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 1n54_1_A DATA FIRST_RESID 24 DATA SEQUENCE ANETEDHLES LICKVGEKSA CSLESNLEGL AGVLEADLPN YKSKILRLLC DATA SEQUENCE TVARLLPEKL TIYTTLVGLL NARNYNFGGE FVEAMIRQLK ESLKANNYNE DATA SEQUENCE AVYLVRFLSD LVNCHVIAAP SMVAMFENFV SVTQEEDVPQ VRRDWYVYAF DATA SEQUENCE LSSLPWVGKE LYEKKDAEMD RIFANTESYL KRRQKTHVPM LQVWTADKPH DATA SEQUENCE PQEEYLDCLW AQIQKLKKDR WQERHILRPY LAFDSILCEA LQHNLPPFTP DATA SEQUENCE PPHTEDSVYP MPRVIFRMFD YTDDPEGPVM PGSHSVERFV IEENLHCIIK DATA SEQUENCE SHWKERKTCA AQLVSYPGKN KIPLNYHIVE VIFAELFQLP APPHIDVMYT DATA SEQUENCE TLLIELCKLQ PGSLPQVLAQ ATEMLYMRLD TMNTTCVDRF INWFSHHLSN DATA SEQUENCE FQFRWSWEDW SDCLSQDPES PKPKFVREVL EKCMRLSYHQ RILDIVPPTF DATA SEQUENCE SALCPANPTC IYKYGDESSN SLPGHSVALC LAVAFKSKAT NDEIFSILKD DATA SEQUENCE VPNXXXXXXX XXXXXFNPLK IEVFVQTLLH LAAKSFSHSF SALAKFHEVF DATA SEQUENCE KTLAESDEGK LHVLRVMFEV WRNHPQMIAV LVDKMIRTQI VDCAAVANWI DATA SEQUENCE FSSELSRDFT RLFVWEILHS TIRKMNKHVL KIQKELEEAK EKXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXLEEQIE RLQEKVESAQ SEQKNLFLVI FQRFIMILTE DATA SEQUENCE HLVRCETDGT SVLTPWYKNC IERLQQIFLQ HHQIIQQYMV TLENLLFTAE DATA SEQUENCE LDPHILAVFQ QFCALQA 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.598 177.584 0.024 0.000 1.274 24 A CA 0.000 52.047 52.037 0.017 0.000 0.836 24 A CB 0.000 19.010 19.000 0.017 0.000 0.831 25 N N 0.803 119.512 118.700 0.015 0.000 2.413 25 N HA 0.129 4.869 4.740 0.001 0.000 0.207 25 N C 1.054 176.573 175.510 0.016 0.000 1.206 25 N CA 0.486 53.547 53.050 0.017 0.000 0.832 25 N CB 0.217 38.707 38.487 0.005 0.000 1.037 25 N HN 0.569 nan 8.380 nan 0.000 0.467 26 E N -0.472 119.742 120.200 0.023 0.000 2.265 26 E HA -0.102 4.249 4.350 0.001 0.000 0.196 26 E C 1.729 178.368 176.600 0.066 0.000 0.996 26 E CA 0.972 57.382 56.400 0.018 0.000 0.832 26 E CB -0.101 29.628 29.700 0.048 0.000 0.756 26 E HN 0.182 nan 8.360 nan 0.000 0.491 27 T N -0.758 113.848 114.554 0.087 0.000 2.942 27 T HA -0.038 4.312 4.350 0.001 0.000 0.265 27 T C 1.292 176.047 174.700 0.092 0.000 1.062 27 T CA 0.951 63.118 62.100 0.112 0.000 1.139 27 T CB -0.039 68.887 68.868 0.098 0.000 0.883 27 T HN 0.192 nan 8.240 nan 0.000 0.468 28 E N 0.831 121.066 120.200 0.059 0.000 2.152 28 E HA -0.077 4.274 4.350 0.001 0.000 0.192 28 E C 1.740 178.356 176.600 0.026 0.000 0.983 28 E CA 0.820 57.247 56.400 0.045 0.000 0.818 28 E CB -0.029 29.690 29.700 0.032 0.000 0.758 28 E HN 0.588 nan 8.360 nan 0.000 0.467 29 D N 0.371 120.767 120.400 -0.007 0.000 2.110 29 D HA -0.104 4.537 4.640 0.001 0.000 0.202 29 D C 1.930 178.200 176.300 -0.049 0.000 0.975 29 D CA 0.837 54.801 54.000 -0.059 0.000 0.839 29 D CB -0.128 40.589 40.800 -0.139 0.000 0.996 29 D HN 0.206 nan 8.370 nan 0.000 0.464 30 H N 0.804 119.883 119.070 0.016 0.000 2.422 30 H HA -0.047 4.510 4.556 0.001 0.000 0.298 30 H C 2.412 177.750 175.328 0.017 0.000 1.098 30 H CA 0.556 56.613 56.048 0.015 0.000 1.315 30 H CB -0.175 29.594 29.762 0.011 0.000 1.382 30 H HN 0.162 nan 8.280 nan 0.000 0.523 31 L N 0.262 121.569 121.223 0.140 0.000 1.988 31 L HA -0.158 4.183 4.340 0.001 0.000 0.207 31 L C 2.624 179.540 176.870 0.078 0.000 1.071 31 L CA 1.361 56.256 54.840 0.091 0.000 0.744 31 L CB -0.412 41.689 42.059 0.070 0.000 0.893 31 L HN 0.230 nan 8.230 nan 0.000 0.433 32 E N -0.602 119.634 120.200 0.061 0.000 2.187 32 E HA -0.295 4.056 4.350 0.001 0.000 0.199 32 E C 2.231 178.868 176.600 0.062 0.000 1.004 32 E CA 1.545 57.975 56.400 0.051 0.000 0.813 32 E CB 0.032 29.749 29.700 0.028 0.000 0.736 32 E HN 0.361 nan 8.360 nan 0.000 0.468 33 S N -0.220 115.520 115.700 0.067 0.000 2.335 33 S HA -0.082 4.389 4.470 0.001 0.000 0.217 33 S C 1.977 176.631 174.600 0.090 0.000 1.032 33 S CA 0.864 59.109 58.200 0.075 0.000 0.985 33 S CB -0.250 63.004 63.200 0.089 0.000 0.896 33 S HN 0.347 nan 8.310 nan 0.000 0.445 34 L N 1.308 122.588 121.223 0.095 0.000 2.127 34 L HA -0.088 4.253 4.340 0.001 0.000 0.211 34 L C 2.394 179.313 176.870 0.083 0.000 1.089 34 L CA 0.581 55.465 54.840 0.074 0.000 0.757 34 L CB -0.447 41.644 42.059 0.053 0.000 0.899 34 L HN 0.373 nan 8.230 nan 0.000 0.434 35 I N -0.490 120.145 120.570 0.108 0.000 2.142 35 I HA -0.312 3.859 4.170 0.001 0.000 0.240 35 I C 2.619 178.901 176.117 0.274 0.000 1.078 35 I CA 1.413 62.819 61.300 0.177 0.000 1.343 35 I CB -1.082 37.019 38.000 0.168 0.000 1.046 35 I HN 0.388 nan 8.210 nan 0.000 0.405 36 C N 0.507 119.929 119.300 0.205 0.000 2.453 36 C HA -0.114 4.347 4.460 0.001 0.000 0.277 36 C C 2.623 177.722 174.990 0.182 0.000 1.262 36 C CA 0.296 59.446 59.018 0.218 0.000 1.718 36 C CB -0.889 26.925 27.740 0.123 0.000 2.031 36 C HN 0.379 nan 8.230 nan 0.000 0.480 37 K N 1.359 121.828 120.400 0.116 0.000 2.293 37 K HA -0.147 4.174 4.320 0.001 0.000 0.204 37 K C 1.825 178.460 176.600 0.058 0.000 1.045 37 K CA 1.544 57.877 56.287 0.077 0.000 0.933 37 K CB -0.572 31.963 32.500 0.058 0.000 0.736 37 K HN 0.669 nan 8.250 nan 0.000 0.463 38 V N -3.324 116.618 119.914 0.048 0.000 2.346 38 V HA 0.022 4.143 4.120 0.001 0.000 0.244 38 V C 2.063 178.145 176.094 -0.020 0.000 1.037 38 V CA 1.833 64.119 62.300 -0.022 0.000 1.029 38 V CB -1.303 30.451 31.823 -0.116 0.000 0.663 38 V HN 0.180 nan 8.190 nan 0.000 0.454 39 G N 0.242 109.064 108.800 0.037 0.000 2.422 39 G HA2 -0.140 3.820 3.960 0.001 0.000 0.218 39 G HA3 -0.140 3.820 3.960 0.001 0.000 0.218 39 G C 0.754 175.718 174.900 0.107 0.000 1.146 39 G CA 0.487 45.658 45.100 0.118 0.000 0.769 39 G HN 0.680 nan 8.290 nan 0.000 0.547 40 E N 0.739 121.004 120.200 0.108 0.000 2.418 40 E HA 0.274 4.625 4.350 0.001 0.000 0.261 40 E C 0.352 176.976 176.600 0.041 0.000 1.070 40 E CA -0.363 56.081 56.400 0.073 0.000 0.931 40 E CB 0.563 30.302 29.700 0.065 0.000 0.954 40 E HN 0.516 nan 8.360 nan 0.000 0.439 41 K N 0.449 120.867 120.400 0.030 0.000 2.402 41 K HA 0.092 4.413 4.320 0.001 0.000 0.265 41 K C -0.288 176.319 176.600 0.012 0.000 0.978 41 K CA -0.052 56.245 56.287 0.016 0.000 0.913 41 K CB 0.373 32.881 32.500 0.014 0.000 0.954 41 K HN 0.520 nan 8.250 nan 0.000 0.511 42 S N -1.139 114.564 115.700 0.005 0.000 2.661 42 S HA 0.571 5.042 4.470 0.001 0.000 0.268 42 S C -0.677 173.923 174.600 -0.001 0.000 1.162 42 S CA -0.694 57.508 58.200 0.003 0.000 0.817 42 S CB 1.284 64.485 63.200 0.001 0.000 1.141 42 S HN 0.846 nan 8.310 nan 0.000 0.477 43 A N -0.390 122.429 122.820 -0.002 0.000 2.610 43 A HA 0.677 4.997 4.320 0.001 0.000 0.286 43 A C 0.226 177.806 177.584 -0.007 0.000 1.306 43 A CA -0.376 51.659 52.037 -0.004 0.000 0.942 43 A CB -1.222 17.776 19.000 -0.002 0.000 1.112 43 A HN 1.083 nan 8.150 nan 0.000 0.527 44 C N -0.929 118.365 119.300 -0.009 0.000 3.318 44 C HA 0.678 5.138 4.460 0.001 0.000 0.322 44 C C 0.502 175.482 174.990 -0.017 0.000 1.398 44 C CA 0.045 59.055 59.018 -0.013 0.000 1.339 44 C CB 1.288 29.022 27.740 -0.010 0.000 1.668 44 C HN 0.731 nan 8.230 nan 0.000 0.462 45 S N 2.125 117.810 115.700 -0.024 0.000 2.562 45 S HA 0.186 4.657 4.470 0.001 0.000 0.281 45 S C 0.885 175.469 174.600 -0.026 0.000 1.333 45 S CA 0.084 58.264 58.200 -0.033 0.000 1.052 45 S CB 0.841 64.012 63.200 -0.048 0.000 0.884 45 S HN 1.192 nan 8.310 nan 0.000 0.506 46 L N 2.436 123.640 121.223 -0.031 0.000 2.127 46 L HA -0.032 4.308 4.340 0.001 0.000 0.211 46 L C 2.140 179.018 176.870 0.013 0.000 1.089 46 L CA 1.985 56.814 54.840 -0.019 0.000 0.757 46 L CB -1.003 41.038 42.059 -0.031 0.000 0.899 46 L HN 0.851 nan 8.230 nan 0.000 0.434 47 E N -0.045 120.149 120.200 -0.009 0.000 2.038 47 E HA -0.205 4.146 4.350 0.001 0.000 0.195 47 E C 2.385 179.050 176.600 0.108 0.000 1.000 47 E CA 1.832 58.240 56.400 0.013 0.000 0.803 47 E CB -0.542 29.034 29.700 -0.207 0.000 0.750 47 E HN 0.743 nan 8.360 nan 0.000 0.448 48 S N 0.833 116.553 115.700 0.034 0.000 2.365 48 S HA -0.234 4.237 4.470 0.001 0.000 0.225 48 S C 1.804 176.432 174.600 0.045 0.000 1.039 48 S CA 1.553 59.778 58.200 0.041 0.000 1.033 48 S CB -0.605 62.599 63.200 0.007 0.000 0.887 48 S HN 0.147 nan 8.310 nan 0.000 0.447 49 N N 1.714 120.429 118.700 0.026 0.000 2.166 49 N HA 0.101 4.842 4.740 0.001 0.000 0.186 49 N C 1.658 177.169 175.510 0.003 0.000 1.019 49 N CA 1.220 54.275 53.050 0.007 0.000 0.856 49 N CB -0.516 37.966 38.487 -0.008 0.000 0.993 49 N HN 0.401 nan 8.380 nan 0.000 0.426 50 L N 0.031 121.276 121.223 0.037 0.000 2.044 50 L HA -0.092 4.249 4.340 0.001 0.000 0.205 50 L C 2.340 179.208 176.870 -0.003 0.000 1.075 50 L CA 1.001 55.847 54.840 0.009 0.000 0.747 50 L CB -0.377 41.730 42.059 0.080 0.000 0.903 50 L HN 0.121 nan 8.230 nan 0.000 0.435 51 E N 0.615 120.882 120.200 0.113 0.000 2.038 51 E HA -0.189 4.162 4.350 0.001 0.000 0.195 51 E C 2.062 178.666 176.600 0.007 0.000 1.000 51 E CA 1.761 58.209 56.400 0.080 0.000 0.803 51 E CB -0.542 29.283 29.700 0.208 0.000 0.750 51 E HN 0.330 nan 8.360 nan 0.000 0.448 52 G N 0.688 109.496 108.800 0.014 0.000 2.446 52 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 52 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 52 G C 1.501 176.380 174.900 -0.035 0.000 1.168 52 G CA 0.963 46.056 45.100 -0.011 0.000 0.771 52 G HN 0.377 nan 8.290 nan 0.000 0.551 53 L N 1.505 122.705 121.223 -0.039 0.000 2.187 53 L HA 0.140 4.481 4.340 0.001 0.000 0.213 53 L C 2.928 179.747 176.870 -0.084 0.000 1.100 53 L CA 1.667 56.473 54.840 -0.055 0.000 0.765 53 L CB -0.739 41.287 42.059 -0.055 0.000 0.904 53 L HN 0.264 nan 8.230 nan 0.000 0.437 54 A N -0.259 122.502 122.820 -0.097 0.000 1.834 54 A HA -0.109 4.212 4.320 0.001 0.000 0.216 54 A C 2.370 179.879 177.584 -0.125 0.000 1.203 54 A CA 1.738 53.697 52.037 -0.131 0.000 0.621 54 A CB -1.680 17.234 19.000 -0.144 0.000 0.841 54 A HN 0.478 nan 8.150 nan 0.000 0.446 55 G N -0.957 107.787 108.800 -0.093 0.000 2.462 55 G HA2 -0.060 3.901 3.960 0.001 0.000 0.220 55 G HA3 -0.060 3.901 3.960 0.001 0.000 0.220 55 G C 1.442 176.288 174.900 -0.089 0.000 1.121 55 G CA 1.233 46.281 45.100 -0.086 0.000 0.758 55 G HN 0.333 nan 8.290 nan 0.000 0.559 56 V N 0.948 120.812 119.914 -0.083 0.000 2.270 56 V HA -0.132 3.989 4.120 0.001 0.000 0.245 56 V C 2.890 178.927 176.094 -0.095 0.000 1.043 56 V CA 1.597 63.851 62.300 -0.077 0.000 1.014 56 V CB -0.481 31.305 31.823 -0.062 0.000 0.645 56 V HN 0.359 nan 8.190 nan 0.000 0.447 57 L N -0.280 120.872 121.223 -0.119 0.000 2.056 57 L HA -0.153 4.188 4.340 0.001 0.000 0.207 57 L C 2.601 179.345 176.870 -0.210 0.000 1.078 57 L CA 1.815 56.560 54.840 -0.158 0.000 0.749 57 L CB -0.668 41.275 42.059 -0.194 0.000 0.901 57 L HN 0.422 nan 8.230 nan 0.000 0.433 58 E N 0.913 120.984 120.200 -0.214 0.000 2.051 58 E HA -0.244 4.107 4.350 0.001 0.000 0.192 58 E C 2.191 178.699 176.600 -0.152 0.000 0.991 58 E CA 1.243 57.516 56.400 -0.212 0.000 0.799 58 E CB -0.003 29.595 29.700 -0.170 0.000 0.748 58 E HN 0.441 nan 8.360 nan 0.000 0.449 59 A N 0.701 123.448 122.820 -0.122 0.000 2.125 59 A HA -0.150 4.171 4.320 0.001 0.000 0.219 59 A C 1.146 178.662 177.584 -0.114 0.000 1.156 59 A CA 1.561 53.537 52.037 -0.102 0.000 0.671 59 A CB -0.050 18.900 19.000 -0.083 0.000 0.794 59 A HN 0.211 nan 8.150 nan 0.000 0.459 60 D N -1.211 119.115 120.400 -0.124 0.000 2.440 60 D HA 0.247 4.887 4.640 0.001 0.000 0.216 60 D C 1.428 177.649 176.300 -0.130 0.000 1.150 60 D CA -0.060 53.866 54.000 -0.122 0.000 0.832 60 D CB 0.303 41.054 40.800 -0.082 0.000 0.992 60 D HN 0.384 nan 8.370 nan 0.000 0.502 61 L N 0.667 121.807 121.223 -0.140 0.000 2.049 61 L HA 0.013 4.353 4.340 0.001 0.000 0.203 61 L C -0.489 176.321 176.870 -0.100 0.000 1.074 61 L CA 1.109 55.887 54.840 -0.103 0.000 0.749 61 L CB -1.124 40.864 42.059 -0.118 0.000 0.907 61 L HN -0.029 nan 8.230 nan 0.000 0.439 62 P HA -0.127 nan 4.420 nan 0.000 0.215 62 P C 0.082 177.150 177.300 -0.387 0.000 1.157 62 P CA 1.201 64.205 63.100 -0.159 0.000 0.863 62 P CB -0.102 31.518 31.700 -0.134 0.000 0.787 63 N N -0.109 118.326 118.700 -0.442 0.000 3.103 63 N HA 0.082 4.823 4.740 0.001 0.000 0.305 63 N C -1.028 174.133 175.510 -0.583 0.000 1.232 63 N CA -0.064 52.521 53.050 -0.776 0.000 1.190 63 N CB -1.660 36.583 38.487 -0.407 0.000 1.461 63 N HN 0.156 nan 8.380 nan 0.000 0.538 64 Y N -1.349 118.960 120.300 0.016 0.000 2.685 64 Y HA -0.355 4.196 4.550 0.001 0.000 0.073 64 Y C 1.367 177.289 175.900 0.037 0.000 1.831 64 Y CA -0.088 58.029 58.100 0.027 0.000 1.271 64 Y CB -0.683 37.792 38.460 0.024 0.000 1.918 64 Y HN 0.329 nan 8.280 nan 0.000 0.284 65 K N 1.515 122.019 120.400 0.172 0.000 1.967 65 K HA -0.182 4.139 4.320 0.001 0.000 0.212 65 K C 1.961 178.670 176.600 0.181 0.000 1.044 65 K CA 1.478 57.868 56.287 0.171 0.000 0.942 65 K CB -0.237 32.379 32.500 0.194 0.000 0.726 65 K HN 0.652 nan 8.250 nan 0.000 0.440 66 S N 1.002 116.797 115.700 0.159 0.000 2.509 66 S HA -0.334 4.136 4.470 0.001 0.000 0.285 66 S C 1.752 176.417 174.600 0.108 0.000 1.185 66 S CA 2.263 60.534 58.200 0.118 0.000 1.152 66 S CB -0.453 62.802 63.200 0.091 0.000 1.088 66 S HN 0.251 nan 8.310 nan 0.000 0.446 67 K N 1.221 121.688 120.400 0.111 0.000 1.984 67 K HA 0.117 4.438 4.320 0.001 0.000 0.209 67 K C 1.756 178.417 176.600 0.102 0.000 1.046 67 K CA 1.426 57.768 56.287 0.091 0.000 0.934 67 K CB -0.593 31.958 32.500 0.086 0.000 0.717 67 K HN 0.476 nan 8.250 nan 0.000 0.438 68 I N 0.982 121.624 120.570 0.119 0.000 2.800 68 I HA -0.213 3.958 4.170 0.001 0.000 0.266 68 I C 1.796 178.038 176.117 0.209 0.000 1.249 68 I CA 0.286 61.666 61.300 0.133 0.000 1.458 68 I CB -0.295 37.758 38.000 0.088 0.000 1.093 68 I HN 0.136 nan 8.210 nan 0.000 0.466 69 L N 0.897 122.239 121.223 0.199 0.000 2.116 69 L HA 0.029 4.370 4.340 0.001 0.000 0.200 69 L C 2.438 179.382 176.870 0.123 0.000 1.084 69 L CA 1.548 56.480 54.840 0.154 0.000 0.766 69 L CB -0.481 41.646 42.059 0.114 0.000 0.930 69 L HN -0.020 nan 8.230 nan 0.000 0.453 70 R N -0.895 119.659 120.500 0.090 0.000 2.377 70 R HA -0.052 4.289 4.340 0.001 0.000 0.207 70 R C 1.918 178.248 176.300 0.051 0.000 1.075 70 R CA 0.684 56.820 56.100 0.060 0.000 1.035 70 R CB -0.161 30.164 30.300 0.041 0.000 0.857 70 R HN 0.380 nan 8.270 nan 0.000 0.475 71 L N -0.662 120.600 121.223 0.065 0.000 2.189 71 L HA -0.011 4.330 4.340 0.001 0.000 0.199 71 L C 1.910 178.802 176.870 0.036 0.000 1.074 71 L CA 0.582 55.449 54.840 0.046 0.000 0.783 71 L CB -0.068 42.027 42.059 0.059 0.000 0.955 71 L HN 0.163 nan 8.230 nan 0.000 0.460 72 L N -1.036 120.224 121.223 0.061 0.000 2.201 72 L HA -0.245 4.096 4.340 0.001 0.000 0.212 72 L C 2.573 179.490 176.870 0.079 0.000 1.105 72 L CA 0.726 55.590 54.840 0.039 0.000 0.775 72 L CB -0.369 41.628 42.059 -0.102 0.000 0.913 72 L HN 0.428 nan 8.230 nan 0.000 0.440 73 C N -0.733 118.666 119.300 0.164 0.000 2.440 73 C HA -0.136 4.325 4.460 0.001 0.000 0.278 73 C C 2.879 177.824 174.990 -0.073 0.000 1.295 73 C CA 1.408 60.478 59.018 0.088 0.000 1.738 73 C CB -0.801 26.979 27.740 0.067 0.000 1.987 73 C HN 0.556 nan 8.230 nan 0.000 0.492 74 T N 1.293 115.812 114.554 -0.058 0.000 2.708 74 T HA -0.140 4.211 4.350 0.001 0.000 0.266 74 T C 1.724 176.323 174.700 -0.169 0.000 1.037 74 T CA 1.776 63.821 62.100 -0.092 0.000 1.146 74 T CB -0.498 68.333 68.868 -0.060 0.000 0.865 74 T HN 0.395 nan 8.240 nan 0.000 0.435 75 V N 1.970 121.754 119.914 -0.217 0.000 2.688 75 V HA -0.115 4.005 4.120 0.001 0.000 0.256 75 V C 2.871 178.714 176.094 -0.419 0.000 1.084 75 V CA 1.303 63.374 62.300 -0.381 0.000 1.103 75 V CB -1.538 29.938 31.823 -0.579 0.000 0.688 75 V HN 0.541 nan 8.190 nan 0.000 0.480 76 A N 1.434 123.973 122.820 -0.467 0.000 1.968 76 A HA -0.146 4.175 4.320 0.001 0.000 0.217 76 A C 2.442 179.801 177.584 -0.375 0.000 1.169 76 A CA 1.670 53.230 52.037 -0.796 0.000 0.638 76 A CB -0.269 18.077 19.000 -1.091 0.000 0.812 76 A HN 0.728 nan 8.150 nan 0.000 0.446 77 R N -0.735 119.634 120.500 -0.218 0.000 2.072 77 R HA 0.280 4.621 4.340 0.001 0.000 0.214 77 R C 1.366 177.597 176.300 -0.115 0.000 1.168 77 R CA 0.761 56.823 56.100 -0.063 0.000 1.020 77 R CB -0.651 29.641 30.300 -0.014 0.000 0.914 77 R HN 0.314 nan 8.270 nan 0.000 0.449 78 L N 1.334 122.474 121.223 -0.137 0.000 2.627 78 L HA 0.233 4.574 4.340 0.001 0.000 0.233 78 L C 0.663 177.415 176.870 -0.196 0.000 1.144 78 L CA 0.304 55.057 54.840 -0.145 0.000 0.892 78 L CB 0.063 42.066 42.059 -0.094 0.000 1.039 78 L HN 0.171 nan 8.230 nan 0.000 0.442 79 L N -0.273 120.807 121.223 -0.238 0.000 2.574 79 L HA 0.237 4.578 4.340 0.001 0.000 0.258 79 L C -1.773 174.996 176.870 -0.168 0.000 1.520 79 L CA -0.920 53.794 54.840 -0.211 0.000 0.775 79 L CB 1.426 43.318 42.059 -0.280 0.000 1.028 79 L HN -0.111 nan 8.230 nan 0.000 0.516 80 P HA -0.189 nan 4.420 nan 0.000 0.215 80 P C 1.374 178.670 177.300 -0.007 0.000 1.157 80 P CA 1.066 64.061 63.100 -0.175 0.000 0.863 80 P CB 0.180 31.610 31.700 -0.450 0.000 0.787 81 E N 0.553 120.770 120.200 0.028 0.000 2.273 81 E HA -0.219 4.132 4.350 0.001 0.000 0.198 81 E C 1.019 177.723 176.600 0.174 0.000 1.002 81 E CA 1.537 58.027 56.400 0.151 0.000 0.828 81 E CB -0.627 29.180 29.700 0.179 0.000 0.747 81 E HN 0.155 nan 8.360 nan 0.000 0.491 82 K N 0.194 120.689 120.400 0.157 0.000 2.399 82 K HA 0.223 4.544 4.320 0.001 0.000 0.204 82 K C 1.174 177.977 176.600 0.339 0.000 1.023 82 K CA -0.270 56.173 56.287 0.260 0.000 1.127 82 K CB -0.072 32.643 32.500 0.359 0.000 0.856 82 K HN 0.029 nan 8.250 nan 0.000 0.514 83 L N 1.111 122.468 121.223 0.225 0.000 2.035 83 L HA -0.416 3.925 4.340 0.001 0.000 0.243 83 L C 1.930 178.941 176.870 0.235 0.000 1.100 83 L CA 2.910 57.886 54.840 0.227 0.000 0.835 83 L CB -1.401 40.644 42.059 -0.023 0.000 0.927 83 L HN 0.554 nan 8.230 nan 0.000 0.442 84 T N -2.160 112.465 114.554 0.119 0.000 2.714 84 T HA -0.313 4.038 4.350 0.001 0.000 0.268 84 T C 1.935 176.728 174.700 0.155 0.000 1.036 84 T CA 2.301 64.480 62.100 0.132 0.000 1.148 84 T CB -1.173 67.769 68.868 0.125 0.000 0.856 84 T HN 0.484 nan 8.240 nan 0.000 0.462 85 I N -0.266 120.392 120.570 0.148 0.000 2.226 85 I HA -0.128 4.043 4.170 0.001 0.000 0.245 85 I C 2.332 178.424 176.117 -0.041 0.000 1.100 85 I CA 1.681 62.999 61.300 0.030 0.000 1.374 85 I CB -0.351 37.617 38.000 -0.054 0.000 1.057 85 I HN 0.238 nan 8.210 nan 0.000 0.413 86 Y N 0.573 120.988 120.300 0.191 0.000 2.475 86 Y HA -0.147 4.404 4.550 0.001 0.000 0.289 86 Y C 2.890 178.963 175.900 0.288 0.000 1.121 86 Y CA 1.298 59.550 58.100 0.253 0.000 1.257 86 Y CB -0.636 38.018 38.460 0.322 0.000 1.026 86 Y HN 0.261 nan 8.280 nan 0.000 0.555 87 T N -3.757 110.928 114.554 0.217 0.000 2.821 87 T HA -0.170 4.181 4.350 0.001 0.000 0.267 87 T C 1.852 176.566 174.700 0.023 0.000 1.046 87 T CA 1.790 63.801 62.100 -0.147 0.000 1.139 87 T CB -0.871 67.754 68.868 -0.405 0.000 0.871 87 T HN 0.202 nan 8.240 nan 0.000 0.454 88 T N 2.404 117.040 114.554 0.136 0.000 2.708 88 T HA 0.016 4.367 4.350 0.001 0.000 0.266 88 T C 1.810 176.502 174.700 -0.013 0.000 1.037 88 T CA 1.212 63.401 62.100 0.147 0.000 1.146 88 T CB -0.607 68.422 68.868 0.268 0.000 0.865 88 T HN 0.225 nan 8.240 nan 0.000 0.435 89 L N 1.759 122.968 121.223 -0.023 0.000 1.990 89 L HA -0.111 4.229 4.340 0.001 0.000 0.213 89 L C 2.424 179.260 176.870 -0.057 0.000 1.072 89 L CA 1.724 56.517 54.840 -0.079 0.000 0.755 89 L CB -0.944 41.072 42.059 -0.071 0.000 0.889 89 L HN 0.121 nan 8.230 nan 0.000 0.432 90 V N 0.212 120.134 119.914 0.013 0.000 2.568 90 V HA -0.218 3.903 4.120 0.001 0.000 0.253 90 V C 2.554 178.653 176.094 0.008 0.000 1.072 90 V CA 1.554 63.856 62.300 0.003 0.000 1.084 90 V CB -1.831 30.005 31.823 0.022 0.000 0.676 90 V HN 0.665 nan 8.190 nan 0.000 0.469 91 G N 0.186 108.967 108.800 -0.031 0.000 2.464 91 G HA2 -0.163 3.798 3.960 0.001 0.000 0.214 91 G HA3 -0.163 3.798 3.960 0.001 0.000 0.214 91 G C 1.426 176.271 174.900 -0.091 0.000 1.218 91 G CA 0.605 45.671 45.100 -0.056 0.000 0.794 91 G HN 0.325 nan 8.290 nan 0.000 0.542 92 L N 0.040 121.146 121.223 -0.195 0.000 2.089 92 L HA -0.102 4.239 4.340 0.001 0.000 0.213 92 L C 2.915 179.695 176.870 -0.151 0.000 1.079 92 L CA 1.184 55.870 54.840 -0.257 0.000 0.758 92 L CB -1.143 40.671 42.059 -0.407 0.000 0.891 92 L HN 0.144 nan 8.230 nan 0.000 0.433 93 L N -0.596 120.559 121.223 -0.113 0.000 2.141 93 L HA -0.140 4.201 4.340 0.001 0.000 0.209 93 L C 2.253 179.135 176.870 0.019 0.000 1.094 93 L CA 1.287 56.066 54.840 -0.101 0.000 0.763 93 L CB -1.083 40.892 42.059 -0.140 0.000 0.908 93 L HN 0.291 nan 8.230 nan 0.000 0.437 94 N N 0.002 118.744 118.700 0.071 0.000 2.106 94 N HA -0.080 4.661 4.740 0.001 0.000 0.188 94 N C 1.337 176.913 175.510 0.110 0.000 1.029 94 N CA 1.194 54.322 53.050 0.130 0.000 0.848 94 N CB -0.114 38.448 38.487 0.125 0.000 1.007 94 N HN 0.266 nan 8.380 nan 0.000 0.423 95 A N -0.389 122.456 122.820 0.041 0.000 2.324 95 A HA 0.211 4.532 4.320 0.001 0.000 0.240 95 A C 1.214 178.801 177.584 0.004 0.000 1.347 95 A CA 0.189 52.240 52.037 0.023 0.000 1.036 95 A CB -0.323 18.661 19.000 -0.026 0.000 0.917 95 A HN 0.311 nan 8.150 nan 0.000 0.519 96 R N -1.857 118.654 120.500 0.019 0.000 2.658 96 R HA 0.122 4.463 4.340 0.001 0.000 0.223 96 R C -0.379 175.936 176.300 0.026 0.000 0.985 96 R CA 0.262 56.359 56.100 -0.004 0.000 1.290 96 R CB 0.434 30.700 30.300 -0.058 0.000 1.723 96 R HN 0.491 nan 8.270 nan 0.000 0.527 97 N N 0.215 118.961 118.700 0.076 0.000 2.793 97 N HA 0.038 4.779 4.740 0.001 0.000 0.251 97 N C -0.226 175.429 175.510 0.242 0.000 1.308 97 N CA -0.199 52.932 53.050 0.135 0.000 0.781 97 N CB 0.539 39.072 38.487 0.077 0.000 1.439 97 N HN 0.008 nan 8.380 nan 0.000 0.562 98 Y N 3.449 123.834 120.300 0.141 0.000 2.040 98 Y HA -0.263 4.288 4.550 0.001 0.000 0.275 98 Y C 1.627 177.684 175.900 0.262 0.000 1.171 98 Y CA 2.020 60.241 58.100 0.202 0.000 1.123 98 Y CB -0.077 38.447 38.460 0.108 0.000 0.963 98 Y HN 0.596 nan 8.280 nan 0.000 0.493 99 N N -0.315 118.576 118.700 0.319 0.000 2.503 99 N HA -0.223 4.518 4.740 0.001 0.000 0.189 99 N C 1.602 177.199 175.510 0.145 0.000 1.048 99 N CA 1.456 54.631 53.050 0.209 0.000 0.905 99 N CB -0.524 38.092 38.487 0.215 0.000 0.951 99 N HN 0.427 nan 8.380 nan 0.000 0.446 100 F N 1.270 121.227 119.950 0.012 0.000 2.147 100 F HA 0.151 4.679 4.527 0.001 0.000 0.291 100 F C 2.396 178.167 175.800 -0.049 0.000 1.093 100 F CA 1.135 59.127 58.000 -0.014 0.000 1.263 100 F CB -0.793 38.192 39.000 -0.026 0.000 1.036 100 F HN -0.088 nan 8.300 nan 0.000 0.481 101 G N -0.286 108.462 108.800 -0.088 0.000 2.475 101 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 101 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 101 G C 1.854 176.398 174.900 -0.593 0.000 1.125 101 G CA 0.766 45.692 45.100 -0.291 0.000 0.755 101 G HN 0.630 nan 8.290 nan 0.000 0.565 102 G N 0.079 108.522 108.800 -0.595 0.000 2.448 102 G HA2 -0.004 3.957 3.960 0.001 0.000 0.218 102 G HA3 -0.004 3.957 3.960 0.001 0.000 0.218 102 G C 1.533 176.292 174.900 -0.234 0.000 1.135 102 G CA 0.785 45.613 45.100 -0.455 0.000 0.784 102 G HN 0.531 nan 8.290 nan 0.000 0.543 103 E N -1.056 119.020 120.200 -0.207 0.000 2.447 103 E HA 0.153 4.504 4.350 0.001 0.000 0.195 103 E C 1.618 178.115 176.600 -0.171 0.000 1.028 103 E CA -0.372 55.938 56.400 -0.150 0.000 0.876 103 E CB 0.077 29.715 29.700 -0.102 0.000 0.885 103 E HN 0.391 nan 8.360 nan 0.000 0.500 104 F N 0.658 120.333 119.950 -0.458 0.000 2.179 104 F HA -0.070 4.457 4.527 0.001 0.000 0.292 104 F C 1.821 177.469 175.800 -0.254 0.000 1.089 104 F CA 0.845 58.592 58.000 -0.422 0.000 1.295 104 F CB -0.309 38.372 39.000 -0.532 0.000 1.041 104 F HN -0.219 nan 8.300 nan 0.000 0.487 105 V N 0.572 120.263 119.914 -0.372 0.000 2.759 105 V HA -0.171 3.950 4.120 0.001 0.000 0.256 105 V C 2.319 178.246 176.094 -0.278 0.000 1.080 105 V CA 1.660 63.716 62.300 -0.407 0.000 1.101 105 V CB -0.633 31.006 31.823 -0.307 0.000 0.698 105 V HN 0.270 nan 8.190 nan 0.000 0.477 106 E N 0.306 120.380 120.200 -0.209 0.000 2.152 106 E HA -0.087 4.264 4.350 0.001 0.000 0.192 106 E C 2.287 178.814 176.600 -0.122 0.000 0.983 106 E CA 1.309 57.633 56.400 -0.126 0.000 0.818 106 E CB -0.109 29.539 29.700 -0.087 0.000 0.758 106 E HN 0.593 nan 8.360 nan 0.000 0.467 107 A N 1.062 123.783 122.820 -0.166 0.000 1.843 107 A HA -0.101 4.220 4.320 0.001 0.000 0.213 107 A C 2.156 179.629 177.584 -0.186 0.000 1.202 107 A CA 0.934 52.887 52.037 -0.140 0.000 0.607 107 A CB -0.353 18.584 19.000 -0.106 0.000 0.847 107 A HN 0.085 nan 8.150 nan 0.000 0.445 108 M N 0.272 119.666 119.600 -0.343 0.000 2.471 108 M HA -0.226 4.255 4.480 0.001 0.000 0.260 108 M C 2.123 178.325 176.300 -0.163 0.000 1.065 108 M CA 1.762 56.865 55.300 -0.327 0.000 1.075 108 M CB -1.422 30.892 32.600 -0.478 0.000 1.258 108 M HN 0.370 nan 8.290 nan 0.000 0.457 109 I N -0.732 119.759 120.570 -0.130 0.000 2.151 109 I HA -0.303 3.868 4.170 0.001 0.000 0.243 109 I C 2.501 178.635 176.117 0.028 0.000 1.080 109 I CA 1.570 62.854 61.300 -0.028 0.000 1.339 109 I CB -1.444 36.562 38.000 0.010 0.000 1.039 109 I HN 0.440 nan 8.210 nan 0.000 0.409 110 R N 0.513 121.010 120.500 -0.005 0.000 2.105 110 R HA -0.256 4.085 4.340 0.001 0.000 0.239 110 R C 2.363 178.663 176.300 0.001 0.000 1.135 110 R CA 1.879 57.984 56.100 0.008 0.000 0.967 110 R CB -0.125 30.165 30.300 -0.016 0.000 0.861 110 R HN 0.405 nan 8.270 nan 0.000 0.442 111 Q N 0.299 120.081 119.800 -0.029 0.000 2.016 111 Q HA -0.169 4.172 4.340 0.001 0.000 0.200 111 Q C 1.905 177.896 176.000 -0.015 0.000 0.978 111 Q CA 1.513 57.296 55.803 -0.034 0.000 0.833 111 Q CB -0.374 28.326 28.738 -0.064 0.000 0.895 111 Q HN 0.309 nan 8.270 nan 0.000 0.427 112 L N 0.865 122.090 121.223 0.003 0.000 2.079 112 L HA -0.139 4.202 4.340 0.001 0.000 0.210 112 L C 1.773 178.697 176.870 0.090 0.000 1.081 112 L CA 1.912 56.780 54.840 0.045 0.000 0.752 112 L CB -0.485 41.609 42.059 0.060 0.000 0.896 112 L HN 0.194 nan 8.230 nan 0.000 0.433 113 K N -0.773 119.696 120.400 0.115 0.000 2.283 113 K HA -0.123 4.198 4.320 0.001 0.000 0.202 113 K C 1.801 178.424 176.600 0.038 0.000 1.048 113 K CA 1.113 57.479 56.287 0.131 0.000 0.948 113 K CB 0.106 32.682 32.500 0.126 0.000 0.742 113 K HN 0.523 nan 8.250 nan 0.000 0.458 114 E N -0.397 119.802 120.200 -0.001 0.000 2.216 114 E HA -0.012 4.339 4.350 0.001 0.000 0.192 114 E C 1.830 178.380 176.600 -0.084 0.000 0.973 114 E CA 0.237 56.615 56.400 -0.037 0.000 0.851 114 E CB 0.380 30.060 29.700 -0.034 0.000 0.804 114 E HN 0.113 nan 8.360 nan 0.000 0.477 115 S N 1.499 117.140 115.700 -0.098 0.000 2.348 115 S HA -0.140 4.331 4.470 0.001 0.000 0.221 115 S C 2.080 176.475 174.600 -0.341 0.000 1.033 115 S CA 0.930 59.021 58.200 -0.182 0.000 1.010 115 S CB -0.277 62.832 63.200 -0.152 0.000 0.891 115 S HN 0.197 nan 8.310 nan 0.000 0.442 116 L N 1.853 122.870 121.223 -0.343 0.000 2.042 116 L HA -0.193 4.148 4.340 0.001 0.000 0.210 116 L C 2.548 179.209 176.870 -0.350 0.000 1.076 116 L CA 1.706 56.221 54.840 -0.541 0.000 0.749 116 L CB -0.790 41.159 42.059 -0.183 0.000 0.893 116 L HN 0.446 nan 8.230 nan 0.000 0.432 117 K N 0.959 121.255 120.400 -0.173 0.000 2.148 117 K HA -0.075 4.246 4.320 0.001 0.000 0.204 117 K C 1.898 178.414 176.600 -0.141 0.000 1.050 117 K CA 1.372 57.590 56.287 -0.115 0.000 0.942 117 K CB -0.266 32.194 32.500 -0.066 0.000 0.724 117 K HN 0.177 nan 8.250 nan 0.000 0.446 118 A N 1.301 124.018 122.820 -0.172 0.000 2.208 118 A HA 0.039 4.359 4.320 0.001 0.000 0.209 118 A C -0.028 177.439 177.584 -0.195 0.000 1.161 118 A CA 0.223 52.168 52.037 -0.153 0.000 0.782 118 A CB -0.374 18.548 19.000 -0.131 0.000 0.816 118 A HN 0.553 nan 8.150 nan 0.000 0.477 119 N N -0.033 118.483 118.700 -0.307 0.000 2.816 119 N HA -0.139 4.602 4.740 0.001 0.000 0.247 119 N C -0.806 174.473 175.510 -0.385 0.000 1.100 119 N CA 0.824 53.667 53.050 -0.345 0.000 0.687 119 N CB -1.969 36.438 38.487 -0.132 0.000 1.003 119 N HN 0.770 nan 8.380 nan 0.000 0.554 120 N N 0.327 118.721 118.700 -0.510 0.000 3.324 120 N HA 0.115 4.856 4.740 0.001 0.000 0.302 120 N C 0.518 175.757 175.510 -0.452 0.000 1.360 120 N CA -0.285 52.561 53.050 -0.341 0.000 1.190 120 N CB 0.066 38.426 38.487 -0.212 0.000 1.462 120 N HN 0.250 nan 8.380 nan 0.000 0.532 121 Y N 0.664 120.717 120.300 -0.411 0.000 2.333 121 Y HA -0.144 4.407 4.550 0.001 0.000 0.290 121 Y C 2.113 177.898 175.900 -0.193 0.000 1.144 121 Y CA 0.843 58.579 58.100 -0.606 0.000 1.228 121 Y CB -0.072 37.671 38.460 -1.195 0.000 0.985 121 Y HN 0.412 nan 8.280 nan 0.000 0.542 122 N N 0.171 118.838 118.700 -0.056 0.000 2.188 122 N HA -0.190 4.551 4.740 0.001 0.000 0.184 122 N C 1.826 177.125 175.510 -0.351 0.000 1.018 122 N CA 1.370 54.370 53.050 -0.083 0.000 0.858 122 N CB -0.200 38.254 38.487 -0.055 0.000 0.989 122 N HN 0.558 nan 8.380 nan 0.000 0.426 123 E N 1.084 121.184 120.200 -0.167 0.000 2.076 123 E HA -0.005 4.346 4.350 0.001 0.000 0.190 123 E C 1.947 178.528 176.600 -0.031 0.000 0.979 123 E CA 0.663 57.047 56.400 -0.026 0.000 0.807 123 E CB 0.012 29.749 29.700 0.061 0.000 0.761 123 E HN 0.239 nan 8.360 nan 0.000 0.454 124 A N 0.716 123.526 122.820 -0.018 0.000 1.948 124 A HA -0.164 4.157 4.320 0.001 0.000 0.220 124 A C 2.350 180.100 177.584 0.275 0.000 1.177 124 A CA 1.520 53.632 52.037 0.123 0.000 0.636 124 A CB -0.728 18.318 19.000 0.077 0.000 0.815 124 A HN 0.245 nan 8.150 nan 0.000 0.449 125 V N -1.174 118.911 119.914 0.285 0.000 2.720 125 V HA -0.247 3.873 4.120 0.001 0.000 0.256 125 V C 2.264 178.436 176.094 0.131 0.000 1.082 125 V CA 1.630 64.068 62.300 0.230 0.000 1.101 125 V CB -1.121 30.840 31.823 0.230 0.000 0.693 125 V HN 0.664 nan 8.190 nan 0.000 0.479 126 Y N -0.265 120.156 120.300 0.202 0.000 2.263 126 Y HA -0.066 4.485 4.550 0.001 0.000 0.292 126 Y C 2.181 178.146 175.900 0.107 0.000 1.130 126 Y CA 0.596 58.768 58.100 0.120 0.000 1.179 126 Y CB -0.765 37.740 38.460 0.075 0.000 0.998 126 Y HN 0.157 nan 8.280 nan 0.000 0.532 127 L N -1.178 120.184 121.223 0.231 0.000 1.961 127 L HA -0.224 4.117 4.340 0.001 0.000 0.210 127 L C 2.384 179.354 176.870 0.166 0.000 1.072 127 L CA 1.278 56.209 54.840 0.152 0.000 0.749 127 L CB -1.254 40.856 42.059 0.085 0.000 0.889 127 L HN 0.003 nan 8.230 nan 0.000 0.432 128 V N 0.020 120.026 119.914 0.153 0.000 2.313 128 V HA -0.386 3.734 4.120 0.001 0.000 0.253 128 V C 2.707 178.875 176.094 0.122 0.000 1.070 128 V CA 2.239 64.611 62.300 0.120 0.000 1.057 128 V CB -0.732 31.224 31.823 0.223 0.000 0.653 128 V HN 0.436 nan 8.190 nan 0.000 0.450 129 R N -1.617 118.970 120.500 0.144 0.000 2.115 129 R HA -0.137 4.204 4.340 0.001 0.000 0.230 129 R C 2.135 178.426 176.300 -0.016 0.000 1.111 129 R CA 1.564 57.698 56.100 0.056 0.000 0.976 129 R CB -0.232 30.062 30.300 -0.011 0.000 0.870 129 R HN 0.550 nan 8.270 nan 0.000 0.445 130 F N 0.699 120.612 119.950 -0.062 0.000 2.053 130 F HA -0.124 4.404 4.527 0.001 0.000 0.292 130 F C 1.889 177.664 175.800 -0.042 0.000 1.125 130 F CA 1.355 59.325 58.000 -0.049 0.000 1.193 130 F CB -0.273 38.728 39.000 0.001 0.000 0.996 130 F HN -0.091 nan 8.300 nan 0.000 0.470 131 L N -0.414 120.880 121.223 0.118 0.000 2.034 131 L HA -0.369 3.972 4.340 0.001 0.000 0.217 131 L C 2.537 179.339 176.870 -0.114 0.000 1.077 131 L CA 1.718 56.539 54.840 -0.032 0.000 0.769 131 L CB -1.208 40.795 42.059 -0.093 0.000 0.890 131 L HN 0.168 nan 8.230 nan 0.000 0.435 132 S N -0.392 115.256 115.700 -0.087 0.000 2.359 132 S HA -0.285 4.186 4.470 0.001 0.000 0.222 132 S C 1.647 176.221 174.600 -0.043 0.000 1.038 132 S CA 1.931 60.103 58.200 -0.048 0.000 1.051 132 S CB -0.415 62.847 63.200 0.102 0.000 0.944 132 S HN 0.484 nan 8.310 nan 0.000 0.433 133 D N 0.985 121.339 120.400 -0.076 0.000 2.158 133 D HA -0.088 4.553 4.640 0.001 0.000 0.197 133 D C 1.783 177.985 176.300 -0.163 0.000 0.995 133 D CA 0.823 54.781 54.000 -0.069 0.000 0.846 133 D CB -0.305 40.394 40.800 -0.168 0.000 0.941 133 D HN 0.294 nan 8.370 nan 0.000 0.456 134 L N -0.420 120.662 121.223 -0.235 0.000 2.197 134 L HA -0.202 4.139 4.340 0.001 0.000 0.215 134 L C 2.348 179.116 176.870 -0.171 0.000 1.095 134 L CA 0.462 55.175 54.840 -0.212 0.000 0.764 134 L CB -0.291 41.688 42.059 -0.135 0.000 0.897 134 L HN 0.083 nan 8.230 nan 0.000 0.436 135 V N 0.085 119.915 119.914 -0.140 0.000 2.490 135 V HA -0.272 3.849 4.120 0.001 0.000 0.250 135 V C 1.570 177.565 176.094 -0.164 0.000 1.061 135 V CA 2.191 64.413 62.300 -0.129 0.000 1.064 135 V CB -0.753 31.013 31.823 -0.095 0.000 0.670 135 V HN 0.632 nan 8.190 nan 0.000 0.461 136 N N -1.095 117.513 118.700 -0.154 0.000 2.398 136 N HA -0.013 4.728 4.740 0.001 0.000 0.188 136 N C 0.926 176.227 175.510 -0.348 0.000 1.122 136 N CA 0.543 53.512 53.050 -0.135 0.000 0.866 136 N CB -0.017 38.518 38.487 0.080 0.000 0.970 136 N HN 0.428 nan 8.380 nan 0.000 0.462 137 C N 0.150 119.203 119.300 -0.413 0.000 2.884 137 C HA 0.245 4.705 4.460 0.001 0.000 0.287 137 C C -0.109 174.895 174.990 0.022 0.000 1.310 137 C CA -0.640 58.129 59.018 -0.414 0.000 1.725 137 C CB -1.865 25.577 27.740 -0.497 0.000 2.060 137 C HN 0.480 nan 8.230 nan 0.000 0.618 138 H N -0.421 118.561 119.070 -0.148 0.000 2.604 138 H HA -0.111 4.445 4.556 0.001 0.000 0.324 138 H C 0.595 175.914 175.328 -0.015 0.000 1.068 138 H CA 0.798 56.814 56.048 -0.054 0.000 1.091 138 H CB -1.555 28.192 29.762 -0.026 0.000 1.611 138 H HN 0.364 nan 8.280 nan 0.000 0.387 139 V N -0.787 119.164 119.914 0.060 0.000 3.177 139 V HA 0.223 4.344 4.120 0.001 0.000 0.220 139 V C 1.037 177.200 176.094 0.115 0.000 1.395 139 V CA 0.645 63.007 62.300 0.104 0.000 1.317 139 V CB 0.737 32.587 31.823 0.045 0.000 1.148 139 V HN 0.306 nan 8.190 nan 0.000 0.499 140 I N 0.917 121.497 120.570 0.016 0.000 2.530 140 I HA 0.675 4.846 4.170 0.001 0.000 0.297 140 I C 0.263 176.359 176.117 -0.035 0.000 1.011 140 I CA -0.798 60.500 61.300 -0.003 0.000 1.107 140 I CB 1.842 39.803 38.000 -0.065 0.000 1.285 140 I HN 0.188 nan 8.210 nan 0.000 0.436 141 A N 4.250 127.056 122.820 -0.024 0.000 2.491 141 A HA 0.409 4.730 4.320 0.001 0.000 0.261 141 A C 1.364 178.907 177.584 -0.068 0.000 1.101 141 A CA 0.415 52.426 52.037 -0.043 0.000 0.772 141 A CB 0.356 19.341 19.000 -0.025 0.000 1.043 141 A HN 1.017 nan 8.150 nan 0.000 0.501 142 A N 4.801 127.574 122.820 -0.079 0.000 1.909 142 A HA -0.181 4.140 4.320 0.001 0.000 0.221 142 A C -0.132 177.415 177.584 -0.061 0.000 1.223 142 A CA 2.467 54.458 52.037 -0.077 0.000 0.658 142 A CB -1.738 17.214 19.000 -0.080 0.000 0.831 142 A HN 0.638 nan 8.150 nan 0.000 0.462 143 P HA -0.081 nan 4.420 nan 0.000 0.215 143 P C 1.886 179.156 177.300 -0.049 0.000 1.157 143 P CA 1.579 64.656 63.100 -0.039 0.000 0.859 143 P CB -0.176 31.504 31.700 -0.034 0.000 0.786 144 S N -1.187 114.479 115.700 -0.057 0.000 2.399 144 S HA -0.275 4.195 4.470 0.001 0.000 0.235 144 S C 1.899 176.423 174.600 -0.127 0.000 1.063 144 S CA 1.848 60.007 58.200 -0.069 0.000 1.070 144 S CB -0.725 62.440 63.200 -0.058 0.000 0.904 144 S HN -0.077 nan 8.310 nan 0.000 0.456 145 M N 0.803 120.296 119.600 -0.178 0.000 2.200 145 M HA 0.121 4.601 4.480 0.001 0.000 0.265 145 M C 1.854 177.938 176.300 -0.360 0.000 1.066 145 M CA 1.190 56.276 55.300 -0.358 0.000 1.127 145 M CB -0.591 31.784 32.600 -0.374 0.000 1.379 145 M HN 0.212 nan 8.290 nan 0.000 0.420 146 V N 0.173 120.033 119.914 -0.090 0.000 2.626 146 V HA -0.199 3.922 4.120 0.001 0.000 0.252 146 V C 2.508 178.634 176.094 0.053 0.000 1.067 146 V CA 1.422 63.785 62.300 0.105 0.000 1.081 146 V CB -1.764 30.134 31.823 0.126 0.000 0.686 146 V HN 0.554 nan 8.190 nan 0.000 0.468 147 A N -0.160 122.649 122.820 -0.018 0.000 1.873 147 A HA -0.308 4.013 4.320 0.001 0.000 0.218 147 A C 2.306 179.900 177.584 0.017 0.000 1.193 147 A CA 2.585 54.623 52.037 0.002 0.000 0.629 147 A CB -0.500 18.494 19.000 -0.010 0.000 0.826 147 A HN 0.486 nan 8.150 nan 0.000 0.447 148 M N -1.972 117.592 119.600 -0.060 0.000 2.123 148 M HA -0.054 4.427 4.480 0.001 0.000 0.263 148 M C 1.815 178.106 176.300 -0.016 0.000 1.069 148 M CA 1.630 56.903 55.300 -0.044 0.000 1.133 148 M CB -0.247 32.199 32.600 -0.256 0.000 1.356 148 M HN 0.349 nan 8.290 nan 0.000 0.415 149 F N 1.703 121.525 119.950 -0.213 0.000 2.184 149 F HA -0.259 4.269 4.527 0.001 0.000 0.301 149 F C 2.198 177.929 175.800 -0.116 0.000 1.076 149 F CA 1.556 59.446 58.000 -0.184 0.000 1.295 149 F CB -1.016 37.976 39.000 -0.013 0.000 1.026 149 F HN 0.349 nan 8.300 nan 0.000 0.494 150 E N -0.510 119.772 120.200 0.135 0.000 2.072 150 E HA -0.177 4.174 4.350 0.001 0.000 0.191 150 E C 2.005 178.652 176.600 0.078 0.000 0.985 150 E CA 0.943 57.376 56.400 0.055 0.000 0.801 150 E CB -0.253 29.479 29.700 0.054 0.000 0.750 150 E HN 0.393 nan 8.360 nan 0.000 0.452 151 N N 0.190 118.982 118.700 0.152 0.000 2.289 151 N HA -0.116 4.625 4.740 0.001 0.000 0.184 151 N C 1.560 177.190 175.510 0.199 0.000 1.016 151 N CA 0.821 53.976 53.050 0.175 0.000 0.872 151 N CB -0.085 38.565 38.487 0.271 0.000 0.973 151 N HN 0.077 nan 8.380 nan 0.000 0.433 152 F N 1.091 121.050 119.950 0.015 0.000 2.146 152 F HA -0.054 4.473 4.527 0.001 0.000 0.298 152 F C 2.358 178.090 175.800 -0.112 0.000 1.096 152 F CA 0.465 58.459 58.000 -0.010 0.000 1.275 152 F CB -0.683 38.443 39.000 0.210 0.000 1.008 152 F HN -0.203 nan 8.300 nan 0.000 0.480 153 V N -1.943 117.988 119.914 0.028 0.000 2.488 153 V HA -0.167 3.953 4.120 0.001 0.000 0.246 153 V C 2.360 178.375 176.094 -0.132 0.000 1.046 153 V CA 1.589 63.818 62.300 -0.118 0.000 1.053 153 V CB -0.735 30.965 31.823 -0.205 0.000 0.679 153 V HN 0.262 nan 8.190 nan 0.000 0.458 154 S N -0.123 115.527 115.700 -0.083 0.000 2.493 154 S HA -0.127 4.344 4.470 0.001 0.000 0.243 154 S C 1.742 176.262 174.600 -0.133 0.000 0.991 154 S CA 1.036 59.184 58.200 -0.087 0.000 0.957 154 S CB -0.230 62.945 63.200 -0.042 0.000 0.756 154 S HN 0.416 nan 8.310 nan 0.000 0.521 155 V N 1.384 121.181 119.914 -0.195 0.000 3.041 155 V HA -0.053 4.068 4.120 0.001 0.000 0.260 155 V C 2.542 178.502 176.094 -0.223 0.000 1.105 155 V CA 1.671 63.838 62.300 -0.222 0.000 1.125 155 V CB -1.063 30.554 31.823 -0.343 0.000 0.730 155 V HN 0.759 nan 8.190 nan 0.000 0.479 156 T N -2.502 111.872 114.554 -0.299 0.000 3.163 156 T HA -0.127 4.224 4.350 0.001 0.000 0.260 156 T C 1.519 176.085 174.700 -0.223 0.000 1.156 156 T CA 0.924 62.765 62.100 -0.432 0.000 1.072 156 T CB -0.091 68.303 68.868 -0.789 0.000 0.937 156 T HN 0.378 nan 8.240 nan 0.000 0.528 157 Q N 0.672 120.382 119.800 -0.151 0.000 2.396 157 Q HA 0.344 4.685 4.340 0.001 0.000 0.209 157 Q C 0.728 176.685 176.000 -0.070 0.000 0.906 157 Q CA 0.078 55.830 55.803 -0.086 0.000 0.927 157 Q CB 0.267 28.965 28.738 -0.066 0.000 1.069 157 Q HN 0.747 nan 8.270 nan 0.000 0.523 158 E N 1.137 121.286 120.200 -0.086 0.000 2.415 158 E HA -0.036 4.315 4.350 0.001 0.000 0.262 158 E C -0.540 176.029 176.600 -0.052 0.000 1.038 158 E CA 0.055 56.417 56.400 -0.062 0.000 0.921 158 E CB 0.583 30.244 29.700 -0.065 0.000 0.950 158 E HN 0.046 nan 8.360 nan 0.000 0.438 159 E N 2.555 122.736 120.200 -0.032 0.000 2.242 159 E HA 0.097 4.448 4.350 0.001 0.000 0.275 159 E C -0.757 175.832 176.600 -0.017 0.000 1.002 159 E CA -0.444 55.942 56.400 -0.024 0.000 0.841 159 E CB 0.906 30.598 29.700 -0.014 0.000 1.109 159 E HN 0.493 nan 8.360 nan 0.000 0.394 160 D N 0.383 120.769 120.400 -0.023 0.000 2.904 160 D HA -0.145 4.495 4.640 0.001 0.000 0.231 160 D C -0.677 175.608 176.300 -0.025 0.000 1.185 160 D CA 0.765 54.755 54.000 -0.017 0.000 0.783 160 D CB -1.137 39.669 40.800 0.009 0.000 0.961 160 D HN 0.253 nan 8.370 nan 0.000 0.409 161 V N -2.296 117.552 119.914 -0.110 0.000 2.777 161 V HA 0.629 4.750 4.120 0.001 0.000 0.306 161 V C -2.618 173.269 176.094 -0.344 0.000 1.112 161 V CA -2.092 60.038 62.300 -0.283 0.000 0.917 161 V CB 2.313 33.970 31.823 -0.278 0.000 1.018 161 V HN -0.161 nan 8.190 nan 0.000 0.426 162 P HA 0.054 nan 4.420 nan 0.000 0.261 162 P C 0.879 177.960 177.300 -0.365 0.000 1.183 162 P CA 0.414 63.279 63.100 -0.391 0.000 0.761 162 P CB 0.599 32.039 31.700 -0.433 0.000 0.785 163 Q N 3.686 123.361 119.800 -0.209 0.000 2.217 163 Q HA -0.211 4.129 4.340 0.001 0.000 0.209 163 Q C 1.448 177.376 176.000 -0.121 0.000 0.988 163 Q CA 2.202 57.947 55.803 -0.097 0.000 0.878 163 Q CB -0.300 28.405 28.738 -0.056 0.000 0.909 163 Q HN 0.389 nan 8.270 nan 0.000 0.424 164 V N -0.854 118.924 119.914 -0.226 0.000 2.332 164 V HA -0.307 3.814 4.120 0.001 0.000 0.248 164 V C 2.493 178.412 176.094 -0.291 0.000 1.055 164 V CA 2.292 64.463 62.300 -0.215 0.000 1.038 164 V CB -1.183 30.508 31.823 -0.220 0.000 0.651 164 V HN 0.403 nan 8.190 nan 0.000 0.450 165 R N 0.662 120.745 120.500 -0.694 0.000 2.073 165 R HA -0.163 4.178 4.340 0.001 0.000 0.234 165 R C 2.639 178.884 176.300 -0.092 0.000 1.134 165 R CA 1.987 57.649 56.100 -0.729 0.000 0.952 165 R CB -0.265 29.400 30.300 -1.059 0.000 0.850 165 R HN 0.556 nan 8.270 nan 0.000 0.433 166 R N 0.506 120.938 120.500 -0.113 0.000 2.082 166 R HA -0.123 4.217 4.340 0.001 0.000 0.234 166 R C 2.027 178.375 176.300 0.080 0.000 1.136 166 R CA 1.741 57.801 56.100 -0.067 0.000 0.935 166 R CB -0.643 29.542 30.300 -0.191 0.000 0.842 166 R HN 0.306 nan 8.270 nan 0.000 0.430 167 D N -0.022 120.486 120.400 0.180 0.000 2.191 167 D HA -0.234 4.407 4.640 0.001 0.000 0.195 167 D C 1.452 177.911 176.300 0.264 0.000 1.003 167 D CA 1.136 55.273 54.000 0.229 0.000 0.867 167 D CB -0.364 40.544 40.800 0.179 0.000 0.926 167 D HN 0.325 nan 8.370 nan 0.000 0.450 168 W N 0.662 122.004 121.300 0.071 0.000 2.381 168 W HA -0.238 4.422 4.660 0.001 0.000 0.321 168 W C 2.199 178.807 176.519 0.148 0.000 1.196 168 W CA 1.303 58.701 57.345 0.087 0.000 1.304 168 W CB -0.983 28.393 29.460 -0.141 0.000 1.166 168 W HN -0.065 nan 8.180 nan 0.000 0.473 169 Y N 0.430 120.751 120.300 0.036 0.000 2.173 169 Y HA -0.327 4.224 4.550 0.001 0.000 0.282 169 Y C 2.453 178.275 175.900 -0.130 0.000 1.192 169 Y CA 2.330 60.251 58.100 -0.299 0.000 1.176 169 Y CB -1.276 37.076 38.460 -0.179 0.000 0.969 169 Y HN -0.162 nan 8.280 nan 0.000 0.519 170 V N -1.447 118.540 119.914 0.123 0.000 2.548 170 V HA -0.285 3.836 4.120 0.001 0.000 0.249 170 V C 1.884 178.068 176.094 0.150 0.000 1.055 170 V CA 1.725 64.114 62.300 0.150 0.000 1.065 170 V CB -0.949 30.971 31.823 0.162 0.000 0.681 170 V HN 0.406 nan 8.190 nan 0.000 0.462 171 Y N 1.811 122.086 120.300 -0.042 0.000 2.109 171 Y HA -0.176 4.375 4.550 0.001 0.000 0.285 171 Y C 2.502 178.335 175.900 -0.111 0.000 1.131 171 Y CA 1.471 59.547 58.100 -0.040 0.000 1.121 171 Y CB -0.853 37.636 38.460 0.050 0.000 0.987 171 Y HN 0.129 nan 8.280 nan 0.000 0.495 172 A N 0.270 122.859 122.820 -0.384 0.000 1.971 172 A HA -0.274 4.046 4.320 0.001 0.000 0.222 172 A C 2.093 179.646 177.584 -0.052 0.000 1.182 172 A CA 2.012 53.854 52.037 -0.325 0.000 0.649 172 A CB -1.572 17.087 19.000 -0.568 0.000 0.818 172 A HN 0.647 nan 8.150 nan 0.000 0.458 173 F N -0.057 119.785 119.950 -0.179 0.000 2.026 173 F HA 0.042 4.570 4.527 0.001 0.000 0.288 173 F C 1.916 177.487 175.800 -0.382 0.000 1.263 173 F CA 1.335 59.067 58.000 -0.446 0.000 1.136 173 F CB -0.969 37.772 39.000 -0.432 0.000 0.980 173 F HN 0.113 nan 8.300 nan 0.000 0.494 174 L N 0.780 121.626 121.223 -0.630 0.000 2.251 174 L HA -0.437 3.903 4.340 0.001 0.000 0.226 174 L C 2.526 179.088 176.870 -0.513 0.000 1.103 174 L CA 2.118 56.582 54.840 -0.627 0.000 0.827 174 L CB -1.505 40.422 42.059 -0.221 0.000 0.907 174 L HN 0.581 nan 8.230 nan 0.000 0.449 175 S N -1.888 113.539 115.700 -0.455 0.000 2.402 175 S HA -0.122 4.349 4.470 0.001 0.000 0.229 175 S C 1.951 176.607 174.600 0.093 0.000 1.021 175 S CA 1.151 59.183 58.200 -0.280 0.000 0.974 175 S CB -0.234 62.700 63.200 -0.444 0.000 0.800 175 S HN 0.412 nan 8.310 nan 0.000 0.484 176 S N 2.905 118.620 115.700 0.024 0.000 2.368 176 S HA 0.108 4.579 4.470 0.001 0.000 0.224 176 S C 1.820 176.576 174.600 0.260 0.000 1.029 176 S CA 1.268 59.624 58.200 0.259 0.000 0.988 176 S CB -0.767 62.578 63.200 0.242 0.000 0.838 176 S HN 0.491 nan 8.310 nan 0.000 0.462 177 L N 1.208 122.396 121.223 -0.059 0.000 2.211 177 L HA -0.151 4.190 4.340 0.001 0.000 0.216 177 L C -1.042 175.899 176.870 0.118 0.000 1.092 177 L CA 1.170 55.998 54.840 -0.020 0.000 0.767 177 L CB -2.188 39.748 42.059 -0.205 0.000 0.894 177 L HN 0.251 nan 8.230 nan 0.000 0.437 178 P HA -0.134 nan 4.420 nan 0.000 0.226 178 P C 1.208 178.426 177.300 -0.136 0.000 1.153 178 P CA 1.170 64.208 63.100 -0.105 0.000 0.777 178 P CB 0.060 31.592 31.700 -0.280 0.000 0.794 179 W N -1.543 119.830 121.300 0.123 0.000 3.049 179 W HA 0.124 4.785 4.660 0.001 0.000 0.286 179 W C 2.051 178.639 176.519 0.115 0.000 1.008 179 W CA 0.180 57.600 57.345 0.125 0.000 1.886 179 W CB -1.184 28.351 29.460 0.125 0.000 1.229 179 W HN -0.405 nan 8.180 nan 0.000 0.524 180 V N 1.749 121.888 119.914 0.375 0.000 2.688 180 V HA -0.179 3.942 4.120 0.001 0.000 0.256 180 V C 2.098 178.258 176.094 0.110 0.000 1.084 180 V CA 2.534 64.960 62.300 0.210 0.000 1.103 180 V CB -1.022 30.911 31.823 0.184 0.000 0.688 180 V HN 0.286 nan 8.190 nan 0.000 0.480 181 G N -0.830 108.028 108.800 0.096 0.000 2.432 181 G HA2 -0.322 3.639 3.960 0.001 0.000 0.219 181 G HA3 -0.322 3.639 3.960 0.001 0.000 0.219 181 G C 1.568 176.357 174.900 -0.185 0.000 1.135 181 G CA 0.987 46.019 45.100 -0.114 0.000 0.767 181 G HN 0.545 nan 8.290 nan 0.000 0.550 182 K N 0.143 120.603 120.400 0.101 0.000 2.020 182 K HA -0.147 4.174 4.320 0.001 0.000 0.212 182 K C 2.252 178.863 176.600 0.019 0.000 1.050 182 K CA 1.732 58.103 56.287 0.141 0.000 0.929 182 K CB -0.151 32.449 32.500 0.168 0.000 0.714 182 K HN 0.396 nan 8.250 nan 0.000 0.443 183 E N -0.084 120.124 120.200 0.014 0.000 2.474 183 E HA -0.060 4.290 4.350 0.001 0.000 0.194 183 E C 1.354 177.916 176.600 -0.062 0.000 1.041 183 E CA -0.063 56.331 56.400 -0.011 0.000 0.874 183 E CB 0.313 30.020 29.700 0.010 0.000 0.914 183 E HN 0.158 nan 8.360 nan 0.000 0.498 184 L N 0.504 121.667 121.223 -0.099 0.000 2.599 184 L HA -0.000 4.341 4.340 0.001 0.000 0.230 184 L C 0.937 177.731 176.870 -0.127 0.000 1.141 184 L CA 0.933 55.714 54.840 -0.097 0.000 0.877 184 L CB -0.093 41.931 42.059 -0.058 0.000 1.009 184 L HN 0.137 nan 8.230 nan 0.000 0.447 185 Y N -0.315 119.723 120.300 -0.436 0.000 2.467 185 Y HA 0.124 4.675 4.550 0.001 0.000 0.250 185 Y C 1.928 177.689 175.900 -0.232 0.000 1.155 185 Y CA 0.072 57.900 58.100 -0.453 0.000 1.249 185 Y CB 0.083 38.041 38.460 -0.837 0.000 1.146 185 Y HN 0.498 nan 8.280 nan 0.000 0.524 186 E N -0.437 119.687 120.200 -0.127 0.000 2.511 186 E HA 0.012 4.363 4.350 0.001 0.000 0.196 186 E C 0.363 176.872 176.600 -0.152 0.000 1.066 186 E CA 0.339 56.675 56.400 -0.107 0.000 0.871 186 E CB 0.278 29.942 29.700 -0.058 0.000 0.863 186 E HN 0.019 nan 8.360 nan 0.000 0.520 187 K N -0.028 120.254 120.400 -0.196 0.000 2.555 187 K HA 0.182 4.503 4.320 0.001 0.000 0.279 187 K C -0.803 175.667 176.600 -0.217 0.000 0.986 187 K CA -0.729 55.447 56.287 -0.185 0.000 0.880 187 K CB 1.174 33.608 32.500 -0.110 0.000 1.474 187 K HN -0.190 nan 8.250 nan 0.000 0.433 188 K N 0.971 121.271 120.400 -0.167 0.000 3.104 188 K HA -0.206 4.115 4.320 0.001 0.000 0.285 188 K C 0.197 176.677 176.600 -0.200 0.000 1.136 188 K CA 1.491 57.706 56.287 -0.118 0.000 0.842 188 K CB -1.471 31.009 32.500 -0.034 0.000 1.217 188 K HN 0.949 nan 8.250 nan 0.000 0.467 189 D N -0.429 119.705 120.400 -0.443 0.000 2.384 189 D HA -0.082 4.559 4.640 0.001 0.000 0.222 189 D C 1.268 177.363 176.300 -0.342 0.000 0.976 189 D CA 1.166 54.667 54.000 -0.833 0.000 0.915 189 D CB 0.121 40.151 40.800 -1.284 0.000 0.896 189 D HN 0.345 nan 8.370 nan 0.000 0.523 190 A N 0.180 122.885 122.820 -0.192 0.000 1.984 190 A HA 0.014 4.335 4.320 0.001 0.000 0.214 190 A C 2.039 179.607 177.584 -0.027 0.000 1.173 190 A CA 0.735 52.719 52.037 -0.089 0.000 0.673 190 A CB -0.041 18.915 19.000 -0.072 0.000 0.830 190 A HN 0.116 nan 8.150 nan 0.000 0.453 191 E N -1.118 119.073 120.200 -0.015 0.000 2.307 191 E HA 0.181 4.532 4.350 0.001 0.000 0.195 191 E C 1.360 178.032 176.600 0.120 0.000 0.975 191 E CA 0.312 56.739 56.400 0.045 0.000 0.878 191 E CB 0.098 29.821 29.700 0.039 0.000 0.845 191 E HN 0.332 nan 8.360 nan 0.000 0.488 192 M N 0.856 120.543 119.600 0.145 0.000 2.654 192 M HA 0.066 4.546 4.480 0.001 0.000 0.217 192 M C -0.079 176.407 176.300 0.310 0.000 1.183 192 M CA 0.771 56.283 55.300 0.355 0.000 0.991 192 M CB 0.209 33.088 32.600 0.465 0.000 1.749 192 M HN -0.028 nan 8.290 nan 0.000 0.475 193 D N -0.674 119.844 120.400 0.196 0.000 2.448 193 D HA 0.072 4.713 4.640 0.001 0.000 0.256 193 D C 1.867 178.298 176.300 0.218 0.000 1.108 193 D CA 0.335 54.422 54.000 0.145 0.000 0.848 193 D CB 0.592 41.436 40.800 0.073 0.000 1.281 193 D HN 0.352 nan 8.370 nan 0.000 0.509 194 R N 0.830 121.442 120.500 0.186 0.000 2.075 194 R HA 0.040 4.381 4.340 0.001 0.000 0.220 194 R C 1.658 178.067 176.300 0.181 0.000 1.118 194 R CA 0.718 56.908 56.100 0.150 0.000 0.986 194 R CB -0.272 30.083 30.300 0.091 0.000 0.884 194 R HN -0.110 nan 8.270 nan 0.000 0.439 195 I N 0.806 121.495 120.570 0.197 0.000 2.454 195 I HA -0.153 4.018 4.170 0.001 0.000 0.254 195 I C 1.864 178.126 176.117 0.241 0.000 1.156 195 I CA 1.054 62.428 61.300 0.123 0.000 1.433 195 I CB -1.159 36.852 38.000 0.017 0.000 1.082 195 I HN 0.120 nan 8.210 nan 0.000 0.432 196 F N 1.599 121.668 119.950 0.198 0.000 2.060 196 F HA -0.113 4.415 4.527 0.001 0.000 0.295 196 F C 2.651 178.659 175.800 0.347 0.000 1.120 196 F CA 1.642 59.846 58.000 0.340 0.000 1.205 196 F CB -0.832 38.352 39.000 0.308 0.000 0.986 196 F HN 0.031 nan 8.300 nan 0.000 0.470 197 A N -0.424 122.659 122.820 0.438 0.000 2.019 197 A HA -0.215 4.106 4.320 0.001 0.000 0.219 197 A C 1.900 179.574 177.584 0.150 0.000 1.164 197 A CA 2.051 54.246 52.037 0.263 0.000 0.644 197 A CB -0.967 18.150 19.000 0.195 0.000 0.805 197 A HN 0.460 nan 8.150 nan 0.000 0.449 198 N N -1.129 117.651 118.700 0.134 0.000 2.331 198 N HA -0.046 4.695 4.740 0.001 0.000 0.180 198 N C 1.376 176.910 175.510 0.041 0.000 1.019 198 N CA 1.619 54.706 53.050 0.061 0.000 0.881 198 N CB -0.034 38.471 38.487 0.031 0.000 0.972 198 N HN 0.413 nan 8.380 nan 0.000 0.435 199 T N -0.792 113.799 114.554 0.062 0.000 3.051 199 T HA 0.007 4.358 4.350 0.001 0.000 0.255 199 T C 1.485 176.069 174.700 -0.193 0.000 1.085 199 T CA 0.437 62.557 62.100 0.033 0.000 1.109 199 T CB 0.131 69.080 68.868 0.134 0.000 0.921 199 T HN 0.177 nan 8.240 nan 0.000 0.488 200 E N 1.672 121.749 120.200 -0.206 0.000 2.046 200 E HA -0.032 4.318 4.350 0.001 0.000 0.190 200 E C 2.373 178.785 176.600 -0.313 0.000 0.982 200 E CA 1.238 57.340 56.400 -0.497 0.000 0.800 200 E CB -0.558 29.099 29.700 -0.072 0.000 0.756 200 E HN 0.234 nan 8.360 nan 0.000 0.449 201 S N -1.095 114.534 115.700 -0.119 0.000 2.343 201 S HA -0.213 4.258 4.470 0.001 0.000 0.219 201 S C 1.974 176.522 174.600 -0.087 0.000 1.033 201 S CA 1.378 59.531 58.200 -0.080 0.000 1.014 201 S CB -0.814 62.378 63.200 -0.013 0.000 0.915 201 S HN 0.551 nan 8.310 nan 0.000 0.435 202 Y N 1.784 121.992 120.300 -0.153 0.000 2.207 202 Y HA -0.118 4.433 4.550 0.001 0.000 0.287 202 Y C 2.049 177.833 175.900 -0.193 0.000 1.156 202 Y CA 1.815 59.827 58.100 -0.147 0.000 1.182 202 Y CB -0.560 37.828 38.460 -0.121 0.000 0.979 202 Y HN 0.354 nan 8.280 nan 0.000 0.521 203 L N 0.314 121.317 121.223 -0.367 0.000 2.083 203 L HA -0.210 4.130 4.340 0.001 0.000 0.209 203 L C 2.038 178.631 176.870 -0.461 0.000 1.083 203 L CA 1.733 56.270 54.840 -0.506 0.000 0.752 203 L CB -0.332 41.340 42.059 -0.644 0.000 0.899 203 L HN 0.034 nan 8.230 nan 0.000 0.433 204 K N -0.020 120.155 120.400 -0.376 0.000 2.365 204 K HA 0.034 4.355 4.320 0.001 0.000 0.197 204 K C 1.570 178.024 176.600 -0.243 0.000 1.042 204 K CA 0.693 56.811 56.287 -0.281 0.000 0.987 204 K CB 0.062 32.431 32.500 -0.220 0.000 0.779 204 K HN 0.365 nan 8.250 nan 0.000 0.484 205 R N 0.572 120.909 120.500 -0.271 0.000 2.480 205 R HA 0.152 4.493 4.340 0.001 0.000 0.277 205 R C 0.117 176.243 176.300 -0.290 0.000 1.008 205 R CA -0.068 55.899 56.100 -0.221 0.000 1.090 205 R CB 0.320 30.534 30.300 -0.143 0.000 1.234 205 R HN -0.096 nan 8.270 nan 0.000 0.549 206 R N 2.095 122.367 120.500 -0.380 0.000 2.294 206 R HA 0.082 4.422 4.340 0.001 0.000 0.319 206 R C -0.003 176.162 176.300 -0.225 0.000 0.984 206 R CA -0.457 55.419 56.100 -0.374 0.000 0.861 206 R CB 1.181 31.179 30.300 -0.504 0.000 1.104 206 R HN 0.199 nan 8.270 nan 0.000 0.451 207 Q N 3.304 123.007 119.800 -0.161 0.000 2.364 207 Q HA 0.060 4.400 4.340 0.001 0.000 0.267 207 Q C -0.486 175.426 176.000 -0.145 0.000 0.999 207 Q CA 0.065 55.788 55.803 -0.134 0.000 0.886 207 Q CB 0.946 29.623 28.738 -0.101 0.000 1.243 207 Q HN 0.303 nan 8.270 nan 0.000 0.415 208 K N 2.533 122.787 120.400 -0.242 0.000 2.478 208 K HA 0.127 4.448 4.320 0.001 0.000 0.205 208 K C 1.041 177.280 176.600 -0.602 0.000 1.033 208 K CA 0.011 56.004 56.287 -0.491 0.000 1.091 208 K CB 0.414 32.712 32.500 -0.338 0.000 0.844 208 K HN 0.692 nan 8.250 nan 0.000 0.507 209 T N 1.708 116.057 114.554 -0.342 0.000 2.684 209 T HA -0.246 4.105 4.350 0.001 0.000 0.267 209 T C 1.726 176.286 174.700 -0.233 0.000 1.032 209 T CA 2.225 64.191 62.100 -0.223 0.000 1.155 209 T CB -0.467 68.323 68.868 -0.129 0.000 0.857 209 T HN 0.507 nan 8.240 nan 0.000 0.457 210 H N 1.331 120.341 119.070 -0.100 0.000 2.290 210 H HA -0.037 4.520 4.556 0.001 0.000 0.298 210 H C 2.294 177.590 175.328 -0.055 0.000 1.087 210 H CA 1.539 57.533 56.048 -0.090 0.000 1.291 210 H CB -1.462 28.242 29.762 -0.097 0.000 1.369 210 H HN 0.280 nan 8.280 nan 0.000 0.492 211 V N 2.487 122.269 119.914 -0.219 0.000 2.277 211 V HA -0.298 3.823 4.120 0.001 0.000 0.261 211 V C -0.229 175.856 176.094 -0.014 0.000 1.091 211 V CA 2.933 65.200 62.300 -0.055 0.000 1.090 211 V CB -1.907 29.835 31.823 -0.135 0.000 0.704 211 V HN 0.413 nan 8.190 nan 0.000 0.455 212 P HA -0.162 nan 4.420 nan 0.000 0.216 212 P C 1.909 179.209 177.300 0.001 0.000 1.153 212 P CA 1.659 64.749 63.100 -0.016 0.000 0.848 212 P CB -0.176 31.507 31.700 -0.028 0.000 0.787 213 M N -1.389 118.214 119.600 0.005 0.000 2.557 213 M HA -0.036 4.444 4.480 0.001 0.000 0.259 213 M C 0.827 177.140 176.300 0.021 0.000 1.086 213 M CA 1.599 56.910 55.300 0.018 0.000 1.096 213 M CB -0.321 32.294 32.600 0.024 0.000 1.424 213 M HN -0.095 nan 8.290 nan 0.000 0.488 214 L N -0.641 120.601 121.223 0.031 0.000 2.693 214 L HA 0.244 4.585 4.340 0.001 0.000 0.235 214 L C 0.464 177.352 176.870 0.031 0.000 1.127 214 L CA -0.289 54.569 54.840 0.031 0.000 0.914 214 L CB 0.137 42.230 42.059 0.057 0.000 1.193 214 L HN 0.216 nan 8.230 nan 0.000 0.502 215 Q N -0.236 119.580 119.800 0.027 0.000 2.340 215 Q HA 0.110 4.451 4.340 0.001 0.000 0.249 215 Q C 0.953 176.938 176.000 -0.024 0.000 0.957 215 Q CA -0.304 55.518 55.803 0.032 0.000 0.882 215 Q CB 2.388 31.154 28.738 0.046 0.000 1.235 215 Q HN -0.029 nan 8.270 nan 0.000 0.439 216 V N 1.314 121.191 119.914 -0.063 0.000 2.446 216 V HA -0.014 4.107 4.120 0.001 0.000 0.244 216 V C 0.166 175.972 176.094 -0.480 0.000 1.039 216 V CA 0.977 63.075 62.300 -0.336 0.000 1.045 216 V CB 0.089 31.606 31.823 -0.510 0.000 0.681 216 V HN 0.626 nan 8.190 nan 0.000 0.459 217 W N -0.659 120.607 121.300 -0.057 0.000 2.902 217 W HA 0.412 5.073 4.660 0.001 0.000 0.346 217 W C 0.881 177.374 176.519 -0.044 0.000 1.139 217 W CA 0.111 57.413 57.345 -0.073 0.000 1.139 217 W CB 1.359 30.755 29.460 -0.107 0.000 1.439 217 W HN 0.048 nan 8.180 nan 0.000 0.558 218 T N -2.054 112.628 114.554 0.213 0.000 3.044 218 T HA 0.385 4.735 4.350 0.001 0.000 0.260 218 T C 0.438 175.185 174.700 0.079 0.000 1.019 218 T CA -0.069 62.096 62.100 0.109 0.000 0.921 218 T CB 0.228 69.141 68.868 0.074 0.000 1.053 218 T HN 0.367 nan 8.240 nan 0.000 0.533 219 A N 1.875 124.744 122.820 0.081 0.000 2.409 219 A HA 0.411 4.732 4.320 0.001 0.000 0.267 219 A C 0.719 178.290 177.584 -0.021 0.000 1.127 219 A CA -0.520 51.515 52.037 -0.004 0.000 0.795 219 A CB 0.151 19.102 19.000 -0.080 0.000 1.061 219 A HN 0.287 nan 8.150 nan 0.000 0.502 220 D N 1.541 121.924 120.400 -0.028 0.000 2.349 220 D HA 0.058 4.699 4.640 0.001 0.000 0.224 220 D C 0.086 176.341 176.300 -0.075 0.000 1.029 220 D CA 1.128 55.109 54.000 -0.031 0.000 0.879 220 D CB 0.286 41.072 40.800 -0.023 0.000 0.906 220 D HN 0.519 nan 8.370 nan 0.000 0.528 221 K N 0.375 120.707 120.400 -0.113 0.000 2.502 221 K HA 0.235 4.556 4.320 0.001 0.000 0.257 221 K C -2.034 174.428 176.600 -0.230 0.000 0.938 221 K CA -1.383 54.804 56.287 -0.166 0.000 0.819 221 K CB 3.177 35.595 32.500 -0.137 0.000 1.333 221 K HN -0.274 nan 8.250 nan 0.000 0.434 222 P HA -0.025 nan 4.420 nan 0.000 0.245 222 P C -0.609 176.359 177.300 -0.554 0.000 1.206 222 P CA 0.640 63.510 63.100 -0.382 0.000 0.781 222 P CB 0.500 31.958 31.700 -0.403 0.000 0.994 223 H N 0.399 119.340 119.070 -0.215 0.000 2.906 223 H HA 0.364 4.920 4.556 0.001 0.000 0.324 223 H C -2.607 172.657 175.328 -0.106 0.000 0.973 223 H CA -2.135 53.818 56.048 -0.159 0.000 1.321 223 H CB 1.751 31.383 29.762 -0.218 0.000 1.535 223 H HN -0.001 nan 8.280 nan 0.000 0.518 224 P HA 0.010 nan 4.420 nan 0.000 0.271 224 P C -0.144 177.216 177.300 0.100 0.000 1.220 224 P CA -0.290 62.847 63.100 0.062 0.000 0.768 224 P CB 0.786 32.520 31.700 0.058 0.000 0.848 225 Q N 2.907 122.769 119.800 0.104 0.000 2.389 225 Q HA 0.177 4.518 4.340 0.001 0.000 0.244 225 Q C -0.100 175.962 176.000 0.104 0.000 1.056 225 Q CA 0.206 56.081 55.803 0.121 0.000 0.908 225 Q CB 0.306 29.130 28.738 0.143 0.000 1.273 225 Q HN 0.490 nan 8.270 nan 0.000 0.471 226 E N 1.322 121.589 120.200 0.111 0.000 2.277 226 E HA 0.151 4.502 4.350 0.001 0.000 0.274 226 E C -0.173 176.493 176.600 0.109 0.000 1.022 226 E CA -0.676 55.780 56.400 0.093 0.000 0.853 226 E CB 1.400 31.149 29.700 0.083 0.000 1.086 226 E HN 0.290 nan 8.360 nan 0.000 0.397 227 E N 1.773 122.026 120.200 0.090 0.000 2.437 227 E HA -0.106 4.244 4.350 0.001 0.000 0.263 227 E C 0.428 177.123 176.600 0.159 0.000 1.030 227 E CA 0.244 56.727 56.400 0.139 0.000 0.934 227 E CB 0.418 30.162 29.700 0.073 0.000 0.943 227 E HN 0.597 nan 8.360 nan 0.000 0.444 228 Y N 3.245 123.578 120.300 0.055 0.000 2.097 228 Y HA -0.194 4.357 4.550 0.001 0.000 0.282 228 Y C 1.907 177.850 175.900 0.071 0.000 1.152 228 Y CA 1.231 59.368 58.100 0.063 0.000 1.136 228 Y CB -0.608 37.868 38.460 0.027 0.000 0.975 228 Y HN 0.474 nan 8.280 nan 0.000 0.498 229 L N 0.044 120.879 121.223 -0.647 0.000 2.201 229 L HA -0.128 4.213 4.340 0.001 0.000 0.212 229 L C 1.388 178.157 176.870 -0.167 0.000 1.105 229 L CA 1.412 55.989 54.840 -0.437 0.000 0.775 229 L CB -0.428 41.258 42.059 -0.622 0.000 0.913 229 L HN 0.245 nan 8.230 nan 0.000 0.440 230 D N -1.980 118.335 120.400 -0.142 0.000 2.347 230 D HA -0.104 4.537 4.640 0.001 0.000 0.213 230 D C 1.889 178.164 176.300 -0.042 0.000 0.985 230 D CA 0.429 54.382 54.000 -0.080 0.000 0.879 230 D CB 0.184 40.938 40.800 -0.076 0.000 0.919 230 D HN 0.264 nan 8.370 nan 0.000 0.526 231 C N -0.603 118.667 119.300 -0.049 0.000 2.525 231 C HA 0.202 4.663 4.460 0.001 0.000 0.291 231 C C 2.341 177.244 174.990 -0.144 0.000 1.351 231 C CA -0.202 58.745 59.018 -0.119 0.000 1.771 231 C CB -0.908 26.808 27.740 -0.041 0.000 2.177 231 C HN 0.269 nan 8.230 nan 0.000 0.510 232 L N 0.835 122.005 121.223 -0.088 0.000 2.083 232 L HA -0.039 4.302 4.340 0.001 0.000 0.209 232 L C 2.212 178.993 176.870 -0.149 0.000 1.083 232 L CA 2.104 56.837 54.840 -0.179 0.000 0.752 232 L CB -1.072 40.882 42.059 -0.175 0.000 0.899 232 L HN 0.699 nan 8.230 nan 0.000 0.433 233 W N 0.308 121.475 121.300 -0.221 0.000 2.374 233 W HA -0.179 4.482 4.660 0.001 0.000 0.288 233 W C 1.985 178.394 176.519 -0.184 0.000 1.218 233 W CA 1.663 58.887 57.345 -0.201 0.000 1.245 233 W CB -0.114 29.247 29.460 -0.164 0.000 1.126 233 W HN 0.385 nan 8.180 nan 0.000 0.545 234 A N 0.249 123.050 122.820 -0.032 0.000 2.119 234 A HA -0.160 4.161 4.320 0.001 0.000 0.216 234 A C 1.856 179.333 177.584 -0.178 0.000 1.152 234 A CA 1.205 53.184 52.037 -0.097 0.000 0.708 234 A CB -0.460 18.393 19.000 -0.244 0.000 0.805 234 A HN 0.526 nan 8.150 nan 0.000 0.460 235 Q N -0.730 118.928 119.800 -0.236 0.000 2.376 235 Q HA 0.170 4.511 4.340 0.001 0.000 0.206 235 Q C 1.603 177.423 176.000 -0.299 0.000 0.921 235 Q CA 0.340 56.011 55.803 -0.220 0.000 0.911 235 Q CB 0.097 28.711 28.738 -0.208 0.000 1.032 235 Q HN 0.592 nan 8.270 nan 0.000 0.510 236 I N 0.711 121.035 120.570 -0.409 0.000 2.277 236 I HA -0.172 3.999 4.170 0.001 0.000 0.243 236 I C 2.133 177.906 176.117 -0.574 0.000 1.094 236 I CA 0.900 61.889 61.300 -0.519 0.000 1.393 236 I CB -0.660 36.946 38.000 -0.658 0.000 1.078 236 I HN 0.244 nan 8.210 nan 0.000 0.417 237 Q N 1.162 120.629 119.800 -0.556 0.000 2.112 237 Q HA -0.232 4.109 4.340 0.001 0.000 0.206 237 Q C 2.145 177.944 176.000 -0.336 0.000 0.987 237 Q CA 1.360 56.910 55.803 -0.423 0.000 0.858 237 Q CB -0.561 28.003 28.738 -0.291 0.000 0.905 237 Q HN 0.398 nan 8.270 nan 0.000 0.420 238 K N 0.739 120.979 120.400 -0.267 0.000 2.209 238 K HA -0.138 4.183 4.320 0.001 0.000 0.204 238 K C 2.016 178.446 176.600 -0.284 0.000 1.048 238 K CA 0.566 56.728 56.287 -0.207 0.000 0.940 238 K CB -0.130 32.291 32.500 -0.131 0.000 0.729 238 K HN 0.160 nan 8.250 nan 0.000 0.451 239 L N 1.552 122.534 121.223 -0.401 0.000 2.068 239 L HA -0.079 4.262 4.340 0.001 0.000 0.204 239 L C 2.505 178.875 176.870 -0.833 0.000 1.076 239 L CA 1.730 56.263 54.840 -0.512 0.000 0.753 239 L CB -0.491 41.246 42.059 -0.536 0.000 0.910 239 L HN 0.044 nan 8.230 nan 0.000 0.439 240 K N -0.065 119.684 120.400 -1.084 0.000 2.009 240 K HA -0.247 4.074 4.320 0.001 0.000 0.210 240 K C 2.132 178.352 176.600 -0.634 0.000 1.049 240 K CA 1.762 57.288 56.287 -1.267 0.000 0.929 240 K CB -0.291 31.707 32.500 -0.835 0.000 0.714 240 K HN 0.206 nan 8.250 nan 0.000 0.440 241 K N 0.418 120.581 120.400 -0.396 0.000 2.515 241 K HA -0.137 4.184 4.320 0.001 0.000 0.196 241 K C -0.042 176.447 176.600 -0.184 0.000 1.038 241 K CA 1.398 57.552 56.287 -0.221 0.000 0.967 241 K CB 0.128 32.533 32.500 -0.158 0.000 0.780 241 K HN 0.145 nan 8.250 nan 0.000 0.483 242 D N 1.212 121.468 120.400 -0.240 0.000 2.463 242 D HA 0.136 4.777 4.640 0.001 0.000 0.224 242 D C -0.313 175.919 176.300 -0.114 0.000 1.174 242 D CA -0.130 53.779 54.000 -0.153 0.000 0.829 242 D CB 0.196 40.909 40.800 -0.146 0.000 0.993 242 D HN 0.156 nan 8.370 nan 0.000 0.497 243 R N -1.216 119.205 120.500 -0.131 0.000 3.651 243 R HA -0.218 4.123 4.340 0.001 0.000 0.292 243 R C -0.513 175.903 176.300 0.194 0.000 1.161 243 R CA 0.349 56.481 56.100 0.054 0.000 0.787 243 R CB -2.351 28.003 30.300 0.090 0.000 1.249 243 R HN 0.255 nan 8.270 nan 0.000 0.476 244 W N -1.593 119.656 121.300 -0.085 0.000 4.849 244 W HA -0.292 4.368 4.660 0.001 0.000 0.358 244 W C -0.197 176.293 176.519 -0.049 0.000 1.331 244 W CA 0.962 58.258 57.345 -0.081 0.000 0.844 244 W CB -2.156 27.262 29.460 -0.069 0.000 2.434 244 W HN 0.366 nan 8.180 nan 0.000 1.458 245 Q N 0.538 120.375 119.800 0.061 0.000 2.340 245 Q HA 0.418 4.759 4.340 0.001 0.000 0.259 245 Q C 0.547 176.542 176.000 -0.009 0.000 0.964 245 Q CA -0.585 55.243 55.803 0.041 0.000 0.900 245 Q CB 1.291 30.044 28.738 0.026 0.000 1.228 245 Q HN 0.251 nan 8.270 nan 0.000 0.449 246 E N 1.851 122.049 120.200 -0.002 0.000 2.303 246 E HA 0.457 4.808 4.350 0.001 0.000 0.254 246 E C -0.267 176.329 176.600 -0.008 0.000 0.979 246 E CA -1.062 55.322 56.400 -0.028 0.000 0.843 246 E CB 0.809 30.472 29.700 -0.061 0.000 1.245 246 E HN 0.539 nan 8.360 nan 0.000 0.413 247 R N -0.530 119.974 120.500 0.007 0.000 2.617 247 R HA 0.359 4.700 4.340 0.001 0.000 0.432 247 R C -0.501 175.864 176.300 0.108 0.000 1.018 247 R CA -0.326 55.794 56.100 0.034 0.000 1.077 247 R CB -0.258 30.056 30.300 0.023 0.000 1.394 247 R HN 0.661 nan 8.270 nan 0.000 0.608 248 H N -0.062 118.976 119.070 -0.053 0.000 3.429 248 H HA 0.419 4.976 4.556 0.001 0.000 0.230 248 H C -0.148 175.157 175.328 -0.037 0.000 0.948 248 H CA -0.059 55.964 56.048 -0.041 0.000 1.035 248 H CB 0.623 30.366 29.762 -0.032 0.000 1.350 248 H HN 0.146 nan 8.280 nan 0.000 0.600 249 I N 3.091 123.654 120.570 -0.011 0.000 2.581 249 I HA 0.016 4.187 4.170 0.001 0.000 0.285 249 I C -0.170 175.934 176.117 -0.021 0.000 1.129 249 I CA 0.227 61.531 61.300 0.008 0.000 1.397 249 I CB 0.586 38.574 38.000 -0.019 0.000 1.399 249 I HN 0.135 nan 8.210 nan 0.000 0.537 250 L N 7.699 128.890 121.223 -0.053 0.000 2.360 250 L HA 0.246 4.587 4.340 0.001 0.000 0.276 250 L C 0.317 177.119 176.870 -0.113 0.000 1.121 250 L CA -0.343 54.436 54.840 -0.102 0.000 0.845 250 L CB 0.076 42.056 42.059 -0.131 0.000 1.143 250 L HN 0.491 nan 8.230 nan 0.000 0.452 251 R N 4.607 124.977 120.500 -0.216 0.000 2.215 251 R HA 0.261 4.602 4.340 0.001 0.000 0.336 251 R C -1.925 174.102 176.300 -0.456 0.000 0.996 251 R CA -1.857 53.930 56.100 -0.522 0.000 0.847 251 R CB 1.241 31.238 30.300 -0.505 0.000 1.127 251 R HN 0.344 nan 8.270 nan 0.000 0.465 252 P HA -0.059 nan 4.420 nan 0.000 0.222 252 P C 0.212 177.530 177.300 0.030 0.000 1.153 252 P CA 0.904 63.938 63.100 -0.110 0.000 0.798 252 P CB 0.045 31.765 31.700 0.033 0.000 0.796 253 Y N -1.882 118.524 120.300 0.175 0.000 2.740 253 Y HA 0.401 4.951 4.550 0.001 0.000 0.356 253 Y C 1.320 177.299 175.900 0.132 0.000 1.101 253 Y CA -0.532 57.705 58.100 0.227 0.000 1.477 253 Y CB -1.280 37.286 38.460 0.177 0.000 1.296 253 Y HN -0.129 nan 8.280 nan 0.000 0.507 254 L N 0.523 121.770 121.223 0.040 0.000 2.316 254 L HA 0.372 4.712 4.340 0.001 0.000 0.207 254 L C 2.162 179.026 176.870 -0.011 0.000 1.070 254 L CA 0.940 55.793 54.840 0.022 0.000 0.820 254 L CB -0.031 41.996 42.059 -0.052 0.000 0.992 254 L HN 0.353 nan 8.230 nan 0.000 0.466 255 A N -1.689 121.058 122.820 -0.121 0.000 2.307 255 A HA 0.157 4.478 4.320 0.001 0.000 0.218 255 A C 0.811 178.208 177.584 -0.312 0.000 1.228 255 A CA 0.126 52.019 52.037 -0.240 0.000 0.857 255 A CB -0.434 18.349 19.000 -0.362 0.000 0.897 255 A HN 0.426 nan 8.150 nan 0.000 0.495 256 F N -1.320 118.649 119.950 0.032 0.000 2.688 256 F HA 0.160 4.687 4.527 0.001 0.000 0.310 256 F C 1.409 177.208 175.800 -0.002 0.000 1.098 256 F CA -0.666 57.348 58.000 0.024 0.000 1.228 256 F CB 0.117 39.148 39.000 0.052 0.000 1.042 256 F HN 0.342 nan 8.300 nan 0.000 0.557 257 D N 0.062 120.557 120.400 0.158 0.000 2.133 257 D HA -0.188 4.453 4.640 0.001 0.000 0.195 257 D C 2.108 178.408 176.300 0.001 0.000 0.997 257 D CA 2.098 56.130 54.000 0.054 0.000 0.840 257 D CB 0.275 41.117 40.800 0.070 0.000 0.947 257 D HN 0.057 nan 8.370 nan 0.000 0.452 258 S N -0.527 115.197 115.700 0.039 0.000 2.374 258 S HA -0.150 4.321 4.470 0.001 0.000 0.227 258 S C 2.045 176.659 174.600 0.024 0.000 1.037 258 S CA 0.970 59.187 58.200 0.027 0.000 1.024 258 S CB -0.259 62.961 63.200 0.033 0.000 0.861 258 S HN 0.381 nan 8.310 nan 0.000 0.456 259 I N 0.044 120.654 120.570 0.066 0.000 3.030 259 I HA 0.015 4.185 4.170 0.001 0.000 0.270 259 I C 1.721 177.816 176.117 -0.036 0.000 1.211 259 I CA 0.377 61.698 61.300 0.036 0.000 1.479 259 I CB 0.023 38.074 38.000 0.084 0.000 1.105 259 I HN 0.201 nan 8.210 nan 0.000 0.447 260 L N 0.105 121.278 121.223 -0.084 0.000 2.179 260 L HA -0.109 4.232 4.340 0.001 0.000 0.208 260 L C 2.524 179.142 176.870 -0.419 0.000 1.096 260 L CA 1.494 56.191 54.840 -0.238 0.000 0.779 260 L CB -0.462 41.422 42.059 -0.292 0.000 0.922 260 L HN 0.290 nan 8.230 nan 0.000 0.443 261 C N 0.076 119.153 119.300 -0.371 0.000 2.413 261 C HA -0.200 4.260 4.460 0.001 0.000 0.277 261 C C 2.573 177.552 174.990 -0.018 0.000 1.228 261 C CA 1.028 59.920 59.018 -0.210 0.000 1.731 261 C CB -1.299 26.404 27.740 -0.062 0.000 2.042 261 C HN 0.704 nan 8.230 nan 0.000 0.468 262 E N 1.996 122.184 120.200 -0.019 0.000 2.463 262 E HA 0.044 4.395 4.350 0.001 0.000 0.201 262 E C 0.780 177.400 176.600 0.034 0.000 1.045 262 E CA 0.799 57.206 56.400 0.012 0.000 0.872 262 E CB -0.116 29.587 29.700 0.003 0.000 0.797 262 E HN 0.610 nan 8.360 nan 0.000 0.538 263 A N 1.230 124.072 122.820 0.036 0.000 2.445 263 A HA 0.341 4.662 4.320 0.001 0.000 0.242 263 A C -0.188 177.477 177.584 0.135 0.000 1.075 263 A CA -0.234 51.856 52.037 0.089 0.000 0.777 263 A CB 0.263 19.310 19.000 0.078 0.000 1.013 263 A HN 0.361 nan 8.150 nan 0.000 0.493 264 L N 2.857 124.182 121.223 0.170 0.000 2.295 264 L HA 0.247 4.587 4.340 0.001 0.000 0.281 264 L C 0.012 176.982 176.870 0.168 0.000 1.018 264 L CA -0.674 54.258 54.840 0.152 0.000 0.841 264 L CB 1.229 43.336 42.059 0.079 0.000 1.218 264 L HN 0.824 nan 8.230 nan 0.000 0.424 265 Q N 2.244 122.109 119.800 0.108 0.000 2.616 265 Q HA 0.102 4.443 4.340 0.001 0.000 0.269 265 Q C -0.359 175.628 176.000 -0.021 0.000 1.148 265 Q CA 0.819 56.675 55.803 0.089 0.000 1.003 265 Q CB 0.409 29.170 28.738 0.038 0.000 1.322 265 Q HN 0.412 nan 8.270 nan 0.000 0.518 266 H N -0.381 118.691 119.070 0.004 0.000 2.812 266 H HA 0.446 5.003 4.556 0.001 0.000 0.355 266 H C -0.783 174.532 175.328 -0.021 0.000 1.207 266 H CA -0.944 55.094 56.048 -0.017 0.000 1.217 266 H CB 1.692 31.393 29.762 -0.102 0.000 1.874 266 H HN 0.516 nan 8.280 nan 0.000 0.581 267 N N 0.638 119.410 118.700 0.119 0.000 2.392 267 N HA 0.256 4.997 4.740 0.001 0.000 0.283 267 N C -0.850 174.677 175.510 0.029 0.000 1.003 267 N CA -0.542 52.537 53.050 0.049 0.000 0.892 267 N CB 1.676 40.185 38.487 0.038 0.000 1.193 267 N HN 0.217 nan 8.380 nan 0.000 0.487 268 L N 3.591 124.810 121.223 -0.007 0.000 2.325 268 L HA 0.409 4.749 4.340 0.001 0.000 0.284 268 L C -1.839 175.038 176.870 0.011 0.000 1.089 268 L CA -1.642 53.186 54.840 -0.020 0.000 0.836 268 L CB 0.174 42.192 42.059 -0.070 0.000 1.184 268 L HN 0.302 nan 8.230 nan 0.000 0.444 269 P HA 0.134 nan 4.420 nan 0.000 0.271 269 P C -2.404 174.941 177.300 0.075 0.000 1.233 269 P CA -0.999 62.128 63.100 0.046 0.000 0.789 269 P CB -0.319 31.408 31.700 0.044 0.000 0.951 270 P HA -0.004 nan 4.420 nan 0.000 0.258 270 P C -0.984 176.394 177.300 0.130 0.000 1.172 270 P CA 0.617 63.766 63.100 0.082 0.000 0.762 270 P CB -0.192 31.533 31.700 0.041 0.000 0.764 271 F N 3.763 123.734 119.950 0.034 0.000 2.402 271 F HA 0.362 4.890 4.527 0.001 0.000 0.355 271 F C -0.264 175.593 175.800 0.096 0.000 1.123 271 F CA -0.256 57.789 58.000 0.074 0.000 1.021 271 F CB 1.056 40.118 39.000 0.104 0.000 1.160 271 F HN 0.090 nan 8.300 nan 0.000 0.451 272 T N 6.775 120.988 114.554 -0.568 0.000 2.874 272 T HA 0.310 4.661 4.350 0.001 0.000 0.321 272 T C -2.623 171.720 174.700 -0.596 0.000 1.075 272 T CA -1.562 60.310 62.100 -0.381 0.000 0.966 272 T CB 0.664 69.404 68.868 -0.214 0.000 1.001 272 T HN 0.320 nan 8.240 nan 0.000 0.476 273 P HA 0.093 nan 4.420 nan 0.000 0.257 273 P C -2.339 174.972 177.300 0.019 0.000 1.162 273 P CA -0.759 62.348 63.100 0.010 0.000 0.762 273 P CB -0.483 31.141 31.700 -0.126 0.000 0.753 274 P HA -0.025 nan 4.420 nan 0.000 0.257 274 P C -2.179 175.212 177.300 0.152 0.000 1.162 274 P CA -0.307 62.854 63.100 0.102 0.000 0.762 274 P CB -0.653 31.134 31.700 0.144 0.000 0.753 275 P HA -0.058 nan 4.420 nan 0.000 0.266 275 P C -0.286 177.117 177.300 0.171 0.000 1.195 275 P CA 0.250 63.413 63.100 0.105 0.000 0.768 275 P CB 0.234 31.961 31.700 0.045 0.000 0.838 276 H N 1.425 120.565 119.070 0.116 0.000 2.964 276 H HA 0.283 4.840 4.556 0.001 0.000 0.328 276 H C -0.187 175.201 175.328 0.101 0.000 1.030 276 H CA 0.866 57.012 56.048 0.163 0.000 1.445 276 H CB 0.090 29.922 29.762 0.117 0.000 1.449 276 H HN 0.213 nan 8.280 nan 0.000 0.581 277 T N 3.280 117.591 114.554 -0.406 0.000 2.906 277 T HA 0.184 4.535 4.350 0.001 0.000 0.295 277 T C 0.535 174.967 174.700 -0.447 0.000 1.061 277 T CA -0.842 61.033 62.100 -0.375 0.000 1.000 277 T CB 1.196 69.976 68.868 -0.147 0.000 1.103 277 T HN 0.716 nan 8.240 nan 0.000 0.486 278 E N 1.520 121.551 120.200 -0.282 0.000 2.527 278 E HA 0.046 4.397 4.350 0.001 0.000 0.204 278 E C 0.170 176.708 176.600 -0.103 0.000 1.132 278 E CA 0.614 56.919 56.400 -0.158 0.000 0.905 278 E CB 0.022 29.670 29.700 -0.086 0.000 0.875 278 E HN 0.426 nan 8.360 nan 0.000 0.548 279 D N -0.967 119.360 120.400 -0.122 0.000 2.599 279 D HA 0.125 4.766 4.640 0.001 0.000 0.249 279 D C -0.543 175.692 176.300 -0.109 0.000 1.313 279 D CA 0.048 53.994 54.000 -0.091 0.000 0.815 279 D CB 0.692 41.446 40.800 -0.077 0.000 1.077 279 D HN -0.121 nan 8.370 nan 0.000 0.492 280 S N 0.265 115.891 115.700 -0.122 0.000 2.454 280 S HA 0.533 5.003 4.470 0.001 0.000 0.306 280 S C -0.041 174.338 174.600 -0.368 0.000 1.100 280 S CA -0.581 57.471 58.200 -0.246 0.000 1.087 280 S CB 2.737 65.831 63.200 -0.177 0.000 1.019 280 S HN -0.127 nan 8.310 nan 0.000 0.480 281 V N 4.209 123.819 119.914 -0.506 0.000 2.407 281 V HA 0.439 4.560 4.120 0.001 0.000 0.291 281 V C -1.540 174.203 176.094 -0.586 0.000 1.018 281 V CA -0.702 61.369 62.300 -0.381 0.000 0.842 281 V CB 0.634 32.350 31.823 -0.178 0.000 0.996 281 V HN 0.828 nan 8.190 nan 0.000 0.426 282 Y N 4.347 124.480 120.300 -0.278 0.000 2.377 282 Y HA 0.571 5.121 4.550 0.001 0.000 0.339 282 Y C -2.084 173.618 175.900 -0.330 0.000 1.011 282 Y CA -3.498 54.311 58.100 -0.485 0.000 1.093 282 Y CB 0.679 38.821 38.460 -0.530 0.000 1.201 282 Y HN 0.461 nan 8.280 nan 0.000 0.455 283 P HA -0.083 nan 4.420 nan 0.000 0.263 283 P C -0.377 176.813 177.300 -0.183 0.000 1.162 283 P CA 0.682 63.681 63.100 -0.168 0.000 0.758 283 P CB 0.439 32.051 31.700 -0.146 0.000 0.773 284 M N 5.435 124.898 119.600 -0.229 0.000 2.242 284 M HA 0.219 4.700 4.480 0.001 0.000 0.344 284 M C -1.700 174.410 176.300 -0.316 0.000 1.140 284 M CA -1.685 53.451 55.300 -0.273 0.000 1.160 284 M CB 0.121 32.536 32.600 -0.308 0.000 1.491 284 M HN 0.233 nan 8.290 nan 0.000 0.459 285 P HA 0.054 nan 4.420 nan 0.000 0.266 285 P C -1.252 175.847 177.300 -0.335 0.000 1.193 285 P CA 0.431 63.351 63.100 -0.300 0.000 0.770 285 P CB 0.414 31.756 31.700 -0.598 0.000 0.836 286 R N 0.771 121.011 120.500 -0.433 0.000 2.807 286 R HA 0.670 5.011 4.340 0.001 0.000 0.276 286 R C -0.983 175.347 176.300 0.051 0.000 0.979 286 R CA -1.261 54.687 56.100 -0.255 0.000 0.928 286 R CB 1.787 31.833 30.300 -0.423 0.000 1.191 286 R HN 0.181 nan 8.270 nan 0.000 0.471 287 V N 3.866 123.825 119.914 0.075 0.000 2.384 287 V HA 0.278 4.399 4.120 0.001 0.000 0.287 287 V C 0.307 176.500 176.094 0.164 0.000 1.020 287 V CA -0.900 61.489 62.300 0.150 0.000 0.850 287 V CB 1.610 33.511 31.823 0.129 0.000 0.987 287 V HN 0.559 nan 8.190 nan 0.000 0.436 288 I N 4.631 125.319 120.570 0.196 0.000 2.710 288 I HA 0.056 4.226 4.170 0.001 0.000 0.286 288 I C 0.007 176.270 176.117 0.244 0.000 1.181 288 I CA 0.432 61.867 61.300 0.225 0.000 1.430 288 I CB -0.195 37.933 38.000 0.213 0.000 1.367 288 I HN 0.539 nan 8.210 nan 0.000 0.577 289 F N 7.257 127.278 119.950 0.119 0.000 2.424 289 F HA 0.486 5.013 4.527 0.001 0.000 0.356 289 F C 0.179 176.042 175.800 0.105 0.000 1.110 289 F CA -0.550 57.513 58.000 0.103 0.000 1.161 289 F CB 0.525 39.578 39.000 0.088 0.000 1.115 289 F HN 0.428 nan 8.300 nan 0.000 0.507 290 R N 7.436 127.671 120.500 -0.441 0.000 2.514 290 R HA 0.414 4.755 4.340 0.001 0.000 0.296 290 R C -0.552 175.295 176.300 -0.755 0.000 1.012 290 R CA -0.456 55.390 56.100 -0.424 0.000 0.897 290 R CB 1.048 31.278 30.300 -0.116 0.000 1.184 290 R HN 0.856 nan 8.270 nan 0.000 0.440 291 M N 1.378 120.426 119.600 -0.920 0.000 2.313 291 M HA 0.493 4.974 4.480 0.001 0.000 0.400 291 M C -1.352 174.408 176.300 -0.899 0.000 0.989 291 M CA -0.229 54.479 55.300 -0.986 0.000 0.977 291 M CB 0.954 33.015 32.600 -0.898 0.000 1.808 291 M HN 0.175 nan 8.290 nan 0.000 0.613 292 F N 1.858 121.401 119.950 -0.678 0.000 2.588 292 F HA 0.758 5.286 4.527 0.001 0.000 0.310 292 F C -0.881 174.822 175.800 -0.162 0.000 1.082 292 F CA -1.327 56.499 58.000 -0.289 0.000 0.929 292 F CB 1.738 40.695 39.000 -0.073 0.000 1.254 292 F HN 0.311 nan 8.300 nan 0.000 0.455 293 D N -0.245 120.297 120.400 0.237 0.000 2.626 293 D HA 0.167 4.808 4.640 0.001 0.000 0.278 293 D C 0.234 176.571 176.300 0.062 0.000 1.211 293 D CA -0.650 53.480 54.000 0.216 0.000 0.903 293 D CB 0.264 41.237 40.800 0.289 0.000 1.408 293 D HN 0.415 nan 8.370 nan 0.000 0.454 294 Y N -1.112 119.173 120.300 -0.025 0.000 2.483 294 Y HA -0.035 4.515 4.550 0.001 0.000 0.291 294 Y C 1.898 177.731 175.900 -0.112 0.000 1.143 294 Y CA 1.557 59.599 58.100 -0.097 0.000 1.289 294 Y CB -1.336 37.084 38.460 -0.067 0.000 0.983 294 Y HN 0.414 nan 8.280 nan 0.000 0.556 295 T N -3.481 110.719 114.554 -0.589 0.000 3.067 295 T HA -0.081 4.270 4.350 0.001 0.000 0.261 295 T C 1.319 175.878 174.700 -0.235 0.000 1.110 295 T CA 0.870 62.691 62.100 -0.466 0.000 1.113 295 T CB -0.363 68.207 68.868 -0.497 0.000 0.917 295 T HN 0.379 nan 8.240 nan 0.000 0.499 296 D N 1.750 122.042 120.400 -0.181 0.000 2.097 296 D HA -0.043 4.597 4.640 0.001 0.000 0.197 296 D C 0.411 176.590 176.300 -0.201 0.000 0.984 296 D CA 1.161 55.101 54.000 -0.100 0.000 0.826 296 D CB -0.188 40.611 40.800 -0.002 0.000 0.973 296 D HN 0.444 nan 8.370 nan 0.000 0.460 297 D N 0.185 120.334 120.400 -0.418 0.000 2.454 297 D HA 0.106 4.746 4.640 0.001 0.000 0.225 297 D C -1.593 174.552 176.300 -0.259 0.000 1.081 297 D CA -2.105 51.607 54.000 -0.481 0.000 0.864 297 D CB 1.983 42.212 40.800 -0.950 0.000 1.040 297 D HN -0.065 nan 8.370 nan 0.000 0.517 298 P HA -0.016 nan 4.420 nan 0.000 0.213 298 P C -0.264 176.997 177.300 -0.065 0.000 1.176 298 P CA 0.458 63.502 63.100 -0.093 0.000 0.894 298 P CB 0.460 32.119 31.700 -0.068 0.000 0.771 299 E N 0.586 120.751 120.200 -0.057 0.000 2.223 299 E HA 0.456 4.806 4.350 0.001 0.000 0.282 299 E C 0.460 177.032 176.600 -0.048 0.000 1.046 299 E CA -0.143 56.235 56.400 -0.036 0.000 0.857 299 E CB 0.265 29.953 29.700 -0.020 0.000 1.055 299 E HN 0.308 nan 8.360 nan 0.000 0.409 300 G N 3.803 112.582 108.800 -0.035 0.000 2.354 300 G HA2 -0.097 3.864 3.960 0.001 0.000 0.582 300 G HA3 -0.097 3.864 3.960 0.001 0.000 0.582 300 G C -2.743 172.138 174.900 -0.032 0.000 1.316 300 G CA -1.267 43.814 45.100 -0.032 0.000 0.995 300 G HN 0.433 nan 8.290 nan 0.000 0.573 301 P HA 0.331 nan 4.420 nan 0.000 0.266 301 P C 0.191 177.481 177.300 -0.017 0.000 1.193 301 P CA -0.068 63.031 63.100 -0.002 0.000 0.770 301 P CB 0.702 32.421 31.700 0.032 0.000 0.836 302 V N 4.620 124.532 119.914 -0.003 0.000 2.427 302 V HA 0.079 4.200 4.120 0.001 0.000 0.268 302 V C 1.100 177.202 176.094 0.014 0.000 1.046 302 V CA -0.289 62.011 62.300 -0.001 0.000 0.970 302 V CB 0.351 32.145 31.823 -0.048 0.000 1.001 302 V HN 0.630 nan 8.190 nan 0.000 0.476 303 M N 8.468 128.085 119.600 0.028 0.000 2.238 303 M HA 0.257 4.738 4.480 0.001 0.000 0.350 303 M C -2.155 174.193 176.300 0.081 0.000 1.321 303 M CA -0.960 54.380 55.300 0.068 0.000 1.097 303 M CB 0.820 33.408 32.600 -0.020 0.000 1.713 303 M HN 0.367 nan 8.290 nan 0.000 0.455 304 P HA 0.048 nan 4.420 nan 0.000 0.269 304 P C -0.492 176.849 177.300 0.070 0.000 1.211 304 P CA 0.051 63.172 63.100 0.035 0.000 0.781 304 P CB 0.311 32.016 31.700 0.009 0.000 0.877 305 G N 0.225 109.049 108.800 0.040 0.000 2.539 305 G HA2 0.181 4.142 3.960 0.001 0.000 0.258 305 G HA3 0.181 4.142 3.960 0.001 0.000 0.258 305 G C 0.997 175.978 174.900 0.135 0.000 1.202 305 G CA -0.366 44.784 45.100 0.083 0.000 0.851 305 G HN 0.418 nan 8.290 nan 0.000 0.556 306 S N 0.116 115.927 115.700 0.184 0.000 2.392 306 S HA -0.182 4.289 4.470 0.001 0.000 0.232 306 S C 1.590 176.364 174.600 0.289 0.000 1.041 306 S CA 1.404 59.750 58.200 0.244 0.000 1.026 306 S CB -0.331 63.047 63.200 0.297 0.000 0.845 306 S HN 0.721 nan 8.310 nan 0.000 0.465 307 H N 0.845 119.941 119.070 0.044 0.000 2.539 307 H HA 0.226 4.783 4.556 0.001 0.000 0.269 307 H C 0.996 176.312 175.328 -0.021 0.000 0.980 307 H CA 0.098 56.153 56.048 0.013 0.000 1.152 307 H CB 0.248 30.011 29.762 0.001 0.000 1.407 307 H HN 0.419 nan 8.280 nan 0.000 0.564 308 S N 0.798 116.552 115.700 0.090 0.000 2.603 308 S HA 0.072 4.543 4.470 0.001 0.000 0.268 308 S C 1.740 176.344 174.600 0.007 0.000 1.317 308 S CA -0.245 57.964 58.200 0.014 0.000 1.012 308 S CB 1.650 64.852 63.200 0.003 0.000 0.926 308 S HN 0.121 nan 8.310 nan 0.000 0.539 309 V N -0.640 119.253 119.914 -0.034 0.000 2.488 309 V HA 0.001 4.122 4.120 0.001 0.000 0.246 309 V C 2.159 178.267 176.094 0.023 0.000 1.046 309 V CA 1.429 63.724 62.300 -0.009 0.000 1.053 309 V CB -1.649 30.125 31.823 -0.082 0.000 0.679 309 V HN 0.798 nan 8.190 nan 0.000 0.458 310 E N 1.094 121.271 120.200 -0.038 0.000 2.068 310 E HA -0.271 4.079 4.350 0.001 0.000 0.207 310 E C 2.222 178.761 176.600 -0.101 0.000 1.032 310 E CA 2.248 58.588 56.400 -0.100 0.000 0.839 310 E CB -0.576 29.034 29.700 -0.149 0.000 0.758 310 E HN 0.561 nan 8.360 nan 0.000 0.457 311 R N -0.054 120.428 120.500 -0.031 0.000 2.115 311 R HA -0.195 4.146 4.340 0.001 0.000 0.239 311 R C 2.136 178.470 176.300 0.056 0.000 1.133 311 R CA 1.795 57.905 56.100 0.017 0.000 0.935 311 R CB -1.128 29.235 30.300 0.105 0.000 0.853 311 R HN 0.303 nan 8.270 nan 0.000 0.433 312 F N 0.085 120.030 119.950 -0.009 0.000 2.147 312 F HA -0.234 4.294 4.527 0.001 0.000 0.301 312 F C 1.925 177.750 175.800 0.042 0.000 1.084 312 F CA 1.711 59.730 58.000 0.032 0.000 1.268 312 F CB -0.646 38.367 39.000 0.023 0.000 1.009 312 F HN -0.067 nan 8.300 nan 0.000 0.486 313 V N 0.937 120.787 119.914 -0.106 0.000 2.223 313 V HA -0.326 3.795 4.120 0.001 0.000 0.244 313 V C 2.413 178.466 176.094 -0.069 0.000 1.045 313 V CA 2.469 64.678 62.300 -0.152 0.000 1.000 313 V CB -0.627 31.165 31.823 -0.052 0.000 0.635 313 V HN 0.378 nan 8.190 nan 0.000 0.445 314 I N -0.074 120.454 120.570 -0.070 0.000 2.118 314 I HA -0.314 3.857 4.170 0.001 0.000 0.241 314 I C 2.494 178.468 176.117 -0.238 0.000 1.070 314 I CA 2.084 63.297 61.300 -0.145 0.000 1.327 314 I CB -0.738 37.029 38.000 -0.387 0.000 1.034 314 I HN 0.387 nan 8.210 nan 0.000 0.405 315 E N 0.408 120.480 120.200 -0.214 0.000 2.085 315 E HA -0.302 4.049 4.350 0.001 0.000 0.194 315 E C 2.124 178.563 176.600 -0.269 0.000 0.994 315 E CA 1.636 57.882 56.400 -0.258 0.000 0.801 315 E CB -0.231 29.384 29.700 -0.141 0.000 0.743 315 E HN 0.452 nan 8.360 nan 0.000 0.453 316 E N 1.149 121.207 120.200 -0.237 0.000 2.110 316 E HA -0.162 4.189 4.350 0.001 0.000 0.193 316 E C 1.707 178.325 176.600 0.030 0.000 0.988 316 E CA 1.211 57.533 56.400 -0.129 0.000 0.804 316 E CB -0.018 29.418 29.700 -0.441 0.000 0.745 316 E HN 0.119 nan 8.360 nan 0.000 0.458 317 N N -0.149 118.560 118.700 0.016 0.000 2.171 317 N HA -0.052 4.689 4.740 0.001 0.000 0.184 317 N C 1.858 177.380 175.510 0.019 0.000 1.021 317 N CA 0.880 53.991 53.050 0.102 0.000 0.854 317 N CB -0.255 38.401 38.487 0.282 0.000 0.994 317 N HN 0.222 nan 8.380 nan 0.000 0.426 318 L N 0.539 121.677 121.223 -0.142 0.000 2.042 318 L HA -0.192 4.149 4.340 0.001 0.000 0.210 318 L C 2.194 179.097 176.870 0.055 0.000 1.076 318 L CA 1.187 55.953 54.840 -0.123 0.000 0.749 318 L CB -0.660 41.268 42.059 -0.219 0.000 0.893 318 L HN 0.267 nan 8.230 nan 0.000 0.432 319 H N -0.782 118.297 119.070 0.015 0.000 2.426 319 H HA -0.167 4.390 4.556 0.001 0.000 0.298 319 H C 2.401 177.773 175.328 0.074 0.000 1.107 319 H CA 1.437 57.515 56.048 0.050 0.000 1.298 319 H CB -0.459 29.334 29.762 0.052 0.000 1.377 319 H HN 0.410 nan 8.280 nan 0.000 0.519 320 C N 0.008 119.424 119.300 0.194 0.000 2.464 320 C HA 0.022 4.483 4.460 0.001 0.000 0.278 320 C C 2.958 177.996 174.990 0.080 0.000 1.375 320 C CA -0.016 59.065 59.018 0.103 0.000 1.761 320 C CB -0.822 26.951 27.740 0.055 0.000 1.944 320 C HN 0.459 nan 8.230 nan 0.000 0.509 321 I N 1.162 121.801 120.570 0.114 0.000 2.252 321 I HA -0.161 4.010 4.170 0.001 0.000 0.245 321 I C 2.016 178.221 176.117 0.148 0.000 1.102 321 I CA 1.856 63.242 61.300 0.144 0.000 1.385 321 I CB -0.322 37.777 38.000 0.165 0.000 1.064 321 I HN 0.304 nan 8.210 nan 0.000 0.414 322 I N 0.368 121.036 120.570 0.163 0.000 2.928 322 I HA -0.178 3.993 4.170 0.001 0.000 0.266 322 I C 2.459 178.703 176.117 0.213 0.000 1.234 322 I CA 0.675 62.080 61.300 0.175 0.000 1.483 322 I CB -0.398 37.716 38.000 0.190 0.000 1.097 322 I HN 0.153 nan 8.210 nan 0.000 0.455 323 K N 1.120 121.640 120.400 0.201 0.000 2.147 323 K HA -0.119 4.202 4.320 0.001 0.000 0.205 323 K C 1.956 178.682 176.600 0.210 0.000 1.049 323 K CA 1.425 57.830 56.287 0.198 0.000 0.936 323 K CB 0.157 32.716 32.500 0.100 0.000 0.722 323 K HN 0.236 nan 8.250 nan 0.000 0.446 324 S N -0.207 115.509 115.700 0.027 0.000 2.355 324 S HA 0.016 4.486 4.470 0.001 0.000 0.216 324 S C 0.703 175.155 174.600 -0.246 0.000 1.037 324 S CA 0.320 58.393 58.200 -0.211 0.000 0.955 324 S CB -0.059 62.771 63.200 -0.616 0.000 0.877 324 S HN 0.414 nan 8.310 nan 0.000 0.488 325 H N 1.517 120.660 119.070 0.122 0.000 2.579 325 H HA 0.129 4.686 4.556 0.001 0.000 0.289 325 H C 0.811 176.145 175.328 0.009 0.000 1.270 325 H CA -0.338 55.720 56.048 0.016 0.000 1.060 325 H CB -0.606 29.164 29.762 0.013 0.000 1.554 325 H HN 0.660 nan 8.280 nan 0.000 0.515 326 W N 1.049 122.285 121.300 -0.107 0.000 2.494 326 W HA 0.070 4.731 4.660 0.001 0.000 0.286 326 W C 1.010 177.426 176.519 -0.172 0.000 1.218 326 W CA -0.130 57.063 57.345 -0.254 0.000 1.313 326 W CB -0.440 28.637 29.460 -0.639 0.000 1.105 326 W HN 0.036 nan 8.180 nan 0.000 0.561 327 K N 1.134 120.977 120.400 -0.929 0.000 2.281 327 K HA -0.128 4.192 4.320 0.001 0.000 0.203 327 K C 0.036 176.417 176.600 -0.365 0.000 1.046 327 K CA 1.218 56.993 56.287 -0.855 0.000 0.938 327 K CB -0.146 31.804 32.500 -0.915 0.000 0.737 327 K HN 0.252 nan 8.250 nan 0.000 0.458 328 E N 0.517 120.589 120.200 -0.213 0.000 2.331 328 E HA 0.072 4.422 4.350 0.001 0.000 0.243 328 E C 0.203 176.770 176.600 -0.055 0.000 0.925 328 E CA -0.301 56.031 56.400 -0.113 0.000 0.760 328 E CB 1.321 30.971 29.700 -0.085 0.000 1.254 328 E HN 0.204 nan 8.360 nan 0.000 0.419 329 R N 1.827 122.297 120.500 -0.050 0.000 2.105 329 R HA -0.191 4.150 4.340 0.001 0.000 0.239 329 R C 1.808 178.104 176.300 -0.008 0.000 1.135 329 R CA 1.135 57.223 56.100 -0.020 0.000 0.967 329 R CB -0.149 30.139 30.300 -0.020 0.000 0.861 329 R HN 0.061 nan 8.270 nan 0.000 0.442 330 K N 0.975 121.365 120.400 -0.017 0.000 2.032 330 K HA -0.074 4.247 4.320 0.001 0.000 0.209 330 K C 1.916 178.506 176.600 -0.016 0.000 1.048 330 K CA 2.417 58.697 56.287 -0.011 0.000 0.927 330 K CB -0.577 31.913 32.500 -0.017 0.000 0.712 330 K HN 0.285 nan 8.250 nan 0.000 0.441 331 T N -0.106 114.427 114.554 -0.035 0.000 2.737 331 T HA -0.165 4.185 4.350 0.001 0.000 0.265 331 T C 2.003 176.668 174.700 -0.058 0.000 1.038 331 T CA 1.347 63.406 62.100 -0.069 0.000 1.144 331 T CB -0.869 67.927 68.868 -0.121 0.000 0.866 331 T HN 0.498 nan 8.240 nan 0.000 0.434 332 C N 2.121 121.419 119.300 -0.004 0.000 2.396 332 C HA -0.146 4.315 4.460 0.001 0.000 0.277 332 C C 3.011 178.035 174.990 0.056 0.000 1.231 332 C CA 0.971 60.029 59.018 0.068 0.000 1.775 332 C CB -1.520 26.278 27.740 0.098 0.000 2.036 332 C HN 0.581 nan 8.230 nan 0.000 0.484 333 A N 0.667 123.508 122.820 0.035 0.000 1.851 333 A HA 0.070 4.391 4.320 0.001 0.000 0.216 333 A C 2.598 180.209 177.584 0.045 0.000 1.195 333 A CA 2.820 54.883 52.037 0.042 0.000 0.622 333 A CB -1.484 17.537 19.000 0.036 0.000 0.831 333 A HN 1.021 nan 8.150 nan 0.000 0.444 334 A N -1.320 121.515 122.820 0.025 0.000 1.865 334 A HA -0.235 4.086 4.320 0.001 0.000 0.217 334 A C 2.090 179.699 177.584 0.042 0.000 1.191 334 A CA 1.801 53.853 52.037 0.026 0.000 0.623 334 A CB -0.677 18.323 19.000 0.001 0.000 0.826 334 A HN 0.530 nan 8.150 nan 0.000 0.444 335 Q N -1.203 118.610 119.800 0.022 0.000 2.248 335 Q HA -0.175 4.166 4.340 0.001 0.000 0.208 335 Q C 1.958 178.040 176.000 0.136 0.000 0.984 335 Q CA 1.211 57.050 55.803 0.061 0.000 0.875 335 Q CB -0.376 28.376 28.738 0.024 0.000 0.910 335 Q HN 0.553 nan 8.270 nan 0.000 0.433 336 L N -0.880 120.413 121.223 0.116 0.000 2.084 336 L HA -0.051 4.290 4.340 0.001 0.000 0.202 336 L C 2.238 179.185 176.870 0.128 0.000 1.074 336 L CA 0.957 55.866 54.840 0.116 0.000 0.757 336 L CB -0.689 41.420 42.059 0.084 0.000 0.918 336 L HN -0.100 nan 8.230 nan 0.000 0.444 337 V N -0.371 119.606 119.914 0.104 0.000 2.568 337 V HA -0.171 3.950 4.120 0.001 0.000 0.253 337 V C 1.400 177.573 176.094 0.130 0.000 1.072 337 V CA 1.497 63.862 62.300 0.108 0.000 1.084 337 V CB -0.824 31.048 31.823 0.081 0.000 0.676 337 V HN 0.639 nan 8.190 nan 0.000 0.469 338 S N -0.970 114.807 115.700 0.129 0.000 2.560 338 S HA 0.288 4.759 4.470 0.001 0.000 0.227 338 S C -0.412 174.285 174.600 0.162 0.000 1.280 338 S CA -0.555 57.717 58.200 0.118 0.000 1.260 338 S CB -0.486 62.758 63.200 0.074 0.000 1.002 338 S HN 0.419 nan 8.310 nan 0.000 0.509 339 Y N 2.734 123.072 120.300 0.063 0.000 2.346 339 Y HA 0.375 4.926 4.550 0.001 0.000 0.330 339 Y C -1.577 174.352 175.900 0.047 0.000 1.178 339 Y CA -1.781 56.359 58.100 0.066 0.000 1.331 339 Y CB 0.366 38.876 38.460 0.084 0.000 1.253 339 Y HN 0.188 nan 8.280 nan 0.000 0.529 340 P HA -0.083 nan 4.420 nan 0.000 0.218 340 P C 0.090 177.084 177.300 -0.510 0.000 1.146 340 P CA 1.653 64.428 63.100 -0.541 0.000 0.820 340 P CB -0.280 31.074 31.700 -0.577 0.000 0.778 341 G N 1.334 109.754 108.800 -0.633 0.000 2.629 341 G HA2 -0.338 3.622 3.960 0.001 0.000 0.334 341 G HA3 -0.338 3.622 3.960 0.001 0.000 0.334 341 G C 1.012 175.743 174.900 -0.282 0.000 0.208 341 G CA 0.682 45.623 45.100 -0.264 0.000 1.166 341 G HN 0.350 nan 8.290 nan 0.000 0.475 342 K N 1.962 122.026 120.400 -0.561 0.000 1.980 342 K HA -0.193 4.127 4.320 0.001 0.000 0.223 342 K C 0.912 177.469 176.600 -0.072 0.000 1.052 342 K CA 1.606 57.727 56.287 -0.276 0.000 0.974 342 K CB -0.131 32.203 32.500 -0.277 0.000 0.734 342 K HN 0.545 nan 8.250 nan 0.000 0.447 343 N N 1.373 120.117 118.700 0.074 0.000 2.472 343 N HA 0.065 4.806 4.740 0.001 0.000 0.277 343 N C -1.129 174.485 175.510 0.174 0.000 1.081 343 N CA -0.017 53.110 53.050 0.127 0.000 0.973 343 N CB 1.458 40.034 38.487 0.148 0.000 1.105 343 N HN 0.112 nan 8.380 nan 0.000 0.470 344 K N 2.901 123.365 120.400 0.107 0.000 2.453 344 K HA 0.070 4.390 4.320 0.001 0.000 0.280 344 K C -0.217 176.462 176.600 0.133 0.000 1.045 344 K CA 0.246 56.602 56.287 0.115 0.000 1.059 344 K CB -0.101 32.442 32.500 0.072 0.000 0.901 344 K HN 0.566 nan 8.250 nan 0.000 0.475 345 I N 1.828 122.508 120.570 0.182 0.000 3.067 345 I HA 0.525 4.695 4.170 0.001 0.000 0.312 345 I C -2.330 173.925 176.117 0.230 0.000 1.073 345 I CA -2.904 58.526 61.300 0.217 0.000 1.016 345 I CB 2.103 40.233 38.000 0.216 0.000 1.227 345 I HN 0.438 nan 8.210 nan 0.000 0.456 346 P HA 0.162 nan 4.420 nan 0.000 0.219 346 P C 0.632 178.057 177.300 0.208 0.000 1.847 346 P CA -0.355 62.802 63.100 0.095 0.000 1.059 346 P CB 0.966 32.579 31.700 -0.145 0.000 1.900 347 L N 2.961 124.370 121.223 0.310 0.000 2.064 347 L HA -0.259 4.082 4.340 0.001 0.000 0.216 347 L C 1.967 178.963 176.870 0.211 0.000 1.077 347 L CA 1.997 57.016 54.840 0.298 0.000 0.766 347 L CB -1.075 41.117 42.059 0.221 0.000 0.890 347 L HN 0.184 nan 8.230 nan 0.000 0.435 348 N N -1.157 117.643 118.700 0.167 0.000 2.036 348 N HA -0.267 4.474 4.740 0.001 0.000 0.195 348 N C 1.880 177.409 175.510 0.032 0.000 1.037 348 N CA 2.124 55.226 53.050 0.086 0.000 0.855 348 N CB -0.634 37.884 38.487 0.051 0.000 1.033 348 N HN 0.429 nan 8.380 nan 0.000 0.423 349 Y N 1.020 121.238 120.300 -0.137 0.000 2.333 349 Y HA -0.079 4.472 4.550 0.001 0.000 0.290 349 Y C 2.531 178.385 175.900 -0.076 0.000 1.144 349 Y CA 0.831 58.752 58.100 -0.298 0.000 1.228 349 Y CB -0.523 37.478 38.460 -0.764 0.000 0.985 349 Y HN 0.285 nan 8.280 nan 0.000 0.542 350 H N -0.770 118.403 119.070 0.172 0.000 2.333 350 H HA -0.062 4.495 4.556 0.001 0.000 0.302 350 H C 2.417 177.804 175.328 0.098 0.000 1.075 350 H CA 1.566 57.692 56.048 0.130 0.000 1.348 350 H CB -0.403 29.384 29.762 0.043 0.000 1.393 350 H HN 0.322 nan 8.280 nan 0.000 0.509 351 I N 0.233 120.919 120.570 0.194 0.000 2.076 351 I HA -0.272 3.899 4.170 0.001 0.000 0.237 351 I C 2.566 178.742 176.117 0.098 0.000 1.059 351 I CA 1.098 62.457 61.300 0.099 0.000 1.317 351 I CB -0.379 37.664 38.000 0.072 0.000 1.037 351 I HN -0.014 nan 8.210 nan 0.000 0.398 352 V N 0.642 120.637 119.914 0.134 0.000 2.252 352 V HA -0.359 3.761 4.120 0.001 0.000 0.249 352 V C 2.494 178.775 176.094 0.311 0.000 1.056 352 V CA 2.327 64.733 62.300 0.175 0.000 1.022 352 V CB -0.791 31.192 31.823 0.267 0.000 0.641 352 V HN 0.502 nan 8.190 nan 0.000 0.445 353 E N -0.189 120.296 120.200 0.475 0.000 2.130 353 E HA -0.224 4.127 4.350 0.001 0.000 0.196 353 E C 2.125 178.902 176.600 0.295 0.000 0.998 353 E CA 1.799 58.484 56.400 0.476 0.000 0.806 353 E CB -0.039 30.036 29.700 0.625 0.000 0.738 353 E HN 0.479 nan 8.360 nan 0.000 0.459 354 V N 0.921 120.923 119.914 0.147 0.000 2.548 354 V HA -0.213 3.908 4.120 0.001 0.000 0.249 354 V C 2.200 178.275 176.094 -0.031 0.000 1.055 354 V CA 1.145 63.447 62.300 0.003 0.000 1.065 354 V CB -0.276 31.476 31.823 -0.118 0.000 0.681 354 V HN 0.295 nan 8.190 nan 0.000 0.462 355 I N -0.902 119.589 120.570 -0.131 0.000 2.110 355 I HA -0.187 3.984 4.170 0.001 0.000 0.236 355 I C 2.312 178.018 176.117 -0.684 0.000 1.068 355 I CA 1.761 62.827 61.300 -0.390 0.000 1.333 355 I CB -0.450 37.274 38.000 -0.459 0.000 1.054 355 I HN 0.197 nan 8.210 nan 0.000 0.402 356 F N 1.235 120.888 119.950 -0.495 0.000 2.202 356 F HA -0.243 4.285 4.527 0.001 0.000 0.301 356 F C 2.607 177.855 175.800 -0.919 0.000 1.082 356 F CA 1.359 58.972 58.000 -0.645 0.000 1.313 356 F CB -0.965 37.895 39.000 -0.234 0.000 1.024 356 F HN 0.041 nan 8.300 nan 0.000 0.495 357 A N -0.536 121.830 122.820 -0.757 0.000 1.940 357 A HA -0.204 4.117 4.320 0.001 0.000 0.219 357 A C 2.218 179.528 177.584 -0.456 0.000 1.176 357 A CA 1.900 53.436 52.037 -0.835 0.000 0.631 357 A CB -0.576 18.380 19.000 -0.072 0.000 0.814 357 A HN 0.436 nan 8.150 nan 0.000 0.446 358 E N -1.086 118.852 120.200 -0.437 0.000 2.060 358 E HA -0.067 4.284 4.350 0.001 0.000 0.189 358 E C 1.989 178.196 176.600 -0.655 0.000 0.974 358 E CA 0.821 56.938 56.400 -0.472 0.000 0.808 358 E CB -0.193 29.261 29.700 -0.411 0.000 0.768 358 E HN 0.492 nan 8.360 nan 0.000 0.453 359 L N 0.357 120.936 121.223 -1.072 0.000 2.042 359 L HA -0.171 4.170 4.340 0.001 0.000 0.210 359 L C 1.666 178.061 176.870 -0.791 0.000 1.076 359 L CA 1.746 55.956 54.840 -1.050 0.000 0.749 359 L CB -0.280 41.009 42.059 -1.284 0.000 0.893 359 L HN 0.022 nan 8.230 nan 0.000 0.432 360 F N -0.760 118.924 119.950 -0.442 0.000 2.765 360 F HA 0.208 4.736 4.527 0.001 0.000 0.302 360 F C 1.243 176.883 175.800 -0.268 0.000 1.111 360 F CA -0.284 57.511 58.000 -0.341 0.000 1.359 360 F CB -0.823 37.916 39.000 -0.434 0.000 1.097 360 F HN 0.134 nan 8.300 nan 0.000 0.577 361 Q N 2.311 122.005 119.800 -0.177 0.000 2.317 361 Q HA 0.024 4.365 4.340 0.001 0.000 0.286 361 Q C -0.517 175.433 176.000 -0.084 0.000 1.198 361 Q CA 0.068 55.795 55.803 -0.127 0.000 0.973 361 Q CB -0.022 28.606 28.738 -0.183 0.000 1.207 361 Q HN 0.350 nan 8.270 nan 0.000 0.416 362 L N 7.666 128.861 121.223 -0.046 0.000 2.349 362 L HA 0.224 4.565 4.340 0.001 0.000 0.275 362 L C -1.116 175.725 176.870 -0.049 0.000 1.115 362 L CA -1.585 53.235 54.840 -0.033 0.000 0.820 362 L CB 0.641 42.691 42.059 -0.015 0.000 1.135 362 L HN 0.674 nan 8.230 nan 0.000 0.445 363 P HA -0.068 nan 4.420 nan 0.000 0.208 363 P C 0.091 177.379 177.300 -0.020 0.000 1.203 363 P CA 0.682 63.786 63.100 0.007 0.000 0.920 363 P CB 0.303 32.055 31.700 0.087 0.000 0.769 364 A N 0.002 122.807 122.820 -0.025 0.000 2.306 364 A HA 0.664 4.985 4.320 0.001 0.000 0.330 364 A C -2.528 174.999 177.584 -0.094 0.000 1.146 364 A CA -1.895 50.109 52.037 -0.055 0.000 0.827 364 A CB -0.062 18.912 19.000 -0.045 0.000 1.178 364 A HN 0.078 nan 8.150 nan 0.000 0.490 365 P HA 0.276 nan 4.420 nan 0.000 0.274 365 P C -2.045 175.157 177.300 -0.164 0.000 1.256 365 P CA -1.071 61.961 63.100 -0.114 0.000 0.795 365 P CB 0.194 31.892 31.700 -0.004 0.000 1.038 366 P HA -0.065 nan 4.420 nan 0.000 0.222 366 P C 0.187 177.025 177.300 -0.769 0.000 1.153 366 P CA 1.597 64.394 63.100 -0.503 0.000 0.798 366 P CB 0.113 31.453 31.700 -0.600 0.000 0.796 367 H N -2.157 116.786 119.070 -0.210 0.000 3.436 367 H HA 0.378 4.935 4.556 0.001 0.000 0.312 367 H C -0.081 175.108 175.328 -0.232 0.000 1.675 367 H CA -1.168 54.642 56.048 -0.396 0.000 1.361 367 H CB 0.301 29.729 29.762 -0.558 0.000 1.731 367 H HN -0.187 nan 8.280 nan 0.000 0.732 368 I N 1.991 122.506 120.570 -0.093 0.000 2.342 368 I HA -0.002 4.169 4.170 0.001 0.000 0.291 368 I C 0.316 176.387 176.117 -0.077 0.000 1.010 368 I CA -0.361 60.914 61.300 -0.042 0.000 1.308 368 I CB 0.480 38.492 38.000 0.020 0.000 1.400 368 I HN 0.362 nan 8.210 nan 0.000 0.488 369 D N 5.016 125.451 120.400 0.058 0.000 2.192 369 D HA -0.266 4.375 4.640 0.001 0.000 0.189 369 D C 2.011 178.390 176.300 0.132 0.000 1.007 369 D CA 1.701 55.798 54.000 0.163 0.000 0.859 369 D CB -0.320 40.578 40.800 0.164 0.000 0.936 369 D HN 0.482 nan 8.370 nan 0.000 0.447 370 V N 0.549 120.530 119.914 0.111 0.000 2.453 370 V HA -0.263 3.858 4.120 0.001 0.000 0.252 370 V C 2.030 178.138 176.094 0.024 0.000 1.068 370 V CA 1.643 64.025 62.300 0.138 0.000 1.070 370 V CB -0.312 31.604 31.823 0.155 0.000 0.664 370 V HN 0.213 nan 8.190 nan 0.000 0.461 371 M N -0.622 118.908 119.600 -0.117 0.000 2.108 371 M HA -0.196 4.284 4.480 0.001 0.000 0.261 371 M C 2.184 178.341 176.300 -0.237 0.000 1.066 371 M CA 2.280 57.449 55.300 -0.219 0.000 1.107 371 M CB -0.819 31.560 32.600 -0.368 0.000 1.356 371 M HN 0.567 nan 8.290 nan 0.000 0.406 372 Y N 0.545 120.827 120.300 -0.030 0.000 2.145 372 Y HA -0.157 4.394 4.550 0.001 0.000 0.286 372 Y C 2.601 178.460 175.900 -0.068 0.000 1.145 372 Y CA 2.043 60.072 58.100 -0.120 0.000 1.148 372 Y CB -1.687 36.623 38.460 -0.251 0.000 0.981 372 Y HN 0.287 nan 8.280 nan 0.000 0.507 373 T N -0.547 114.123 114.554 0.193 0.000 2.624 373 T HA -0.268 4.083 4.350 0.001 0.000 0.268 373 T C 1.981 176.730 174.700 0.081 0.000 1.041 373 T CA 2.553 64.799 62.100 0.242 0.000 1.159 373 T CB -0.978 67.981 68.868 0.152 0.000 0.863 373 T HN 0.612 nan 8.240 nan 0.000 0.434 374 T N 1.434 115.991 114.554 0.005 0.000 2.788 374 T HA -0.035 4.315 4.350 0.001 0.000 0.268 374 T C 1.932 176.647 174.700 0.026 0.000 1.044 374 T CA 0.920 63.018 62.100 -0.003 0.000 1.139 374 T CB -0.650 68.206 68.868 -0.021 0.000 0.867 374 T HN 0.154 nan 8.240 nan 0.000 0.454 375 L N 1.328 122.560 121.223 0.015 0.000 1.989 375 L HA 0.108 4.448 4.340 0.001 0.000 0.211 375 L C 2.387 179.278 176.870 0.035 0.000 1.071 375 L CA 1.435 56.286 54.840 0.020 0.000 0.749 375 L CB -1.220 40.847 42.059 0.014 0.000 0.890 375 L HN 0.303 nan 8.230 nan 0.000 0.431 376 L N -0.883 120.352 121.223 0.021 0.000 2.043 376 L HA -0.292 4.048 4.340 0.001 0.000 0.212 376 L C 2.574 179.500 176.870 0.092 0.000 1.075 376 L CA 1.797 56.644 54.840 0.011 0.000 0.752 376 L CB -0.508 41.519 42.059 -0.054 0.000 0.891 376 L HN 0.309 nan 8.230 nan 0.000 0.432 377 I N -0.746 119.914 120.570 0.150 0.000 2.208 377 I HA -0.272 3.899 4.170 0.001 0.000 0.245 377 I C 2.610 178.843 176.117 0.193 0.000 1.097 377 I CA 1.101 62.568 61.300 0.279 0.000 1.363 377 I CB -0.358 37.796 38.000 0.256 0.000 1.051 377 I HN 0.286 nan 8.210 nan 0.000 0.413 378 E N 0.772 121.038 120.200 0.110 0.000 2.077 378 E HA -0.182 4.169 4.350 0.001 0.000 0.193 378 E C 2.379 179.030 176.600 0.084 0.000 0.989 378 E CA 1.177 57.626 56.400 0.081 0.000 0.800 378 E CB -0.341 29.388 29.700 0.048 0.000 0.746 378 E HN 0.495 nan 8.360 nan 0.000 0.452 379 L N 0.302 121.571 121.223 0.077 0.000 2.012 379 L HA -0.258 4.083 4.340 0.001 0.000 0.210 379 L C 2.759 179.680 176.870 0.084 0.000 1.073 379 L CA 1.220 56.101 54.840 0.069 0.000 0.748 379 L CB -0.478 41.613 42.059 0.052 0.000 0.891 379 L HN 0.198 nan 8.230 nan 0.000 0.431 380 C N -0.279 119.088 119.300 0.111 0.000 2.411 380 C HA -0.182 4.278 4.460 0.001 0.000 0.279 380 C C 2.744 177.811 174.990 0.127 0.000 1.288 380 C CA 0.826 59.917 59.018 0.121 0.000 1.764 380 C CB -0.852 26.985 27.740 0.161 0.000 1.974 380 C HN 0.439 nan 8.230 nan 0.000 0.498 381 K N 0.106 120.587 120.400 0.135 0.000 2.062 381 K HA -0.084 4.237 4.320 0.001 0.000 0.205 381 K C 1.910 178.557 176.600 0.078 0.000 1.051 381 K CA 0.816 57.169 56.287 0.110 0.000 0.941 381 K CB -0.342 32.216 32.500 0.097 0.000 0.719 381 K HN 0.264 nan 8.250 nan 0.000 0.440 382 L N 1.034 122.299 121.223 0.070 0.000 2.017 382 L HA -0.116 4.225 4.340 0.001 0.000 0.208 382 L C 0.438 177.341 176.870 0.056 0.000 1.073 382 L CA 1.879 56.753 54.840 0.056 0.000 0.745 382 L CB -0.038 42.052 42.059 0.052 0.000 0.894 382 L HN 0.110 nan 8.230 nan 0.000 0.432 383 Q N -0.549 119.287 119.800 0.060 0.000 2.788 383 Q HA 0.241 4.581 4.340 0.001 0.000 0.261 383 Q C -1.842 174.192 176.000 0.057 0.000 1.029 383 Q CA -1.612 54.225 55.803 0.056 0.000 0.848 383 Q CB 1.230 30.002 28.738 0.056 0.000 1.185 383 Q HN 0.258 nan 8.270 nan 0.000 0.482 384 P HA -0.114 nan 4.420 nan 0.000 0.217 384 P C 1.302 178.631 177.300 0.048 0.000 1.150 384 P CA 1.092 64.228 63.100 0.059 0.000 0.832 384 P CB 0.328 32.064 31.700 0.060 0.000 0.787 385 G N -0.678 108.148 108.800 0.045 0.000 2.471 385 G HA2 -0.181 3.780 3.960 0.001 0.000 0.219 385 G HA3 -0.181 3.780 3.960 0.001 0.000 0.219 385 G C 1.476 176.400 174.900 0.041 0.000 1.125 385 G CA 1.300 46.424 45.100 0.040 0.000 0.775 385 G HN 0.451 nan 8.290 nan 0.000 0.548 386 S N -1.144 114.582 115.700 0.044 0.000 3.039 386 S HA 0.215 4.686 4.470 0.001 0.000 0.251 386 S C 2.015 176.630 174.600 0.026 0.000 1.064 386 S CA 0.081 58.307 58.200 0.044 0.000 0.822 386 S CB -0.344 62.891 63.200 0.057 0.000 0.802 386 S HN 0.017 nan 8.310 nan 0.000 0.519 387 L N 2.990 124.228 121.223 0.026 0.000 2.013 387 L HA 0.024 4.365 4.340 0.001 0.000 0.212 387 L C -0.861 176.017 176.870 0.014 0.000 1.073 387 L CA 2.277 57.124 54.840 0.011 0.000 0.753 387 L CB -2.035 40.045 42.059 0.035 0.000 0.890 387 L HN 0.227 nan 8.230 nan 0.000 0.432 388 P HA -0.227 nan 4.420 nan 0.000 0.208 388 P C 1.481 178.803 177.300 0.037 0.000 1.180 388 P CA 1.544 64.662 63.100 0.029 0.000 0.935 388 P CB -0.076 31.634 31.700 0.016 0.000 0.785 389 Q N -0.779 119.036 119.800 0.025 0.000 2.224 389 Q HA -0.180 4.161 4.340 0.001 0.000 0.213 389 Q C 1.978 177.986 176.000 0.012 0.000 0.998 389 Q CA 1.841 57.660 55.803 0.026 0.000 0.895 389 Q CB -1.547 27.209 28.738 0.029 0.000 0.926 389 Q HN 0.148 nan 8.270 nan 0.000 0.417 390 V N -0.081 119.795 119.914 -0.064 0.000 2.255 390 V HA -0.215 3.906 4.120 0.001 0.000 0.243 390 V C 2.004 178.073 176.094 -0.041 0.000 1.038 390 V CA 1.387 63.551 62.300 -0.227 0.000 1.008 390 V CB -0.753 30.758 31.823 -0.520 0.000 0.645 390 V HN 0.285 nan 8.190 nan 0.000 0.449 391 L N 1.260 122.514 121.223 0.051 0.000 1.997 391 L HA -0.214 4.127 4.340 0.001 0.000 0.216 391 L C 2.487 179.513 176.870 0.260 0.000 1.074 391 L CA 2.564 57.526 54.840 0.204 0.000 0.763 391 L CB -1.182 41.029 42.059 0.254 0.000 0.890 391 L HN 0.280 nan 8.230 nan 0.000 0.434 392 A N -1.526 121.440 122.820 0.244 0.000 2.024 392 A HA -0.292 4.029 4.320 0.001 0.000 0.220 392 A C 2.305 180.043 177.584 0.256 0.000 1.164 392 A CA 1.895 54.123 52.037 0.317 0.000 0.643 392 A CB -0.643 18.507 19.000 0.250 0.000 0.806 392 A HN 0.712 nan 8.150 nan 0.000 0.451 393 Q N -1.007 118.896 119.800 0.171 0.000 2.212 393 Q HA 0.053 4.394 4.340 0.001 0.000 0.199 393 Q C 2.088 178.201 176.000 0.188 0.000 0.950 393 Q CA 0.952 56.852 55.803 0.163 0.000 0.863 393 Q CB -0.202 28.621 28.738 0.141 0.000 0.944 393 Q HN 0.611 nan 8.270 nan 0.000 0.465 394 A N 0.015 122.941 122.820 0.177 0.000 1.930 394 A HA -0.089 4.231 4.320 0.001 0.000 0.215 394 A C 2.139 179.712 177.584 -0.020 0.000 1.176 394 A CA 1.557 53.646 52.037 0.087 0.000 0.632 394 A CB -0.697 18.352 19.000 0.081 0.000 0.819 394 A HN 0.434 nan 8.150 nan 0.000 0.445 395 T N 0.009 114.635 114.554 0.119 0.000 2.622 395 T HA -0.194 4.156 4.350 0.001 0.000 0.266 395 T C 1.850 176.730 174.700 0.300 0.000 1.047 395 T CA 1.772 63.979 62.100 0.178 0.000 1.159 395 T CB -0.391 68.561 68.868 0.140 0.000 0.863 395 T HN 0.646 nan 8.240 nan 0.000 0.422 396 E N 1.186 121.604 120.200 0.363 0.000 2.086 396 E HA -0.219 4.132 4.350 0.001 0.000 0.205 396 E C 2.147 178.965 176.600 0.364 0.000 1.027 396 E CA 1.745 58.408 56.400 0.438 0.000 0.830 396 E CB -0.476 29.385 29.700 0.268 0.000 0.751 396 E HN 0.495 nan 8.360 nan 0.000 0.456 397 M N -0.419 119.294 119.600 0.189 0.000 2.080 397 M HA -0.171 4.310 4.480 0.001 0.000 0.260 397 M C 2.331 178.641 176.300 0.018 0.000 1.068 397 M CA 1.474 56.821 55.300 0.078 0.000 1.109 397 M CB -0.306 32.295 32.600 0.003 0.000 1.342 397 M HN 0.188 nan 8.290 nan 0.000 0.405 398 L N -1.496 119.706 121.223 -0.034 0.000 2.042 398 L HA -0.248 4.093 4.340 0.001 0.000 0.210 398 L C 2.535 179.450 176.870 0.076 0.000 1.076 398 L CA 1.501 56.274 54.840 -0.112 0.000 0.749 398 L CB -0.872 40.849 42.059 -0.563 0.000 0.893 398 L HN 0.303 nan 8.230 nan 0.000 0.432 399 Y N 0.215 120.546 120.300 0.051 0.000 2.109 399 Y HA -0.286 4.264 4.550 0.001 0.000 0.285 399 Y C 2.725 178.587 175.900 -0.064 0.000 1.131 399 Y CA 1.591 59.619 58.100 -0.121 0.000 1.121 399 Y CB -0.079 38.271 38.460 -0.182 0.000 0.987 399 Y HN -0.020 nan 8.280 nan 0.000 0.495 400 M N 0.636 120.411 119.600 0.293 0.000 2.192 400 M HA -0.245 4.236 4.480 0.001 0.000 0.259 400 M C 1.784 178.047 176.300 -0.062 0.000 1.071 400 M CA 1.828 57.216 55.300 0.148 0.000 1.082 400 M CB -1.123 31.596 32.600 0.198 0.000 1.373 400 M HN 0.381 nan 8.290 nan 0.000 0.408 401 R N -0.699 119.741 120.500 -0.101 0.000 2.317 401 R HA 0.080 4.420 4.340 0.001 0.000 0.208 401 R C 1.775 178.055 176.300 -0.034 0.000 0.914 401 R CA -0.297 55.690 56.100 -0.189 0.000 1.060 401 R CB -0.099 29.895 30.300 -0.510 0.000 1.015 401 R HN 0.127 nan 8.270 nan 0.000 0.498 402 L N 2.030 123.222 121.223 -0.052 0.000 2.054 402 L HA -0.313 4.027 4.340 0.001 0.000 0.220 402 L C 1.506 178.382 176.870 0.011 0.000 1.081 402 L CA 1.871 56.689 54.840 -0.037 0.000 0.780 402 L CB -0.723 41.162 42.059 -0.291 0.000 0.893 402 L HN 0.248 nan 8.230 nan 0.000 0.438 403 D N -1.021 119.358 120.400 -0.036 0.000 2.157 403 D HA -0.225 4.416 4.640 0.001 0.000 0.191 403 D C 1.700 178.032 176.300 0.054 0.000 1.004 403 D CA 2.294 56.294 54.000 0.000 0.000 0.854 403 D CB -0.350 40.441 40.800 -0.015 0.000 0.936 403 D HN 0.531 nan 8.370 nan 0.000 0.446 404 T N -2.026 112.587 114.554 0.098 0.000 3.086 404 T HA 0.186 4.537 4.350 0.001 0.000 0.250 404 T C 0.918 175.754 174.700 0.227 0.000 1.074 404 T CA -0.351 61.834 62.100 0.142 0.000 0.988 404 T CB 0.124 69.068 68.868 0.127 0.000 0.988 404 T HN -0.004 nan 8.240 nan 0.000 0.530 405 M N 3.221 122.971 119.600 0.249 0.000 2.248 405 M HA 0.166 4.647 4.480 0.001 0.000 0.337 405 M C 0.336 176.603 176.300 -0.054 0.000 1.121 405 M CA -0.266 55.055 55.300 0.035 0.000 1.155 405 M CB 0.544 33.129 32.600 -0.025 0.000 1.514 405 M HN 0.143 nan 8.290 nan 0.000 0.452 406 N N 2.716 121.326 118.700 -0.151 0.000 2.497 406 N HA 0.033 4.774 4.740 0.001 0.000 0.271 406 N C 0.230 175.698 175.510 -0.071 0.000 1.142 406 N CA 0.171 53.164 53.050 -0.095 0.000 0.965 406 N CB 1.075 39.501 38.487 -0.102 0.000 1.077 406 N HN 0.805 nan 8.380 nan 0.000 0.462 407 T N 2.696 117.215 114.554 -0.059 0.000 2.624 407 T HA -0.223 4.128 4.350 0.001 0.000 0.266 407 T C 1.632 176.322 174.700 -0.016 0.000 1.050 407 T CA 2.516 64.588 62.100 -0.048 0.000 1.163 407 T CB -0.679 68.117 68.868 -0.121 0.000 0.861 407 T HN 0.664 nan 8.240 nan 0.000 0.443 408 T N 1.340 115.871 114.554 -0.038 0.000 2.685 408 T HA -0.192 4.159 4.350 0.001 0.000 0.268 408 T C 2.324 177.067 174.700 0.071 0.000 1.034 408 T CA 1.555 63.651 62.100 -0.007 0.000 1.149 408 T CB -0.990 67.863 68.868 -0.025 0.000 0.860 408 T HN 0.512 nan 8.240 nan 0.000 0.449 409 C N 0.868 120.214 119.300 0.077 0.000 2.446 409 C HA 0.023 4.484 4.460 0.001 0.000 0.277 409 C C 2.873 178.064 174.990 0.336 0.000 1.275 409 C CA -0.068 59.090 59.018 0.234 0.000 1.727 409 C CB -1.229 26.516 27.740 0.008 0.000 2.010 409 C HN 0.382 nan 8.230 nan 0.000 0.486 410 V N 1.710 121.749 119.914 0.207 0.000 2.231 410 V HA -0.276 3.845 4.120 0.001 0.000 0.248 410 V C 2.111 178.423 176.094 0.364 0.000 1.054 410 V CA 2.538 65.023 62.300 0.309 0.000 1.015 410 V CB -0.896 31.037 31.823 0.183 0.000 0.638 410 V HN 0.435 nan 8.190 nan 0.000 0.444 411 D N -0.254 120.288 120.400 0.237 0.000 2.127 411 D HA -0.228 4.413 4.640 0.001 0.000 0.190 411 D C 2.365 178.844 176.300 0.297 0.000 1.000 411 D CA 1.710 55.842 54.000 0.219 0.000 0.839 411 D CB -0.374 40.513 40.800 0.144 0.000 0.955 411 D HN 0.285 nan 8.370 nan 0.000 0.446 412 R N -0.807 119.871 120.500 0.297 0.000 2.139 412 R HA -0.124 4.217 4.340 0.001 0.000 0.243 412 R C 2.131 178.743 176.300 0.521 0.000 1.145 412 R CA 0.708 56.990 56.100 0.305 0.000 0.976 412 R CB -0.386 29.999 30.300 0.141 0.000 0.866 412 R HN 0.163 nan 8.270 nan 0.000 0.449 413 F N 1.053 121.291 119.950 0.480 0.000 2.084 413 F HA -0.106 4.422 4.527 0.001 0.000 0.296 413 F C 1.758 177.971 175.800 0.690 0.000 1.111 413 F CA 1.297 59.695 58.000 0.663 0.000 1.224 413 F CB -0.727 38.620 39.000 0.578 0.000 0.991 413 F HN -0.086 nan 8.300 nan 0.000 0.471 414 I N 0.550 121.450 120.570 0.550 0.000 2.208 414 I HA -0.391 3.780 4.170 0.001 0.000 0.245 414 I C 1.994 178.282 176.117 0.285 0.000 1.097 414 I CA 1.957 63.405 61.300 0.246 0.000 1.363 414 I CB -0.781 37.289 38.000 0.117 0.000 1.051 414 I HN 0.197 nan 8.210 nan 0.000 0.413 415 N N -0.337 118.567 118.700 0.340 0.000 2.166 415 N HA -0.230 4.511 4.740 0.001 0.000 0.186 415 N C 1.549 177.283 175.510 0.373 0.000 1.019 415 N CA 1.277 54.504 53.050 0.296 0.000 0.856 415 N CB -0.217 38.433 38.487 0.271 0.000 0.993 415 N HN 0.424 nan 8.380 nan 0.000 0.426 416 W N 1.414 122.942 121.300 0.379 0.000 2.381 416 W HA -0.096 4.565 4.660 0.002 0.000 0.323 416 W C 1.931 178.746 176.519 0.494 0.000 1.194 416 W CA 0.765 58.354 57.345 0.406 0.000 1.296 416 W CB -1.085 28.622 29.460 0.412 0.000 1.175 416 W HN -0.032 nan 8.180 nan 0.000 0.465 417 F N 2.552 122.293 119.950 -0.347 0.000 2.063 417 F HA -0.336 4.192 4.527 0.002 0.000 0.298 417 F C 2.904 178.513 175.800 -0.319 0.000 1.109 417 F CA 3.049 60.629 58.000 -0.701 0.000 1.212 417 F CB -1.288 37.666 39.000 -0.077 0.000 0.973 417 F HN 0.098 nan 8.300 nan 0.000 0.480 418 S N -1.138 114.466 115.700 -0.160 0.000 2.359 418 S HA -0.372 4.098 4.470 0.001 0.000 0.223 418 S C 2.174 176.692 174.600 -0.138 0.000 1.039 418 S CA 1.792 59.901 58.200 -0.152 0.000 1.042 418 S CB -1.564 61.648 63.200 0.020 0.000 0.915 418 S HN 0.736 nan 8.310 nan 0.000 0.439 419 H N 0.326 119.307 119.070 -0.147 0.000 2.290 419 H HA -0.209 4.348 4.556 0.001 0.000 0.298 419 H C 2.481 177.714 175.328 -0.158 0.000 1.087 419 H CA 1.826 57.813 56.048 -0.103 0.000 1.291 419 H CB -0.303 29.462 29.762 0.004 0.000 1.369 419 H HN 0.603 nan 8.280 nan 0.000 0.492 420 H N 0.617 119.511 119.070 -0.293 0.000 2.353 420 H HA -0.148 4.408 4.556 0.001 0.000 0.298 420 H C 2.324 177.535 175.328 -0.195 0.000 1.103 420 H CA 1.914 57.791 56.048 -0.285 0.000 1.293 420 H CB -0.463 28.934 29.762 -0.609 0.000 1.372 420 H HN 0.346 nan 8.280 nan 0.000 0.501 421 L N -0.191 120.695 121.223 -0.561 0.000 2.093 421 L HA -0.146 4.195 4.340 0.001 0.000 0.208 421 L C 2.597 178.966 176.870 -0.835 0.000 1.085 421 L CA 1.393 55.828 54.840 -0.675 0.000 0.755 421 L CB -0.434 41.190 42.059 -0.725 0.000 0.904 421 L HN 0.330 nan 8.230 nan 0.000 0.435 422 S N -0.854 114.339 115.700 -0.844 0.000 2.442 422 S HA -0.122 4.349 4.470 0.001 0.000 0.236 422 S C 1.554 175.873 174.600 -0.468 0.000 1.007 422 S CA 0.981 58.644 58.200 -0.895 0.000 0.965 422 S CB -0.376 62.622 63.200 -0.335 0.000 0.773 422 S HN 0.473 nan 8.310 nan 0.000 0.504 423 N N 0.059 118.545 118.700 -0.358 0.000 2.373 423 N HA 0.196 4.937 4.740 0.001 0.000 0.181 423 N C -0.771 174.311 175.510 -0.714 0.000 1.082 423 N CA 0.399 53.185 53.050 -0.440 0.000 0.885 423 N CB 0.227 38.465 38.487 -0.415 0.000 0.977 423 N HN 0.390 nan 8.380 nan 0.000 0.462 424 F N 1.368 121.150 119.950 -0.279 0.000 2.627 424 F HA 0.243 4.771 4.527 0.002 0.000 0.329 424 F C 0.028 175.722 175.800 -0.178 0.000 1.378 424 F CA -0.693 57.183 58.000 -0.208 0.000 1.134 424 F CB 0.434 39.281 39.000 -0.254 0.000 1.229 424 F HN -0.267 nan 8.300 nan 0.000 0.537 425 Q N -0.250 119.512 119.800 -0.063 0.000 2.372 425 Q HA -0.269 4.072 4.340 0.001 0.000 0.333 425 Q C 0.262 176.366 176.000 0.174 0.000 1.285 425 Q CA 0.647 56.488 55.803 0.062 0.000 0.983 425 Q CB -2.500 26.296 28.738 0.096 0.000 1.229 425 Q HN 0.608 nan 8.270 nan 0.000 0.442 426 F N -1.943 118.029 119.950 0.037 0.000 3.054 426 F HA -0.348 4.179 4.527 0.001 0.000 0.264 426 F C 0.655 176.546 175.800 0.152 0.000 0.956 426 F CA 0.943 58.980 58.000 0.061 0.000 0.882 426 F CB -0.564 38.473 39.000 0.062 0.000 0.841 426 F HN 0.194 nan 8.300 nan 0.000 0.720 427 R N 0.973 121.596 120.500 0.205 0.000 2.210 427 R HA 0.252 4.592 4.340 0.001 0.000 0.338 427 R C -0.272 176.132 176.300 0.175 0.000 1.062 427 R CA -0.051 56.164 56.100 0.193 0.000 0.902 427 R CB 0.729 31.105 30.300 0.127 0.000 1.050 427 R HN 0.523 nan 8.270 nan 0.000 0.461 428 W N 2.214 123.412 121.300 -0.170 0.000 3.274 428 W HA 0.104 4.765 4.660 0.001 0.000 0.327 428 W C -0.598 175.537 176.519 -0.640 0.000 1.172 428 W CA -0.692 56.316 57.345 -0.561 0.000 1.217 428 W CB 2.082 30.894 29.460 -1.080 0.000 1.376 428 W HN 0.501 nan 8.180 nan 0.000 0.507 429 S N 2.904 117.739 115.700 -1.443 0.000 4.183 429 S HA 0.002 4.472 4.470 0.001 0.000 0.195 429 S C 0.657 174.566 174.600 -1.150 0.000 1.421 429 S CA -0.504 57.061 58.200 -1.058 0.000 0.920 429 S CB -0.740 61.919 63.200 -0.900 0.000 1.525 429 S HN 0.523 nan 8.310 nan 0.000 0.447 430 W N 2.459 123.427 121.300 -0.554 0.000 2.305 430 W HA -0.225 4.436 4.660 0.001 0.000 0.308 430 W C 2.278 178.731 176.519 -0.110 0.000 1.226 430 W CA 1.202 58.395 57.345 -0.253 0.000 1.253 430 W CB -0.432 28.837 29.460 -0.319 0.000 1.146 430 W HN 0.591 nan 8.180 nan 0.000 0.507 431 E N 0.111 120.415 120.200 0.172 0.000 2.448 431 E HA -0.215 4.136 4.350 0.001 0.000 0.203 431 E C 0.931 177.605 176.600 0.123 0.000 1.046 431 E CA 1.475 58.023 56.400 0.246 0.000 0.871 431 E CB -0.757 29.023 29.700 0.134 0.000 0.790 431 E HN 0.472 nan 8.360 nan 0.000 0.545 432 D N -0.511 119.830 120.400 -0.098 0.000 2.289 432 D HA -0.065 4.576 4.640 0.001 0.000 0.207 432 D C 0.300 176.619 176.300 0.031 0.000 0.966 432 D CA 0.503 54.400 54.000 -0.171 0.000 0.868 432 D CB 0.094 40.593 40.800 -0.502 0.000 0.943 432 D HN 0.331 nan 8.370 nan 0.000 0.514 433 W N 1.198 122.595 121.300 0.162 0.000 2.937 433 W HA 0.257 4.918 4.660 0.001 0.000 0.435 433 W C 1.541 178.374 176.519 0.524 0.000 0.912 433 W CA -0.758 56.701 57.345 0.190 0.000 2.209 433 W CB -0.533 28.969 29.460 0.069 0.000 1.144 433 W HN -0.180 nan 8.180 nan 0.000 0.762 434 S N 0.976 117.023 115.700 0.578 0.000 2.555 434 S HA -0.139 4.332 4.470 0.001 0.000 0.230 434 S C 1.660 176.400 174.600 0.233 0.000 0.978 434 S CA 1.567 59.998 58.200 0.385 0.000 0.934 434 S CB -0.072 63.286 63.200 0.263 0.000 0.766 434 S HN 0.324 nan 8.310 nan 0.000 0.533 435 D N 0.880 121.468 120.400 0.313 0.000 2.269 435 D HA -0.091 4.550 4.640 0.001 0.000 0.208 435 D C 2.169 178.611 176.300 0.236 0.000 0.963 435 D CA 1.096 55.246 54.000 0.250 0.000 0.864 435 D CB -1.112 39.859 40.800 0.285 0.000 0.936 435 D HN 0.660 nan 8.370 nan 0.000 0.505 436 C N 0.062 119.552 119.300 0.317 0.000 2.467 436 C HA 0.200 4.661 4.460 0.001 0.000 0.279 436 C C 2.850 177.914 174.990 0.124 0.000 1.347 436 C CA -0.310 58.865 59.018 0.261 0.000 1.748 436 C CB -1.578 26.404 27.740 0.403 0.000 1.977 436 C HN 0.211 nan 8.230 nan 0.000 0.501 437 L N 2.791 124.021 121.223 0.012 0.000 2.189 437 L HA -0.119 4.222 4.340 0.001 0.000 0.214 437 L C 2.402 179.263 176.870 -0.015 0.000 1.097 437 L CA 1.986 56.770 54.840 -0.094 0.000 0.764 437 L CB -0.633 41.273 42.059 -0.254 0.000 0.900 437 L HN 0.651 nan 8.230 nan 0.000 0.436 438 S N -2.067 113.649 115.700 0.026 0.000 2.618 438 S HA 0.262 4.733 4.470 0.001 0.000 0.242 438 S C 0.304 174.936 174.600 0.053 0.000 0.972 438 S CA -0.591 57.631 58.200 0.036 0.000 1.004 438 S CB 0.092 63.316 63.200 0.041 0.000 0.778 438 S HN 0.375 nan 8.310 nan 0.000 0.459 439 Q N 0.765 120.603 119.800 0.063 0.000 2.416 439 Q HA 0.391 4.732 4.340 0.001 0.000 0.279 439 Q C -1.412 174.628 176.000 0.066 0.000 1.101 439 Q CA -0.934 54.910 55.803 0.069 0.000 0.830 439 Q CB 1.253 30.041 28.738 0.083 0.000 1.402 439 Q HN 0.300 nan 8.270 nan 0.000 0.445 440 D N 0.912 121.352 120.400 0.066 0.000 2.493 440 D HA -0.015 4.626 4.640 0.001 0.000 0.240 440 D C -1.673 174.675 176.300 0.080 0.000 1.142 440 D CA -1.036 53.005 54.000 0.069 0.000 0.872 440 D CB 0.949 41.792 40.800 0.071 0.000 1.173 440 D HN 0.149 nan 8.370 nan 0.000 0.467 441 P HA -0.148 nan 4.420 nan 0.000 0.218 441 P C 0.288 177.651 177.300 0.106 0.000 1.148 441 P CA 1.115 64.270 63.100 0.093 0.000 0.822 441 P CB 0.137 31.889 31.700 0.087 0.000 0.784 442 E N -0.941 119.325 120.200 0.110 0.000 2.427 442 E HA 0.026 4.377 4.350 0.001 0.000 0.196 442 E C 0.332 177.002 176.600 0.117 0.000 1.028 442 E CA 0.237 56.714 56.400 0.128 0.000 0.864 442 E CB -0.195 29.592 29.700 0.145 0.000 0.813 442 E HN 0.206 nan 8.360 nan 0.000 0.514 443 S N 1.868 117.627 115.700 0.099 0.000 2.564 443 S HA 0.045 4.515 4.470 0.001 0.000 0.278 443 S C -1.666 172.977 174.600 0.073 0.000 1.333 443 S CA -1.244 57.005 58.200 0.082 0.000 1.048 443 S CB 1.099 64.341 63.200 0.070 0.000 0.900 443 S HN -0.062 nan 8.310 nan 0.000 0.505 444 P HA -0.204 nan 4.420 nan 0.000 0.213 444 P C 1.256 178.559 177.300 0.005 0.000 1.176 444 P CA 1.478 64.596 63.100 0.030 0.000 0.919 444 P CB 0.120 31.819 31.700 -0.002 0.000 0.791 445 K N -0.723 119.622 120.400 -0.092 0.000 2.000 445 K HA -0.169 4.152 4.320 0.001 0.000 0.218 445 K C -0.300 176.357 176.600 0.095 0.000 1.053 445 K CA 2.705 58.872 56.287 -0.199 0.000 0.946 445 K CB -2.257 30.083 32.500 -0.266 0.000 0.723 445 K HN 0.328 nan 8.250 nan 0.000 0.446 446 P HA -0.205 nan 4.420 nan 0.000 0.217 446 P C 1.138 178.552 177.300 0.190 0.000 1.150 446 P CA 1.444 64.673 63.100 0.215 0.000 0.832 446 P CB -0.021 31.777 31.700 0.164 0.000 0.787 447 K N -0.930 119.560 120.400 0.148 0.000 2.152 447 K HA -0.180 4.141 4.320 0.001 0.000 0.206 447 K C 2.075 178.751 176.600 0.127 0.000 1.048 447 K CA 1.028 57.394 56.287 0.131 0.000 0.933 447 K CB -0.540 32.032 32.500 0.120 0.000 0.721 447 K HN -0.006 nan 8.250 nan 0.000 0.447 448 F N 1.425 121.377 119.950 0.004 0.000 2.014 448 F HA -0.245 4.283 4.527 0.002 0.000 0.295 448 F C 1.885 177.696 175.800 0.019 0.000 1.145 448 F CA 1.815 59.785 58.000 -0.049 0.000 1.178 448 F CB -0.731 38.159 39.000 -0.183 0.000 0.972 448 F HN -0.198 nan 8.300 nan 0.000 0.476 449 V N 0.912 120.829 119.914 0.006 0.000 2.370 449 V HA -0.346 3.775 4.120 0.001 0.000 0.252 449 V C 2.513 178.582 176.094 -0.041 0.000 1.068 449 V CA 2.323 64.635 62.300 0.020 0.000 1.061 449 V CB -1.213 30.851 31.823 0.401 0.000 0.656 449 V HN 0.341 nan 8.190 nan 0.000 0.455 450 R N 0.141 120.655 120.500 0.023 0.000 2.109 450 R HA -0.148 4.193 4.340 0.001 0.000 0.227 450 R C 2.528 178.808 176.300 -0.033 0.000 1.132 450 R CA 1.816 57.928 56.100 0.021 0.000 0.907 450 R CB -0.392 29.950 30.300 0.070 0.000 0.825 450 R HN 0.473 nan 8.270 nan 0.000 0.432 451 E N 0.089 120.268 120.200 -0.035 0.000 2.233 451 E HA -0.199 4.151 4.350 0.001 0.000 0.199 451 E C 2.011 178.555 176.600 -0.092 0.000 1.004 451 E CA 1.226 57.611 56.400 -0.024 0.000 0.819 451 E CB -0.219 29.484 29.700 0.004 0.000 0.738 451 E HN 0.221 nan 8.360 nan 0.000 0.478 452 V N 1.245 121.014 119.914 -0.242 0.000 2.229 452 V HA -0.255 3.866 4.120 0.001 0.000 0.243 452 V C 2.550 178.601 176.094 -0.072 0.000 1.042 452 V CA 1.560 63.726 62.300 -0.223 0.000 1.000 452 V CB -0.550 31.039 31.823 -0.391 0.000 0.637 452 V HN 0.176 nan 8.190 nan 0.000 0.446 453 L N -0.024 121.151 121.223 -0.080 0.000 2.043 453 L HA -0.259 4.082 4.340 0.001 0.000 0.212 453 L C 2.597 179.413 176.870 -0.090 0.000 1.075 453 L CA 2.205 56.983 54.840 -0.103 0.000 0.752 453 L CB -0.742 41.209 42.059 -0.179 0.000 0.891 453 L HN 0.463 nan 8.230 nan 0.000 0.432 454 E N 0.465 120.630 120.200 -0.057 0.000 2.130 454 E HA -0.319 4.032 4.350 0.001 0.000 0.196 454 E C 2.124 178.728 176.600 0.006 0.000 0.998 454 E CA 1.679 58.068 56.400 -0.020 0.000 0.806 454 E CB 0.115 29.833 29.700 0.030 0.000 0.738 454 E HN 0.256 nan 8.360 nan 0.000 0.459 455 K N -0.186 120.226 120.400 0.020 0.000 2.116 455 K HA -0.021 4.300 4.320 0.001 0.000 0.203 455 K C 2.019 178.650 176.600 0.051 0.000 1.052 455 K CA 1.148 57.463 56.287 0.047 0.000 0.952 455 K CB -0.155 32.378 32.500 0.055 0.000 0.729 455 K HN 0.211 nan 8.250 nan 0.000 0.446 456 C N 0.541 119.873 119.300 0.054 0.000 2.413 456 C HA -0.093 4.368 4.460 0.001 0.000 0.277 456 C C 2.558 177.544 174.990 -0.007 0.000 1.265 456 C CA 0.822 59.920 59.018 0.134 0.000 1.752 456 C CB -0.763 27.073 27.740 0.160 0.000 1.998 456 C HN 0.606 nan 8.230 nan 0.000 0.489 457 M N 0.998 120.543 119.600 -0.092 0.000 2.065 457 M HA -0.231 4.250 4.480 0.001 0.000 0.259 457 M C 2.436 178.723 176.300 -0.021 0.000 1.069 457 M CA 1.856 57.085 55.300 -0.118 0.000 1.110 457 M CB -0.358 32.176 32.600 -0.109 0.000 1.328 457 M HN 0.276 nan 8.290 nan 0.000 0.405 458 R N 0.150 120.663 120.500 0.022 0.000 2.193 458 R HA -0.058 4.283 4.340 0.001 0.000 0.229 458 R C 1.853 178.182 176.300 0.049 0.000 1.110 458 R CA 1.148 57.277 56.100 0.048 0.000 0.988 458 R CB -0.436 29.907 30.300 0.072 0.000 0.871 458 R HN 0.458 nan 8.270 nan 0.000 0.458 459 L N -0.031 121.238 121.223 0.077 0.000 2.591 459 L HA 0.061 4.401 4.340 0.001 0.000 0.228 459 L C 1.013 177.977 176.870 0.157 0.000 1.133 459 L CA 0.104 55.013 54.840 0.115 0.000 0.880 459 L CB -0.085 42.082 42.059 0.179 0.000 1.033 459 L HN 0.232 nan 8.230 nan 0.000 0.450 460 S N -1.812 113.956 115.700 0.114 0.000 4.151 460 S HA 0.362 4.833 4.470 0.001 0.000 0.220 460 S C -1.233 173.490 174.600 0.205 0.000 1.151 460 S CA -0.568 57.729 58.200 0.162 0.000 1.347 460 S CB 0.806 64.019 63.200 0.022 0.000 1.781 460 S HN 0.044 nan 8.310 nan 0.000 0.681 461 Y N -0.674 119.568 120.300 -0.097 0.000 2.504 461 Y HA 0.639 5.191 4.550 0.002 0.000 0.344 461 Y C 0.988 176.847 175.900 -0.067 0.000 1.023 461 Y CA -1.031 57.023 58.100 -0.076 0.000 1.020 461 Y CB 0.014 38.436 38.460 -0.063 0.000 1.282 461 Y HN 0.794 nan 8.280 nan 0.000 0.454 462 H N 1.360 120.373 119.070 -0.095 0.000 2.407 462 H HA -0.251 4.306 4.556 0.001 0.000 0.293 462 H C 1.335 176.533 175.328 -0.217 0.000 1.122 462 H CA 3.015 58.970 56.048 -0.155 0.000 1.232 462 H CB 0.280 29.986 29.762 -0.094 0.000 1.361 462 H HN 0.904 nan 8.280 nan 0.000 0.498 463 Q N 0.416 120.226 119.800 0.018 0.000 2.046 463 Q HA -0.059 4.281 4.340 0.001 0.000 0.200 463 Q C 2.575 178.376 176.000 -0.332 0.000 0.975 463 Q CA 1.078 56.849 55.803 -0.052 0.000 0.836 463 Q CB -0.280 28.498 28.738 0.066 0.000 0.896 463 Q HN 0.184 nan 8.270 nan 0.000 0.428 464 R N 0.182 120.226 120.500 -0.759 0.000 2.133 464 R HA -0.152 4.189 4.340 0.001 0.000 0.247 464 R C 1.773 177.760 176.300 -0.523 0.000 1.151 464 R CA 1.246 56.915 56.100 -0.720 0.000 0.971 464 R CB -0.476 29.187 30.300 -1.061 0.000 0.866 464 R HN 0.350 nan 8.270 nan 0.000 0.447 465 I N 0.834 121.078 120.570 -0.544 0.000 2.252 465 I HA -0.234 3.937 4.170 0.001 0.000 0.245 465 I C 2.369 178.268 176.117 -0.363 0.000 1.102 465 I CA 0.893 61.898 61.300 -0.491 0.000 1.385 465 I CB -1.182 36.517 38.000 -0.502 0.000 1.064 465 I HN 0.142 nan 8.210 nan 0.000 0.414 466 L N 0.440 121.482 121.223 -0.303 0.000 2.191 466 L HA -0.189 4.152 4.340 0.001 0.000 0.212 466 L C 1.827 178.611 176.870 -0.145 0.000 1.103 466 L CA 1.056 55.779 54.840 -0.195 0.000 0.769 466 L CB -0.513 41.480 42.059 -0.110 0.000 0.908 466 L HN 0.248 nan 8.230 nan 0.000 0.438 467 D N 0.084 120.391 120.400 -0.154 0.000 2.305 467 D HA -0.028 4.613 4.640 0.001 0.000 0.206 467 D C 2.037 178.292 176.300 -0.074 0.000 0.974 467 D CA 0.894 54.837 54.000 -0.095 0.000 0.871 467 D CB 0.285 41.035 40.800 -0.083 0.000 0.947 467 D HN 0.522 nan 8.370 nan 0.000 0.516 468 I N -1.327 119.174 120.570 -0.116 0.000 3.427 468 I HA 0.028 4.199 4.170 0.001 0.000 0.288 468 I C 0.773 176.845 176.117 -0.076 0.000 1.249 468 I CA -0.189 61.091 61.300 -0.034 0.000 1.421 468 I CB 0.071 38.068 38.000 -0.005 0.000 1.086 468 I HN -0.262 nan 8.210 nan 0.000 0.448 469 V N -1.571 118.201 119.914 -0.237 0.000 2.837 469 V HA 0.678 4.799 4.120 0.001 0.000 0.310 469 V C -2.502 173.523 176.094 -0.115 0.000 1.059 469 V CA -2.078 59.991 62.300 -0.385 0.000 1.004 469 V CB 0.262 31.783 31.823 -0.502 0.000 1.045 469 V HN -0.065 nan 8.190 nan 0.000 0.465 470 P HA 0.374 nan 4.420 nan 0.000 0.274 470 P C -2.241 175.142 177.300 0.138 0.000 1.237 470 P CA -1.435 61.748 63.100 0.138 0.000 0.793 470 P CB 0.149 32.029 31.700 0.300 0.000 0.977 471 P HA -0.185 nan 4.420 nan 0.000 0.216 471 P C 1.220 178.564 177.300 0.073 0.000 1.153 471 P CA 1.877 65.018 63.100 0.069 0.000 0.858 471 P CB -0.515 31.216 31.700 0.051 0.000 0.789 472 T N -4.631 109.972 114.554 0.083 0.000 3.051 472 T HA -0.060 4.291 4.350 0.001 0.000 0.269 472 T C 1.303 175.960 174.700 -0.071 0.000 1.127 472 T CA 0.806 62.904 62.100 -0.002 0.000 1.107 472 T CB -1.115 67.725 68.868 -0.048 0.000 0.898 472 T HN 0.010 nan 8.240 nan 0.000 0.517 473 F N 0.966 120.925 119.950 0.016 0.000 2.776 473 F HA 0.349 4.877 4.527 0.001 0.000 0.300 473 F C 2.599 178.371 175.800 -0.046 0.000 1.116 473 F CA -0.181 57.818 58.000 -0.002 0.000 1.375 473 F CB -0.048 38.929 39.000 -0.038 0.000 1.109 473 F HN 0.138 nan 8.300 nan 0.000 0.585 474 S N 0.367 116.127 115.700 0.100 0.000 2.407 474 S HA -0.284 4.187 4.470 0.001 0.000 0.235 474 S C 2.389 177.006 174.600 0.029 0.000 1.036 474 S CA 1.373 59.593 58.200 0.034 0.000 1.013 474 S CB -0.292 62.922 63.200 0.023 0.000 0.820 474 S HN 0.388 nan 8.310 nan 0.000 0.476 475 A N 1.100 123.940 122.820 0.033 0.000 1.877 475 A HA 0.063 4.384 4.320 0.001 0.000 0.216 475 A C 1.955 179.566 177.584 0.045 0.000 1.186 475 A CA 1.308 53.363 52.037 0.030 0.000 0.620 475 A CB -0.628 18.381 19.000 0.014 0.000 0.822 475 A HN 0.583 nan 8.150 nan 0.000 0.443 476 L N -0.221 121.045 121.223 0.071 0.000 2.627 476 L HA 0.017 4.358 4.340 0.001 0.000 0.233 476 L C 0.444 177.335 176.870 0.035 0.000 1.144 476 L CA -0.735 54.156 54.840 0.085 0.000 0.892 476 L CB -0.745 41.414 42.059 0.166 0.000 1.039 476 L HN 0.313 nan 8.230 nan 0.000 0.442 477 C N 0.512 119.809 119.300 -0.004 0.000 2.656 477 C HA 0.228 4.689 4.460 0.001 0.000 0.391 477 C C -1.454 173.492 174.990 -0.075 0.000 1.300 477 C CA -0.996 57.968 59.018 -0.090 0.000 2.302 477 C CB 0.266 27.928 27.740 -0.131 0.000 2.655 477 C HN 0.142 nan 8.230 nan 0.000 0.656 478 P HA 0.267 nan 4.420 nan 0.000 0.269 478 P C -0.590 176.764 177.300 0.089 0.000 1.209 478 P CA 0.173 63.231 63.100 -0.070 0.000 0.776 478 P CB 0.361 31.969 31.700 -0.152 0.000 0.876 479 A N 2.564 125.459 122.820 0.125 0.000 2.327 479 A HA 0.211 4.532 4.320 0.001 0.000 0.255 479 A C 0.408 178.105 177.584 0.189 0.000 1.099 479 A CA -0.130 51.993 52.037 0.143 0.000 0.801 479 A CB -0.306 18.739 19.000 0.074 0.000 1.062 479 A HN 0.621 nan 8.150 nan 0.000 0.496 480 N N -0.657 118.042 118.700 -0.001 0.000 2.524 480 N HA 0.434 5.175 4.740 0.001 0.000 0.283 480 N C -2.499 172.955 175.510 -0.094 0.000 1.142 480 N CA -1.671 51.259 53.050 -0.200 0.000 0.984 480 N CB 1.039 39.276 38.487 -0.416 0.000 1.155 480 N HN 0.194 nan 8.380 nan 0.000 0.467 481 P HA 0.014 nan 4.420 nan 0.000 0.277 481 P C -0.884 176.440 177.300 0.039 0.000 1.617 481 P CA 0.233 63.224 63.100 -0.183 0.000 0.829 481 P CB -0.799 30.574 31.700 -0.545 0.000 1.774 482 T N -2.623 111.942 114.554 0.018 0.000 2.814 482 T HA 0.131 4.481 4.350 0.001 0.000 0.297 482 T C 0.409 175.083 174.700 -0.044 0.000 0.956 482 T CA -0.751 61.349 62.100 0.000 0.000 1.123 482 T CB 0.108 68.948 68.868 -0.046 0.000 0.902 482 T HN 0.083 nan 8.240 nan 0.000 0.528 483 C N 4.351 123.548 119.300 -0.172 0.000 2.652 483 C HA 0.464 4.925 4.460 0.001 0.000 0.412 483 C C 0.475 175.263 174.990 -0.336 0.000 1.294 483 C CA -0.813 57.856 59.018 -0.582 0.000 2.127 483 C CB -1.210 26.086 27.740 -0.740 0.000 2.691 483 C HN 0.901 nan 8.230 nan 0.000 0.615 484 I N 6.013 126.345 120.570 -0.396 0.000 2.388 484 I HA 0.197 4.367 4.170 0.001 0.000 0.281 484 I C -0.566 175.457 176.117 -0.157 0.000 1.046 484 I CA -0.109 61.058 61.300 -0.222 0.000 1.187 484 I CB 0.279 38.150 38.000 -0.215 0.000 1.351 484 I HN 0.691 nan 8.210 nan 0.000 0.472 485 Y N 6.898 127.052 120.300 -0.243 0.000 2.535 485 Y HA 0.145 4.696 4.550 0.001 0.000 0.349 485 Y C 1.442 177.181 175.900 -0.269 0.000 0.992 485 Y CA -0.441 57.494 58.100 -0.276 0.000 1.248 485 Y CB 0.781 39.028 38.460 -0.355 0.000 1.124 485 Y HN 0.601 nan 8.280 nan 0.000 0.520 486 K N 3.994 124.259 120.400 -0.224 0.000 2.063 486 K HA -0.201 4.120 4.320 0.001 0.000 0.208 486 K C -0.393 175.939 176.600 -0.447 0.000 1.048 486 K CA 1.562 57.598 56.287 -0.417 0.000 0.928 486 K CB -0.028 32.066 32.500 -0.678 0.000 0.713 486 K HN 0.720 nan 8.250 nan 0.000 0.442 487 Y N -0.326 119.646 120.300 -0.546 0.000 2.696 487 Y HA 0.243 4.793 4.550 0.001 0.000 0.378 487 Y C 0.905 176.016 175.900 -1.314 0.000 1.012 487 Y CA -1.125 56.565 58.100 -0.684 0.000 1.396 487 Y CB 0.986 39.151 38.460 -0.491 0.000 1.415 487 Y HN 0.110 nan 8.280 nan 0.000 0.569 488 G N 0.008 108.268 108.800 -0.899 0.000 2.583 488 G HA2 -0.033 3.928 3.960 0.001 0.000 0.214 488 G HA3 -0.033 3.928 3.960 0.001 0.000 0.214 488 G C 0.591 175.346 174.900 -0.242 0.000 2.072 488 G CA -0.033 44.652 45.100 -0.692 0.000 0.745 488 G HN 0.202 nan 8.290 nan 0.000 0.762 489 D N 0.863 121.189 120.400 -0.123 0.000 2.328 489 D HA 0.108 4.748 4.640 0.001 0.000 0.221 489 D C 0.246 176.525 176.300 -0.035 0.000 1.072 489 D CA 0.053 54.024 54.000 -0.050 0.000 0.850 489 D CB 0.706 41.494 40.800 -0.020 0.000 0.922 489 D HN 0.293 nan 8.370 nan 0.000 0.516 490 E N 0.225 120.397 120.200 -0.047 0.000 2.417 490 E HA 0.024 4.375 4.350 0.001 0.000 0.261 490 E C 0.576 177.186 176.600 0.016 0.000 1.000 490 E CA 0.131 56.523 56.400 -0.014 0.000 0.919 490 E CB 0.611 30.310 29.700 -0.002 0.000 0.955 490 E HN -0.256 nan 8.360 nan 0.000 0.455 491 S N 2.113 117.805 115.700 -0.013 0.000 2.631 491 S HA 0.026 4.497 4.470 0.001 0.000 0.217 491 S C -0.123 174.431 174.600 -0.076 0.000 0.958 491 S CA -0.150 58.032 58.200 -0.030 0.000 0.920 491 S CB 0.357 63.540 63.200 -0.028 0.000 0.776 491 S HN 0.359 nan 8.310 nan 0.000 0.517 492 S N 3.423 119.078 115.700 -0.075 0.000 3.036 492 S HA 0.220 4.691 4.470 0.001 0.000 0.301 492 S C 0.804 175.232 174.600 -0.287 0.000 1.205 492 S CA -0.570 57.562 58.200 -0.114 0.000 0.999 492 S CB -0.020 63.152 63.200 -0.046 0.000 1.337 492 S HN 0.426 nan 8.310 nan 0.000 0.515 493 N N 1.540 119.988 118.700 -0.419 0.000 2.422 493 N HA -0.058 4.683 4.740 0.001 0.000 0.181 493 N C 1.561 176.785 175.510 -0.477 0.000 1.080 493 N CA 0.390 52.946 53.050 -0.824 0.000 0.893 493 N CB 0.076 38.265 38.487 -0.496 0.000 0.973 493 N HN 0.645 nan 8.380 nan 0.000 0.456 494 S N 0.336 115.881 115.700 -0.258 0.000 2.595 494 S HA 0.028 4.498 4.470 0.001 0.000 0.235 494 S C 0.778 175.311 174.600 -0.112 0.000 0.974 494 S CA 0.093 58.205 58.200 -0.147 0.000 0.942 494 S CB -0.494 62.651 63.200 -0.092 0.000 0.766 494 S HN 0.172 nan 8.310 nan 0.000 0.536 495 L N 2.196 123.337 121.223 -0.137 0.000 2.265 495 L HA 0.452 4.793 4.340 0.001 0.000 0.288 495 L C -2.371 174.430 176.870 -0.114 0.000 1.058 495 L CA -2.529 52.283 54.840 -0.047 0.000 0.809 495 L CB 0.669 42.790 42.059 0.103 0.000 1.179 495 L HN -0.044 nan 8.230 nan 0.000 0.429 496 P HA -0.024 nan 4.420 nan 0.000 0.267 496 P C 0.804 177.991 177.300 -0.188 0.000 1.201 496 P CA 0.427 63.471 63.100 -0.094 0.000 0.775 496 P CB 0.520 32.196 31.700 -0.039 0.000 0.854 497 G N 0.757 109.465 108.800 -0.153 0.000 2.233 497 G HA2 -0.368 3.593 3.960 0.001 0.000 0.270 497 G HA3 -0.368 3.593 3.960 0.001 0.000 0.270 497 G C 1.025 175.707 174.900 -0.363 0.000 1.011 497 G CA 1.082 46.066 45.100 -0.193 0.000 0.762 497 G HN 0.728 nan 8.290 nan 0.000 0.511 498 H N 0.882 119.663 119.070 -0.482 0.000 2.352 498 H HA -0.039 4.518 4.556 0.002 0.000 0.299 498 H C 2.704 177.858 175.328 -0.290 0.000 1.097 498 H CA 2.665 58.398 56.048 -0.525 0.000 1.311 498 H CB 0.017 29.581 29.762 -0.331 0.000 1.377 498 H HN 0.426 nan 8.280 nan 0.000 0.504 499 S N -0.773 114.829 115.700 -0.164 0.000 2.414 499 S HA -0.078 4.393 4.470 0.001 0.000 0.227 499 S C 2.417 176.938 174.600 -0.132 0.000 1.022 499 S CA 0.826 58.941 58.200 -0.141 0.000 0.958 499 S CB -0.219 62.942 63.200 -0.064 0.000 0.797 499 S HN 0.239 nan 8.310 nan 0.000 0.493 500 V N 2.560 122.402 119.914 -0.121 0.000 2.332 500 V HA -0.249 3.872 4.120 0.001 0.000 0.248 500 V C 2.775 178.833 176.094 -0.060 0.000 1.055 500 V CA 1.838 64.090 62.300 -0.081 0.000 1.038 500 V CB -1.373 30.414 31.823 -0.061 0.000 0.651 500 V HN 0.571 nan 8.190 nan 0.000 0.450 501 A N -0.246 122.536 122.820 -0.064 0.000 1.898 501 A HA -0.105 4.216 4.320 0.001 0.000 0.216 501 A C 2.202 179.796 177.584 0.017 0.000 1.181 501 A CA 1.659 53.724 52.037 0.047 0.000 0.620 501 A CB -0.510 18.583 19.000 0.155 0.000 0.819 501 A HN 0.512 nan 8.150 nan 0.000 0.442 502 L N -1.291 119.874 121.223 -0.096 0.000 2.141 502 L HA -0.204 4.137 4.340 0.001 0.000 0.209 502 L C 2.647 179.486 176.870 -0.051 0.000 1.094 502 L CA 0.982 55.772 54.840 -0.084 0.000 0.763 502 L CB -0.550 41.413 42.059 -0.160 0.000 0.908 502 L HN 0.515 nan 8.230 nan 0.000 0.437 503 C N -0.425 118.833 119.300 -0.069 0.000 2.475 503 C HA -0.038 4.423 4.460 0.001 0.000 0.279 503 C C 2.713 177.635 174.990 -0.112 0.000 1.322 503 C CA 0.301 59.273 59.018 -0.076 0.000 1.734 503 C CB -0.525 27.169 27.740 -0.077 0.000 2.005 503 C HN 0.411 nan 8.230 nan 0.000 0.495 504 L N 0.701 121.847 121.223 -0.129 0.000 2.056 504 L HA -0.113 4.228 4.340 0.001 0.000 0.207 504 L C 2.877 179.597 176.870 -0.250 0.000 1.078 504 L CA 1.488 56.154 54.840 -0.289 0.000 0.749 504 L CB -0.772 41.183 42.059 -0.173 0.000 0.901 504 L HN 0.349 nan 8.230 nan 0.000 0.433 505 A N 0.114 122.944 122.820 0.015 0.000 1.869 505 A HA -0.242 4.079 4.320 0.001 0.000 0.218 505 A C 2.236 179.871 177.584 0.084 0.000 1.203 505 A CA 2.568 54.693 52.037 0.147 0.000 0.638 505 A CB -1.131 17.953 19.000 0.140 0.000 0.831 505 A HN 0.235 nan 8.150 nan 0.000 0.450 506 V N -0.314 119.607 119.914 0.011 0.000 2.515 506 V HA -0.174 3.946 4.120 0.001 0.000 0.250 506 V C 2.931 179.008 176.094 -0.028 0.000 1.058 506 V CA 1.743 64.045 62.300 0.004 0.000 1.064 506 V CB -1.535 30.280 31.823 -0.012 0.000 0.675 506 V HN 0.657 nan 8.190 nan 0.000 0.461 507 A N 0.134 122.878 122.820 -0.127 0.000 1.877 507 A HA -0.167 4.153 4.320 0.001 0.000 0.216 507 A C 2.096 179.604 177.584 -0.126 0.000 1.186 507 A CA 1.837 53.757 52.037 -0.195 0.000 0.620 507 A CB -0.762 18.006 19.000 -0.386 0.000 0.822 507 A HN 0.490 nan 8.150 nan 0.000 0.443 508 F N -0.083 119.862 119.950 -0.009 0.000 2.134 508 F HA -0.147 4.380 4.527 0.000 0.000 0.299 508 F C 2.382 178.204 175.800 0.037 0.000 1.097 508 F CA 1.559 59.559 58.000 0.000 0.000 1.264 508 F CB -0.118 38.817 39.000 -0.109 0.000 1.001 508 F HN 0.100 nan 8.300 nan 0.000 0.479 509 K N -0.556 119.962 120.400 0.196 0.000 2.211 509 K HA -0.118 4.203 4.320 0.001 0.000 0.203 509 K C 2.027 178.678 176.600 0.084 0.000 1.050 509 K CA 1.201 57.558 56.287 0.116 0.000 0.945 509 K CB -0.242 32.307 32.500 0.081 0.000 0.732 509 K HN -0.002 nan 8.250 nan 0.000 0.451 510 S N 0.004 115.747 115.700 0.072 0.000 2.593 510 S HA 0.032 4.503 4.470 0.001 0.000 0.217 510 S C -0.276 174.364 174.600 0.066 0.000 0.966 510 S CA 0.220 58.450 58.200 0.051 0.000 0.914 510 S CB 0.006 63.221 63.200 0.025 0.000 0.776 510 S HN 0.138 nan 8.310 nan 0.000 0.523 511 K N 0.284 120.750 120.400 0.111 0.000 3.239 511 K HA -0.101 4.220 4.320 0.001 0.000 0.269 511 K C -0.125 176.550 176.600 0.126 0.000 1.193 511 K CA 0.743 57.107 56.287 0.128 0.000 0.803 511 K CB -2.341 30.205 32.500 0.076 0.000 1.320 511 K HN 0.450 nan 8.250 nan 0.000 0.509 512 A N 0.878 123.796 122.820 0.162 0.000 2.407 512 A HA 0.507 4.828 4.320 0.001 0.000 0.248 512 A C 1.021 178.730 177.584 0.208 0.000 1.082 512 A CA 0.565 52.678 52.037 0.126 0.000 0.785 512 A CB 0.352 19.368 19.000 0.026 0.000 1.020 512 A HN 0.440 nan 8.150 nan 0.000 0.489 513 T N -0.181 114.437 114.554 0.106 0.000 2.923 513 T HA 0.323 4.674 4.350 0.001 0.000 0.281 513 T C 0.921 175.655 174.700 0.056 0.000 0.995 513 T CA -0.243 61.890 62.100 0.055 0.000 0.985 513 T CB 0.538 69.411 68.868 0.009 0.000 1.114 513 T HN 0.536 nan 8.240 nan 0.000 0.548 514 N N 0.995 119.679 118.700 -0.027 0.000 2.036 514 N HA -0.147 4.594 4.740 0.001 0.000 0.195 514 N C 1.454 176.778 175.510 -0.311 0.000 1.037 514 N CA 1.866 54.797 53.050 -0.198 0.000 0.855 514 N CB -0.440 37.953 38.487 -0.158 0.000 1.033 514 N HN 0.640 nan 8.380 nan 0.000 0.423 515 D N 0.564 120.978 120.400 0.023 0.000 2.178 515 D HA -0.140 4.501 4.640 0.001 0.000 0.201 515 D C 1.212 177.569 176.300 0.095 0.000 0.980 515 D CA 0.916 55.041 54.000 0.209 0.000 0.842 515 D CB -0.151 40.752 40.800 0.171 0.000 0.948 515 D HN 0.515 nan 8.370 nan 0.000 0.472 516 E N -0.137 120.073 120.200 0.017 0.000 2.358 516 E HA -0.044 4.306 4.350 0.001 0.000 0.195 516 E C 1.799 178.360 176.600 -0.065 0.000 1.010 516 E CA 0.078 56.474 56.400 -0.007 0.000 0.856 516 E CB 0.418 30.116 29.700 -0.003 0.000 0.795 516 E HN 0.227 nan 8.360 nan 0.000 0.504 517 I N -0.292 120.200 120.570 -0.131 0.000 2.867 517 I HA -0.074 4.097 4.170 0.001 0.000 0.265 517 I C 1.602 177.593 176.117 -0.209 0.000 1.162 517 I CA 0.695 61.861 61.300 -0.224 0.000 1.471 517 I CB -0.538 37.321 38.000 -0.235 0.000 1.123 517 I HN 0.053 nan 8.210 nan 0.000 0.440 518 F N 1.250 121.155 119.950 -0.075 0.000 2.146 518 F HA -0.145 4.383 4.527 0.002 0.000 0.298 518 F C 2.964 178.717 175.800 -0.079 0.000 1.096 518 F CA 1.329 59.273 58.000 -0.094 0.000 1.275 518 F CB -1.199 37.760 39.000 -0.068 0.000 1.008 518 F HN -0.012 nan 8.300 nan 0.000 0.480 519 S N 0.562 116.341 115.700 0.131 0.000 2.359 519 S HA -0.185 4.286 4.470 0.001 0.000 0.222 519 S C 2.196 176.801 174.600 0.009 0.000 1.038 519 S CA 1.746 59.978 58.200 0.053 0.000 1.051 519 S CB -0.417 62.799 63.200 0.027 0.000 0.944 519 S HN 0.197 nan 8.310 nan 0.000 0.433 520 I N 1.499 122.053 120.570 -0.027 0.000 2.208 520 I HA -0.152 4.019 4.170 0.001 0.000 0.245 520 I C 2.333 178.429 176.117 -0.035 0.000 1.097 520 I CA 1.296 62.567 61.300 -0.049 0.000 1.363 520 I CB -1.611 36.333 38.000 -0.095 0.000 1.051 520 I HN 0.350 nan 8.210 nan 0.000 0.413 521 L N 0.433 121.641 121.223 -0.026 0.000 2.217 521 L HA -0.135 4.205 4.340 0.001 0.000 0.211 521 L C 2.518 179.385 176.870 -0.004 0.000 1.107 521 L CA 0.948 55.779 54.840 -0.015 0.000 0.783 521 L CB -0.433 41.613 42.059 -0.022 0.000 0.919 521 L HN 0.223 nan 8.230 nan 0.000 0.442 522 K N -0.488 119.917 120.400 0.008 0.000 2.209 522 K HA -0.162 4.159 4.320 0.001 0.000 0.204 522 K C 0.830 177.418 176.600 -0.020 0.000 1.048 522 K CA 0.767 57.051 56.287 -0.006 0.000 0.940 522 K CB -0.068 32.430 32.500 -0.003 0.000 0.729 522 K HN 0.160 nan 8.250 nan 0.000 0.451 523 D N 1.424 121.811 120.400 -0.021 0.000 2.896 523 D HA 0.084 4.725 4.640 0.001 0.000 0.240 523 D C -1.390 174.891 176.300 -0.032 0.000 1.193 523 D CA 0.136 54.120 54.000 -0.027 0.000 0.983 523 D CB 0.155 40.938 40.800 -0.028 0.000 1.074 523 D HN -0.213 nan 8.370 nan 0.000 0.496 524 V N 3.251 123.145 119.914 -0.033 0.000 2.760 524 V HA 0.380 4.501 4.120 0.001 0.000 0.309 524 V C -1.931 174.137 176.094 -0.043 0.000 1.077 524 V CA -1.211 61.066 62.300 -0.038 0.000 0.910 524 V CB 2.318 34.121 31.823 -0.032 0.000 1.008 524 V HN 0.268 nan 8.190 nan 0.000 0.424 525 P HA 0.440 nan 4.420 nan 0.000 0.281 525 P C -1.042 176.223 177.300 -0.059 0.000 1.264 525 P CA -0.378 62.694 63.100 -0.046 0.000 0.824 525 P CB 1.521 33.197 31.700 -0.040 0.000 1.092 540 N N 8.274 126.587 118.700 -0.645 0.000 2.540 540 N HA 0.331 5.072 4.740 0.001 0.000 0.275 540 N C -2.451 172.624 175.510 -0.725 0.000 1.053 540 N CA -1.580 51.087 53.050 -0.638 0.000 0.876 540 N CB 2.519 40.849 38.487 -0.262 0.000 1.284 540 N HN 0.265 nan 8.380 nan 0.000 0.518 541 P HA -0.141 nan 4.420 nan 0.000 0.215 541 P C 1.578 178.760 177.300 -0.196 0.000 1.157 541 P CA 0.651 63.351 63.100 -0.668 0.000 0.874 541 P CB 0.573 32.001 31.700 -0.454 0.000 0.790 542 L N -0.340 120.810 121.223 -0.123 0.000 2.095 542 L HA -0.003 4.338 4.340 0.001 0.000 0.204 542 L C 2.146 179.051 176.870 0.058 0.000 1.080 542 L CA 1.870 56.723 54.840 0.022 0.000 0.759 542 L CB -1.082 40.975 42.059 -0.004 0.000 0.914 542 L HN -0.230 nan 8.230 nan 0.000 0.439 543 K N -0.555 119.839 120.400 -0.010 0.000 2.152 543 K HA -0.156 4.165 4.320 0.001 0.000 0.206 543 K C 1.982 178.644 176.600 0.104 0.000 1.048 543 K CA 1.609 57.910 56.287 0.022 0.000 0.933 543 K CB -0.120 32.360 32.500 -0.033 0.000 0.721 543 K HN 0.390 nan 8.250 nan 0.000 0.447 544 I N 0.180 120.831 120.570 0.134 0.000 2.162 544 I HA -0.235 3.936 4.170 0.001 0.000 0.238 544 I C 2.411 178.715 176.117 0.312 0.000 1.076 544 I CA 1.125 62.583 61.300 0.263 0.000 1.353 544 I CB -0.380 37.819 38.000 0.331 0.000 1.063 544 I HN 0.251 nan 8.210 nan 0.000 0.408 545 E N 1.119 121.504 120.200 0.309 0.000 2.086 545 E HA -0.274 4.077 4.350 0.001 0.000 0.205 545 E C 2.059 178.822 176.600 0.272 0.000 1.027 545 E CA 2.793 59.353 56.400 0.267 0.000 0.830 545 E CB -0.069 29.810 29.700 0.298 0.000 0.751 545 E HN 0.439 nan 8.360 nan 0.000 0.456 546 V N -1.196 118.916 119.914 0.329 0.000 3.078 546 V HA -0.079 4.041 4.120 0.001 0.000 0.265 546 V C 1.881 178.165 176.094 0.317 0.000 1.122 546 V CA 1.436 63.953 62.300 0.362 0.000 1.141 546 V CB -0.685 31.289 31.823 0.251 0.000 0.735 546 V HN 0.286 nan 8.190 nan 0.000 0.498 547 F N 1.061 121.075 119.950 0.105 0.000 2.222 547 F HA 0.169 4.696 4.527 0.001 0.000 0.285 547 F C 2.147 177.953 175.800 0.010 0.000 1.068 547 F CA 1.644 59.663 58.000 0.032 0.000 1.265 547 F CB -0.377 38.582 39.000 -0.069 0.000 1.087 547 F HN -0.021 nan 8.300 nan 0.000 0.511 548 V N 1.133 121.007 119.914 -0.067 0.000 2.233 548 V HA -0.335 3.786 4.120 0.001 0.000 0.247 548 V C 2.553 178.573 176.094 -0.123 0.000 1.050 548 V CA 2.238 64.481 62.300 -0.095 0.000 1.010 548 V CB -0.986 30.922 31.823 0.141 0.000 0.637 548 V HN 0.371 nan 8.190 nan 0.000 0.444 549 Q N 0.049 119.829 119.800 -0.033 0.000 2.062 549 Q HA -0.253 4.088 4.340 0.001 0.000 0.209 549 Q C 2.369 178.292 176.000 -0.129 0.000 0.996 549 Q CA 2.788 58.562 55.803 -0.049 0.000 0.859 549 Q CB -0.855 27.903 28.738 0.033 0.000 0.920 549 Q HN 0.759 nan 8.270 nan 0.000 0.415 550 T N 1.375 115.916 114.554 -0.021 0.000 2.777 550 T HA -0.127 4.224 4.350 0.001 0.000 0.266 550 T C 1.830 176.349 174.700 -0.301 0.000 1.040 550 T CA 0.938 63.008 62.100 -0.051 0.000 1.141 550 T CB -0.246 68.781 68.868 0.266 0.000 0.868 550 T HN 0.085 nan 8.240 nan 0.000 0.444 551 L N 0.712 121.611 121.223 -0.540 0.000 2.156 551 L HA 0.233 4.573 4.340 0.001 0.000 0.208 551 L C 2.019 178.622 176.870 -0.446 0.000 1.095 551 L CA 1.305 55.629 54.840 -0.860 0.000 0.770 551 L CB -0.667 40.728 42.059 -1.107 0.000 0.914 551 L HN 0.241 nan 8.230 nan 0.000 0.439 552 L N -1.333 119.727 121.223 -0.273 0.000 2.291 552 L HA -0.177 4.163 4.340 0.001 0.000 0.214 552 L C 2.504 179.294 176.870 -0.133 0.000 1.120 552 L CA 0.925 55.715 54.840 -0.084 0.000 0.799 552 L CB -0.730 41.346 42.059 0.028 0.000 0.925 552 L HN 0.484 nan 8.230 nan 0.000 0.446 553 H N 0.770 119.599 119.070 -0.402 0.000 2.395 553 H HA -0.065 4.492 4.556 0.001 0.000 0.299 553 H C 2.084 177.240 175.328 -0.287 0.000 1.070 553 H CA 1.194 56.950 56.048 -0.486 0.000 1.356 553 H CB 0.357 29.506 29.762 -1.022 0.000 1.401 553 H HN 0.306 nan 8.280 nan 0.000 0.524 554 L N 0.064 121.078 121.223 -0.348 0.000 2.418 554 L HA 0.096 4.437 4.340 0.001 0.000 0.218 554 L C 2.125 178.877 176.870 -0.196 0.000 1.125 554 L CA 0.654 55.333 54.840 -0.268 0.000 0.835 554 L CB 0.038 41.993 42.059 -0.174 0.000 0.953 554 L HN 0.208 nan 8.230 nan 0.000 0.454 555 A N -0.534 122.200 122.820 -0.143 0.000 2.465 555 A HA 0.510 4.831 4.320 0.001 0.000 0.255 555 A C 2.015 179.660 177.584 0.103 0.000 1.274 555 A CA 0.526 52.566 52.037 0.005 0.000 0.920 555 A CB -0.063 18.932 19.000 -0.009 0.000 1.033 555 A HN 0.219 nan 8.150 nan 0.000 0.516 556 A N 0.403 123.276 122.820 0.089 0.000 2.066 556 A HA -0.001 4.320 4.320 0.001 0.000 0.218 556 A C 1.954 179.687 177.584 0.248 0.000 1.157 556 A CA 1.795 54.033 52.037 0.335 0.000 0.670 556 A CB -0.255 18.866 19.000 0.202 0.000 0.804 556 A HN 0.410 nan 8.150 nan 0.000 0.453 557 K N 1.086 121.577 120.400 0.153 0.000 2.001 557 K HA -0.125 4.196 4.320 0.001 0.000 0.214 557 K C 1.037 177.661 176.600 0.040 0.000 1.050 557 K CA 1.940 58.307 56.287 0.133 0.000 0.934 557 K CB -0.257 32.373 32.500 0.218 0.000 0.718 557 K HN 0.604 nan 8.250 nan 0.000 0.443 558 S N -2.607 113.062 115.700 -0.052 0.000 2.740 558 S HA 0.389 4.860 4.470 0.001 0.000 0.300 558 S C 0.461 174.957 174.600 -0.174 0.000 1.147 558 S CA -0.905 57.134 58.200 -0.268 0.000 0.871 558 S CB 0.515 63.379 63.200 -0.560 0.000 1.173 558 S HN 0.006 nan 8.310 nan 0.000 0.510 559 F N 0.992 120.652 119.950 -0.484 0.000 2.416 559 F HA 0.207 4.734 4.527 0.001 0.000 0.296 559 F C 2.869 178.249 175.800 -0.700 0.000 1.099 559 F CA 0.499 58.089 58.000 -0.684 0.000 1.427 559 F CB -1.045 37.605 39.000 -0.582 0.000 1.079 559 F HN 0.680 nan 8.300 nan 0.000 0.536 560 S N -0.744 114.794 115.700 -0.270 0.000 2.355 560 S HA -0.169 4.302 4.470 0.001 0.000 0.222 560 S C 2.116 176.679 174.600 -0.061 0.000 1.031 560 S CA 1.261 59.371 58.200 -0.151 0.000 0.993 560 S CB -0.272 62.815 63.200 -0.188 0.000 0.859 560 S HN 0.335 nan 8.310 nan 0.000 0.453 561 H N 0.854 119.905 119.070 -0.032 0.000 2.276 561 H HA 0.094 4.651 4.556 0.002 0.000 0.301 561 H C 2.715 178.031 175.328 -0.021 0.000 1.073 561 H CA 1.450 57.489 56.048 -0.015 0.000 1.311 561 H CB -1.245 28.500 29.762 -0.030 0.000 1.379 561 H HN 0.315 nan 8.280 nan 0.000 0.494 562 S N 0.385 116.088 115.700 0.005 0.000 2.380 562 S HA -0.166 4.305 4.470 0.001 0.000 0.229 562 S C 2.095 176.727 174.600 0.053 0.000 1.043 562 S CA 1.227 59.389 58.200 -0.062 0.000 1.038 562 S CB -0.449 62.584 63.200 -0.277 0.000 0.872 562 S HN 0.296 nan 8.310 nan 0.000 0.456 563 F N 1.552 121.487 119.950 -0.024 0.000 2.022 563 F HA -0.152 4.376 4.527 0.001 0.000 0.293 563 F C 3.017 178.834 175.800 0.028 0.000 1.142 563 F CA 0.875 58.857 58.000 -0.031 0.000 1.177 563 F CB -0.758 38.212 39.000 -0.050 0.000 0.982 563 F HN 0.258 nan 8.300 nan 0.000 0.473 564 S N 0.894 116.753 115.700 0.265 0.000 2.407 564 S HA -0.304 4.167 4.470 0.001 0.000 0.235 564 S C 1.969 176.682 174.600 0.187 0.000 1.036 564 S CA 1.000 59.306 58.200 0.176 0.000 1.013 564 S CB -1.099 62.193 63.200 0.152 0.000 0.820 564 S HN 0.375 nan 8.310 nan 0.000 0.476 565 A N 2.313 125.262 122.820 0.216 0.000 1.858 565 A HA 0.111 4.432 4.320 0.001 0.000 0.216 565 A C 2.346 180.168 177.584 0.398 0.000 1.190 565 A CA 1.502 53.711 52.037 0.286 0.000 0.617 565 A CB -0.969 18.120 19.000 0.149 0.000 0.827 565 A HN 0.515 nan 8.150 nan 0.000 0.443 566 L N -0.788 120.630 121.223 0.325 0.000 2.129 566 L HA -0.257 4.083 4.340 0.001 0.000 0.212 566 L C 3.058 180.156 176.870 0.381 0.000 1.087 566 L CA 1.101 56.160 54.840 0.365 0.000 0.757 566 L CB -0.524 41.602 42.059 0.112 0.000 0.896 566 L HN 0.493 nan 8.230 nan 0.000 0.434 567 A N -0.149 122.820 122.820 0.249 0.000 1.872 567 A HA -0.217 4.104 4.320 0.001 0.000 0.214 567 A C 2.393 180.073 177.584 0.159 0.000 1.187 567 A CA 1.702 53.838 52.037 0.165 0.000 0.614 567 A CB -0.372 18.668 19.000 0.066 0.000 0.826 567 A HN 0.289 nan 8.150 nan 0.000 0.442 568 K N -0.973 119.479 120.400 0.087 0.000 1.973 568 K HA -0.121 4.200 4.320 0.001 0.000 0.212 568 K C 0.752 177.244 176.600 -0.181 0.000 1.047 568 K CA 1.723 57.913 56.287 -0.162 0.000 0.937 568 K CB -0.320 31.910 32.500 -0.448 0.000 0.721 568 K HN 0.401 nan 8.250 nan 0.000 0.440 569 F N 1.013 121.110 119.950 0.245 0.000 2.696 569 F HA 0.048 4.575 4.527 0.000 0.000 0.296 569 F C 1.809 177.830 175.800 0.368 0.000 1.181 569 F CA 0.040 58.197 58.000 0.262 0.000 1.411 569 F CB -0.473 38.727 39.000 0.335 0.000 1.014 569 F HN 0.304 nan 8.300 nan 0.000 0.512 570 H N 1.336 120.639 119.070 0.389 0.000 2.353 570 H HA -0.214 4.342 4.556 0.001 0.000 0.298 570 H C 1.995 177.526 175.328 0.338 0.000 1.103 570 H CA 2.231 58.515 56.048 0.393 0.000 1.293 570 H CB 0.008 29.892 29.762 0.203 0.000 1.372 570 H HN 0.492 nan 8.280 nan 0.000 0.501 571 E N 0.149 120.480 120.200 0.218 0.000 2.153 571 E HA -0.109 4.242 4.350 0.001 0.000 0.194 571 E C 2.397 179.098 176.600 0.169 0.000 0.988 571 E CA 1.147 57.640 56.400 0.155 0.000 0.811 571 E CB 0.249 30.091 29.700 0.237 0.000 0.746 571 E HN 0.369 nan 8.360 nan 0.000 0.466 572 V N 0.293 120.254 119.914 0.077 0.000 2.379 572 V HA -0.206 3.915 4.120 0.001 0.000 0.245 572 V C 1.969 178.021 176.094 -0.070 0.000 1.044 572 V CA 1.579 63.784 62.300 -0.158 0.000 1.036 572 V CB -0.672 30.741 31.823 -0.684 0.000 0.664 572 V HN 0.271 nan 8.190 nan 0.000 0.453 573 F N 0.210 120.231 119.950 0.119 0.000 2.051 573 F HA -0.156 4.371 4.527 0.001 0.000 0.296 573 F C 2.612 178.431 175.800 0.032 0.000 1.122 573 F CA 1.521 59.619 58.000 0.164 0.000 1.201 573 F CB -0.232 38.884 39.000 0.194 0.000 0.978 573 F HN -0.063 nan 8.300 nan 0.000 0.472 574 K N -0.269 120.200 120.400 0.114 0.000 2.281 574 K HA -0.160 4.160 4.320 0.001 0.000 0.203 574 K C 2.072 178.707 176.600 0.058 0.000 1.046 574 K CA 1.419 57.708 56.287 0.003 0.000 0.938 574 K CB -0.632 31.761 32.500 -0.179 0.000 0.737 574 K HN 0.254 nan 8.250 nan 0.000 0.458 575 T N 0.460 115.069 114.554 0.092 0.000 2.939 575 T HA 0.047 4.398 4.350 0.001 0.000 0.254 575 T C 2.026 176.773 174.700 0.077 0.000 1.041 575 T CA 0.360 62.507 62.100 0.079 0.000 1.142 575 T CB 0.092 69.031 68.868 0.118 0.000 0.874 575 T HN 0.039 nan 8.240 nan 0.000 0.452 576 L N 1.092 122.373 121.223 0.097 0.000 1.994 576 L HA 0.155 4.495 4.340 0.001 0.000 0.208 576 L C 1.759 178.726 176.870 0.161 0.000 1.071 576 L CA 1.197 56.100 54.840 0.106 0.000 0.745 576 L CB -0.369 41.751 42.059 0.102 0.000 0.892 576 L HN 0.228 nan 8.230 nan 0.000 0.431 577 A N -0.399 122.533 122.820 0.186 0.000 3.016 577 A HA 0.135 4.456 4.320 0.001 0.000 0.303 577 A C 0.984 178.633 177.584 0.108 0.000 1.507 577 A CA -0.202 51.938 52.037 0.172 0.000 1.196 577 A CB -0.218 18.891 19.000 0.182 0.000 1.169 577 A HN 0.362 nan 8.150 nan 0.000 0.544 578 E N 0.964 121.220 120.200 0.094 0.000 2.498 578 E HA 0.074 4.425 4.350 0.001 0.000 0.203 578 E C 0.219 176.843 176.600 0.039 0.000 1.013 578 E CA 0.425 56.859 56.400 0.057 0.000 0.927 578 E CB 0.355 30.084 29.700 0.048 0.000 1.012 578 E HN 0.726 nan 8.360 nan 0.000 0.482 579 S N -0.821 114.904 115.700 0.042 0.000 2.607 579 S HA 0.281 4.751 4.470 0.001 0.000 0.303 579 S C 0.426 175.007 174.600 -0.031 0.000 1.086 579 S CA -0.905 57.290 58.200 -0.008 0.000 0.995 579 S CB 1.636 64.812 63.200 -0.040 0.000 1.084 579 S HN -0.059 nan 8.310 nan 0.000 0.507 580 D N 0.858 121.223 120.400 -0.059 0.000 2.178 580 D HA -0.076 4.564 4.640 0.001 0.000 0.202 580 D C 1.474 177.723 176.300 -0.086 0.000 0.974 580 D CA 1.156 55.123 54.000 -0.055 0.000 0.841 580 D CB 0.102 40.871 40.800 -0.052 0.000 0.953 580 D HN 0.721 nan 8.370 nan 0.000 0.478 581 E N 0.133 120.214 120.200 -0.197 0.000 2.106 581 E HA -0.088 4.263 4.350 0.001 0.000 0.192 581 E C 2.139 178.616 176.600 -0.205 0.000 0.984 581 E CA 0.853 57.056 56.400 -0.328 0.000 0.806 581 E CB -0.090 29.149 29.700 -0.767 0.000 0.750 581 E HN 0.212 nan 8.360 nan 0.000 0.458 582 G N 1.374 110.116 108.800 -0.096 0.000 2.394 582 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 582 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 582 G C 1.468 176.484 174.900 0.194 0.000 1.165 582 G CA 0.324 45.566 45.100 0.236 0.000 0.784 582 G HN 0.072 nan 8.290 nan 0.000 0.535 583 K N -0.642 119.810 120.400 0.087 0.000 2.209 583 K HA 0.023 4.343 4.320 0.001 0.000 0.204 583 K C 2.260 178.871 176.600 0.018 0.000 1.048 583 K CA 0.539 56.853 56.287 0.046 0.000 0.940 583 K CB -0.144 32.360 32.500 0.006 0.000 0.729 583 K HN 0.239 nan 8.250 nan 0.000 0.451 584 L N 0.039 121.289 121.223 0.045 0.000 2.068 584 L HA -0.112 4.229 4.340 0.001 0.000 0.204 584 L C 2.128 179.043 176.870 0.076 0.000 1.076 584 L CA 1.836 56.703 54.840 0.045 0.000 0.753 584 L CB -0.550 41.555 42.059 0.077 0.000 0.910 584 L HN 0.174 nan 8.230 nan 0.000 0.439 585 H N -1.294 117.825 119.070 0.083 0.000 2.290 585 H HA -0.171 4.386 4.556 0.001 0.000 0.298 585 H C 2.203 177.586 175.328 0.092 0.000 1.087 585 H CA 2.321 58.453 56.048 0.140 0.000 1.291 585 H CB -0.359 29.562 29.762 0.265 0.000 1.369 585 H HN 0.129 nan 8.280 nan 0.000 0.492 586 V N 0.614 120.623 119.914 0.159 0.000 2.233 586 V HA -0.365 3.756 4.120 0.001 0.000 0.252 586 V C 2.701 178.748 176.094 -0.079 0.000 1.063 586 V CA 2.324 64.677 62.300 0.088 0.000 1.032 586 V CB -0.851 31.027 31.823 0.091 0.000 0.645 586 V HN 0.406 nan 8.190 nan 0.000 0.446 587 L N -0.714 120.373 121.223 -0.226 0.000 2.127 587 L HA -0.224 4.117 4.340 0.001 0.000 0.211 587 L C 2.655 179.315 176.870 -0.350 0.000 1.089 587 L CA 2.030 56.559 54.840 -0.519 0.000 0.757 587 L CB -0.638 40.817 42.059 -1.007 0.000 0.899 587 L HN 0.309 nan 8.230 nan 0.000 0.434 588 R N 0.152 120.550 120.500 -0.170 0.000 2.070 588 R HA -0.140 4.201 4.340 0.001 0.000 0.233 588 R C 2.200 178.525 176.300 0.042 0.000 1.137 588 R CA 1.799 57.915 56.100 0.028 0.000 0.945 588 R CB -0.357 29.904 30.300 -0.065 0.000 0.845 588 R HN 0.104 nan 8.270 nan 0.000 0.430 589 V N 1.551 121.394 119.914 -0.117 0.000 2.261 589 V HA -0.321 3.800 4.120 0.001 0.000 0.246 589 V C 2.574 178.666 176.094 -0.004 0.000 1.047 589 V CA 2.145 64.399 62.300 -0.078 0.000 1.015 589 V CB -0.726 31.048 31.823 -0.082 0.000 0.642 589 V HN 0.498 nan 8.190 nan 0.000 0.446 590 M N -0.156 119.454 119.600 0.015 0.000 2.103 590 M HA -0.286 4.194 4.480 0.001 0.000 0.255 590 M C 2.229 178.635 176.300 0.177 0.000 1.074 590 M CA 2.513 57.858 55.300 0.075 0.000 1.090 590 M CB -0.709 31.898 32.600 0.011 0.000 1.325 590 M HN 0.445 nan 8.290 nan 0.000 0.403 591 F N 1.813 121.800 119.950 0.061 0.000 2.102 591 F HA -0.195 4.333 4.527 0.001 0.000 0.298 591 F C 2.062 177.933 175.800 0.119 0.000 1.105 591 F CA 1.867 59.978 58.000 0.185 0.000 1.239 591 F CB -0.664 38.547 39.000 0.352 0.000 0.991 591 F HN 0.243 nan 8.300 nan 0.000 0.474 592 E N 0.309 120.456 120.200 -0.087 0.000 2.267 592 E HA -0.151 4.200 4.350 0.001 0.000 0.197 592 E C 2.428 178.880 176.600 -0.248 0.000 0.998 592 E CA 1.415 57.673 56.400 -0.236 0.000 0.830 592 E CB -0.564 29.077 29.700 -0.099 0.000 0.751 592 E HN 0.427 nan 8.360 nan 0.000 0.491 593 V N -1.445 118.344 119.914 -0.209 0.000 2.426 593 V HA -0.092 4.029 4.120 0.001 0.000 0.242 593 V C 1.408 177.239 176.094 -0.439 0.000 1.036 593 V CA 1.095 63.176 62.300 -0.365 0.000 1.044 593 V CB -0.379 31.170 31.823 -0.456 0.000 0.688 593 V HN 0.268 nan 8.190 nan 0.000 0.462 594 W N 1.105 122.355 121.300 -0.083 0.000 3.223 594 W HA 0.250 4.910 4.660 0.000 0.000 0.389 594 W C 2.044 178.519 176.519 -0.073 0.000 1.118 594 W CA -0.626 56.690 57.345 -0.049 0.000 1.902 594 W CB 0.042 29.480 29.460 -0.037 0.000 1.094 594 W HN 0.158 nan 8.180 nan 0.000 0.666 595 R N 0.252 120.721 120.500 -0.052 0.000 2.397 595 R HA -0.087 4.253 4.340 0.001 0.000 0.213 595 R C 0.524 176.806 176.300 -0.030 0.000 1.102 595 R CA 1.030 57.022 56.100 -0.180 0.000 1.040 595 R CB -0.469 29.448 30.300 -0.639 0.000 0.844 595 R HN 0.183 nan 8.270 nan 0.000 0.478 596 N N 0.028 118.769 118.700 0.068 0.000 2.234 596 N HA -0.006 4.735 4.740 0.001 0.000 0.227 596 N C -0.951 174.676 175.510 0.194 0.000 1.151 596 N CA 0.033 53.134 53.050 0.085 0.000 0.865 596 N CB 0.666 39.181 38.487 0.046 0.000 1.066 596 N HN 0.216 nan 8.380 nan 0.000 0.515 597 H N -0.003 119.129 119.070 0.104 0.000 2.750 597 H HA 0.290 4.847 4.556 0.001 0.000 0.261 597 H C -2.237 173.057 175.328 -0.057 0.000 1.387 597 H CA -1.680 54.412 56.048 0.074 0.000 1.557 597 H CB 1.254 31.145 29.762 0.215 0.000 1.756 597 H HN -0.123 nan 8.280 nan 0.000 0.580 598 P HA -0.189 nan 4.420 nan 0.000 0.211 598 P C 1.719 178.925 177.300 -0.156 0.000 1.179 598 P CA 1.589 64.503 63.100 -0.311 0.000 0.910 598 P CB 0.356 31.765 31.700 -0.485 0.000 0.785 599 Q N -1.138 118.636 119.800 -0.043 0.000 2.242 599 Q HA -0.286 4.054 4.340 0.001 0.000 0.211 599 Q C 2.001 177.847 176.000 -0.257 0.000 0.992 599 Q CA 2.118 57.907 55.803 -0.023 0.000 0.889 599 Q CB -0.528 28.304 28.738 0.157 0.000 0.913 599 Q HN 0.045 nan 8.270 nan 0.000 0.422 600 M N 0.225 119.445 119.600 -0.634 0.000 2.098 600 M HA -0.046 4.435 4.480 0.001 0.000 0.262 600 M C 1.716 177.647 176.300 -0.614 0.000 1.072 600 M CA 1.504 56.230 55.300 -0.958 0.000 1.133 600 M CB -0.282 31.411 32.600 -1.512 0.000 1.344 600 M HN 0.358 nan 8.290 nan 0.000 0.414 601 I N 0.172 120.542 120.570 -0.332 0.000 2.194 601 I HA -0.298 3.873 4.170 0.001 0.000 0.246 601 I C 2.448 178.539 176.117 -0.043 0.000 1.093 601 I CA 1.285 62.539 61.300 -0.076 0.000 1.355 601 I CB -1.228 36.859 38.000 0.145 0.000 1.046 601 I HN 0.396 nan 8.210 nan 0.000 0.413 602 A N 1.333 124.135 122.820 -0.031 0.000 1.835 602 A HA -0.188 4.133 4.320 0.001 0.000 0.215 602 A C 2.484 180.022 177.584 -0.076 0.000 1.199 602 A CA 2.513 54.560 52.037 0.016 0.000 0.615 602 A CB -1.319 17.717 19.000 0.059 0.000 0.838 602 A HN 0.353 nan 8.150 nan 0.000 0.444 603 V N -1.442 118.358 119.914 -0.190 0.000 2.453 603 V HA -0.278 3.843 4.120 0.001 0.000 0.252 603 V C 2.264 178.324 176.094 -0.056 0.000 1.068 603 V CA 2.269 64.467 62.300 -0.170 0.000 1.070 603 V CB -1.101 30.424 31.823 -0.497 0.000 0.664 603 V HN 0.446 nan 8.190 nan 0.000 0.461 604 L N -0.183 120.940 121.223 -0.165 0.000 2.023 604 L HA -0.040 4.301 4.340 0.001 0.000 0.205 604 L C 2.701 179.506 176.870 -0.108 0.000 1.073 604 L CA 1.452 56.234 54.840 -0.096 0.000 0.745 604 L CB -0.658 41.286 42.059 -0.192 0.000 0.900 604 L HN 0.232 nan 8.230 nan 0.000 0.435 605 V N -0.057 119.785 119.914 -0.120 0.000 2.324 605 V HA -0.360 3.761 4.120 0.001 0.000 0.250 605 V C 2.267 178.301 176.094 -0.099 0.000 1.060 605 V CA 2.118 64.343 62.300 -0.124 0.000 1.042 605 V CB -0.704 31.080 31.823 -0.065 0.000 0.650 605 V HN 0.588 nan 8.190 nan 0.000 0.450 606 D N 0.654 121.008 120.400 -0.077 0.000 2.106 606 D HA -0.280 4.360 4.640 0.001 0.000 0.194 606 D C 2.163 178.379 176.300 -0.140 0.000 0.988 606 D CA 2.095 56.043 54.000 -0.086 0.000 0.845 606 D CB 0.011 40.770 40.800 -0.069 0.000 0.990 606 D HN 0.313 nan 8.370 nan 0.000 0.448 607 K N 0.072 120.351 120.400 -0.202 0.000 2.218 607 K HA -0.095 4.226 4.320 0.001 0.000 0.205 607 K C 2.320 178.799 176.600 -0.203 0.000 1.046 607 K CA 0.869 56.974 56.287 -0.304 0.000 0.933 607 K CB -0.302 31.848 32.500 -0.583 0.000 0.728 607 K HN 0.244 nan 8.250 nan 0.000 0.454 608 M N -0.566 118.934 119.600 -0.166 0.000 2.175 608 M HA -0.087 4.394 4.480 0.001 0.000 0.264 608 M C 1.732 177.953 176.300 -0.132 0.000 1.063 608 M CA 1.434 56.633 55.300 -0.168 0.000 1.119 608 M CB -0.055 32.425 32.600 -0.200 0.000 1.377 608 M HN 0.156 nan 8.290 nan 0.000 0.415 609 I N -0.944 119.552 120.570 -0.123 0.000 2.480 609 I HA -0.207 3.964 4.170 0.001 0.000 0.251 609 I C 2.181 178.234 176.117 -0.106 0.000 1.124 609 I CA 0.763 61.999 61.300 -0.106 0.000 1.444 609 I CB -0.348 37.591 38.000 -0.101 0.000 1.098 609 I HN 0.225 nan 8.210 nan 0.000 0.428 610 R N 0.507 120.936 120.500 -0.119 0.000 2.159 610 R HA -0.127 4.214 4.340 0.001 0.000 0.237 610 R C 1.693 177.933 176.300 -0.099 0.000 1.131 610 R CA 1.852 57.881 56.100 -0.119 0.000 0.982 610 R CB -0.440 29.776 30.300 -0.140 0.000 0.868 610 R HN 0.460 nan 8.270 nan 0.000 0.453 611 T N -2.809 111.696 114.554 -0.081 0.000 3.134 611 T HA 0.110 4.461 4.350 0.001 0.000 0.260 611 T C 0.277 175.012 174.700 0.058 0.000 1.027 611 T CA -0.437 61.646 62.100 -0.028 0.000 0.913 611 T CB 0.414 69.275 68.868 -0.013 0.000 1.046 611 T HN 0.128 nan 8.240 nan 0.000 0.553 612 Q N 0.066 119.865 119.800 -0.002 0.000 2.457 612 Q HA -0.164 4.176 4.340 0.001 0.000 0.283 612 Q C 0.660 176.672 176.000 0.021 0.000 1.234 612 Q CA 0.579 56.386 55.803 0.007 0.000 0.877 612 Q CB -1.907 26.849 28.738 0.029 0.000 1.250 612 Q HN 0.683 nan 8.270 nan 0.000 0.481 613 I N -0.501 120.061 120.570 -0.014 0.000 3.226 613 I HA -0.037 4.133 4.170 0.001 0.000 0.277 613 I C 0.922 177.000 176.117 -0.064 0.000 1.243 613 I CA 0.655 61.924 61.300 -0.052 0.000 1.459 613 I CB 0.633 38.538 38.000 -0.159 0.000 1.093 613 I HN 0.162 nan 8.210 nan 0.000 0.453 614 V N -1.826 118.044 119.914 -0.073 0.000 3.000 614 V HA 0.447 4.567 4.120 0.001 0.000 0.300 614 V C -1.644 174.408 176.094 -0.071 0.000 1.251 614 V CA -1.184 61.072 62.300 -0.074 0.000 0.972 614 V CB 1.775 33.528 31.823 -0.117 0.000 1.065 614 V HN 0.127 nan 8.190 nan 0.000 0.431 615 D N 1.509 121.874 120.400 -0.058 0.000 2.440 615 D HA 0.506 5.147 4.640 0.001 0.000 0.258 615 D C 1.183 177.446 176.300 -0.062 0.000 1.092 615 D CA 0.060 54.023 54.000 -0.060 0.000 1.016 615 D CB 1.337 42.109 40.800 -0.047 0.000 1.141 615 D HN 0.631 nan 8.370 nan 0.000 0.552 616 C N 0.144 119.402 119.300 -0.069 0.000 2.413 616 C HA -0.024 4.437 4.460 0.001 0.000 0.277 616 C C 2.934 177.883 174.990 -0.069 0.000 1.228 616 C CA 1.215 60.187 59.018 -0.077 0.000 1.731 616 C CB -1.732 25.950 27.740 -0.097 0.000 2.042 616 C HN 0.796 nan 8.230 nan 0.000 0.468 617 A N 1.416 124.196 122.820 -0.067 0.000 1.884 617 A HA -0.112 4.209 4.320 0.001 0.000 0.219 617 A C 2.441 180.007 177.584 -0.030 0.000 1.197 617 A CA 3.171 55.171 52.037 -0.061 0.000 0.637 617 A CB -1.306 17.663 19.000 -0.051 0.000 0.827 617 A HN 0.752 nan 8.150 nan 0.000 0.450 618 A N -0.736 122.072 122.820 -0.019 0.000 1.859 618 A HA -0.100 4.221 4.320 0.001 0.000 0.217 618 A C 2.182 179.805 177.584 0.064 0.000 1.198 618 A CA 2.140 54.181 52.037 0.007 0.000 0.629 618 A CB -1.287 17.702 19.000 -0.019 0.000 0.830 618 A HN 0.651 nan 8.150 nan 0.000 0.446 619 V N -0.091 119.853 119.914 0.051 0.000 2.660 619 V HA -0.292 3.829 4.120 0.001 0.000 0.257 619 V C 2.860 179.063 176.094 0.181 0.000 1.088 619 V CA 1.928 64.330 62.300 0.170 0.000 1.106 619 V CB -1.411 30.470 31.823 0.096 0.000 0.686 619 V HN 0.669 nan 8.190 nan 0.000 0.481 620 A N 0.305 123.164 122.820 0.065 0.000 1.840 620 A HA -0.157 4.163 4.320 0.001 0.000 0.214 620 A C 2.093 179.744 177.584 0.112 0.000 1.198 620 A CA 1.573 53.630 52.037 0.033 0.000 0.608 620 A CB -0.618 18.336 19.000 -0.077 0.000 0.839 620 A HN 0.536 nan 8.150 nan 0.000 0.443 621 N N -1.484 117.265 118.700 0.081 0.000 2.364 621 N HA -0.176 4.565 4.740 0.001 0.000 0.183 621 N C 1.389 177.002 175.510 0.172 0.000 1.022 621 N CA 1.413 54.524 53.050 0.102 0.000 0.883 621 N CB -0.324 38.198 38.487 0.059 0.000 0.965 621 N HN 0.803 nan 8.380 nan 0.000 0.438 622 W N 1.748 123.031 121.300 -0.028 0.000 2.453 622 W HA 0.115 4.776 4.660 0.002 0.000 0.289 622 W C 1.696 178.128 176.519 -0.144 0.000 1.215 622 W CA 0.389 57.689 57.345 -0.075 0.000 1.297 622 W CB -0.222 29.181 29.460 -0.095 0.000 1.113 622 W HN -0.150 nan 8.180 nan 0.000 0.551 623 I N 0.286 120.642 120.570 -0.356 0.000 2.493 623 I HA -0.199 3.972 4.170 0.001 0.000 0.254 623 I C 1.098 176.781 176.117 -0.723 0.000 1.160 623 I CA 1.346 62.143 61.300 -0.838 0.000 1.445 623 I CB -1.553 36.017 38.000 -0.717 0.000 1.086 623 I HN -0.087 nan 8.210 nan 0.000 0.433 624 F N 1.195 120.980 119.950 -0.276 0.000 2.660 624 F HA 0.116 4.643 4.527 0.001 0.000 0.297 624 F C 1.434 177.191 175.800 -0.072 0.000 1.132 624 F CA -0.484 57.474 58.000 -0.071 0.000 1.372 624 F CB -0.298 38.645 39.000 -0.095 0.000 1.003 624 F HN -0.080 nan 8.300 nan 0.000 0.524 625 S N -1.148 114.519 115.700 -0.055 0.000 2.616 625 S HA 0.218 4.689 4.470 0.001 0.000 0.277 625 S C 1.342 175.901 174.600 -0.068 0.000 1.234 625 S CA -0.110 58.073 58.200 -0.027 0.000 1.028 625 S CB 1.544 64.758 63.200 0.023 0.000 0.988 625 S HN 0.222 nan 8.310 nan 0.000 0.522 626 S N 0.940 116.630 115.700 -0.016 0.000 2.469 626 S HA -0.133 4.338 4.470 0.001 0.000 0.238 626 S C 1.132 175.742 174.600 0.017 0.000 0.998 626 S CA 1.067 59.259 58.200 -0.014 0.000 0.957 626 S CB -0.647 62.560 63.200 0.011 0.000 0.764 626 S HN 0.800 nan 8.310 nan 0.000 0.514 627 E N 1.521 121.744 120.200 0.039 0.000 2.208 627 E HA 0.130 4.480 4.350 0.001 0.000 0.193 627 E C 1.412 178.049 176.600 0.061 0.000 0.988 627 E CA 0.726 57.203 56.400 0.130 0.000 0.828 627 E CB -0.289 29.546 29.700 0.226 0.000 0.763 627 E HN 0.607 nan 8.360 nan 0.000 0.478 628 L N -0.016 121.097 121.223 -0.184 0.000 2.653 628 L HA 0.241 4.581 4.340 0.001 0.000 0.231 628 L C 1.402 178.245 176.870 -0.046 0.000 1.153 628 L CA -0.091 54.577 54.840 -0.288 0.000 0.933 628 L CB 0.196 41.841 42.059 -0.690 0.000 1.175 628 L HN -0.006 nan 8.230 nan 0.000 0.473 629 S N 0.640 116.342 115.700 0.004 0.000 2.399 629 S HA -0.097 4.374 4.470 0.001 0.000 0.231 629 S C 1.997 176.676 174.600 0.130 0.000 1.022 629 S CA 1.234 59.449 58.200 0.025 0.000 0.983 629 S CB -0.106 63.059 63.200 -0.059 0.000 0.803 629 S HN 0.481 nan 8.310 nan 0.000 0.480 630 R N 1.025 121.605 120.500 0.134 0.000 2.276 630 R HA 0.099 4.440 4.340 0.001 0.000 0.203 630 R C 0.688 177.112 176.300 0.206 0.000 1.017 630 R CA 0.909 57.106 56.100 0.161 0.000 1.010 630 R CB 0.018 30.407 30.300 0.150 0.000 0.900 630 R HN 0.409 nan 8.270 nan 0.000 0.469 631 D N -0.977 119.545 120.400 0.204 0.000 2.500 631 D HA -0.010 4.631 4.640 0.001 0.000 0.218 631 D C 0.834 177.161 176.300 0.044 0.000 1.140 631 D CA -0.097 54.015 54.000 0.186 0.000 0.830 631 D CB 0.150 41.127 40.800 0.296 0.000 1.055 631 D HN 0.045 nan 8.370 nan 0.000 0.512 632 F N 2.819 122.707 119.950 -0.103 0.000 2.257 632 F HA -0.252 4.276 4.527 0.001 0.000 0.302 632 F C 2.244 178.062 175.800 0.030 0.000 1.056 632 F CA 1.797 59.688 58.000 -0.181 0.000 1.353 632 F CB -0.069 38.945 39.000 0.023 0.000 1.064 632 F HN -0.034 nan 8.300 nan 0.000 0.520 633 T N -3.227 111.474 114.554 0.244 0.000 3.040 633 T HA 0.222 4.573 4.350 0.001 0.000 0.250 633 T C 0.821 175.624 174.700 0.170 0.000 1.058 633 T CA -0.425 61.816 62.100 0.235 0.000 0.988 633 T CB -0.154 68.842 68.868 0.213 0.000 0.993 633 T HN 0.013 nan 8.240 nan 0.000 0.519 634 R N 1.129 121.672 120.500 0.071 0.000 2.438 634 R HA 0.411 4.751 4.340 0.001 0.000 0.287 634 R C 1.375 177.649 176.300 -0.044 0.000 1.077 634 R CA -0.475 55.664 56.100 0.065 0.000 1.034 634 R CB 0.658 31.071 30.300 0.188 0.000 0.993 634 R HN 0.077 nan 8.270 nan 0.000 0.459 635 L N 2.857 124.144 121.223 0.106 0.000 1.997 635 L HA -0.347 3.994 4.340 0.001 0.000 0.227 635 L C 2.407 179.290 176.870 0.021 0.000 1.087 635 L CA 2.163 57.084 54.840 0.135 0.000 0.797 635 L CB -0.828 41.334 42.059 0.172 0.000 0.902 635 L HN 0.761 nan 8.230 nan 0.000 0.441 636 F N -0.092 119.905 119.950 0.077 0.000 2.111 636 F HA -0.239 4.289 4.527 0.002 0.000 0.300 636 F C 2.243 178.011 175.800 -0.054 0.000 1.088 636 F CA 1.516 59.540 58.000 0.040 0.000 1.243 636 F CB -1.673 37.356 39.000 0.050 0.000 0.996 636 F HN -0.165 nan 8.300 nan 0.000 0.483 637 V N 0.689 119.676 119.914 -1.545 0.000 2.218 637 V HA -0.383 3.738 4.120 0.001 0.000 0.251 637 V C 2.275 177.839 176.094 -0.884 0.000 1.057 637 V CA 2.568 64.027 62.300 -1.402 0.000 1.022 637 V CB -1.298 29.522 31.823 -1.671 0.000 0.645 637 V HN 0.605 nan 8.190 nan 0.000 0.451 638 W N -0.056 120.959 121.300 -0.474 0.000 2.374 638 W HA -0.109 4.552 4.660 0.002 0.000 0.288 638 W C 2.459 178.911 176.519 -0.112 0.000 1.218 638 W CA 1.295 58.445 57.345 -0.324 0.000 1.245 638 W CB -0.407 28.931 29.460 -0.202 0.000 1.126 638 W HN 0.316 nan 8.180 nan 0.000 0.545 639 E N 0.979 121.268 120.200 0.149 0.000 2.070 639 E HA -0.250 4.101 4.350 0.001 0.000 0.197 639 E C 1.908 178.589 176.600 0.136 0.000 1.004 639 E CA 1.962 58.482 56.400 0.201 0.000 0.805 639 E CB -0.374 29.430 29.700 0.172 0.000 0.744 639 E HN 0.287 nan 8.360 nan 0.000 0.451 640 I N 0.564 121.160 120.570 0.044 0.000 2.090 640 I HA -0.283 3.887 4.170 0.001 0.000 0.236 640 I C 2.596 178.705 176.117 -0.012 0.000 1.064 640 I CA 0.607 61.934 61.300 0.045 0.000 1.324 640 I CB -0.411 37.640 38.000 0.085 0.000 1.044 640 I HN 0.254 nan 8.210 nan 0.000 0.399 641 L N 0.699 121.834 121.223 -0.146 0.000 2.085 641 L HA -0.323 4.018 4.340 0.001 0.000 0.218 641 L C 2.576 179.352 176.870 -0.157 0.000 1.080 641 L CA 2.116 56.834 54.840 -0.203 0.000 0.776 641 L CB -1.138 40.718 42.059 -0.339 0.000 0.891 641 L HN 0.321 nan 8.230 nan 0.000 0.437 642 H N -1.825 117.296 119.070 0.085 0.000 2.363 642 H HA -0.024 4.533 4.556 0.001 0.000 0.301 642 H C 2.467 177.849 175.328 0.091 0.000 1.074 642 H CA 1.275 57.406 56.048 0.138 0.000 1.354 642 H CB -0.325 29.541 29.762 0.174 0.000 1.397 642 H HN 0.425 nan 8.280 nan 0.000 0.516 643 S N 0.106 115.910 115.700 0.174 0.000 2.359 643 S HA -0.171 4.300 4.470 0.001 0.000 0.223 643 S C 2.187 176.817 174.600 0.050 0.000 1.039 643 S CA 2.093 60.356 58.200 0.105 0.000 1.042 643 S CB -0.354 62.893 63.200 0.078 0.000 0.915 643 S HN 0.479 nan 8.310 nan 0.000 0.439 644 T N 2.374 116.937 114.554 0.015 0.000 2.737 644 T HA -0.079 4.272 4.350 0.001 0.000 0.269 644 T C 1.693 176.354 174.700 -0.065 0.000 1.040 644 T CA 1.685 63.765 62.100 -0.034 0.000 1.142 644 T CB -0.391 68.446 68.868 -0.052 0.000 0.861 644 T HN 0.431 nan 8.240 nan 0.000 0.456 645 I N 0.108 120.635 120.570 -0.071 0.000 2.233 645 I HA -0.089 4.082 4.170 0.001 0.000 0.243 645 I C 2.893 178.957 176.117 -0.089 0.000 1.093 645 I CA 1.017 62.220 61.300 -0.162 0.000 1.380 645 I CB -0.347 37.507 38.000 -0.243 0.000 1.067 645 I HN 0.087 nan 8.210 nan 0.000 0.413 646 R N 1.283 121.799 120.500 0.027 0.000 2.080 646 R HA -0.194 4.147 4.340 0.001 0.000 0.236 646 R C 2.295 178.622 176.300 0.046 0.000 1.137 646 R CA 1.586 57.730 56.100 0.073 0.000 0.943 646 R CB -0.324 30.049 30.300 0.122 0.000 0.846 646 R HN 0.332 nan 8.270 nan 0.000 0.431 647 K N -0.038 120.378 120.400 0.027 0.000 2.218 647 K HA -0.197 4.124 4.320 0.001 0.000 0.205 647 K C 1.986 178.601 176.600 0.025 0.000 1.046 647 K CA 1.523 57.819 56.287 0.014 0.000 0.933 647 K CB -0.112 32.376 32.500 -0.021 0.000 0.728 647 K HN 0.078 nan 8.250 nan 0.000 0.454 648 M N 1.018 120.625 119.600 0.011 0.000 2.160 648 M HA -0.080 4.400 4.480 0.001 0.000 0.264 648 M C 1.272 177.636 176.300 0.107 0.000 1.073 648 M CA 1.682 57.010 55.300 0.046 0.000 1.142 648 M CB -0.122 32.471 32.600 -0.013 0.000 1.358 648 M HN 0.070 nan 8.290 nan 0.000 0.422 649 N N -0.361 118.382 118.700 0.072 0.000 2.104 649 N HA -0.174 4.566 4.740 0.001 0.000 0.190 649 N C 1.535 177.101 175.510 0.093 0.000 1.024 649 N CA 1.059 54.165 53.050 0.093 0.000 0.853 649 N CB -0.065 38.470 38.487 0.081 0.000 1.008 649 N HN 0.288 nan 8.380 nan 0.000 0.424 650 K N 0.552 121.007 120.400 0.091 0.000 2.057 650 K HA -0.155 4.166 4.320 0.001 0.000 0.206 650 K C 1.877 178.543 176.600 0.109 0.000 1.050 650 K CA 0.911 57.249 56.287 0.085 0.000 0.935 650 K CB -0.650 31.894 32.500 0.073 0.000 0.715 650 K HN 0.473 nan 8.250 nan 0.000 0.439 651 H N 0.801 119.882 119.070 0.020 0.000 2.289 651 H HA -0.137 4.419 4.556 0.001 0.000 0.296 651 H C 1.999 177.342 175.328 0.025 0.000 1.091 651 H CA 1.917 57.975 56.048 0.017 0.000 1.274 651 H CB 0.202 29.971 29.762 0.012 0.000 1.364 651 H HN -0.122 nan 8.280 nan 0.000 0.490 652 V N 1.581 121.495 119.914 0.000 0.000 2.231 652 V HA -0.321 3.799 4.120 0.001 0.000 0.248 652 V C 3.046 179.105 176.094 -0.058 0.000 1.054 652 V CA 2.023 64.282 62.300 -0.068 0.000 1.015 652 V CB -0.866 30.975 31.823 0.030 0.000 0.638 652 V HN 0.379 nan 8.190 nan 0.000 0.444 653 L N -0.308 120.912 121.223 -0.006 0.000 2.051 653 L HA -0.289 4.052 4.340 0.001 0.000 0.214 653 L C 2.647 179.507 176.870 -0.017 0.000 1.076 653 L CA 2.203 57.041 54.840 -0.003 0.000 0.758 653 L CB -0.663 41.407 42.059 0.018 0.000 0.890 653 L HN 0.372 nan 8.230 nan 0.000 0.433 654 K N 0.852 121.240 120.400 -0.020 0.000 2.002 654 K HA -0.185 4.136 4.320 0.001 0.000 0.209 654 K C 2.037 178.610 176.600 -0.045 0.000 1.048 654 K CA 1.569 57.845 56.287 -0.019 0.000 0.930 654 K CB -0.146 32.357 32.500 0.005 0.000 0.714 654 K HN 0.244 nan 8.250 nan 0.000 0.438 655 I N 1.074 121.583 120.570 -0.100 0.000 2.700 655 I HA -0.263 3.908 4.170 0.001 0.000 0.261 655 I C 2.188 178.268 176.117 -0.062 0.000 1.219 655 I CA 1.096 62.334 61.300 -0.102 0.000 1.463 655 I CB -0.229 37.660 38.000 -0.185 0.000 1.092 655 I HN 0.353 nan 8.210 nan 0.000 0.452 656 Q N 1.025 120.795 119.800 -0.050 0.000 2.137 656 Q HA -0.170 4.171 4.340 0.001 0.000 0.198 656 Q C 2.241 178.229 176.000 -0.020 0.000 0.960 656 Q CA 1.195 56.981 55.803 -0.029 0.000 0.847 656 Q CB 0.039 28.765 28.738 -0.020 0.000 0.915 656 Q HN 0.574 nan 8.270 nan 0.000 0.448 657 K N 0.526 120.915 120.400 -0.018 0.000 2.186 657 K HA -0.050 4.271 4.320 0.001 0.000 0.202 657 K C 1.488 178.082 176.600 -0.011 0.000 1.052 657 K CA 1.048 57.328 56.287 -0.011 0.000 0.965 657 K CB 0.066 32.562 32.500 -0.006 0.000 0.746 657 K HN 0.037 nan 8.250 nan 0.000 0.457 658 E N 0.545 120.737 120.200 -0.014 0.000 2.204 658 E HA -0.130 4.221 4.350 0.001 0.000 0.194 658 E C 1.819 178.413 176.600 -0.011 0.000 0.989 658 E CA 0.795 57.188 56.400 -0.011 0.000 0.824 658 E CB 0.027 29.720 29.700 -0.013 0.000 0.756 658 E HN 0.277 nan 8.360 nan 0.000 0.477 659 L N 0.675 121.890 121.223 -0.014 0.000 2.249 659 L HA -0.050 4.290 4.340 0.001 0.000 0.207 659 L C 2.130 178.994 176.870 -0.009 0.000 1.090 659 L CA 1.256 56.089 54.840 -0.011 0.000 0.802 659 L CB 0.160 42.211 42.059 -0.014 0.000 0.947 659 L HN -0.092 nan 8.230 nan 0.000 0.453 660 E N -0.107 120.087 120.200 -0.009 0.000 2.208 660 E HA -0.201 4.149 4.350 0.001 0.000 0.193 660 E C 1.895 178.491 176.600 -0.007 0.000 0.988 660 E CA 1.388 57.784 56.400 -0.008 0.000 0.828 660 E CB 0.057 29.752 29.700 -0.008 0.000 0.763 660 E HN 0.601 nan 8.360 nan 0.000 0.478 661 E N -0.668 119.529 120.200 -0.006 0.000 2.190 661 E HA 0.071 4.422 4.350 0.001 0.000 0.191 661 E C 1.910 178.508 176.600 -0.004 0.000 0.978 661 E CA 0.511 56.909 56.400 -0.005 0.000 0.839 661 E CB 0.010 29.708 29.700 -0.004 0.000 0.787 661 E HN 0.342 nan 8.360 nan 0.000 0.473 662 A N 2.031 124.848 122.820 -0.004 0.000 1.845 662 A HA -0.245 4.076 4.320 0.001 0.000 0.215 662 A C 1.937 179.519 177.584 -0.003 0.000 1.195 662 A CA 1.613 53.648 52.037 -0.003 0.000 0.616 662 A CB -0.407 18.591 19.000 -0.004 0.000 0.832 662 A HN 0.029 nan 8.150 nan 0.000 0.443 663 K N -0.035 120.362 120.400 -0.004 0.000 2.127 663 K HA -0.161 4.160 4.320 0.001 0.000 0.208 663 K C 0.968 177.566 176.600 -0.004 0.000 1.047 663 K CA 1.367 57.652 56.287 -0.003 0.000 0.927 663 K CB -0.180 32.318 32.500 -0.004 0.000 0.716 663 K HN 0.383 nan 8.250 nan 0.000 0.450 664 E N 1.395 121.593 120.200 -0.004 0.000 2.428 664 E HA -0.010 4.341 4.350 0.001 0.000 0.199 664 E C -0.189 176.409 176.600 -0.003 0.000 1.172 664 E CA 0.772 57.169 56.400 -0.004 0.000 0.941 664 E CB -0.186 29.511 29.700 -0.004 0.000 1.001 664 E HN 0.304 nan 8.360 nan 0.000 0.501 689 E N 1.323 121.524 120.200 0.002 0.000 2.533 689 E HA -0.132 4.218 4.350 0.001 0.000 0.201 689 E C 0.934 177.535 176.600 0.002 0.000 1.097 689 E CA 0.682 57.083 56.400 0.001 0.000 0.887 689 E CB -0.026 29.674 29.700 0.001 0.000 0.855 689 E HN 0.679 nan 8.360 nan 0.000 0.540 690 E N 0.615 120.816 120.200 0.003 0.000 2.501 690 E HA -0.268 4.083 4.350 0.001 0.000 0.203 690 E C 1.763 178.366 176.600 0.004 0.000 1.072 690 E CA 0.561 56.963 56.400 0.004 0.000 0.885 690 E CB 0.047 29.750 29.700 0.004 0.000 0.813 690 E HN 0.080 nan 8.360 nan 0.000 0.556 691 Q N 1.350 121.152 119.800 0.003 0.000 2.083 691 Q HA -0.060 4.281 4.340 0.001 0.000 0.198 691 Q C 1.928 177.930 176.000 0.002 0.000 0.969 691 Q CA 1.604 57.408 55.803 0.003 0.000 0.838 691 Q CB -0.161 28.578 28.738 0.002 0.000 0.900 691 Q HN 0.543 nan 8.270 nan 0.000 0.436 692 I N 0.522 121.093 120.570 0.001 0.000 2.226 692 I HA -0.246 3.924 4.170 0.001 0.000 0.245 692 I C 2.445 178.563 176.117 0.002 0.000 1.100 692 I CA 1.572 62.872 61.300 0.000 0.000 1.374 692 I CB -0.469 37.531 38.000 -0.000 0.000 1.057 692 I HN 0.409 nan 8.210 nan 0.000 0.413 693 E N 1.459 121.660 120.200 0.003 0.000 2.058 693 E HA -0.289 4.061 4.350 0.001 0.000 0.194 693 E C 2.398 179.001 176.600 0.006 0.000 0.997 693 E CA 1.365 57.767 56.400 0.005 0.000 0.801 693 E CB -0.044 29.660 29.700 0.005 0.000 0.746 693 E HN 0.342 nan 8.360 nan 0.000 0.450 694 R N 0.288 120.792 120.500 0.006 0.000 2.081 694 R HA -0.133 4.208 4.340 0.001 0.000 0.235 694 R C 2.551 178.855 176.300 0.006 0.000 1.131 694 R CA 1.165 57.269 56.100 0.008 0.000 0.960 694 R CB -0.175 30.130 30.300 0.008 0.000 0.856 694 R HN 0.219 nan 8.270 nan 0.000 0.436 695 L N 0.348 121.572 121.223 0.002 0.000 2.044 695 L HA -0.157 4.184 4.340 0.001 0.000 0.205 695 L C 2.747 179.613 176.870 -0.006 0.000 1.075 695 L CA 1.247 56.084 54.840 -0.005 0.000 0.747 695 L CB -0.527 41.527 42.059 -0.008 0.000 0.903 695 L HN 0.251 nan 8.230 nan 0.000 0.435 696 Q N 0.868 120.667 119.800 -0.002 0.000 2.096 696 Q HA -0.315 4.026 4.340 0.001 0.000 0.208 696 Q C 1.964 177.966 176.000 0.004 0.000 0.993 696 Q CA 2.294 58.097 55.803 -0.000 0.000 0.862 696 Q CB -0.249 28.490 28.738 0.003 0.000 0.915 696 Q HN 0.466 nan 8.270 nan 0.000 0.416 697 E N -0.603 119.601 120.200 0.007 0.000 2.150 697 E HA -0.182 4.169 4.350 0.001 0.000 0.193 697 E C 1.782 178.390 176.600 0.013 0.000 0.985 697 E CA 0.912 57.319 56.400 0.011 0.000 0.814 697 E CB -0.016 29.692 29.700 0.013 0.000 0.752 697 E HN 0.322 nan 8.360 nan 0.000 0.466 698 K N -0.079 120.325 120.400 0.007 0.000 2.103 698 K HA -0.071 4.250 4.320 0.001 0.000 0.204 698 K C 2.033 178.625 176.600 -0.013 0.000 1.052 698 K CA 0.911 57.200 56.287 0.005 0.000 0.945 698 K CB 0.207 32.706 32.500 -0.002 0.000 0.722 698 K HN 0.028 nan 8.250 nan 0.000 0.443 699 V N 2.140 122.041 119.914 -0.022 0.000 2.255 699 V HA -0.264 3.857 4.120 0.001 0.000 0.247 699 V C 2.140 178.235 176.094 0.002 0.000 1.051 699 V CA 1.786 64.070 62.300 -0.027 0.000 1.018 699 V CB -0.502 31.311 31.823 -0.018 0.000 0.641 699 V HN 0.332 nan 8.190 nan 0.000 0.445 700 E N 0.666 120.874 120.200 0.014 0.000 2.065 700 E HA -0.237 4.114 4.350 0.001 0.000 0.201 700 E C 2.407 179.030 176.600 0.038 0.000 1.016 700 E CA 2.065 58.483 56.400 0.029 0.000 0.818 700 E CB -0.685 29.030 29.700 0.026 0.000 0.749 700 E HN 0.609 nan 8.360 nan 0.000 0.453 701 S N 0.641 116.363 115.700 0.036 0.000 2.406 701 S HA -0.000 4.471 4.470 0.001 0.000 0.228 701 S C 2.017 176.658 174.600 0.069 0.000 1.020 701 S CA 0.794 59.023 58.200 0.049 0.000 0.965 701 S CB -0.058 63.172 63.200 0.050 0.000 0.798 701 S HN 0.420 nan 8.310 nan 0.000 0.488 702 A N 1.329 124.181 122.820 0.053 0.000 1.969 702 A HA -0.106 4.215 4.320 0.001 0.000 0.218 702 A C 2.088 179.725 177.584 0.089 0.000 1.169 702 A CA 1.050 53.127 52.037 0.065 0.000 0.635 702 A CB -0.349 18.581 19.000 -0.116 0.000 0.810 702 A HN 0.525 nan 8.150 nan 0.000 0.445 703 Q N -1.277 118.568 119.800 0.075 0.000 2.089 703 Q HA -0.056 4.285 4.340 0.001 0.000 0.195 703 Q C 2.390 178.462 176.000 0.121 0.000 0.963 703 Q CA 1.077 56.949 55.803 0.114 0.000 0.834 703 Q CB -0.290 28.513 28.738 0.108 0.000 0.906 703 Q HN 0.591 nan 8.270 nan 0.000 0.452 704 S N 1.143 116.897 115.700 0.089 0.000 2.390 704 S HA -0.312 4.158 4.470 0.001 0.000 0.234 704 S C 1.906 176.537 174.600 0.052 0.000 1.063 704 S CA 1.953 60.193 58.200 0.067 0.000 1.108 704 S CB -0.213 63.017 63.200 0.050 0.000 0.975 704 S HN 0.417 nan 8.310 nan 0.000 0.442 705 E N -0.041 120.194 120.200 0.058 0.000 2.106 705 E HA -0.206 4.145 4.350 0.001 0.000 0.192 705 E C 2.288 178.912 176.600 0.041 0.000 0.984 705 E CA 1.154 57.577 56.400 0.038 0.000 0.806 705 E CB -0.274 29.454 29.700 0.048 0.000 0.750 705 E HN 0.752 nan 8.360 nan 0.000 0.458 706 Q N 0.803 120.663 119.800 0.100 0.000 2.084 706 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 706 Q C 2.113 178.230 176.000 0.194 0.000 0.978 706 Q CA 1.630 57.532 55.803 0.166 0.000 0.844 706 Q CB 0.022 28.908 28.738 0.247 0.000 0.898 706 Q HN 0.057 nan 8.270 nan 0.000 0.426 707 K N 0.263 120.714 120.400 0.085 0.000 1.984 707 K HA -0.205 4.116 4.320 0.001 0.000 0.209 707 K C 1.953 178.457 176.600 -0.160 0.000 1.046 707 K CA 1.596 57.754 56.287 -0.214 0.000 0.934 707 K CB -0.188 32.216 32.500 -0.159 0.000 0.717 707 K HN 0.158 nan 8.250 nan 0.000 0.438 708 N N 0.651 119.305 118.700 -0.076 0.000 2.060 708 N HA -0.238 4.503 4.740 0.001 0.000 0.195 708 N C 1.677 177.127 175.510 -0.100 0.000 1.028 708 N CA 1.546 54.553 53.050 -0.071 0.000 0.861 708 N CB -0.327 38.133 38.487 -0.045 0.000 1.029 708 N HN 0.193 nan 8.380 nan 0.000 0.428 709 L N -0.187 120.964 121.223 -0.119 0.000 1.963 709 L HA -0.150 4.190 4.340 0.001 0.000 0.220 709 L C 1.852 178.511 176.870 -0.352 0.000 1.076 709 L CA 1.876 56.569 54.840 -0.245 0.000 0.772 709 L CB -1.348 40.510 42.059 -0.336 0.000 0.892 709 L HN 0.237 nan 8.230 nan 0.000 0.435 710 F N -1.243 118.569 119.950 -0.231 0.000 2.134 710 F HA -0.209 4.318 4.527 0.001 0.000 0.299 710 F C 2.287 177.922 175.800 -0.276 0.000 1.097 710 F CA 1.194 58.984 58.000 -0.349 0.000 1.264 710 F CB -0.725 38.173 39.000 -0.170 0.000 1.001 710 F HN 0.100 nan 8.300 nan 0.000 0.479 711 L N -0.392 120.843 121.223 0.021 0.000 2.081 711 L HA -0.213 4.128 4.340 0.001 0.000 0.212 711 L C 2.273 179.139 176.870 -0.008 0.000 1.080 711 L CA 1.240 56.120 54.840 0.066 0.000 0.754 711 L CB -0.760 41.291 42.059 -0.014 0.000 0.893 711 L HN -0.045 nan 8.230 nan 0.000 0.433 712 V N -0.458 119.385 119.914 -0.118 0.000 2.239 712 V HA -0.278 3.843 4.120 0.001 0.000 0.242 712 V C 2.298 178.221 176.094 -0.285 0.000 1.038 712 V CA 1.930 64.126 62.300 -0.175 0.000 1.002 712 V CB -0.422 31.291 31.823 -0.183 0.000 0.641 712 V HN 0.338 nan 8.190 nan 0.000 0.449 713 I N -0.708 119.632 120.570 -0.383 0.000 2.367 713 I HA -0.312 3.859 4.170 0.001 0.000 0.256 713 I C 2.212 178.167 176.117 -0.271 0.000 1.132 713 I CA 1.764 62.775 61.300 -0.483 0.000 1.397 713 I CB -0.521 37.205 38.000 -0.455 0.000 1.074 713 I HN 0.232 nan 8.210 nan 0.000 0.435 714 F N 0.632 120.563 119.950 -0.032 0.000 2.148 714 F HA -0.041 4.487 4.527 0.002 0.000 0.285 714 F C 2.717 178.487 175.800 -0.051 0.000 1.092 714 F CA 0.743 58.772 58.000 0.048 0.000 1.218 714 F CB -1.208 37.847 39.000 0.090 0.000 1.059 714 F HN -0.084 nan 8.300 nan 0.000 0.490 715 Q N 0.085 119.943 119.800 0.096 0.000 2.118 715 Q HA -0.258 4.082 4.340 0.001 0.000 0.211 715 Q C 2.301 178.269 176.000 -0.053 0.000 0.998 715 Q CA 1.886 57.678 55.803 -0.019 0.000 0.872 715 Q CB -0.158 28.554 28.738 -0.043 0.000 0.925 715 Q HN 0.188 nan 8.270 nan 0.000 0.414 716 R N -0.652 119.735 120.500 -0.188 0.000 2.115 716 R HA -0.077 4.263 4.340 0.001 0.000 0.230 716 R C 2.005 178.241 176.300 -0.106 0.000 1.111 716 R CA 0.909 56.841 56.100 -0.279 0.000 0.976 716 R CB -0.583 29.271 30.300 -0.743 0.000 0.870 716 R HN 0.270 nan 8.270 nan 0.000 0.445 717 F N 1.103 120.959 119.950 -0.157 0.000 2.186 717 F HA -0.021 4.506 4.527 0.001 0.000 0.299 717 F C 2.249 178.148 175.800 0.165 0.000 1.090 717 F CA 0.738 58.843 58.000 0.175 0.000 1.307 717 F CB -0.253 38.881 39.000 0.223 0.000 1.019 717 F HN -0.122 nan 8.300 nan 0.000 0.489 718 I N -1.085 119.641 120.570 0.260 0.000 2.353 718 I HA -0.314 3.857 4.170 0.001 0.000 0.248 718 I C 2.559 178.766 176.117 0.149 0.000 1.119 718 I CA 0.976 62.355 61.300 0.131 0.000 1.417 718 I CB -0.455 37.501 38.000 -0.073 0.000 1.078 718 I HN 0.133 nan 8.210 nan 0.000 0.421 719 M N 1.413 121.088 119.600 0.124 0.000 2.082 719 M HA -0.224 4.257 4.480 0.001 0.000 0.258 719 M C 2.210 178.613 176.300 0.171 0.000 1.069 719 M CA 2.134 57.501 55.300 0.111 0.000 1.102 719 M CB -0.180 32.464 32.600 0.073 0.000 1.336 719 M HN 0.279 nan 8.290 nan 0.000 0.404 720 I N -2.354 118.370 120.570 0.257 0.000 3.564 720 I HA -0.036 4.135 4.170 0.001 0.000 0.294 720 I C 1.403 177.788 176.117 0.447 0.000 1.289 720 I CA 0.233 61.729 61.300 0.326 0.000 1.325 720 I CB -0.230 37.992 38.000 0.369 0.000 1.039 720 I HN 0.268 nan 8.210 nan 0.000 0.474 721 L N 0.450 121.906 121.223 0.390 0.000 2.296 721 L HA 0.055 4.396 4.340 0.001 0.000 0.193 721 L C 2.542 179.612 176.870 0.332 0.000 1.123 721 L CA 0.937 56.028 54.840 0.418 0.000 0.805 721 L CB -0.676 41.603 42.059 0.366 0.000 1.004 721 L HN 0.105 nan 8.230 nan 0.000 0.478 722 T N -0.728 113.958 114.554 0.221 0.000 2.822 722 T HA -0.279 4.072 4.350 0.001 0.000 0.270 722 T C 1.585 176.361 174.700 0.127 0.000 1.064 722 T CA 1.570 63.754 62.100 0.141 0.000 1.131 722 T CB -0.265 68.655 68.868 0.087 0.000 0.858 722 T HN 0.310 nan 8.240 nan 0.000 0.483 723 E N 0.043 120.339 120.200 0.161 0.000 2.150 723 E HA -0.206 4.144 4.350 0.001 0.000 0.193 723 E C 2.042 178.719 176.600 0.128 0.000 0.985 723 E CA 0.979 57.450 56.400 0.120 0.000 0.814 723 E CB -0.019 29.753 29.700 0.120 0.000 0.752 723 E HN 0.725 nan 8.360 nan 0.000 0.466 724 H N -0.515 118.631 119.070 0.126 0.000 2.465 724 H HA 0.116 4.673 4.556 0.001 0.000 0.289 724 H C 1.952 177.304 175.328 0.041 0.000 1.022 724 H CA 0.744 56.858 56.048 0.110 0.000 1.340 724 H CB 0.108 30.057 29.762 0.312 0.000 1.437 724 H HN 0.079 nan 8.280 nan 0.000 0.539 725 L N -0.350 120.926 121.223 0.087 0.000 2.093 725 L HA -0.115 4.226 4.340 0.001 0.000 0.208 725 L C 2.167 178.963 176.870 -0.123 0.000 1.085 725 L CA 0.866 55.663 54.840 -0.072 0.000 0.755 725 L CB -0.158 41.881 42.059 -0.034 0.000 0.904 725 L HN 0.214 nan 8.230 nan 0.000 0.435 726 V N -0.426 119.448 119.914 -0.065 0.000 2.871 726 V HA -0.173 3.948 4.120 0.001 0.000 0.256 726 V C 2.573 178.611 176.094 -0.092 0.000 1.082 726 V CA 1.229 63.490 62.300 -0.065 0.000 1.105 726 V CB -0.560 31.247 31.823 -0.028 0.000 0.713 726 V HN 0.430 nan 8.190 nan 0.000 0.473 727 R N -0.235 120.188 120.500 -0.128 0.000 2.057 727 R HA -0.154 4.187 4.340 0.001 0.000 0.229 727 R C 2.143 178.332 176.300 -0.184 0.000 1.136 727 R CA 2.114 58.124 56.100 -0.151 0.000 0.952 727 R CB -0.631 29.563 30.300 -0.177 0.000 0.848 727 R HN 0.480 nan 8.270 nan 0.000 0.430 728 C N 1.298 120.429 119.300 -0.282 0.000 2.466 728 C HA 0.058 4.519 4.460 0.001 0.000 0.283 728 C C 2.301 177.204 174.990 -0.145 0.000 1.472 728 C CA 0.199 59.078 59.018 -0.231 0.000 1.765 728 C CB -0.701 26.855 27.740 -0.307 0.000 1.724 728 C HN 0.546 nan 8.230 nan 0.000 0.560 729 E N 0.278 120.400 120.200 -0.130 0.000 2.166 729 E HA -0.057 4.293 4.350 0.001 0.000 0.192 729 E C 2.006 178.568 176.600 -0.063 0.000 0.967 729 E CA 0.963 57.311 56.400 -0.087 0.000 0.840 729 E CB 0.028 29.679 29.700 -0.082 0.000 0.795 729 E HN 0.509 nan 8.360 nan 0.000 0.470 730 T N 1.225 115.739 114.554 -0.066 0.000 2.896 730 T HA -0.058 4.292 4.350 0.001 0.000 0.263 730 T C 0.913 175.586 174.700 -0.046 0.000 1.050 730 T CA 1.175 63.245 62.100 -0.049 0.000 1.140 730 T CB -0.022 68.818 68.868 -0.046 0.000 0.877 730 T HN 0.058 nan 8.240 nan 0.000 0.457 731 D N 0.227 120.592 120.400 -0.057 0.000 2.305 731 D HA 0.224 4.864 4.640 0.001 0.000 0.206 731 D C 1.675 177.950 176.300 -0.042 0.000 0.974 731 D CA 0.830 54.801 54.000 -0.048 0.000 0.871 731 D CB -0.213 40.554 40.800 -0.056 0.000 0.947 731 D HN 0.442 nan 8.370 nan 0.000 0.516 732 G N 0.870 109.640 108.800 -0.050 0.000 2.141 732 G HA2 -0.264 3.697 3.960 0.001 0.000 0.242 732 G HA3 -0.264 3.697 3.960 0.001 0.000 0.242 732 G C 0.610 175.488 174.900 -0.038 0.000 0.982 732 G CA 0.655 45.732 45.100 -0.039 0.000 0.662 732 G HN 0.464 nan 8.290 nan 0.000 0.527 733 T N -0.822 113.701 114.554 -0.052 0.000 2.788 733 T HA 0.608 4.958 4.350 0.001 0.000 0.287 733 T C 0.796 175.472 174.700 -0.040 0.000 1.007 733 T CA 0.274 62.350 62.100 -0.041 0.000 1.005 733 T CB 1.459 70.299 68.868 -0.047 0.000 1.012 733 T HN 0.572 nan 8.240 nan 0.000 0.530 734 S N 0.677 116.373 115.700 -0.007 0.000 2.549 734 S HA 0.150 4.621 4.470 0.001 0.000 0.283 734 S C 1.538 176.148 174.600 0.016 0.000 1.320 734 S CA -0.913 57.295 58.200 0.013 0.000 1.058 734 S CB 0.918 64.145 63.200 0.045 0.000 0.882 734 S HN 0.567 nan 8.310 nan 0.000 0.498 735 V N 3.285 123.193 119.914 -0.009 0.000 2.488 735 V HA -0.026 4.094 4.120 0.001 0.000 0.246 735 V C 1.215 177.314 176.094 0.008 0.000 1.046 735 V CA 1.097 63.361 62.300 -0.059 0.000 1.053 735 V CB -0.474 31.238 31.823 -0.185 0.000 0.679 735 V HN 0.724 nan 8.190 nan 0.000 0.458 736 L N 3.006 124.275 121.223 0.077 0.000 2.530 736 L HA 0.068 4.409 4.340 0.001 0.000 0.247 736 L C 0.720 177.725 176.870 0.225 0.000 1.416 736 L CA -0.070 54.887 54.840 0.195 0.000 1.202 736 L CB -1.217 40.939 42.059 0.163 0.000 1.415 736 L HN 0.461 nan 8.230 nan 0.000 0.443 737 T N -2.937 111.797 114.554 0.300 0.000 2.922 737 T HA 0.302 4.653 4.350 0.001 0.000 0.285 737 T C -1.753 173.124 174.700 0.294 0.000 1.005 737 T CA -2.070 60.203 62.100 0.289 0.000 1.061 737 T CB 1.723 70.801 68.868 0.350 0.000 1.007 737 T HN 0.002 nan 8.240 nan 0.000 0.502 738 P HA -0.067 nan 4.420 nan 0.000 0.217 738 P C 0.828 178.264 177.300 0.227 0.000 1.148 738 P CA 0.821 64.042 63.100 0.203 0.000 0.828 738 P CB 0.001 31.809 31.700 0.181 0.000 0.783 739 W N -1.541 119.820 121.300 0.102 0.000 2.476 739 W HA -0.114 4.547 4.660 0.001 0.000 0.281 739 W C 2.259 178.821 176.519 0.071 0.000 1.230 739 W CA 0.616 58.015 57.345 0.091 0.000 1.287 739 W CB -0.649 28.851 29.460 0.067 0.000 1.108 739 W HN -0.088 nan 8.180 nan 0.000 0.567 740 Y N 1.744 122.122 120.300 0.130 0.000 2.263 740 Y HA -0.123 4.428 4.550 0.001 0.000 0.292 740 Y C 2.560 178.412 175.900 -0.080 0.000 1.130 740 Y CA 2.534 60.596 58.100 -0.063 0.000 1.179 740 Y CB -0.798 37.665 38.460 0.006 0.000 0.998 740 Y HN -0.071 nan 8.280 nan 0.000 0.532 741 K N 0.419 120.830 120.400 0.018 0.000 1.977 741 K HA -0.256 4.065 4.320 0.001 0.000 0.218 741 K C 1.818 178.266 176.600 -0.253 0.000 1.051 741 K CA 2.046 58.273 56.287 -0.100 0.000 0.953 741 K CB -0.401 32.115 32.500 0.027 0.000 0.727 741 K HN 0.383 nan 8.250 nan 0.000 0.445 742 N N 1.145 119.718 118.700 -0.211 0.000 2.011 742 N HA -0.254 4.487 4.740 0.001 0.000 0.199 742 N C 2.143 177.408 175.510 -0.409 0.000 1.047 742 N CA 1.591 54.469 53.050 -0.285 0.000 0.863 742 N CB -1.232 37.125 38.487 -0.216 0.000 1.056 742 N HN 0.411 nan 8.380 nan 0.000 0.427 743 C N 1.203 120.203 119.300 -0.500 0.000 2.363 743 C HA -0.165 4.296 4.460 0.001 0.000 0.274 743 C C 2.806 177.635 174.990 -0.268 0.000 1.183 743 C CA 0.698 59.496 59.018 -0.366 0.000 1.771 743 C CB -1.279 26.020 27.740 -0.735 0.000 2.059 743 C HN 0.439 nan 8.230 nan 0.000 0.455 744 I N 0.973 121.257 120.570 -0.476 0.000 2.226 744 I HA -0.143 4.028 4.170 0.001 0.000 0.245 744 I C 2.434 178.354 176.117 -0.328 0.000 1.100 744 I CA 1.954 62.989 61.300 -0.440 0.000 1.374 744 I CB -0.649 36.912 38.000 -0.732 0.000 1.057 744 I HN 0.462 nan 8.210 nan 0.000 0.413 745 E N -0.230 119.780 120.200 -0.318 0.000 2.150 745 E HA -0.180 4.171 4.350 0.001 0.000 0.193 745 E C 2.191 178.632 176.600 -0.266 0.000 0.985 745 E CA 0.477 56.740 56.400 -0.229 0.000 0.814 745 E CB -0.088 29.497 29.700 -0.192 0.000 0.752 745 E HN 0.369 nan 8.360 nan 0.000 0.466 746 R N 0.743 121.007 120.500 -0.393 0.000 2.081 746 R HA -0.132 4.209 4.340 0.001 0.000 0.235 746 R C 2.470 178.531 176.300 -0.398 0.000 1.131 746 R CA 0.680 56.486 56.100 -0.490 0.000 0.960 746 R CB -0.960 28.785 30.300 -0.925 0.000 0.856 746 R HN 0.209 nan 8.270 nan 0.000 0.436 747 L N 1.841 122.649 121.223 -0.690 0.000 2.187 747 L HA -0.197 4.144 4.340 0.001 0.000 0.213 747 L C 2.390 179.094 176.870 -0.278 0.000 1.100 747 L CA 1.850 56.123 54.840 -0.945 0.000 0.765 747 L CB -0.553 40.925 42.059 -0.968 0.000 0.904 747 L HN 0.242 nan 8.230 nan 0.000 0.437 748 Q N -0.929 118.802 119.800 -0.115 0.000 2.096 748 Q HA -0.255 4.085 4.340 0.001 0.000 0.197 748 Q C 2.287 178.354 176.000 0.112 0.000 0.964 748 Q CA 1.566 57.430 55.803 0.102 0.000 0.838 748 Q CB -0.289 28.469 28.738 0.034 0.000 0.906 748 Q HN 0.756 nan 8.270 nan 0.000 0.444 749 Q N -0.111 119.690 119.800 0.001 0.000 2.234 749 Q HA -0.163 4.178 4.340 0.001 0.000 0.206 749 Q C 1.889 177.956 176.000 0.111 0.000 0.980 749 Q CA 1.169 56.987 55.803 0.026 0.000 0.869 749 Q CB 0.100 28.820 28.738 -0.029 0.000 0.912 749 Q HN 0.459 nan 8.270 nan 0.000 0.436 750 I N -0.206 120.448 120.570 0.141 0.000 2.233 750 I HA -0.200 3.971 4.170 0.001 0.000 0.243 750 I C 1.877 178.164 176.117 0.285 0.000 1.093 750 I CA 1.124 62.566 61.300 0.236 0.000 1.380 750 I CB -1.431 36.639 38.000 0.118 0.000 1.067 750 I HN 0.175 nan 8.210 nan 0.000 0.413 751 F N 1.174 121.261 119.950 0.229 0.000 2.216 751 F HA -0.108 4.420 4.527 0.001 0.000 0.300 751 F C 2.431 178.391 175.800 0.266 0.000 1.085 751 F CA 1.044 59.147 58.000 0.172 0.000 1.326 751 F CB -0.798 38.249 39.000 0.078 0.000 1.027 751 F HN -0.013 nan 8.300 nan 0.000 0.497 752 L N -1.294 120.149 121.223 0.365 0.000 2.127 752 L HA -0.129 4.212 4.340 0.001 0.000 0.203 752 L C 2.321 179.303 176.870 0.186 0.000 1.080 752 L CA 1.001 56.006 54.840 0.276 0.000 0.768 752 L CB -0.668 41.479 42.059 0.148 0.000 0.924 752 L HN 0.078 nan 8.230 nan 0.000 0.444 753 Q N -0.820 118.959 119.800 -0.035 0.000 2.137 753 Q HA -0.077 4.264 4.340 0.001 0.000 0.198 753 Q C 1.001 176.741 176.000 -0.433 0.000 0.960 753 Q CA 0.842 56.462 55.803 -0.304 0.000 0.847 753 Q CB 0.303 28.693 28.738 -0.579 0.000 0.915 753 Q HN 0.533 nan 8.270 nan 0.000 0.448 754 H N -0.687 118.446 119.070 0.105 0.000 2.488 754 H HA 0.060 4.617 4.556 0.001 0.000 0.294 754 H C 1.094 176.433 175.328 0.018 0.000 1.088 754 H CA 0.275 56.361 56.048 0.064 0.000 1.086 754 H CB 0.019 29.959 29.762 0.298 0.000 1.569 754 H HN 0.478 nan 8.280 nan 0.000 0.548 755 H N 0.030 119.257 119.070 0.261 0.000 2.289 755 H HA -0.208 4.349 4.556 0.001 0.000 0.296 755 H C 2.140 177.606 175.328 0.231 0.000 1.091 755 H CA 1.745 58.014 56.048 0.369 0.000 1.274 755 H CB -0.173 29.791 29.762 0.336 0.000 1.364 755 H HN 0.183 nan 8.280 nan 0.000 0.490 756 Q N 0.862 120.667 119.800 0.008 0.000 2.118 756 Q HA -0.149 4.192 4.340 0.001 0.000 0.211 756 Q C 2.192 178.202 176.000 0.016 0.000 0.998 756 Q CA 2.468 58.323 55.803 0.087 0.000 0.872 756 Q CB -0.381 28.326 28.738 -0.050 0.000 0.925 756 Q HN 0.666 nan 8.270 nan 0.000 0.414 757 I N -0.361 120.181 120.570 -0.047 0.000 2.193 757 I HA -0.215 3.956 4.170 0.001 0.000 0.240 757 I C 2.367 178.268 176.117 -0.359 0.000 1.084 757 I CA 1.063 62.264 61.300 -0.165 0.000 1.365 757 I CB -0.978 36.933 38.000 -0.148 0.000 1.064 757 I HN 0.262 nan 8.210 nan 0.000 0.410 758 I N 1.066 121.476 120.570 -0.267 0.000 2.185 758 I HA -0.371 3.799 4.170 0.001 0.000 0.246 758 I C 2.582 178.636 176.117 -0.106 0.000 1.088 758 I CA 1.496 62.688 61.300 -0.179 0.000 1.347 758 I CB -0.473 37.559 38.000 0.053 0.000 1.041 758 I HN 0.347 nan 8.210 nan 0.000 0.415 759 Q N 0.216 120.077 119.800 0.102 0.000 2.389 759 Q HA -0.290 4.051 4.340 0.001 0.000 0.213 759 Q C 1.916 177.877 176.000 -0.065 0.000 0.989 759 Q CA 1.219 57.098 55.803 0.126 0.000 0.891 759 Q CB -0.293 28.495 28.738 0.084 0.000 0.923 759 Q HN 0.656 nan 8.270 nan 0.000 0.455 760 Q N -0.664 118.927 119.800 -0.349 0.000 2.435 760 Q HA -0.090 4.251 4.340 0.001 0.000 0.207 760 Q C 0.153 175.977 176.000 -0.293 0.000 0.956 760 Q CA 0.691 56.253 55.803 -0.401 0.000 0.917 760 Q CB 0.334 28.738 28.738 -0.558 0.000 0.997 760 Q HN 0.606 nan 8.270 nan 0.000 0.497 761 Y N -1.595 118.772 120.300 0.111 0.000 2.720 761 Y HA 0.215 4.765 4.550 0.001 0.000 0.268 761 Y C 1.490 177.480 175.900 0.151 0.000 1.142 761 Y CA -0.705 57.469 58.100 0.122 0.000 1.193 761 Y CB 0.318 38.858 38.460 0.133 0.000 1.176 761 Y HN 0.029 nan 8.280 nan 0.000 0.542 762 M N -0.033 119.707 119.600 0.232 0.000 2.108 762 M HA -0.195 4.286 4.480 0.001 0.000 0.261 762 M C 2.057 178.485 176.300 0.213 0.000 1.066 762 M CA 1.453 56.900 55.300 0.245 0.000 1.107 762 M CB -0.796 31.907 32.600 0.173 0.000 1.356 762 M HN 0.354 nan 8.290 nan 0.000 0.406 763 V N -1.234 118.782 119.914 0.170 0.000 2.490 763 V HA -0.217 3.904 4.120 0.001 0.000 0.250 763 V C 2.220 178.398 176.094 0.140 0.000 1.061 763 V CA 2.009 64.392 62.300 0.138 0.000 1.064 763 V CB -1.723 30.170 31.823 0.116 0.000 0.670 763 V HN 0.434 nan 8.190 nan 0.000 0.461 764 T N 0.265 114.921 114.554 0.170 0.000 2.837 764 T HA 0.132 4.482 4.350 0.001 0.000 0.248 764 T C 1.897 176.671 174.700 0.123 0.000 1.033 764 T CA 0.996 63.181 62.100 0.142 0.000 1.150 764 T CB -0.241 68.720 68.868 0.154 0.000 0.865 764 T HN 0.230 nan 8.240 nan 0.000 0.425 765 L N 1.195 122.510 121.223 0.153 0.000 1.963 765 L HA -0.202 4.139 4.340 0.001 0.000 0.220 765 L C 2.777 179.590 176.870 -0.096 0.000 1.076 765 L CA 1.891 56.743 54.840 0.020 0.000 0.772 765 L CB -0.571 41.483 42.059 -0.008 0.000 0.892 765 L HN 0.353 nan 8.230 nan 0.000 0.435 766 E N 0.070 120.333 120.200 0.106 0.000 2.048 766 E HA -0.282 4.068 4.350 0.001 0.000 0.202 766 E C 1.681 178.366 176.600 0.141 0.000 1.021 766 E CA 2.010 58.557 56.400 0.246 0.000 0.825 766 E CB -0.022 29.877 29.700 0.332 0.000 0.756 766 E HN 0.483 nan 8.360 nan 0.000 0.454 767 N N -0.647 118.121 118.700 0.113 0.000 2.422 767 N HA 0.034 4.775 4.740 0.001 0.000 0.181 767 N C 1.448 176.990 175.510 0.053 0.000 1.080 767 N CA 0.534 53.634 53.050 0.083 0.000 0.893 767 N CB 0.493 39.027 38.487 0.078 0.000 0.973 767 N HN 0.278 nan 8.380 nan 0.000 0.456 768 L N -0.974 120.273 121.223 0.040 0.000 2.638 768 L HA 0.264 4.605 4.340 0.001 0.000 0.195 768 L C 1.744 178.599 176.870 -0.025 0.000 1.065 768 L CA 0.092 54.941 54.840 0.016 0.000 0.859 768 L CB -0.082 41.993 42.059 0.026 0.000 1.269 768 L HN -0.097 nan 8.230 nan 0.000 0.484 769 L N -0.673 120.530 121.223 -0.033 0.000 2.341 769 L HA 0.085 4.425 4.340 0.001 0.000 0.214 769 L C -0.229 176.407 176.870 -0.390 0.000 1.115 769 L CA 0.834 55.577 54.840 -0.162 0.000 0.820 769 L CB 0.300 42.299 42.059 -0.098 0.000 0.944 769 L HN 0.100 nan 8.230 nan 0.000 0.452 770 F N -0.141 119.624 119.950 -0.308 0.000 2.691 770 F HA 0.262 4.790 4.527 0.001 0.000 0.371 770 F C 0.416 176.144 175.800 -0.120 0.000 1.159 770 F CA -0.892 56.931 58.000 -0.296 0.000 1.174 770 F CB 0.999 39.569 39.000 -0.717 0.000 1.419 770 F HN -0.205 nan 8.300 nan 0.000 0.514 771 T N -1.986 112.611 114.554 0.071 0.000 2.905 771 T HA 0.736 5.087 4.350 0.001 0.000 0.283 771 T C 1.272 176.028 174.700 0.093 0.000 1.031 771 T CA -0.253 61.900 62.100 0.088 0.000 1.002 771 T CB 1.630 70.527 68.868 0.049 0.000 1.200 771 T HN 0.301 nan 8.240 nan 0.000 0.560 772 A N 1.444 124.315 122.820 0.085 0.000 1.881 772 A HA -0.238 4.082 4.320 0.001 0.000 0.219 772 A C 2.213 179.837 177.584 0.066 0.000 1.215 772 A CA 2.338 54.421 52.037 0.078 0.000 0.648 772 A CB -1.338 17.698 19.000 0.061 0.000 0.832 772 A HN 0.995 nan 8.150 nan 0.000 0.455 773 E N 0.073 120.301 120.200 0.047 0.000 2.301 773 E HA -0.187 4.164 4.350 0.001 0.000 0.202 773 E C 0.132 176.755 176.600 0.038 0.000 1.017 773 E CA 0.602 57.023 56.400 0.035 0.000 0.831 773 E CB -0.933 28.779 29.700 0.021 0.000 0.742 773 E HN 0.471 nan 8.360 nan 0.000 0.491 774 L N 3.132 124.381 121.223 0.043 0.000 2.455 774 L HA 0.023 4.364 4.340 0.001 0.000 0.272 774 L C 0.823 177.746 176.870 0.088 0.000 1.174 774 L CA 0.360 55.228 54.840 0.048 0.000 0.869 774 L CB 0.298 42.377 42.059 0.035 0.000 1.130 774 L HN -0.017 nan 8.230 nan 0.000 0.474 775 D N 5.910 126.363 120.400 0.088 0.000 2.548 775 D HA -0.079 4.562 4.640 0.001 0.000 0.231 775 D C -1.472 174.938 176.300 0.182 0.000 1.142 775 D CA -0.750 53.316 54.000 0.111 0.000 0.866 775 D CB 1.278 42.127 40.800 0.081 0.000 1.190 775 D HN 0.362 nan 8.370 nan 0.000 0.469 776 P HA -0.177 nan 4.420 nan 0.000 0.218 776 P C 0.802 178.280 177.300 0.297 0.000 1.149 776 P CA 1.328 64.570 63.100 0.237 0.000 0.817 776 P CB 0.112 31.936 31.700 0.206 0.000 0.785 777 H N -0.431 118.729 119.070 0.150 0.000 2.387 777 H HA -0.019 4.538 4.556 0.001 0.000 0.299 777 H C 2.184 177.642 175.328 0.216 0.000 1.090 777 H CA 1.050 57.215 56.048 0.195 0.000 1.332 777 H CB -1.046 28.873 29.762 0.260 0.000 1.386 777 H HN 0.178 nan 8.280 nan 0.000 0.516 778 I N -0.581 120.204 120.570 0.359 0.000 2.315 778 I HA -0.180 3.991 4.170 0.001 0.000 0.233 778 I C 2.287 178.614 176.117 0.350 0.000 1.067 778 I CA 0.537 62.028 61.300 0.319 0.000 1.376 778 I CB -0.388 37.769 38.000 0.261 0.000 1.143 778 I HN 0.113 nan 8.210 nan 0.000 0.421 779 L N 0.904 122.333 121.223 0.344 0.000 2.123 779 L HA -0.378 3.962 4.340 0.001 0.000 0.217 779 L C 2.759 179.802 176.870 0.288 0.000 1.081 779 L CA 1.675 56.748 54.840 0.389 0.000 0.772 779 L CB -0.465 41.764 42.059 0.284 0.000 0.890 779 L HN 0.403 nan 8.230 nan 0.000 0.437 780 A N -0.755 122.188 122.820 0.205 0.000 1.881 780 A HA -0.284 4.037 4.320 0.001 0.000 0.219 780 A C 2.190 179.823 177.584 0.082 0.000 1.215 780 A CA 2.498 54.603 52.037 0.113 0.000 0.648 780 A CB -1.171 17.882 19.000 0.088 0.000 0.832 780 A HN 0.290 nan 8.150 nan 0.000 0.455 781 V N -1.295 118.699 119.914 0.134 0.000 2.469 781 V HA -0.247 3.874 4.120 0.001 0.000 0.251 781 V C 2.257 178.300 176.094 -0.085 0.000 1.064 781 V CA 2.225 64.582 62.300 0.096 0.000 1.066 781 V CB -0.880 31.075 31.823 0.221 0.000 0.667 781 V HN 0.642 nan 8.190 nan 0.000 0.461 782 F N 1.180 120.967 119.950 -0.271 0.000 2.113 782 F HA -0.171 4.357 4.527 0.001 0.000 0.297 782 F C 2.431 178.029 175.800 -0.337 0.000 1.103 782 F CA 1.824 59.418 58.000 -0.677 0.000 1.248 782 F CB -0.454 38.089 39.000 -0.762 0.000 0.999 782 F HN 0.189 nan 8.300 nan 0.000 0.475 783 Q N -0.300 119.317 119.800 -0.305 0.000 2.291 783 Q HA -0.189 4.151 4.340 0.001 0.000 0.205 783 Q C 2.097 177.929 176.000 -0.280 0.000 0.970 783 Q CA 1.393 57.005 55.803 -0.319 0.000 0.876 783 Q CB -0.202 28.470 28.738 -0.111 0.000 0.935 783 Q HN 0.612 nan 8.270 nan 0.000 0.455 784 Q N -0.073 119.599 119.800 -0.214 0.000 2.008 784 Q HA -0.128 4.213 4.340 0.001 0.000 0.196 784 Q C 1.853 177.716 176.000 -0.228 0.000 0.973 784 Q CA 1.184 56.894 55.803 -0.156 0.000 0.826 784 Q CB -0.234 28.457 28.738 -0.078 0.000 0.894 784 Q HN 0.350 nan 8.270 nan 0.000 0.439 785 F N 1.081 120.748 119.950 -0.472 0.000 2.115 785 F HA -0.321 4.206 4.527 0.001 0.000 0.300 785 F C 1.908 177.423 175.800 -0.475 0.000 1.092 785 F CA 1.350 59.029 58.000 -0.536 0.000 1.245 785 F CB -0.477 37.910 39.000 -1.023 0.000 0.995 785 F HN 0.097 nan 8.300 nan 0.000 0.481 786 C N 0.758 119.598 119.300 -0.767 0.000 2.432 786 C HA 0.067 4.528 4.460 0.001 0.000 0.282 786 C C 3.103 177.783 174.990 -0.516 0.000 1.388 786 C CA 0.772 59.332 59.018 -0.763 0.000 1.777 786 C CB -2.114 25.253 27.740 -0.622 0.000 1.882 786 C HN 0.658 nan 8.230 nan 0.000 0.520 787 A N 0.499 123.099 122.820 -0.368 0.000 2.121 787 A HA -0.012 4.308 4.320 0.001 0.000 0.218 787 A C 2.009 179.435 177.584 -0.264 0.000 1.154 787 A CA 1.109 53.023 52.037 -0.205 0.000 0.679 787 A CB -0.435 18.559 19.000 -0.010 0.000 0.795 787 A HN 0.658 nan 8.150 nan 0.000 0.458 788 L N -1.340 119.656 121.223 -0.379 0.000 2.072 788 L HA -0.103 4.238 4.340 0.001 0.000 0.205 788 L C 1.588 178.245 176.870 -0.355 0.000 1.079 788 L CA 0.813 55.419 54.840 -0.390 0.000 0.752 788 L CB -0.253 41.525 42.059 -0.469 0.000 0.906 788 L HN 0.283 nan 8.230 nan 0.000 0.436 789 Q N -0.280 119.292 119.800 -0.379 0.000 2.225 789 Q HA 0.487 4.828 4.340 0.001 0.000 0.259 789 Q C -0.269 175.593 176.000 -0.230 0.000 0.872 789 Q CA 0.058 55.696 55.803 -0.274 0.000 1.042 789 Q CB 1.146 29.722 28.738 -0.270 0.000 1.142 789 Q HN 0.374 nan 8.270 nan 0.000 0.463 790 A N 0.000 122.678 122.820 -0.237 0.000 2.254 790 A HA 0.000 4.321 4.320 0.001 0.000 0.244 790 A CA 0.000 51.916 52.037 -0.201 0.000 0.836 790 A CB 0.000 18.883 19.000 -0.195 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486