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 3npl_1_B DATA FIRST_RESID 5 DATA SEQUENCE MPQPKTFGEL KNLPLLNTDK PVQALMKIAD ELGEIFKFEA PGRVTRYLSS DATA SEQUENCE QRLIKEAADE SRFDKNLSQA LKFVRDFAGD GLFTSWTHEK NWCKAHNILL DATA SEQUENCE PSFSQQAMKG YHAMMVDIAV QLVQKWERLN ADEHIEVPED MTRLTLDTIG DATA SEQUENCE LSGFNYRFNS FYRDQPHPFI TSMVRALDEA MNKLQRANPD DPAYDENKRQ DATA SEQUENCE FQEDIKVMND LVDKIIADRK ASGEQSDDLL THMLNGKDPE TGEPLDDENI DATA SEQUENCE RYQIITFLIA GHETTSGLLS FALYFLVKNP HVLQKAAEEA ARVLVDPVPS DATA SEQUENCE YKQVKQLKYV GMVLNEALRL WPTAPAFSLY AKEDTVLGGE YPLEKGDELM DATA SEQUENCE VLIPQLHRDK TIWGDDVEEF RPERFENPSA IPQHAFKPFG NGQRACIGQQ DATA SEQUENCE FALHEATLVL GMMLKHFDFE DHTNYELDIK ETLTLKPEGF VVKAKSKKIP DATA SEQUENCE LGGIPS 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.377 176.300 0.129 0.000 1.140 5 M CA 0.000 55.413 55.300 0.189 0.000 0.988 5 M CB 0.000 32.694 32.600 0.157 0.000 1.302 6 P HA 0.196 nan 4.420 nan 0.000 0.267 6 P C -1.848 175.543 177.300 0.152 0.000 1.200 6 P CA 0.082 63.253 63.100 0.118 0.000 0.772 6 P CB 0.495 32.271 31.700 0.125 0.000 0.855 7 Q N 2.366 122.227 119.800 0.101 0.000 2.281 7 Q HA 0.347 4.686 4.340 -0.001 0.000 0.263 7 Q C -2.746 173.260 176.000 0.010 0.000 0.989 7 Q CA -1.690 54.176 55.803 0.104 0.000 0.852 7 Q CB 1.893 30.676 28.738 0.076 0.000 1.337 7 Q HN 0.244 nan 8.270 nan 0.000 0.418 8 P HA 0.084 nan 4.420 nan 0.000 0.286 8 P C -0.926 176.343 177.300 -0.052 0.000 1.293 8 P CA -0.449 62.600 63.100 -0.085 0.000 0.770 8 P CB 0.594 32.209 31.700 -0.141 0.000 1.206 9 K N 0.124 120.498 120.400 -0.043 0.000 2.511 9 K HA 0.084 4.403 4.320 -0.001 0.000 0.280 9 K C 0.114 176.680 176.600 -0.058 0.000 1.008 9 K CA 0.276 56.509 56.287 -0.090 0.000 1.050 9 K CB -0.145 32.285 32.500 -0.115 0.000 0.889 9 K HN 0.555 nan 8.250 nan 0.000 0.484 10 T N 0.744 115.207 114.554 -0.151 0.000 2.943 10 T HA 0.468 4.818 4.350 -0.001 0.000 0.284 10 T C -0.269 174.297 174.700 -0.222 0.000 1.015 10 T CA -0.750 61.313 62.100 -0.062 0.000 1.042 10 T CB 0.640 69.477 68.868 -0.052 0.000 1.055 10 T HN 0.348 nan 8.240 nan 0.000 0.500 11 F N 1.449 121.363 119.950 -0.061 0.000 2.531 11 F HA 0.570 5.096 4.527 -0.001 0.000 0.333 11 F C 1.409 177.190 175.800 -0.031 0.000 1.292 11 F CA -0.194 57.782 58.000 -0.040 0.000 1.184 11 F CB 0.455 39.434 39.000 -0.034 0.000 1.426 11 F HN 1.256 nan 8.300 nan 0.000 0.559 12 G N 1.979 110.815 108.800 0.060 0.000 2.611 12 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.301 12 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.301 12 G C 1.319 176.246 174.900 0.046 0.000 1.233 12 G CA 0.640 45.766 45.100 0.043 0.000 0.993 12 G HN 0.634 nan 8.290 nan 0.000 0.553 13 E N 0.662 120.889 120.200 0.044 0.000 2.482 13 E HA 0.139 4.489 4.350 -0.001 0.000 0.196 13 E C 2.289 178.912 176.600 0.039 0.000 1.047 13 E CA 0.822 57.243 56.400 0.034 0.000 0.869 13 E CB -0.121 29.596 29.700 0.029 0.000 0.836 13 E HN 0.559 nan 8.360 nan 0.000 0.520 14 L N 0.673 121.931 121.223 0.057 0.000 2.591 14 L HA 0.036 4.375 4.340 -0.001 0.000 0.228 14 L C 0.786 177.677 176.870 0.036 0.000 1.133 14 L CA -0.086 54.781 54.840 0.044 0.000 0.880 14 L CB -0.326 41.754 42.059 0.035 0.000 1.033 14 L HN 0.035 nan 8.230 nan 0.000 0.450 15 K N 0.263 120.691 120.400 0.048 0.000 1.770 15 K HA -0.365 3.954 4.320 -0.001 0.000 0.116 15 K C 0.757 177.365 176.600 0.012 0.000 1.151 15 K CA 2.341 58.635 56.287 0.010 0.000 0.383 15 K CB -1.207 31.266 32.500 -0.046 0.000 0.607 15 K HN 0.258 nan 8.250 nan 0.000 0.907 16 N N 1.334 119.905 118.700 -0.214 0.000 2.467 16 N HA 0.016 4.756 4.740 -0.001 0.000 0.184 16 N C 1.542 176.861 175.510 -0.319 0.000 1.106 16 N CA 0.337 53.137 53.050 -0.416 0.000 0.892 16 N CB -0.014 37.763 38.487 -1.183 0.000 0.969 16 N HN 0.255 nan 8.380 nan 0.000 0.454 17 L N 1.818 122.954 121.223 -0.146 0.000 2.051 17 L HA -0.121 4.219 4.340 -0.001 0.000 0.214 17 L C -1.031 175.817 176.870 -0.036 0.000 1.076 17 L CA 2.079 56.942 54.840 0.038 0.000 0.758 17 L CB -0.979 41.103 42.059 0.039 0.000 0.890 17 L HN 0.092 nan 8.230 nan 0.000 0.433 18 P HA -0.105 nan 4.420 nan 0.000 0.226 18 P C 1.981 179.058 177.300 -0.371 0.000 1.153 18 P CA 0.978 63.796 63.100 -0.470 0.000 0.777 18 P CB -0.050 31.014 31.700 -1.060 0.000 0.794 19 L N -1.400 119.696 121.223 -0.212 0.000 2.187 19 L HA -0.133 4.207 4.340 -0.001 0.000 0.213 19 L C 1.738 178.631 176.870 0.037 0.000 1.100 19 L CA 1.195 56.035 54.840 -0.001 0.000 0.765 19 L CB -0.630 41.537 42.059 0.180 0.000 0.904 19 L HN 0.038 nan 8.230 nan 0.000 0.437 20 L N -1.013 120.249 121.223 0.066 0.000 2.700 20 L HA 0.120 4.460 4.340 -0.001 0.000 0.234 20 L C 0.448 177.313 176.870 -0.009 0.000 1.156 20 L CA -0.217 54.641 54.840 0.030 0.000 0.946 20 L CB -0.253 41.838 42.059 0.055 0.000 1.216 20 L HN 0.126 nan 8.230 nan 0.000 0.493 21 N N 1.887 120.561 118.700 -0.044 0.000 3.027 21 N HA 0.097 4.836 4.740 -0.001 0.000 0.309 21 N C -0.473 175.012 175.510 -0.042 0.000 1.222 21 N CA 0.412 53.431 53.050 -0.053 0.000 1.187 21 N CB 0.235 38.668 38.487 -0.089 0.000 1.458 21 N HN 0.158 nan 8.380 nan 0.000 0.535 22 T N -1.250 113.286 114.554 -0.030 0.000 2.894 22 T HA 0.179 4.529 4.350 -0.001 0.000 0.309 22 T C 0.439 175.123 174.700 -0.026 0.000 1.208 22 T CA -0.673 61.410 62.100 -0.028 0.000 1.016 22 T CB 1.860 70.712 68.868 -0.027 0.000 1.192 22 T HN 0.006 nan 8.240 nan 0.000 0.491 23 D N 1.057 121.442 120.400 -0.026 0.000 2.310 23 D HA -0.022 4.617 4.640 -0.001 0.000 0.212 23 D C 0.488 176.769 176.300 -0.030 0.000 0.965 23 D CA 1.065 55.049 54.000 -0.027 0.000 0.879 23 D CB 0.248 41.031 40.800 -0.029 0.000 0.921 23 D HN 0.414 nan 8.370 nan 0.000 0.510 24 K N 0.936 121.317 120.400 -0.032 0.000 2.961 24 K HA 0.166 4.486 4.320 -0.001 0.000 0.187 24 K C -1.918 174.665 176.600 -0.028 0.000 1.110 24 K CA -1.150 55.116 56.287 -0.034 0.000 0.968 24 K CB 1.841 34.315 32.500 -0.044 0.000 1.287 24 K HN -0.032 nan 8.250 nan 0.000 0.578 25 P HA -0.118 nan 4.420 nan 0.000 0.219 25 P C 1.385 178.656 177.300 -0.048 0.000 1.150 25 P CA 0.734 63.810 63.100 -0.040 0.000 0.814 25 P CB 0.283 31.958 31.700 -0.042 0.000 0.787 26 V N 0.529 120.430 119.914 -0.022 0.000 2.358 26 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 26 V C 2.800 178.907 176.094 0.022 0.000 1.047 26 V CA 1.875 64.174 62.300 -0.001 0.000 1.035 26 V CB -1.399 30.445 31.823 0.035 0.000 0.658 26 V HN 0.100 nan 8.190 nan 0.000 0.452 27 Q N -0.203 119.615 119.800 0.030 0.000 2.124 27 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 27 Q C 2.374 178.387 176.000 0.021 0.000 0.977 27 Q CA 1.769 57.604 55.803 0.053 0.000 0.850 27 Q CB -0.423 28.328 28.738 0.022 0.000 0.901 27 Q HN 0.687 nan 8.270 nan 0.000 0.429 28 A N 0.647 123.461 122.820 -0.011 0.000 1.873 28 A HA -0.160 4.159 4.320 -0.001 0.000 0.215 28 A C 2.043 179.595 177.584 -0.053 0.000 1.186 28 A CA 1.081 53.102 52.037 -0.027 0.000 0.616 28 A CB -0.696 18.287 19.000 -0.029 0.000 0.823 28 A HN 0.305 nan 8.150 nan 0.000 0.442 29 L N -1.106 120.068 121.223 -0.082 0.000 2.079 29 L HA -0.257 4.082 4.340 -0.001 0.000 0.210 29 L C 2.867 179.721 176.870 -0.027 0.000 1.081 29 L CA 1.696 56.467 54.840 -0.115 0.000 0.752 29 L CB -0.467 41.446 42.059 -0.244 0.000 0.896 29 L HN 0.431 nan 8.230 nan 0.000 0.433 30 M N -0.952 118.650 119.600 0.003 0.000 2.080 30 M HA -0.237 4.242 4.480 -0.001 0.000 0.260 30 M C 2.416 178.721 176.300 0.009 0.000 1.068 30 M CA 1.633 56.951 55.300 0.030 0.000 1.109 30 M CB -0.393 32.244 32.600 0.061 0.000 1.342 30 M HN 0.080 nan 8.290 nan 0.000 0.405 31 K N 1.136 121.532 120.400 -0.008 0.000 2.032 31 K HA -0.143 4.176 4.320 -0.001 0.000 0.209 31 K C 1.695 178.250 176.600 -0.075 0.000 1.048 31 K CA 1.637 57.909 56.287 -0.025 0.000 0.927 31 K CB -0.436 32.052 32.500 -0.019 0.000 0.712 31 K HN 0.351 nan 8.250 nan 0.000 0.441 32 I N 0.907 121.392 120.570 -0.142 0.000 2.208 32 I HA -0.298 3.871 4.170 -0.001 0.000 0.245 32 I C 2.446 178.370 176.117 -0.321 0.000 1.097 32 I CA 1.407 62.519 61.300 -0.312 0.000 1.363 32 I CB -0.331 37.351 38.000 -0.530 0.000 1.051 32 I HN 0.157 nan 8.210 nan 0.000 0.413 33 A N 0.082 122.837 122.820 -0.109 0.000 1.969 33 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 33 A C 1.930 179.540 177.584 0.043 0.000 1.169 33 A CA 1.714 53.815 52.037 0.106 0.000 0.635 33 A CB -0.494 18.659 19.000 0.256 0.000 0.810 33 A HN 0.333 nan 8.150 nan 0.000 0.445 34 D N -0.517 119.887 120.400 0.006 0.000 2.149 34 D HA -0.155 4.484 4.640 -0.001 0.000 0.198 34 D C 1.901 178.197 176.300 -0.007 0.000 0.990 34 D CA 1.734 55.737 54.000 0.006 0.000 0.839 34 D CB -0.074 40.727 40.800 0.001 0.000 0.948 34 D HN 0.670 nan 8.370 nan 0.000 0.460 35 E N 0.216 120.391 120.200 -0.041 0.000 2.060 35 E HA 0.016 4.366 4.350 -0.001 0.000 0.189 35 E C 1.888 178.466 176.600 -0.036 0.000 0.974 35 E CA 0.633 57.005 56.400 -0.047 0.000 0.808 35 E CB -0.142 29.512 29.700 -0.077 0.000 0.768 35 E HN 0.194 nan 8.360 nan 0.000 0.453 36 L N -0.440 120.749 121.223 -0.056 0.000 2.585 36 L HA 0.374 4.714 4.340 -0.001 0.000 0.226 36 L C 1.186 178.103 176.870 0.078 0.000 1.113 36 L CA 0.021 54.858 54.840 -0.006 0.000 0.876 36 L CB -0.202 41.819 42.059 -0.063 0.000 1.072 36 L HN 0.389 nan 8.230 nan 0.000 0.468 37 G N 1.792 110.642 108.800 0.085 0.000 2.527 37 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.227 37 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.227 37 G C 0.562 175.538 174.900 0.127 0.000 1.291 37 G CA 0.180 45.338 45.100 0.096 0.000 0.904 37 G HN 0.453 nan 8.290 nan 0.000 0.577 38 E N -0.416 119.835 120.200 0.086 0.000 2.358 38 E HA 0.263 4.613 4.350 -0.001 0.000 0.195 38 E C 1.226 177.817 176.600 -0.016 0.000 1.010 38 E CA 1.143 57.570 56.400 0.045 0.000 0.856 38 E CB 0.701 30.422 29.700 0.036 0.000 0.795 38 E HN 0.889 nan 8.360 nan 0.000 0.504 39 I N 0.352 120.911 120.570 -0.018 0.000 2.692 39 I HA 0.419 4.589 4.170 -0.001 0.000 0.293 39 I C -1.853 174.273 176.117 0.015 0.000 1.200 39 I CA -1.308 59.898 61.300 -0.156 0.000 1.036 39 I CB 1.596 39.340 38.000 -0.426 0.000 1.258 39 I HN 0.074 nan 8.210 nan 0.000 0.421 40 F N 4.990 124.920 119.950 -0.034 0.000 2.641 40 F HA 0.554 5.080 4.527 -0.001 0.000 0.308 40 F C -1.307 174.549 175.800 0.095 0.000 1.105 40 F CA -0.989 57.025 58.000 0.023 0.000 0.964 40 F CB 1.089 40.117 39.000 0.048 0.000 1.294 40 F HN 0.343 nan 8.300 nan 0.000 0.442 41 K N 2.337 122.901 120.400 0.274 0.000 2.270 41 K HA 0.463 4.782 4.320 -0.001 0.000 0.276 41 K C -2.013 174.838 176.600 0.418 0.000 1.023 41 K CA -0.376 56.044 56.287 0.222 0.000 0.955 41 K CB 0.808 33.392 32.500 0.139 0.000 0.975 41 K HN 0.746 nan 8.250 nan 0.000 0.471 42 F N 3.387 123.472 119.950 0.226 0.000 2.612 42 F HA 0.288 4.814 4.527 -0.001 0.000 0.332 42 F C -0.984 174.917 175.800 0.168 0.000 1.167 42 F CA -0.483 57.678 58.000 0.268 0.000 0.970 42 F CB 1.447 40.692 39.000 0.409 0.000 1.234 42 F HN 0.562 nan 8.300 nan 0.000 0.453 43 E N 3.952 124.048 120.200 -0.173 0.000 2.212 43 E HA 0.846 5.195 4.350 -0.001 0.000 0.270 43 E C -1.116 175.420 176.600 -0.106 0.000 0.956 43 E CA -1.153 55.215 56.400 -0.055 0.000 0.825 43 E CB 2.130 31.800 29.700 -0.050 0.000 1.167 43 E HN 0.662 nan 8.360 nan 0.000 0.400 44 A N 2.419 125.259 122.820 0.033 0.000 2.593 44 A HA 0.524 4.844 4.320 -0.001 0.000 0.290 44 A C -2.304 175.306 177.584 0.044 0.000 1.126 44 A CA -1.332 50.734 52.037 0.048 0.000 0.695 44 A CB 0.802 19.884 19.000 0.138 0.000 1.290 44 A HN 0.378 nan 8.150 nan 0.000 0.414 45 P HA -0.184 nan 4.420 nan 0.000 0.216 45 P C 1.598 178.918 177.300 0.034 0.000 1.167 45 P CA 2.663 65.783 63.100 0.034 0.000 0.914 45 P CB 0.117 31.838 31.700 0.035 0.000 0.793 46 G N -0.873 107.950 108.800 0.039 0.000 2.448 46 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.218 46 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.218 46 G C 0.685 175.603 174.900 0.030 0.000 1.135 46 G CA 0.233 45.352 45.100 0.031 0.000 0.784 46 G HN 0.359 nan 8.290 nan 0.000 0.543 47 R N -1.926 118.600 120.500 0.044 0.000 2.817 47 R HA 0.746 5.086 4.340 -0.001 0.000 0.268 47 R C -2.253 174.090 176.300 0.070 0.000 1.027 47 R CA -0.778 55.352 56.100 0.050 0.000 0.928 47 R CB 1.909 32.239 30.300 0.051 0.000 1.228 47 R HN 0.112 nan 8.270 nan 0.000 0.469 48 V N 0.283 120.238 119.914 0.069 0.000 2.808 48 V HA 0.663 4.783 4.120 -0.001 0.000 0.308 48 V C -1.499 174.637 176.094 0.070 0.000 1.099 48 V CA -0.129 62.223 62.300 0.086 0.000 0.920 48 V CB 2.551 34.411 31.823 0.061 0.000 1.014 48 V HN 1.040 nan 8.190 nan 0.000 0.425 49 T N 5.565 120.176 114.554 0.095 0.000 2.883 49 T HA 0.678 5.028 4.350 -0.001 0.000 0.296 49 T C -0.990 173.693 174.700 -0.029 0.000 1.117 49 T CA -0.802 61.286 62.100 -0.021 0.000 1.006 49 T CB 1.883 70.674 68.868 -0.129 0.000 1.191 49 T HN 0.736 nan 8.240 nan 0.000 0.508 50 R N 0.411 120.801 120.500 -0.185 0.000 2.439 50 R HA 0.453 4.793 4.340 -0.001 0.000 0.310 50 R C -1.495 174.547 176.300 -0.431 0.000 0.955 50 R CA -0.603 55.363 56.100 -0.222 0.000 0.853 50 R CB 1.058 31.243 30.300 -0.191 0.000 1.171 50 R HN 0.552 nan 8.270 nan 0.000 0.449 51 Y N 3.588 123.516 120.300 -0.619 0.000 2.365 51 Y HA 0.248 4.797 4.550 -0.001 0.000 0.340 51 Y C 0.128 175.669 175.900 -0.598 0.000 1.016 51 Y CA -0.198 57.456 58.100 -0.743 0.000 1.196 51 Y CB 0.784 38.489 38.460 -1.258 0.000 1.167 51 Y HN 0.273 nan 8.280 nan 0.000 0.509 52 L N 3.057 124.078 121.223 -0.335 0.000 2.307 52 L HA 0.401 4.740 4.340 -0.001 0.000 0.284 52 L C 0.455 177.226 176.870 -0.164 0.000 1.023 52 L CA -0.247 54.441 54.840 -0.254 0.000 0.810 52 L CB 1.557 43.439 42.059 -0.294 0.000 1.231 52 L HN 0.620 nan 8.230 nan 0.000 0.423 53 S N -0.260 115.389 115.700 -0.084 0.000 2.733 53 S HA 0.080 4.550 4.470 -0.001 0.000 0.247 53 S C 0.357 174.963 174.600 0.009 0.000 1.043 53 S CA -0.390 57.794 58.200 -0.025 0.000 1.066 53 S CB 0.679 63.898 63.200 0.033 0.000 1.045 53 S HN 0.750 nan 8.310 nan 0.000 0.586 54 S N 0.877 116.578 115.700 0.001 0.000 2.537 54 S HA 0.428 4.897 4.470 -0.001 0.000 0.301 54 S C 0.688 175.312 174.600 0.039 0.000 1.092 54 S CA -0.605 57.618 58.200 0.037 0.000 1.048 54 S CB 1.696 64.918 63.200 0.037 0.000 1.053 54 S HN 0.054 nan 8.310 nan 0.000 0.501 55 Q N 2.019 121.864 119.800 0.075 0.000 2.135 55 Q HA -0.227 4.113 4.340 -0.001 0.000 0.204 55 Q C 2.113 178.146 176.000 0.055 0.000 0.981 55 Q CA 2.182 58.035 55.803 0.084 0.000 0.856 55 Q CB -0.232 28.555 28.738 0.082 0.000 0.902 55 Q HN 0.954 nan 8.270 nan 0.000 0.425 56 R N -0.609 119.916 120.500 0.041 0.000 2.115 56 R HA -0.049 4.291 4.340 -0.001 0.000 0.230 56 R C 2.353 178.669 176.300 0.026 0.000 1.111 56 R CA 1.251 57.373 56.100 0.038 0.000 0.976 56 R CB -0.515 29.808 30.300 0.038 0.000 0.870 56 R HN 0.222 nan 8.270 nan 0.000 0.445 57 L N 0.387 121.614 121.223 0.006 0.000 2.162 57 L HA 0.056 4.395 4.340 -0.001 0.000 0.205 57 L C 2.382 179.197 176.870 -0.090 0.000 1.086 57 L CA 0.779 55.599 54.840 -0.032 0.000 0.778 57 L CB -0.176 41.849 42.059 -0.057 0.000 0.928 57 L HN 0.160 nan 8.230 nan 0.000 0.446 58 I N -0.007 120.515 120.570 -0.080 0.000 2.439 58 I HA -0.271 3.898 4.170 -0.001 0.000 0.251 58 I C 2.625 178.669 176.117 -0.121 0.000 1.139 58 I CA 0.954 62.184 61.300 -0.118 0.000 1.438 58 I CB -0.238 37.719 38.000 -0.072 0.000 1.085 58 I HN 0.217 nan 8.210 nan 0.000 0.427 59 K N 1.374 121.750 120.400 -0.040 0.000 2.074 59 K HA -0.259 4.061 4.320 -0.001 0.000 0.209 59 K C 1.853 178.403 176.600 -0.082 0.000 1.048 59 K CA 1.849 58.117 56.287 -0.032 0.000 0.926 59 K CB -0.044 32.519 32.500 0.104 0.000 0.713 59 K HN 0.388 nan 8.250 nan 0.000 0.444 60 E N -0.361 119.821 120.200 -0.030 0.000 2.107 60 E HA -0.117 4.233 4.350 -0.001 0.000 0.191 60 E C 1.980 178.605 176.600 0.041 0.000 0.982 60 E CA 0.751 57.175 56.400 0.040 0.000 0.809 60 E CB -0.043 29.707 29.700 0.083 0.000 0.756 60 E HN 0.454 nan 8.360 nan 0.000 0.459 61 A N 1.528 124.230 122.820 -0.198 0.000 1.972 61 A HA -0.094 4.225 4.320 -0.001 0.000 0.219 61 A C 2.337 179.834 177.584 -0.145 0.000 1.169 61 A CA 1.520 53.287 52.037 -0.451 0.000 0.635 61 A CB -0.446 18.251 19.000 -0.505 0.000 0.810 61 A HN 0.269 nan 8.150 nan 0.000 0.446 62 A N -0.297 122.412 122.820 -0.184 0.000 2.172 62 A HA -0.003 4.317 4.320 -0.001 0.000 0.216 62 A C 0.985 178.510 177.584 -0.097 0.000 1.154 62 A CA 0.962 52.855 52.037 -0.240 0.000 0.701 62 A CB -0.426 18.081 19.000 -0.822 0.000 0.789 62 A HN 0.448 nan 8.150 nan 0.000 0.465 63 D N 0.574 120.985 120.400 0.019 0.000 2.344 63 D HA 0.132 4.771 4.640 -0.001 0.000 0.253 63 D C 0.714 177.050 176.300 0.059 0.000 1.255 63 D CA -0.038 53.997 54.000 0.058 0.000 0.894 63 D CB 0.404 41.249 40.800 0.074 0.000 1.067 63 D HN 0.454 nan 8.370 nan 0.000 0.492 64 E N 1.482 121.693 120.200 0.018 0.000 2.409 64 E HA -0.137 4.212 4.350 -0.001 0.000 0.198 64 E C 1.656 178.227 176.600 -0.048 0.000 1.024 64 E CA 0.716 57.106 56.400 -0.017 0.000 0.861 64 E CB 0.117 29.803 29.700 -0.022 0.000 0.788 64 E HN 0.556 nan 8.360 nan 0.000 0.521 65 S N 0.413 116.084 115.700 -0.048 0.000 2.461 65 S HA -0.003 4.467 4.470 -0.001 0.000 0.228 65 S C 1.829 176.334 174.600 -0.157 0.000 1.005 65 S CA 0.246 58.402 58.200 -0.073 0.000 0.942 65 S CB 0.146 63.317 63.200 -0.048 0.000 0.776 65 S HN 0.155 nan 8.310 nan 0.000 0.514 66 R N -0.823 119.537 120.500 -0.233 0.000 2.167 66 R HA 0.396 4.735 4.340 -0.001 0.000 0.201 66 R C -0.728 175.060 176.300 -0.854 0.000 1.024 66 R CA 0.357 56.125 56.100 -0.553 0.000 1.053 66 R CB 0.263 30.175 30.300 -0.647 0.000 0.987 66 R HN 0.380 nan 8.270 nan 0.000 0.493 67 F N 0.425 120.279 119.950 -0.160 0.000 2.547 67 F HA 0.315 4.842 4.527 -0.001 0.000 0.316 67 F C -0.179 175.436 175.800 -0.308 0.000 1.121 67 F CA -1.458 56.393 58.000 -0.249 0.000 0.911 67 F CB 1.691 40.582 39.000 -0.182 0.000 1.179 67 F HN -0.220 nan 8.300 nan 0.000 0.443 68 D N 1.393 121.566 120.400 -0.377 0.000 2.442 68 D HA 0.253 4.892 4.640 -0.001 0.000 0.254 68 D C -0.825 175.324 176.300 -0.250 0.000 1.069 68 D CA -0.781 52.993 54.000 -0.378 0.000 1.017 68 D CB 1.460 41.977 40.800 -0.471 0.000 1.172 68 D HN 0.488 nan 8.370 nan 0.000 0.561 69 K N 1.244 121.560 120.400 -0.139 0.000 2.412 69 K HA 0.128 4.447 4.320 -0.001 0.000 0.281 69 K C -0.516 176.186 176.600 0.170 0.000 1.027 69 K CA -0.254 55.994 56.287 -0.065 0.000 0.989 69 K CB 0.335 32.694 32.500 -0.236 0.000 0.935 69 K HN 0.308 nan 8.250 nan 0.000 0.475 70 N N 3.682 122.476 118.700 0.157 0.000 2.417 70 N HA 0.263 5.002 4.740 -0.001 0.000 0.300 70 N C -1.362 174.050 175.510 -0.163 0.000 1.102 70 N CA -0.684 52.497 53.050 0.219 0.000 0.886 70 N CB 0.894 39.545 38.487 0.274 0.000 1.203 70 N HN 0.522 nan 8.380 nan 0.000 0.496 71 L N 2.577 123.506 121.223 -0.489 0.000 2.268 71 L HA 0.313 4.652 4.340 -0.001 0.000 0.289 71 L C 0.684 177.415 176.870 -0.231 0.000 1.064 71 L CA -0.699 53.837 54.840 -0.507 0.000 0.824 71 L CB 0.410 41.935 42.059 -0.890 0.000 1.202 71 L HN 0.658 nan 8.230 nan 0.000 0.433 72 S N 1.426 117.030 115.700 -0.159 0.000 2.587 72 S HA -0.039 4.431 4.470 -0.001 0.000 0.260 72 S C 0.873 175.375 174.600 -0.163 0.000 1.353 72 S CA -0.389 57.738 58.200 -0.121 0.000 0.995 72 S CB 1.113 64.254 63.200 -0.099 0.000 0.912 72 S HN 0.630 nan 8.310 nan 0.000 0.568 73 Q N 1.141 120.844 119.800 -0.162 0.000 2.096 73 Q HA -0.069 4.270 4.340 -0.001 0.000 0.204 73 Q C 2.276 178.044 176.000 -0.387 0.000 0.982 73 Q CA 2.274 57.895 55.803 -0.304 0.000 0.850 73 Q CB -1.163 27.452 28.738 -0.206 0.000 0.901 73 Q HN 0.917 nan 8.270 nan 0.000 0.422 74 A N -0.140 122.601 122.820 -0.131 0.000 1.902 74 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 74 A C 2.067 179.627 177.584 -0.041 0.000 1.181 74 A CA 1.402 53.442 52.037 0.005 0.000 0.623 74 A CB -0.705 18.317 19.000 0.037 0.000 0.818 74 A HN 0.450 nan 8.150 nan 0.000 0.443 75 L N -0.968 120.192 121.223 -0.105 0.000 2.156 75 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 75 L C 2.447 179.200 176.870 -0.195 0.000 1.095 75 L CA 1.344 56.109 54.840 -0.126 0.000 0.770 75 L CB -0.407 41.583 42.059 -0.115 0.000 0.914 75 L HN 0.394 nan 8.230 nan 0.000 0.439 76 K N -0.457 119.784 120.400 -0.264 0.000 2.147 76 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 76 K C 1.971 178.461 176.600 -0.183 0.000 1.049 76 K CA 1.239 57.363 56.287 -0.271 0.000 0.936 76 K CB -0.108 32.187 32.500 -0.342 0.000 0.722 76 K HN 0.101 nan 8.250 nan 0.000 0.446 77 F N 0.462 120.367 119.950 -0.075 0.000 2.163 77 F HA -0.114 4.412 4.527 -0.001 0.000 0.297 77 F C 2.254 178.011 175.800 -0.071 0.000 1.094 77 F CA 0.432 58.401 58.000 -0.052 0.000 1.290 77 F CB -0.895 38.066 39.000 -0.065 0.000 1.017 77 F HN -0.266 nan 8.300 nan 0.000 0.483 78 V N 0.152 120.056 119.914 -0.016 0.000 2.407 78 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 78 V C 2.513 178.189 176.094 -0.696 0.000 1.055 78 V CA 1.765 63.808 62.300 -0.428 0.000 1.049 78 V CB -0.724 30.897 31.823 -0.336 0.000 0.662 78 V HN 0.234 nan 8.190 nan 0.000 0.455 79 R N 0.092 120.384 120.500 -0.347 0.000 2.211 79 R HA -0.218 4.121 4.340 -0.001 0.000 0.240 79 R C 1.776 177.937 176.300 -0.232 0.000 1.144 79 R CA 1.642 57.558 56.100 -0.307 0.000 0.992 79 R CB -0.301 29.875 30.300 -0.207 0.000 0.869 79 R HN 0.510 nan 8.270 nan 0.000 0.462 80 D N -0.679 119.670 120.400 -0.085 0.000 2.218 80 D HA -0.170 4.469 4.640 -0.001 0.000 0.204 80 D C 1.221 177.596 176.300 0.125 0.000 0.976 80 D CA 1.346 55.411 54.000 0.108 0.000 0.853 80 D CB 0.024 41.047 40.800 0.372 0.000 0.939 80 D HN 0.519 nan 8.370 nan 0.000 0.481 81 F N -2.530 117.462 119.950 0.071 0.000 2.711 81 F HA 0.545 5.071 4.527 -0.001 0.000 0.296 81 F C 1.723 177.602 175.800 0.132 0.000 1.096 81 F CA -0.179 57.862 58.000 0.070 0.000 1.280 81 F CB -0.107 38.864 39.000 -0.048 0.000 1.060 81 F HN -0.114 nan 8.300 nan 0.000 0.608 82 A N 0.970 123.604 122.820 -0.309 0.000 2.275 82 A HA 0.569 4.888 4.320 -0.001 0.000 0.212 82 A C 1.901 179.195 177.584 -0.483 0.000 1.201 82 A CA 0.592 52.534 52.037 -0.158 0.000 0.843 82 A CB -1.306 17.548 19.000 -0.243 0.000 0.873 82 A HN 0.764 nan 8.150 nan 0.000 0.492 83 G N 1.400 109.702 108.800 -0.831 0.000 2.652 83 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.318 83 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.318 83 G C 0.206 174.734 174.900 -0.620 0.000 1.295 83 G CA 0.692 45.027 45.100 -1.274 0.000 0.999 83 G HN 0.975 nan 8.290 nan 0.000 0.548 84 D N 1.422 121.540 120.400 -0.470 0.000 2.895 84 D HA 0.487 5.126 4.640 -0.001 0.000 0.258 84 D C 0.992 177.325 176.300 0.055 0.000 1.311 84 D CA 0.670 54.622 54.000 -0.081 0.000 0.843 84 D CB -0.287 40.547 40.800 0.056 0.000 1.055 84 D HN 0.783 nan 8.370 nan 0.000 0.486 85 G N -0.104 108.712 108.800 0.027 0.000 2.653 85 G HA2 0.214 4.173 3.960 -0.001 0.000 0.265 85 G HA3 0.214 4.173 3.960 -0.001 0.000 0.265 85 G C 1.045 176.046 174.900 0.169 0.000 1.237 85 G CA -0.713 44.484 45.100 0.161 0.000 0.946 85 G HN 0.278 nan 8.290 nan 0.000 0.522 86 L N -0.941 120.405 121.223 0.205 0.000 2.079 86 L HA -0.086 4.253 4.340 -0.001 0.000 0.210 86 L C 2.493 179.480 176.870 0.196 0.000 1.081 86 L CA 1.135 56.125 54.840 0.250 0.000 0.752 86 L CB -0.263 41.912 42.059 0.194 0.000 0.896 86 L HN 0.541 nan 8.230 nan 0.000 0.433 87 F N 0.403 120.335 119.950 -0.029 0.000 2.293 87 F HA -0.119 4.408 4.527 -0.001 0.000 0.297 87 F C 2.232 177.941 175.800 -0.151 0.000 1.089 87 F CA 1.495 59.436 58.000 -0.098 0.000 1.377 87 F CB 0.042 38.963 39.000 -0.130 0.000 1.051 87 F HN 0.044 nan 8.300 nan 0.000 0.511 88 T N -2.318 112.288 114.554 0.087 0.000 3.228 88 T HA 0.289 4.639 4.350 -0.001 0.000 0.278 88 T C 0.252 174.819 174.700 -0.220 0.000 1.014 88 T CA 0.083 62.127 62.100 -0.093 0.000 0.904 88 T CB -0.737 68.049 68.868 -0.137 0.000 1.110 88 T HN 0.117 nan 8.240 nan 0.000 0.541 89 S N 0.054 115.667 115.700 -0.146 0.000 2.549 89 S HA 0.664 5.133 4.470 -0.001 0.000 0.297 89 S C -0.546 173.918 174.600 -0.226 0.000 1.115 89 S CA -1.176 56.956 58.200 -0.113 0.000 1.059 89 S CB 0.638 63.918 63.200 0.134 0.000 1.046 89 S HN 0.496 nan 8.310 nan 0.000 0.506 90 W N 1.434 122.717 121.300 -0.028 0.000 2.181 90 W HA 0.237 4.896 4.660 -0.001 0.000 0.335 90 W C 1.679 178.121 176.519 -0.129 0.000 1.310 90 W CA -0.232 57.071 57.345 -0.070 0.000 1.226 90 W CB -0.032 29.421 29.460 -0.011 0.000 1.155 90 W HN 0.761 nan 8.180 nan 0.000 0.565 91 T N 0.874 115.357 114.554 -0.118 0.000 2.721 91 T HA -0.290 4.059 4.350 -0.001 0.000 0.268 91 T C 0.932 175.509 174.700 -0.205 0.000 1.038 91 T CA 1.837 63.643 62.100 -0.490 0.000 1.145 91 T CB -0.391 68.038 68.868 -0.731 0.000 0.858 91 T HN 0.447 nan 8.240 nan 0.000 0.459 92 H N 0.149 119.324 119.070 0.175 0.000 2.526 92 H HA 0.356 4.911 4.556 -0.001 0.000 0.274 92 H C 0.704 176.139 175.328 0.177 0.000 0.999 92 H CA -0.180 55.965 56.048 0.161 0.000 1.157 92 H CB 0.249 30.066 29.762 0.091 0.000 1.407 92 H HN 0.368 nan 8.280 nan 0.000 0.568 93 E N 1.575 121.957 120.200 0.303 0.000 2.338 93 E HA -0.027 4.323 4.350 -0.001 0.000 0.272 93 E C 1.218 177.968 176.600 0.250 0.000 1.029 93 E CA -0.323 56.240 56.400 0.272 0.000 0.872 93 E CB 0.789 30.681 29.700 0.320 0.000 1.015 93 E HN 0.146 nan 8.360 nan 0.000 0.417 94 K N 3.449 123.964 120.400 0.191 0.000 2.077 94 K HA -0.275 4.045 4.320 -0.001 0.000 0.213 94 K C 0.928 177.625 176.600 0.161 0.000 1.051 94 K CA 1.752 58.135 56.287 0.159 0.000 0.929 94 K CB -0.059 32.516 32.500 0.124 0.000 0.715 94 K HN 0.481 nan 8.250 nan 0.000 0.451 95 N N -0.341 118.464 118.700 0.174 0.000 2.457 95 N HA -0.120 4.620 4.740 -0.001 0.000 0.180 95 N C 1.332 176.934 175.510 0.154 0.000 1.050 95 N CA 0.624 53.767 53.050 0.154 0.000 0.906 95 N CB -0.292 38.294 38.487 0.164 0.000 0.968 95 N HN 0.328 nan 8.380 nan 0.000 0.445 96 W N 1.599 122.954 121.300 0.093 0.000 2.352 96 W HA -0.203 4.456 4.660 -0.001 0.000 0.322 96 W C 2.337 178.916 176.519 0.099 0.000 1.208 96 W CA 1.103 58.491 57.345 0.073 0.000 1.286 96 W CB -0.796 28.674 29.460 0.017 0.000 1.167 96 W HN -0.042 nan 8.180 nan 0.000 0.469 97 C N 0.701 119.960 119.300 -0.067 0.000 2.413 97 C HA -0.205 4.254 4.460 -0.001 0.000 0.276 97 C C 2.768 177.637 174.990 -0.202 0.000 1.236 97 C CA 1.711 60.577 59.018 -0.253 0.000 1.735 97 C CB -1.382 26.394 27.740 0.060 0.000 2.031 97 C HN 0.418 nan 8.230 nan 0.000 0.474 98 K N 0.554 120.913 120.400 -0.069 0.000 2.001 98 K HA -0.204 4.116 4.320 -0.001 0.000 0.214 98 K C 2.085 178.651 176.600 -0.056 0.000 1.050 98 K CA 1.961 58.231 56.287 -0.028 0.000 0.934 98 K CB -0.330 32.187 32.500 0.029 0.000 0.718 98 K HN 0.456 nan 8.250 nan 0.000 0.443 99 A N -0.203 122.578 122.820 -0.065 0.000 1.968 99 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 99 A C 1.889 179.419 177.584 -0.092 0.000 1.169 99 A CA 1.759 53.782 52.037 -0.025 0.000 0.638 99 A CB -0.748 18.288 19.000 0.059 0.000 0.812 99 A HN 0.591 nan 8.150 nan 0.000 0.446 100 H N 0.716 119.542 119.070 -0.406 0.000 2.321 100 H HA -0.098 4.458 4.556 -0.001 0.000 0.300 100 H C 1.937 177.118 175.328 -0.245 0.000 1.087 100 H CA 2.144 57.910 56.048 -0.470 0.000 1.319 100 H CB -0.047 29.018 29.762 -1.161 0.000 1.379 100 H HN 0.412 nan 8.280 nan 0.000 0.501 101 N N 0.403 118.969 118.700 -0.223 0.000 2.106 101 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 101 N C 2.170 177.610 175.510 -0.116 0.000 1.029 101 N CA 1.473 54.433 53.050 -0.150 0.000 0.848 101 N CB -0.303 38.154 38.487 -0.052 0.000 1.007 101 N HN 0.426 nan 8.380 nan 0.000 0.423 102 I N 0.799 121.326 120.570 -0.071 0.000 2.264 102 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 102 I C 1.706 177.807 176.117 -0.027 0.000 1.111 102 I CA 1.127 62.415 61.300 -0.020 0.000 1.382 102 I CB -0.037 37.969 38.000 0.010 0.000 1.060 102 I HN 0.061 nan 8.210 nan 0.000 0.418 103 L N -1.152 120.039 121.223 -0.054 0.000 2.556 103 L HA 0.025 4.365 4.340 -0.001 0.000 0.226 103 L C 2.126 179.005 176.870 0.014 0.000 1.089 103 L CA -0.179 54.644 54.840 -0.028 0.000 0.864 103 L CB -0.101 42.004 42.059 0.075 0.000 1.067 103 L HN 0.174 nan 8.230 nan 0.000 0.477 104 L N 1.998 123.165 121.223 -0.094 0.000 2.043 104 L HA -0.129 4.211 4.340 -0.001 0.000 0.212 104 L C -0.567 176.302 176.870 -0.003 0.000 1.075 104 L CA 2.316 57.117 54.840 -0.067 0.000 0.752 104 L CB -1.327 40.564 42.059 -0.279 0.000 0.891 104 L HN 0.109 nan 8.230 nan 0.000 0.432 105 P HA -0.042 nan 4.420 nan 0.000 0.228 105 P C 1.420 178.552 177.300 -0.280 0.000 1.151 105 P CA 1.007 64.026 63.100 -0.134 0.000 0.770 105 P CB -0.049 31.584 31.700 -0.112 0.000 0.786 106 S N -1.719 113.743 115.700 -0.396 0.000 2.607 106 S HA 0.097 4.567 4.470 -0.001 0.000 0.224 106 S C 0.536 174.701 174.600 -0.726 0.000 0.969 106 S CA 0.574 58.382 58.200 -0.654 0.000 0.927 106 S CB -0.677 62.050 63.200 -0.789 0.000 0.772 106 S HN 0.180 nan 8.310 nan 0.000 0.533 107 F N 1.243 121.195 119.950 0.003 0.000 2.775 107 F HA 0.271 4.798 4.527 -0.001 0.000 0.313 107 F C 1.058 176.891 175.800 0.055 0.000 1.121 107 F CA -0.704 57.365 58.000 0.116 0.000 1.206 107 F CB -0.046 39.031 39.000 0.128 0.000 1.052 107 F HN -0.002 nan 8.300 nan 0.000 0.524 108 S N -0.173 115.565 115.700 0.064 0.000 2.584 108 S HA 0.060 4.530 4.470 -0.001 0.000 0.270 108 S C 1.297 175.890 174.600 -0.011 0.000 1.346 108 S CA -0.589 57.622 58.200 0.019 0.000 1.018 108 S CB 0.988 64.163 63.200 -0.041 0.000 0.899 108 S HN 0.175 nan 8.310 nan 0.000 0.542 109 Q N 0.715 120.507 119.800 -0.012 0.000 2.226 109 Q HA -0.174 4.165 4.340 -0.001 0.000 0.204 109 Q C 2.162 178.056 176.000 -0.177 0.000 0.975 109 Q CA 1.701 57.478 55.803 -0.042 0.000 0.866 109 Q CB -0.678 28.057 28.738 -0.006 0.000 0.915 109 Q HN 0.962 nan 8.270 nan 0.000 0.440 110 Q N -0.071 119.628 119.800 -0.169 0.000 2.084 110 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 110 Q C 1.866 177.695 176.000 -0.284 0.000 0.978 110 Q CA 1.518 57.191 55.803 -0.217 0.000 0.844 110 Q CB -0.015 28.629 28.738 -0.157 0.000 0.898 110 Q HN 0.351 nan 8.270 nan 0.000 0.426 111 A N 0.649 123.292 122.820 -0.295 0.000 1.898 111 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 111 A C 2.052 179.248 177.584 -0.647 0.000 1.181 111 A CA 1.438 53.169 52.037 -0.510 0.000 0.620 111 A CB -0.454 18.260 19.000 -0.476 0.000 0.819 111 A HN 0.401 nan 8.150 nan 0.000 0.442 112 M N -0.186 119.261 119.600 -0.255 0.000 2.108 112 M HA -0.157 4.323 4.480 -0.001 0.000 0.261 112 M C 1.916 178.160 176.300 -0.094 0.000 1.066 112 M CA 1.708 57.003 55.300 -0.007 0.000 1.107 112 M CB -1.195 31.484 32.600 0.132 0.000 1.356 112 M HN 0.399 nan 8.290 nan 0.000 0.406 113 K N -0.557 119.603 120.400 -0.401 0.000 2.147 113 K HA -0.075 4.245 4.320 -0.001 0.000 0.205 113 K C 1.961 178.438 176.600 -0.205 0.000 1.049 113 K CA 1.239 57.200 56.287 -0.544 0.000 0.936 113 K CB -0.415 31.666 32.500 -0.697 0.000 0.722 113 K HN 0.488 nan 8.250 nan 0.000 0.446 114 G N -0.802 107.844 108.800 -0.256 0.000 2.712 114 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.212 114 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.212 114 G C 0.794 175.648 174.900 -0.076 0.000 1.142 114 G CA 0.184 45.171 45.100 -0.190 0.000 0.789 114 G HN 0.189 nan 8.290 nan 0.000 0.535 115 Y N -0.685 119.648 120.300 0.056 0.000 2.490 115 Y HA 0.116 4.665 4.550 -0.001 0.000 0.285 115 Y C 2.322 178.287 175.900 0.108 0.000 1.117 115 Y CA -0.138 58.012 58.100 0.084 0.000 1.262 115 Y CB -0.756 37.762 38.460 0.096 0.000 1.043 115 Y HN 0.426 nan 8.280 nan 0.000 0.553 116 H N 0.314 119.521 119.070 0.228 0.000 2.319 116 H HA -0.204 4.351 4.556 -0.001 0.000 0.297 116 H C 2.263 177.695 175.328 0.174 0.000 1.097 116 H CA 2.027 58.232 56.048 0.262 0.000 1.285 116 H CB -0.051 29.931 29.762 0.367 0.000 1.368 116 H HN 0.220 nan 8.280 nan 0.000 0.495 117 A N 0.223 123.162 122.820 0.199 0.000 1.940 117 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 117 A C 2.435 180.046 177.584 0.046 0.000 1.176 117 A CA 1.928 54.033 52.037 0.115 0.000 0.631 117 A CB -0.598 18.476 19.000 0.124 0.000 0.814 117 A HN 0.575 nan 8.150 nan 0.000 0.446 118 M N -1.285 118.363 119.600 0.080 0.000 2.447 118 M HA 0.067 4.546 4.480 -0.001 0.000 0.264 118 M C 2.102 178.431 176.300 0.049 0.000 1.095 118 M CA 0.699 56.047 55.300 0.079 0.000 1.125 118 M CB -0.192 32.484 32.600 0.127 0.000 1.389 118 M HN 0.412 nan 8.290 nan 0.000 0.459 119 M N -0.821 118.780 119.600 0.002 0.000 2.175 119 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 119 M C 2.031 178.266 176.300 -0.107 0.000 1.063 119 M CA 1.147 56.411 55.300 -0.061 0.000 1.119 119 M CB -0.448 32.070 32.600 -0.136 0.000 1.377 119 M HN 0.102 nan 8.290 nan 0.000 0.415 120 V N 0.589 120.403 119.914 -0.167 0.000 2.427 120 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 120 V C 2.186 178.240 176.094 -0.066 0.000 1.051 120 V CA 1.854 64.072 62.300 -0.138 0.000 1.048 120 V CB -0.721 31.023 31.823 -0.133 0.000 0.666 120 V HN 0.491 nan 8.190 nan 0.000 0.456 121 D N 0.612 120.995 120.400 -0.028 0.000 2.106 121 D HA -0.195 4.444 4.640 -0.001 0.000 0.191 121 D C 2.035 178.330 176.300 -0.009 0.000 0.997 121 D CA 1.657 55.654 54.000 -0.005 0.000 0.834 121 D CB -0.004 40.814 40.800 0.029 0.000 0.956 121 D HN 0.313 nan 8.370 nan 0.000 0.448 122 I N 1.259 121.841 120.570 0.021 0.000 2.315 122 I HA -0.138 4.031 4.170 -0.001 0.000 0.248 122 I C 2.676 178.764 176.117 -0.049 0.000 1.117 122 I CA 0.837 62.170 61.300 0.055 0.000 1.404 122 I CB -1.679 36.406 38.000 0.142 0.000 1.071 122 I HN -0.023 nan 8.210 nan 0.000 0.419 123 A N 0.617 123.391 122.820 -0.075 0.000 1.969 123 A HA -0.077 4.242 4.320 -0.001 0.000 0.218 123 A C 2.555 180.013 177.584 -0.209 0.000 1.169 123 A CA 1.203 53.159 52.037 -0.134 0.000 0.635 123 A CB -0.776 18.165 19.000 -0.099 0.000 0.810 123 A HN 0.235 nan 8.150 nan 0.000 0.445 124 V N 0.125 119.934 119.914 -0.174 0.000 2.358 124 V HA -0.310 3.809 4.120 -0.001 0.000 0.246 124 V C 2.633 178.557 176.094 -0.284 0.000 1.047 124 V CA 2.184 64.368 62.300 -0.193 0.000 1.035 124 V CB -0.856 30.894 31.823 -0.122 0.000 0.658 124 V HN 0.640 nan 8.190 nan 0.000 0.452 125 Q N -0.681 118.924 119.800 -0.326 0.000 2.096 125 Q HA -0.263 4.077 4.340 -0.001 0.000 0.204 125 Q C 2.306 177.738 176.000 -0.946 0.000 0.982 125 Q CA 1.958 57.442 55.803 -0.531 0.000 0.850 125 Q CB -0.389 28.081 28.738 -0.446 0.000 0.901 125 Q HN 0.544 nan 8.270 nan 0.000 0.422 126 L N 0.300 120.893 121.223 -1.049 0.000 2.017 126 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 126 L C 2.184 178.547 176.870 -0.845 0.000 1.073 126 L CA 1.398 55.571 54.840 -1.112 0.000 0.745 126 L CB -0.429 41.197 42.059 -0.723 0.000 0.894 126 L HN -0.031 nan 8.230 nan 0.000 0.432 127 V N -0.388 119.222 119.914 -0.506 0.000 2.343 127 V HA -0.323 3.796 4.120 -0.001 0.000 0.247 127 V C 2.567 178.597 176.094 -0.106 0.000 1.051 127 V CA 2.095 64.271 62.300 -0.207 0.000 1.036 127 V CB -0.654 31.048 31.823 -0.202 0.000 0.654 127 V HN 0.571 nan 8.190 nan 0.000 0.451 128 Q N -0.325 119.339 119.800 -0.226 0.000 2.119 128 Q HA -0.241 4.099 4.340 -0.001 0.000 0.201 128 Q C 2.373 178.303 176.000 -0.117 0.000 0.972 128 Q CA 1.619 57.333 55.803 -0.147 0.000 0.847 128 Q CB -0.235 28.399 28.738 -0.174 0.000 0.903 128 Q HN 0.592 nan 8.270 nan 0.000 0.433 129 K N 0.178 120.431 120.400 -0.245 0.000 2.020 129 K HA -0.203 4.116 4.320 -0.001 0.000 0.212 129 K C 1.622 178.294 176.600 0.120 0.000 1.050 129 K CA 1.649 57.867 56.287 -0.116 0.000 0.929 129 K CB -0.049 32.343 32.500 -0.180 0.000 0.714 129 K HN 0.238 nan 8.250 nan 0.000 0.443 130 W N 1.756 122.979 121.300 -0.128 0.000 2.418 130 W HA -0.038 4.621 4.660 -0.001 0.000 0.292 130 W C 2.007 178.539 176.519 0.022 0.000 1.213 130 W CA 0.267 57.496 57.345 -0.193 0.000 1.283 130 W CB -0.801 28.277 29.460 -0.637 0.000 1.119 130 W HN 0.199 nan 8.180 nan 0.000 0.542 131 E N 0.454 120.906 120.200 0.419 0.000 2.097 131 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 131 E C 1.867 178.552 176.600 0.143 0.000 1.000 131 E CA 1.348 57.926 56.400 0.296 0.000 0.804 131 E CB -0.489 29.294 29.700 0.139 0.000 0.740 131 E HN 0.368 nan 8.360 nan 0.000 0.454 132 R N 0.183 120.738 120.500 0.091 0.000 2.313 132 R HA 0.158 4.498 4.340 -0.001 0.000 0.199 132 R C 0.636 176.954 176.300 0.030 0.000 0.958 132 R CA -0.145 55.979 56.100 0.040 0.000 1.047 132 R CB 0.011 30.315 30.300 0.008 0.000 0.955 132 R HN 0.056 nan 8.270 nan 0.000 0.481 133 L N 1.827 123.074 121.223 0.041 0.000 2.426 133 L HA 0.073 4.413 4.340 -0.001 0.000 0.271 133 L C 0.411 177.273 176.870 -0.015 0.000 1.169 133 L CA -0.336 54.501 54.840 -0.005 0.000 0.836 133 L CB 0.306 42.338 42.059 -0.045 0.000 1.112 133 L HN 0.137 nan 8.230 nan 0.000 0.465 134 N N 1.274 119.956 118.700 -0.031 0.000 2.381 134 N HA 0.102 4.842 4.740 -0.001 0.000 0.254 134 N C 0.791 176.276 175.510 -0.042 0.000 1.264 134 N CA 0.161 53.193 53.050 -0.029 0.000 0.942 134 N CB 1.022 39.492 38.487 -0.028 0.000 1.190 134 N HN 0.728 nan 8.380 nan 0.000 0.495 135 A N 0.502 123.302 122.820 -0.033 0.000 2.019 135 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 135 A C 1.276 178.829 177.584 -0.052 0.000 1.164 135 A CA 1.550 53.564 52.037 -0.039 0.000 0.644 135 A CB -0.360 18.624 19.000 -0.026 0.000 0.805 135 A HN 0.795 nan 8.150 nan 0.000 0.449 136 D N -0.211 120.161 120.400 -0.045 0.000 2.349 136 D HA 0.003 4.643 4.640 -0.001 0.000 0.224 136 D C 0.261 176.528 176.300 -0.055 0.000 1.029 136 D CA 0.129 54.105 54.000 -0.041 0.000 0.879 136 D CB -0.109 40.677 40.800 -0.024 0.000 0.906 136 D HN 0.575 nan 8.370 nan 0.000 0.528 137 E N 0.409 120.556 120.200 -0.089 0.000 2.232 137 E HA 0.264 4.614 4.350 -0.001 0.000 0.265 137 E C 0.214 176.714 176.600 -0.167 0.000 1.001 137 E CA -0.711 55.603 56.400 -0.142 0.000 0.870 137 E CB 1.318 30.924 29.700 -0.158 0.000 1.175 137 E HN 0.366 nan 8.360 nan 0.000 0.407 138 H N -0.625 118.321 119.070 -0.206 0.000 2.864 138 H HA 0.561 5.117 4.556 -0.001 0.000 0.354 138 H C -0.856 174.307 175.328 -0.275 0.000 1.208 138 H CA -1.041 54.833 56.048 -0.290 0.000 1.191 138 H CB 0.916 30.509 29.762 -0.283 0.000 1.889 138 H HN 0.303 nan 8.280 nan 0.000 0.574 139 I N 1.258 121.714 120.570 -0.190 0.000 2.377 139 I HA 0.118 4.288 4.170 -0.001 0.000 0.293 139 I C -0.236 175.795 176.117 -0.144 0.000 0.987 139 I CA -0.518 60.584 61.300 -0.330 0.000 1.185 139 I CB 1.772 39.297 38.000 -0.792 0.000 1.341 139 I HN 0.477 nan 8.210 nan 0.000 0.455 140 E N 5.545 125.697 120.200 -0.080 0.000 2.044 140 E HA 0.159 4.508 4.350 -0.001 0.000 0.282 140 E C 0.519 177.061 176.600 -0.096 0.000 1.031 140 E CA -0.326 56.029 56.400 -0.074 0.000 0.824 140 E CB 1.642 31.335 29.700 -0.010 0.000 1.076 140 E HN 0.429 nan 8.360 nan 0.000 0.395 141 V N 5.029 124.806 119.914 -0.229 0.000 2.244 141 V HA -0.156 3.963 4.120 -0.001 0.000 0.244 141 V C -0.967 175.121 176.094 -0.010 0.000 1.042 141 V CA 1.521 63.726 62.300 -0.158 0.000 1.006 141 V CB -1.101 30.476 31.823 -0.410 0.000 0.641 141 V HN 0.547 nan 8.190 nan 0.000 0.446 142 P HA -0.166 nan 4.420 nan 0.000 0.216 142 P C 1.622 178.929 177.300 0.010 0.000 1.150 142 P CA 1.420 64.511 63.100 -0.014 0.000 0.837 142 P CB 0.046 31.710 31.700 -0.060 0.000 0.786 143 E N -0.579 119.622 120.200 0.003 0.000 2.110 143 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 143 E C 1.372 177.983 176.600 0.019 0.000 0.988 143 E CA 1.058 57.462 56.400 0.007 0.000 0.804 143 E CB -0.251 29.449 29.700 0.000 0.000 0.745 143 E HN 0.121 nan 8.360 nan 0.000 0.458 144 D N -0.392 120.063 120.400 0.091 0.000 2.183 144 D HA -0.104 4.535 4.640 -0.001 0.000 0.203 144 D C 1.827 178.212 176.300 0.141 0.000 0.969 144 D CA 0.699 54.804 54.000 0.175 0.000 0.842 144 D CB 0.049 41.117 40.800 0.446 0.000 0.957 144 D HN 0.186 nan 8.370 nan 0.000 0.484 145 M N 0.152 119.836 119.600 0.139 0.000 2.175 145 M HA -0.068 4.412 4.480 -0.001 0.000 0.264 145 M C 2.048 178.400 176.300 0.087 0.000 1.063 145 M CA 1.060 56.434 55.300 0.122 0.000 1.119 145 M CB -1.296 31.377 32.600 0.122 0.000 1.377 145 M HN -0.079 nan 8.290 nan 0.000 0.415 146 T N 0.307 114.896 114.554 0.058 0.000 2.867 146 T HA -0.082 4.268 4.350 -0.001 0.000 0.268 146 T C 2.019 176.668 174.700 -0.085 0.000 1.057 146 T CA 1.021 63.157 62.100 0.061 0.000 1.136 146 T CB -0.099 68.808 68.868 0.065 0.000 0.874 146 T HN 0.377 nan 8.240 nan 0.000 0.466 147 R N 0.500 120.881 120.500 -0.199 0.000 2.073 147 R HA 0.035 4.374 4.340 -0.001 0.000 0.234 147 R C 2.466 178.529 176.300 -0.395 0.000 1.134 147 R CA 0.896 56.700 56.100 -0.493 0.000 0.952 147 R CB -0.576 29.097 30.300 -1.045 0.000 0.850 147 R HN 0.246 nan 8.270 nan 0.000 0.433 148 L N 1.452 122.604 121.223 -0.119 0.000 1.994 148 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 148 L C 2.226 179.159 176.870 0.105 0.000 1.071 148 L CA 2.699 57.630 54.840 0.153 0.000 0.745 148 L CB -1.259 40.926 42.059 0.209 0.000 0.892 148 L HN 0.356 nan 8.230 nan 0.000 0.431 149 T N -1.764 112.852 114.554 0.102 0.000 2.777 149 T HA -0.205 4.145 4.350 -0.001 0.000 0.266 149 T C 2.026 176.801 174.700 0.126 0.000 1.040 149 T CA 1.272 63.476 62.100 0.173 0.000 1.141 149 T CB -0.820 68.194 68.868 0.243 0.000 0.868 149 T HN 0.281 nan 8.240 nan 0.000 0.444 150 L N 1.996 123.163 121.223 -0.094 0.000 1.994 150 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 150 L C 1.971 178.706 176.870 -0.225 0.000 1.071 150 L CA 2.132 56.715 54.840 -0.428 0.000 0.745 150 L CB -0.957 40.559 42.059 -0.905 0.000 0.892 150 L HN 0.097 nan 8.230 nan 0.000 0.431 151 D N -1.113 119.223 120.400 -0.107 0.000 2.149 151 D HA -0.173 4.466 4.640 -0.001 0.000 0.198 151 D C 2.084 178.498 176.300 0.190 0.000 0.990 151 D CA 1.728 55.792 54.000 0.107 0.000 0.839 151 D CB -0.223 40.655 40.800 0.129 0.000 0.948 151 D HN 0.413 nan 8.370 nan 0.000 0.460 152 T N 0.317 114.980 114.554 0.181 0.000 2.737 152 T HA -0.116 4.234 4.350 -0.001 0.000 0.265 152 T C 1.921 176.813 174.700 0.321 0.000 1.038 152 T CA 0.475 62.718 62.100 0.238 0.000 1.144 152 T CB -0.213 68.798 68.868 0.238 0.000 0.866 152 T HN 0.072 nan 8.240 nan 0.000 0.434 153 I N 1.762 122.518 120.570 0.310 0.000 2.252 153 I HA 0.035 4.204 4.170 -0.001 0.000 0.245 153 I C 2.486 178.826 176.117 0.371 0.000 1.102 153 I CA 1.174 62.641 61.300 0.279 0.000 1.385 153 I CB -1.026 37.101 38.000 0.212 0.000 1.064 153 I HN 0.245 nan 8.210 nan 0.000 0.414 154 G N 0.471 109.521 108.800 0.417 0.000 2.476 154 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.218 154 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.218 154 G C 1.624 176.781 174.900 0.427 0.000 1.164 154 G CA 1.341 46.792 45.100 0.584 0.000 0.768 154 G HN 0.445 nan 8.290 nan 0.000 0.560 155 L N 1.148 122.552 121.223 0.301 0.000 2.084 155 L HA 0.123 4.462 4.340 -0.001 0.000 0.202 155 L C 3.091 180.066 176.870 0.176 0.000 1.074 155 L CA 2.444 57.407 54.840 0.206 0.000 0.757 155 L CB -0.512 41.643 42.059 0.161 0.000 0.918 155 L HN 0.301 nan 8.230 nan 0.000 0.444 156 S N -1.298 114.509 115.700 0.179 0.000 2.436 156 S HA 0.026 4.496 4.470 -0.001 0.000 0.228 156 S C 1.906 176.504 174.600 -0.003 0.000 1.014 156 S CA 0.569 58.864 58.200 0.159 0.000 0.950 156 S CB -0.851 62.474 63.200 0.210 0.000 0.784 156 S HN 0.456 nan 8.310 nan 0.000 0.504 157 G N -0.105 108.625 108.800 -0.118 0.000 2.459 157 G HA2 0.245 4.204 3.960 -0.001 0.000 0.213 157 G HA3 0.245 4.204 3.960 -0.001 0.000 0.213 157 G C 0.714 175.142 174.900 -0.787 0.000 1.155 157 G CA 0.206 44.966 45.100 -0.566 0.000 0.811 157 G HN 0.592 nan 8.290 nan 0.000 0.534 158 F N -0.834 119.146 119.950 0.049 0.000 2.838 158 F HA 0.349 4.876 4.527 -0.001 0.000 0.329 158 F C 0.857 176.703 175.800 0.077 0.000 1.116 158 F CA -0.924 57.104 58.000 0.046 0.000 1.155 158 F CB 0.145 39.159 39.000 0.023 0.000 1.106 158 F HN -0.018 nan 8.300 nan 0.000 0.538 159 N N 1.408 120.224 118.700 0.193 0.000 2.701 159 N HA -0.320 4.420 4.740 -0.001 0.000 0.250 159 N C -0.988 174.616 175.510 0.157 0.000 1.046 159 N CA 0.594 53.730 53.050 0.143 0.000 0.733 159 N CB -1.360 37.183 38.487 0.094 0.000 0.973 159 N HN 0.542 nan 8.380 nan 0.000 0.541 160 Y N 0.117 120.444 120.300 0.044 0.000 2.364 160 Y HA 0.519 5.068 4.550 -0.001 0.000 0.340 160 Y C -0.013 175.818 175.900 -0.115 0.000 0.975 160 Y CA -1.028 57.018 58.100 -0.090 0.000 1.089 160 Y CB 0.954 39.290 38.460 -0.208 0.000 1.192 160 Y HN -0.003 nan 8.280 nan 0.000 0.454 161 R N 6.196 126.252 120.500 -0.741 0.000 2.207 161 R HA 0.210 4.549 4.340 -0.001 0.000 0.334 161 R C -0.146 175.778 176.300 -0.626 0.000 1.013 161 R CA -0.316 55.523 56.100 -0.435 0.000 0.858 161 R CB 0.564 30.716 30.300 -0.246 0.000 1.094 161 R HN 0.807 nan 8.270 nan 0.000 0.457 162 F N 1.383 121.198 119.950 -0.226 0.000 2.456 162 F HA -0.051 4.476 4.527 -0.001 0.000 0.298 162 F C 0.807 176.610 175.800 0.004 0.000 1.104 162 F CA 0.366 58.276 58.000 -0.151 0.000 1.435 162 F CB 0.118 38.928 39.000 -0.316 0.000 1.078 162 F HN 0.542 nan 8.300 nan 0.000 0.546 163 N N 0.190 119.008 118.700 0.198 0.000 2.727 163 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 163 N C 1.079 176.801 175.510 0.353 0.000 1.048 163 N CA 0.834 54.065 53.050 0.300 0.000 0.714 163 N CB -1.426 37.131 38.487 0.116 0.000 0.959 163 N HN 0.153 nan 8.380 nan 0.000 0.544 164 S N -0.816 115.006 115.700 0.202 0.000 2.400 164 S HA -0.072 4.397 4.470 -0.001 0.000 0.232 164 S C 1.342 175.888 174.600 -0.090 0.000 1.025 164 S CA 0.860 59.073 58.200 0.022 0.000 0.993 164 S CB -0.145 62.910 63.200 -0.242 0.000 0.808 164 S HN 0.453 nan 8.310 nan 0.000 0.478 165 F N -0.251 119.753 119.950 0.090 0.000 2.771 165 F HA 0.120 4.647 4.527 -0.001 0.000 0.299 165 F C 0.933 176.610 175.800 -0.204 0.000 1.177 165 F CA 0.206 58.160 58.000 -0.076 0.000 1.450 165 F CB -0.441 38.455 39.000 -0.173 0.000 1.114 165 F HN 0.230 nan 8.300 nan 0.000 0.587 166 Y N -0.266 120.130 120.300 0.160 0.000 2.493 166 Y HA 0.286 4.836 4.550 -0.000 0.000 0.275 166 Y C 0.436 176.378 175.900 0.069 0.000 1.183 166 Y CA -0.257 57.906 58.100 0.104 0.000 1.258 166 Y CB -0.025 38.483 38.460 0.081 0.000 1.108 166 Y HN -0.223 nan 8.280 nan 0.000 0.521 167 R N -0.776 119.813 120.500 0.149 0.000 2.686 167 R HA 0.196 4.536 4.340 -0.001 0.000 0.283 167 R C -0.343 175.985 176.300 0.047 0.000 0.978 167 R CA -0.542 55.611 56.100 0.089 0.000 0.897 167 R CB 1.543 31.891 30.300 0.079 0.000 1.192 167 R HN -0.065 nan 8.270 nan 0.000 0.457 168 D N 0.175 120.595 120.400 0.033 0.000 2.346 168 D HA -0.000 4.639 4.640 -0.001 0.000 0.206 168 D C -0.129 176.176 176.300 0.008 0.000 1.001 168 D CA 1.101 55.112 54.000 0.019 0.000 0.871 168 D CB 0.774 41.582 40.800 0.013 0.000 0.943 168 D HN 0.221 nan 8.370 nan 0.000 0.518 169 Q N 0.222 120.026 119.800 0.007 0.000 2.306 169 Q HA 0.439 4.778 4.340 -0.001 0.000 0.269 169 Q C -2.361 173.642 176.000 0.004 0.000 1.053 169 Q CA -2.091 53.713 55.803 0.001 0.000 0.879 169 Q CB 0.898 29.633 28.738 -0.004 0.000 1.344 169 Q HN 0.021 nan 8.270 nan 0.000 0.464 170 P HA -0.033 nan 4.420 nan 0.000 0.268 170 P C -0.320 177.012 177.300 0.053 0.000 1.208 170 P CA 0.080 63.193 63.100 0.022 0.000 0.777 170 P CB 0.337 32.047 31.700 0.016 0.000 0.875 171 H N 4.622 123.690 119.070 -0.002 0.000 2.897 171 H HA 0.006 4.562 4.556 -0.001 0.000 0.347 171 H C -1.243 174.128 175.328 0.072 0.000 1.068 171 H CA -1.089 54.992 56.048 0.054 0.000 1.426 171 H CB 0.593 30.396 29.762 0.070 0.000 1.410 171 H HN 0.269 nan 8.280 nan 0.000 0.597 172 P HA -0.218 nan 4.420 nan 0.000 0.217 172 P C 1.575 178.977 177.300 0.170 0.000 1.148 172 P CA 1.112 64.217 63.100 0.008 0.000 0.828 172 P CB -0.189 31.468 31.700 -0.072 0.000 0.783 173 F N 0.811 120.964 119.950 0.339 0.000 2.134 173 F HA -0.195 4.331 4.527 -0.001 0.000 0.299 173 F C 2.109 177.939 175.800 0.051 0.000 1.097 173 F CA 1.371 59.492 58.000 0.201 0.000 1.264 173 F CB -0.573 38.571 39.000 0.241 0.000 1.001 173 F HN -0.279 nan 8.300 nan 0.000 0.479 174 I N 0.182 120.841 120.570 0.149 0.000 2.179 174 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 174 I C 2.380 178.457 176.117 -0.067 0.000 1.088 174 I CA 1.736 63.042 61.300 0.010 0.000 1.357 174 I CB -1.916 36.117 38.000 0.055 0.000 1.051 174 I HN 0.153 nan 8.210 nan 0.000 0.409 175 T N 0.648 115.182 114.554 -0.033 0.000 2.665 175 T HA -0.163 4.186 4.350 -0.001 0.000 0.268 175 T C 2.187 176.823 174.700 -0.107 0.000 1.035 175 T CA 2.021 64.089 62.100 -0.053 0.000 1.151 175 T CB -0.243 68.606 68.868 -0.033 0.000 0.862 175 T HN 0.247 nan 8.240 nan 0.000 0.438 176 S N 0.619 116.222 115.700 -0.163 0.000 2.383 176 S HA 0.062 4.531 4.470 -0.001 0.000 0.227 176 S C 2.003 176.403 174.600 -0.333 0.000 1.026 176 S CA 0.812 58.873 58.200 -0.231 0.000 0.981 176 S CB -0.327 62.720 63.200 -0.254 0.000 0.818 176 S HN 0.416 nan 8.310 nan 0.000 0.472 177 M N 1.201 120.535 119.600 -0.444 0.000 2.086 177 M HA -0.113 4.366 4.480 -0.001 0.000 0.261 177 M C 1.944 178.109 176.300 -0.225 0.000 1.067 177 M CA 1.611 56.639 55.300 -0.453 0.000 1.116 177 M CB -0.402 31.905 32.600 -0.488 0.000 1.348 177 M HN 0.170 nan 8.290 nan 0.000 0.407 178 V N 0.685 120.515 119.914 -0.139 0.000 2.287 178 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 178 V C 2.477 178.539 176.094 -0.054 0.000 1.053 178 V CA 1.972 64.231 62.300 -0.068 0.000 1.027 178 V CB -0.861 30.937 31.823 -0.042 0.000 0.646 178 V HN 0.505 nan 8.190 nan 0.000 0.447 179 R N -0.406 120.054 120.500 -0.067 0.000 2.091 179 R HA -0.160 4.179 4.340 -0.001 0.000 0.238 179 R C 2.381 178.691 176.300 0.016 0.000 1.136 179 R CA 1.573 57.656 56.100 -0.029 0.000 0.959 179 R CB -0.520 29.761 30.300 -0.032 0.000 0.856 179 R HN 0.557 nan 8.270 nan 0.000 0.437 180 A N 0.908 123.711 122.820 -0.027 0.000 1.898 180 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 180 A C 2.164 179.888 177.584 0.233 0.000 1.181 180 A CA 0.962 53.061 52.037 0.103 0.000 0.620 180 A CB -0.429 18.348 19.000 -0.372 0.000 0.819 180 A HN 0.188 nan 8.150 nan 0.000 0.442 181 L N -0.602 120.685 121.223 0.107 0.000 2.083 181 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 181 L C 2.161 179.079 176.870 0.080 0.000 1.083 181 L CA 1.401 56.330 54.840 0.150 0.000 0.752 181 L CB -0.623 41.483 42.059 0.078 0.000 0.899 181 L HN 0.334 nan 8.230 nan 0.000 0.433 182 D N -0.058 120.362 120.400 0.034 0.000 2.117 182 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 182 D C 2.050 178.330 176.300 -0.033 0.000 0.987 182 D CA 1.267 55.267 54.000 -0.001 0.000 0.829 182 D CB 0.111 40.905 40.800 -0.010 0.000 0.961 182 D HN 0.250 nan 8.370 nan 0.000 0.460 183 E N 0.859 121.035 120.200 -0.040 0.000 2.160 183 E HA -0.134 4.216 4.350 -0.001 0.000 0.195 183 E C 1.735 178.157 176.600 -0.298 0.000 0.991 183 E CA 1.412 57.703 56.400 -0.182 0.000 0.810 183 E CB -0.169 29.396 29.700 -0.226 0.000 0.742 183 E HN 0.187 nan 8.360 nan 0.000 0.466 184 A N 0.220 122.955 122.820 -0.141 0.000 1.898 184 A HA -0.030 4.289 4.320 -0.001 0.000 0.214 184 A C 2.309 179.882 177.584 -0.019 0.000 1.183 184 A CA 1.327 53.310 52.037 -0.090 0.000 0.622 184 A CB -0.557 18.534 19.000 0.150 0.000 0.824 184 A HN 0.414 nan 8.150 nan 0.000 0.444 185 M N -0.020 119.582 119.600 0.002 0.000 2.108 185 M HA -0.199 4.280 4.480 -0.001 0.000 0.261 185 M C 1.633 177.910 176.300 -0.038 0.000 1.066 185 M CA 1.798 57.103 55.300 0.008 0.000 1.107 185 M CB -0.331 32.271 32.600 0.004 0.000 1.356 185 M HN 0.413 nan 8.290 nan 0.000 0.406 186 N N 0.417 119.060 118.700 -0.095 0.000 2.166 186 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 186 N C 1.515 176.896 175.510 -0.216 0.000 1.019 186 N CA 1.248 54.219 53.050 -0.131 0.000 0.856 186 N CB -0.382 38.026 38.487 -0.132 0.000 0.993 186 N HN 0.395 nan 8.380 nan 0.000 0.426 187 K N 0.837 121.022 120.400 -0.359 0.000 2.152 187 K HA -0.028 4.292 4.320 -0.001 0.000 0.206 187 K C 1.970 178.432 176.600 -0.231 0.000 1.048 187 K CA 0.574 56.531 56.287 -0.550 0.000 0.933 187 K CB -0.139 31.617 32.500 -1.240 0.000 0.721 187 K HN 0.150 nan 8.250 nan 0.000 0.447 188 L N 0.109 121.338 121.223 0.011 0.000 2.127 188 L HA -0.229 4.110 4.340 -0.001 0.000 0.211 188 L C 2.058 178.964 176.870 0.060 0.000 1.089 188 L CA 1.133 56.067 54.840 0.158 0.000 0.757 188 L CB -0.173 41.966 42.059 0.134 0.000 0.899 188 L HN 0.163 nan 8.230 nan 0.000 0.434 189 Q N -0.323 119.466 119.800 -0.018 0.000 2.282 189 Q HA 0.116 4.456 4.340 -0.001 0.000 0.206 189 Q C -0.112 175.857 176.000 -0.052 0.000 0.878 189 Q CA 0.157 55.947 55.803 -0.022 0.000 0.944 189 Q CB 0.442 29.164 28.738 -0.027 0.000 1.100 189 Q HN 0.255 nan 8.270 nan 0.000 0.509 190 R N 0.339 120.772 120.500 -0.113 0.000 2.230 190 R HA 0.548 4.887 4.340 -0.001 0.000 0.337 190 R C -0.561 175.694 176.300 -0.074 0.000 1.063 190 R CA -0.307 55.697 56.100 -0.160 0.000 0.935 190 R CB 0.975 31.005 30.300 -0.450 0.000 1.121 190 R HN 0.058 nan 8.270 nan 0.000 0.486 191 A N 3.285 126.098 122.820 -0.012 0.000 2.425 191 A HA 0.119 4.438 4.320 -0.001 0.000 0.249 191 A C 0.219 177.823 177.584 0.034 0.000 1.084 191 A CA -0.421 51.625 52.037 0.015 0.000 0.781 191 A CB 0.181 19.198 19.000 0.029 0.000 1.019 191 A HN 0.957 nan 8.150 nan 0.000 0.490 192 N N 0.788 119.510 118.700 0.037 0.000 2.708 192 N HA -0.122 4.617 4.740 -0.001 0.000 0.255 192 N C -2.141 173.411 175.510 0.070 0.000 1.046 192 N CA 0.863 53.953 53.050 0.066 0.000 0.715 192 N CB -1.156 37.389 38.487 0.098 0.000 0.895 192 N HN 0.611 nan 8.380 nan 0.000 0.545 193 P HA -0.006 nan 4.420 nan 0.000 0.242 193 P C 0.435 177.731 177.300 -0.006 0.000 1.197 193 P CA 0.761 63.759 63.100 -0.170 0.000 0.765 193 P CB 0.337 31.907 31.700 -0.216 0.000 0.936 194 D N -0.571 119.865 120.400 0.060 0.000 2.350 194 D HA -0.015 4.624 4.640 -0.001 0.000 0.213 194 D C 0.537 176.906 176.300 0.114 0.000 1.031 194 D CA 0.290 54.336 54.000 0.077 0.000 0.861 194 D CB -0.461 40.370 40.800 0.051 0.000 0.926 194 D HN 0.149 nan 8.370 nan 0.000 0.520 195 D N 0.821 121.329 120.400 0.179 0.000 2.493 195 D HA -0.052 4.588 4.640 -0.001 0.000 0.240 195 D C -1.611 174.739 176.300 0.083 0.000 1.142 195 D CA -1.184 52.892 54.000 0.127 0.000 0.872 195 D CB 1.803 42.680 40.800 0.128 0.000 1.173 195 D HN -0.025 nan 8.370 nan 0.000 0.467 196 P HA -0.064 nan 4.420 nan 0.000 0.225 196 P C 0.680 177.937 177.300 -0.071 0.000 1.148 196 P CA 0.720 63.815 63.100 -0.008 0.000 0.779 196 P CB 0.145 31.837 31.700 -0.013 0.000 0.780 197 A N -2.072 120.633 122.820 -0.191 0.000 2.248 197 A HA -0.134 4.186 4.320 -0.001 0.000 0.210 197 A C 0.908 178.239 177.584 -0.422 0.000 1.174 197 A CA 1.091 52.928 52.037 -0.332 0.000 0.750 197 A CB -1.295 17.431 19.000 -0.458 0.000 0.780 197 A HN 0.205 nan 8.150 nan 0.000 0.478 198 Y N -1.137 119.146 120.300 -0.029 0.000 2.481 198 Y HA 0.121 4.670 4.550 -0.001 0.000 0.247 198 Y C 1.136 177.018 175.900 -0.032 0.000 1.151 198 Y CA -0.644 57.431 58.100 -0.042 0.000 1.238 198 Y CB 0.208 38.632 38.460 -0.060 0.000 1.179 198 Y HN 0.234 nan 8.280 nan 0.000 0.524 199 D N 0.675 121.128 120.400 0.089 0.000 2.218 199 D HA -0.200 4.439 4.640 -0.001 0.000 0.204 199 D C 1.941 178.273 176.300 0.053 0.000 0.976 199 D CA 1.323 55.361 54.000 0.063 0.000 0.853 199 D CB 0.042 40.864 40.800 0.037 0.000 0.939 199 D HN 0.542 nan 8.370 nan 0.000 0.481 200 E N 0.663 120.887 120.200 0.039 0.000 2.072 200 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 200 E C 1.484 178.115 176.600 0.051 0.000 0.982 200 E CA 0.996 57.416 56.400 0.033 0.000 0.803 200 E CB 0.040 29.747 29.700 0.012 0.000 0.755 200 E HN 0.150 nan 8.360 nan 0.000 0.453 201 N N 0.557 119.297 118.700 0.068 0.000 2.104 201 N HA -0.161 4.578 4.740 -0.001 0.000 0.190 201 N C 1.536 177.091 175.510 0.075 0.000 1.024 201 N CA 1.712 54.801 53.050 0.064 0.000 0.853 201 N CB -0.038 38.493 38.487 0.073 0.000 1.008 201 N HN 0.139 nan 8.380 nan 0.000 0.424 202 K N 0.404 120.851 120.400 0.078 0.000 2.057 202 K HA 0.026 4.345 4.320 -0.001 0.000 0.206 202 K C 2.044 178.736 176.600 0.152 0.000 1.050 202 K CA 0.825 57.183 56.287 0.118 0.000 0.935 202 K CB -0.046 32.506 32.500 0.087 0.000 0.715 202 K HN 0.135 nan 8.250 nan 0.000 0.439 203 R N 0.740 121.297 120.500 0.096 0.000 2.081 203 R HA -0.186 4.154 4.340 -0.001 0.000 0.235 203 R C 2.470 178.812 176.300 0.070 0.000 1.131 203 R CA 1.624 57.767 56.100 0.072 0.000 0.960 203 R CB -0.134 30.194 30.300 0.046 0.000 0.856 203 R HN 0.151 nan 8.270 nan 0.000 0.436 204 Q N 0.134 119.981 119.800 0.079 0.000 2.119 204 Q HA -0.163 4.177 4.340 -0.001 0.000 0.201 204 Q C 1.675 177.735 176.000 0.099 0.000 0.972 204 Q CA 1.455 57.297 55.803 0.065 0.000 0.847 204 Q CB -0.327 28.444 28.738 0.055 0.000 0.903 204 Q HN 0.236 nan 8.270 nan 0.000 0.433 205 F N 0.679 120.612 119.950 -0.028 0.000 2.095 205 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 205 F C 2.029 177.815 175.800 -0.024 0.000 1.104 205 F CA 1.784 59.765 58.000 -0.032 0.000 1.232 205 F CB -0.349 38.642 39.000 -0.014 0.000 0.987 205 F HN 0.154 nan 8.300 nan 0.000 0.475 206 Q N 0.487 120.292 119.800 0.007 0.000 2.084 206 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 206 Q C 2.213 178.152 176.000 -0.103 0.000 0.978 206 Q CA 1.865 57.617 55.803 -0.084 0.000 0.844 206 Q CB -0.618 28.126 28.738 0.010 0.000 0.898 206 Q HN 0.590 nan 8.270 nan 0.000 0.426 207 E N 0.451 120.616 120.200 -0.059 0.000 2.077 207 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 207 E C 1.588 178.124 176.600 -0.108 0.000 0.989 207 E CA 1.076 57.439 56.400 -0.062 0.000 0.800 207 E CB 0.059 29.739 29.700 -0.032 0.000 0.746 207 E HN 0.314 nan 8.360 nan 0.000 0.452 208 D N 0.473 120.785 120.400 -0.146 0.000 2.144 208 D HA -0.118 4.521 4.640 -0.001 0.000 0.199 208 D C 1.962 178.075 176.300 -0.311 0.000 0.984 208 D CA 0.759 54.631 54.000 -0.213 0.000 0.834 208 D CB -0.110 40.565 40.800 -0.209 0.000 0.955 208 D HN 0.190 nan 8.370 nan 0.000 0.465 209 I N 0.782 121.128 120.570 -0.374 0.000 2.179 209 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 209 I C 2.445 178.458 176.117 -0.174 0.000 1.088 209 I CA 1.057 62.151 61.300 -0.344 0.000 1.357 209 I CB -0.144 37.645 38.000 -0.352 0.000 1.051 209 I HN -0.071 nan 8.210 nan 0.000 0.409 210 K N 0.814 121.138 120.400 -0.128 0.000 2.103 210 K HA -0.185 4.135 4.320 -0.001 0.000 0.207 210 K C 2.038 178.607 176.600 -0.050 0.000 1.048 210 K CA 1.451 57.697 56.287 -0.068 0.000 0.930 210 K CB -0.033 32.436 32.500 -0.051 0.000 0.716 210 K HN 0.098 nan 8.250 nan 0.000 0.444 211 V N 1.317 121.190 119.914 -0.068 0.000 2.287 211 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 211 V C 2.349 178.462 176.094 0.032 0.000 1.053 211 V CA 2.074 64.358 62.300 -0.027 0.000 1.027 211 V CB -0.365 31.427 31.823 -0.052 0.000 0.646 211 V HN 0.416 nan 8.190 nan 0.000 0.447 212 M N -0.275 119.308 119.600 -0.028 0.000 2.086 212 M HA -0.167 4.312 4.480 -0.001 0.000 0.261 212 M C 2.188 178.570 176.300 0.137 0.000 1.067 212 M CA 1.780 57.145 55.300 0.108 0.000 1.116 212 M CB -0.679 31.868 32.600 -0.088 0.000 1.348 212 M HN 0.372 nan 8.290 nan 0.000 0.407 213 N N 0.591 119.315 118.700 0.040 0.000 2.166 213 N HA -0.150 4.590 4.740 -0.001 0.000 0.186 213 N C 1.146 176.653 175.510 -0.005 0.000 1.019 213 N CA 1.337 54.397 53.050 0.017 0.000 0.856 213 N CB -0.423 38.062 38.487 -0.003 0.000 0.993 213 N HN 0.334 nan 8.380 nan 0.000 0.426 214 D N 0.968 121.370 120.400 0.002 0.000 2.144 214 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 214 D C 2.083 178.367 176.300 -0.027 0.000 0.984 214 D CA 0.321 54.315 54.000 -0.009 0.000 0.834 214 D CB -0.230 40.572 40.800 0.004 0.000 0.955 214 D HN 0.200 nan 8.370 nan 0.000 0.465 215 L N 0.330 121.557 121.223 0.006 0.000 2.027 215 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 215 L C 2.228 178.946 176.870 -0.254 0.000 1.074 215 L CA 1.011 55.802 54.840 -0.081 0.000 0.745 215 L CB -0.225 41.876 42.059 0.069 0.000 0.898 215 L HN -0.161 nan 8.230 nan 0.000 0.433 216 V N 0.388 120.203 119.914 -0.165 0.000 2.317 216 V HA -0.374 3.745 4.120 -0.001 0.000 0.251 216 V C 2.269 178.252 176.094 -0.185 0.000 1.065 216 V CA 2.159 64.337 62.300 -0.203 0.000 1.049 216 V CB -0.865 30.900 31.823 -0.096 0.000 0.651 216 V HN 0.535 nan 8.190 nan 0.000 0.450 217 D N -0.100 120.226 120.400 -0.124 0.000 2.133 217 D HA -0.184 4.456 4.640 -0.001 0.000 0.195 217 D C 2.247 178.478 176.300 -0.115 0.000 0.997 217 D CA 1.405 55.347 54.000 -0.096 0.000 0.840 217 D CB -0.257 40.506 40.800 -0.061 0.000 0.947 217 D HN 0.469 nan 8.370 nan 0.000 0.452 218 K N 0.119 120.425 120.400 -0.156 0.000 2.097 218 K HA -0.027 4.292 4.320 -0.001 0.000 0.205 218 K C 2.323 178.796 176.600 -0.211 0.000 1.050 218 K CA 0.515 56.715 56.287 -0.145 0.000 0.938 218 K CB 0.001 32.429 32.500 -0.120 0.000 0.718 218 K HN 0.177 nan 8.250 nan 0.000 0.442 219 I N 0.952 121.272 120.570 -0.416 0.000 2.226 219 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 219 I C 2.206 178.250 176.117 -0.122 0.000 1.100 219 I CA 1.319 62.392 61.300 -0.378 0.000 1.374 219 I CB -0.206 37.477 38.000 -0.529 0.000 1.057 219 I HN 0.122 nan 8.210 nan 0.000 0.413 220 I N 0.577 121.081 120.570 -0.110 0.000 2.252 220 I HA -0.243 3.926 4.170 -0.001 0.000 0.245 220 I C 2.716 178.818 176.117 -0.025 0.000 1.102 220 I CA 1.274 62.547 61.300 -0.043 0.000 1.385 220 I CB -0.381 37.592 38.000 -0.046 0.000 1.064 220 I HN 0.162 nan 8.210 nan 0.000 0.414 221 A N 0.178 122.978 122.820 -0.034 0.000 1.968 221 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 221 A C 1.875 179.461 177.584 0.003 0.000 1.169 221 A CA 1.620 53.648 52.037 -0.015 0.000 0.638 221 A CB -0.420 18.569 19.000 -0.018 0.000 0.812 221 A HN 0.299 nan 8.150 nan 0.000 0.446 222 D N -0.657 119.753 120.400 0.017 0.000 2.178 222 D HA -0.104 4.535 4.640 -0.001 0.000 0.202 222 D C 2.085 178.408 176.300 0.039 0.000 0.974 222 D CA 1.102 55.129 54.000 0.045 0.000 0.841 222 D CB -0.188 40.678 40.800 0.109 0.000 0.953 222 D HN 0.316 nan 8.370 nan 0.000 0.478 223 R N 1.494 122.016 120.500 0.037 0.000 2.066 223 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 223 R C 1.917 178.227 176.300 0.016 0.000 1.131 223 R CA 1.445 57.566 56.100 0.034 0.000 0.955 223 R CB -0.356 29.970 30.300 0.043 0.000 0.851 223 R HN 0.025 nan 8.270 nan 0.000 0.432 224 K N -0.579 119.827 120.400 0.009 0.000 2.063 224 K HA -0.067 4.252 4.320 -0.001 0.000 0.208 224 K C 1.698 178.299 176.600 0.002 0.000 1.048 224 K CA 1.573 57.862 56.287 0.002 0.000 0.928 224 K CB -0.260 32.239 32.500 -0.001 0.000 0.713 224 K HN 0.266 nan 8.250 nan 0.000 0.442 225 A N 0.376 123.198 122.820 0.004 0.000 2.168 225 A HA -0.013 4.306 4.320 -0.001 0.000 0.215 225 A C 1.043 178.629 177.584 0.002 0.000 1.152 225 A CA 0.552 52.590 52.037 0.002 0.000 0.716 225 A CB -0.240 18.762 19.000 0.003 0.000 0.794 225 A HN 0.288 nan 8.150 nan 0.000 0.465 226 S N -0.655 115.048 115.700 0.006 0.000 2.549 226 S HA 0.371 4.841 4.470 -0.001 0.000 0.283 226 S C 1.448 176.048 174.600 -0.000 0.000 1.320 226 S CA 0.049 58.252 58.200 0.005 0.000 1.058 226 S CB 1.107 64.314 63.200 0.011 0.000 0.882 226 S HN 0.453 nan 8.310 nan 0.000 0.498 227 G N 3.544 112.343 108.800 -0.002 0.000 2.408 227 G HA2 0.051 4.010 3.960 -0.001 0.000 0.215 227 G HA3 0.051 4.010 3.960 -0.001 0.000 0.215 227 G C 0.460 175.356 174.900 -0.005 0.000 1.156 227 G CA 0.257 45.354 45.100 -0.005 0.000 0.793 227 G HN 0.607 nan 8.290 nan 0.000 0.535 228 E N -0.115 120.083 120.200 -0.004 0.000 2.322 228 E HA 0.543 4.892 4.350 -0.001 0.000 0.257 228 E C -0.390 176.206 176.600 -0.006 0.000 1.155 228 E CA -0.287 56.110 56.400 -0.005 0.000 0.936 228 E CB 0.733 30.432 29.700 -0.001 0.000 1.130 228 E HN 0.127 nan 8.360 nan 0.000 0.465 229 Q N -0.469 119.325 119.800 -0.011 0.000 2.293 229 Q HA 0.420 4.760 4.340 -0.001 0.000 0.261 229 Q C 0.167 176.160 176.000 -0.011 0.000 0.960 229 Q CA -0.186 55.607 55.803 -0.016 0.000 0.882 229 Q CB 1.877 30.598 28.738 -0.028 0.000 1.275 229 Q HN 0.364 nan 8.270 nan 0.000 0.445 230 S N 1.053 116.748 115.700 -0.008 0.000 2.470 230 S HA -0.035 4.435 4.470 -0.001 0.000 0.222 230 S C -0.039 174.559 174.600 -0.002 0.000 1.024 230 S CA 0.262 58.465 58.200 0.005 0.000 0.931 230 S CB 0.033 63.245 63.200 0.019 0.000 0.791 230 S HN 0.951 nan 8.310 nan 0.000 0.513 231 D N 2.359 122.745 120.400 -0.023 0.000 2.803 231 D HA -0.141 4.498 4.640 -0.001 0.000 0.233 231 D C -0.719 175.596 176.300 0.024 0.000 1.182 231 D CA 0.903 54.886 54.000 -0.028 0.000 0.726 231 D CB -0.952 39.824 40.800 -0.041 0.000 0.987 231 D HN 0.567 nan 8.370 nan 0.000 0.412 232 D N -1.181 119.246 120.400 0.046 0.000 2.727 232 D HA 0.283 4.923 4.640 -0.001 0.000 0.264 232 D C 1.187 177.518 176.300 0.052 0.000 1.101 232 D CA -0.791 53.252 54.000 0.072 0.000 1.122 232 D CB -0.392 40.438 40.800 0.049 0.000 1.390 232 D HN 0.065 nan 8.370 nan 0.000 0.606 233 L N -0.271 120.862 121.223 -0.151 0.000 2.043 233 L HA -0.061 4.278 4.340 -0.001 0.000 0.212 233 L C 1.950 178.642 176.870 -0.297 0.000 1.075 233 L CA 1.625 56.246 54.840 -0.366 0.000 0.752 233 L CB -1.001 40.620 42.059 -0.730 0.000 0.891 233 L HN 0.545 nan 8.230 nan 0.000 0.432 234 L N -0.966 120.046 121.223 -0.351 0.000 2.083 234 L HA -0.164 4.175 4.340 -0.001 0.000 0.209 234 L C 2.322 179.180 176.870 -0.020 0.000 1.083 234 L CA 2.382 57.159 54.840 -0.104 0.000 0.752 234 L CB -1.144 40.944 42.059 0.050 0.000 0.899 234 L HN 0.373 nan 8.230 nan 0.000 0.433 235 T N -1.189 113.347 114.554 -0.031 0.000 2.635 235 T HA -0.256 4.094 4.350 -0.001 0.000 0.267 235 T C 1.724 176.357 174.700 -0.111 0.000 1.040 235 T CA 2.113 64.168 62.100 -0.074 0.000 1.156 235 T CB -0.568 68.224 68.868 -0.126 0.000 0.863 235 T HN 0.505 nan 8.240 nan 0.000 0.430 236 H N 0.494 119.507 119.070 -0.095 0.000 2.387 236 H HA 0.119 4.675 4.556 -0.001 0.000 0.299 236 H C 2.335 177.627 175.328 -0.061 0.000 1.090 236 H CA 1.270 57.266 56.048 -0.085 0.000 1.332 236 H CB -0.366 29.327 29.762 -0.115 0.000 1.386 236 H HN 0.257 nan 8.280 nan 0.000 0.516 237 M N -0.296 119.339 119.600 0.057 0.000 2.117 237 M HA -0.159 4.320 4.480 -0.001 0.000 0.262 237 M C 1.853 178.177 176.300 0.040 0.000 1.065 237 M CA 1.522 56.852 55.300 0.050 0.000 1.114 237 M CB -0.179 32.462 32.600 0.068 0.000 1.361 237 M HN 0.227 nan 8.290 nan 0.000 0.408 238 L N -0.527 120.707 121.223 0.020 0.000 2.131 238 L HA -0.148 4.191 4.340 -0.001 0.000 0.206 238 L C 1.956 178.819 176.870 -0.011 0.000 1.087 238 L CA 0.785 55.630 54.840 0.008 0.000 0.767 238 L CB -0.465 41.596 42.059 0.003 0.000 0.917 238 L HN 0.366 nan 8.230 nan 0.000 0.441 239 N N -0.492 118.185 118.700 -0.039 0.000 2.510 239 N HA 0.055 4.794 4.740 -0.001 0.000 0.186 239 N C 1.056 176.536 175.510 -0.049 0.000 1.051 239 N CA 0.534 53.551 53.050 -0.056 0.000 0.877 239 N CB -0.070 38.359 38.487 -0.097 0.000 1.183 239 N HN 0.141 nan 8.380 nan 0.000 0.443 240 G N 1.626 110.398 108.800 -0.047 0.000 2.287 240 G HA2 0.009 3.968 3.960 -0.001 0.000 0.235 240 G HA3 0.009 3.968 3.960 -0.001 0.000 0.235 240 G C -0.210 174.692 174.900 0.004 0.000 1.258 240 G CA 0.156 45.249 45.100 -0.012 0.000 0.884 240 G HN 0.117 nan 8.290 nan 0.000 0.518 241 K N 1.228 121.629 120.400 0.002 0.000 2.185 241 K HA 0.179 4.498 4.320 -0.001 0.000 0.269 241 K C -0.553 176.053 176.600 0.009 0.000 0.987 241 K CA -0.703 55.587 56.287 0.005 0.000 0.865 241 K CB 1.630 34.130 32.500 0.000 0.000 1.090 241 K HN 0.597 nan 8.250 nan 0.000 0.450 242 D N 4.077 124.483 120.400 0.011 0.000 2.371 242 D HA 0.071 4.711 4.640 -0.001 0.000 0.256 242 D C -1.823 174.483 176.300 0.011 0.000 1.193 242 D CA -2.048 51.957 54.000 0.008 0.000 0.881 242 D CB 1.293 42.100 40.800 0.010 0.000 1.143 242 D HN 0.145 nan 8.370 nan 0.000 0.473 243 P HA -0.144 nan 4.420 nan 0.000 0.216 243 P C 0.978 178.290 177.300 0.019 0.000 1.150 243 P CA 0.988 64.096 63.100 0.013 0.000 0.837 243 P CB 0.276 31.984 31.700 0.013 0.000 0.786 244 E N -0.750 119.464 120.200 0.024 0.000 2.006 244 E HA -0.128 4.222 4.350 -0.001 0.000 0.192 244 E C 1.961 178.580 176.600 0.031 0.000 0.993 244 E CA 2.210 58.629 56.400 0.032 0.000 0.808 244 E CB -0.977 28.747 29.700 0.041 0.000 0.764 244 E HN 0.358 nan 8.360 nan 0.000 0.449 245 T N -2.963 111.610 114.554 0.031 0.000 3.067 245 T HA 0.192 4.542 4.350 -0.001 0.000 0.257 245 T C 1.594 176.309 174.700 0.025 0.000 1.105 245 T CA 0.939 63.058 62.100 0.031 0.000 1.104 245 T CB 0.363 69.252 68.868 0.036 0.000 0.925 245 T HN 0.352 nan 8.240 nan 0.000 0.498 246 G N 1.109 109.921 108.800 0.020 0.000 2.212 246 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.266 246 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.266 246 G C -0.041 174.868 174.900 0.015 0.000 0.978 246 G CA 0.279 45.389 45.100 0.016 0.000 0.632 246 G HN 0.607 nan 8.290 nan 0.000 0.537 247 E N 1.239 121.451 120.200 0.019 0.000 2.283 247 E HA 0.507 4.857 4.350 -0.001 0.000 0.267 247 E C -2.210 174.402 176.600 0.020 0.000 1.045 247 E CA -1.627 54.785 56.400 0.020 0.000 0.884 247 E CB 1.897 31.613 29.700 0.027 0.000 1.106 247 E HN 0.295 nan 8.360 nan 0.000 0.408 248 P HA 0.304 nan 4.420 nan 0.000 0.283 248 P C -0.188 177.132 177.300 0.033 0.000 1.278 248 P CA -0.637 62.476 63.100 0.021 0.000 0.834 248 P CB 0.876 32.584 31.700 0.013 0.000 1.150 249 L N 1.246 122.494 121.223 0.041 0.000 2.453 249 L HA 0.116 4.455 4.340 -0.001 0.000 0.272 249 L C 1.336 178.236 176.870 0.050 0.000 1.182 249 L CA -0.159 54.715 54.840 0.057 0.000 0.858 249 L CB -0.351 41.753 42.059 0.074 0.000 1.120 249 L HN 0.487 nan 8.230 nan 0.000 0.474 250 D N 1.002 121.435 120.400 0.055 0.000 2.384 250 D HA -0.026 4.614 4.640 -0.001 0.000 0.244 250 D C 0.379 176.701 176.300 0.037 0.000 1.251 250 D CA -0.423 53.603 54.000 0.043 0.000 0.961 250 D CB 0.662 41.489 40.800 0.045 0.000 1.116 250 D HN 0.390 nan 8.370 nan 0.000 0.484 251 D N -0.559 119.852 120.400 0.018 0.000 2.117 251 D HA -0.159 4.481 4.640 -0.001 0.000 0.198 251 D C 1.580 177.863 176.300 -0.028 0.000 0.982 251 D CA 1.010 55.010 54.000 -0.001 0.000 0.828 251 D CB -0.134 40.660 40.800 -0.011 0.000 0.967 251 D HN 0.701 nan 8.370 nan 0.000 0.464 252 E N 0.691 120.869 120.200 -0.036 0.000 2.038 252 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 252 E C 1.939 178.485 176.600 -0.090 0.000 1.000 252 E CA 0.861 57.196 56.400 -0.109 0.000 0.803 252 E CB -0.021 29.654 29.700 -0.041 0.000 0.750 252 E HN 0.149 nan 8.360 nan 0.000 0.448 253 N N 0.410 119.158 118.700 0.080 0.000 2.166 253 N HA -0.156 4.584 4.740 -0.001 0.000 0.186 253 N C 2.102 177.714 175.510 0.170 0.000 1.019 253 N CA 0.937 54.108 53.050 0.201 0.000 0.856 253 N CB -0.083 38.521 38.487 0.195 0.000 0.993 253 N HN 0.213 nan 8.380 nan 0.000 0.426 254 I N 1.240 121.868 120.570 0.097 0.000 2.163 254 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 254 I C 2.585 178.757 176.117 0.092 0.000 1.085 254 I CA 1.105 62.466 61.300 0.102 0.000 1.347 254 I CB -0.216 37.823 38.000 0.065 0.000 1.044 254 I HN 0.127 nan 8.210 nan 0.000 0.408 255 R N -0.284 120.212 120.500 -0.006 0.000 2.096 255 R HA -0.229 4.111 4.340 -0.001 0.000 0.240 255 R C 2.399 178.725 176.300 0.043 0.000 1.139 255 R CA 1.848 57.914 56.100 -0.056 0.000 0.952 255 R CB -0.635 29.547 30.300 -0.196 0.000 0.854 255 R HN 0.300 nan 8.270 nan 0.000 0.436 256 Y N 1.186 121.554 120.300 0.114 0.000 2.224 256 Y HA -0.202 4.347 4.550 -0.001 0.000 0.289 256 Y C 2.627 178.636 175.900 0.181 0.000 1.146 256 Y CA 1.003 59.184 58.100 0.135 0.000 1.182 256 Y CB -0.424 38.107 38.460 0.119 0.000 0.983 256 Y HN 0.062 nan 8.280 nan 0.000 0.524 257 Q N -0.146 119.874 119.800 0.367 0.000 2.119 257 Q HA -0.103 4.237 4.340 -0.001 0.000 0.201 257 Q C 2.493 178.788 176.000 0.491 0.000 0.972 257 Q CA 1.243 57.306 55.803 0.433 0.000 0.847 257 Q CB -0.560 28.422 28.738 0.407 0.000 0.903 257 Q HN 0.536 nan 8.270 nan 0.000 0.433 258 I N 0.521 121.278 120.570 0.313 0.000 2.142 258 I HA -0.295 3.875 4.170 -0.001 0.000 0.240 258 I C 2.330 178.517 176.117 0.116 0.000 1.078 258 I CA 1.045 62.425 61.300 0.133 0.000 1.343 258 I CB -0.416 37.517 38.000 -0.113 0.000 1.046 258 I HN 0.090 nan 8.210 nan 0.000 0.405 259 I N 0.451 121.127 120.570 0.178 0.000 2.113 259 I HA -0.365 3.804 4.170 -0.001 0.000 0.242 259 I C 2.603 178.893 176.117 0.288 0.000 1.064 259 I CA 1.940 63.401 61.300 0.270 0.000 1.320 259 I CB -0.662 37.540 38.000 0.338 0.000 1.028 259 I HN 0.288 nan 8.210 nan 0.000 0.406 260 T N 0.487 115.202 114.554 0.269 0.000 2.684 260 T HA -0.204 4.146 4.350 -0.001 0.000 0.267 260 T C 1.627 176.383 174.700 0.093 0.000 1.036 260 T CA 1.716 63.909 62.100 0.154 0.000 1.148 260 T CB -0.428 68.516 68.868 0.127 0.000 0.863 260 T HN 0.172 nan 8.240 nan 0.000 0.436 261 F N 0.577 120.654 119.950 0.212 0.000 2.367 261 F HA 0.210 4.736 4.527 -0.001 0.000 0.298 261 F C 2.033 177.956 175.800 0.205 0.000 1.094 261 F CA 0.431 58.569 58.000 0.231 0.000 1.409 261 F CB -0.369 38.850 39.000 0.365 0.000 1.064 261 F HN 0.073 nan 8.300 nan 0.000 0.528 262 L N -0.608 120.795 121.223 0.299 0.000 2.093 262 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 262 L C 2.137 179.214 176.870 0.345 0.000 1.085 262 L CA 1.219 56.167 54.840 0.180 0.000 0.755 262 L CB -0.478 41.530 42.059 -0.085 0.000 0.904 262 L HN 0.140 nan 8.230 nan 0.000 0.435 263 I N -0.418 120.344 120.570 0.320 0.000 2.272 263 I HA -0.152 4.017 4.170 -0.001 0.000 0.235 263 I C 2.783 178.922 176.117 0.037 0.000 1.071 263 I CA 0.976 62.424 61.300 0.247 0.000 1.374 263 I CB -0.545 37.557 38.000 0.170 0.000 1.121 263 I HN 0.090 nan 8.210 nan 0.000 0.420 264 A N 1.088 123.879 122.820 -0.048 0.000 1.978 264 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 264 A C 2.294 179.879 177.584 0.003 0.000 1.170 264 A CA 1.956 53.935 52.037 -0.097 0.000 0.636 264 A CB -1.512 17.419 19.000 -0.116 0.000 0.810 264 A HN 0.538 nan 8.150 nan 0.000 0.448 265 G N -1.695 107.158 108.800 0.087 0.000 2.625 265 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.214 265 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.214 265 G C 1.150 176.173 174.900 0.204 0.000 1.132 265 G CA 1.416 46.603 45.100 0.145 0.000 0.782 265 G HN 0.919 nan 8.290 nan 0.000 0.538 266 H N -2.916 116.209 119.070 0.091 0.000 3.051 266 H HA 0.205 4.760 4.556 -0.001 0.000 0.218 266 H C 1.486 176.861 175.328 0.079 0.000 0.898 266 H CA 0.357 56.460 56.048 0.092 0.000 0.989 266 H CB -0.099 29.687 29.762 0.040 0.000 1.343 266 H HN 0.164 nan 8.280 nan 0.000 0.499 267 E N 1.617 121.296 120.200 -0.868 0.000 2.023 267 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 267 E C 2.104 178.598 176.600 -0.176 0.000 1.003 267 E CA 2.774 58.807 56.400 -0.611 0.000 0.809 267 E CB -0.095 29.346 29.700 -0.431 0.000 0.755 267 E HN 0.704 nan 8.360 nan 0.000 0.449 268 T N -1.656 112.850 114.554 -0.081 0.000 2.904 268 T HA -0.062 4.288 4.350 -0.001 0.000 0.267 268 T C 2.017 176.777 174.700 0.100 0.000 1.059 268 T CA 1.588 63.707 62.100 0.032 0.000 1.137 268 T CB -0.525 68.374 68.868 0.051 0.000 0.879 268 T HN -0.024 nan 8.240 nan 0.000 0.467 269 T N 1.899 116.525 114.554 0.119 0.000 2.777 269 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 269 T C 2.283 177.079 174.700 0.159 0.000 1.040 269 T CA 1.395 63.603 62.100 0.180 0.000 1.141 269 T CB -0.645 68.360 68.868 0.229 0.000 0.868 269 T HN 0.507 nan 8.240 nan 0.000 0.444 270 S N 0.777 116.551 115.700 0.124 0.000 2.353 270 S HA -0.103 4.366 4.470 -0.001 0.000 0.222 270 S C 2.426 177.079 174.600 0.088 0.000 1.035 270 S CA 1.855 60.121 58.200 0.110 0.000 1.025 270 S CB -1.008 62.252 63.200 0.101 0.000 0.902 270 S HN 0.593 nan 8.310 nan 0.000 0.440 271 G N 1.817 110.665 108.800 0.079 0.000 2.476 271 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.218 271 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.218 271 G C 1.408 176.448 174.900 0.234 0.000 1.164 271 G CA 1.241 46.400 45.100 0.098 0.000 0.768 271 G HN 0.533 nan 8.290 nan 0.000 0.560 272 L N 0.462 121.843 121.223 0.263 0.000 2.012 272 L HA 0.017 4.357 4.340 -0.001 0.000 0.210 272 L C 2.707 179.748 176.870 0.286 0.000 1.073 272 L CA 1.548 56.575 54.840 0.312 0.000 0.748 272 L CB -0.621 41.584 42.059 0.244 0.000 0.891 272 L HN 0.237 nan 8.230 nan 0.000 0.431 273 L N -1.128 120.220 121.223 0.208 0.000 2.046 273 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 273 L C 2.490 179.465 176.870 0.177 0.000 1.077 273 L CA 1.393 56.343 54.840 0.183 0.000 0.747 273 L CB -0.588 41.564 42.059 0.155 0.000 0.896 273 L HN 0.270 nan 8.230 nan 0.000 0.432 274 S N -0.374 115.399 115.700 0.121 0.000 2.353 274 S HA -0.163 4.306 4.470 -0.001 0.000 0.222 274 S C 1.776 176.385 174.600 0.015 0.000 1.035 274 S CA 1.438 59.678 58.200 0.068 0.000 1.025 274 S CB -0.416 62.714 63.200 -0.117 0.000 0.902 274 S HN 0.214 nan 8.310 nan 0.000 0.440 275 F N 1.924 121.924 119.950 0.083 0.000 2.134 275 F HA -0.034 4.492 4.527 -0.001 0.000 0.299 275 F C 2.585 178.496 175.800 0.185 0.000 1.097 275 F CA 0.598 58.628 58.000 0.050 0.000 1.264 275 F CB -1.057 38.060 39.000 0.195 0.000 1.001 275 F HN 0.171 nan 8.300 nan 0.000 0.479 276 A N -0.152 122.920 122.820 0.420 0.000 1.883 276 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 276 A C 2.140 179.850 177.584 0.210 0.000 1.186 276 A CA 1.746 53.995 52.037 0.354 0.000 0.624 276 A CB -1.150 18.018 19.000 0.280 0.000 0.822 276 A HN 0.337 nan 8.150 nan 0.000 0.444 277 L N -1.549 119.778 121.223 0.174 0.000 2.056 277 L HA -0.113 4.227 4.340 -0.001 0.000 0.207 277 L C 2.297 179.238 176.870 0.118 0.000 1.078 277 L CA 2.353 57.263 54.840 0.117 0.000 0.749 277 L CB -1.023 41.107 42.059 0.119 0.000 0.901 277 L HN 0.546 nan 8.230 nan 0.000 0.433 278 Y N -0.556 119.639 120.300 -0.174 0.000 2.114 278 Y HA -0.352 4.197 4.550 -0.001 0.000 0.282 278 Y C 2.115 177.751 175.900 -0.440 0.000 1.165 278 Y CA 2.251 59.900 58.100 -0.753 0.000 1.148 278 Y CB -0.627 37.145 38.460 -1.146 0.000 0.972 278 Y HN 0.208 nan 8.280 nan 0.000 0.504 279 F N -0.174 119.562 119.950 -0.358 0.000 2.146 279 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 279 F C 2.278 177.744 175.800 -0.556 0.000 1.096 279 F CA 1.299 58.871 58.000 -0.713 0.000 1.275 279 F CB -0.927 37.249 39.000 -1.373 0.000 1.008 279 F HN 0.058 nan 8.300 nan 0.000 0.480 280 L N -0.039 121.114 121.223 -0.117 0.000 2.013 280 L HA -0.236 4.103 4.340 -0.001 0.000 0.212 280 L C 2.545 179.417 176.870 0.004 0.000 1.073 280 L CA 1.730 56.576 54.840 0.010 0.000 0.753 280 L CB -1.071 41.027 42.059 0.065 0.000 0.890 280 L HN 0.176 nan 8.230 nan 0.000 0.432 281 V N -3.648 116.245 119.914 -0.035 0.000 2.809 281 V HA -0.104 4.016 4.120 -0.001 0.000 0.256 281 V C 2.276 178.336 176.094 -0.057 0.000 1.080 281 V CA 1.179 63.486 62.300 0.012 0.000 1.102 281 V CB -0.538 31.348 31.823 0.104 0.000 0.705 281 V HN 0.299 nan 8.190 nan 0.000 0.475 282 K N 1.131 121.404 120.400 -0.211 0.000 2.365 282 K HA 0.150 4.469 4.320 -0.001 0.000 0.197 282 K C 0.405 176.986 176.600 -0.033 0.000 1.042 282 K CA 0.407 56.581 56.287 -0.188 0.000 0.987 282 K CB -0.245 32.014 32.500 -0.401 0.000 0.779 282 K HN 0.563 nan 8.250 nan 0.000 0.484 283 N N 1.611 120.320 118.700 0.015 0.000 2.904 283 N HA 0.127 4.866 4.740 -0.001 0.000 0.257 283 N C -2.206 173.394 175.510 0.150 0.000 1.363 283 N CA -1.178 51.943 53.050 0.119 0.000 0.856 283 N CB 1.539 40.149 38.487 0.204 0.000 1.166 283 N HN -0.101 nan 8.380 nan 0.000 0.499 284 P HA -0.188 nan 4.420 nan 0.000 0.216 284 P C 1.174 178.568 177.300 0.157 0.000 1.150 284 P CA 1.464 64.646 63.100 0.137 0.000 0.843 284 P CB 0.403 32.178 31.700 0.125 0.000 0.787 285 H N -0.441 118.695 119.070 0.109 0.000 2.428 285 H HA -0.026 4.530 4.556 -0.001 0.000 0.296 285 H C 1.761 177.174 175.328 0.142 0.000 1.062 285 H CA 0.988 57.099 56.048 0.105 0.000 1.350 285 H CB -0.494 29.319 29.762 0.084 0.000 1.403 285 H HN -0.199 nan 8.280 nan 0.000 0.533 286 V N 0.326 120.385 119.914 0.241 0.000 2.427 286 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 286 V C 2.424 178.682 176.094 0.274 0.000 1.051 286 V CA 1.450 63.939 62.300 0.314 0.000 1.048 286 V CB -0.603 31.474 31.823 0.424 0.000 0.666 286 V HN 0.376 nan 8.190 nan 0.000 0.456 287 L N 0.080 121.421 121.223 0.197 0.000 2.046 287 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 287 L C 2.439 179.384 176.870 0.125 0.000 1.077 287 L CA 2.109 57.055 54.840 0.176 0.000 0.747 287 L CB -0.791 41.362 42.059 0.157 0.000 0.896 287 L HN 0.350 nan 8.230 nan 0.000 0.432 288 Q N -0.463 119.358 119.800 0.034 0.000 2.061 288 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 288 Q C 2.225 178.178 176.000 -0.077 0.000 0.984 288 Q CA 2.119 57.894 55.803 -0.046 0.000 0.846 288 Q CB -0.008 28.628 28.738 -0.170 0.000 0.902 288 Q HN 0.542 nan 8.270 nan 0.000 0.421 289 K N -0.232 120.086 120.400 -0.136 0.000 2.057 289 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 289 K C 2.008 178.562 176.600 -0.076 0.000 1.050 289 K CA 1.105 57.263 56.287 -0.216 0.000 0.935 289 K CB -0.152 32.061 32.500 -0.479 0.000 0.715 289 K HN 0.228 nan 8.250 nan 0.000 0.439 290 A N 1.404 124.331 122.820 0.180 0.000 1.877 290 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 290 A C 2.373 180.060 177.584 0.171 0.000 1.186 290 A CA 1.907 54.127 52.037 0.305 0.000 0.620 290 A CB -0.841 18.366 19.000 0.344 0.000 0.822 290 A HN 0.327 nan 8.150 nan 0.000 0.443 291 A N -0.282 122.620 122.820 0.136 0.000 1.902 291 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 291 A C 1.913 179.530 177.584 0.056 0.000 1.181 291 A CA 1.774 53.877 52.037 0.111 0.000 0.623 291 A CB -0.578 18.491 19.000 0.114 0.000 0.818 291 A HN 0.639 nan 8.150 nan 0.000 0.443 292 E N -0.755 119.457 120.200 0.019 0.000 2.085 292 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 292 E C 2.100 178.700 176.600 0.000 0.000 0.994 292 E CA 1.382 57.776 56.400 -0.011 0.000 0.801 292 E CB -0.133 29.536 29.700 -0.051 0.000 0.743 292 E HN 0.825 nan 8.360 nan 0.000 0.453 293 E N 0.414 120.624 120.200 0.016 0.000 2.106 293 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 293 E C 2.018 178.648 176.600 0.050 0.000 0.984 293 E CA 0.900 57.322 56.400 0.037 0.000 0.806 293 E CB -0.043 29.705 29.700 0.081 0.000 0.750 293 E HN 0.222 nan 8.360 nan 0.000 0.458 294 A N 1.463 124.322 122.820 0.066 0.000 1.877 294 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 294 A C 2.450 180.046 177.584 0.019 0.000 1.186 294 A CA 1.877 53.948 52.037 0.057 0.000 0.620 294 A CB -0.936 18.113 19.000 0.082 0.000 0.822 294 A HN 0.428 nan 8.150 nan 0.000 0.443 295 A N -0.070 122.754 122.820 0.006 0.000 1.859 295 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 295 A C 2.261 179.838 177.584 -0.012 0.000 1.198 295 A CA 1.869 53.895 52.037 -0.019 0.000 0.629 295 A CB -0.609 18.379 19.000 -0.020 0.000 0.830 295 A HN 0.557 nan 8.150 nan 0.000 0.446 296 R N -1.137 119.362 120.500 -0.001 0.000 2.091 296 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 296 R C 1.987 178.292 176.300 0.007 0.000 1.136 296 R CA 1.670 57.770 56.100 0.001 0.000 0.959 296 R CB -0.419 29.883 30.300 0.003 0.000 0.856 296 R HN 0.437 nan 8.270 nan 0.000 0.437 297 V N 0.821 120.744 119.914 0.016 0.000 2.685 297 V HA 0.001 4.120 4.120 -0.001 0.000 0.244 297 V C 1.017 177.123 176.094 0.021 0.000 1.054 297 V CA 0.711 63.025 62.300 0.022 0.000 1.076 297 V CB 0.038 31.881 31.823 0.032 0.000 0.725 297 V HN 0.162 nan 8.190 nan 0.000 0.467 298 L N 1.831 123.064 121.223 0.017 0.000 2.389 298 L HA 0.205 4.544 4.340 -0.001 0.000 0.265 298 L C 1.030 177.901 176.870 0.002 0.000 1.167 298 L CA -0.109 54.742 54.840 0.018 0.000 1.045 298 L CB 0.630 42.703 42.059 0.025 0.000 1.351 298 L HN 0.210 nan 8.230 nan 0.000 0.419 299 V N -3.228 116.691 119.914 0.008 0.000 3.307 299 V HA 0.183 4.303 4.120 -0.001 0.000 0.253 299 V C 0.769 176.866 176.094 0.006 0.000 1.149 299 V CA 0.148 62.449 62.300 0.001 0.000 1.112 299 V CB -0.137 31.688 31.823 0.004 0.000 0.777 299 V HN 0.427 nan 8.190 nan 0.000 0.464 300 D N 1.573 121.984 120.400 0.019 0.000 2.383 300 D HA 0.304 4.943 4.640 -0.001 0.000 0.248 300 D C -1.619 174.701 176.300 0.035 0.000 1.170 300 D CA -1.761 52.256 54.000 0.027 0.000 0.977 300 D CB 0.895 41.718 40.800 0.037 0.000 1.120 300 D HN 0.069 nan 8.370 nan 0.000 0.481 301 P HA -0.068 nan 4.420 nan 0.000 0.217 301 P C 0.027 177.370 177.300 0.071 0.000 1.150 301 P CA 0.988 64.118 63.100 0.051 0.000 0.832 301 P CB 0.287 32.009 31.700 0.037 0.000 0.787 302 V N -6.379 113.577 119.914 0.069 0.000 2.962 302 V HA 0.647 4.767 4.120 -0.001 0.000 0.313 302 V C -3.017 173.140 176.094 0.104 0.000 1.099 302 V CA -3.164 59.186 62.300 0.083 0.000 0.971 302 V CB 1.524 33.389 31.823 0.070 0.000 1.028 302 V HN -0.297 nan 8.190 nan 0.000 0.430 303 P HA 0.346 nan 4.420 nan 0.000 0.276 303 P C -0.090 177.370 177.300 0.266 0.000 1.235 303 P CA 0.139 63.333 63.100 0.156 0.000 0.772 303 P CB 0.851 32.634 31.700 0.138 0.000 0.871 304 S N 2.540 118.325 115.700 0.143 0.000 2.669 304 S HA 0.145 4.614 4.470 -0.001 0.000 0.270 304 S C 0.977 175.471 174.600 -0.177 0.000 1.225 304 S CA -0.325 57.895 58.200 0.033 0.000 0.991 304 S CB 0.203 63.414 63.200 0.018 0.000 0.987 304 S HN 0.454 nan 8.310 nan 0.000 0.552 305 Y N 1.656 121.548 120.300 -0.681 0.000 2.114 305 Y HA -0.168 4.382 4.550 -0.001 0.000 0.282 305 Y C 2.286 178.131 175.900 -0.092 0.000 1.165 305 Y CA 2.184 59.960 58.100 -0.540 0.000 1.148 305 Y CB -0.375 37.810 38.460 -0.459 0.000 0.972 305 Y HN 0.762 nan 8.280 nan 0.000 0.504 306 K N -0.267 120.186 120.400 0.088 0.000 2.057 306 K HA -0.243 4.076 4.320 -0.001 0.000 0.207 306 K C 2.156 178.762 176.600 0.010 0.000 1.049 306 K CA 1.920 58.250 56.287 0.072 0.000 0.931 306 K CB -0.223 32.323 32.500 0.078 0.000 0.714 306 K HN 0.485 nan 8.250 nan 0.000 0.440 307 Q N 0.141 119.948 119.800 0.011 0.000 2.124 307 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 307 Q C 2.045 178.051 176.000 0.010 0.000 0.977 307 Q CA 1.282 57.097 55.803 0.020 0.000 0.850 307 Q CB 0.031 28.790 28.738 0.036 0.000 0.901 307 Q HN 0.107 nan 8.270 nan 0.000 0.429 308 V N 1.117 121.024 119.914 -0.011 0.000 2.427 308 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 308 V C 1.960 178.038 176.094 -0.027 0.000 1.051 308 V CA 1.605 63.883 62.300 -0.038 0.000 1.048 308 V CB -0.386 31.356 31.823 -0.134 0.000 0.666 308 V HN 0.288 nan 8.190 nan 0.000 0.456 309 K N -0.321 120.050 120.400 -0.047 0.000 2.280 309 K HA -0.142 4.178 4.320 -0.001 0.000 0.202 309 K C 1.982 178.592 176.600 0.017 0.000 1.047 309 K CA 0.821 57.096 56.287 -0.019 0.000 0.942 309 K CB -0.089 32.393 32.500 -0.031 0.000 0.739 309 K HN 0.395 nan 8.250 nan 0.000 0.457 310 Q N 0.248 120.060 119.800 0.021 0.000 2.403 310 Q HA 0.098 4.438 4.340 -0.001 0.000 0.203 310 Q C 0.452 176.480 176.000 0.047 0.000 0.932 310 Q CA 0.319 56.143 55.803 0.035 0.000 0.945 310 Q CB 0.280 29.038 28.738 0.033 0.000 1.045 310 Q HN 0.297 nan 8.270 nan 0.000 0.511 311 L N 1.632 122.882 121.223 0.045 0.000 2.391 311 L HA 0.056 4.396 4.340 -0.001 0.000 0.249 311 L C 1.414 178.332 176.870 0.081 0.000 1.308 311 L CA -0.218 54.661 54.840 0.066 0.000 1.209 311 L CB 0.081 42.173 42.059 0.056 0.000 1.401 311 L HN -0.231 nan 8.230 nan 0.000 0.416 312 K N 0.498 120.956 120.400 0.097 0.000 2.057 312 K HA -0.192 4.128 4.320 -0.001 0.000 0.206 312 K C 1.753 178.426 176.600 0.122 0.000 1.050 312 K CA 1.495 57.842 56.287 0.099 0.000 0.935 312 K CB -0.195 32.366 32.500 0.103 0.000 0.715 312 K HN 0.414 nan 8.250 nan 0.000 0.439 313 Y N 1.576 121.900 120.300 0.041 0.000 2.293 313 Y HA -0.163 4.386 4.550 -0.001 0.000 0.291 313 Y C 2.059 177.994 175.900 0.057 0.000 1.137 313 Y CA 0.746 58.873 58.100 0.046 0.000 1.202 313 Y CB -0.057 38.431 38.460 0.046 0.000 0.990 313 Y HN -0.253 nan 8.280 nan 0.000 0.537 314 V N -0.363 119.606 119.914 0.091 0.000 2.407 314 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 314 V C 2.578 178.664 176.094 -0.015 0.000 1.055 314 V CA 1.881 64.207 62.300 0.043 0.000 1.049 314 V CB -1.474 30.404 31.823 0.092 0.000 0.662 314 V HN 0.594 nan 8.190 nan 0.000 0.455 315 G N -0.678 108.118 108.800 -0.006 0.000 2.422 315 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.218 315 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.218 315 G C 1.624 176.462 174.900 -0.102 0.000 1.146 315 G CA 1.089 46.179 45.100 -0.017 0.000 0.769 315 G HN 0.443 nan 8.290 nan 0.000 0.547 316 M N -0.077 119.426 119.600 -0.161 0.000 2.175 316 M HA -0.008 4.471 4.480 -0.001 0.000 0.264 316 M C 2.648 178.751 176.300 -0.330 0.000 1.063 316 M CA 0.674 55.821 55.300 -0.255 0.000 1.119 316 M CB -0.150 32.300 32.600 -0.249 0.000 1.377 316 M HN 0.095 nan 8.290 nan 0.000 0.415 317 V N 0.725 120.461 119.914 -0.297 0.000 2.332 317 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 317 V C 2.249 178.368 176.094 0.041 0.000 1.055 317 V CA 1.694 63.939 62.300 -0.092 0.000 1.038 317 V CB -0.644 31.201 31.823 0.037 0.000 0.651 317 V HN 0.460 nan 8.190 nan 0.000 0.450 318 L N 0.025 121.252 121.223 0.007 0.000 2.046 318 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 318 L C 2.471 179.337 176.870 -0.006 0.000 1.077 318 L CA 1.484 56.366 54.840 0.070 0.000 0.747 318 L CB -0.716 41.396 42.059 0.089 0.000 0.896 318 L HN 0.380 nan 8.230 nan 0.000 0.432 319 N N -0.138 118.420 118.700 -0.237 0.000 2.188 319 N HA -0.207 4.533 4.740 -0.001 0.000 0.184 319 N C 1.833 176.969 175.510 -0.624 0.000 1.018 319 N CA 1.147 53.888 53.050 -0.516 0.000 0.858 319 N CB -0.058 37.645 38.487 -1.306 0.000 0.989 319 N HN 0.307 nan 8.380 nan 0.000 0.426 320 E N 1.113 120.998 120.200 -0.525 0.000 2.152 320 E HA 0.058 4.407 4.350 -0.001 0.000 0.192 320 E C 1.748 178.289 176.600 -0.098 0.000 0.983 320 E CA 0.955 57.156 56.400 -0.332 0.000 0.818 320 E CB -0.194 29.115 29.700 -0.652 0.000 0.758 320 E HN 0.275 nan 8.360 nan 0.000 0.467 321 A N 0.474 123.402 122.820 0.181 0.000 1.898 321 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 321 A C 2.219 179.932 177.584 0.214 0.000 1.181 321 A CA 1.248 53.508 52.037 0.372 0.000 0.620 321 A CB -0.657 18.656 19.000 0.521 0.000 0.819 321 A HN 0.349 nan 8.150 nan 0.000 0.442 322 L N -1.184 120.129 121.223 0.149 0.000 2.201 322 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 322 L C 2.737 179.726 176.870 0.197 0.000 1.105 322 L CA 1.242 56.158 54.840 0.127 0.000 0.775 322 L CB -0.376 41.732 42.059 0.081 0.000 0.913 322 L HN 0.471 nan 8.230 nan 0.000 0.440 323 R N 0.544 121.153 120.500 0.181 0.000 2.057 323 R HA -0.128 4.212 4.340 -0.001 0.000 0.229 323 R C 2.320 178.601 176.300 -0.031 0.000 1.136 323 R CA 1.291 57.440 56.100 0.080 0.000 0.952 323 R CB -0.134 30.025 30.300 -0.235 0.000 0.848 323 R HN 0.259 nan 8.270 nan 0.000 0.430 324 L N -1.042 120.046 121.223 -0.225 0.000 2.005 324 L HA -0.093 4.246 4.340 -0.001 0.000 0.207 324 L C 0.514 176.856 176.870 -0.880 0.000 1.072 324 L CA 1.131 55.640 54.840 -0.551 0.000 0.744 324 L CB -0.087 41.699 42.059 -0.455 0.000 0.895 324 L HN 0.265 nan 8.230 nan 0.000 0.433 325 W N 0.241 121.463 121.300 -0.131 0.000 2.319 325 W HA 0.287 4.947 4.660 -0.001 0.000 0.288 325 W C -2.247 174.115 176.519 -0.262 0.000 0.959 325 W CA -1.936 55.180 57.345 -0.381 0.000 1.784 325 W CB 0.418 29.204 29.460 -1.124 0.000 1.848 325 W HN -0.169 nan 8.180 nan 0.000 0.408 326 P HA 0.000 nan 4.420 nan 0.000 0.270 326 P C 1.093 178.414 177.300 0.035 0.000 1.242 326 P CA 0.584 63.684 63.100 -0.001 0.000 0.768 326 P CB 1.200 32.850 31.700 -0.083 0.000 0.820 327 T N 0.375 114.963 114.554 0.056 0.000 2.995 327 T HA 0.035 4.385 4.350 -0.001 0.000 0.269 327 T C 1.012 175.754 174.700 0.071 0.000 1.091 327 T CA 0.428 62.600 62.100 0.120 0.000 1.128 327 T CB -0.109 68.866 68.868 0.178 0.000 0.891 327 T HN 0.434 nan 8.240 nan 0.000 0.492 328 A N 3.211 126.050 122.820 0.030 0.000 2.540 328 A HA 0.579 4.899 4.320 -0.001 0.000 0.340 328 A C -1.528 176.085 177.584 0.047 0.000 1.424 328 A CA -1.672 50.397 52.037 0.053 0.000 0.940 328 A CB 0.845 19.894 19.000 0.082 0.000 1.149 328 A HN 0.229 nan 8.150 nan 0.000 0.505 329 P HA 0.239 nan 4.420 nan 0.000 0.249 329 P C 0.159 177.459 177.300 0.000 0.000 1.229 329 P CA 0.872 63.984 63.100 0.020 0.000 0.788 329 P CB 0.408 32.139 31.700 0.051 0.000 1.072 330 A N 0.086 122.931 122.820 0.040 0.000 2.574 330 A HA 0.699 5.018 4.320 -0.001 0.000 0.297 330 A C -1.392 176.246 177.584 0.090 0.000 1.062 330 A CA -0.640 51.384 52.037 -0.022 0.000 0.686 330 A CB 0.948 19.926 19.000 -0.036 0.000 1.285 330 A HN 0.074 nan 8.150 nan 0.000 0.403 331 F N -0.302 119.573 119.950 -0.125 0.000 2.613 331 F HA 0.868 5.394 4.527 -0.001 0.000 0.310 331 F C -0.221 175.466 175.800 -0.188 0.000 1.085 331 F CA -0.822 57.092 58.000 -0.144 0.000 0.945 331 F CB 1.591 40.498 39.000 -0.154 0.000 1.298 331 F HN 0.556 nan 8.300 nan 0.000 0.455 332 S N 2.127 117.811 115.700 -0.026 0.000 2.549 332 S HA 0.880 5.349 4.470 -0.001 0.000 0.297 332 S C -1.111 173.471 174.600 -0.029 0.000 1.115 332 S CA -0.488 57.637 58.200 -0.126 0.000 1.059 332 S CB 0.968 64.100 63.200 -0.112 0.000 1.046 332 S HN 0.693 nan 8.310 nan 0.000 0.506 333 L N 3.445 124.626 121.223 -0.069 0.000 2.350 333 L HA 0.662 5.002 4.340 -0.001 0.000 0.260 333 L C -1.255 175.686 176.870 0.117 0.000 1.015 333 L CA -1.144 53.695 54.840 -0.001 0.000 0.821 333 L CB 1.950 43.946 42.059 -0.105 0.000 1.370 333 L HN 0.821 nan 8.230 nan 0.000 0.416 334 Y N -0.036 120.338 120.300 0.124 0.000 2.536 334 Y HA 0.861 5.410 4.550 -0.001 0.000 0.347 334 Y C -0.296 175.767 175.900 0.272 0.000 1.000 334 Y CA -1.509 56.685 58.100 0.157 0.000 1.051 334 Y CB 1.428 39.961 38.460 0.123 0.000 1.259 334 Y HN 0.574 nan 8.280 nan 0.000 0.468 335 A N 3.849 126.870 122.820 0.334 0.000 2.444 335 A HA 0.243 4.562 4.320 -0.001 0.000 0.273 335 A C 0.708 178.301 177.584 0.016 0.000 1.136 335 A CA -0.544 51.561 52.037 0.114 0.000 0.799 335 A CB 0.112 19.203 19.000 0.153 0.000 1.081 335 A HN 0.985 nan 8.150 nan 0.000 0.509 336 K N 0.814 121.081 120.400 -0.221 0.000 2.148 336 K HA -0.048 4.271 4.320 -0.001 0.000 0.204 336 K C 0.224 176.798 176.600 -0.045 0.000 1.050 336 K CA 1.069 57.300 56.287 -0.093 0.000 0.942 336 K CB 0.109 32.505 32.500 -0.174 0.000 0.724 336 K HN 0.727 nan 8.250 nan 0.000 0.446 337 E N 0.077 120.209 120.200 -0.113 0.000 2.449 337 E HA 0.157 4.507 4.350 -0.001 0.000 0.278 337 E C -1.397 175.158 176.600 -0.076 0.000 0.992 337 E CA -0.694 55.658 56.400 -0.080 0.000 0.807 337 E CB 1.181 30.824 29.700 -0.095 0.000 1.350 337 E HN -0.039 nan 8.360 nan 0.000 0.462 338 D N 0.911 121.286 120.400 -0.042 0.000 2.472 338 D HA 0.255 4.895 4.640 -0.001 0.000 0.237 338 D C 0.112 176.387 176.300 -0.041 0.000 1.141 338 D CA 0.938 54.924 54.000 -0.022 0.000 0.875 338 D CB 0.847 41.641 40.800 -0.010 0.000 1.192 338 D HN 0.245 nan 8.370 nan 0.000 0.450 339 T N -0.306 114.240 114.554 -0.013 0.000 2.733 339 T HA 0.389 4.738 4.350 -0.001 0.000 0.312 339 T C -1.794 172.938 174.700 0.054 0.000 1.590 339 T CA -0.663 61.428 62.100 -0.014 0.000 1.005 339 T CB 1.004 69.810 68.868 -0.104 0.000 1.528 339 T HN 0.011 nan 8.240 nan 0.000 0.496 340 V N 3.027 122.980 119.914 0.064 0.000 2.540 340 V HA 0.696 4.816 4.120 -0.001 0.000 0.302 340 V C -0.628 175.544 176.094 0.131 0.000 1.035 340 V CA -0.810 61.543 62.300 0.089 0.000 0.873 340 V CB 1.526 33.375 31.823 0.044 0.000 0.992 340 V HN 0.811 nan 8.190 nan 0.000 0.428 341 L N 4.113 125.444 121.223 0.181 0.000 2.282 341 L HA 0.782 5.121 4.340 -0.001 0.000 0.288 341 L C 0.991 177.988 176.870 0.213 0.000 1.033 341 L CA 1.108 56.072 54.840 0.207 0.000 0.807 341 L CB 1.201 43.383 42.059 0.205 0.000 1.209 341 L HN 0.952 nan 8.230 nan 0.000 0.423 342 G N 3.324 112.213 108.800 0.147 0.000 2.283 342 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.280 342 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.280 342 G C 1.025 175.945 174.900 0.034 0.000 1.029 342 G CA 0.671 45.840 45.100 0.114 0.000 0.840 342 G HN 1.873 nan 8.290 nan 0.000 0.505 343 G N -1.275 107.536 108.800 0.018 0.000 2.205 343 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.269 343 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.269 343 G C 0.777 175.615 174.900 -0.103 0.000 0.977 343 G CA 1.641 46.723 45.100 -0.029 0.000 0.652 343 G HN 0.857 nan 8.290 nan 0.000 0.539 344 E N -1.954 118.126 120.200 -0.199 0.000 2.414 344 E HA 0.245 4.594 4.350 -0.001 0.000 0.208 344 E C -0.389 175.910 176.600 -0.503 0.000 0.820 344 E CA -0.096 56.013 56.400 -0.484 0.000 1.143 344 E CB 0.597 29.736 29.700 -0.935 0.000 1.150 344 E HN 0.502 nan 8.360 nan 0.000 0.540 345 Y N 2.146 122.462 120.300 0.026 0.000 2.575 345 Y HA 0.318 4.867 4.550 -0.001 0.000 0.326 345 Y C -2.349 173.572 175.900 0.036 0.000 0.979 345 Y CA -3.256 54.861 58.100 0.028 0.000 1.286 345 Y CB 0.684 39.158 38.460 0.023 0.000 1.093 345 Y HN -0.063 nan 8.280 nan 0.000 0.501 346 P HA 0.210 nan 4.420 nan 0.000 0.271 346 P C -0.718 176.650 177.300 0.114 0.000 1.216 346 P CA 0.051 63.211 63.100 0.100 0.000 0.776 346 P CB 1.561 33.296 31.700 0.059 0.000 0.881 347 L N 1.627 122.914 121.223 0.106 0.000 2.381 347 L HA 0.461 4.801 4.340 -0.001 0.000 0.268 347 L C 0.603 177.518 176.870 0.075 0.000 0.997 347 L CA -0.870 54.034 54.840 0.106 0.000 0.818 347 L CB 2.251 44.407 42.059 0.161 0.000 1.310 347 L HN 0.271 nan 8.230 nan 0.000 0.416 348 E N 1.279 121.519 120.200 0.066 0.000 2.283 348 E HA 0.217 4.567 4.350 -0.001 0.000 0.267 348 E C -0.660 175.973 176.600 0.054 0.000 1.045 348 E CA -0.913 55.514 56.400 0.046 0.000 0.884 348 E CB 1.616 31.337 29.700 0.035 0.000 1.106 348 E HN 0.319 nan 8.360 nan 0.000 0.408 349 K N 0.524 120.944 120.400 0.034 0.000 2.504 349 K HA -0.113 4.207 4.320 -0.001 0.000 0.278 349 K C 0.704 177.345 176.600 0.067 0.000 1.025 349 K CA 1.316 57.629 56.287 0.044 0.000 1.093 349 K CB -0.214 32.295 32.500 0.015 0.000 0.873 349 K HN 0.773 nan 8.250 nan 0.000 0.483 350 G N 3.135 112.020 108.800 0.141 0.000 2.217 350 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.246 350 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.246 350 G C -0.419 174.562 174.900 0.135 0.000 0.990 350 G CA 0.098 45.269 45.100 0.119 0.000 0.627 350 G HN 0.724 nan 8.290 nan 0.000 0.522 351 D N 1.808 122.291 120.400 0.138 0.000 2.455 351 D HA 0.424 5.063 4.640 -0.001 0.000 0.241 351 D C 0.783 177.166 176.300 0.138 0.000 1.138 351 D CA 0.480 54.549 54.000 0.114 0.000 0.877 351 D CB 0.641 41.502 40.800 0.101 0.000 1.187 351 D HN 0.575 nan 8.370 nan 0.000 0.451 352 E N 1.146 121.389 120.200 0.072 0.000 2.277 352 E HA 0.516 4.866 4.350 -0.001 0.000 0.274 352 E C -0.333 176.216 176.600 -0.084 0.000 1.022 352 E CA -0.585 55.833 56.400 0.030 0.000 0.853 352 E CB 1.288 30.991 29.700 0.004 0.000 1.086 352 E HN 0.264 nan 8.360 nan 0.000 0.397 353 L N 2.087 123.209 121.223 -0.168 0.000 2.370 353 L HA 0.534 4.873 4.340 -0.001 0.000 0.266 353 L C -0.580 176.031 176.870 -0.431 0.000 1.002 353 L CA -1.015 53.629 54.840 -0.328 0.000 0.818 353 L CB 1.578 43.395 42.059 -0.403 0.000 1.325 353 L HN 0.370 nan 8.230 nan 0.000 0.418 354 M N 2.521 121.742 119.600 -0.631 0.000 2.181 354 M HA 0.353 4.832 4.480 -0.001 0.000 0.323 354 M C -0.822 175.073 176.300 -0.675 0.000 1.004 354 M CA -0.642 54.208 55.300 -0.750 0.000 0.941 354 M CB 2.055 33.873 32.600 -1.303 0.000 1.579 354 M HN 0.189 nan 8.290 nan 0.000 0.427 355 V N 5.241 124.715 119.914 -0.732 0.000 2.389 355 V HA 0.125 4.244 4.120 -0.001 0.000 0.264 355 V C 0.063 175.859 176.094 -0.496 0.000 1.049 355 V CA -0.561 61.304 62.300 -0.725 0.000 0.932 355 V CB 0.923 32.002 31.823 -1.239 0.000 1.011 355 V HN 0.601 nan 8.190 nan 0.000 0.475 356 L N 7.117 128.175 121.223 -0.274 0.000 2.358 356 L HA 0.389 4.729 4.340 -0.001 0.000 0.274 356 L C 1.075 177.842 176.870 -0.171 0.000 1.136 356 L CA 0.617 55.380 54.840 -0.127 0.000 0.970 356 L CB -0.032 42.039 42.059 0.020 0.000 1.314 356 L HN 0.579 nan 8.230 nan 0.000 0.427 357 I N 4.393 124.829 120.570 -0.223 0.000 2.194 357 I HA -0.191 3.979 4.170 -0.001 0.000 0.246 357 I C -0.553 175.279 176.117 -0.475 0.000 1.093 357 I CA 1.125 62.215 61.300 -0.350 0.000 1.355 357 I CB -1.172 36.642 38.000 -0.310 0.000 1.046 357 I HN 0.504 nan 8.210 nan 0.000 0.413 358 P HA -0.132 nan 4.420 nan 0.000 0.219 358 P C 1.567 178.749 177.300 -0.198 0.000 1.150 358 P CA 1.116 64.052 63.100 -0.274 0.000 0.814 358 P CB -0.027 31.572 31.700 -0.169 0.000 0.787 359 Q N -0.623 119.107 119.800 -0.117 0.000 2.083 359 Q HA -0.090 4.250 4.340 -0.001 0.000 0.198 359 Q C 2.147 178.146 176.000 -0.002 0.000 0.969 359 Q CA 0.916 56.692 55.803 -0.046 0.000 0.838 359 Q CB -1.386 27.351 28.738 -0.001 0.000 0.900 359 Q HN 0.204 nan 8.270 nan 0.000 0.436 360 L N 0.749 121.960 121.223 -0.021 0.000 2.021 360 L HA -0.234 4.106 4.340 -0.001 0.000 0.215 360 L C 1.790 178.839 176.870 0.299 0.000 1.074 360 L CA 2.006 56.908 54.840 0.103 0.000 0.760 360 L CB -0.684 41.413 42.059 0.063 0.000 0.889 360 L HN 0.345 nan 8.230 nan 0.000 0.433 361 H N -1.464 117.631 119.070 0.042 0.000 2.556 361 H HA 0.093 4.648 4.556 -0.001 0.000 0.268 361 H C 1.130 176.242 175.328 -0.361 0.000 0.996 361 H CA 0.075 56.051 56.048 -0.121 0.000 1.157 361 H CB 0.203 29.844 29.762 -0.203 0.000 1.355 361 H HN 0.348 nan 8.280 nan 0.000 0.597 362 R N 0.580 121.076 120.500 -0.007 0.000 2.509 362 R HA 0.009 4.348 4.340 -0.001 0.000 0.300 362 R C -0.286 176.090 176.300 0.127 0.000 0.985 362 R CA -0.203 55.880 56.100 -0.028 0.000 1.092 362 R CB 0.615 30.871 30.300 -0.073 0.000 1.237 362 R HN 0.106 nan 8.270 nan 0.000 0.546 363 D N 1.602 122.171 120.400 0.281 0.000 2.349 363 D HA -0.020 4.619 4.640 -0.001 0.000 0.266 363 D C 0.452 176.909 176.300 0.262 0.000 1.293 363 D CA 0.461 54.610 54.000 0.248 0.000 0.926 363 D CB 0.860 41.800 40.800 0.234 0.000 1.090 363 D HN 0.019 nan 8.370 nan 0.000 0.502 364 K N 1.260 121.751 120.400 0.152 0.000 2.280 364 K HA -0.108 4.211 4.320 -0.001 0.000 0.202 364 K C 1.839 178.479 176.600 0.066 0.000 1.047 364 K CA 1.292 57.648 56.287 0.116 0.000 0.942 364 K CB 0.047 32.590 32.500 0.072 0.000 0.739 364 K HN 0.504 nan 8.250 nan 0.000 0.457 365 T N -1.112 113.468 114.554 0.044 0.000 3.113 365 T HA 0.014 4.363 4.350 -0.001 0.000 0.263 365 T C 1.516 176.180 174.700 -0.060 0.000 1.143 365 T CA 0.536 62.636 62.100 -0.001 0.000 1.090 365 T CB 0.015 68.885 68.868 0.004 0.000 0.922 365 T HN -0.029 nan 8.240 nan 0.000 0.521 366 I N -1.847 118.666 120.570 -0.095 0.000 3.565 366 I HA 0.307 4.476 4.170 -0.001 0.000 0.287 366 I C 1.294 177.144 176.117 -0.445 0.000 1.193 366 I CA 0.247 61.344 61.300 -0.339 0.000 1.402 366 I CB -0.525 37.156 38.000 -0.532 0.000 1.284 366 I HN 0.321 nan 8.210 nan 0.000 0.454 367 W N 1.737 122.997 121.300 -0.066 0.000 3.107 367 W HA 0.472 5.131 4.660 -0.001 0.000 0.293 367 W C 1.247 177.712 176.519 -0.091 0.000 1.239 367 W CA 0.794 58.077 57.345 -0.104 0.000 1.653 367 W CB 0.472 29.871 29.460 -0.103 0.000 1.068 367 W HN 0.217 nan 8.180 nan 0.000 0.615 368 G N 0.958 109.822 108.800 0.108 0.000 2.566 368 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.599 368 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.599 368 G C -0.491 174.447 174.900 0.063 0.000 1.292 368 G CA -0.301 44.833 45.100 0.056 0.000 0.922 368 G HN -0.033 nan 8.290 nan 0.000 0.514 369 D N 1.151 121.574 120.400 0.037 0.000 2.434 369 D HA 0.217 4.857 4.640 -0.001 0.000 0.232 369 D C 0.924 177.239 176.300 0.026 0.000 1.166 369 D CA 0.884 54.903 54.000 0.031 0.000 0.830 369 D CB 0.243 41.056 40.800 0.022 0.000 0.960 369 D HN 0.555 nan 8.370 nan 0.000 0.497 370 D N -0.600 119.816 120.400 0.026 0.000 2.819 370 D HA -0.059 4.581 4.640 -0.001 0.000 0.326 370 D C 1.534 177.828 176.300 -0.010 0.000 1.408 370 D CA -0.238 53.769 54.000 0.011 0.000 0.811 370 D CB -0.246 40.559 40.800 0.008 0.000 1.148 370 D HN 0.028 nan 8.370 nan 0.000 0.457 371 V N -1.764 118.142 119.914 -0.012 0.000 2.688 371 V HA -0.159 3.960 4.120 -0.001 0.000 0.256 371 V C 1.613 177.635 176.094 -0.121 0.000 1.084 371 V CA 1.298 63.555 62.300 -0.071 0.000 1.103 371 V CB -0.500 31.291 31.823 -0.053 0.000 0.688 371 V HN 0.073 nan 8.190 nan 0.000 0.480 372 E N -0.152 120.013 120.200 -0.059 0.000 2.400 372 E HA 0.098 4.447 4.350 -0.001 0.000 0.195 372 E C 0.552 177.160 176.600 0.013 0.000 1.012 372 E CA -0.013 56.368 56.400 -0.032 0.000 0.875 372 E CB 0.024 29.737 29.700 0.021 0.000 0.859 372 E HN 0.669 nan 8.360 nan 0.000 0.498 373 E N 0.759 120.961 120.200 0.003 0.000 2.360 373 E HA 0.030 4.380 4.350 -0.001 0.000 0.269 373 E C -0.415 176.180 176.600 -0.008 0.000 1.022 373 E CA -0.258 56.164 56.400 0.037 0.000 0.887 373 E CB 0.282 29.997 29.700 0.024 0.000 0.990 373 E HN -0.034 nan 8.360 nan 0.000 0.426 374 F N 3.954 123.827 119.950 -0.128 0.000 2.462 374 F HA 0.125 4.652 4.527 -0.001 0.000 0.360 374 F C 0.262 175.988 175.800 -0.123 0.000 1.134 374 F CA -0.057 57.787 58.000 -0.261 0.000 1.148 374 F CB 0.207 38.999 39.000 -0.346 0.000 1.147 374 F HN 0.126 nan 8.300 nan 0.000 0.550 375 R N 7.329 127.530 120.500 -0.498 0.000 2.576 375 R HA 0.195 4.535 4.340 -0.001 0.000 0.283 375 R C -2.282 173.774 176.300 -0.406 0.000 1.493 375 R CA -1.528 54.381 56.100 -0.318 0.000 1.170 375 R CB 1.158 31.372 30.300 -0.143 0.000 1.189 375 R HN 0.343 nan 8.270 nan 0.000 0.542 376 P HA -0.166 nan 4.420 nan 0.000 0.219 376 P C 0.429 177.665 177.300 -0.107 0.000 1.146 376 P CA 1.177 64.049 63.100 -0.380 0.000 0.808 376 P CB 0.434 31.842 31.700 -0.486 0.000 0.779 377 E N -0.625 119.554 120.200 -0.036 0.000 2.265 377 E HA -0.139 4.210 4.350 -0.001 0.000 0.196 377 E C 1.911 178.494 176.600 -0.028 0.000 0.996 377 E CA 0.661 57.081 56.400 0.034 0.000 0.832 377 E CB -0.624 29.115 29.700 0.064 0.000 0.756 377 E HN 0.229 nan 8.360 nan 0.000 0.491 378 R N -0.495 119.943 120.500 -0.104 0.000 2.154 378 R HA -0.163 4.176 4.340 -0.001 0.000 0.248 378 R C 0.947 177.036 176.300 -0.350 0.000 1.155 378 R CA 1.299 57.260 56.100 -0.231 0.000 0.979 378 R CB -0.299 29.783 30.300 -0.363 0.000 0.869 378 R HN 0.236 nan 8.270 nan 0.000 0.452 379 F N 1.047 120.924 119.950 -0.121 0.000 2.660 379 F HA 0.034 4.561 4.527 -0.001 0.000 0.302 379 F C 1.949 177.705 175.800 -0.072 0.000 1.103 379 F CA -0.223 57.700 58.000 -0.127 0.000 1.340 379 F CB 0.212 39.088 39.000 -0.206 0.000 1.048 379 F HN -0.005 nan 8.300 nan 0.000 0.551 380 E N 1.445 121.686 120.200 0.068 0.000 2.233 380 E HA -0.285 4.065 4.350 -0.001 0.000 0.199 380 E C -0.260 176.372 176.600 0.053 0.000 1.004 380 E CA 1.471 57.910 56.400 0.066 0.000 0.819 380 E CB -0.507 29.220 29.700 0.045 0.000 0.738 380 E HN 0.493 nan 8.360 nan 0.000 0.478 381 N N -0.033 118.684 118.700 0.029 0.000 2.701 381 N HA 0.212 4.951 4.740 -0.001 0.000 0.258 381 N C -2.439 173.079 175.510 0.013 0.000 1.262 381 N CA -1.277 51.786 53.050 0.021 0.000 0.780 381 N CB 1.726 40.212 38.487 -0.002 0.000 1.380 381 N HN -0.276 nan 8.380 nan 0.000 0.548 382 P HA -0.207 nan 4.420 nan 0.000 0.216 382 P C 0.957 178.269 177.300 0.020 0.000 1.157 382 P CA 1.372 64.518 63.100 0.077 0.000 0.880 382 P CB 0.254 32.026 31.700 0.120 0.000 0.791 383 S N -0.091 115.617 115.700 0.013 0.000 2.423 383 S HA -0.226 4.244 4.470 -0.001 0.000 0.238 383 S C 2.040 176.614 174.600 -0.044 0.000 1.028 383 S CA 1.396 59.590 58.200 -0.009 0.000 1.000 383 S CB -1.235 61.964 63.200 -0.003 0.000 0.797 383 S HN 0.233 nan 8.310 nan 0.000 0.487 384 A N 0.724 123.507 122.820 -0.061 0.000 2.121 384 A HA 0.189 4.508 4.320 -0.001 0.000 0.218 384 A C 0.919 178.409 177.584 -0.156 0.000 1.154 384 A CA 0.561 52.540 52.037 -0.097 0.000 0.679 384 A CB -0.447 18.494 19.000 -0.098 0.000 0.795 384 A HN 0.502 nan 8.150 nan 0.000 0.458 385 I N 1.963 122.429 120.570 -0.173 0.000 2.331 385 I HA 0.232 4.401 4.170 -0.001 0.000 0.292 385 I C -2.020 173.984 176.117 -0.187 0.000 0.998 385 I CA -2.303 58.836 61.300 -0.270 0.000 1.267 385 I CB 1.408 39.227 38.000 -0.301 0.000 1.386 385 I HN 0.091 nan 8.210 nan 0.000 0.476 386 P HA -0.015 nan 4.420 nan 0.000 0.269 386 P C -0.680 176.561 177.300 -0.098 0.000 1.209 386 P CA -0.310 62.706 63.100 -0.140 0.000 0.776 386 P CB 0.577 32.189 31.700 -0.147 0.000 0.876 387 Q N 1.158 120.891 119.800 -0.112 0.000 2.330 387 Q HA -0.074 4.266 4.340 -0.001 0.000 0.279 387 Q C 0.221 176.116 176.000 -0.175 0.000 1.024 387 Q CA 0.408 56.073 55.803 -0.231 0.000 0.900 387 Q CB 0.036 28.553 28.738 -0.368 0.000 1.221 387 Q HN 0.570 nan 8.270 nan 0.000 0.396 388 H N -0.060 119.079 119.070 0.115 0.000 3.428 388 H HA -0.231 4.324 4.556 -0.001 0.000 0.204 388 H C 0.690 176.122 175.328 0.173 0.000 1.078 388 H CA 0.908 57.038 56.048 0.136 0.000 1.183 388 H CB -1.721 28.099 29.762 0.095 0.000 1.132 388 H HN 0.666 nan 8.280 nan 0.000 0.323 389 A N 0.204 123.169 122.820 0.243 0.000 1.968 389 A HA 0.125 4.444 4.320 -0.001 0.000 0.217 389 A C 0.764 178.709 177.584 0.602 0.000 1.169 389 A CA 1.068 53.275 52.037 0.283 0.000 0.638 389 A CB 0.115 19.089 19.000 -0.043 0.000 0.812 389 A HN 0.168 nan 8.150 nan 0.000 0.446 390 F N 0.673 120.837 119.950 0.356 0.000 2.500 390 F HA 0.489 5.016 4.527 -0.001 0.000 0.349 390 F C -0.252 175.774 175.800 0.376 0.000 1.127 390 F CA -1.174 57.037 58.000 0.351 0.000 0.998 390 F CB 1.262 40.487 39.000 0.374 0.000 1.237 390 F HN -0.059 nan 8.300 nan 0.000 0.439 391 K N 7.308 127.836 120.400 0.214 0.000 3.271 391 K HA 0.214 4.533 4.320 -0.001 0.000 0.192 391 K C -2.256 174.296 176.600 -0.079 0.000 1.108 391 K CA -1.223 55.117 56.287 0.088 0.000 0.902 391 K CB 0.864 33.522 32.500 0.263 0.000 0.889 391 K HN 0.316 nan 8.250 nan 0.000 0.520 392 P HA -0.100 nan 4.420 nan 0.000 0.225 392 P C 0.273 177.201 177.300 -0.619 0.000 1.148 392 P CA 0.876 63.661 63.100 -0.525 0.000 0.779 392 P CB 0.025 31.220 31.700 -0.841 0.000 0.780 393 F N -0.336 119.533 119.950 -0.135 0.000 2.684 393 F HA 0.439 4.965 4.527 -0.001 0.000 0.298 393 F C 1.806 177.462 175.800 -0.240 0.000 1.120 393 F CA 0.344 58.266 58.000 -0.130 0.000 1.332 393 F CB -0.221 38.730 39.000 -0.080 0.000 0.986 393 F HN 0.040 nan 8.300 nan 0.000 0.524 394 G N 1.581 110.217 108.800 -0.274 0.000 2.539 394 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.256 394 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.256 394 G C -0.766 173.824 174.900 -0.518 0.000 1.233 394 G CA -0.082 44.514 45.100 -0.839 0.000 0.936 394 G HN 0.519 nan 8.290 nan 0.000 0.571 395 N N -0.256 118.123 118.700 -0.536 0.000 2.324 395 N HA 0.660 5.400 4.740 -0.001 0.000 0.285 395 N C 0.542 175.964 175.510 -0.146 0.000 1.076 395 N CA 1.590 54.506 53.050 -0.223 0.000 0.864 395 N CB 1.436 39.843 38.487 -0.134 0.000 1.632 395 N HN 2.444 nan 8.380 nan 0.000 0.478 396 G N 2.120 110.900 108.800 -0.034 0.000 2.566 396 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.280 396 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.280 396 G C 0.629 175.515 174.900 -0.023 0.000 1.225 396 G CA 0.746 45.837 45.100 -0.015 0.000 0.966 396 G HN 0.841 nan 8.290 nan 0.000 0.560 397 Q N -0.421 119.357 119.800 -0.038 0.000 2.364 397 Q HA 0.105 4.444 4.340 -0.001 0.000 0.207 397 Q C 1.866 177.851 176.000 -0.024 0.000 0.970 397 Q CA 1.324 57.132 55.803 0.008 0.000 0.888 397 Q CB 0.053 28.805 28.738 0.023 0.000 0.951 397 Q HN 0.404 nan 8.270 nan 0.000 0.469 398 R N 0.778 121.164 120.500 -0.191 0.000 2.426 398 R HA 0.402 4.742 4.340 -0.001 0.000 0.263 398 R C 0.017 176.172 176.300 -0.241 0.000 0.961 398 R CA 0.305 56.243 56.100 -0.270 0.000 1.086 398 R CB 0.034 30.060 30.300 -0.457 0.000 1.186 398 R HN 0.315 nan 8.270 nan 0.000 0.537 399 A N 0.275 123.007 122.820 -0.146 0.000 2.296 399 A HA 0.100 4.419 4.320 -0.001 0.000 0.264 399 A C 0.200 177.732 177.584 -0.087 0.000 1.097 399 A CA -0.458 51.490 52.037 -0.148 0.000 0.811 399 A CB 0.403 19.363 19.000 -0.067 0.000 1.072 399 A HN 0.436 nan 8.150 nan 0.000 0.495 400 C N 1.721 120.992 119.300 -0.048 0.000 2.531 400 C HA 0.006 4.465 4.460 -0.001 0.000 0.401 400 C C 1.850 176.790 174.990 -0.083 0.000 1.473 400 C CA 0.432 59.440 59.018 -0.017 0.000 1.472 400 C CB -2.353 25.488 27.740 0.167 0.000 2.429 400 C HN 0.740 nan 8.230 nan 0.000 0.620 401 I N 4.580 125.073 120.570 -0.129 0.000 2.454 401 I HA -0.012 4.157 4.170 -0.001 0.000 0.254 401 I C 2.028 177.809 176.117 -0.561 0.000 1.156 401 I CA 1.926 63.069 61.300 -0.261 0.000 1.433 401 I CB 0.007 37.865 38.000 -0.236 0.000 1.082 401 I HN 0.878 nan 8.210 nan 0.000 0.432 402 G N -0.451 108.089 108.800 -0.434 0.000 3.284 402 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.236 402 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.236 402 G C 1.201 176.082 174.900 -0.031 0.000 1.158 402 G CA -0.029 44.870 45.100 -0.334 0.000 0.774 402 G HN 0.438 nan 8.290 nan 0.000 0.545 403 Q N 0.087 119.781 119.800 -0.177 0.000 2.077 403 Q HA -0.264 4.076 4.340 -0.001 0.000 0.206 403 Q C 2.315 178.182 176.000 -0.222 0.000 0.989 403 Q CA 2.074 57.599 55.803 -0.464 0.000 0.853 403 Q CB 0.008 28.280 28.738 -0.776 0.000 0.907 403 Q HN 0.514 nan 8.270 nan 0.000 0.418 404 Q N -0.638 119.152 119.800 -0.018 0.000 2.172 404 Q HA -0.069 4.270 4.340 -0.001 0.000 0.200 404 Q C 1.623 177.777 176.000 0.257 0.000 0.964 404 Q CA 1.176 57.041 55.803 0.104 0.000 0.855 404 Q CB -0.242 28.574 28.738 0.132 0.000 0.918 404 Q HN 0.372 nan 8.270 nan 0.000 0.444 405 F N 1.281 121.369 119.950 0.229 0.000 2.046 405 F HA -0.281 4.245 4.527 -0.001 0.000 0.297 405 F C 2.125 178.067 175.800 0.237 0.000 1.123 405 F CA 1.613 59.793 58.000 0.299 0.000 1.199 405 F CB -0.647 38.583 39.000 0.383 0.000 0.972 405 F HN 0.081 nan 8.300 nan 0.000 0.474 406 A N 0.486 123.612 122.820 0.511 0.000 1.892 406 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 406 A C 2.313 180.056 177.584 0.264 0.000 1.188 406 A CA 2.123 54.396 52.037 0.394 0.000 0.631 406 A CB -1.298 17.937 19.000 0.392 0.000 0.822 406 A HN 0.510 nan 8.150 nan 0.000 0.447 407 L N -2.003 119.346 121.223 0.211 0.000 2.109 407 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 407 L C 2.628 179.577 176.870 0.131 0.000 1.086 407 L CA 1.553 56.495 54.840 0.170 0.000 0.760 407 L CB -0.659 41.478 42.059 0.130 0.000 0.910 407 L HN 0.596 nan 8.230 nan 0.000 0.437 408 H N 0.356 119.445 119.070 0.033 0.000 2.293 408 H HA -0.215 4.340 4.556 -0.001 0.000 0.300 408 H C 2.243 177.549 175.328 -0.036 0.000 1.082 408 H CA 2.128 58.161 56.048 -0.025 0.000 1.308 408 H CB 0.135 29.873 29.762 -0.040 0.000 1.375 408 H HN 0.276 nan 8.280 nan 0.000 0.495 409 E N -0.241 119.917 120.200 -0.069 0.000 2.058 409 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 409 E C 2.241 178.819 176.600 -0.036 0.000 0.997 409 E CA 1.156 57.494 56.400 -0.102 0.000 0.801 409 E CB -0.277 29.402 29.700 -0.036 0.000 0.746 409 E HN 0.568 nan 8.360 nan 0.000 0.450 410 A N 0.133 122.980 122.820 0.045 0.000 1.930 410 A HA -0.124 4.195 4.320 -0.001 0.000 0.217 410 A C 2.348 179.956 177.584 0.040 0.000 1.175 410 A CA 1.858 53.940 52.037 0.075 0.000 0.627 410 A CB -0.751 18.331 19.000 0.137 0.000 0.815 410 A HN 0.360 nan 8.150 nan 0.000 0.443 411 T N 0.260 114.816 114.554 0.002 0.000 2.777 411 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 411 T C 1.842 176.511 174.700 -0.052 0.000 1.040 411 T CA 1.427 63.519 62.100 -0.012 0.000 1.141 411 T CB -0.391 68.463 68.868 -0.023 0.000 0.868 411 T HN 0.352 nan 8.240 nan 0.000 0.444 412 L N 1.656 122.787 121.223 -0.153 0.000 1.976 412 L HA -0.050 4.289 4.340 -0.001 0.000 0.209 412 L C 2.436 179.277 176.870 -0.050 0.000 1.071 412 L CA 1.689 56.437 54.840 -0.153 0.000 0.746 412 L CB -0.932 40.951 42.059 -0.293 0.000 0.890 412 L HN 0.077 nan 8.230 nan 0.000 0.432 413 V N -0.454 119.438 119.914 -0.036 0.000 2.261 413 V HA -0.271 3.849 4.120 -0.001 0.000 0.246 413 V C 2.568 178.700 176.094 0.064 0.000 1.047 413 V CA 1.779 64.082 62.300 0.005 0.000 1.015 413 V CB -0.831 30.997 31.823 0.009 0.000 0.642 413 V HN 0.493 nan 8.190 nan 0.000 0.446 414 L N 1.317 122.586 121.223 0.077 0.000 2.042 414 L HA -0.083 4.257 4.340 -0.001 0.000 0.210 414 L C 2.384 179.340 176.870 0.142 0.000 1.076 414 L CA 2.378 57.288 54.840 0.116 0.000 0.749 414 L CB -1.396 40.728 42.059 0.107 0.000 0.893 414 L HN 0.315 nan 8.230 nan 0.000 0.432 415 G N -1.113 107.750 108.800 0.107 0.000 2.421 415 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.216 415 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.216 415 G C 1.569 176.557 174.900 0.147 0.000 1.171 415 G CA 1.086 46.253 45.100 0.112 0.000 0.775 415 G HN 0.396 nan 8.290 nan 0.000 0.543 416 M N -0.305 119.386 119.600 0.152 0.000 2.117 416 M HA 0.035 4.515 4.480 -0.001 0.000 0.262 416 M C 2.743 179.265 176.300 0.370 0.000 1.065 416 M CA 1.346 56.789 55.300 0.237 0.000 1.114 416 M CB -0.332 32.366 32.600 0.164 0.000 1.361 416 M HN 0.195 nan 8.290 nan 0.000 0.408 417 M N -0.007 119.814 119.600 0.368 0.000 2.108 417 M HA -0.215 4.265 4.480 -0.001 0.000 0.261 417 M C 1.972 178.705 176.300 0.723 0.000 1.066 417 M CA 1.655 57.338 55.300 0.638 0.000 1.107 417 M CB -0.393 32.539 32.600 0.554 0.000 1.356 417 M HN 0.257 nan 8.290 nan 0.000 0.406 418 L N -0.700 120.800 121.223 0.461 0.000 2.240 418 L HA -0.112 4.228 4.340 -0.001 0.000 0.211 418 L C 2.476 179.484 176.870 0.230 0.000 1.106 418 L CA 0.757 55.835 54.840 0.397 0.000 0.793 418 L CB -0.530 41.692 42.059 0.272 0.000 0.927 418 L HN 0.283 nan 8.230 nan 0.000 0.446 419 K N -0.470 120.012 120.400 0.136 0.000 2.057 419 K HA -0.158 4.161 4.320 -0.001 0.000 0.206 419 K C 1.920 178.382 176.600 -0.230 0.000 1.050 419 K CA 1.193 57.434 56.287 -0.075 0.000 0.935 419 K CB 0.057 32.454 32.500 -0.171 0.000 0.715 419 K HN 0.399 nan 8.250 nan 0.000 0.439 420 H N -1.614 117.418 119.070 -0.064 0.000 2.563 420 H HA 0.124 4.680 4.556 -0.001 0.000 0.264 420 H C -0.313 174.529 175.328 -0.811 0.000 0.957 420 H CA 0.448 56.221 56.048 -0.459 0.000 1.173 420 H CB 0.412 29.779 29.762 -0.658 0.000 1.420 420 H HN 0.007 nan 8.280 nan 0.000 0.551 421 F N 0.348 120.338 119.950 0.065 0.000 2.613 421 F HA 0.268 4.795 4.527 -0.001 0.000 0.310 421 F C -0.292 175.345 175.800 -0.272 0.000 1.085 421 F CA -1.198 56.678 58.000 -0.207 0.000 0.945 421 F CB 1.741 40.413 39.000 -0.546 0.000 1.298 421 F HN -0.244 nan 8.300 nan 0.000 0.455 422 D N 1.847 122.179 120.400 -0.113 0.000 2.233 422 D HA 0.352 4.992 4.640 -0.001 0.000 0.240 422 D C -0.960 175.201 176.300 -0.233 0.000 1.074 422 D CA 0.031 53.990 54.000 -0.069 0.000 0.838 422 D CB 1.366 42.163 40.800 -0.006 0.000 1.124 422 D HN 0.141 nan 8.370 nan 0.000 0.475 423 F N 1.031 121.044 119.950 0.105 0.000 2.422 423 F HA 0.264 4.791 4.527 -0.001 0.000 0.333 423 F C 0.941 176.768 175.800 0.046 0.000 1.095 423 F CA -0.653 57.376 58.000 0.049 0.000 1.038 423 F CB 1.632 40.664 39.000 0.054 0.000 1.156 423 F HN 0.111 nan 8.300 nan 0.000 0.483 424 E N 1.983 122.299 120.200 0.193 0.000 2.224 424 E HA 0.109 4.459 4.350 -0.001 0.000 0.265 424 E C -1.522 175.190 176.600 0.187 0.000 0.878 424 E CA -0.732 55.759 56.400 0.151 0.000 0.759 424 E CB 1.446 31.201 29.700 0.091 0.000 1.164 424 E HN 0.558 nan 8.360 nan 0.000 0.414 425 D N 3.832 124.329 120.400 0.162 0.000 2.545 425 D HA -0.055 4.584 4.640 -0.001 0.000 0.227 425 D C 1.073 177.429 176.300 0.093 0.000 1.150 425 D CA 0.048 54.136 54.000 0.146 0.000 1.046 425 D CB -0.037 40.838 40.800 0.125 0.000 1.098 425 D HN 0.554 nan 8.370 nan 0.000 0.502 426 H N 0.827 119.910 119.070 0.022 0.000 2.529 426 H HA -0.043 4.513 4.556 -0.001 0.000 0.277 426 H C 0.939 176.267 175.328 -0.000 0.000 0.999 426 H CA 1.316 57.364 56.048 0.000 0.000 1.256 426 H CB -0.324 29.420 29.762 -0.030 0.000 1.402 426 H HN 0.312 nan 8.280 nan 0.000 0.566 427 T N -2.461 111.800 114.554 -0.488 0.000 3.054 427 T HA 0.038 4.387 4.350 -0.001 0.000 0.255 427 T C 0.523 175.172 174.700 -0.086 0.000 1.035 427 T CA 0.067 61.995 62.100 -0.287 0.000 0.941 427 T CB -0.482 68.175 68.868 -0.352 0.000 1.026 427 T HN 0.328 nan 8.240 nan 0.000 0.533 428 N N 1.257 119.940 118.700 -0.028 0.000 2.671 428 N HA -0.226 4.513 4.740 -0.001 0.000 0.261 428 N C -0.590 174.950 175.510 0.049 0.000 1.053 428 N CA 0.166 53.230 53.050 0.022 0.000 0.732 428 N CB -2.287 36.202 38.487 0.003 0.000 0.887 428 N HN 0.793 nan 8.380 nan 0.000 0.546 429 Y N 0.711 121.010 120.300 -0.002 0.000 2.610 429 Y HA 0.279 4.829 4.550 -0.001 0.000 0.332 429 Y C 0.591 176.520 175.900 0.048 0.000 1.201 429 Y CA -0.321 57.801 58.100 0.035 0.000 1.465 429 Y CB 0.604 39.166 38.460 0.169 0.000 1.283 429 Y HN 0.354 nan 8.280 nan 0.000 0.563 430 E N 5.744 125.515 120.200 -0.713 0.000 2.130 430 E HA 0.236 4.586 4.350 -0.001 0.000 0.284 430 E C -1.484 174.458 176.600 -1.097 0.000 1.018 430 E CA -0.735 55.273 56.400 -0.652 0.000 0.817 430 E CB 0.455 29.950 29.700 -0.343 0.000 1.078 430 E HN 0.733 nan 8.360 nan 0.000 0.396 431 L N 4.689 125.480 121.223 -0.720 0.000 2.584 431 L HA 0.148 4.487 4.340 -0.001 0.000 0.272 431 L C -0.733 175.871 176.870 -0.443 0.000 1.195 431 L CA 0.965 55.415 54.840 -0.650 0.000 0.920 431 L CB 0.252 42.007 42.059 -0.507 0.000 1.173 431 L HN 0.474 nan 8.230 nan 0.000 0.489 432 D N 5.535 125.741 120.400 -0.323 0.000 2.421 432 D HA 0.299 4.938 4.640 -0.001 0.000 0.254 432 D C -0.761 175.430 176.300 -0.182 0.000 1.238 432 D CA -0.209 53.670 54.000 -0.201 0.000 0.919 432 D CB 0.555 41.286 40.800 -0.114 0.000 1.152 432 D HN 0.424 nan 8.370 nan 0.000 0.552 433 I N 3.304 123.729 120.570 -0.241 0.000 2.312 433 I HA 0.204 4.374 4.170 -0.001 0.000 0.291 433 I C 0.757 176.783 176.117 -0.151 0.000 1.031 433 I CA -0.497 60.660 61.300 -0.239 0.000 1.293 433 I CB 0.893 38.645 38.000 -0.412 0.000 1.403 433 I HN 0.080 nan 8.210 nan 0.000 0.484 434 K N 6.662 126.995 120.400 -0.112 0.000 2.174 434 K HA 0.373 4.692 4.320 -0.001 0.000 0.275 434 K C -0.596 175.973 176.600 -0.050 0.000 1.015 434 K CA -0.475 55.767 56.287 -0.075 0.000 0.933 434 K CB 0.921 33.382 32.500 -0.065 0.000 1.025 434 K HN 0.526 nan 8.250 nan 0.000 0.463 435 E N 2.102 122.279 120.200 -0.038 0.000 2.191 435 E HA 0.156 4.505 4.350 -0.001 0.000 0.263 435 E C -0.992 175.599 176.600 -0.015 0.000 0.881 435 E CA -0.597 55.791 56.400 -0.020 0.000 0.757 435 E CB 1.867 31.555 29.700 -0.020 0.000 1.147 435 E HN 0.665 nan 8.360 nan 0.000 0.414 436 T N 0.746 115.296 114.554 -0.008 0.000 3.839 436 T HA 0.278 4.627 4.350 -0.001 0.000 0.230 436 T C 0.807 175.507 174.700 0.000 0.000 1.095 436 T CA -0.432 61.664 62.100 -0.006 0.000 1.470 436 T CB -0.544 68.317 68.868 -0.012 0.000 0.881 436 T HN 0.605 nan 8.240 nan 0.000 0.637 437 L N -1.063 120.164 121.223 0.007 0.000 5.121 437 L HA -0.243 4.097 4.340 -0.001 0.000 0.402 437 L C 0.851 177.728 176.870 0.012 0.000 0.826 437 L CA 1.788 56.634 54.840 0.010 0.000 2.021 437 L CB -2.601 39.460 42.059 0.004 0.000 1.272 437 L HN 0.815 nan 8.230 nan 0.000 0.617 438 T N -1.680 112.879 114.554 0.008 0.000 2.926 438 T HA 0.776 5.126 4.350 -0.001 0.000 0.289 438 T C -0.420 174.308 174.700 0.047 0.000 1.054 438 T CA -0.918 61.197 62.100 0.025 0.000 1.015 438 T CB 2.537 71.407 68.868 0.002 0.000 1.167 438 T HN 0.165 nan 8.240 nan 0.000 0.526 439 L N 1.426 122.711 121.223 0.105 0.000 2.325 439 L HA 0.741 5.080 4.340 -0.001 0.000 0.278 439 L C -0.117 176.881 176.870 0.213 0.000 1.023 439 L CA -1.003 53.934 54.840 0.163 0.000 0.811 439 L CB 1.625 43.815 42.059 0.219 0.000 1.249 439 L HN 0.903 nan 8.230 nan 0.000 0.431 440 K N 2.044 122.467 120.400 0.039 0.000 2.546 440 K HA 0.514 4.834 4.320 -0.001 0.000 0.264 440 K C -3.064 173.261 176.600 -0.458 0.000 0.937 440 K CA -1.756 54.358 56.287 -0.288 0.000 0.833 440 K CB 2.563 34.955 32.500 -0.180 0.000 1.378 440 K HN 0.114 nan 8.250 nan 0.000 0.432 441 P HA 0.056 nan 4.420 nan 0.000 0.273 441 P C -0.798 176.364 177.300 -0.230 0.000 1.428 441 P CA 0.091 62.864 63.100 -0.545 0.000 0.995 441 P CB 0.634 31.852 31.700 -0.803 0.000 1.286 442 E N 2.770 122.904 120.200 -0.110 0.000 2.415 442 E HA 0.194 4.543 4.350 -0.001 0.000 0.263 442 E C 1.169 177.799 176.600 0.049 0.000 0.995 442 E CA 0.514 56.891 56.400 -0.040 0.000 0.915 442 E CB -0.221 29.459 29.700 -0.034 0.000 0.951 442 E HN 0.712 nan 8.360 nan 0.000 0.449 443 G N 4.157 112.953 108.800 -0.007 0.000 2.189 443 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.267 443 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.267 443 G C -0.005 174.798 174.900 -0.163 0.000 0.975 443 G CA 0.233 45.334 45.100 0.002 0.000 0.644 443 G HN 0.576 nan 8.290 nan 0.000 0.537 444 F N 2.301 121.854 119.950 -0.662 0.000 2.557 444 F HA 0.474 5.000 4.527 -0.001 0.000 0.384 444 F C 0.623 176.112 175.800 -0.519 0.000 1.057 444 F CA -0.665 56.653 58.000 -1.137 0.000 1.169 444 F CB 0.545 38.936 39.000 -1.015 0.000 1.070 444 F HN 0.603 nan 8.300 nan 0.000 0.554 445 V N 6.028 125.523 119.914 -0.698 0.000 2.914 445 V HA 0.920 5.040 4.120 -0.001 0.000 0.314 445 V C -0.811 175.005 176.094 -0.464 0.000 1.084 445 V CA -0.498 61.498 62.300 -0.506 0.000 0.963 445 V CB 1.106 32.787 31.823 -0.237 0.000 1.025 445 V HN 0.895 nan 8.190 nan 0.000 0.432 446 V N 0.118 119.866 119.914 -0.277 0.000 3.182 446 V HA 0.747 4.867 4.120 -0.001 0.000 0.308 446 V C -0.785 175.260 176.094 -0.082 0.000 1.240 446 V CA -1.057 61.213 62.300 -0.051 0.000 1.063 446 V CB 2.106 33.833 31.823 -0.160 0.000 1.076 446 V HN 1.024 nan 8.190 nan 0.000 0.446 447 K N 0.750 121.090 120.400 -0.099 0.000 2.259 447 K HA 0.859 5.178 4.320 -0.001 0.000 0.252 447 K C -0.822 175.643 176.600 -0.226 0.000 0.936 447 K CA -0.392 55.736 56.287 -0.265 0.000 0.810 447 K CB 2.204 34.515 32.500 -0.316 0.000 1.143 447 K HN 1.154 nan 8.250 nan 0.000 0.427 448 A N 3.339 125.947 122.820 -0.354 0.000 2.360 448 A HA 0.252 4.572 4.320 -0.001 0.000 0.309 448 A C -0.771 176.701 177.584 -0.187 0.000 1.311 448 A CA -0.865 50.883 52.037 -0.481 0.000 0.805 448 A CB 0.050 18.525 19.000 -0.876 0.000 1.144 448 A HN 0.753 nan 8.150 nan 0.000 0.486 449 K N 1.745 122.079 120.400 -0.110 0.000 2.297 449 K HA 0.466 4.785 4.320 -0.001 0.000 0.286 449 K C 0.178 176.825 176.600 0.079 0.000 1.053 449 K CA -0.171 56.115 56.287 -0.002 0.000 0.940 449 K CB 1.196 33.681 32.500 -0.025 0.000 1.019 449 K HN 0.331 nan 8.250 nan 0.000 0.475 450 S N 2.374 118.152 115.700 0.130 0.000 2.560 450 S HA 0.010 4.480 4.470 -0.001 0.000 0.284 450 S C 0.422 174.969 174.600 -0.088 0.000 1.327 450 S CA -0.335 57.864 58.200 -0.001 0.000 1.055 450 S CB 0.422 63.630 63.200 0.013 0.000 0.868 450 S HN 0.748 nan 8.310 nan 0.000 0.506 451 K N 2.201 122.492 120.400 -0.181 0.000 2.444 451 K HA 0.152 4.472 4.320 -0.001 0.000 0.193 451 K C -0.079 176.459 176.600 -0.103 0.000 1.024 451 K CA -0.115 56.098 56.287 -0.124 0.000 1.077 451 K CB 0.088 32.503 32.500 -0.141 0.000 0.833 451 K HN 0.542 nan 8.250 nan 0.000 0.517 452 K N 0.570 120.909 120.400 -0.101 0.000 3.125 452 K HA -0.191 4.129 4.320 -0.001 0.000 0.268 452 K C -0.733 175.839 176.600 -0.046 0.000 1.078 452 K CA 0.824 57.076 56.287 -0.059 0.000 0.775 452 K CB -2.159 30.317 32.500 -0.040 0.000 1.253 452 K HN 0.289 nan 8.250 nan 0.000 0.486 453 I N 1.588 122.135 120.570 -0.039 0.000 2.339 453 I HA 0.191 4.361 4.170 -0.001 0.000 0.290 453 I C -1.799 174.361 176.117 0.073 0.000 0.994 453 I CA -2.326 58.959 61.300 -0.024 0.000 1.191 453 I CB 1.204 39.115 38.000 -0.148 0.000 1.343 453 I HN -0.158 nan 8.210 nan 0.000 0.458 454 P HA 0.044 nan 4.420 nan 0.000 0.266 454 P C -0.867 176.489 177.300 0.093 0.000 1.195 454 P CA -0.225 62.900 63.100 0.041 0.000 0.768 454 P CB 0.537 32.248 31.700 0.017 0.000 0.838 455 L N 2.894 124.139 121.223 0.036 0.000 2.307 455 L HA 0.647 4.986 4.340 -0.001 0.000 0.284 455 L C 0.518 177.389 176.870 0.002 0.000 1.023 455 L CA -0.233 54.615 54.840 0.013 0.000 0.810 455 L CB 1.105 43.077 42.059 -0.144 0.000 1.231 455 L HN 0.482 nan 8.230 nan 0.000 0.423 456 G N 2.753 111.566 108.800 0.021 0.000 2.636 456 G HA2 0.424 4.383 3.960 -0.001 0.000 0.246 456 G HA3 0.424 4.383 3.960 -0.001 0.000 0.246 456 G C 0.145 175.045 174.900 0.000 0.000 1.216 456 G CA -0.129 44.980 45.100 0.015 0.000 0.854 456 G HN 0.983 nan 8.290 nan 0.000 0.572 457 G N -1.083 107.719 108.800 0.004 0.000 2.606 457 G HA2 0.401 4.360 3.960 -0.001 0.000 0.252 457 G HA3 0.401 4.360 3.960 -0.001 0.000 0.252 457 G C 0.037 174.941 174.900 0.006 0.000 1.206 457 G CA -0.748 44.352 45.100 0.000 0.000 0.861 457 G HN 0.635 nan 8.290 nan 0.000 0.561 458 I N 2.770 123.343 120.570 0.004 0.000 2.452 458 I HA 0.146 4.315 4.170 -0.001 0.000 0.287 458 I C -1.217 174.913 176.117 0.023 0.000 1.079 458 I CA -1.264 60.042 61.300 0.010 0.000 1.387 458 I CB 0.916 38.920 38.000 0.005 0.000 1.404 458 I HN 0.337 nan 8.210 nan 0.000 0.522 459 P HA 0.193 nan 4.420 nan 0.000 0.270 459 P C -0.105 177.219 177.300 0.040 0.000 1.223 459 P CA 0.086 63.212 63.100 0.043 0.000 0.785 459 P CB 0.841 32.582 31.700 0.068 0.000 0.923 460 S N 0.000 115.720 115.700 0.034 0.000 2.498 460 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 460 S CA 0.000 58.216 58.200 0.027 0.000 1.107 460 S CB 0.000 63.219 63.200 0.032 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517