.375 176.870 0.045 0.000 1.071 327 L CA 2.382 57.245 54.840 0.040 0.000 0.745 327 L CB -1.424 40.631 42.059 -0.007 0.000 0.892 327 L HN 0.035 nan 8.230 nan 0.000 0.431 328 P HA -0.215 nan 4.420 nan 0.000 0.218 328 P C 1.962 179.280 177.300 0.031 0.000 1.154 328 P CA 1.967 65.087 63.100 0.033 0.000 0.872 328 P CB -0.291 31.427 31.700 0.030 0.000 0.790 329 C N -1.012 118.310 119.300 0.036 0.000 2.388 329 C HA -0.165 4.277 4.460 -0.030 0.000 0.277 329 C C 2.621 177.620 174.990 0.014 0.000 1.210 329 C CA 0.808 59.837 59.018 0.017 0.000 1.743 329 C CB -1.810 25.945 27.740 0.024 0.000 2.047 329 C HN 0.186 nan 8.230 nan 0.000 0.458 330 I N 1.077 121.671 120.570 0.039 0.000 2.248 330 I HA -0.217 3.935 4.170 -0.030 0.000 0.248 330 I C 2.399 178.532 176.117 0.027 0.000 1.107 330 I CA 1.713 63.036 61.300 0.038 0.000 1.373 330 I CB -1.396 36.641 38.000 0.061 0.000 1.055 330 I HN 0.517 nan 8.210 nan 0.000 0.418 331 K N 0.650 121.069 120.400 0.031 0.000 2.063 331 K HA -0.217 4.085 4.320 -0.030 0.000 0.208 331 K C 2.052 178.660 176.600 0.013 0.000 1.048 331 K CA 1.570 57.874 56.287 0.028 0.000 0.928 331 K CB -0.097 32.423 32.500 0.033 0.000 0.713 331 K HN 0.234 nan 8.250 nan 0.000 0.442 332 E N 0.831 121.035 120.200 0.006 0.000 2.107 332 E HA -0.028 4.304 4.350 -0.030 0.000 0.191 332 E C 1.824 178.417 176.600 -0.013 0.000 0.982 332 E CA 0.563 56.960 56.400 -0.005 0.000 0.809 332 E CB 0.026 29.720 29.700 -0.010 0.000 0.756 332 E HN 0.160 nan 8.360 nan 0.000 0.459 333 L N -0.074 121.139 121.223 -0.016 0.000 2.275 333 L HA -0.092 4.230 4.340 -0.030 0.000 0.215 333 L C 1.993 178.852 176.870 -0.019 0.000 1.119 333 L CA 0.478 55.303 54.840 -0.025 0.000 0.790 333 L CB -0.160 41.878 42.059 -0.035 0.000 0.919 333 L HN 0.100 nan 8.230 nan 0.000 0.443 334 V N -0.685 119.224 119.914 -0.008 0.000 2.515 334 V HA -0.201 3.901 4.120 -0.030 0.000 0.250 334 V C 1.625 177.711 176.094 -0.014 0.000 1.058 334 V CA 1.585 63.881 62.300 -0.008 0.000 1.064 334 V CB -0.044 31.782 31.823 0.005 0.000 0.675 334 V HN 0.374 nan 8.190 nan 0.000 0.461 335 S N -0.364 115.329 115.700 -0.012 0.000 2.582 335 S HA 0.184 4.637 4.470 -0.030 0.000 0.249 335 S C 0.001 174.591 174.600 -0.017 0.000 1.072 335 S CA -0.402 57.790 58.200 -0.014 0.000 1.115 335 S CB -0.190 63.005 63.200 -0.009 0.000 0.790 335 S HN 0.622 nan 8.310 nan 0.000 0.459 336 D N 1.165 121.553 120.400 -0.020 0.000 2.357 336 D HA 0.495 5.118 4.640 -0.030 0.000 0.242 336 D C 1.182 177.471 176.300 -0.019 0.000 1.153 336 D CA 0.168 54.154 54.000 -0.022 0.000 0.918 336 D CB 0.751 41.535 40.800 -0.025 0.000 1.181 336 D HN 0.162 nan 8.370 nan 0.000 0.435 337 A N 3.204 126.012 122.820 -0.020 0.000 1.840 337 A HA -0.116 4.186 4.320 -0.030 0.000 0.214 337 A C 1.227 178.804 177.584 -0.012 0.000 1.198 337 A CA 0.570 52.596 52.037 -0.018 0.000 0.608 337 A CB -0.600 18.387 19.000 -0.022 0.000 0.839 337 A HN 0.730 nan 8.150 nan 0.000 0.443 338 N N 0.841 119.534 118.700 -0.011 0.000 2.447 338 N HA -0.038 4.685 4.740 -0.030 0.000 0.263 338 N C 1.110 176.637 175.510 0.028 0.000 1.226 338 N CA 0.657 53.712 53.050 0.009 0.000 0.906 338 N CB 0.782 39.267 38.487 -0.004 0.000 1.060 338 N HN 0.647 nan 8.380 nan 0.000 0.468 339 Q N 3.354 123.186 119.800 0.054 0.000 2.119 339 Q HA -0.156 4.167 4.340 -0.030 0.000 0.201 339 Q C 1.117 177.121 176.000 0.006 0.000 0.972 339 Q CA 1.219 57.033 55.803 0.018 0.000 0.847 339 Q CB -0.316 28.417 28.738 -0.008 0.000 0.903 339 Q HN 0.694 nan 8.270 nan 0.000 0.433 340 H N 0.246 119.298 119.070 -0.031 0.000 2.421 340 H HA -0.055 4.483 4.556 -0.030 0.000 0.298 340 H C 2.206 177.509 175.328 -0.042 0.000 1.087 340 H CA 1.475 57.509 56.048 -0.024 0.000 1.330 340 H CB 0.376 30.130 29.762 -0.013 0.000 1.388 340 H HN 0.157 nan 8.280 nan 0.000 0.526 341 V N 1.242 121.197 119.914 0.070 0.000 2.307 341 V HA -0.212 3.890 4.120 -0.030 0.000 0.245 341 V C 2.298 178.367 176.094 -0.042 0.000 1.045 341 V CA 1.517 63.813 62.300 -0.007 0.000 1.024 341 V CB -0.306 31.506 31.823 -0.018 0.000 0.651 341 V HN 0.326 nan 8.190 nan 0.000 0.449 342 K N -0.008 120.373 120.400 -0.032 0.000 2.103 342 K HA -0.170 4.132 4.320 -0.030 0.000 0.207 342 K C 2.464 179.030 176.600 -0.057 0.000 1.048 342 K CA 1.726 57.987 56.287 -0.043 0.000 0.930 342 K CB -0.297 32.180 32.500 -0.039 0.000 0.716 342 K HN 0.354 nan 8.250 nan 0.000 0.444 343 S N 0.631 116.291 115.700 -0.067 0.000 2.338 343 S HA -0.140 4.312 4.470 -0.030 0.000 0.218 343 S C 2.134 176.687 174.600 -0.079 0.000 1.032 343 S CA 1.212 59.367 58.200 -0.075 0.000 0.999 343 S CB -0.292 62.845 63.200 -0.106 0.000 0.905 343 S HN 0.456 nan 8.310 nan 0.000 0.439 344 A N 1.430 124.171 122.820 -0.133 0.000 1.927 344 A HA -0.154 4.148 4.320 -0.030 0.000 0.220 344 A C 2.150 179.588 177.584 -0.244 0.000 1.185 344 A CA 1.586 53.409 52.037 -0.357 0.000 0.639 344 A CB -0.902 17.726 19.000 -0.621 0.000 0.820 344 A HN 0.496 nan 8.150 nan 0.000 0.451 345 L N -1.049 120.092 121.223 -0.137 0.000 2.017 345 L HA -0.172 4.151 4.340 -0.030 0.000 0.208 345 L C 2.959 179.817 176.870 -0.019 0.000 1.073 345 L CA 1.457 56.260 54.840 -0.062 0.000 0.745 345 L CB -0.491 41.544 42.059 -0.039 0.000 0.894 345 L HN 0.445 nan 8.230 nan 0.000 0.432 346 A N -0.297 122.508 122.820 -0.025 0.000 1.902 346 A HA -0.225 4.077 4.320 -0.030 0.000 0.217 346 A C 2.271 179.868 177.584 0.022 0.000 1.181 346 A CA 1.877 53.910 52.037 -0.006 0.000 0.623 346 A CB -0.809 18.169 19.000 -0.037 0.000 0.818 346 A HN 0.631 nan 8.150 nan 0.000 0.443 347 S N -0.691 115.022 115.700 0.022 0.000 2.603 347 S HA 0.097 4.549 4.470 -0.030 0.000 0.229 347 S C 1.132 175.784 174.600 0.087 0.000 0.972 347 S CA 1.045 59.281 58.200 0.061 0.000 0.935 347 S CB -0.351 62.903 63.200 0.090 0.000 0.769 347 S HN 1.262 nan 8.310 nan 0.000 0.536 348 V N -3.066 116.893 119.914 0.076 0.000 3.332 348 V HA 0.412 4.514 4.120 -0.030 0.000 0.263 348 V C 1.591 177.737 176.094 0.086 0.000 1.562 348 V CA 0.076 62.432 62.300 0.093 0.000 1.040 348 V CB -0.688 31.203 31.823 0.113 0.000 0.857 348 V HN 0.352 nan 8.190 nan 0.000 0.428 349 I N 0.306 120.925 120.570 0.082 0.000 2.127 349 I HA -0.181 3.971 4.170 -0.030 0.000 0.241 349 I C 2.430 178.603 176.117 0.094 0.000 1.075 349 I CA 2.147 63.501 61.300 0.090 0.000 1.334 349 I CB 0.080 38.138 38.000 0.095 0.000 1.040 349 I HN 0.238 nan 8.210 nan 0.000 0.405 350 M N 0.717 120.385 119.600 0.113 0.000 2.557 350 M HA -0.023 4.439 4.480 -0.030 0.000 0.259 350 M C 2.177 178.502 176.300 0.041 0.000 1.086 350 M CA 1.059 56.407 55.300 0.080 0.000 1.096 350 M CB -1.837 30.826 32.600 0.106 0.000 1.424 350 M HN 0.416 nan 8.290 nan 0.000 0.488 351 G N 0.367 109.200 108.800 0.054 0.000 2.532 351 G HA2 -0.211 3.731 3.960 -0.030 0.000 0.222 351 G HA3 -0.211 3.731 3.960 -0.030 0.000 0.222 351 G C 1.584 176.501 174.900 0.028 0.000 1.102 351 G CA 0.580 45.705 45.100 0.041 0.000 0.742 351 G HN 0.459 nan 8.290 nan 0.000 0.577 352 L N 0.722 121.964 121.223 0.031 0.000 2.291 352 L HA -0.041 4.281 4.340 -0.030 0.000 0.214 352 L C 3.043 179.914 176.870 0.001 0.000 1.120 352 L CA 0.697 55.548 54.840 0.018 0.000 0.799 352 L CB -0.244 41.832 42.059 0.030 0.000 0.925 352 L HN 0.151 nan 8.230 nan 0.000 0.446 353 S N 0.617 116.312 115.700 -0.009 0.000 2.365 353 S HA -0.126 4.326 4.470 -0.030 0.000 0.225 353 S C -0.457 174.128 174.600 -0.025 0.000 1.039 353 S CA 1.812 59.994 58.200 -0.030 0.000 1.033 353 S CB -1.244 61.918 63.200 -0.062 0.000 0.887 353 S HN 0.414 nan 8.310 nan 0.000 0.447 354 P HA 0.096 nan 4.420 nan 0.000 0.225 354 P C 1.135 178.424 177.300 -0.017 0.000 1.156 354 P CA 0.786 63.876 63.100 -0.018 0.000 0.787 354 P CB -0.290 31.402 31.700 -0.013 0.000 0.802 355 I N -1.132 119.428 120.570 -0.016 0.000 2.916 355 I HA -0.086 4.067 4.170 -0.030 0.000 0.267 355 I C 1.922 178.025 176.117 -0.024 0.000 1.263 355 I CA 1.015 62.303 61.300 -0.021 0.000 1.471 355 I CB -0.417 37.569 38.000 -0.023 0.000 1.089 355 I HN -0.115 nan 8.210 nan 0.000 0.468 356 L N -0.077 121.135 121.223 -0.018 0.000 2.858 356 L HA 0.434 4.756 4.340 -0.030 0.000 0.251 356 L C 0.976 177.841 176.870 -0.008 0.000 1.149 356 L CA -0.118 54.713 54.840 -0.014 0.000 0.955 356 L CB 0.273 42.328 42.059 -0.006 0.000 1.289 356 L HN 0.357 nan 8.230 nan 0.000 0.542 357 G N 1.184 109.977 108.800 -0.012 0.000 2.796 357 G HA2 -0.291 3.651 3.960 -0.030 0.000 0.571 357 G HA3 -0.291 3.651 3.960 -0.030 0.000 0.571 357 G C 0.263 175.154 174.900 -0.014 0.000 1.370 357 G CA 0.237 45.329 45.100 -0.012 0.000 0.856 357 G HN 0.133 nan 8.290 nan 0.000 0.538 358 K N -0.704 119.686 120.400 -0.017 0.000 1.991 358 K HA -0.063 4.239 4.320 -0.030 0.000 0.207 358 K C 2.017 178.605 176.600 -0.020 0.000 1.045 358 K CA 1.794 58.066 56.287 -0.025 0.000 0.937 358 K CB -0.249 32.235 32.500 -0.028 0.000 0.720 358 K HN 0.464 nan 8.250 nan 0.000 0.438 359 D N 0.697 121.091 120.400 -0.010 0.000 2.117 359 D HA -0.128 4.494 4.640 -0.030 0.000 0.197 359 D C 1.521 177.828 176.300 0.012 0.000 0.987 359 D CA 1.292 55.289 54.000 -0.006 0.000 0.829 359 D CB -0.419 40.379 40.800 -0.002 0.000 0.961 359 D HN 0.356 nan 8.370 nan 0.000 0.460 360 N N -0.639 118.086 118.700 0.043 0.000 2.331 360 N HA -0.067 4.655 4.740 -0.030 0.000 0.180 360 N C 1.528 177.103 175.510 0.108 0.000 1.019 360 N CA 0.872 53.994 53.050 0.122 0.000 0.881 360 N CB 0.100 38.664 38.487 0.128 0.000 0.972 360 N HN 0.004 nan 8.380 nan 0.000 0.435 361 T N 0.870 115.445 114.554 0.034 0.000 2.833 361 T HA -0.000 4.332 4.350 -0.030 0.000 0.269 361 T C 1.793 176.481 174.700 -0.020 0.000 1.054 361 T CA 0.708 62.809 62.100 0.003 0.000 1.135 361 T CB -0.054 68.788 68.868 -0.043 0.000 0.869 361 T HN 0.204 nan 8.240 nan 0.000 0.466 362 I N 1.247 121.797 120.570 -0.033 0.000 2.193 362 I HA -0.142 4.010 4.170 -0.030 0.000 0.240 362 I C 2.657 178.735 176.117 -0.066 0.000 1.084 362 I CA 1.456 62.724 61.300 -0.053 0.000 1.365 362 I CB -0.403 37.565 38.000 -0.053 0.000 1.064 362 I HN 0.428 nan 8.210 nan 0.000 0.410 363 E N -0.267 119.869 120.200 -0.107 0.000 2.285 363 E HA -0.156 4.176 4.350 -0.030 0.000 0.194 363 E C 1.737 178.134 176.600 -0.339 0.000 0.997 363 E CA 1.037 57.295 56.400 -0.238 0.000 0.845 363 E CB -0.091 29.411 29.700 -0.330 0.000 0.782 363 E HN 0.576 nan 8.360 nan 0.000 0.491 364 H N -0.315 118.754 119.070 -0.002 0.000 2.501 364 H HA 0.271 4.809 4.556 -0.030 0.000 0.281 364 H C 1.990 177.327 175.328 0.016 0.000 0.988 364 H CA 0.483 56.535 56.048 0.007 0.000 1.232 364 H CB 0.555 30.320 29.762 0.005 0.000 1.455 364 H HN 0.135 nan 8.280 nan 0.000 0.501 365 L N 0.199 121.494 121.223 0.120 0.000 2.316 365 L HA -0.018 4.305 4.340 -0.030 0.000 0.207 365 L C 2.352 179.272 176.870 0.083 0.000 1.070 365 L CA 0.170 55.061 54.840 0.086 0.000 0.820 365 L CB -0.016 42.070 42.059 0.045 0.000 0.992 365 L HN 0.046 nan 8.230 nan 0.000 0.466 366 L N 1.419 122.659 121.223 0.029 0.000 2.079 366 L HA -0.100 4.222 4.340 -0.030 0.000 0.210 366 L C -0.626 176.324 176.870 0.134 0.000 1.081 366 L CA 2.112 56.981 54.840 0.048 0.000 0.752 366 L CB -1.221 40.823 42.059 -0.025 0.000 0.896 366 L HN 0.097 nan 8.230 nan 0.000 0.433 367 P HA -0.088 nan 4.420 nan 0.000 0.223 367 P C 1.823 179.173 177.300 0.083 0.000 1.151 367 P CA 1.158 64.299 63.100 0.068 0.000 0.787 367 P CB 0.105 31.824 31.700 0.032 0.000 0.788 368 L N -2.038 119.249 121.223 0.108 0.000 2.013 368 L HA -0.061 4.262 4.340 -0.030 0.000 0.204 368 L C 2.297 179.236 176.870 0.115 0.000 1.081 368 L CA 1.050 55.948 54.840 0.097 0.000 0.751 368 L CB -1.280 40.840 42.059 0.101 0.000 0.901 368 L HN -0.100 nan 8.230 nan 0.000 0.440 369 F N 0.447 120.397 119.950 0.000 0.000 2.085 369 F HA -0.379 4.130 4.527 -0.030 0.000 0.293 369 F C 2.228 178.020 175.800 -0.015 0.000 1.062 369 F CA 1.763 59.758 58.000 -0.008 0.000 1.267 369 F CB -0.136 38.860 39.000 -0.008 0.000 1.001 369 F HN -0.023 nan 8.300 nan 0.000 0.492 370 L N -0.208 121.060 121.223 0.075 0.000 2.131 370 L HA 0.016 4.338 4.340 -0.030 0.000 0.206 370 L C 2.676 179.504 176.870 -0.071 0.000 1.087 370 L CA 1.768 56.588 54.840 -0.034 0.000 0.767 370 L CB -1.940 40.159 42.059 0.067 0.000 0.917 370 L HN 0.332 nan 8.230 nan 0.000 0.441 371 A N -1.422 121.380 122.820 -0.030 0.000 2.066 371 A HA -0.178 4.124 4.320 -0.030 0.000 0.218 371 A C 2.145 179.692 177.584 -0.062 0.000 1.157 371 A CA 0.946 52.962 52.037 -0.034 0.000 0.670 371 A CB -0.223 18.772 19.000 -0.008 0.000 0.804 371 A HN 0.491 nan 8.150 nan 0.000 0.453 372 Q N -1.401 118.342 119.800 -0.094 0.000 2.163 372 Q HA 0.006 4.328 4.340 -0.030 0.000 0.198 372 Q C 1.801 177.698 176.000 -0.172 0.000 0.954 372 Q CA 0.839 56.571 55.803 -0.119 0.000 0.851 372 Q CB -0.094 28.576 28.738 -0.113 0.000 0.928 372 Q HN 0.548 nan 8.270 nan 0.000 0.459 373 L N 0.977 122.043 121.223 -0.262 0.000 2.376 373 L HA -0.097 4.225 4.340 -0.030 0.000 0.219 373 L C 1.597 178.379 176.870 -0.147 0.000 1.133 373 L CA 1.548 56.232 54.840 -0.261 0.000 0.816 373 L CB 0.018 41.841 42.059 -0.393 0.000 0.933 373 L HN -0.043 nan 8.230 nan 0.000 0.449 374 K N -0.785 119.548 120.400 -0.111 0.000 2.418 374 K HA -0.028 4.275 4.320 -0.030 0.000 0.195 374 K C 0.344 176.911 176.600 -0.054 0.000 1.035 374 K CA -0.182 56.064 56.287 -0.068 0.000 1.003 374 K CB -0.004 32.466 32.500 -0.050 0.000 0.793 374 K HN 0.268 nan 8.250 nan 0.000 0.494 375 D N 1.745 122.107 120.400 -0.063 0.000 2.443 375 D HA -0.097 4.525 4.640 -0.030 0.000 0.234 375 D C 1.009 177.285 176.300 -0.040 0.000 1.172 375 D CA 0.484 54.454 54.000 -0.050 0.000 0.878 375 D CB 0.894 41.660 40.800 -0.057 0.000 1.204 375 D HN 0.068 nan 8.370 nan 0.000 0.453 376 E N 1.276 121.457 120.200 -0.031 0.000 2.216 376 E HA -0.051 4.282 4.350 -0.030 0.000 0.192 376 E C 0.949 177.535 176.600 -0.023 0.000 0.988 376 E CA -0.005 56.381 56.400 -0.022 0.000 0.834 376 E CB -0.804 28.886 29.700 -0.016 0.000 0.772 376 E HN 0.287 nan 8.360 nan 0.000 0.479 377 C N 3.451 122.731 119.300 -0.032 0.000 2.482 377 C HA 0.250 4.693 4.460 -0.030 0.000 0.378 377 C C -1.320 173.644 174.990 -0.044 0.000 1.284 377 C CA -1.726 57.269 59.018 -0.038 0.000 1.826 377 C CB 0.431 28.142 27.740 -0.048 0.000 2.473 377 C HN 0.049 nan 8.230 nan 0.000 0.562 378 P HA -0.068 nan 4.420 nan 0.000 0.220 378 P C 0.936 178.210 177.300 -0.043 0.000 1.148 378 P CA 1.351 64.432 63.100 -0.031 0.000 0.803 378 P CB 0.140 31.828 31.700 -0.021 0.000 0.782 379 E N -1.311 118.853 120.200 -0.059 0.000 2.482 379 E HA -0.040 4.292 4.350 -0.030 0.000 0.196 379 E C 1.636 178.195 176.600 -0.068 0.000 1.047 379 E CA 0.397 56.756 56.400 -0.068 0.000 0.869 379 E CB -0.546 29.093 29.700 -0.102 0.000 0.836 379 E HN 0.099 nan 8.360 nan 0.000 0.520 380 V N 0.148 120.020 119.914 -0.070 0.000 2.575 380 V HA -0.062 4.040 4.120 -0.030 0.000 0.242 380 V C 1.945 177.988 176.094 -0.084 0.000 1.045 380 V CA 1.126 63.383 62.300 -0.073 0.000 1.065 380 V CB -0.227 31.552 31.823 -0.072 0.000 0.717 380 V HN 0.152 nan 8.190 nan 0.000 0.467 381 R N -0.055 120.395 120.500 -0.084 0.000 2.062 381 R HA -0.059 4.263 4.340 -0.030 0.000 0.229 381 R C 2.240 178.480 176.300 -0.100 0.000 1.128 381 R CA 1.032 57.069 56.100 -0.105 0.000 0.960 381 R CB -0.638 29.613 30.300 -0.082 0.000 0.855 381 R HN 0.258 nan 8.270 nan 0.000 0.432 382 L N 2.025 123.209 121.223 -0.065 0.000 1.989 382 L HA -0.185 4.137 4.340 -0.030 0.000 0.211 382 L C 1.716 178.555 176.870 -0.051 0.000 1.071 382 L CA 1.730 56.542 54.840 -0.047 0.000 0.749 382 L CB -1.025 41.034 42.059 -0.001 0.000 0.890 382 L HN 0.146 nan 8.230 nan 0.000 0.431 383 N N -0.506 118.173 118.700 -0.036 0.000 2.258 383 N HA -0.195 4.528 4.740 -0.030 0.000 0.187 383 N C 1.728 177.222 175.510 -0.027 0.000 1.012 383 N CA 1.163 54.203 53.050 -0.018 0.000 0.870 383 N CB -0.157 38.322 38.487 -0.013 0.000 0.977 383 N HN 0.288 nan 8.380 nan 0.000 0.434 384 I N 0.800 121.325 120.570 -0.075 0.000 2.333 384 I HA -0.117 4.035 4.170 -0.030 0.000 0.246 384 I C 2.025 178.104 176.117 -0.065 0.000 1.106 384 I CA 0.578 61.821 61.300 -0.095 0.000 1.411 384 I CB -0.680 37.156 38.000 -0.273 0.000 1.082 384 I HN 0.004 nan 8.210 nan 0.000 0.420 385 I N 0.510 121.002 120.570 -0.130 0.000 2.090 385 I HA -0.243 3.909 4.170 -0.030 0.000 0.236 385 I C 2.631 178.659 176.117 -0.149 0.000 1.064 385 I CA 0.982 62.169 61.300 -0.188 0.000 1.324 385 I CB -1.574 36.196 38.000 -0.383 0.000 1.044 385 I HN 0.140 nan 8.210 nan 0.000 0.399 386 S N 0.636 116.261 115.700 -0.125 0.000 2.472 386 S HA -0.276 4.177 4.470 -0.030 0.000 0.292 386 S C 1.106 175.730 174.600 0.041 0.000 1.175 386 S CA 2.152 60.356 58.200 0.006 0.000 1.249 386 S CB -0.549 62.679 63.200 0.047 0.000 1.208 386 S HN 0.449 nan 8.310 nan 0.000 0.442 387 N N 0.199 118.923 118.700 0.041 0.000 2.626 387 N HA 0.414 5.136 4.740 -0.030 0.000 0.249 387 N C -0.394 175.157 175.510 0.069 0.000 1.021 387 N CA -0.050 53.033 53.050 0.056 0.000 0.886 387 N CB 0.891 39.415 38.487 0.062 0.000 1.149 387 N HN 0.163 nan 8.380 nan 0.000 0.517 388 L N 1.373 122.633 121.223 0.061 0.000 2.640 388 L HA 0.244 4.566 4.340 -0.030 0.000 0.230 388 L C 0.663 177.554 176.870 0.036 0.000 1.123 388 L CA 0.063 54.949 54.840 0.077 0.000 0.900 388 L CB 0.361 42.465 42.059 0.076 0.000 1.146 388 L HN 0.292 nan 8.230 nan 0.000 0.484 389 D N -0.487 119.934 120.400 0.035 0.000 2.144 389 D HA -0.179 4.443 4.640 -0.030 0.000 0.199 389 D C 2.128 178.432 176.300 0.008 0.000 0.984 389 D CA 1.099 55.112 54.000 0.022 0.000 0.834 389 D CB -0.167 40.650 40.800 0.029 0.000 0.955 389 D HN 0.278 nan 8.370 nan 0.000 0.465 390 C N -0.037 119.271 119.300 0.013 0.000 2.419 390 C HA -0.046 4.396 4.460 -0.030 0.000 0.281 390 C C 2.595 177.560 174.990 -0.041 0.000 1.336 390 C CA 0.410 59.426 59.018 -0.003 0.000 1.770 390 C CB -0.589 27.160 27.740 0.015 0.000 1.929 390 C HN 0.214 nan 8.230 nan 0.000 0.509 391 V N 0.324 120.205 119.914 -0.056 0.000 2.878 391 V HA -0.021 4.082 4.120 -0.030 0.000 0.250 391 V C 2.005 178.035 176.094 -0.108 0.000 1.075 391 V CA 1.596 63.808 62.300 -0.146 0.000 1.096 391 V CB -0.771 30.918 31.823 -0.223 0.000 0.724 391 V HN 0.466 nan 8.190 nan 0.000 0.467 392 N N 0.717 119.387 118.700 -0.051 0.000 2.396 392 N HA -0.113 4.609 4.740 -0.030 0.000 0.180 392 N C 1.765 177.254 175.510 -0.034 0.000 1.028 392 N CA 0.902 53.931 53.050 -0.035 0.000 0.893 392 N CB -0.024 38.458 38.487 -0.009 0.000 0.967 392 N HN 0.539 nan 8.380 nan 0.000 0.440 393 E N -1.032 119.147 120.200 -0.034 0.000 2.150 393 E HA -0.092 4.240 4.350 -0.030 0.000 0.193 393 E C 1.117 177.692 176.600 -0.042 0.000 0.985 393 E CA 0.970 57.351 56.400 -0.031 0.000 0.814 393 E CB 0.334 30.020 29.700 -0.025 0.000 0.752 393 E HN 0.204 nan 8.360 nan 0.000 0.466 394 V N 0.593 120.469 119.914 -0.064 0.000 2.996 394 V HA 0.112 4.214 4.120 -0.030 0.000 0.235 394 V C 0.739 176.781 176.094 -0.086 0.000 1.205 394 V CA 0.227 62.483 62.300 -0.073 0.000 1.225 394 V CB 0.487 32.261 31.823 -0.083 0.000 0.995 394 V HN 0.132 nan 8.190 nan 0.000 0.484 395 I N -0.379 120.120 120.570 -0.119 0.000 2.418 395 I HA 0.827 4.979 4.170 -0.030 0.000 0.287 395 I C 0.364 176.424 176.117 -0.096 0.000 1.008 395 I CA -0.479 60.748 61.300 -0.120 0.000 1.104 395 I CB 1.346 39.243 38.000 -0.172 0.000 1.264 395 I HN 0.088 nan 8.210 nan 0.000 0.438 396 G N 3.794 112.554 108.800 -0.067 0.000 2.695 396 G HA2 0.311 4.253 3.960 -0.030 0.000 0.213 396 G HA3 0.311 4.253 3.960 -0.030 0.000 0.213 396 G C 0.588 175.461 174.900 -0.045 0.000 1.406 396 G CA -0.441 44.631 45.100 -0.048 0.000 1.049 396 G HN 0.770 nan 8.290 nan 0.000 0.573 397 I N 0.628 121.177 120.570 -0.035 0.000 2.127 397 I HA -0.190 3.962 4.170 -0.030 0.000 0.241 397 I C 2.938 179.023 176.117 -0.054 0.000 1.075 397 I CA 2.234 63.511 61.300 -0.039 0.000 1.334 397 I CB -0.213 37.776 38.000 -0.019 0.000 1.040 397 I HN 0.583 nan 8.210 nan 0.000 0.405 398 R N 0.246 120.721 120.500 -0.041 0.000 2.092 398 R HA -0.120 4.202 4.340 -0.030 0.000 0.231 398 R C 1.535 177.808 176.300 -0.046 0.000 1.119 398 R CA 1.514 57.590 56.100 -0.040 0.000 0.970 398 R CB -0.968 29.317 30.300 -0.026 0.000 0.864 398 R HN 0.505 nan 8.270 nan 0.000 0.440 399 Q N 0.540 120.313 119.800 -0.044 0.000 2.217 399 Q HA 0.228 4.551 4.340 -0.030 0.000 0.226 399 Q C 1.040 177.018 176.000 -0.036 0.000 0.875 399 Q CA -0.185 55.595 55.803 -0.038 0.000 0.974 399 Q CB 0.650 29.365 28.738 -0.038 0.000 1.079 399 Q HN 0.337 nan 8.270 nan 0.000 0.463 400 L N -1.643 119.545 121.223 -0.058 0.000 2.435 400 L HA 0.053 4.375 4.340 -0.030 0.000 0.195 400 L C 2.081 178.869 176.870 -0.137 0.000 1.072 400 L CA 0.438 55.240 54.840 -0.062 0.000 0.833 400 L CB -0.017 42.001 42.059 -0.069 0.000 1.081 400 L HN 0.165 nan 8.230 nan 0.000 0.485 401 S N -0.239 115.329 115.700 -0.220 0.000 2.426 401 S HA -0.349 4.104 4.470 -0.030 0.000 0.220 401 S C 1.812 176.188 174.600 -0.374 0.000 1.040 401 S CA 2.030 59.965 58.200 -0.441 0.000 1.094 401 S CB -0.380 62.592 63.200 -0.380 0.000 1.072 401 S HN 0.450 nan 8.310 nan 0.000 0.415 402 Q N 0.036 119.726 119.800 -0.183 0.000 2.515 402 Q HA -0.095 4.227 4.340 -0.030 0.000 0.215 402 Q C 1.934 177.911 176.000 -0.040 0.000 0.983 402 Q CA 1.276 57.038 55.803 -0.068 0.000 0.905 402 Q CB -0.129 28.593 28.738 -0.026 0.000 0.961 402 Q HN 0.679 nan 8.270 nan 0.000 0.503 403 S N 0.113 115.777 115.700 -0.060 0.000 2.336 403 S HA -0.075 4.377 4.470 -0.030 0.000 0.216 403 S C 1.587 176.168 174.600 -0.031 0.000 1.032 403 S CA 0.652 58.836 58.200 -0.026 0.000 0.973 403 S CB -0.168 63.038 63.200 0.010 0.000 0.888 403 S HN 0.292 nan 8.310 nan 0.000 0.455 404 L N 1.641 122.835 121.223 -0.048 0.000 2.610 404 L HA 0.189 4.511 4.340 -0.030 0.000 0.232 404 L C 1.945 178.847 176.870 0.053 0.000 1.149 404 L CA 0.174 55.000 54.840 -0.022 0.000 0.872 404 L CB -0.809 41.231 42.059 -0.032 0.000 0.992 404 L HN 0.181 nan 8.230 nan 0.000 0.447 405 L N 1.393 122.672 121.223 0.094 0.000 1.932 405 L HA -0.124 4.198 4.340 -0.030 0.000 0.217 405 L C -0.519 176.395 176.870 0.073 0.000 1.077 405 L CA 2.147 57.090 54.840 0.172 0.000 0.765 405 L CB -1.248 40.934 42.059 0.205 0.000 0.888 405 L HN 0.151 nan 8.230 nan 0.000 0.433 406 P HA -0.025 nan 4.420 nan 0.000 0.234 406 P C 0.887 178.194 177.300 0.010 0.000 1.167 406 P CA 1.283 64.392 63.100 0.016 0.000 0.763 406 P CB -0.144 31.559 31.700 0.006 0.000 0.835 407 A N -0.396 122.429 122.820 0.008 0.000 1.855 407 A HA -0.064 4.238 4.320 -0.030 0.000 0.213 407 A C 2.122 179.720 177.584 0.024 0.000 1.195 407 A CA 0.969 53.005 52.037 -0.003 0.000 0.610 407 A CB -1.303 17.676 19.000 -0.035 0.000 0.837 407 A HN 0.075 nan 8.150 nan 0.000 0.444 408 I N -0.611 119.988 120.570 0.048 0.000 2.315 408 I HA -0.172 3.981 4.170 -0.030 0.000 0.248 408 I C 2.317 178.493 176.117 0.098 0.000 1.117 408 I CA 0.876 62.230 61.300 0.089 0.000 1.404 408 I CB -0.088 37.983 38.000 0.118 0.000 1.071 408 I HN 0.201 nan 8.210 nan 0.000 0.419 409 V N 0.782 120.729 119.914 0.054 0.000 2.688 409 V HA -0.250 3.852 4.120 -0.030 0.000 0.256 409 V C 2.167 178.291 176.094 0.050 0.000 1.084 409 V CA 1.956 64.273 62.300 0.028 0.000 1.103 409 V CB -0.392 31.425 31.823 -0.010 0.000 0.688 409 V HN 0.438 nan 8.190 nan 0.000 0.480 410 E N -0.889 119.343 120.200 0.054 0.000 2.307 410 E HA 0.044 4.377 4.350 -0.030 0.000 0.195 410 E C 2.105 178.752 176.600 0.078 0.000 0.975 410 E CA 0.434 56.866 56.400 0.053 0.000 0.878 410 E CB 0.128 29.845 29.700 0.028 0.000 0.845 410 E HN 0.521 nan 8.360 nan 0.000 0.488 411 L N 0.725 122.003 121.223 0.091 0.000 2.109 411 L HA -0.023 4.299 4.340 -0.030 0.000 0.207 411 L C 2.500 179.471 176.870 0.168 0.000 1.086 411 L CA 0.838 55.740 54.840 0.105 0.000 0.760 411 L CB -0.334 41.780 42.059 0.092 0.000 0.910 411 L HN 0.061 nan 8.230 nan 0.000 0.437 412 A N 0.715 123.690 122.820 0.258 0.000 2.121 412 A HA -0.178 4.125 4.320 -0.030 0.000 0.218 412 A C 1.867 179.694 177.584 0.406 0.000 1.154 412 A CA 1.567 53.887 52.037 0.472 0.000 0.679 412 A CB -0.434 18.961 19.000 0.659 0.000 0.795 412 A HN 0.651 nan 8.150 nan 0.000 0.458 413 E N -0.431 119.904 120.200 0.224 0.000 2.538 413 E HA 0.170 4.502 4.350 -0.030 0.000 0.207 413 E C -0.177 176.504 176.600 0.135 0.000 1.002 413 E CA -0.316 56.186 56.400 0.171 0.000 0.952 413 E CB -0.173 29.588 29.700 0.102 0.000 1.031 413 E HN 0.313 nan 8.360 nan 0.000 0.476 414 D N 0.753 121.230 120.400 0.129 0.000 2.423 414 D HA 0.065 4.687 4.640 -0.030 0.000 0.238 414 D C 1.171 177.535 176.300 0.106 0.000 1.142 414 D CA 0.707 54.762 54.000 0.093 0.000 0.884 414 D CB 1.327 42.168 40.800 0.069 0.000 1.199 414 D HN 0.165 nan 8.370 nan 0.000 0.438 415 A N 4.161 127.030 122.820 0.082 0.000 2.019 415 A HA -0.113 4.189 4.320 -0.030 0.000 0.219 415 A C 1.179 178.832 177.584 0.116 0.000 1.164 415 A CA 1.101 53.195 52.037 0.094 0.000 0.644 415 A CB -0.218 18.820 19.000 0.062 0.000 0.805 415 A HN 0.386 nan 8.150 nan 0.000 0.449 416 K N 0.422 120.866 120.400 0.074 0.000 2.205 416 K HA 0.115 4.417 4.320 -0.030 0.000 0.279 416 K C 1.012 177.657 176.600 0.074 0.000 1.027 416 K CA -0.446 55.862 56.287 0.034 0.000 0.932 416 K CB 0.634 33.099 32.500 -0.059 0.000 1.032 416 K HN 0.701 nan 8.250 nan 0.000 0.466 417 W N 5.030 126.339 121.300 0.015 0.000 2.443 417 W HA -0.064 4.578 4.660 -0.030 0.000 0.296 417 W C 1.020 177.509 176.519 -0.051 0.000 1.202 417 W CA 0.265 57.594 57.345 -0.026 0.000 1.312 417 W CB -0.347 29.075 29.460 -0.063 0.000 1.120 417 W HN 0.504 nan 8.180 nan 0.000 0.536 418 R N 1.026 121.113 120.500 -0.688 0.000 2.200 418 R HA -0.100 4.222 4.340 -0.030 0.000 0.234 418 R C 2.250 178.413 176.300 -0.228 0.000 1.127 418 R CA 1.535 57.266 56.100 -0.615 0.000 0.989 418 R CB -0.349 29.460 30.300 -0.819 0.000 0.869 418 R HN 0.128 nan 8.270 nan 0.000 0.459 419 V N 0.447 120.272 119.914 -0.148 0.000 2.407 419 V HA -0.174 3.928 4.120 -0.030 0.000 0.245 419 V C 2.156 178.243 176.094 -0.012 0.000 1.041 419 V CA 1.543 63.811 62.300 -0.053 0.000 1.040 419 V CB -0.339 31.468 31.823 -0.027 0.000 0.671 419 V HN 0.257 nan 8.190 nan 0.000 0.455 420 R N -0.505 119.996 120.500 0.001 0.000 2.115 420 R HA -0.099 4.224 4.340 -0.030 0.000 0.230 420 R C 2.168 178.350 176.300 -0.196 0.000 1.111 420 R CA 1.073 57.144 56.100 -0.047 0.000 0.976 420 R CB -0.410 29.892 30.300 0.002 0.000 0.870 420 R HN 0.356 nan 8.270 nan 0.000 0.445 421 L N 0.699 121.863 121.223 -0.098 0.000 2.056 421 L HA -0.059 4.263 4.340 -0.030 0.000 0.207 421 L C 2.172 178.949 176.870 -0.155 0.000 1.078 421 L CA 1.931 56.702 54.840 -0.116 0.000 0.749 421 L CB -0.718 41.366 42.059 0.042 0.000 0.901 421 L HN 0.097 nan 8.230 nan 0.000 0.433 422 A N -0.480 122.276 122.820 -0.107 0.000 1.933 422 A HA -0.153 4.150 4.320 -0.030 0.000 0.218 422 A C 2.160 179.738 177.584 -0.011 0.000 1.175 422 A CA 1.730 53.697 52.037 -0.117 0.000 0.628 422 A CB -0.733 18.270 19.000 0.005 0.000 0.814 422 A HN 0.424 nan 8.150 nan 0.000 0.444 423 I N 0.225 120.830 120.570 0.059 0.000 2.286 423 I HA -0.201 3.951 4.170 -0.030 0.000 0.248 423 I C 2.344 178.489 176.117 0.046 0.000 1.115 423 I CA 1.093 62.488 61.300 0.158 0.000 1.392 423 I CB -0.998 37.098 38.000 0.159 0.000 1.065 423 I HN 0.329 nan 8.210 nan 0.000 0.418 424 I N 0.303 120.693 120.570 -0.299 0.000 2.315 424 I HA -0.255 3.897 4.170 -0.030 0.000 0.248 424 I C 2.243 178.303 176.117 -0.096 0.000 1.117 424 I CA 1.123 62.197 61.300 -0.376 0.000 1.404 424 I CB -0.360 37.242 38.000 -0.663 0.000 1.071 424 I HN 0.254 nan 8.210 nan 0.000 0.419 425 E N 0.064 120.178 120.200 -0.144 0.000 2.150 425 E HA -0.194 4.139 4.350 -0.030 0.000 0.193 425 E C 1.910 178.441 176.600 -0.115 0.000 0.985 425 E CA 1.143 57.445 56.400 -0.163 0.000 0.814 425 E CB -0.043 29.487 29.700 -0.284 0.000 0.752 425 E HN 0.487 nan 8.360 nan 0.000 0.466 426 Y N -0.265 120.062 120.300 0.045 0.000 2.457 426 Y HA -0.064 4.469 4.550 -0.030 0.000 0.292 426 Y C 2.065 178.056 175.900 0.151 0.000 1.125 426 Y CA 0.426 58.577 58.100 0.086 0.000 1.254 426 Y CB -0.096 38.414 38.460 0.083 0.000 1.012 426 Y HN 0.054 nan 8.280 nan 0.000 0.555 427 M N 1.114 120.913 119.600 0.332 0.000 2.073 427 M HA -0.151 4.311 4.480 -0.030 0.000 0.258 427 M C -0.737 175.790 176.300 0.378 0.000 1.070 427 M CA 1.922 57.472 55.300 0.417 0.000 1.103 427 M CB -1.555 31.338 32.600 0.488 0.000 1.321 427 M HN -0.019 nan 8.290 nan 0.000 0.405 428 P HA -0.059 nan 4.420 nan 0.000 0.225 428 P C 1.622 179.002 177.300 0.133 0.000 1.156 428 P CA 1.248 64.428 63.100 0.133 0.000 0.787 428 P CB -0.091 31.642 31.700 0.054 0.000 0.802 429 L N -0.908 120.417 121.223 0.170 0.000 2.127 429 L HA 0.028 4.351 4.340 -0.030 0.000 0.203 429 L C 1.968 178.953 176.870 0.191 0.000 1.080 429 L CA 0.727 55.663 54.840 0.160 0.000 0.768 429 L CB -0.733 41.435 42.059 0.182 0.000 0.924 429 L HN -0.172 nan 8.230 nan 0.000 0.444 430 L N 0.262 121.636 121.223 0.253 0.000 2.912 430 L HA 0.099 4.421 4.340 -0.030 0.000 0.246 430 L C 0.916 177.994 176.870 0.345 0.000 1.371 430 L CA 0.056 55.045 54.840 0.247 0.000 1.196 430 L CB -0.458 41.741 42.059 0.233 0.000 1.596 430 L HN 0.239 nan 8.230 nan 0.000 0.429 431 A N -0.988 122.013 122.820 0.302 0.000 1.570 431 A HA 0.254 4.556 4.320 -0.030 0.000 0.212 431 A C 1.850 179.552 177.584 0.197 0.000 1.855 431 A CA 0.577 52.836 52.037 0.371 0.000 1.415 431 A CB -0.464 18.797 19.000 0.435 0.000 1.376 431 A HN 0.357 nan 8.150 nan 0.000 0.370 432 G N -0.240 108.618 108.800 0.097 0.000 2.464 432 G HA2 0.061 4.003 3.960 -0.030 0.000 0.217 432 G HA3 0.061 4.003 3.960 -0.030 0.000 0.217 432 G C 1.171 176.098 174.900 0.046 0.000 1.138 432 G CA 0.996 46.112 45.100 0.027 0.000 0.793 432 G HN 0.491 nan 8.290 nan 0.000 0.539 433 Q N -0.781 119.061 119.800 0.071 0.000 2.247 433 Q HA 0.322 4.644 4.340 -0.030 0.000 0.204 433 Q C 1.442 177.478 176.000 0.060 0.000 0.872 433 Q CA -0.226 55.612 55.803 0.059 0.000 0.951 433 Q CB 0.615 29.390 28.738 0.062 0.000 1.099 433 Q HN 0.411 nan 8.270 nan 0.000 0.501 434 L N -0.820 120.455 121.223 0.086 0.000 2.783 434 L HA 0.527 4.849 4.340 -0.030 0.000 0.174 434 L C 0.161 177.077 176.870 0.077 0.000 1.235 434 L CA 1.822 56.704 54.840 0.070 0.000 0.862 434 L CB 0.423 42.540 42.059 0.097 0.000 1.249 434 L HN 0.077 nan 8.230 nan 0.000 0.518 435 G N -0.120 108.764 108.800 0.140 0.000 3.187 435 G HA2 0.247 4.189 3.960 -0.030 0.000 0.682 435 G HA3 0.247 4.189 3.960 -0.030 0.000 0.682 435 G C -1.590 173.438 174.900 0.212 0.000 1.266 435 G CA -0.337 44.851 45.100 0.147 0.000 0.902 435 G HN 0.466 nan 8.290 nan 0.000 0.589 436 V N 2.150 122.217 119.914 0.255 0.000 2.524 436 V HA 0.687 4.789 4.120 -0.030 0.000 0.297 436 V C 0.257 176.401 176.094 0.083 0.000 1.035 436 V CA -0.151 62.308 62.300 0.265 0.000 0.867 436 V CB 1.807 33.887 31.823 0.428 0.000 1.004 436 V HN 0.983 nan 8.190 nan 0.000 0.426 437 E N 3.318 123.596 120.200 0.129 0.000 2.714 437 E HA 0.159 4.491 4.350 -0.030 0.000 0.219 437 E C 1.036 177.744 176.600 0.179 0.000 0.979 437 E CA -0.265 56.194 56.400 0.098 0.000 1.092 437 E CB 0.132 29.887 29.700 0.091 0.000 1.049 437 E HN 0.554 nan 8.360 nan 0.000 0.487 438 F N 0.552 120.542 119.950 0.067 0.000 2.250 438 F HA 0.069 4.578 4.527 -0.030 0.000 0.301 438 F C 0.296 176.073 175.800 -0.037 0.000 1.077 438 F CA 0.688 58.692 58.000 0.006 0.000 1.348 438 F CB -0.161 38.825 39.000 -0.023 0.000 1.040 438 F HN -0.058 nan 8.300 nan 0.000 0.509 439 F N 2.921 122.742 119.950 -0.215 0.000 2.685 439 F HA 0.093 4.602 4.527 -0.030 0.000 0.349 439 F C 1.177 176.951 175.800 -0.043 0.000 1.294 439 F CA -0.450 57.439 58.000 -0.185 0.000 1.201 439 F CB -0.920 38.073 39.000 -0.011 0.000 1.615 439 F HN 0.160 nan 8.300 nan 0.000 0.674 440 D N 1.087 121.452 120.400 -0.057 0.000 2.428 440 D HA -0.011 4.611 4.640 -0.030 0.000 0.272 440 D C 1.259 177.518 176.300 -0.068 0.000 1.195 440 D CA 0.274 54.256 54.000 -0.031 0.000 1.105 440 D CB -0.258 40.514 40.800 -0.046 0.000 1.109 440 D HN 0.393 nan 8.370 nan 0.000 0.433 441 E N -1.065 119.081 120.200 -0.090 0.000 2.415 441 E HA 0.085 4.417 4.350 -0.030 0.000 0.197 441 E C 1.701 178.230 176.600 -0.117 0.000 1.007 441 E CA 0.376 56.715 56.400 -0.102 0.000 0.890 441 E CB 0.186 29.834 29.700 -0.088 0.000 0.891 441 E HN 0.127 nan 8.360 nan 0.000 0.496 442 K N 0.525 120.843 120.400 -0.137 0.000 2.067 442 K HA 0.101 4.403 4.320 -0.030 0.000 0.203 442 K C 1.666 178.142 176.600 -0.207 0.000 1.048 442 K CA 0.720 56.914 56.287 -0.154 0.000 0.954 442 K CB -0.214 32.202 32.500 -0.141 0.000 0.737 442 K HN 0.235 nan 8.250 nan 0.000 0.444 443 L N 0.822 121.872 121.223 -0.289 0.000 2.446 443 L HA 0.161 4.483 4.340 -0.030 0.000 0.219 443 L C 0.936 177.701 176.870 -0.176 0.000 1.116 443 L CA 1.312 55.942 54.840 -0.351 0.000 0.844 443 L CB -0.488 41.129 42.059 -0.737 0.000 0.970 443 L HN 0.147 nan 8.230 nan 0.000 0.457 444 N N -0.658 117.992 118.700 -0.083 0.000 2.171 444 N HA -0.123 4.600 4.740 -0.030 0.000 0.184 444 N C 1.797 177.239 175.510 -0.113 0.000 1.021 444 N CA 1.409 54.453 53.050 -0.010 0.000 0.854 444 N CB -0.186 38.280 38.487 -0.036 0.000 0.994 444 N HN 0.453 nan 8.380 nan 0.000 0.426 445 S N -0.573 115.035 115.700 -0.153 0.000 2.607 445 S HA 0.070 4.522 4.470 -0.030 0.000 0.224 445 S C 1.586 176.041 174.600 -0.242 0.000 0.969 445 S CA 0.124 58.221 58.200 -0.172 0.000 0.927 445 S CB -0.119 62.994 63.200 -0.145 0.000 0.772 445 S HN 0.117 nan 8.310 nan 0.000 0.533 446 L N 0.950 121.981 121.223 -0.320 0.000 2.130 446 L HA 0.248 4.570 4.340 -0.030 0.000 0.200 446 L C 2.674 179.010 176.870 -0.890 0.000 1.075 446 L CA 1.124 55.649 54.840 -0.525 0.000 0.768 446 L CB -0.942 40.820 42.059 -0.495 0.000 0.933 446 L HN 0.536 nan 8.230 nan 0.000 0.451 447 C N -0.349 118.507 119.300 -0.740 0.000 2.419 447 C HA -0.173 4.269 4.460 -0.030 0.000 0.281 447 C C 2.765 177.635 174.990 -0.200 0.000 1.336 447 C CA 0.924 59.586 59.018 -0.594 0.000 1.770 447 C CB -0.676 27.032 27.740 -0.053 0.000 1.929 447 C HN 0.545 nan 8.230 nan 0.000 0.509 448 M N 0.358 119.844 119.600 -0.190 0.000 2.200 448 M HA -0.020 4.442 4.480 -0.030 0.000 0.265 448 M C 2.341 178.574 176.300 -0.111 0.000 1.066 448 M CA 1.598 56.839 55.300 -0.098 0.000 1.127 448 M CB -0.403 32.136 32.600 -0.102 0.000 1.379 448 M HN 0.460 nan 8.290 nan 0.000 0.420 449 A N -0.819 121.874 122.820 -0.213 0.000 2.209 449 A HA -0.120 4.182 4.320 -0.030 0.000 0.212 449 A C 1.454 179.025 177.584 -0.021 0.000 1.158 449 A CA 0.616 52.553 52.037 -0.167 0.000 0.742 449 A CB -0.733 18.139 19.000 -0.212 0.000 0.790 449 A HN 0.619 nan 8.150 nan 0.000 0.472 450 W N -0.588 120.698 121.300 -0.024 0.000 2.863 450 W HA 0.201 4.843 4.660 -0.029 0.000 0.258 450 W C 1.086 177.566 176.519 -0.064 0.000 1.298 450 W CA 0.127 57.457 57.345 -0.026 0.000 1.451 450 W CB -0.596 28.861 29.460 -0.006 0.000 1.107 450 W HN 0.254 nan 8.180 nan 0.000 0.641 451 L N 0.169 121.480 121.223 0.146 0.000 2.627 451 L HA 0.022 4.344 4.340 -0.030 0.000 0.233 451 L C 1.575 178.434 176.870 -0.018 0.000 1.144 451 L CA 0.297 55.157 54.840 0.032 0.000 0.892 451 L CB -0.349 41.730 42.059 0.034 0.000 1.039 451 L HN -0.250 nan 8.230 nan 0.000 0.442 452 V N -2.217 117.700 119.914 0.004 0.000 3.398 452 V HA 0.154 4.256 4.120 -0.030 0.000 0.298 452 V C 0.567 176.675 176.094 0.023 0.000 1.496 452 V CA -0.254 62.038 62.300 -0.013 0.000 1.044 452 V CB 0.313 32.117 31.823 -0.032 0.000 0.880 452 V HN 0.245 nan 8.190 nan 0.000 0.443 453 D N 0.984 121.413 120.400 0.048 0.000 2.525 453 D HA -0.102 4.520 4.640 -0.030 0.000 0.235 453 D C 1.565 177.891 176.300 0.043 0.000 1.137 453 D CA 0.669 54.723 54.000 0.090 0.000 0.868 453 D CB 0.800 41.631 40.800 0.051 0.000 1.180 453 D HN 0.652 nan 8.370 nan 0.000 0.465 454 H N 2.110 121.180 119.070 -0.001 0.000 2.456 454 H HA -0.069 4.469 4.556 -0.030 0.000 0.296 454 H C 0.314 175.621 175.328 -0.035 0.000 1.079 454 H CA 0.344 56.388 56.048 -0.007 0.000 1.322 454 H CB -0.501 29.267 29.762 0.011 0.000 1.388 454 H HN 0.011 nan 8.280 nan 0.000 0.538 455 V N 2.403 121.947 119.914 -0.617 0.000 2.432 455 V HA -0.056 4.047 4.120 -0.030 0.000 0.271 455 V C 1.200 177.112 176.094 -0.303 0.000 1.046 455 V CA -0.346 61.638 62.300 -0.527 0.000 0.945 455 V CB 0.605 32.021 31.823 -0.679 0.000 0.992 455 V HN 0.223 nan 8.190 nan 0.000 0.471 456 Y N 5.083 125.195 120.300 -0.313 0.000 2.181 456 Y HA -0.188 4.344 4.550 -0.030 0.000 0.288 456 Y C 2.313 178.071 175.900 -0.238 0.000 1.146 456 Y CA 2.046 60.007 58.100 -0.232 0.000 1.164 456 Y CB -0.087 38.257 38.460 -0.193 0.000 0.982 456 Y HN 0.661 nan 8.280 nan 0.000 0.515 457 A N -0.089 122.634 122.820 -0.162 0.000 2.084 457 A HA -0.201 4.101 4.320 -0.030 0.000 0.221 457 A C 2.126 179.592 177.584 -0.196 0.000 1.161 457 A CA 2.061 53.985 52.037 -0.188 0.000 0.653 457 A CB -1.033 17.741 19.000 -0.377 0.000 0.802 457 A HN 0.625 nan 8.150 nan 0.000 0.457 458 I N -2.129 118.292 120.570 -0.249 0.000 2.731 458 I HA -0.075 4.077 4.170 -0.030 0.000 0.260 458 I C 2.634 178.604 176.117 -0.245 0.000 1.138 458 I CA 0.390 61.558 61.300 -0.220 0.000 1.461 458 I CB -0.226 37.661 38.000 -0.187 0.000 1.128 458 I HN 0.217 nan 8.210 nan 0.000 0.438 459 R N 0.802 121.099 120.500 -0.339 0.000 2.083 459 R HA -0.234 4.089 4.340 -0.030 0.000 0.237 459 R C 2.196 178.258 176.300 -0.397 0.000 1.137 459 R CA 1.905 57.773 56.100 -0.388 0.000 0.951 459 R CB -0.261 29.672 30.300 -0.612 0.000 0.851 459 R HN 0.356 nan 8.270 nan 0.000 0.434 460 E N 0.299 120.189 120.200 -0.516 0.000 2.072 460 E HA -0.153 4.179 4.350 -0.030 0.000 0.191 460 E C 1.809 178.328 176.600 -0.136 0.000 0.985 460 E CA 1.133 57.360 56.400 -0.288 0.000 0.801 460 E CB -0.020 29.593 29.700 -0.145 0.000 0.750 460 E HN 0.369 nan 8.360 nan 0.000 0.452 461 A N 0.711 123.450 122.820 -0.136 0.000 2.015 461 A HA 0.003 4.305 4.320 -0.030 0.000 0.219 461 A C 2.256 179.795 177.584 -0.075 0.000 1.163 461 A CA 1.448 53.426 52.037 -0.099 0.000 0.646 461 A CB -0.473 18.453 19.000 -0.123 0.000 0.806 461 A HN 0.395 nan 8.150 nan 0.000 0.448 462 A N -1.451 121.329 122.820 -0.067 0.000 2.072 462 A HA 0.087 4.389 4.320 -0.030 0.000 0.216 462 A C 2.163 179.802 177.584 0.091 0.000 1.156 462 A CA 1.751 53.834 52.037 0.076 0.000 0.701 462 A CB -0.701 18.408 19.000 0.180 0.000 0.816 462 A HN 0.375 nan 8.150 nan 0.000 0.458 463 T N -0.033 114.529 114.554 0.013 0.000 2.770 463 T HA -0.075 4.257 4.350 -0.030 0.000 0.263 463 T C 2.219 176.947 174.700 0.047 0.000 1.039 463 T CA 1.720 63.837 62.100 0.028 0.000 1.142 463 T CB -0.214 68.647 68.868 -0.012 0.000 0.868 463 T HN 0.475 nan 8.240 nan 0.000 0.435 464 S N 1.586 117.301 115.700 0.025 0.000 2.419 464 S HA -0.085 4.367 4.470 -0.030 0.000 0.233 464 S C 1.969 176.596 174.600 0.045 0.000 1.016 464 S CA 0.630 58.848 58.200 0.029 0.000 0.974 464 S CB -0.408 62.797 63.200 0.009 0.000 0.786 464 S HN 0.514 nan 8.310 nan 0.000 0.492 465 N N 0.918 119.658 118.700 0.068 0.000 2.216 465 N HA -0.064 4.659 4.740 -0.030 0.000 0.183 465 N C 1.767 177.354 175.510 0.129 0.000 1.017 465 N CA 0.753 53.867 53.050 0.107 0.000 0.861 465 N CB -0.123 38.465 38.487 0.168 0.000 0.986 465 N HN 0.212 nan 8.380 nan 0.000 0.428 466 L N 2.243 123.551 121.223 0.142 0.000 2.017 466 L HA -0.083 4.239 4.340 -0.030 0.000 0.208 466 L C 2.318 179.262 176.870 0.123 0.000 1.073 466 L CA 1.529 56.461 54.840 0.153 0.000 0.745 466 L CB -0.648 41.496 42.059 0.143 0.000 0.894 466 L HN 0.041 nan 8.230 nan 0.000 0.432 467 K N -0.442 120.011 120.400 0.089 0.000 1.988 467 K HA -0.280 4.022 4.320 -0.030 0.000 0.221 467 K C 2.108 178.729 176.600 0.035 0.000 1.053 467 K CA 2.196 58.521 56.287 0.063 0.000 0.959 467 K CB -0.299 32.228 32.500 0.046 0.000 0.728 467 K HN 0.202 nan 8.250 nan 0.000 0.447 468 K N 0.388 120.797 120.400 0.015 0.000 2.173 468 K HA -0.199 4.103 4.320 -0.030 0.000 0.207 468 K C 2.040 178.590 176.600 -0.084 0.000 1.046 468 K CA 1.118 57.388 56.287 -0.029 0.000 0.929 468 K CB -0.114 32.377 32.500 -0.015 0.000 0.720 468 K HN 0.021 nan 8.250 nan 0.000 0.453 469 L N -0.122 121.076 121.223 -0.041 0.000 2.095 469 L HA -0.093 4.229 4.340 -0.030 0.000 0.204 469 L C 1.931 178.767 176.870 -0.057 0.000 1.080 469 L CA 1.337 56.115 54.840 -0.104 0.000 0.759 469 L CB -0.222 41.819 42.059 -0.028 0.000 0.914 469 L HN -0.090 nan 8.230 nan 0.000 0.439 470 V N -0.930 119.052 119.914 0.115 0.000 2.809 470 V HA -0.187 3.915 4.120 -0.030 0.000 0.256 470 V C 2.268 178.400 176.094 0.062 0.000 1.080 470 V CA 1.057 63.480 62.300 0.205 0.000 1.102 470 V CB -0.580 31.387 31.823 0.239 0.000 0.705 470 V HN 0.437 nan 8.190 nan 0.000 0.475 471 E N 0.393 120.578 120.200 -0.025 0.000 2.110 471 E HA -0.254 4.079 4.350 -0.030 0.000 0.193 471 E C 2.220 178.717 176.600 -0.171 0.000 0.988 471 E CA 1.367 57.725 56.400 -0.069 0.000 0.804 471 E CB -0.113 29.544 29.700 -0.070 0.000 0.745 471 E HN 0.548 nan 8.360 nan 0.000 0.458 472 K N -0.242 119.945 120.400 -0.354 0.000 2.103 472 K HA -0.065 4.237 4.320 -0.030 0.000 0.204 472 K C 0.876 177.028 176.600 -0.747 0.000 1.052 472 K CA 1.035 56.921 56.287 -0.668 0.000 0.945 472 K CB 0.167 32.023 32.500 -1.074 0.000 0.722 472 K HN 0.043 nan 8.250 nan 0.000 0.443 473 F N -0.159 119.676 119.950 -0.191 0.000 2.706 473 F HA 0.367 4.876 4.527 -0.030 0.000 0.308 473 F C 1.016 176.848 175.800 0.053 0.000 1.095 473 F CA 0.144 58.047 58.000 -0.163 0.000 1.244 473 F CB 0.683 39.368 39.000 -0.524 0.000 1.063 473 F HN 0.189 nan 8.300 nan 0.000 0.582 474 G N 1.654 110.570 108.800 0.192 0.000 2.741 474 G HA2 -0.328 3.614 3.960 -0.030 0.000 0.222 474 G HA3 -0.328 3.614 3.960 -0.030 0.000 0.222 474 G C 0.858 175.901 174.900 0.239 0.000 1.364 474 G CA 0.028 45.234 45.100 0.177 0.000 0.866 474 G HN 0.446 nan 8.290 nan 0.000 0.555 475 K N -0.213 120.293 120.400 0.177 0.000 2.366 475 K HA 0.145 4.447 4.320 -0.030 0.000 0.198 475 K C 1.665 178.380 176.600 0.192 0.000 1.044 475 K CA 1.784 58.172 56.287 0.168 0.000 0.973 475 K CB 0.095 32.668 32.500 0.121 0.000 0.767 475 K HN 0.452 nan 8.250 nan 0.000 0.475 476 E N 0.750 121.073 120.200 0.206 0.000 2.076 476 E HA -0.160 4.172 4.350 -0.030 0.000 0.190 476 E C 1.636 178.350 176.600 0.190 0.000 0.979 476 E CA 0.956 57.471 56.400 0.192 0.000 0.807 476 E CB -0.262 29.540 29.700 0.170 0.000 0.761 476 E HN 0.580 nan 8.360 nan 0.000 0.454 477 W N 2.060 123.390 121.300 0.050 0.000 2.518 477 W HA 0.081 4.723 4.660 -0.030 0.000 0.273 477 W C 2.236 178.740 176.519 -0.025 0.000 1.247 477 W CA 1.566 58.902 57.345 -0.015 0.000 1.288 477 W CB -0.014 29.425 29.460 -0.034 0.000 1.107 477 W HN 0.039 nan 8.180 nan 0.000 0.586 478 A N 0.184 123.047 122.820 0.072 0.000 1.845 478 A HA -0.319 3.983 4.320 -0.030 0.000 0.215 478 A C 1.852 179.315 177.584 -0.202 0.000 1.195 478 A CA 2.194 54.152 52.037 -0.131 0.000 0.616 478 A CB -1.594 17.472 19.000 0.109 0.000 0.832 478 A HN 0.613 nan 8.150 nan 0.000 0.443 479 H N -0.275 118.709 119.070 -0.143 0.000 2.495 479 H HA 0.252 4.790 4.556 -0.030 0.000 0.287 479 H C 1.792 176.989 175.328 -0.219 0.000 1.033 479 H CA 1.401 57.343 56.048 -0.176 0.000 1.307 479 H CB -0.208 29.490 29.762 -0.107 0.000 1.401 479 H HN 0.350 nan 8.280 nan 0.000 0.555 480 A N -0.859 121.675 122.820 -0.476 0.000 2.021 480 A HA 0.034 4.337 4.320 -0.030 0.000 0.216 480 A C 1.990 179.295 177.584 -0.466 0.000 1.163 480 A CA 1.479 53.219 52.037 -0.494 0.000 0.676 480 A CB -0.107 18.724 19.000 -0.282 0.000 0.818 480 A HN 0.561 nan 8.150 nan 0.000 0.453 481 T N -1.506 112.685 114.554 -0.605 0.000 3.125 481 T HA 0.251 4.583 4.350 -0.030 0.000 0.252 481 T C 1.713 176.086 174.700 -0.545 0.000 0.981 481 T CA 0.673 62.388 62.100 -0.640 0.000 1.069 481 T CB -0.316 67.964 68.868 -0.980 0.000 1.091 481 T HN 0.250 nan 8.240 nan 0.000 0.460 482 I N 1.376 121.574 120.570 -0.620 0.000 2.185 482 I HA 0.077 4.229 4.170 -0.030 0.000 0.235 482 I C 2.240 178.216 176.117 -0.234 0.000 1.069 482 I CA 0.980 62.047 61.300 -0.388 0.000 1.354 482 I CB -0.527 37.267 38.000 -0.344 0.000 1.093 482 I HN 0.026 nan 8.210 nan 0.000 0.411 483 I N 1.163 121.619 120.570 -0.191 0.000 2.236 483 I HA -0.234 3.918 4.170 -0.030 0.000 0.249 483 I C -0.464 175.585 176.117 -0.113 0.000 1.102 483 I CA 1.761 62.995 61.300 -0.109 0.000 1.365 483 I CB -1.730 36.237 38.000 -0.055 0.000 1.051 483 I HN 0.201 nan 8.210 nan 0.000 0.420 484 P HA -0.192 nan 4.420 nan 0.000 0.215 484 P C 1.221 178.456 177.300 -0.108 0.000 1.157 484 P CA 1.612 64.630 63.100 -0.138 0.000 0.874 484 P CB -0.084 31.505 31.700 -0.185 0.000 0.790 485 K N -0.772 119.554 120.400 -0.124 0.000 2.432 485 K HA 0.022 4.324 4.320 -0.030 0.000 0.196 485 K C 1.531 178.086 176.600 -0.074 0.000 1.038 485 K CA 0.730 56.956 56.287 -0.101 0.000 0.986 485 K CB -0.269 32.158 32.500 -0.122 0.000 0.782 485 K HN 0.090 nan 8.250 nan 0.000 0.485 486 V N 1.112 120.986 119.914 -0.067 0.000 3.129 486 V HA -0.064 4.038 4.120 -0.030 0.000 0.259 486 V C 1.621 177.703 176.094 -0.021 0.000 1.116 486 V CA 0.937 63.214 62.300 -0.038 0.000 1.127 486 V CB -0.472 31.332 31.823 -0.032 0.000 0.742 486 V HN 0.249 nan 8.190 nan 0.000 0.474 487 L N 0.159 121.364 121.223 -0.030 0.000 2.612 487 L HA 0.277 4.599 4.340 -0.030 0.000 0.230 487 L C 2.146 179.007 176.870 -0.014 0.000 1.140 487 L CA 0.683 55.513 54.840 -0.017 0.000 0.896 487 L CB -0.450 41.595 42.059 -0.022 0.000 1.065 487 L HN 0.318 nan 8.230 nan 0.000 0.447 488 A N -0.658 122.152 122.820 -0.017 0.000 2.035 488 A HA 0.180 4.482 4.320 -0.030 0.000 0.208 488 A C 1.694 179.285 177.584 0.012 0.000 1.206 488 A CA -0.039 51.992 52.037 -0.010 0.000 0.773 488 A CB -0.006 18.979 19.000 -0.024 0.000 0.878 488 A HN 0.299 nan 8.150 nan 0.000 0.469 489 M N 1.874 121.487 119.600 0.022 0.000 3.168 489 M HA 0.002 4.464 4.480 -0.030 0.000 0.202 489 M C 1.379 177.716 176.300 0.061 0.000 1.310 489 M CA 0.369 55.710 55.300 0.068 0.000 1.302 489 M CB -0.187 32.463 32.600 0.083 0.000 1.484 489 M HN 0.648 nan 8.290 nan 0.000 0.434 490 S N -1.680 114.041 115.700 0.035 0.000 2.444 490 S HA 0.094 4.546 4.470 -0.030 0.000 0.223 490 S C 1.443 176.053 174.600 0.016 0.000 1.054 490 S CA 0.276 58.490 58.200 0.023 0.000 0.947 490 S CB -0.458 62.751 63.200 0.015 0.000 0.850 490 S HN 0.517 nan 8.310 nan 0.000 0.527 491 G N 2.214 111.022 108.800 0.014 0.000 2.734 491 G HA2 0.382 4.324 3.960 -0.030 0.000 0.287 491 G HA3 0.382 4.324 3.960 -0.030 0.000 0.287 491 G C -1.081 173.819 174.900 0.000 0.000 0.728 491 G CA -0.062 45.041 45.100 0.006 0.000 1.999 491 G HN 0.395 nan 8.290 nan 0.000 0.535 492 D N 2.217 122.603 120.400 -0.024 0.000 2.686 492 D HA 0.383 5.005 4.640 -0.030 0.000 0.249 492 D C -1.856 174.382 176.300 -0.104 0.000 1.260 492 D CA -1.727 52.219 54.000 -0.090 0.000 0.910 492 D CB 2.330 43.068 40.800 -0.104 0.000 1.323 492 D HN 0.129 nan 8.370 nan 0.000 0.561 493 P HA 0.252 nan 4.420 nan 0.000 0.254 493 P C -0.771 176.476 177.300 -0.087 0.000 1.494 493 P CA -0.195 62.861 63.100 -0.073 0.000 0.961 493 P CB 0.085 31.761 31.700 -0.041 0.000 1.493 494 N N 0.798 119.382 118.700 -0.194 0.000 2.599 494 N HA -0.004 4.718 4.740 -0.030 0.000 0.283 494 N C 0.259 175.681 175.510 -0.147 0.000 1.160 494 N CA -0.364 52.587 53.050 -0.164 0.000 0.869 494 N CB 1.103 39.426 38.487 -0.274 0.000 1.448 494 N HN -0.143 nan 8.380 nan 0.000 0.535 495 Y N 3.453 123.705 120.300 -0.080 0.000 2.569 495 Y HA 0.061 4.593 4.550 -0.030 0.000 0.293 495 Y C 1.319 177.248 175.900 0.049 0.000 1.144 495 Y CA 0.495 58.584 58.100 -0.017 0.000 1.321 495 Y CB -0.172 38.293 38.460 0.009 0.000 0.982 495 Y HN 0.523 nan 8.280 nan 0.000 0.558 496 L N 0.097 121.062 121.223 -0.430 0.000 2.141 496 L HA -0.195 4.127 4.340 -0.030 0.000 0.209 496 L C 2.516 179.409 176.870 0.039 0.000 1.094 496 L CA 1.513 56.182 54.840 -0.286 0.000 0.763 496 L CB -0.626 41.335 42.059 -0.164 0.000 0.908 496 L HN 0.441 nan 8.230 nan 0.000 0.437 497 H N -0.739 118.281 119.070 -0.084 0.000 2.421 497 H HA -0.109 4.429 4.556 -0.030 0.000 0.298 497 H C 2.104 177.424 175.328 -0.014 0.000 1.087 497 H CA 0.831 56.857 56.048 -0.036 0.000 1.330 497 H CB 0.167 29.918 29.762 -0.018 0.000 1.388 497 H HN 0.247 nan 8.280 nan 0.000 0.526 498 R N -0.156 120.419 120.500 0.124 0.000 2.223 498 R HA 0.031 4.353 4.340 -0.030 0.000 0.198 498 R C 2.016 178.364 176.300 0.079 0.000 0.984 498 R CA 0.231 56.381 56.100 0.084 0.000 1.018 498 R CB -0.009 30.335 30.300 0.074 0.000 0.945 498 R HN 0.149 nan 8.270 nan 0.000 0.479 499 M N 0.345 119.990 119.600 0.074 0.000 2.296 499 M HA -0.072 4.390 4.480 -0.030 0.000 0.265 499 M C 1.302 177.713 176.300 0.186 0.000 1.064 499 M CA 1.627 56.998 55.300 0.117 0.000 1.109 499 M CB -0.114 32.500 32.600 0.023 0.000 1.396 499 M HN 0.058 nan 8.290 nan 0.000 0.430 500 T N -0.252 114.369 114.554 0.111 0.000 2.588 500 T HA -0.135 4.198 4.350 -0.030 0.000 0.261 500 T C 1.604 176.378 174.700 0.123 0.000 1.069 500 T CA 2.246 64.411 62.100 0.109 0.000 1.172 500 T CB -0.824 68.073 68.868 0.048 0.000 0.863 500 T HN 0.418 nan 8.240 nan 0.000 0.408 501 T N 2.542 117.140 114.554 0.074 0.000 2.755 501 T HA -0.159 4.173 4.350 -0.030 0.000 0.266 501 T C 1.780 176.497 174.700 0.027 0.000 1.041 501 T CA 0.979 63.106 62.100 0.044 0.000 1.147 501 T CB -0.506 68.379 68.868 0.029 0.000 0.847 501 T HN 0.012 nan 8.240 nan 0.000 0.478 502 L N 0.239 121.469 121.223 0.012 0.000 1.973 502 L HA 0.168 4.490 4.340 -0.030 0.000 0.208 502 L C 1.950 178.726 176.870 -0.158 0.000 1.073 502 L CA 1.589 56.351 54.840 -0.131 0.000 0.746 502 L CB -1.034 40.856 42.059 -0.282 0.000 0.891 502 L HN 0.238 nan 8.230 nan 0.000 0.433 503 F N -1.229 118.719 119.950 -0.003 0.000 2.451 503 F HA -0.143 4.366 4.527 -0.030 0.000 0.299 503 F C 2.532 178.339 175.800 0.012 0.000 1.101 503 F CA 0.599 58.602 58.000 0.006 0.000 1.436 503 F CB -1.197 37.808 39.000 0.009 0.000 1.074 503 F HN 0.194 nan 8.300 nan 0.000 0.553 504 C N 0.745 120.141 119.300 0.159 0.000 2.418 504 C HA -0.225 4.217 4.460 -0.030 0.000 0.280 504 C C 2.736 177.768 174.990 0.071 0.000 1.223 504 C CA 0.851 59.929 59.018 0.100 0.000 1.736 504 C CB -1.307 26.473 27.740 0.066 0.000 2.056 504 C HN 0.435 nan 8.230 nan 0.000 0.459 505 I N 1.791 122.384 120.570 0.038 0.000 2.264 505 I HA -0.212 3.940 4.170 -0.030 0.000 0.248 505 I C 2.070 178.199 176.117 0.020 0.000 1.111 505 I CA 1.435 62.747 61.300 0.020 0.000 1.382 505 I CB -0.702 37.294 38.000 -0.006 0.000 1.060 505 I HN 0.421 nan 8.210 nan 0.000 0.418 506 N N 0.289 118.999 118.700 0.017 0.000 2.520 506 N HA -0.076 4.646 4.740 -0.030 0.000 0.185 506 N C 1.396 176.943 175.510 0.062 0.000 1.068 506 N CA 1.116 54.184 53.050 0.029 0.000 0.911 506 N CB 0.328 38.831 38.487 0.028 0.000 0.961 506 N HN 0.299 nan 8.380 nan 0.000 0.446 507 V N -0.726 119.233 119.914 0.074 0.000 3.497 507 V HA 0.156 4.258 4.120 -0.030 0.000 0.272 507 V C 1.867 178.001 176.094 0.066 0.000 1.474 507 V CA 0.099 62.444 62.300 0.075 0.000 1.025 507 V CB 0.410 32.288 31.823 0.091 0.000 0.820 507 V HN 0.047 nan 8.190 nan 0.000 0.437 508 L N 1.111 122.373 121.223 0.065 0.000 2.249 508 L HA -0.000 4.322 4.340 -0.030 0.000 0.207 508 L C 2.686 179.590 176.870 0.057 0.000 1.090 508 L CA 1.348 56.227 54.840 0.067 0.000 0.802 508 L CB -0.397 41.702 42.059 0.066 0.000 0.947 508 L HN 0.515 nan 8.230 nan 0.000 0.453 509 S N 0.009 115.736 115.700 0.045 0.000 2.419 509 S HA -0.207 4.245 4.470 -0.030 0.000 0.235 509 S C 1.562 176.184 174.600 0.035 0.000 1.019 509 S CA 1.367 59.588 58.200 0.036 0.000 0.982 509 S CB -0.295 62.920 63.200 0.024 0.000 0.789 509 S HN 0.538 nan 8.310 nan 0.000 0.490 510 E N 1.320 121.543 120.200 0.037 0.000 2.122 510 E HA 0.030 4.362 4.350 -0.030 0.000 0.190 510 E C 1.751 178.373 176.600 0.037 0.000 0.977 510 E CA 0.933 57.353 56.400 0.033 0.000 0.820 510 E CB -0.236 29.483 29.700 0.031 0.000 0.770 510 E HN 0.614 nan 8.360 nan 0.000 0.462 511 V N -1.682 118.260 119.914 0.047 0.000 3.490 511 V HA 0.163 4.265 4.120 -0.030 0.000 0.315 511 V C 0.896 177.030 176.094 0.067 0.000 1.284 511 V CA -0.087 62.244 62.300 0.052 0.000 1.233 511 V CB -1.006 30.851 31.823 0.057 0.000 1.101 511 V HN 0.267 nan 8.190 nan 0.000 0.425 512 C N -0.535 118.802 119.300 0.062 0.000 3.206 512 C HA 0.891 5.333 4.460 -0.030 0.000 0.150 512 C C 1.638 176.660 174.990 0.053 0.000 2.574 512 C CA 0.823 59.883 59.018 0.071 0.000 1.004 512 C CB 0.627 28.412 27.740 0.075 0.000 1.377 512 C HN 0.765 nan 8.230 nan 0.000 0.699 513 G N -0.752 108.073 108.800 0.041 0.000 2.520 513 G HA2 0.147 4.089 3.960 -0.030 0.000 0.067 513 G HA3 0.147 4.089 3.960 -0.030 0.000 0.067 513 G C -0.222 174.690 174.900 0.020 0.000 0.977 513 G CA 0.691 45.809 45.100 0.029 0.000 1.152 513 G HN 0.337 nan 8.290 nan 0.000 0.479 514 Q N -1.278 118.530 119.800 0.013 0.000 2.360 514 Q HA 0.153 4.475 4.340 -0.030 0.000 0.261 514 Q C 1.232 177.225 176.000 -0.013 0.000 0.802 514 Q CA 0.306 56.109 55.803 -0.000 0.000 0.983 514 Q CB 0.667 29.403 28.738 -0.003 0.000 1.211 514 Q HN 0.382 nan 8.270 nan 0.000 0.523 515 D N 0.658 121.054 120.400 -0.007 0.000 2.144 515 D HA -0.034 4.588 4.640 -0.030 0.000 0.200 515 D C 1.422 177.695 176.300 -0.045 0.000 0.978 515 D CA 1.095 55.082 54.000 -0.023 0.000 0.833 515 D CB 0.340 41.138 40.800 -0.003 0.000 0.961 515 D HN 0.322 nan 8.370 nan 0.000 0.470 516 I N -0.486 120.079 120.570 -0.008 0.000 4.070 516 I HA -0.034 4.118 4.170 -0.030 0.000 0.328 516 I C 1.547 177.681 176.117 0.029 0.000 1.298 516 I CA 0.224 61.534 61.300 0.018 0.000 1.173 516 I CB 0.575 38.621 38.000 0.077 0.000 1.051 516 I HN -0.186 nan 8.210 nan 0.000 0.409 517 T N -0.287 114.274 114.554 0.011 0.000 3.067 517 T HA -0.024 4.308 4.350 -0.030 0.000 0.261 517 T C 1.750 176.442 174.700 -0.014 0.000 1.110 517 T CA 1.333 63.441 62.100 0.014 0.000 1.113 517 T CB 0.026 68.904 68.868 0.016 0.000 0.917 517 T HN 0.250 nan 8.240 nan 0.000 0.499 518 T N 1.275 115.800 114.554 -0.049 0.000 3.042 518 T HA 0.147 4.480 4.350 -0.030 0.000 0.245 518 T C 1.805 176.436 174.700 -0.116 0.000 1.029 518 T CA 0.273 62.333 62.100 -0.065 0.000 1.120 518 T CB 0.154 68.988 68.868 -0.058 0.000 0.917 518 T HN 0.276 nan 8.240 nan 0.000 0.467 519 K N 0.036 120.307 120.400 -0.216 0.000 2.365 519 K HA 0.100 4.402 4.320 -0.030 0.000 0.197 519 K C 1.587 177.889 176.600 -0.497 0.000 1.042 519 K CA 0.703 56.763 56.287 -0.379 0.000 0.987 519 K CB 0.186 32.372 32.500 -0.523 0.000 0.779 519 K HN 0.396 nan 8.250 nan 0.000 0.484 520 H N -0.905 118.121 119.070 -0.072 0.000 2.179 520 H HA 0.216 4.754 4.556 -0.030 0.000 0.246 520 H C 0.869 176.175 175.328 -0.035 0.000 0.904 520 H CA 0.166 56.176 56.048 -0.063 0.000 1.113 520 H CB 0.151 29.855 29.762 -0.096 0.000 1.396 520 H HN -0.044 nan 8.280 nan 0.000 0.484 521 M N 1.937 121.591 119.600 0.090 0.000 3.520 521 M HA 0.028 4.490 4.480 -0.030 0.000 0.188 521 M C 0.355 176.663 176.300 0.014 0.000 1.400 521 M CA 0.413 55.740 55.300 0.045 0.000 1.553 521 M CB 0.115 32.739 32.600 0.040 0.000 1.333 521 M HN 0.158 nan 8.290 nan 0.000 0.452 522 L N -0.318 120.910 121.223 0.008 0.000 1.654 522 L HA 0.250 4.572 4.340 -0.030 0.000 0.132 522 L C -1.683 175.184 176.870 -0.006 0.000 1.375 522 L CA 0.421 55.257 54.840 -0.008 0.000 1.120 522 L CB -0.463 41.583 42.059 -0.022 0.000 2.321 522 L HN -0.040 nan 8.230 nan 0.000 0.472 523 P HA 0.081 nan 4.420 nan 0.000 0.236 523 P C 1.099 178.409 177.300 0.016 0.000 1.177 523 P CA 1.235 64.335 63.100 -0.001 0.000 0.773 523 P CB -0.023 31.671 31.700 -0.010 0.000 0.878 524 T N -0.547 114.024 114.554 0.030 0.000 2.737 524 T HA -0.077 4.255 4.350 -0.030 0.000 0.265 524 T C 1.785 176.493 174.700 0.014 0.000 1.038 524 T CA 1.447 63.566 62.100 0.031 0.000 1.144 524 T CB -0.806 68.087 68.868 0.043 0.000 0.866 524 T HN -0.104 nan 8.240 nan 0.000 0.434 525 V N 1.779 121.697 119.914 0.006 0.000 2.237 525 V HA -0.088 4.014 4.120 -0.030 0.000 0.245 525 V C 2.362 178.453 176.094 -0.005 0.000 1.046 525 V CA 1.589 63.885 62.300 -0.005 0.000 1.007 525 V CB -0.875 30.938 31.823 -0.016 0.000 0.638 525 V HN 0.412 nan 8.190 nan 0.000 0.445 526 L N -0.365 120.856 121.223 -0.004 0.000 2.554 526 L HA 0.075 4.397 4.340 -0.030 0.000 0.226 526 L C 2.572 179.443 176.870 0.001 0.000 1.137 526 L CA 0.698 55.536 54.840 -0.003 0.000 0.863 526 L CB -0.589 41.468 42.059 -0.005 0.000 0.985 526 L HN 0.233 nan 8.230 nan 0.000 0.451 527 R N 0.957 121.459 120.500 0.004 0.000 2.115 527 R HA -0.031 4.291 4.340 -0.030 0.000 0.230 527 R C 0.916 177.220 176.300 0.007 0.000 1.111 527 R CA 0.813 56.917 56.100 0.007 0.000 0.976 527 R CB 0.051 30.357 30.300 0.010 0.000 0.870 527 R HN 0.255 nan 8.270 nan 0.000 0.445 528 M N 1.614 121.218 119.600 0.007 0.000 2.497 528 M HA 0.254 4.716 4.480 -0.030 0.000 0.336 528 M C -0.911 175.394 176.300 0.008 0.000 1.378 528 M CA -0.210 55.095 55.300 0.008 0.000 1.375 528 M CB 1.483 34.089 32.600 0.010 0.000 1.337 528 M HN 0.098 nan 8.290 nan 0.000 0.461 529 A N 2.097 124.922 122.820 0.009 0.000 2.408 529 A HA 0.802 5.104 4.320 -0.030 0.000 0.295 529 A C 0.274 177.865 177.584 0.010 0.000 1.040 529 A CA -0.255 51.788 52.037 0.010 0.000 0.707 529 A CB 1.336 20.341 19.000 0.009 0.000 1.235 529 A HN 0.915 nan 8.150 nan 0.000 0.418 530 G N 1.741 110.549 108.800 0.012 0.000 2.678 530 G HA2 0.051 3.993 3.960 -0.030 0.000 0.175 530 G HA3 0.051 3.993 3.960 -0.030 0.000 0.175 530 G C -0.897 174.009 174.900 0.011 0.000 1.078 530 G CA -0.170 44.936 45.100 0.010 0.000 0.864 530 G HN 0.826 nan 8.290 nan 0.000 0.521 531 D N 0.721 121.130 120.400 0.014 0.000 2.317 531 D HA 0.461 5.083 4.640 -0.030 0.000 0.234 531 D C -0.661 175.642 176.300 0.005 0.000 1.112 531 D CA -1.815 52.195 54.000 0.016 0.000 0.840 531 D CB 1.798 42.615 40.800 0.029 0.000 1.078 531 D HN 0.087 nan 8.370 nan 0.000 0.486 532 P HA -0.079 nan 4.420 nan 0.000 0.223 532 P C 0.022 177.299 177.300 -0.038 0.000 1.144 532 P CA 0.600 63.690 63.100 -0.016 0.000 0.783 532 P CB 0.316 32.008 31.700 -0.013 0.000 0.771 533 V N -1.281 118.605 119.914 -0.045 0.000 2.732 533 V HA 0.553 4.655 4.120 -0.030 0.000 0.310 533 V C 1.205 177.257 176.094 -0.070 0.000 1.053 533 V CA -0.303 61.925 62.300 -0.120 0.000 0.957 533 V CB 1.201 32.885 31.823 -0.231 0.000 1.018 533 V HN -0.071 nan 8.190 nan 0.000 0.452 534 A N 2.097 124.863 122.820 -0.090 0.000 1.858 534 A HA -0.045 4.257 4.320 -0.030 0.000 0.215 534 A C 1.965 179.610 177.584 0.102 0.000 1.320 534 A CA 1.359 53.403 52.037 0.012 0.000 0.601 534 A CB -1.004 18.000 19.000 0.007 0.000 0.976 534 A HN 0.924 nan 8.150 nan 0.000 0.470 535 N N 0.187 118.973 118.700 0.144 0.000 2.122 535 N HA -0.226 4.497 4.740 -0.030 0.000 0.199 535 N C 1.644 177.181 175.510 0.044 0.000 1.007 535 N CA 2.457 55.645 53.050 0.230 0.000 0.892 535 N CB -0.287 38.350 38.487 0.250 0.000 1.050 535 N HN 0.209 nan 8.380 nan 0.000 0.468 536 V N 1.296 121.270 119.914 0.099 0.000 2.720 536 V HA -0.157 3.945 4.120 -0.030 0.000 0.256 536 V C 2.439 178.515 176.094 -0.030 0.000 1.082 536 V CA 1.293 63.615 62.300 0.037 0.000 1.101 536 V CB -0.526 31.367 31.823 0.117 0.000 0.693 536 V HN 0.312 nan 8.190 nan 0.000 0.479 537 R N 0.613 121.124 120.500 0.019 0.000 2.060 537 R HA -0.072 4.250 4.340 -0.030 0.000 0.225 537 R C 2.402 178.711 176.300 0.015 0.000 1.155 537 R CA 1.892 58.012 56.100 0.032 0.000 0.930 537 R CB -0.763 29.584 30.300 0.080 0.000 0.829 537 R HN 0.653 nan 8.270 nan 0.000 0.433 538 F N 1.346 121.282 119.950 -0.024 0.000 2.408 538 F HA -0.003 4.506 4.527 -0.030 0.000 0.300 538 F C 1.404 177.180 175.800 -0.041 0.000 1.090 538 F CA 0.860 58.839 58.000 -0.035 0.000 1.427 538 F CB -0.383 38.580 39.000 -0.061 0.000 1.070 538 F HN -0.086 nan 8.300 nan 0.000 0.549 539 N N 0.875 119.129 118.700 -0.744 0.000 2.461 539 N HA -0.017 4.705 4.740 -0.030 0.000 0.188 539 N C 1.763 177.073 175.510 -0.334 0.000 1.134 539 N CA 0.600 53.275 53.050 -0.625 0.000 0.878 539 N CB 0.229 38.309 38.487 -0.679 0.000 0.972 539 N HN 0.308 nan 8.380 nan 0.000 0.456 540 V N 1.038 120.830 119.914 -0.204 0.000 2.759 540 V HA -0.158 3.945 4.120 -0.030 0.000 0.256 540 V C 2.360 178.407 176.094 -0.078 0.000 1.080 540 V CA 1.515 63.742 62.300 -0.121 0.000 1.101 540 V CB -0.579 31.207 31.823 -0.062 0.000 0.698 540 V HN 0.249 nan 8.190 nan 0.000 0.477 541 A N -0.055 122.737 122.820 -0.046 0.000 1.872 541 A HA -0.155 4.147 4.320 -0.030 0.000 0.214 541 A C 2.081 179.659 177.584 -0.010 0.000 1.187 541 A CA 1.307 53.349 52.037 0.008 0.000 0.614 541 A CB -0.337 18.718 19.000 0.092 0.000 0.826 541 A HN 0.494 nan 8.150 nan 0.000 0.442 542 K N 0.023 120.399 120.400 -0.041 0.000 2.591 542 K HA 0.063 4.365 4.320 -0.030 0.000 0.197 542 K C 1.527 178.055 176.600 -0.120 0.000 1.026 542 K CA 0.556 56.813 56.287 -0.050 0.000 1.127 542 K CB -0.002 32.475 32.500 -0.038 0.000 0.871 542 K HN 0.479 nan 8.250 nan 0.000 0.507 543 S N 0.201 115.830 115.700 -0.120 0.000 2.738 543 S HA 0.112 4.564 4.470 -0.030 0.000 0.216 543 S C 1.573 176.136 174.600 -0.062 0.000 0.968 543 S CA -0.172 57.956 58.200 -0.119 0.000 0.879 543 S CB -0.053 63.066 63.200 -0.136 0.000 0.837 543 S HN 0.211 nan 8.310 nan 0.000 0.622 544 L N 2.124 123.320 121.223 -0.046 0.000 2.265 544 L HA -0.065 4.257 4.340 -0.030 0.000 0.215 544 L C 2.857 179.715 176.870 -0.019 0.000 1.117 544 L CA 1.297 56.121 54.840 -0.027 0.000 0.782 544 L CB -0.633 41.414 42.059 -0.021 0.000 0.914 544 L HN 0.596 nan 8.230 nan 0.000 0.441 545 Q N 1.129 120.917 119.800 -0.019 0.000 2.077 545 Q HA -0.315 4.007 4.340 -0.030 0.000 0.206 545 Q C 2.180 178.174 176.000 -0.011 0.000 0.989 545 Q CA 2.245 58.040 55.803 -0.013 0.000 0.853 545 Q CB 0.046 28.777 28.738 -0.011 0.000 0.907 545 Q HN 0.231 nan 8.270 nan 0.000 0.418 546 K N 0.885 121.279 120.400 -0.011 0.000 2.002 546 K HA -0.107 4.195 4.320 -0.030 0.000 0.209 546 K C 1.290 177.889 176.600 -0.001 0.000 1.048 546 K CA 1.546 57.831 56.287 -0.002 0.000 0.930 546 K CB -0.325 32.175 32.500 0.001 0.000 0.714 546 K HN 0.425 nan 8.250 nan 0.000 0.438 547 I N 0.223 120.790 120.570 -0.006 0.000 3.309 547 I HA 0.147 4.299 4.170 -0.030 0.000 0.287 547 I C 1.248 177.362 176.117 -0.006 0.000 1.221 547 I CA -0.073 61.224 61.300 -0.004 0.000 1.575 547 I CB -0.363 37.634 38.000 -0.006 0.000 1.254 547 I HN 0.189 nan 8.210 nan 0.000 0.600 548 G N 2.667 111.464 108.800 -0.005 0.000 2.610 548 G HA2 0.043 3.985 3.960 -0.030 0.000 0.215 548 G HA3 0.043 3.985 3.960 -0.030 0.000 0.215 548 G C -0.636 174.261 174.900 -0.005 0.000 1.243 548 G CA 0.400 45.496 45.100 -0.007 0.000 0.847 548 G HN 0.336 nan 8.290 nan 0.000 0.560 549 P HA 0.063 nan 4.420 nan 0.000 0.221 549 P C 1.767 179.066 177.300 -0.002 0.000 1.150 549 P CA 0.552 63.650 63.100 -0.003 0.000 0.800 549 P CB 0.021 31.721 31.700 -0.001 0.000 0.787 550 I N -1.190 119.380 120.570 -0.000 0.000 2.113 550 I HA -0.180 3.973 4.170 -0.030 0.000 0.238 550 I C 1.273 177.389 176.117 -0.002 0.000 1.070 550 I CA 0.744 62.045 61.300 0.001 0.000 1.332 550 I CB -0.839 37.164 38.000 0.005 0.000 1.044 550 I HN -0.136 nan 8.210 nan 0.000 0.402 551 L N 1.862 123.081 121.223 -0.005 0.000 2.490 551 L HA -0.046 4.276 4.340 -0.030 0.000 0.274 551 L C 0.296 177.160 176.870 -0.010 0.000 1.201 551 L CA -0.206 54.628 54.840 -0.010 0.000 0.869 551 L CB -0.148 41.903 42.059 -0.013 0.000 1.123 551 L HN 0.176 nan 8.230 nan 0.000 0.484 552 D N 2.098 122.490 120.400 -0.013 0.000 2.563 552 D HA -0.192 4.430 4.640 -0.030 0.000 0.229 552 D C 0.787 177.082 176.300 -0.010 0.000 1.159 552 D CA 0.396 54.389 54.000 -0.011 0.000 0.869 552 D CB 0.477 41.269 40.800 -0.015 0.000 1.203 552 D HN 0.431 nan 8.370 nan 0.000 0.478 553 N N 0.423 119.119 118.700 -0.008 0.000 2.530 553 N HA -0.020 4.702 4.740 -0.030 0.000 0.216 553 N C -0.146 175.360 175.510 -0.008 0.000 1.315 553 N CA 0.680 53.726 53.050 -0.007 0.000 0.858 553 N CB -0.154 38.330 38.487 -0.005 0.000 1.138 553 N HN 0.332 nan 8.380 nan 0.000 0.473 554 S N -5.335 110.359 115.700 -0.009 0.000 2.475 554 S HA 0.042 4.494 4.470 -0.030 0.000 0.270 554 S C 1.250 175.843 174.600 -0.012 0.000 1.026 554 S CA -0.332 57.862 58.200 -0.010 0.000 1.437 554 S CB -0.206 62.988 63.200 -0.010 0.000 1.215 554 S HN 0.103 nan 8.310 nan 0.000 0.648 555 T N 3.238 117.784 114.554 -0.014 0.000 3.023 555 T HA 0.279 4.612 4.350 -0.030 0.000 0.266 555 T C 1.417 176.109 174.700 -0.014 0.000 1.093 555 T CA 0.697 62.787 62.100 -0.016 0.000 1.129 555 T CB -0.438 68.418 68.868 -0.020 0.000 0.899 555 T HN 0.279 nan 8.240 nan 0.000 0.491 556 L N 0.967 122.183 121.223 -0.011 0.000 2.551 556 L HA -0.081 4.241 4.340 -0.030 0.000 0.230 556 L C 2.481 179.346 176.870 -0.008 0.000 1.163 556 L CA 0.848 55.683 54.840 -0.009 0.000 0.826 556 L CB -0.290 41.764 42.059 -0.008 0.000 0.943 556 L HN 0.265 nan 8.230 nan 0.000 0.452 557 Q N -1.979 117.816 119.800 -0.009 0.000 2.422 557 Q HA 0.079 4.401 4.340 -0.030 0.000 0.255 557 Q C 2.151 178.147 176.000 -0.008 0.000 0.864 557 Q CA 1.055 56.853 55.803 -0.007 0.000 0.968 557 Q CB 0.490 29.224 28.738 -0.007 0.000 1.130 557 Q HN 0.486 nan 8.270 nan 0.000 0.556 558 S N -0.683 115.011 115.700 -0.010 0.000 2.524 558 S HA 0.183 4.636 4.470 -0.030 0.000 0.215 558 S C 1.136 175.729 174.600 -0.012 0.000 0.986 558 S CA 0.279 58.472 58.200 -0.011 0.000 0.911 558 S CB 0.424 63.617 63.200 -0.012 0.000 0.805 558 S HN 0.211 nan 8.310 nan 0.000 0.501 559 E N -0.287 119.906 120.200 -0.013 0.000 2.661 559 E HA 0.250 4.582 4.350 -0.030 0.000 0.202 559 E C 1.404 177.997 176.600 -0.011 0.000 0.911 559 E CA 0.257 56.649 56.400 -0.014 0.000 1.581 559 E CB 0.465 30.154 29.700 -0.019 0.000 1.667 559 E HN 0.214 nan 8.360 nan 0.000 0.911 560 V N 1.560 121.467 119.914 -0.011 0.000 2.346 560 V HA -0.121 3.981 4.120 -0.030 0.000 0.244 560 V C 2.159 178.250 176.094 -0.006 0.000 1.037 560 V CA 1.725 64.020 62.300 -0.009 0.000 1.029 560 V CB -0.076 31.741 31.823 -0.009 0.000 0.663 560 V HN 0.075 nan 8.190 nan 0.000 0.454 561 K N -0.079 120.318 120.400 -0.005 0.000 2.137 561 K HA -0.019 4.283 4.320 -0.030 0.000 0.202 561 K C -0.626 175.973 176.600 -0.001 0.000 1.052 561 K CA 0.707 56.992 56.287 -0.002 0.000 0.961 561 K CB -0.659 31.840 32.500 -0.003 0.000 0.741 561 K HN 0.405 nan 8.250 nan 0.000 0.452 562 P HA -0.071 nan 4.420 nan 0.000 0.239 562 P C 0.373 177.673 177.300 0.000 0.000 1.184 562 P CA 0.871 63.970 63.100 -0.001 0.000 0.760 562 P CB 0.209 31.907 31.700 -0.003 0.000 0.884 563 I N -2.767 117.803 120.570 0.000 0.000 4.327 563 I HA 0.109 4.261 4.170 -0.030 0.000 0.331 563 I C 1.375 177.496 176.117 0.006 0.000 1.348 563 I CA 0.030 61.331 61.300 0.002 0.000 1.152 563 I CB -0.574 37.426 38.000 -0.000 0.000 1.151 563 I HN -0.053 nan 8.210 nan 0.000 0.410 564 L N 0.983 122.209 121.223 0.006 0.000 2.786 564 L HA -0.048 4.274 4.340 -0.030 0.000 0.250 564 L C 1.580 178.459 176.870 0.015 0.000 1.151 564 L CA 0.920 55.766 54.840 0.011 0.000 0.910 564 L CB -0.191 41.873 42.059 0.008 0.000 1.082 564 L HN 0.268 nan 8.230 nan 0.000 0.433 565 E N -0.897 119.311 120.200 0.013 0.000 2.475 565 E HA -0.062 4.271 4.350 -0.030 0.000 0.205 565 E C 1.797 178.407 176.600 0.015 0.000 0.822 565 E CA 0.081 56.490 56.400 0.015 0.000 1.240 565 E CB 0.260 29.966 29.700 0.011 0.000 1.222 565 E HN 0.350 nan 8.360 nan 0.000 0.581 566 K N 1.451 121.859 120.400 0.013 0.000 2.283 566 K HA -0.051 4.251 4.320 -0.030 0.000 0.202 566 K C 1.753 178.363 176.600 0.017 0.000 1.048 566 K CA 1.106 57.400 56.287 0.013 0.000 0.948 566 K CB -0.116 32.389 32.500 0.009 0.000 0.742 566 K HN 0.054 nan 8.250 nan 0.000 0.458 567 L N 1.629 122.864 121.223 0.021 0.000 2.044 567 L HA -0.050 4.272 4.340 -0.030 0.000 0.205 567 L C 1.658 178.549 176.870 0.036 0.000 1.075 567 L CA 1.249 56.106 54.840 0.028 0.000 0.747 567 L CB -0.789 41.288 42.059 0.030 0.000 0.903 567 L HN 0.353 nan 8.230 nan 0.000 0.435 568 T N -1.636 112.940 114.554 0.037 0.000 4.320 568 T HA 0.142 4.474 4.350 -0.030 0.000 0.221 568 T C 0.290 175.008 174.700 0.029 0.000 0.896 568 T CA -0.146 61.979 62.100 0.041 0.000 0.928 568 T CB -0.330 68.566 68.868 0.046 0.000 1.369 568 T HN 0.319 nan 8.240 nan 0.000 0.836 569 Q N 0.740 120.555 119.800 0.024 0.000 3.316 569 Q HA 0.259 4.581 4.340 -0.030 0.000 0.295 569 Q C -0.816 175.192 176.000 0.013 0.000 0.805 569 Q CA -0.476 55.337 55.803 0.016 0.000 0.914 569 Q CB 0.884 29.630 28.738 0.014 0.000 1.514 569 Q HN 0.387 nan 8.270 nan 0.000 0.387 570 D N 0.606 121.013 120.400 0.012 0.000 3.318 570 D HA 0.167 4.789 4.640 -0.030 0.000 0.210 570 D C 1.033 177.331 176.300 -0.003 0.000 1.157 570 D CA 0.119 54.124 54.000 0.008 0.000 1.234 570 D CB 0.494 41.305 40.800 0.017 0.000 1.003 570 D HN 0.311 nan 8.370 nan 0.000 0.316 571 Q N -0.885 118.907 119.800 -0.012 0.000 1.617 571 Q HA 0.170 4.492 4.340 -0.030 0.000 0.159 571 Q C -1.131 174.845 176.000 -0.040 0.000 0.720 571 Q CA -0.184 55.605 55.803 -0.023 0.000 0.740 571 Q CB 0.936 29.663 28.738 -0.019 0.000 1.194 571 Q HN 0.059 nan 8.270 nan 0.000 0.367 572 D N 2.666 123.036 120.400 -0.051 0.000 2.344 572 D HA 0.394 5.016 4.640 -0.030 0.000 0.239 572 D C 1.016 177.215 176.300 -0.168 0.000 1.064 572 D CA 0.396 54.343 54.000 -0.087 0.000 0.829 572 D CB 2.517 43.278 40.800 -0.064 0.000 1.129 572 D HN 0.227 nan 8.370 nan 0.000 0.506 573 V N 1.242 121.044 119.914 -0.187 0.000 0.694 573 V HA -0.315 3.788 4.120 -0.030 0.000 0.092 573 V C 0.257 176.173 176.094 -0.297 0.000 0.770 573 V CA 0.664 62.803 62.300 -0.267 0.000 3.095 573 V CB -0.864 30.731 31.823 -0.379 0.000 0.187 573 V HN 0.590 nan 8.190 nan 0.000 0.062 574 D N 0.357 120.502 120.400 -0.426 0.000 2.401 574 D HA 0.507 5.129 4.640 -0.030 0.000 0.254 574 D C 0.692 176.814 176.300 -0.297 0.000 1.192 574 D CA 0.773 54.616 54.000 -0.263 0.000 0.885 574 D CB 1.280 41.986 40.800 -0.156 0.000 1.147 574 D HN 0.667 nan 8.370 nan 0.000 0.478 575 V N 2.972 122.871 119.914 -0.025 0.000 3.408 575 V HA -0.014 4.088 4.120 -0.030 0.000 0.263 575 V C 1.574 177.749 176.094 0.136 0.000 1.503 575 V CA 0.145 62.493 62.300 0.080 0.000 1.046 575 V CB 0.199 32.054 31.823 0.052 0.000 0.851 575 V HN 0.516 nan 8.190 nan 0.000 0.435 576 K N -1.015 119.470 120.400 0.141 0.000 2.464 576 K HA 0.164 4.466 4.320 -0.030 0.000 0.206 576 K C 1.913 178.622 176.600 0.182 0.000 1.186 576 K CA 0.083 56.451 56.287 0.135 0.000 0.990 576 K CB 0.041 32.597 32.500 0.094 0.000 1.003 576 K HN 0.336 nan 8.250 nan 0.000 0.562 577 Y N 1.383 121.766 120.300 0.138 0.000 2.153 577 Y HA 0.099 4.631 4.550 -0.030 0.000 0.289 577 Y C 1.700 177.706 175.900 0.176 0.000 1.119 577 Y CA 0.976 59.161 58.100 0.143 0.000 1.116 577 Y CB -0.338 38.220 38.460 0.164 0.000 1.004 577 Y HN -0.097 nan 8.280 nan 0.000 0.501 578 F N 0.357 120.241 119.950 -0.110 0.000 2.161 578 F HA -0.202 4.308 4.527 -0.030 0.000 0.300 578 F C 2.563 178.307 175.800 -0.093 0.000 1.089 578 F CA 1.251 59.166 58.000 -0.141 0.000 1.282 578 F CB -0.485 38.601 39.000 0.143 0.000 1.010 578 F HN 0.229 nan 8.300 nan 0.000 0.485 579 A N -1.026 121.895 122.820 0.168 0.000 1.970 579 A HA -0.188 4.114 4.320 -0.030 0.000 0.216 579 A C 1.918 179.514 177.584 0.020 0.000 1.170 579 A CA 1.167 53.261 52.037 0.095 0.000 0.645 579 A CB -0.543 18.523 19.000 0.111 0.000 0.816 579 A HN 0.320 nan 8.150 nan 0.000 0.447 580 Q N 0.256 120.052 119.800 -0.006 0.000 2.369 580 Q HA -0.044 4.278 4.340 -0.030 0.000 0.206 580 Q C 1.465 177.424 176.000 -0.067 0.000 0.963 580 Q CA 1.360 57.148 55.803 -0.024 0.000 0.894 580 Q CB -0.320 28.415 28.738 -0.005 0.000 0.965 580 Q HN 0.760 nan 8.270 nan 0.000 0.475 581 E N -1.133 118.991 120.200 -0.128 0.000 2.358 581 E HA 0.022 4.354 4.350 -0.030 0.000 0.195 581 E C 0.266 176.818 176.600 -0.080 0.000 1.010 581 E CA 0.586 56.900 56.400 -0.142 0.000 0.856 581 E CB 0.161 29.710 29.700 -0.252 0.000 0.795 581 E HN 0.295 nan 8.360 nan 0.000 0.504 582 A N 0.464 123.255 122.820 -0.048 0.000 2.988 582 A HA 0.324 4.626 4.320 -0.030 0.000 0.288 582 A C 0.820 178.394 177.584 -0.017 0.000 1.385 582 A CA 0.022 52.044 52.037 -0.024 0.000 1.001 582 A CB -0.079 18.917 19.000 -0.007 0.000 1.071 582 A HN 0.184 nan 8.150 nan 0.000 0.608 583 L N -2.705 118.505 121.223 -0.022 0.000 3.857 583 L HA 0.054 4.376 4.340 -0.030 0.000 0.369 583 L C 1.887 178.747 176.870 -0.017 0.000 1.105 583 L CA 0.754 55.585 54.840 -0.014 0.000 1.360 583 L CB 0.400 42.455 42.059 -0.008 0.000 1.813 583 L HN 0.292 nan 8.230 nan 0.000 0.630 584 T N -0.882 113.657 114.554 -0.025 0.000 2.896 584 T HA 0.036 4.368 4.350 -0.030 0.000 0.263 584 T C 0.987 175.675 174.700 -0.021 0.000 1.050 584 T CA 0.973 63.059 62.100 -0.024 0.000 1.140 584 T CB 0.166 69.014 68.868 -0.034 0.000 0.877 584 T HN 0.023 nan 8.240 nan 0.000 0.457 585 V N 1.661 121.562 119.914 -0.023 0.000 2.737 585 V HA 0.443 4.545 4.120 -0.030 0.000 0.320 585 V C 0.251 176.336 176.094 -0.014 0.000 1.174 585 V CA -0.013 62.276 62.300 -0.018 0.000 1.355 585 V CB -0.375 31.435 31.823 -0.021 0.000 1.558 585 V HN 0.369 nan 8.190 nan 0.000 0.618 586 L N -0.641 120.574 121.223 -0.012 0.000 3.520 586 L HA 0.323 4.645 4.340 -0.030 0.000 0.323 586 L C 0.670 177.536 176.870 -0.008 0.000 1.246 586 L CA -0.062 54.772 54.840 -0.010 0.000 1.085 586 L CB 0.864 42.917 42.059 -0.010 0.000 1.477 586 L HN 0.400 nan 8.230 nan 0.000 0.624 587 S N 1.560 117.256 115.700 -0.007 0.000 3.727 587 S HA -0.118 4.334 4.470 -0.030 0.000 0.444 587 S C 0.117 174.713 174.600 -0.005 0.000 0.867 587 S CA 0.408 58.604 58.200 -0.006 0.000 1.324 587 S CB -1.054 62.142 63.200 -0.005 0.000 0.890 587 S HN 0.387 nan 8.310 nan 0.000 0.599 588 L N -0.205 121.015 121.223 -0.005 0.000 3.320 588 L HA 0.474 4.796 4.340 -0.030 0.000 0.331 588 L C 0.740 177.608 176.870 -0.003 0.000 1.306 588 L CA -0.085 54.752 54.840 -0.004 0.000 0.892 588 L CB 0.265 42.321 42.059 -0.005 0.000 1.337 588 L HN 0.557 nan 8.230 nan 0.000 0.604 589 A N 0.000 122.818 122.820 -0.003 0.000 2.254 589 A HA 0.000 4.302 4.320 -0.030 0.000 0.244 589 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 589 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486