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 1hy1_1_D DATA FIRST_RESID 17 DATA SEQUENCE TDPIMEKLNS SIAYDQRLSE VDIQGSMAYA KALEKAGILT KTELEKILSG DATA SEQUENCE LEKISEEWSK GVFVVKQSDE DIHTANERRL KELIGDIAGK LHTGRSRNDQ DATA SEQUENCE VVTDLKLFMK NSLSIISTHL LQLIKTLVER AAIEIDVILP GYTHLQKAQP DATA SEQUENCE IRWSQFLLSH AVALTRDSER LGEVKKRINV LPLGSGALAG NPLDIDREML DATA SEQUENCE RSELEFASIS LNSMDAISER DFVVEFLSFA TLLMIHLSKM AEDLIIYSTS DATA SEQUENCE EFGFLTLSDA FSTGSSLMPQ KKNPDSLELI RSKAGRVFGR LASILMVLKG DATA SEQUENCE LPSTYNKDLQ EDKEAVFDVV DTLTAVLQVA TGVISTLQIS KENMEKALTP DATA SEQUENCE EMLATDLALY LVRKGVPFRQ AHTASGKAVH LAETKGITIN KLSLEDLKSI DATA SEQUENCE SPQFSSDVSQ VFNFVNSVEQ YTALAGTAKS SVTTQIEQLR ELMKKQKEQ 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 17 T HA 0.000 nan 4.350 nan 0.000 0.228 17 T C 0.000 174.705 174.700 0.009 0.000 1.109 17 T CA 0.000 62.105 62.100 0.009 0.000 1.349 17 T CB 0.000 68.874 68.868 0.009 0.000 0.612 18 D N 5.256 125.661 120.400 0.009 0.000 2.424 18 D HA 0.295 4.927 4.640 -0.014 0.000 0.244 18 D C -0.476 175.831 176.300 0.011 0.000 1.134 18 D CA -1.574 52.431 54.000 0.009 0.000 0.881 18 D CB 1.430 42.235 40.800 0.008 0.000 1.191 18 D HN 0.247 nan 8.370 nan 0.000 0.445 19 P HA -0.156 nan 4.420 nan 0.000 0.216 19 P C 1.363 178.672 177.300 0.014 0.000 1.153 19 P CA 0.828 63.936 63.100 0.012 0.000 0.848 19 P CB 0.246 31.953 31.700 0.011 0.000 0.787 20 I N -0.875 119.703 120.570 0.013 0.000 2.252 20 I HA -0.170 3.992 4.170 -0.014 0.000 0.245 20 I C 2.844 178.971 176.117 0.017 0.000 1.102 20 I CA 1.353 62.662 61.300 0.015 0.000 1.385 20 I CB -1.096 36.912 38.000 0.012 0.000 1.064 20 I HN -0.172 nan 8.210 nan 0.000 0.414 21 M N -0.196 119.413 119.600 0.014 0.000 2.082 21 M HA -0.292 4.180 4.480 -0.014 0.000 0.258 21 M C 2.387 178.698 176.300 0.019 0.000 1.071 21 M CA 1.843 57.152 55.300 0.015 0.000 1.103 21 M CB -1.145 31.463 32.600 0.013 0.000 1.307 21 M HN 0.335 nan 8.290 nan 0.000 0.409 22 E N 0.181 120.391 120.200 0.017 0.000 2.147 22 E HA -0.268 4.074 4.350 -0.014 0.000 0.199 22 E C 2.007 178.620 176.600 0.022 0.000 1.005 22 E CA 1.619 58.030 56.400 0.018 0.000 0.810 22 E CB -0.024 29.686 29.700 0.016 0.000 0.736 22 E HN 0.379 nan 8.360 nan 0.000 0.460 23 K N -0.241 120.173 120.400 0.024 0.000 2.217 23 K HA -0.111 4.201 4.320 -0.014 0.000 0.202 23 K C 1.889 178.513 176.600 0.041 0.000 1.051 23 K CA 0.424 56.729 56.287 0.030 0.000 0.952 23 K CB 0.132 32.649 32.500 0.029 0.000 0.736 23 K HN 0.099 nan 8.250 nan 0.000 0.453 24 L N 1.205 122.450 121.223 0.037 0.000 2.240 24 L HA -0.028 4.304 4.340 -0.014 0.000 0.211 24 L C 1.396 178.299 176.870 0.054 0.000 1.106 24 L CA 1.568 56.435 54.840 0.045 0.000 0.793 24 L CB -0.495 41.583 42.059 0.031 0.000 0.927 24 L HN 0.219 nan 8.230 nan 0.000 0.446 25 N N -1.786 116.939 118.700 0.040 0.000 2.415 25 N HA -0.034 4.697 4.740 -0.014 0.000 0.176 25 N C 0.778 176.305 175.510 0.028 0.000 1.042 25 N CA -0.017 53.055 53.050 0.038 0.000 0.902 25 N CB 0.286 38.788 38.487 0.026 0.000 0.986 25 N HN 0.138 nan 8.380 nan 0.000 0.447 26 S N 0.159 115.871 115.700 0.021 0.000 2.566 26 S HA 0.054 4.515 4.470 -0.014 0.000 0.280 26 S C 0.920 175.479 174.600 -0.068 0.000 1.343 26 S CA 0.179 58.370 58.200 -0.014 0.000 1.036 26 S CB 0.583 63.782 63.200 -0.001 0.000 0.866 26 S HN 0.351 nan 8.310 nan 0.000 0.526 27 S N 2.738 118.305 115.700 -0.222 0.000 2.822 27 S HA 0.052 4.513 4.470 -0.014 0.000 0.251 27 S C 0.894 175.078 174.600 -0.693 0.000 0.946 27 S CA 0.046 57.825 58.200 -0.701 0.000 1.377 27 S CB -0.647 62.250 63.200 -0.505 0.000 1.230 27 S HN 0.637 nan 8.310 nan 0.000 0.671 28 I N 3.274 123.669 120.570 -0.291 0.000 2.454 28 I HA 0.159 4.321 4.170 -0.014 0.000 0.254 28 I C 2.312 178.349 176.117 -0.135 0.000 1.156 28 I CA 1.529 62.738 61.300 -0.151 0.000 1.433 28 I CB -0.571 37.413 38.000 -0.027 0.000 1.082 28 I HN 0.477 nan 8.210 nan 0.000 0.432 29 A N -0.341 122.394 122.820 -0.143 0.000 2.067 29 A HA -0.154 4.158 4.320 -0.014 0.000 0.219 29 A C 1.885 179.502 177.584 0.056 0.000 1.158 29 A CA 1.867 53.899 52.037 -0.009 0.000 0.661 29 A CB -0.841 18.199 19.000 0.067 0.000 0.801 29 A HN 0.744 nan 8.150 nan 0.000 0.452 30 Y N -2.082 118.251 120.300 0.054 0.000 2.441 30 Y HA 0.240 4.782 4.550 -0.014 0.000 0.266 30 Y C 0.829 176.743 175.900 0.024 0.000 1.093 30 Y CA -0.246 57.886 58.100 0.053 0.000 1.246 30 Y CB -0.258 38.288 38.460 0.143 0.000 1.262 30 Y HN 0.241 nan 8.280 nan 0.000 0.518 31 D N 0.846 121.219 120.400 -0.045 0.000 2.319 31 D HA -0.048 4.584 4.640 -0.014 0.000 0.230 31 D C 1.070 177.267 176.300 -0.172 0.000 1.094 31 D CA 0.208 54.248 54.000 0.066 0.000 0.856 31 D CB -0.129 40.703 40.800 0.053 0.000 0.915 31 D HN 0.553 nan 8.370 nan 0.000 0.517 32 Q N 0.170 119.835 119.800 -0.226 0.000 2.291 32 Q HA -0.044 4.288 4.340 -0.014 0.000 0.205 32 Q C 1.768 177.464 176.000 -0.507 0.000 0.970 32 Q CA 0.770 56.362 55.803 -0.353 0.000 0.876 32 Q CB -0.007 28.605 28.738 -0.209 0.000 0.935 32 Q HN 0.399 nan 8.270 nan 0.000 0.455 33 R N 0.343 120.556 120.500 -0.478 0.000 2.159 33 R HA -0.119 4.213 4.340 -0.014 0.000 0.237 33 R C 1.487 177.511 176.300 -0.460 0.000 1.131 33 R CA 0.887 56.685 56.100 -0.504 0.000 0.982 33 R CB -0.349 29.484 30.300 -0.779 0.000 0.868 33 R HN 0.237 nan 8.270 nan 0.000 0.453 34 L N 1.553 122.504 121.223 -0.453 0.000 2.645 34 L HA 0.065 4.396 4.340 -0.014 0.000 0.234 34 L C 2.057 178.673 176.870 -0.424 0.000 1.165 34 L CA -0.086 54.549 54.840 -0.342 0.000 0.944 34 L CB -0.406 41.514 42.059 -0.232 0.000 1.149 34 L HN 0.229 nan 8.230 nan 0.000 0.446 35 S N 0.316 115.628 115.700 -0.646 0.000 2.349 35 S HA -0.261 4.201 4.470 -0.014 0.000 0.216 35 S C 1.853 176.120 174.600 -0.555 0.000 1.033 35 S CA 1.334 59.001 58.200 -0.888 0.000 1.021 35 S CB -0.306 61.703 63.200 -1.984 0.000 0.968 35 S HN 0.410 nan 8.310 nan 0.000 0.426 36 E N 1.645 121.566 120.200 -0.464 0.000 2.130 36 E HA -0.144 4.198 4.350 -0.014 0.000 0.196 36 E C 2.048 178.557 176.600 -0.150 0.000 0.998 36 E CA 1.853 58.116 56.400 -0.228 0.000 0.806 36 E CB -0.806 28.803 29.700 -0.152 0.000 0.738 36 E HN 0.638 nan 8.360 nan 0.000 0.459 37 V N -1.078 118.749 119.914 -0.144 0.000 2.515 37 V HA -0.149 3.963 4.120 -0.014 0.000 0.250 37 V C 2.122 178.156 176.094 -0.101 0.000 1.058 37 V CA 2.139 64.388 62.300 -0.085 0.000 1.064 37 V CB -0.859 30.952 31.823 -0.020 0.000 0.675 37 V HN 0.160 nan 8.190 nan 0.000 0.461 38 D N 0.792 121.088 120.400 -0.174 0.000 2.097 38 D HA -0.126 4.506 4.640 -0.014 0.000 0.197 38 D C 1.923 178.155 176.300 -0.112 0.000 0.984 38 D CA 1.959 55.845 54.000 -0.191 0.000 0.826 38 D CB -0.266 40.338 40.800 -0.327 0.000 0.973 38 D HN 0.517 nan 8.370 nan 0.000 0.460 39 I N -0.098 120.414 120.570 -0.096 0.000 2.179 39 I HA -0.241 3.920 4.170 -0.014 0.000 0.242 39 I C 2.379 178.489 176.117 -0.012 0.000 1.088 39 I CA 0.903 62.185 61.300 -0.029 0.000 1.357 39 I CB -0.362 37.639 38.000 0.001 0.000 1.051 39 I HN 0.091 nan 8.210 nan 0.000 0.409 40 Q N 1.240 121.024 119.800 -0.027 0.000 2.181 40 Q HA -0.140 4.192 4.340 -0.014 0.000 0.205 40 Q C 2.098 178.103 176.000 0.008 0.000 0.980 40 Q CA 1.932 57.727 55.803 -0.014 0.000 0.862 40 Q CB -0.602 28.114 28.738 -0.037 0.000 0.905 40 Q HN 0.517 nan 8.270 nan 0.000 0.429 41 G N -1.445 107.356 108.800 0.002 0.000 2.484 41 G HA2 -0.135 3.817 3.960 -0.014 0.000 0.218 41 G HA3 -0.135 3.817 3.960 -0.014 0.000 0.218 41 G C 1.431 176.363 174.900 0.053 0.000 1.130 41 G CA 0.746 45.864 45.100 0.030 0.000 0.784 41 G HN 0.346 nan 8.290 nan 0.000 0.543 42 S N 0.310 116.033 115.700 0.038 0.000 2.371 42 S HA 0.039 4.501 4.470 -0.014 0.000 0.221 42 S C 2.398 177.059 174.600 0.100 0.000 1.036 42 S CA 0.769 59.013 58.200 0.073 0.000 0.965 42 S CB -0.208 63.015 63.200 0.038 0.000 0.845 42 S HN 0.310 nan 8.310 nan 0.000 0.475 43 M N 1.579 121.217 119.600 0.064 0.000 2.082 43 M HA -0.168 4.304 4.480 -0.014 0.000 0.258 43 M C 2.504 178.841 176.300 0.062 0.000 1.069 43 M CA 1.675 57.007 55.300 0.054 0.000 1.102 43 M CB -0.687 31.934 32.600 0.035 0.000 1.336 43 M HN 0.401 nan 8.290 nan 0.000 0.404 44 A N -0.378 122.487 122.820 0.075 0.000 1.865 44 A HA -0.240 4.072 4.320 -0.014 0.000 0.217 44 A C 2.034 179.687 177.584 0.115 0.000 1.191 44 A CA 1.751 53.840 52.037 0.085 0.000 0.623 44 A CB -1.239 17.822 19.000 0.102 0.000 0.826 44 A HN 0.551 nan 8.150 nan 0.000 0.444 45 Y N 0.518 120.826 120.300 0.014 0.000 2.181 45 Y HA -0.089 4.452 4.550 -0.015 0.000 0.288 45 Y C 2.754 178.662 175.900 0.013 0.000 1.146 45 Y CA 0.975 59.082 58.100 0.011 0.000 1.164 45 Y CB -0.672 37.791 38.460 0.004 0.000 0.982 45 Y HN 0.336 nan 8.280 nan 0.000 0.515 46 A N 0.375 123.231 122.820 0.060 0.000 1.873 46 A HA -0.283 4.029 4.320 -0.014 0.000 0.218 46 A C 2.260 179.806 177.584 -0.063 0.000 1.193 46 A CA 2.365 54.399 52.037 -0.006 0.000 0.629 46 A CB -0.684 18.341 19.000 0.042 0.000 0.826 46 A HN 0.509 nan 8.150 nan 0.000 0.447 47 K N -0.531 119.849 120.400 -0.033 0.000 2.103 47 K HA -0.073 4.239 4.320 -0.014 0.000 0.207 47 K C 2.175 178.730 176.600 -0.075 0.000 1.048 47 K CA 1.108 57.373 56.287 -0.038 0.000 0.930 47 K CB -0.310 32.183 32.500 -0.013 0.000 0.716 47 K HN 0.475 nan 8.250 nan 0.000 0.444 48 A N 1.026 123.773 122.820 -0.120 0.000 2.014 48 A HA -0.045 4.267 4.320 -0.014 0.000 0.218 48 A C 1.986 179.428 177.584 -0.236 0.000 1.163 48 A CA 0.905 52.843 52.037 -0.164 0.000 0.652 48 A CB -0.337 18.552 19.000 -0.185 0.000 0.808 48 A HN 0.150 nan 8.150 nan 0.000 0.449 49 L N -0.846 120.199 121.223 -0.297 0.000 2.240 49 L HA -0.076 4.255 4.340 -0.014 0.000 0.211 49 L C 2.613 179.407 176.870 -0.126 0.000 1.106 49 L CA 1.075 55.763 54.840 -0.254 0.000 0.793 49 L CB -0.256 41.654 42.059 -0.248 0.000 0.927 49 L HN 0.445 nan 8.230 nan 0.000 0.446 50 E N 1.050 121.193 120.200 -0.095 0.000 2.152 50 E HA -0.248 4.094 4.350 -0.014 0.000 0.192 50 E C 1.985 178.555 176.600 -0.050 0.000 0.983 50 E CA 1.098 57.465 56.400 -0.055 0.000 0.818 50 E CB 0.223 29.900 29.700 -0.039 0.000 0.758 50 E HN 0.364 nan 8.360 nan 0.000 0.467 51 K N -0.280 120.084 120.400 -0.060 0.000 2.296 51 K HA 0.053 4.365 4.320 -0.014 0.000 0.200 51 K C 1.743 178.316 176.600 -0.046 0.000 1.048 51 K CA 0.788 57.047 56.287 -0.046 0.000 0.966 51 K CB 0.028 32.502 32.500 -0.044 0.000 0.754 51 K HN 0.047 nan 8.250 nan 0.000 0.466 52 A N 0.365 123.147 122.820 -0.064 0.000 2.169 52 A HA 0.187 4.499 4.320 -0.014 0.000 0.212 52 A C 1.186 178.747 177.584 -0.039 0.000 1.153 52 A CA 0.767 52.772 52.037 -0.054 0.000 0.756 52 A CB -0.303 18.652 19.000 -0.075 0.000 0.813 52 A HN 0.475 nan 8.150 nan 0.000 0.471 53 G N -0.929 107.848 108.800 -0.038 0.000 2.171 53 G HA2 -0.207 3.744 3.960 -0.014 0.000 0.238 53 G HA3 -0.207 3.744 3.960 -0.014 0.000 0.238 53 G C 0.479 175.366 174.900 -0.023 0.000 1.039 53 G CA 0.402 45.486 45.100 -0.026 0.000 0.759 53 G HN 0.462 nan 8.290 nan 0.000 0.501 54 I N -1.108 119.444 120.570 -0.031 0.000 3.790 54 I HA 0.256 4.417 4.170 -0.014 0.000 0.305 54 I C 0.342 176.451 176.117 -0.014 0.000 1.253 54 I CA 0.244 61.532 61.300 -0.021 0.000 1.355 54 I CB 0.230 38.214 38.000 -0.027 0.000 1.137 54 I HN 0.030 nan 8.210 nan 0.000 0.435 55 L N 2.527 123.737 121.223 -0.022 0.000 2.345 55 L HA 0.291 4.623 4.340 -0.014 0.000 0.274 55 L C 0.303 177.166 176.870 -0.012 0.000 0.999 55 L CA -0.157 54.676 54.840 -0.012 0.000 0.849 55 L CB 1.031 43.081 42.059 -0.015 0.000 1.220 55 L HN 0.186 nan 8.230 nan 0.000 0.422 56 T N -0.581 113.970 114.554 -0.006 0.000 2.856 56 T HA -0.041 4.300 4.350 -0.014 0.000 0.329 56 T C 1.264 175.961 174.700 -0.005 0.000 1.094 56 T CA -0.294 61.803 62.100 -0.005 0.000 1.112 56 T CB 1.347 70.214 68.868 -0.002 0.000 1.009 56 T HN 0.461 nan 8.240 nan 0.000 0.550 57 K N 0.456 120.853 120.400 -0.005 0.000 2.113 57 K HA -0.127 4.184 4.320 -0.014 0.000 0.208 57 K C 2.507 179.106 176.600 -0.000 0.000 1.047 57 K CA 2.066 58.350 56.287 -0.004 0.000 0.928 57 K CB -1.052 31.446 32.500 -0.004 0.000 0.716 57 K HN 0.832 nan 8.250 nan 0.000 0.446 58 T N -0.559 113.996 114.554 0.001 0.000 2.867 58 T HA -0.068 4.274 4.350 -0.014 0.000 0.268 58 T C 1.459 176.163 174.700 0.006 0.000 1.057 58 T CA 1.476 63.578 62.100 0.003 0.000 1.136 58 T CB -0.123 68.747 68.868 0.003 0.000 0.874 58 T HN 0.377 nan 8.240 nan 0.000 0.466 59 E N 0.025 120.229 120.200 0.006 0.000 2.107 59 E HA -0.018 4.323 4.350 -0.014 0.000 0.191 59 E C 2.080 178.688 176.600 0.013 0.000 0.982 59 E CA 0.805 57.212 56.400 0.011 0.000 0.809 59 E CB -0.184 29.522 29.700 0.010 0.000 0.756 59 E HN 0.315 nan 8.360 nan 0.000 0.459 60 L N 1.865 123.092 121.223 0.007 0.000 1.989 60 L HA -0.229 4.103 4.340 -0.014 0.000 0.211 60 L C 1.827 178.705 176.870 0.012 0.000 1.071 60 L CA 1.930 56.775 54.840 0.007 0.000 0.749 60 L CB -0.280 41.778 42.059 -0.002 0.000 0.890 60 L HN 0.047 nan 8.230 nan 0.000 0.431 61 E N -0.810 119.396 120.200 0.010 0.000 2.153 61 E HA -0.281 4.061 4.350 -0.014 0.000 0.194 61 E C 2.066 178.675 176.600 0.016 0.000 0.988 61 E CA 1.130 57.537 56.400 0.011 0.000 0.811 61 E CB -0.116 29.589 29.700 0.008 0.000 0.746 61 E HN 0.324 nan 8.360 nan 0.000 0.466 62 K N 1.505 121.915 120.400 0.016 0.000 2.002 62 K HA -0.128 4.184 4.320 -0.014 0.000 0.209 62 K C 1.813 178.429 176.600 0.027 0.000 1.048 62 K CA 1.252 57.551 56.287 0.020 0.000 0.930 62 K CB -0.262 32.249 32.500 0.019 0.000 0.714 62 K HN 0.060 nan 8.250 nan 0.000 0.438 63 I N 0.246 120.835 120.570 0.031 0.000 2.090 63 I HA -0.271 3.891 4.170 -0.014 0.000 0.236 63 I C 1.956 178.097 176.117 0.041 0.000 1.064 63 I CA 0.890 62.215 61.300 0.041 0.000 1.324 63 I CB -0.463 37.565 38.000 0.047 0.000 1.044 63 I HN 0.084 nan 8.210 nan 0.000 0.399 64 L N 0.695 121.938 121.223 0.034 0.000 2.103 64 L HA -0.283 4.049 4.340 -0.014 0.000 0.215 64 L C 2.657 179.546 176.870 0.032 0.000 1.080 64 L CA 1.777 56.636 54.840 0.032 0.000 0.764 64 L CB -1.134 40.939 42.059 0.023 0.000 0.890 64 L HN 0.177 nan 8.230 nan 0.000 0.435 65 S N -0.805 114.913 115.700 0.029 0.000 2.355 65 S HA -0.103 4.359 4.470 -0.014 0.000 0.222 65 S C 2.032 176.653 174.600 0.035 0.000 1.031 65 S CA 1.116 59.332 58.200 0.028 0.000 0.993 65 S CB -0.771 62.442 63.200 0.022 0.000 0.859 65 S HN 0.603 nan 8.310 nan 0.000 0.453 66 G N 1.985 110.809 108.800 0.039 0.000 2.453 66 G HA2 -0.125 3.827 3.960 -0.014 0.000 0.215 66 G HA3 -0.125 3.827 3.960 -0.014 0.000 0.215 66 G C 1.335 176.273 174.900 0.063 0.000 1.201 66 G CA 0.683 45.811 45.100 0.048 0.000 0.784 66 G HN 0.414 nan 8.290 nan 0.000 0.545 67 L N 0.362 121.625 121.223 0.066 0.000 2.064 67 L HA -0.202 4.129 4.340 -0.014 0.000 0.216 67 L C 2.867 179.785 176.870 0.080 0.000 1.077 67 L CA 1.744 56.631 54.840 0.077 0.000 0.766 67 L CB -0.391 41.706 42.059 0.063 0.000 0.890 67 L HN 0.275 nan 8.230 nan 0.000 0.435 68 E N 0.778 121.015 120.200 0.062 0.000 2.106 68 E HA -0.250 4.091 4.350 -0.014 0.000 0.192 68 E C 2.125 178.766 176.600 0.069 0.000 0.984 68 E CA 1.373 57.808 56.400 0.059 0.000 0.806 68 E CB 0.058 29.783 29.700 0.041 0.000 0.750 68 E HN 0.408 nan 8.360 nan 0.000 0.458 69 K N 0.440 120.877 120.400 0.062 0.000 2.057 69 K HA -0.164 4.147 4.320 -0.014 0.000 0.207 69 K C 2.409 179.057 176.600 0.080 0.000 1.049 69 K CA 1.423 57.744 56.287 0.057 0.000 0.931 69 K CB -0.297 32.227 32.500 0.040 0.000 0.714 69 K HN 0.157 nan 8.250 nan 0.000 0.440 70 I N -0.180 120.457 120.570 0.112 0.000 2.202 70 I HA -0.198 3.964 4.170 -0.014 0.000 0.242 70 I C 2.135 178.384 176.117 0.219 0.000 1.091 70 I CA 1.898 63.300 61.300 0.171 0.000 1.368 70 I CB -0.763 37.368 38.000 0.219 0.000 1.058 70 I HN 0.116 nan 8.210 nan 0.000 0.410 71 S N 0.174 116.008 115.700 0.224 0.000 2.383 71 S HA -0.284 4.177 4.470 -0.014 0.000 0.229 71 S C 2.114 176.844 174.600 0.216 0.000 1.030 71 S CA 1.753 60.110 58.200 0.262 0.000 1.002 71 S CB -0.682 62.599 63.200 0.136 0.000 0.829 71 S HN 0.683 nan 8.310 nan 0.000 0.467 72 E N 1.043 121.326 120.200 0.138 0.000 2.153 72 E HA -0.108 4.233 4.350 -0.014 0.000 0.194 72 E C 1.907 178.570 176.600 0.104 0.000 0.988 72 E CA 1.534 57.994 56.400 0.101 0.000 0.811 72 E CB -0.273 29.466 29.700 0.065 0.000 0.746 72 E HN 0.734 nan 8.360 nan 0.000 0.466 73 E N -0.916 119.345 120.200 0.101 0.000 2.028 73 E HA -0.172 4.170 4.350 -0.014 0.000 0.191 73 E C 1.955 178.614 176.600 0.099 0.000 0.988 73 E CA 1.264 57.697 56.400 0.055 0.000 0.799 73 E CB -0.357 29.356 29.700 0.023 0.000 0.755 73 E HN 0.410 nan 8.360 nan 0.000 0.447 74 W N 1.477 122.842 121.300 0.110 0.000 2.338 74 W HA -0.189 4.463 4.660 -0.012 0.000 0.304 74 W C 2.770 179.303 176.519 0.023 0.000 1.212 74 W CA 0.976 58.339 57.345 0.029 0.000 1.264 74 W CB -0.500 28.900 29.460 -0.101 0.000 1.142 74 W HN -0.029 nan 8.180 nan 0.000 0.512 75 S N 0.484 116.338 115.700 0.257 0.000 2.392 75 S HA -0.284 4.178 4.470 -0.014 0.000 0.225 75 S C 1.850 176.517 174.600 0.113 0.000 1.041 75 S CA 1.666 59.953 58.200 0.145 0.000 1.100 75 S CB -0.697 62.566 63.200 0.105 0.000 1.029 75 S HN 0.086 nan 8.310 nan 0.000 0.424 76 K N 1.199 121.655 120.400 0.094 0.000 2.442 76 K HA -0.018 4.294 4.320 -0.014 0.000 0.198 76 K C 0.959 177.604 176.600 0.075 0.000 1.042 76 K CA 0.692 57.019 56.287 0.066 0.000 0.958 76 K CB -0.786 31.741 32.500 0.045 0.000 0.766 76 K HN 0.552 nan 8.250 nan 0.000 0.474 77 G N 0.683 109.551 108.800 0.113 0.000 2.298 77 G HA2 -0.183 3.769 3.960 -0.014 0.000 0.287 77 G HA3 -0.183 3.769 3.960 -0.014 0.000 0.287 77 G C 0.285 175.230 174.900 0.075 0.000 1.075 77 G CA 0.357 45.532 45.100 0.126 0.000 0.960 77 G HN 0.175 nan 8.290 nan 0.000 0.502 78 V N -0.494 119.445 119.914 0.042 0.000 3.432 78 V HA 0.351 4.462 4.120 -0.014 0.000 0.298 78 V C 1.177 177.218 176.094 -0.088 0.000 1.464 78 V CA -0.084 62.206 62.300 -0.017 0.000 1.046 78 V CB -0.382 31.425 31.823 -0.027 0.000 0.887 78 V HN 0.531 nan 8.190 nan 0.000 0.441 79 F N 1.705 121.476 119.950 -0.298 0.000 2.626 79 F HA 0.284 4.804 4.527 -0.012 0.000 0.354 79 F C 0.014 175.570 175.800 -0.407 0.000 1.168 79 F CA 0.728 58.399 58.000 -0.548 0.000 1.368 79 F CB 0.665 38.889 39.000 -1.293 0.000 1.092 79 F HN -0.131 nan 8.300 nan 0.000 0.612 80 V N 6.471 125.715 119.914 -1.116 0.000 2.638 80 V HA 0.424 4.535 4.120 -0.014 0.000 0.306 80 V C -0.846 174.887 176.094 -0.601 0.000 1.052 80 V CA -0.925 61.025 62.300 -0.584 0.000 0.885 80 V CB 1.421 32.996 31.823 -0.413 0.000 0.999 80 V HN 0.720 nan 8.190 nan 0.000 0.424 81 V N 5.271 125.122 119.914 -0.104 0.000 2.547 81 V HA 0.634 4.746 4.120 -0.014 0.000 0.299 81 V C -0.166 175.940 176.094 0.019 0.000 1.040 81 V CA -0.472 61.876 62.300 0.080 0.000 0.913 81 V CB 1.843 33.833 31.823 0.279 0.000 0.992 81 V HN 0.934 nan 8.190 nan 0.000 0.449 82 K N 3.792 124.209 120.400 0.028 0.000 2.123 82 K HA 0.437 4.749 4.320 -0.014 0.000 0.248 82 K C 0.644 177.266 176.600 0.035 0.000 0.969 82 K CA -0.676 55.619 56.287 0.013 0.000 0.882 82 K CB 1.451 33.950 32.500 -0.002 0.000 1.080 82 K HN 0.691 nan 8.250 nan 0.000 0.441 83 Q N 0.241 120.055 119.800 0.023 0.000 2.364 83 Q HA -0.116 4.216 4.340 -0.014 0.000 0.207 83 Q C 1.579 177.596 176.000 0.028 0.000 0.970 83 Q CA 1.327 57.146 55.803 0.026 0.000 0.888 83 Q CB 0.016 28.765 28.738 0.018 0.000 0.951 83 Q HN 0.652 nan 8.270 nan 0.000 0.469 84 S N 0.116 115.833 115.700 0.029 0.000 2.461 84 S HA -0.049 4.413 4.470 -0.014 0.000 0.228 84 S C 0.480 175.106 174.600 0.043 0.000 1.005 84 S CA 0.135 58.353 58.200 0.030 0.000 0.942 84 S CB 0.007 63.223 63.200 0.026 0.000 0.776 84 S HN 0.161 nan 8.310 nan 0.000 0.514 85 D N 2.615 123.049 120.400 0.058 0.000 2.390 85 D HA 0.138 4.770 4.640 -0.014 0.000 0.249 85 D C 1.185 177.519 176.300 0.056 0.000 1.144 85 D CA 0.136 54.182 54.000 0.077 0.000 0.880 85 D CB 0.996 41.867 40.800 0.120 0.000 1.182 85 D HN 0.698 nan 8.370 nan 0.000 0.451 86 E N 1.194 121.422 120.200 0.048 0.000 2.357 86 E HA 0.023 4.365 4.350 -0.014 0.000 0.202 86 E C -0.442 176.161 176.600 0.006 0.000 0.855 86 E CA -0.085 56.326 56.400 0.019 0.000 1.048 86 E CB 0.483 30.191 29.700 0.014 0.000 1.037 86 E HN 0.245 nan 8.360 nan 0.000 0.499 87 D N 1.034 121.458 120.400 0.040 0.000 2.252 87 D HA 0.156 4.787 4.640 -0.014 0.000 0.245 87 D C 0.769 177.159 176.300 0.150 0.000 1.009 87 D CA -0.585 53.463 54.000 0.080 0.000 0.870 87 D CB 2.718 43.550 40.800 0.054 0.000 1.251 87 D HN -0.023 nan 8.370 nan 0.000 0.460 88 I N 1.758 122.415 120.570 0.145 0.000 2.399 88 I HA -0.295 3.866 4.170 -0.014 0.000 0.254 88 I C 1.539 177.665 176.117 0.015 0.000 1.146 88 I CA 1.897 63.204 61.300 0.012 0.000 1.412 88 I CB -0.240 37.658 38.000 -0.170 0.000 1.076 88 I HN 0.357 nan 8.210 nan 0.000 0.432 89 H N -0.153 118.902 119.070 -0.026 0.000 2.261 89 H HA -0.098 4.450 4.556 -0.014 0.000 0.301 89 H C 2.418 177.761 175.328 0.026 0.000 1.067 89 H CA 2.285 58.321 56.048 -0.020 0.000 1.297 89 H CB -1.433 28.304 29.762 -0.040 0.000 1.377 89 H HN 0.430 nan 8.280 nan 0.000 0.492 90 T N -1.260 113.411 114.554 0.194 0.000 2.881 90 T HA -0.099 4.242 4.350 -0.014 0.000 0.270 90 T C 2.255 177.053 174.700 0.163 0.000 1.068 90 T CA 1.091 63.281 62.100 0.150 0.000 1.131 90 T CB -0.614 68.321 68.868 0.112 0.000 0.871 90 T HN 0.408 nan 8.240 nan 0.000 0.479 91 A N 2.144 125.073 122.820 0.182 0.000 1.969 91 A HA -0.061 4.251 4.320 -0.014 0.000 0.218 91 A C 2.434 180.214 177.584 0.326 0.000 1.169 91 A CA 1.368 53.561 52.037 0.261 0.000 0.635 91 A CB -0.547 18.629 19.000 0.293 0.000 0.810 91 A HN 0.526 nan 8.150 nan 0.000 0.445 92 N N -0.313 118.522 118.700 0.226 0.000 2.336 92 N HA -0.056 4.676 4.740 -0.014 0.000 0.177 92 N C 1.627 177.249 175.510 0.186 0.000 1.018 92 N CA 1.228 54.410 53.050 0.219 0.000 0.878 92 N CB -0.267 38.287 38.487 0.112 0.000 0.997 92 N HN 0.655 nan 8.380 nan 0.000 0.433 93 E N 1.244 121.537 120.200 0.155 0.000 2.007 93 E HA -0.157 4.185 4.350 -0.014 0.000 0.194 93 E C 2.003 178.696 176.600 0.155 0.000 0.999 93 E CA 0.626 57.122 56.400 0.160 0.000 0.811 93 E CB -0.152 29.665 29.700 0.195 0.000 0.762 93 E HN 0.190 nan 8.360 nan 0.000 0.450 94 R N 1.288 121.876 120.500 0.147 0.000 2.140 94 R HA -0.246 4.086 4.340 -0.014 0.000 0.250 94 R C 2.232 178.590 176.300 0.096 0.000 1.150 94 R CA 1.936 58.103 56.100 0.111 0.000 0.966 94 R CB -0.180 30.183 30.300 0.106 0.000 0.869 94 R HN -0.040 nan 8.270 nan 0.000 0.445 95 R N 0.550 121.132 120.500 0.137 0.000 2.276 95 R HA -0.026 4.305 4.340 -0.014 0.000 0.203 95 R C 2.013 178.373 176.300 0.100 0.000 1.017 95 R CA 0.622 56.785 56.100 0.106 0.000 1.010 95 R CB -0.549 29.875 30.300 0.207 0.000 0.900 95 R HN 0.308 nan 8.270 nan 0.000 0.469 96 L N 0.406 121.700 121.223 0.118 0.000 2.072 96 L HA 0.020 4.352 4.340 -0.014 0.000 0.205 96 L C 1.593 178.507 176.870 0.073 0.000 1.079 96 L CA 1.797 56.698 54.840 0.102 0.000 0.752 96 L CB -0.306 41.823 42.059 0.117 0.000 0.906 96 L HN 0.064 nan 8.230 nan 0.000 0.436 97 K N -0.268 120.174 120.400 0.071 0.000 2.002 97 K HA -0.195 4.116 4.320 -0.014 0.000 0.209 97 K C 1.805 178.422 176.600 0.028 0.000 1.048 97 K CA 1.867 58.182 56.287 0.048 0.000 0.930 97 K CB -0.313 32.213 32.500 0.044 0.000 0.714 97 K HN 0.410 nan 8.250 nan 0.000 0.438 98 E N 0.483 120.694 120.200 0.019 0.000 2.394 98 E HA -0.187 4.155 4.350 -0.014 0.000 0.202 98 E C 1.610 178.207 176.600 -0.005 0.000 1.029 98 E CA 0.816 57.214 56.400 -0.003 0.000 0.855 98 E CB -0.029 29.656 29.700 -0.026 0.000 0.770 98 E HN 0.331 nan 8.360 nan 0.000 0.527 99 L N -1.015 120.215 121.223 0.010 0.000 2.730 99 L HA 0.199 4.531 4.340 -0.014 0.000 0.236 99 L C 2.070 178.950 176.870 0.017 0.000 1.061 99 L CA 0.040 54.886 54.840 0.009 0.000 0.898 99 L CB 0.297 42.365 42.059 0.016 0.000 1.270 99 L HN 0.057 nan 8.230 nan 0.000 0.500 100 I N -0.695 119.891 120.570 0.027 0.000 3.172 100 I HA 0.313 4.475 4.170 -0.014 0.000 0.278 100 I C 1.028 177.159 176.117 0.024 0.000 1.174 100 I CA 0.934 62.251 61.300 0.028 0.000 1.445 100 I CB 0.865 38.889 38.000 0.040 0.000 1.175 100 I HN 0.304 nan 8.210 nan 0.000 0.447 101 G N 0.620 109.434 108.800 0.024 0.000 2.384 101 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.204 101 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.204 101 G C -0.205 174.708 174.900 0.022 0.000 1.237 101 G CA 0.052 45.163 45.100 0.018 0.000 1.060 101 G HN 0.141 nan 8.290 nan 0.000 0.514 102 D N -0.147 120.261 120.400 0.014 0.000 2.264 102 D HA -0.075 4.557 4.640 -0.014 0.000 0.208 102 D C 2.383 178.693 176.300 0.016 0.000 0.966 102 D CA 1.060 55.066 54.000 0.010 0.000 0.864 102 D CB 0.144 40.945 40.800 0.002 0.000 0.933 102 D HN 0.445 nan 8.370 nan 0.000 0.499 103 I N 0.797 121.381 120.570 0.023 0.000 2.423 103 I HA -0.287 3.874 4.170 -0.014 0.000 0.254 103 I C 2.116 178.263 176.117 0.051 0.000 1.151 103 I CA 0.933 62.251 61.300 0.030 0.000 1.421 103 I CB 0.108 38.124 38.000 0.028 0.000 1.079 103 I HN -0.145 nan 8.210 nan 0.000 0.431 104 A N 0.982 123.839 122.820 0.061 0.000 1.940 104 A HA -0.159 4.153 4.320 -0.014 0.000 0.219 104 A C 2.372 180.040 177.584 0.140 0.000 1.176 104 A CA 1.649 53.747 52.037 0.101 0.000 0.631 104 A CB -1.619 17.443 19.000 0.104 0.000 0.814 104 A HN 0.541 nan 8.150 nan 0.000 0.446 105 G N -0.310 108.525 108.800 0.059 0.000 2.485 105 G HA2 -0.260 3.691 3.960 -0.014 0.000 0.221 105 G HA3 -0.260 3.691 3.960 -0.014 0.000 0.221 105 G C 1.548 176.476 174.900 0.046 0.000 1.115 105 G CA 1.105 46.180 45.100 -0.041 0.000 0.751 105 G HN 0.623 nan 8.290 nan 0.000 0.567 106 K N -0.601 119.853 120.400 0.090 0.000 2.362 106 K HA 0.091 4.403 4.320 -0.014 0.000 0.200 106 K C 2.177 178.888 176.600 0.186 0.000 1.046 106 K CA 0.127 56.477 56.287 0.105 0.000 0.952 106 K CB -0.107 32.432 32.500 0.064 0.000 0.753 106 K HN 0.250 nan 8.250 nan 0.000 0.466 107 L N 0.839 122.219 121.223 0.261 0.000 2.131 107 L HA -0.172 4.159 4.340 -0.014 0.000 0.210 107 L C 1.632 178.694 176.870 0.321 0.000 1.092 107 L CA 1.903 56.906 54.840 0.271 0.000 0.759 107 L CB -0.370 41.812 42.059 0.205 0.000 0.903 107 L HN 0.201 nan 8.230 nan 0.000 0.435 108 H N -1.408 117.736 119.070 0.122 0.000 2.457 108 H HA 0.044 4.593 4.556 -0.013 0.000 0.294 108 H C 0.540 175.941 175.328 0.122 0.000 1.064 108 H CA 0.546 56.647 56.048 0.089 0.000 1.330 108 H CB -1.299 28.491 29.762 0.047 0.000 1.395 108 H HN 0.187 nan 8.280 nan 0.000 0.541 109 T N 1.284 116.002 114.554 0.274 0.000 2.466 109 T HA 0.078 4.420 4.350 -0.014 0.000 0.234 109 T C 1.469 176.309 174.700 0.233 0.000 1.069 109 T CA 1.077 63.294 62.100 0.196 0.000 1.271 109 T CB -0.603 68.349 68.868 0.140 0.000 1.048 109 T HN 0.795 nan 8.240 nan 0.000 0.487 110 G N 3.247 112.140 108.800 0.154 0.000 2.175 110 G HA2 -0.323 3.628 3.960 -0.014 0.000 0.265 110 G HA3 -0.323 3.628 3.960 -0.014 0.000 0.265 110 G C 0.183 175.157 174.900 0.124 0.000 0.979 110 G CA 0.481 45.666 45.100 0.141 0.000 0.663 110 G HN 0.864 nan 8.290 nan 0.000 0.533 111 R N 0.420 120.958 120.500 0.063 0.000 2.310 111 R HA 0.578 4.910 4.340 -0.014 0.000 0.324 111 R C 0.271 176.499 176.300 -0.119 0.000 0.955 111 R CA 0.205 56.207 56.100 -0.164 0.000 0.830 111 R CB 1.034 31.043 30.300 -0.486 0.000 1.154 111 R HN 0.231 nan 8.270 nan 0.000 0.458 112 S N 2.045 117.665 115.700 -0.135 0.000 2.693 112 S HA 0.189 4.651 4.470 -0.014 0.000 0.276 112 S C 1.017 175.520 174.600 -0.161 0.000 1.192 112 S CA -0.563 57.562 58.200 -0.125 0.000 0.994 112 S CB 1.637 64.762 63.200 -0.126 0.000 1.012 112 S HN 0.770 nan 8.310 nan 0.000 0.550 113 R N 1.185 121.578 120.500 -0.178 0.000 2.193 113 R HA 0.145 4.476 4.340 -0.014 0.000 0.213 113 R C 1.437 177.588 176.300 -0.250 0.000 1.055 113 R CA 1.162 57.138 56.100 -0.208 0.000 0.995 113 R CB -0.315 29.843 30.300 -0.236 0.000 0.893 113 R HN 0.612 nan 8.270 nan 0.000 0.459 114 N N 0.998 119.512 118.700 -0.309 0.000 2.188 114 N HA -0.158 4.574 4.740 -0.014 0.000 0.184 114 N C 0.812 176.220 175.510 -0.170 0.000 1.018 114 N CA 1.698 54.536 53.050 -0.353 0.000 0.858 114 N CB -0.139 38.113 38.487 -0.392 0.000 0.989 114 N HN 0.485 nan 8.380 nan 0.000 0.426 115 D N -0.559 119.757 120.400 -0.141 0.000 2.367 115 D HA -0.046 4.586 4.640 -0.014 0.000 0.207 115 D C 1.560 177.803 176.300 -0.096 0.000 1.034 115 D CA 0.290 54.227 54.000 -0.105 0.000 0.861 115 D CB -0.409 40.326 40.800 -0.109 0.000 0.943 115 D HN 0.242 nan 8.370 nan 0.000 0.515 116 Q N 0.269 120.008 119.800 -0.103 0.000 2.187 116 Q HA 0.005 4.337 4.340 -0.014 0.000 0.199 116 Q C 1.851 177.881 176.000 0.050 0.000 0.957 116 Q CA 0.546 56.315 55.803 -0.057 0.000 0.857 116 Q CB 0.316 29.016 28.738 -0.064 0.000 0.929 116 Q HN 0.144 nan 8.270 nan 0.000 0.453 117 V N 0.338 120.281 119.914 0.049 0.000 2.488 117 V HA -0.146 3.966 4.120 -0.014 0.000 0.246 117 V C 2.203 178.367 176.094 0.116 0.000 1.046 117 V CA 1.480 63.862 62.300 0.136 0.000 1.053 117 V CB 0.298 32.145 31.823 0.040 0.000 0.679 117 V HN 0.513 nan 8.190 nan 0.000 0.458 118 V N -2.978 116.980 119.914 0.072 0.000 2.809 118 V HA -0.117 3.995 4.120 -0.014 0.000 0.256 118 V C 2.144 178.234 176.094 -0.006 0.000 1.080 118 V CA 2.217 64.568 62.300 0.085 0.000 1.102 118 V CB -1.197 30.664 31.823 0.063 0.000 0.705 118 V HN 0.514 nan 8.190 nan 0.000 0.475 119 T N 0.705 115.258 114.554 -0.001 0.000 2.896 119 T HA -0.076 4.266 4.350 -0.014 0.000 0.263 119 T C 1.562 176.321 174.700 0.099 0.000 1.050 119 T CA 1.663 63.776 62.100 0.022 0.000 1.140 119 T CB -0.362 68.515 68.868 0.016 0.000 0.877 119 T HN 0.546 nan 8.240 nan 0.000 0.457 120 D N 1.199 121.647 120.400 0.079 0.000 2.117 120 D HA -0.031 4.601 4.640 -0.014 0.000 0.197 120 D C 1.985 178.373 176.300 0.145 0.000 0.987 120 D CA 0.509 54.552 54.000 0.073 0.000 0.829 120 D CB -0.480 40.328 40.800 0.013 0.000 0.961 120 D HN 0.144 nan 8.370 nan 0.000 0.460 121 L N 1.201 122.524 121.223 0.167 0.000 2.017 121 L HA -0.132 4.199 4.340 -0.014 0.000 0.208 121 L C 1.887 178.910 176.870 0.255 0.000 1.073 121 L CA 1.803 56.797 54.840 0.257 0.000 0.745 121 L CB -0.381 41.863 42.059 0.310 0.000 0.894 121 L HN -0.117 nan 8.230 nan 0.000 0.432 122 K N -0.816 119.627 120.400 0.071 0.000 2.026 122 K HA -0.149 4.163 4.320 -0.014 0.000 0.208 122 K C 2.106 178.770 176.600 0.106 0.000 1.048 122 K CA 1.588 57.865 56.287 -0.017 0.000 0.929 122 K CB -0.370 32.031 32.500 -0.165 0.000 0.713 122 K HN 0.310 nan 8.250 nan 0.000 0.439 123 L N 0.077 121.395 121.223 0.157 0.000 2.079 123 L HA -0.199 4.132 4.340 -0.014 0.000 0.210 123 L C 2.404 179.292 176.870 0.030 0.000 1.081 123 L CA 1.102 55.953 54.840 0.018 0.000 0.752 123 L CB -0.374 41.690 42.059 0.007 0.000 0.896 123 L HN 0.144 nan 8.230 nan 0.000 0.433 124 F N 0.264 120.205 119.950 -0.016 0.000 2.128 124 F HA -0.183 4.338 4.527 -0.010 0.000 0.295 124 F C 2.435 178.222 175.800 -0.020 0.000 1.100 124 F CA 1.425 59.421 58.000 -0.006 0.000 1.260 124 F CB -0.147 38.898 39.000 0.075 0.000 1.009 124 F HN -0.090 nan 8.300 nan 0.000 0.476 125 M N 0.260 119.832 119.600 -0.046 0.000 2.159 125 M HA -0.201 4.271 4.480 -0.014 0.000 0.263 125 M C 2.342 178.477 176.300 -0.275 0.000 1.063 125 M CA 1.751 56.903 55.300 -0.246 0.000 1.110 125 M CB -0.506 32.049 32.600 -0.075 0.000 1.374 125 M HN 0.131 nan 8.290 nan 0.000 0.411 126 K N 0.719 121.019 120.400 -0.167 0.000 2.063 126 K HA -0.211 4.101 4.320 -0.014 0.000 0.208 126 K C 1.629 178.113 176.600 -0.194 0.000 1.048 126 K CA 1.716 57.910 56.287 -0.154 0.000 0.928 126 K CB -0.229 32.193 32.500 -0.130 0.000 0.713 126 K HN 0.415 nan 8.250 nan 0.000 0.442 127 N N -0.558 118.000 118.700 -0.236 0.000 2.216 127 N HA -0.094 4.638 4.740 -0.014 0.000 0.183 127 N C 1.442 176.788 175.510 -0.274 0.000 1.017 127 N CA 0.893 53.804 53.050 -0.232 0.000 0.861 127 N CB 0.127 38.484 38.487 -0.216 0.000 0.986 127 N HN 0.080 nan 8.380 nan 0.000 0.428 128 S N 0.977 116.420 115.700 -0.428 0.000 2.368 128 S HA -0.012 4.449 4.470 -0.014 0.000 0.224 128 S C 1.842 176.333 174.600 -0.182 0.000 1.029 128 S CA 0.382 58.353 58.200 -0.381 0.000 0.988 128 S CB -0.164 62.672 63.200 -0.606 0.000 0.838 128 S HN 0.299 nan 8.310 nan 0.000 0.462 129 L N 1.668 122.777 121.223 -0.191 0.000 2.079 129 L HA -0.073 4.258 4.340 -0.014 0.000 0.210 129 L C 2.366 179.191 176.870 -0.076 0.000 1.081 129 L CA 1.476 56.257 54.840 -0.099 0.000 0.752 129 L CB -1.602 40.377 42.059 -0.132 0.000 0.896 129 L HN 0.294 nan 8.230 nan 0.000 0.433 130 S N -0.043 115.593 115.700 -0.106 0.000 2.356 130 S HA -0.120 4.342 4.470 -0.014 0.000 0.223 130 S C 2.001 176.546 174.600 -0.092 0.000 1.032 130 S CA 1.041 59.183 58.200 -0.096 0.000 1.005 130 S CB -0.113 63.023 63.200 -0.107 0.000 0.867 130 S HN 0.323 nan 8.310 nan 0.000 0.449 131 I N 1.396 121.911 120.570 -0.090 0.000 2.179 131 I HA -0.195 3.966 4.170 -0.014 0.000 0.242 131 I C 2.091 178.184 176.117 -0.040 0.000 1.088 131 I CA 1.282 62.527 61.300 -0.092 0.000 1.357 131 I CB -0.434 37.552 38.000 -0.023 0.000 1.051 131 I HN 0.249 nan 8.210 nan 0.000 0.409 132 I N -0.051 120.565 120.570 0.076 0.000 2.208 132 I HA -0.328 3.834 4.170 -0.014 0.000 0.245 132 I C 2.804 179.006 176.117 0.141 0.000 1.097 132 I CA 1.425 62.841 61.300 0.192 0.000 1.363 132 I CB -0.383 37.775 38.000 0.263 0.000 1.051 132 I HN 0.243 nan 8.210 nan 0.000 0.413 133 S N 0.266 115.996 115.700 0.049 0.000 2.359 133 S HA -0.215 4.246 4.470 -0.014 0.000 0.224 133 S C 2.085 176.683 174.600 -0.002 0.000 1.035 133 S CA 2.365 60.579 58.200 0.022 0.000 1.018 133 S CB -0.359 62.822 63.200 -0.030 0.000 0.876 133 S HN 0.431 nan 8.310 nan 0.000 0.448 134 T N 1.490 115.994 114.554 -0.084 0.000 2.684 134 T HA -0.121 4.221 4.350 -0.014 0.000 0.267 134 T C 1.639 176.270 174.700 -0.115 0.000 1.036 134 T CA 1.680 63.691 62.100 -0.148 0.000 1.148 134 T CB -0.588 68.112 68.868 -0.280 0.000 0.863 134 T HN 0.536 nan 8.240 nan 0.000 0.436 135 H N 0.449 119.539 119.070 0.034 0.000 2.389 135 H HA 0.136 4.685 4.556 -0.010 0.000 0.299 135 H C 2.408 177.759 175.328 0.037 0.000 1.081 135 H CA 0.632 56.701 56.048 0.035 0.000 1.345 135 H CB -0.614 29.174 29.762 0.042 0.000 1.393 135 H HN 0.239 nan 8.280 nan 0.000 0.520 136 L N 0.569 121.895 121.223 0.171 0.000 1.994 136 L HA -0.189 4.142 4.340 -0.014 0.000 0.208 136 L C 2.398 179.315 176.870 0.078 0.000 1.071 136 L CA 1.158 56.075 54.840 0.128 0.000 0.745 136 L CB -0.422 41.731 42.059 0.158 0.000 0.892 136 L HN 0.209 nan 8.230 nan 0.000 0.431 137 L N -0.840 120.417 121.223 0.056 0.000 2.127 137 L HA -0.260 4.072 4.340 -0.014 0.000 0.211 137 L C 2.731 179.617 176.870 0.027 0.000 1.089 137 L CA 0.997 55.855 54.840 0.029 0.000 0.757 137 L CB -0.580 41.485 42.059 0.010 0.000 0.899 137 L HN 0.400 nan 8.230 nan 0.000 0.434 138 Q N -0.112 119.712 119.800 0.041 0.000 2.124 138 Q HA -0.179 4.153 4.340 -0.014 0.000 0.202 138 Q C 2.299 178.320 176.000 0.035 0.000 0.977 138 Q CA 1.412 57.242 55.803 0.045 0.000 0.850 138 Q CB -0.241 28.547 28.738 0.083 0.000 0.901 138 Q HN 0.523 nan 8.270 nan 0.000 0.429 139 L N 0.041 121.286 121.223 0.038 0.000 2.027 139 L HA -0.166 4.166 4.340 -0.014 0.000 0.206 139 L C 2.208 179.073 176.870 -0.009 0.000 1.074 139 L CA 1.046 55.890 54.840 0.007 0.000 0.745 139 L CB -0.280 41.782 42.059 0.006 0.000 0.898 139 L HN 0.207 nan 8.230 nan 0.000 0.433 140 I N 0.029 120.599 120.570 -0.000 0.000 2.163 140 I HA -0.368 3.794 4.170 -0.014 0.000 0.243 140 I C 2.622 178.730 176.117 -0.016 0.000 1.085 140 I CA 1.493 62.784 61.300 -0.014 0.000 1.347 140 I CB -0.405 37.592 38.000 -0.005 0.000 1.044 140 I HN 0.289 nan 8.210 nan 0.000 0.408 141 K N 0.708 121.106 120.400 -0.004 0.000 2.097 141 K HA -0.176 4.136 4.320 -0.014 0.000 0.206 141 K C 2.059 178.658 176.600 -0.002 0.000 1.049 141 K CA 1.893 58.179 56.287 -0.002 0.000 0.933 141 K CB -0.079 32.425 32.500 0.006 0.000 0.717 141 K HN 0.226 nan 8.250 nan 0.000 0.442 142 T N 1.776 116.329 114.554 -0.001 0.000 2.746 142 T HA -0.110 4.232 4.350 -0.014 0.000 0.267 142 T C 1.798 176.493 174.700 -0.009 0.000 1.039 142 T CA 1.351 63.452 62.100 0.001 0.000 1.142 142 T CB -0.117 68.750 68.868 -0.002 0.000 0.866 142 T HN 0.148 nan 8.240 nan 0.000 0.444 143 L N 0.584 121.788 121.223 -0.032 0.000 1.994 143 L HA -0.086 4.246 4.340 -0.014 0.000 0.208 143 L C 2.696 179.532 176.870 -0.058 0.000 1.071 143 L CA 0.984 55.787 54.840 -0.061 0.000 0.745 143 L CB -0.709 41.294 42.059 -0.093 0.000 0.892 143 L HN 0.120 nan 8.230 nan 0.000 0.431 144 V N -0.386 119.500 119.914 -0.047 0.000 2.332 144 V HA -0.256 3.855 4.120 -0.014 0.000 0.248 144 V C 2.547 178.632 176.094 -0.016 0.000 1.055 144 V CA 1.656 63.933 62.300 -0.038 0.000 1.038 144 V CB -0.524 31.281 31.823 -0.029 0.000 0.651 144 V HN 0.443 nan 8.190 nan 0.000 0.450 145 E N 0.031 120.229 120.200 -0.003 0.000 2.072 145 E HA -0.202 4.140 4.350 -0.014 0.000 0.191 145 E C 2.318 178.936 176.600 0.030 0.000 0.985 145 E CA 1.130 57.539 56.400 0.014 0.000 0.801 145 E CB -0.280 29.431 29.700 0.019 0.000 0.750 145 E HN 0.564 nan 8.360 nan 0.000 0.452 146 R N 0.818 121.338 120.500 0.034 0.000 2.115 146 R HA -0.029 4.303 4.340 -0.014 0.000 0.230 146 R C 2.173 178.519 176.300 0.077 0.000 1.111 146 R CA 1.237 57.380 56.100 0.073 0.000 0.976 146 R CB -0.138 30.219 30.300 0.096 0.000 0.870 146 R HN 0.116 nan 8.270 nan 0.000 0.445 147 A N 0.594 123.423 122.820 0.014 0.000 1.933 147 A HA -0.057 4.255 4.320 -0.014 0.000 0.218 147 A C 2.343 179.948 177.584 0.036 0.000 1.175 147 A CA 1.532 53.566 52.037 -0.006 0.000 0.628 147 A CB -0.787 18.174 19.000 -0.067 0.000 0.814 147 A HN 0.516 nan 8.150 nan 0.000 0.444 148 A N -0.101 122.737 122.820 0.029 0.000 1.930 148 A HA -0.041 4.271 4.320 -0.014 0.000 0.217 148 A C 2.099 179.714 177.584 0.052 0.000 1.175 148 A CA 1.483 53.540 52.037 0.034 0.000 0.627 148 A CB -0.537 18.477 19.000 0.024 0.000 0.815 148 A HN 0.498 nan 8.150 nan 0.000 0.443 149 I N -0.559 120.050 120.570 0.064 0.000 2.353 149 I HA -0.157 4.005 4.170 -0.014 0.000 0.248 149 I C 1.271 177.446 176.117 0.095 0.000 1.119 149 I CA 1.126 62.469 61.300 0.073 0.000 1.417 149 I CB -0.244 37.800 38.000 0.074 0.000 1.078 149 I HN 0.363 nan 8.210 nan 0.000 0.421 150 E N 0.743 121.027 120.200 0.140 0.000 2.411 150 E HA 0.123 4.465 4.350 -0.014 0.000 0.204 150 E C 1.570 178.285 176.600 0.191 0.000 1.059 150 E CA -0.147 56.366 56.400 0.188 0.000 1.112 150 E CB 0.345 30.241 29.700 0.328 0.000 1.168 150 E HN 0.459 nan 8.360 nan 0.000 0.445 151 I N 1.115 121.759 120.570 0.124 0.000 2.530 151 I HA -0.242 3.920 4.170 -0.014 0.000 0.257 151 I C 0.833 177.009 176.117 0.098 0.000 1.179 151 I CA 1.241 62.602 61.300 0.102 0.000 1.440 151 I CB 0.319 38.358 38.000 0.066 0.000 1.087 151 I HN 0.043 nan 8.210 nan 0.000 0.440 152 D N 0.176 120.629 120.400 0.089 0.000 2.349 152 D HA 0.082 4.714 4.640 -0.014 0.000 0.215 152 D C 0.558 176.899 176.300 0.068 0.000 1.016 152 D CA 0.303 54.346 54.000 0.071 0.000 0.870 152 D CB 0.162 40.994 40.800 0.053 0.000 0.917 152 D HN 0.098 nan 8.370 nan 0.000 0.524 153 V N 1.908 121.876 119.914 0.091 0.000 2.555 153 V HA 0.151 4.262 4.120 -0.014 0.000 0.286 153 V C 0.593 176.728 176.094 0.068 0.000 1.044 153 V CA -0.085 62.245 62.300 0.050 0.000 1.026 153 V CB 1.155 32.990 31.823 0.021 0.000 0.981 153 V HN -0.065 nan 8.190 nan 0.000 0.480 154 I N 5.956 126.518 120.570 -0.014 0.000 2.569 154 I HA 0.694 4.856 4.170 -0.014 0.000 0.296 154 I C -0.311 175.711 176.117 -0.158 0.000 1.028 154 I CA -0.488 60.794 61.300 -0.030 0.000 1.082 154 I CB 1.794 39.793 38.000 -0.002 0.000 1.264 154 I HN 0.620 nan 8.210 nan 0.000 0.429 155 L N 3.963 125.080 121.223 -0.177 0.000 2.654 155 L HA 0.796 5.128 4.340 -0.014 0.000 0.257 155 L C -3.041 173.662 176.870 -0.278 0.000 1.093 155 L CA -2.150 52.484 54.840 -0.343 0.000 0.903 155 L CB 1.937 43.665 42.059 -0.552 0.000 1.520 155 L HN 0.141 nan 8.230 nan 0.000 0.402 156 P HA 0.304 nan 4.420 nan 0.000 0.275 156 P C -0.613 176.460 177.300 -0.378 0.000 1.227 156 P CA 0.060 62.948 63.100 -0.353 0.000 0.781 156 P CB 1.178 32.624 31.700 -0.422 0.000 0.906 157 G N 1.890 110.503 108.800 -0.311 0.000 2.367 157 G HA2 0.488 4.439 3.960 -0.014 0.000 0.314 157 G HA3 0.488 4.439 3.960 -0.014 0.000 0.314 157 G C -1.489 173.232 174.900 -0.299 0.000 1.130 157 G CA -0.193 44.816 45.100 -0.152 0.000 0.864 157 G HN 0.328 nan 8.290 nan 0.000 0.486 158 Y N -0.054 120.331 120.300 0.140 0.000 2.420 158 Y HA 0.616 5.157 4.550 -0.014 0.000 0.334 158 Y C 0.657 176.605 175.900 0.080 0.000 1.094 158 Y CA -0.453 57.736 58.100 0.148 0.000 1.126 158 Y CB 2.894 41.493 38.460 0.231 0.000 1.217 158 Y HN 0.414 nan 8.280 nan 0.000 0.462 159 T N 3.283 117.959 114.554 0.202 0.000 3.011 159 T HA 0.241 4.583 4.350 -0.014 0.000 0.303 159 T C -0.877 173.860 174.700 0.061 0.000 0.997 159 T CA -0.805 61.295 62.100 -0.001 0.000 1.007 159 T CB 0.336 69.192 68.868 -0.020 0.000 1.017 159 T HN 0.830 nan 8.240 nan 0.000 0.443 160 H N 1.935 121.096 119.070 0.150 0.000 2.899 160 H HA -0.143 4.405 4.556 -0.013 0.000 0.282 160 H C 0.816 176.241 175.328 0.163 0.000 1.198 160 H CA 0.646 56.770 56.048 0.127 0.000 1.140 160 H CB -1.228 28.598 29.762 0.106 0.000 1.317 160 H HN 0.687 nan 8.280 nan 0.000 0.375 161 L N -1.199 120.187 121.223 0.272 0.000 3.843 161 L HA -0.274 4.058 4.340 -0.014 0.000 0.411 161 L C -0.119 177.019 176.870 0.447 0.000 1.205 161 L CA 1.577 56.594 54.840 0.296 0.000 0.945 161 L CB -0.363 41.791 42.059 0.158 0.000 1.929 161 L HN 0.431 nan 8.230 nan 0.000 0.934 162 Q N 0.331 120.426 119.800 0.493 0.000 2.365 162 Q HA 0.401 4.733 4.340 -0.014 0.000 0.269 162 Q C -0.062 176.120 176.000 0.303 0.000 1.061 162 Q CA -0.824 55.215 55.803 0.394 0.000 0.816 162 Q CB 1.690 30.576 28.738 0.247 0.000 1.325 162 Q HN 0.261 nan 8.270 nan 0.000 0.446 163 K N 0.983 121.465 120.400 0.136 0.000 2.453 163 K HA 0.089 4.400 4.320 -0.014 0.000 0.280 163 K C 0.451 177.007 176.600 -0.072 0.000 1.045 163 K CA 0.282 56.459 56.287 -0.185 0.000 1.059 163 K CB 0.453 32.890 32.500 -0.106 0.000 0.901 163 K HN 0.675 nan 8.250 nan 0.000 0.475 164 A N 3.985 126.733 122.820 -0.120 0.000 1.969 164 A HA 0.009 4.321 4.320 -0.014 0.000 0.205 164 A C 0.047 177.627 177.584 -0.006 0.000 1.364 164 A CA 0.588 52.617 52.037 -0.014 0.000 0.756 164 A CB 0.292 19.297 19.000 0.008 0.000 0.988 164 A HN 0.801 nan 8.150 nan 0.000 0.490 165 Q N -1.503 118.267 119.800 -0.051 0.000 2.617 165 Q HA 0.407 4.739 4.340 -0.014 0.000 0.270 165 Q C -3.234 172.747 176.000 -0.031 0.000 0.967 165 Q CA -2.030 53.774 55.803 0.001 0.000 0.887 165 Q CB 0.917 29.678 28.738 0.039 0.000 1.516 165 Q HN -0.023 nan 8.270 nan 0.000 0.395 166 P HA 0.107 nan 4.420 nan 0.000 0.264 166 P C -0.708 176.590 177.300 -0.004 0.000 1.179 166 P CA 0.504 63.627 63.100 0.039 0.000 0.763 166 P CB 0.257 32.090 31.700 0.220 0.000 0.806 167 I N -1.655 118.901 120.570 -0.023 0.000 3.093 167 I HA 0.565 4.726 4.170 -0.014 0.000 0.308 167 I C -0.951 175.185 176.117 0.032 0.000 1.303 167 I CA -1.645 59.646 61.300 -0.016 0.000 0.975 167 I CB 2.398 40.381 38.000 -0.028 0.000 1.286 167 I HN 0.021 nan 8.210 nan 0.000 0.459 168 R N 2.259 122.795 120.500 0.060 0.000 2.297 168 R HA 0.152 4.484 4.340 -0.014 0.000 0.308 168 R C 0.596 177.006 176.300 0.184 0.000 1.029 168 R CA -0.483 55.682 56.100 0.109 0.000 0.929 168 R CB 1.244 31.599 30.300 0.093 0.000 1.046 168 R HN 0.891 nan 8.270 nan 0.000 0.461 169 W N 3.364 124.670 121.300 0.010 0.000 2.313 169 W HA -0.275 4.378 4.660 -0.012 0.000 0.293 169 W C 0.460 177.083 176.519 0.174 0.000 1.216 169 W CA 1.757 59.140 57.345 0.063 0.000 1.223 169 W CB 0.117 29.581 29.460 0.007 0.000 1.138 169 W HN 0.496 nan 8.180 nan 0.000 0.535 170 S N 0.342 116.081 115.700 0.065 0.000 2.428 170 S HA -0.248 4.214 4.470 -0.014 0.000 0.230 170 S C 1.506 176.052 174.600 -0.090 0.000 1.014 170 S CA 1.618 59.764 58.200 -0.089 0.000 0.957 170 S CB -0.395 62.809 63.200 0.007 0.000 0.784 170 S HN 0.313 nan 8.310 nan 0.000 0.499 171 Q N 0.999 120.792 119.800 -0.011 0.000 2.124 171 Q HA -0.064 4.268 4.340 -0.014 0.000 0.202 171 Q C 1.688 177.655 176.000 -0.056 0.000 0.977 171 Q CA 1.396 57.181 55.803 -0.029 0.000 0.850 171 Q CB -0.522 28.216 28.738 -0.000 0.000 0.901 171 Q HN 0.545 nan 8.270 nan 0.000 0.429 172 F N -0.055 119.803 119.950 -0.153 0.000 2.084 172 F HA -0.103 4.417 4.527 -0.012 0.000 0.296 172 F C 1.525 177.182 175.800 -0.240 0.000 1.111 172 F CA 1.433 59.334 58.000 -0.165 0.000 1.224 172 F CB -0.398 38.554 39.000 -0.079 0.000 0.991 172 F HN 0.111 nan 8.300 nan 0.000 0.471 173 L N 0.129 121.027 121.223 -0.541 0.000 2.079 173 L HA -0.251 4.081 4.340 -0.014 0.000 0.210 173 L C 2.511 179.152 176.870 -0.382 0.000 1.081 173 L CA 1.235 55.735 54.840 -0.568 0.000 0.752 173 L CB -0.805 40.963 42.059 -0.486 0.000 0.896 173 L HN 0.279 nan 8.230 nan 0.000 0.433 174 L N -0.592 120.456 121.223 -0.292 0.000 2.141 174 L HA -0.150 4.181 4.340 -0.014 0.000 0.209 174 L C 2.862 179.581 176.870 -0.251 0.000 1.094 174 L CA 1.266 55.978 54.840 -0.214 0.000 0.763 174 L CB -0.577 41.395 42.059 -0.144 0.000 0.908 174 L HN 0.401 nan 8.230 nan 0.000 0.437 175 S N -1.488 114.003 115.700 -0.348 0.000 2.399 175 S HA -0.212 4.250 4.470 -0.014 0.000 0.231 175 S C 1.904 176.224 174.600 -0.467 0.000 1.022 175 S CA 0.892 58.857 58.200 -0.393 0.000 0.983 175 S CB -0.527 62.400 63.200 -0.455 0.000 0.803 175 S HN 0.454 nan 8.310 nan 0.000 0.480 176 H N 1.757 120.595 119.070 -0.387 0.000 2.333 176 H HA 0.265 4.812 4.556 -0.014 0.000 0.302 176 H C 2.750 177.906 175.328 -0.286 0.000 1.075 176 H CA 1.259 57.087 56.048 -0.367 0.000 1.348 176 H CB -0.926 28.581 29.762 -0.425 0.000 1.393 176 H HN 0.574 nan 8.280 nan 0.000 0.509 177 A N 0.903 123.645 122.820 -0.131 0.000 1.908 177 A HA -0.144 4.168 4.320 -0.014 0.000 0.218 177 A C 2.839 180.356 177.584 -0.111 0.000 1.181 177 A CA 1.828 53.800 52.037 -0.107 0.000 0.627 177 A CB -0.971 17.967 19.000 -0.104 0.000 0.818 177 A HN 0.202 nan 8.150 nan 0.000 0.445 178 V N -0.191 119.639 119.914 -0.140 0.000 2.287 178 V HA -0.283 3.829 4.120 -0.014 0.000 0.248 178 V C 3.080 179.089 176.094 -0.141 0.000 1.053 178 V CA 2.099 64.326 62.300 -0.123 0.000 1.027 178 V CB -1.290 30.454 31.823 -0.131 0.000 0.646 178 V HN 0.643 nan 8.190 nan 0.000 0.447 179 A N -0.397 122.277 122.820 -0.244 0.000 1.908 179 A HA -0.177 4.135 4.320 -0.014 0.000 0.218 179 A C 2.199 179.624 177.584 -0.264 0.000 1.181 179 A CA 1.861 53.655 52.037 -0.406 0.000 0.627 179 A CB -0.597 17.904 19.000 -0.831 0.000 0.818 179 A HN 0.513 nan 8.150 nan 0.000 0.445 180 L N -0.847 120.278 121.223 -0.163 0.000 2.191 180 L HA -0.143 4.189 4.340 -0.014 0.000 0.212 180 L C 2.652 179.553 176.870 0.051 0.000 1.103 180 L CA 1.533 56.378 54.840 0.009 0.000 0.769 180 L CB -0.683 41.372 42.059 -0.007 0.000 0.908 180 L HN 0.347 nan 8.230 nan 0.000 0.438 181 T N -0.748 113.809 114.554 0.005 0.000 2.821 181 T HA -0.119 4.223 4.350 -0.014 0.000 0.267 181 T C 2.012 176.743 174.700 0.051 0.000 1.046 181 T CA 1.017 63.130 62.100 0.021 0.000 1.139 181 T CB -0.044 68.818 68.868 -0.010 0.000 0.871 181 T HN 0.301 nan 8.240 nan 0.000 0.454 182 R N 0.893 121.428 120.500 0.059 0.000 2.148 182 R HA -0.032 4.299 4.340 -0.014 0.000 0.223 182 R C 1.984 178.376 176.300 0.153 0.000 1.088 182 R CA 1.104 57.257 56.100 0.089 0.000 0.985 182 R CB -0.150 30.205 30.300 0.091 0.000 0.880 182 R HN 0.398 nan 8.270 nan 0.000 0.451 183 D N 0.039 120.565 120.400 0.211 0.000 2.117 183 D HA -0.130 4.502 4.640 -0.014 0.000 0.198 183 D C 1.796 178.300 176.300 0.340 0.000 0.982 183 D CA 1.239 55.429 54.000 0.317 0.000 0.828 183 D CB -0.228 40.749 40.800 0.295 0.000 0.967 183 D HN 0.042 nan 8.370 nan 0.000 0.464 184 S N 0.218 116.043 115.700 0.209 0.000 2.419 184 S HA -0.187 4.274 4.470 -0.014 0.000 0.233 184 S C 1.777 176.403 174.600 0.044 0.000 1.016 184 S CA 1.171 59.442 58.200 0.119 0.000 0.974 184 S CB -0.007 63.240 63.200 0.079 0.000 0.786 184 S HN 0.214 nan 8.310 nan 0.000 0.492 185 E N -0.010 120.225 120.200 0.059 0.000 2.158 185 E HA -0.004 4.338 4.350 -0.014 0.000 0.191 185 E C 2.362 178.973 176.600 0.018 0.000 0.982 185 E CA 0.405 56.822 56.400 0.028 0.000 0.823 185 E CB 0.047 29.769 29.700 0.036 0.000 0.766 185 E HN 0.450 nan 8.360 nan 0.000 0.468 186 R N 0.260 120.795 120.500 0.059 0.000 2.090 186 R HA -0.047 4.285 4.340 -0.014 0.000 0.228 186 R C 2.566 178.793 176.300 -0.122 0.000 1.110 186 R CA 0.723 56.855 56.100 0.053 0.000 0.973 186 R CB -0.236 30.188 30.300 0.206 0.000 0.869 186 R HN 0.252 nan 8.270 nan 0.000 0.440 187 L N 0.169 121.197 121.223 -0.324 0.000 1.989 187 L HA -0.129 4.202 4.340 -0.014 0.000 0.211 187 L C 2.231 178.933 176.870 -0.280 0.000 1.071 187 L CA 2.016 56.464 54.840 -0.654 0.000 0.749 187 L CB -0.809 40.881 42.059 -0.615 0.000 0.890 187 L HN 0.264 nan 8.230 nan 0.000 0.431 188 G N -0.840 107.868 108.800 -0.153 0.000 2.476 188 G HA2 -0.301 3.651 3.960 -0.014 0.000 0.218 188 G HA3 -0.301 3.651 3.960 -0.014 0.000 0.218 188 G C 1.309 176.172 174.900 -0.062 0.000 1.164 188 G CA 1.017 46.064 45.100 -0.087 0.000 0.768 188 G HN 0.571 nan 8.290 nan 0.000 0.560 189 E N -0.212 119.960 120.200 -0.046 0.000 2.110 189 E HA -0.077 4.265 4.350 -0.014 0.000 0.193 189 E C 2.698 179.293 176.600 -0.009 0.000 0.988 189 E CA 0.908 57.298 56.400 -0.016 0.000 0.804 189 E CB -0.119 29.583 29.700 0.003 0.000 0.745 189 E HN 0.324 nan 8.360 nan 0.000 0.458 190 V N 1.435 121.332 119.914 -0.029 0.000 2.323 190 V HA -0.243 3.869 4.120 -0.014 0.000 0.244 190 V C 2.361 178.458 176.094 0.007 0.000 1.041 190 V CA 1.732 64.039 62.300 0.012 0.000 1.025 190 V CB -0.365 31.470 31.823 0.019 0.000 0.656 190 V HN 0.184 nan 8.190 nan 0.000 0.451 191 K N 0.428 120.801 120.400 -0.045 0.000 2.074 191 K HA -0.312 4.000 4.320 -0.014 0.000 0.209 191 K C 2.203 178.795 176.600 -0.014 0.000 1.048 191 K CA 2.064 58.326 56.287 -0.043 0.000 0.926 191 K CB -0.151 32.304 32.500 -0.074 0.000 0.713 191 K HN 0.274 nan 8.250 nan 0.000 0.444 192 K N 1.141 121.534 120.400 -0.012 0.000 2.020 192 K HA -0.165 4.147 4.320 -0.014 0.000 0.212 192 K C 1.948 178.556 176.600 0.013 0.000 1.050 192 K CA 1.839 58.126 56.287 0.001 0.000 0.929 192 K CB -0.147 32.352 32.500 -0.001 0.000 0.714 192 K HN 0.143 nan 8.250 nan 0.000 0.443 193 R N -0.339 120.173 120.500 0.021 0.000 2.189 193 R HA 0.097 4.429 4.340 -0.014 0.000 0.218 193 R C 2.295 178.600 176.300 0.008 0.000 1.074 193 R CA 1.125 57.240 56.100 0.024 0.000 0.991 193 R CB -0.156 30.173 30.300 0.050 0.000 0.883 193 R HN 0.289 nan 8.270 nan 0.000 0.457 194 I N 0.653 121.234 120.570 0.018 0.000 2.500 194 I HA -0.180 3.982 4.170 -0.014 0.000 0.252 194 I C 1.037 177.171 176.117 0.029 0.000 1.142 194 I CA 0.627 61.915 61.300 -0.021 0.000 1.451 194 I CB -0.070 37.935 38.000 0.008 0.000 1.093 194 I HN 0.057 nan 8.210 nan 0.000 0.430 195 N N 1.098 119.843 118.700 0.075 0.000 2.683 195 N HA 0.047 4.779 4.740 -0.014 0.000 0.256 195 N C -0.922 174.733 175.510 0.242 0.000 1.270 195 N CA 0.218 53.387 53.050 0.198 0.000 0.954 195 N CB -0.129 38.408 38.487 0.084 0.000 1.289 195 N HN -0.092 nan 8.380 nan 0.000 0.508 196 V N 1.320 121.265 119.914 0.052 0.000 2.656 196 V HA 0.323 4.435 4.120 -0.014 0.000 0.307 196 V C -0.236 175.410 176.094 -0.747 0.000 1.051 196 V CA -1.215 60.972 62.300 -0.188 0.000 0.893 196 V CB 1.834 33.568 31.823 -0.148 0.000 0.999 196 V HN 0.127 nan 8.190 nan 0.000 0.426 197 L N 8.717 129.421 121.223 -0.864 0.000 2.418 197 L HA 0.447 4.779 4.340 -0.014 0.000 0.274 197 L C -1.643 174.884 176.870 -0.572 0.000 1.135 197 L CA -0.324 53.850 54.840 -1.111 0.000 0.870 197 L CB 1.047 42.779 42.059 -0.546 0.000 1.154 197 L HN 0.451 nan 8.230 nan 0.000 0.462 198 P HA 0.032 nan 4.420 nan 0.000 0.269 198 P C 0.514 177.704 177.300 -0.183 0.000 1.231 198 P CA -0.025 62.907 63.100 -0.281 0.000 0.865 198 P CB 0.588 32.130 31.700 -0.264 0.000 1.243 199 L N 0.620 121.736 121.223 -0.178 0.000 2.506 199 L HA 0.161 4.493 4.340 -0.014 0.000 0.281 199 L C 1.403 178.245 176.870 -0.046 0.000 1.228 199 L CA 1.879 56.663 54.840 -0.093 0.000 0.850 199 L CB -0.373 41.668 42.059 -0.030 0.000 1.110 199 L HN 0.357 nan 8.230 nan 0.000 0.496 200 G N 2.088 110.876 108.800 -0.020 0.000 2.141 200 G HA2 -0.250 3.702 3.960 -0.014 0.000 0.231 200 G HA3 -0.250 3.702 3.960 -0.014 0.000 0.231 200 G C 0.720 175.621 174.900 0.002 0.000 0.984 200 G CA 0.381 45.505 45.100 0.040 0.000 0.660 200 G HN 0.633 nan 8.290 nan 0.000 0.525 201 S N -0.085 115.594 115.700 -0.034 0.000 2.517 201 S HA 0.466 4.928 4.470 -0.014 0.000 0.214 201 S C 1.912 176.494 174.600 -0.031 0.000 0.991 201 S CA 1.232 59.413 58.200 -0.032 0.000 0.906 201 S CB 0.261 63.434 63.200 -0.045 0.000 0.789 201 S HN 2.223 nan 8.310 nan 0.000 0.513 202 G N 1.758 110.530 108.800 -0.045 0.000 2.575 202 G HA2 -0.206 3.746 3.960 -0.014 0.000 0.267 202 G HA3 -0.206 3.746 3.960 -0.014 0.000 0.267 202 G C 0.816 175.675 174.900 -0.069 0.000 1.264 202 G CA -0.037 45.033 45.100 -0.050 0.000 0.935 202 G HN 0.704 nan 8.290 nan 0.000 0.568 203 A N -1.379 121.406 122.820 -0.059 0.000 2.123 203 A HA 0.614 4.926 4.320 -0.014 0.000 0.214 203 A C 2.029 179.589 177.584 -0.040 0.000 1.152 203 A CA 2.373 54.364 52.037 -0.076 0.000 0.728 203 A CB -0.002 18.960 19.000 -0.064 0.000 0.814 203 A HN 1.817 nan 8.150 nan 0.000 0.464 204 L N -4.686 116.527 121.223 -0.016 0.000 1.537 204 L HA 0.236 4.568 4.340 -0.014 0.000 0.162 204 L C 1.556 178.430 176.870 0.006 0.000 1.295 204 L CA 0.851 55.695 54.840 0.006 0.000 1.245 204 L CB -0.705 41.366 42.059 0.019 0.000 2.567 204 L HN 0.076 nan 8.230 nan 0.000 0.494 205 A N 0.673 123.496 122.820 0.004 0.000 2.275 205 A HA 0.634 4.946 4.320 -0.014 0.000 0.212 205 A C 0.997 178.583 177.584 0.004 0.000 1.201 205 A CA 0.920 52.960 52.037 0.006 0.000 0.843 205 A CB -0.279 18.725 19.000 0.007 0.000 0.873 205 A HN 0.930 nan 8.150 nan 0.000 0.492 206 G N -0.558 108.242 108.800 0.000 0.000 2.373 206 G HA2 -0.024 3.928 3.960 -0.014 0.000 0.634 206 G HA3 -0.024 3.928 3.960 -0.014 0.000 0.634 206 G C -0.699 174.208 174.900 0.011 0.000 1.267 206 G CA -0.347 44.754 45.100 0.002 0.000 1.008 206 G HN 0.576 nan 8.290 nan 0.000 0.497 207 N N 1.108 119.822 118.700 0.023 0.000 2.514 207 N HA 0.626 5.358 4.740 -0.014 0.000 0.277 207 N C -0.446 175.087 175.510 0.038 0.000 1.126 207 N CA -1.030 52.048 53.050 0.047 0.000 0.978 207 N CB 1.530 40.063 38.487 0.077 0.000 1.106 207 N HN 0.350 nan 8.380 nan 0.000 0.461 208 P HA 0.103 nan 4.420 nan 0.000 0.257 208 P C -0.107 177.210 177.300 0.029 0.000 1.241 208 P CA 0.356 63.475 63.100 0.031 0.000 0.816 208 P CB 0.516 32.234 31.700 0.029 0.000 1.150 209 L N 0.481 121.727 121.223 0.037 0.000 2.928 209 L HA 0.200 4.531 4.340 -0.014 0.000 0.246 209 L C 0.487 177.363 176.870 0.010 0.000 1.239 209 L CA 0.308 55.162 54.840 0.022 0.000 1.035 209 L CB -1.462 40.610 42.059 0.022 0.000 1.360 209 L HN 0.032 nan 8.230 nan 0.000 0.529 210 D N 0.590 120.998 120.400 0.014 0.000 2.882 210 D HA -0.275 4.357 4.640 -0.014 0.000 0.229 210 D C 0.498 176.800 176.300 0.002 0.000 1.167 210 D CA 0.379 54.383 54.000 0.007 0.000 0.759 210 D CB -0.718 40.083 40.800 0.001 0.000 1.088 210 D HN 0.212 nan 8.370 nan 0.000 0.425 211 I N 0.898 121.474 120.570 0.009 0.000 2.993 211 I HA -0.054 4.107 4.170 -0.014 0.000 0.301 211 I C 0.569 176.687 176.117 0.001 0.000 1.229 211 I CA 0.438 61.734 61.300 -0.006 0.000 1.435 211 I CB 0.464 38.488 38.000 0.041 0.000 1.328 211 I HN 0.099 nan 8.210 nan 0.000 0.584 212 D N 6.172 126.564 120.400 -0.013 0.000 2.422 212 D HA 0.175 4.807 4.640 -0.014 0.000 0.227 212 D C 0.949 177.258 176.300 0.014 0.000 1.190 212 D CA 0.002 54.001 54.000 -0.002 0.000 0.905 212 D CB 0.386 41.179 40.800 -0.010 0.000 1.034 212 D HN 0.434 nan 8.370 nan 0.000 0.507 213 R N 2.366 122.878 120.500 0.020 0.000 2.189 213 R HA -0.113 4.218 4.340 -0.014 0.000 0.223 213 R C 1.313 177.627 176.300 0.024 0.000 1.092 213 R CA 0.691 56.807 56.100 0.026 0.000 0.989 213 R CB 0.143 30.450 30.300 0.011 0.000 0.876 213 R HN 0.396 nan 8.270 nan 0.000 0.457 214 E N 1.397 121.608 120.200 0.018 0.000 2.152 214 E HA -0.136 4.206 4.350 -0.014 0.000 0.192 214 E C 1.863 178.480 176.600 0.028 0.000 0.983 214 E CA 1.015 57.427 56.400 0.020 0.000 0.818 214 E CB -0.046 29.661 29.700 0.012 0.000 0.758 214 E HN 0.223 nan 8.360 nan 0.000 0.467 215 M N -0.395 119.219 119.600 0.023 0.000 2.175 215 M HA -0.080 4.392 4.480 -0.014 0.000 0.264 215 M C 1.673 177.999 176.300 0.043 0.000 1.063 215 M CA 1.232 56.546 55.300 0.023 0.000 1.119 215 M CB -0.006 32.598 32.600 0.007 0.000 1.377 215 M HN 0.202 nan 8.290 nan 0.000 0.415 216 L N -0.313 120.947 121.223 0.061 0.000 2.017 216 L HA -0.211 4.121 4.340 -0.014 0.000 0.208 216 L C 2.792 179.741 176.870 0.131 0.000 1.073 216 L CA 1.468 56.368 54.840 0.100 0.000 0.745 216 L CB -0.926 41.205 42.059 0.120 0.000 0.894 216 L HN 0.382 nan 8.230 nan 0.000 0.432 217 R N -0.061 120.510 120.500 0.119 0.000 2.103 217 R HA -0.237 4.095 4.340 -0.014 0.000 0.234 217 R C 2.584 178.962 176.300 0.129 0.000 1.132 217 R CA 2.239 58.439 56.100 0.166 0.000 0.925 217 R CB -0.533 29.827 30.300 0.100 0.000 0.842 217 R HN 0.233 nan 8.270 nan 0.000 0.430 218 S N 0.193 115.936 115.700 0.071 0.000 2.365 218 S HA -0.167 4.294 4.470 -0.014 0.000 0.225 218 S C 1.774 176.389 174.600 0.026 0.000 1.039 218 S CA 1.590 59.814 58.200 0.039 0.000 1.033 218 S CB -0.220 62.995 63.200 0.024 0.000 0.887 218 S HN 0.388 nan 8.310 nan 0.000 0.447 219 E N 0.690 120.912 120.200 0.037 0.000 2.110 219 E HA -0.024 4.318 4.350 -0.014 0.000 0.193 219 E C 1.676 178.279 176.600 0.005 0.000 0.988 219 E CA 0.809 57.222 56.400 0.023 0.000 0.804 219 E CB -0.286 29.435 29.700 0.036 0.000 0.745 219 E HN 0.546 nan 8.360 nan 0.000 0.458 220 L N 1.063 122.305 121.223 0.032 0.000 2.629 220 L HA 0.055 4.387 4.340 -0.014 0.000 0.230 220 L C 0.080 176.793 176.870 -0.261 0.000 1.151 220 L CA 0.014 54.815 54.840 -0.064 0.000 0.924 220 L CB -0.089 42.030 42.059 0.100 0.000 1.137 220 L HN -0.035 nan 8.230 nan 0.000 0.457 221 E N -1.466 118.655 120.200 -0.131 0.000 3.065 221 E HA -0.268 4.074 4.350 -0.014 0.000 0.277 221 E C 0.036 176.536 176.600 -0.167 0.000 1.008 221 E CA 0.835 57.147 56.400 -0.148 0.000 0.864 221 E CB -2.131 27.457 29.700 -0.187 0.000 1.439 221 E HN 0.362 nan 8.360 nan 0.000 0.445 222 F N 0.142 120.072 119.950 -0.033 0.000 2.444 222 F HA 0.218 4.735 4.527 -0.017 0.000 0.331 222 F C 1.917 177.697 175.800 -0.034 0.000 1.167 222 F CA 0.451 58.426 58.000 -0.040 0.000 1.262 222 F CB 0.561 39.535 39.000 -0.044 0.000 1.196 222 F HN -0.010 nan 8.300 nan 0.000 0.583 223 A N 0.969 123.908 122.820 0.198 0.000 1.935 223 A HA 0.142 4.454 4.320 -0.014 0.000 0.214 223 A C 0.796 178.421 177.584 0.068 0.000 1.178 223 A CA 1.276 53.367 52.037 0.090 0.000 0.640 223 A CB -0.398 18.637 19.000 0.059 0.000 0.825 223 A HN 0.675 nan 8.150 nan 0.000 0.447 224 S N -1.774 113.964 115.700 0.064 0.000 2.880 224 S HA 0.707 5.169 4.470 -0.014 0.000 0.308 224 S C -0.677 173.905 174.600 -0.029 0.000 1.195 224 S CA -0.140 58.069 58.200 0.015 0.000 0.866 224 S CB 0.572 63.771 63.200 -0.002 0.000 1.254 224 S HN 1.004 nan 8.310 nan 0.000 0.571 225 I N -0.613 119.923 120.570 -0.056 0.000 2.828 225 I HA 0.723 4.884 4.170 -0.014 0.000 0.302 225 I C -0.215 175.842 176.117 -0.100 0.000 1.101 225 I CA -0.929 60.307 61.300 -0.107 0.000 1.031 225 I CB 2.288 40.245 38.000 -0.072 0.000 1.231 225 I HN 0.841 nan 8.210 nan 0.000 0.427 226 S N 4.650 120.269 115.700 -0.135 0.000 2.558 226 S HA 0.128 4.589 4.470 -0.014 0.000 0.293 226 S C 0.830 175.394 174.600 -0.059 0.000 1.292 226 S CA -0.391 57.749 58.200 -0.100 0.000 1.063 226 S CB 0.595 63.726 63.200 -0.114 0.000 0.831 226 S HN 0.699 nan 8.310 nan 0.000 0.499 227 L N 1.343 122.541 121.223 -0.041 0.000 2.179 227 L HA 0.176 4.508 4.340 -0.014 0.000 0.208 227 L C 1.117 177.976 176.870 -0.018 0.000 1.096 227 L CA 0.718 55.544 54.840 -0.025 0.000 0.779 227 L CB -0.561 41.488 42.059 -0.016 0.000 0.922 227 L HN 0.768 nan 8.230 nan 0.000 0.443 228 N N -1.100 117.589 118.700 -0.017 0.000 2.371 228 N HA 0.090 4.821 4.740 -0.014 0.000 0.291 228 N C 0.876 176.380 175.510 -0.011 0.000 1.053 228 N CA 0.093 53.137 53.050 -0.009 0.000 0.870 228 N CB 1.456 39.942 38.487 -0.002 0.000 1.503 228 N HN -0.006 nan 8.380 nan 0.000 0.485 229 S N 3.706 119.400 115.700 -0.009 0.000 2.370 229 S HA -0.257 4.205 4.470 -0.014 0.000 0.226 229 S C 1.692 176.294 174.600 0.002 0.000 1.033 229 S CA 1.067 59.261 58.200 -0.009 0.000 1.011 229 S CB -0.370 62.826 63.200 -0.007 0.000 0.852 229 S HN 0.675 nan 8.310 nan 0.000 0.457 230 M N 1.694 121.301 119.600 0.010 0.000 2.067 230 M HA -0.111 4.361 4.480 -0.014 0.000 0.260 230 M C 2.327 178.646 176.300 0.031 0.000 1.069 230 M CA 2.237 57.551 55.300 0.023 0.000 1.117 230 M CB -0.752 31.861 32.600 0.021 0.000 1.334 230 M HN 0.463 nan 8.290 nan 0.000 0.407 231 D N 0.326 120.740 120.400 0.023 0.000 2.092 231 D HA -0.160 4.472 4.640 -0.014 0.000 0.193 231 D C 1.875 178.199 176.300 0.039 0.000 0.994 231 D CA 1.841 55.859 54.000 0.030 0.000 0.828 231 D CB 0.039 40.851 40.800 0.020 0.000 0.963 231 D HN 0.298 nan 8.370 nan 0.000 0.450 232 A N 0.026 122.855 122.820 0.015 0.000 2.024 232 A HA -0.127 4.185 4.320 -0.014 0.000 0.220 232 A C 2.132 179.734 177.584 0.029 0.000 1.164 232 A CA 1.086 53.123 52.037 -0.000 0.000 0.643 232 A CB -0.541 18.431 19.000 -0.047 0.000 0.806 232 A HN 0.395 nan 8.150 nan 0.000 0.451 233 I N -0.016 120.581 120.570 0.045 0.000 2.494 233 I HA -0.088 4.074 4.170 -0.014 0.000 0.250 233 I C 2.606 178.815 176.117 0.154 0.000 1.112 233 I CA 1.864 63.210 61.300 0.077 0.000 1.438 233 I CB -1.250 36.784 38.000 0.056 0.000 1.111 233 I HN 0.481 nan 8.210 nan 0.000 0.431 234 S N 0.619 116.395 115.700 0.127 0.000 2.470 234 S HA -0.025 4.437 4.470 -0.014 0.000 0.222 234 S C 0.755 175.408 174.600 0.089 0.000 1.024 234 S CA -0.327 57.942 58.200 0.115 0.000 0.931 234 S CB -0.537 62.706 63.200 0.071 0.000 0.791 234 S HN 0.518 nan 8.310 nan 0.000 0.513 235 E N 1.459 121.721 120.200 0.103 0.000 2.373 235 E HA 0.296 4.638 4.350 -0.014 0.000 0.267 235 E C 0.240 176.924 176.600 0.140 0.000 1.032 235 E CA -0.477 55.985 56.400 0.103 0.000 0.889 235 E CB 0.427 30.194 29.700 0.112 0.000 0.984 235 E HN -0.018 nan 8.360 nan 0.000 0.425 236 R N 2.625 123.133 120.500 0.012 0.000 2.642 236 R HA 0.119 4.450 4.340 -0.014 0.000 0.435 236 R C -0.343 175.816 176.300 -0.234 0.000 1.046 236 R CA -0.189 55.776 56.100 -0.224 0.000 1.103 236 R CB -0.005 30.147 30.300 -0.248 0.000 1.425 236 R HN 0.639 nan 8.270 nan 0.000 0.586 237 D N 0.892 121.291 120.400 -0.002 0.000 2.133 237 D HA -0.219 4.413 4.640 -0.014 0.000 0.192 237 D C 1.624 177.963 176.300 0.065 0.000 1.001 237 D CA 1.605 55.632 54.000 0.046 0.000 0.844 237 D CB -0.281 40.587 40.800 0.113 0.000 0.944 237 D HN 0.364 nan 8.370 nan 0.000 0.447 238 F N -0.198 119.785 119.950 0.055 0.000 2.202 238 F HA -0.142 4.378 4.527 -0.012 0.000 0.301 238 F C 1.988 177.865 175.800 0.128 0.000 1.082 238 F CA 0.620 58.665 58.000 0.076 0.000 1.313 238 F CB -0.879 38.149 39.000 0.047 0.000 1.024 238 F HN -0.136 nan 8.300 nan 0.000 0.495 239 V N 0.538 120.100 119.914 -0.586 0.000 2.346 239 V HA -0.195 3.916 4.120 -0.014 0.000 0.244 239 V C 2.553 178.631 176.094 -0.028 0.000 1.037 239 V CA 1.437 63.551 62.300 -0.311 0.000 1.029 239 V CB -0.418 31.106 31.823 -0.498 0.000 0.663 239 V HN 0.357 nan 8.190 nan 0.000 0.454 240 V N -0.107 119.761 119.914 -0.077 0.000 2.233 240 V HA -0.306 3.806 4.120 -0.014 0.000 0.247 240 V C 2.452 178.576 176.094 0.049 0.000 1.050 240 V CA 2.282 64.571 62.300 -0.019 0.000 1.010 240 V CB -0.681 31.125 31.823 -0.029 0.000 0.637 240 V HN 0.585 nan 8.190 nan 0.000 0.444 241 E N -0.701 119.556 120.200 0.094 0.000 2.070 241 E HA -0.288 4.054 4.350 -0.014 0.000 0.197 241 E C 2.057 178.786 176.600 0.214 0.000 1.004 241 E CA 1.961 58.444 56.400 0.139 0.000 0.805 241 E CB -0.274 29.520 29.700 0.157 0.000 0.744 241 E HN 0.612 nan 8.360 nan 0.000 0.451 242 F N 1.259 121.285 119.950 0.126 0.000 2.102 242 F HA -0.213 4.305 4.527 -0.014 0.000 0.298 242 F C 1.949 177.886 175.800 0.229 0.000 1.105 242 F CA 1.039 59.164 58.000 0.210 0.000 1.239 242 F CB -0.323 38.777 39.000 0.167 0.000 0.991 242 F HN -0.042 nan 8.300 nan 0.000 0.474 243 L N 0.247 121.396 121.223 -0.123 0.000 2.046 243 L HA -0.190 4.142 4.340 -0.014 0.000 0.208 243 L C 2.636 179.401 176.870 -0.176 0.000 1.077 243 L CA 1.877 56.565 54.840 -0.253 0.000 0.747 243 L CB -1.631 40.364 42.059 -0.106 0.000 0.896 243 L HN 0.144 nan 8.230 nan 0.000 0.432 244 S N -0.733 114.937 115.700 -0.050 0.000 2.382 244 S HA -0.202 4.260 4.470 -0.014 0.000 0.228 244 S C 1.836 176.418 174.600 -0.030 0.000 1.027 244 S CA 1.388 59.576 58.200 -0.020 0.000 0.991 244 S CB -0.519 62.699 63.200 0.031 0.000 0.823 244 S HN 0.515 nan 8.310 nan 0.000 0.469 245 F N 2.723 122.603 119.950 -0.116 0.000 2.113 245 F HA 0.038 4.562 4.527 -0.006 0.000 0.297 245 F C 2.243 177.944 175.800 -0.165 0.000 1.103 245 F CA 0.962 58.901 58.000 -0.102 0.000 1.248 245 F CB -0.892 38.086 39.000 -0.036 0.000 0.999 245 F HN 0.146 nan 8.300 nan 0.000 0.475 246 A N 0.187 122.520 122.820 -0.812 0.000 1.902 246 A HA -0.147 4.164 4.320 -0.014 0.000 0.217 246 A C 2.190 179.452 177.584 -0.537 0.000 1.181 246 A CA 2.312 53.809 52.037 -0.899 0.000 0.623 246 A CB -1.524 17.051 19.000 -0.709 0.000 0.818 246 A HN 0.493 nan 8.150 nan 0.000 0.443 247 T N 0.022 114.371 114.554 -0.342 0.000 2.777 247 T HA -0.071 4.271 4.350 -0.014 0.000 0.266 247 T C 1.838 176.384 174.700 -0.256 0.000 1.040 247 T CA 1.272 63.249 62.100 -0.204 0.000 1.141 247 T CB -0.313 68.522 68.868 -0.056 0.000 0.868 247 T HN 0.364 nan 8.240 nan 0.000 0.444 248 L N 0.656 121.701 121.223 -0.297 0.000 2.093 248 L HA -0.024 4.308 4.340 -0.014 0.000 0.208 248 L C 2.307 178.838 176.870 -0.565 0.000 1.085 248 L CA 0.972 55.586 54.840 -0.376 0.000 0.755 248 L CB -0.258 41.633 42.059 -0.280 0.000 0.904 248 L HN 0.227 nan 8.230 nan 0.000 0.435 249 L N -0.505 120.419 121.223 -0.498 0.000 2.046 249 L HA -0.223 4.109 4.340 -0.014 0.000 0.208 249 L C 2.357 179.068 176.870 -0.265 0.000 1.077 249 L CA 1.858 56.465 54.840 -0.388 0.000 0.747 249 L CB -0.508 41.229 42.059 -0.536 0.000 0.896 249 L HN 0.207 nan 8.230 nan 0.000 0.432 250 M N -0.754 118.681 119.600 -0.275 0.000 2.296 250 M HA -0.140 4.332 4.480 -0.014 0.000 0.265 250 M C 2.228 178.442 176.300 -0.143 0.000 1.064 250 M CA 1.141 56.335 55.300 -0.176 0.000 1.109 250 M CB -0.993 31.513 32.600 -0.157 0.000 1.396 250 M HN 0.259 nan 8.290 nan 0.000 0.430 251 I N -0.530 119.924 120.570 -0.194 0.000 2.142 251 I HA -0.285 3.877 4.170 -0.014 0.000 0.240 251 I C 2.307 178.398 176.117 -0.043 0.000 1.078 251 I CA 1.615 62.825 61.300 -0.150 0.000 1.343 251 I CB -1.485 36.389 38.000 -0.210 0.000 1.046 251 I HN 0.406 nan 8.210 nan 0.000 0.405 252 H N 0.384 119.406 119.070 -0.080 0.000 2.289 252 H HA -0.162 4.385 4.556 -0.015 0.000 0.296 252 H C 2.393 177.677 175.328 -0.074 0.000 1.091 252 H CA 1.081 57.098 56.048 -0.052 0.000 1.274 252 H CB -0.051 29.681 29.762 -0.049 0.000 1.364 252 H HN 0.218 nan 8.280 nan 0.000 0.490 253 L N 0.517 121.759 121.223 0.032 0.000 2.131 253 L HA -0.176 4.156 4.340 -0.014 0.000 0.210 253 L C 2.767 179.591 176.870 -0.077 0.000 1.092 253 L CA 1.255 56.062 54.840 -0.055 0.000 0.759 253 L CB -0.458 41.559 42.059 -0.070 0.000 0.903 253 L HN 0.394 nan 8.230 nan 0.000 0.435 254 S N -0.245 115.419 115.700 -0.059 0.000 2.406 254 S HA -0.224 4.237 4.470 -0.014 0.000 0.228 254 S C 1.994 176.558 174.600 -0.059 0.000 1.020 254 S CA 1.074 59.236 58.200 -0.065 0.000 0.965 254 S CB -0.183 62.977 63.200 -0.066 0.000 0.798 254 S HN 0.398 nan 8.310 nan 0.000 0.488 255 K N 0.871 121.255 120.400 -0.027 0.000 2.025 255 K HA 0.010 4.322 4.320 -0.014 0.000 0.207 255 K C 2.405 178.985 176.600 -0.035 0.000 1.049 255 K CA 1.340 57.631 56.287 0.007 0.000 0.933 255 K CB -0.329 32.224 32.500 0.088 0.000 0.714 255 K HN 0.483 nan 8.250 nan 0.000 0.438 256 M N 0.368 119.866 119.600 -0.169 0.000 2.117 256 M HA -0.134 4.337 4.480 -0.014 0.000 0.262 256 M C 2.021 178.181 176.300 -0.234 0.000 1.065 256 M CA 1.777 56.800 55.300 -0.461 0.000 1.114 256 M CB -0.115 32.067 32.600 -0.698 0.000 1.361 256 M HN 0.290 nan 8.290 nan 0.000 0.408 257 A N 0.048 122.769 122.820 -0.165 0.000 1.877 257 A HA -0.237 4.075 4.320 -0.014 0.000 0.216 257 A C 1.835 179.342 177.584 -0.129 0.000 1.186 257 A CA 2.123 54.086 52.037 -0.124 0.000 0.620 257 A CB -0.914 18.028 19.000 -0.096 0.000 0.822 257 A HN 0.654 nan 8.150 nan 0.000 0.443 258 E N 0.588 120.714 120.200 -0.124 0.000 2.070 258 E HA -0.237 4.105 4.350 -0.014 0.000 0.197 258 E C 1.475 177.932 176.600 -0.238 0.000 1.004 258 E CA 1.918 58.231 56.400 -0.144 0.000 0.805 258 E CB -0.286 29.349 29.700 -0.108 0.000 0.744 258 E HN 0.551 nan 8.360 nan 0.000 0.451 259 D N -0.285 119.962 120.400 -0.254 0.000 2.103 259 D HA -0.175 4.457 4.640 -0.014 0.000 0.190 259 D C 1.900 177.770 176.300 -0.716 0.000 0.997 259 D CA 1.144 54.826 54.000 -0.530 0.000 0.833 259 D CB -0.339 40.339 40.800 -0.203 0.000 0.961 259 D HN 0.194 nan 8.370 nan 0.000 0.447 260 L N 0.741 121.781 121.223 -0.305 0.000 2.131 260 L HA -0.086 4.246 4.340 -0.014 0.000 0.210 260 L C 2.445 179.248 176.870 -0.111 0.000 1.092 260 L CA 0.874 55.648 54.840 -0.110 0.000 0.759 260 L CB -0.704 41.362 42.059 0.013 0.000 0.903 260 L HN 0.101 nan 8.230 nan 0.000 0.435 261 I N -1.055 119.421 120.570 -0.157 0.000 2.142 261 I HA -0.328 3.834 4.170 -0.014 0.000 0.240 261 I C 2.350 178.356 176.117 -0.184 0.000 1.078 261 I CA 1.327 62.551 61.300 -0.128 0.000 1.343 261 I CB -0.169 37.759 38.000 -0.119 0.000 1.046 261 I HN 0.154 nan 8.210 nan 0.000 0.405 262 I N -0.293 120.083 120.570 -0.323 0.000 2.179 262 I HA -0.318 3.844 4.170 -0.014 0.000 0.242 262 I C 2.420 178.226 176.117 -0.519 0.000 1.088 262 I CA 1.417 62.416 61.300 -0.501 0.000 1.357 262 I CB -0.551 37.034 38.000 -0.692 0.000 1.051 262 I HN 0.195 nan 8.210 nan 0.000 0.409 263 Y N 1.048 121.077 120.300 -0.452 0.000 2.403 263 Y HA -0.160 4.382 4.550 -0.014 0.000 0.291 263 Y C 2.894 178.734 175.900 -0.101 0.000 1.143 263 Y CA 0.924 58.881 58.100 -0.238 0.000 1.257 263 Y CB -1.270 37.234 38.460 0.075 0.000 0.984 263 Y HN 0.307 nan 8.280 nan 0.000 0.550 264 S N -1.112 114.623 115.700 0.058 0.000 2.593 264 S HA 0.016 4.478 4.470 -0.014 0.000 0.217 264 S C 0.928 175.537 174.600 0.014 0.000 0.966 264 S CA -0.002 58.227 58.200 0.049 0.000 0.914 264 S CB -1.131 62.095 63.200 0.044 0.000 0.776 264 S HN 0.379 nan 8.310 nan 0.000 0.523 265 T N -0.256 114.290 114.554 -0.013 0.000 2.856 265 T HA 0.300 4.641 4.350 -0.014 0.000 0.306 265 T C 1.193 175.908 174.700 0.026 0.000 1.062 265 T CA -0.015 62.089 62.100 0.007 0.000 1.083 265 T CB 0.781 69.664 68.868 0.024 0.000 0.984 265 T HN 0.095 nan 8.240 nan 0.000 0.542 266 S N 1.200 116.910 115.700 0.017 0.000 2.368 266 S HA -0.114 4.348 4.470 -0.014 0.000 0.225 266 S C 2.015 176.609 174.600 -0.010 0.000 1.030 266 S CA 1.442 59.644 58.200 0.003 0.000 0.999 266 S CB -0.513 62.687 63.200 -0.001 0.000 0.844 266 S HN 0.844 nan 8.310 nan 0.000 0.459 267 E N 0.761 120.966 120.200 0.009 0.000 2.097 267 E HA -0.107 4.235 4.350 -0.014 0.000 0.196 267 E C 1.586 178.096 176.600 -0.150 0.000 1.000 267 E CA 1.295 57.672 56.400 -0.039 0.000 0.804 267 E CB -0.325 29.385 29.700 0.015 0.000 0.740 267 E HN 0.510 nan 8.360 nan 0.000 0.454 268 F N -0.817 118.947 119.950 -0.309 0.000 2.179 268 F HA 0.201 4.720 4.527 -0.013 0.000 0.292 268 F C 1.961 177.382 175.800 -0.631 0.000 1.089 268 F CA 1.069 58.675 58.000 -0.656 0.000 1.295 268 F CB -0.448 38.091 39.000 -0.768 0.000 1.041 268 F HN 0.162 nan 8.300 nan 0.000 0.487 269 G N -0.200 108.529 108.800 -0.119 0.000 2.233 269 G HA2 -0.333 3.619 3.960 -0.014 0.000 0.270 269 G HA3 -0.333 3.619 3.960 -0.014 0.000 0.270 269 G C 0.844 175.799 174.900 0.092 0.000 1.011 269 G CA 0.566 45.650 45.100 -0.026 0.000 0.762 269 G HN 0.255 nan 8.290 nan 0.000 0.511 270 F N -0.656 119.304 119.950 0.016 0.000 2.407 270 F HA 0.367 4.886 4.527 -0.014 0.000 0.299 270 F C 1.476 177.186 175.800 -0.150 0.000 1.097 270 F CA 0.908 58.841 58.000 -0.112 0.000 1.422 270 F CB -0.328 38.552 39.000 -0.200 0.000 1.067 270 F HN 0.491 nan 8.300 nan 0.000 0.539 271 L N -4.253 117.049 121.223 0.131 0.000 2.869 271 L HA 0.708 5.040 4.340 -0.014 0.000 0.265 271 L C -0.849 176.065 176.870 0.073 0.000 1.011 271 L CA -0.831 54.044 54.840 0.058 0.000 0.913 271 L CB 1.786 43.879 42.059 0.058 0.000 1.490 271 L HN -0.386 nan 8.230 nan 0.000 0.410 272 T N 1.579 116.170 114.554 0.062 0.000 2.886 272 T HA 0.717 5.059 4.350 -0.014 0.000 0.292 272 T C -0.393 174.355 174.700 0.080 0.000 1.012 272 T CA -0.514 61.624 62.100 0.063 0.000 0.982 272 T CB 1.428 70.323 68.868 0.045 0.000 1.018 272 T HN 0.643 nan 8.240 nan 0.000 0.451 273 L N 2.392 123.668 121.223 0.088 0.000 2.439 273 L HA 0.467 4.799 4.340 -0.014 0.000 0.261 273 L C 1.273 178.215 176.870 0.121 0.000 1.153 273 L CA -0.801 54.109 54.840 0.118 0.000 0.808 273 L CB 0.711 42.846 42.059 0.126 0.000 1.126 273 L HN 0.746 nan 8.230 nan 0.000 0.460 274 S N -0.611 115.190 115.700 0.168 0.000 2.600 274 S HA 0.057 4.519 4.470 -0.014 0.000 0.265 274 S C 0.490 175.141 174.600 0.085 0.000 1.325 274 S CA -0.680 57.598 58.200 0.130 0.000 1.002 274 S CB 1.020 64.322 63.200 0.170 0.000 0.921 274 S HN 0.588 nan 8.310 nan 0.000 0.554 275 D N 1.394 121.809 120.400 0.026 0.000 2.182 275 D HA -0.028 4.604 4.640 -0.014 0.000 0.201 275 D C 2.076 178.326 176.300 -0.084 0.000 0.986 275 D CA 1.650 55.641 54.000 -0.015 0.000 0.847 275 D CB -0.758 40.028 40.800 -0.023 0.000 0.942 275 D HN 0.718 nan 8.370 nan 0.000 0.467 276 A N -0.434 122.280 122.820 -0.177 0.000 2.015 276 A HA -0.086 4.226 4.320 -0.014 0.000 0.219 276 A C 1.214 178.376 177.584 -0.703 0.000 1.163 276 A CA 0.774 52.528 52.037 -0.471 0.000 0.646 276 A CB -0.466 18.135 19.000 -0.665 0.000 0.806 276 A HN 0.239 nan 8.150 nan 0.000 0.448 277 F N 0.046 120.003 119.950 0.012 0.000 2.791 277 F HA 0.279 4.798 4.527 -0.013 0.000 0.308 277 F C 0.649 176.453 175.800 0.007 0.000 1.138 277 F CA 0.249 58.255 58.000 0.009 0.000 1.294 277 F CB 0.489 39.497 39.000 0.012 0.000 0.975 277 F HN 0.166 nan 8.300 nan 0.000 0.512 278 S N -1.975 113.774 115.700 0.082 0.000 2.596 278 S HA 0.688 5.150 4.470 -0.014 0.000 0.270 278 S C -0.640 173.972 174.600 0.020 0.000 1.155 278 S CA -0.772 57.465 58.200 0.062 0.000 0.827 278 S CB 2.105 65.345 63.200 0.067 0.000 1.130 278 S HN -0.132 nan 8.310 nan 0.000 0.467 279 T N 0.608 115.174 114.554 0.019 0.000 2.918 279 T HA 0.866 5.208 4.350 -0.014 0.000 0.286 279 T C 0.059 174.763 174.700 0.007 0.000 1.026 279 T CA -0.345 61.759 62.100 0.007 0.000 1.031 279 T CB 1.406 70.279 68.868 0.007 0.000 1.046 279 T HN 1.196 nan 8.240 nan 0.000 0.479 280 G N 0.300 109.101 108.800 0.002 0.000 2.718 280 G HA2 0.542 4.494 3.960 -0.014 0.000 0.295 280 G HA3 0.542 4.494 3.960 -0.014 0.000 0.295 280 G C -1.261 173.639 174.900 0.000 0.000 1.421 280 G CA -0.533 44.569 45.100 0.003 0.000 0.902 280 G HN 0.682 nan 8.290 nan 0.000 0.501 281 S N -0.718 114.983 115.700 0.001 0.000 2.525 281 S HA 0.495 4.957 4.470 -0.014 0.000 0.290 281 S C 1.701 176.301 174.600 -0.000 0.000 1.152 281 S CA 0.284 58.484 58.200 -0.000 0.000 1.072 281 S CB 1.359 64.559 63.200 0.000 0.000 1.027 281 S HN 1.278 nan 8.310 nan 0.000 0.500 282 S N 4.561 120.260 115.700 -0.001 0.000 2.447 282 S HA -0.032 4.430 4.470 -0.014 0.000 0.233 282 S C 1.669 176.269 174.600 -0.001 0.000 1.006 282 S CA 0.632 58.831 58.200 -0.001 0.000 0.957 282 S CB -0.586 62.613 63.200 -0.002 0.000 0.773 282 S HN 0.718 nan 8.310 nan 0.000 0.507 283 L N -0.404 120.819 121.223 -0.000 0.000 2.179 283 L HA 0.252 4.583 4.340 -0.014 0.000 0.208 283 L C 1.139 178.009 176.870 -0.000 0.000 1.096 283 L CA 0.885 55.725 54.840 -0.000 0.000 0.779 283 L CB -0.353 41.706 42.059 -0.000 0.000 0.922 283 L HN 0.342 nan 8.230 nan 0.000 0.443 284 M N 0.829 120.429 119.600 0.000 0.000 2.236 284 M HA 0.212 4.684 4.480 -0.014 0.000 0.228 284 M C -1.740 174.561 176.300 0.002 0.000 0.906 284 M CA -1.282 54.019 55.300 0.001 0.000 0.761 284 M CB 1.566 34.167 32.600 0.001 0.000 1.439 284 M HN -0.220 nan 8.290 nan 0.000 0.394 285 P HA -0.183 nan 4.420 nan 0.000 0.223 285 P C 0.711 178.014 177.300 0.004 0.000 1.144 285 P CA 1.380 64.481 63.100 0.002 0.000 0.783 285 P CB 0.287 31.988 31.700 0.002 0.000 0.771 286 Q N 0.259 120.062 119.800 0.004 0.000 2.123 286 Q HA 0.003 4.334 4.340 -0.014 0.000 0.196 286 Q C 1.194 177.199 176.000 0.008 0.000 0.958 286 Q CA 0.510 56.317 55.803 0.006 0.000 0.841 286 Q CB -0.586 28.154 28.738 0.004 0.000 0.915 286 Q HN 0.345 nan 8.270 nan 0.000 0.455 287 K N 2.003 122.407 120.400 0.006 0.000 2.466 287 K HA -0.071 4.241 4.320 -0.014 0.000 0.278 287 K C -0.628 175.978 176.600 0.010 0.000 1.048 287 K CA 0.500 56.791 56.287 0.006 0.000 1.088 287 K CB 0.267 32.770 32.500 0.004 0.000 0.884 287 K HN -0.276 nan 8.250 nan 0.000 0.478 288 K N 3.769 124.177 120.400 0.013 0.000 2.483 288 K HA 0.255 4.567 4.320 -0.014 0.000 0.256 288 K C -1.285 175.326 176.600 0.018 0.000 0.961 288 K CA -0.630 55.668 56.287 0.019 0.000 0.873 288 K CB 0.937 33.453 32.500 0.027 0.000 1.107 288 K HN 0.508 nan 8.250 nan 0.000 0.432 289 N N 4.757 123.466 118.700 0.017 0.000 2.419 289 N HA 0.191 4.923 4.740 -0.014 0.000 0.264 289 N C -2.338 173.186 175.510 0.024 0.000 1.031 289 N CA -1.612 51.446 53.050 0.014 0.000 0.951 289 N CB 1.250 39.743 38.487 0.010 0.000 1.101 289 N HN 0.338 nan 8.380 nan 0.000 0.488 290 P HA 0.128 nan 4.420 nan 0.000 0.225 290 P C -0.281 177.038 177.300 0.031 0.000 1.768 290 P CA -0.141 62.978 63.100 0.031 0.000 0.943 290 P CB 0.100 31.808 31.700 0.013 0.000 1.936 291 D N 1.017 121.440 120.400 0.039 0.000 2.133 291 D HA -0.221 4.411 4.640 -0.014 0.000 0.192 291 D C 2.236 178.565 176.300 0.048 0.000 1.001 291 D CA 2.476 56.498 54.000 0.037 0.000 0.844 291 D CB -0.386 40.437 40.800 0.038 0.000 0.944 291 D HN 0.295 nan 8.370 nan 0.000 0.447 292 S N 0.163 115.916 115.700 0.088 0.000 2.365 292 S HA -0.193 4.269 4.470 -0.014 0.000 0.225 292 S C 2.142 176.759 174.600 0.028 0.000 1.039 292 S CA 0.928 59.188 58.200 0.100 0.000 1.033 292 S CB -0.825 62.493 63.200 0.197 0.000 0.887 292 S HN 0.285 nan 8.310 nan 0.000 0.447 293 L N 1.300 122.529 121.223 0.009 0.000 2.056 293 L HA -0.047 4.285 4.340 -0.014 0.000 0.207 293 L C 3.001 179.855 176.870 -0.028 0.000 1.078 293 L CA 1.585 56.409 54.840 -0.027 0.000 0.749 293 L CB -0.730 41.308 42.059 -0.035 0.000 0.901 293 L HN 0.393 nan 8.230 nan 0.000 0.433 294 E N 0.430 120.621 120.200 -0.015 0.000 2.077 294 E HA -0.218 4.124 4.350 -0.014 0.000 0.193 294 E C 2.357 178.948 176.600 -0.014 0.000 0.989 294 E CA 1.102 57.492 56.400 -0.018 0.000 0.800 294 E CB -0.182 29.511 29.700 -0.010 0.000 0.746 294 E HN 0.446 nan 8.360 nan 0.000 0.452 295 L N 0.751 121.973 121.223 -0.002 0.000 1.989 295 L HA -0.229 4.103 4.340 -0.014 0.000 0.211 295 L C 2.532 179.395 176.870 -0.012 0.000 1.071 295 L CA 1.123 55.963 54.840 0.000 0.000 0.749 295 L CB -0.449 41.620 42.059 0.016 0.000 0.890 295 L HN 0.153 nan 8.230 nan 0.000 0.431 296 I N -0.497 120.060 120.570 -0.021 0.000 2.163 296 I HA -0.352 3.810 4.170 -0.014 0.000 0.243 296 I C 2.888 178.978 176.117 -0.044 0.000 1.085 296 I CA 1.451 62.728 61.300 -0.038 0.000 1.347 296 I CB -0.387 37.580 38.000 -0.055 0.000 1.044 296 I HN 0.274 nan 8.210 nan 0.000 0.408 297 R N 1.096 121.569 120.500 -0.045 0.000 2.091 297 R HA -0.200 4.132 4.340 -0.014 0.000 0.238 297 R C 2.514 178.791 176.300 -0.039 0.000 1.136 297 R CA 2.122 58.192 56.100 -0.049 0.000 0.959 297 R CB -0.255 30.014 30.300 -0.050 0.000 0.856 297 R HN 0.477 nan 8.270 nan 0.000 0.437 298 S N 0.292 115.975 115.700 -0.027 0.000 2.423 298 S HA -0.054 4.408 4.470 -0.014 0.000 0.231 298 S C 1.576 176.168 174.600 -0.014 0.000 1.014 298 S CA 0.685 58.875 58.200 -0.018 0.000 0.965 298 S CB -0.023 63.171 63.200 -0.010 0.000 0.785 298 S HN 0.235 nan 8.310 nan 0.000 0.495 299 K N 1.896 122.285 120.400 -0.019 0.000 2.362 299 K HA 0.228 4.539 4.320 -0.014 0.000 0.200 299 K C 2.295 178.882 176.600 -0.023 0.000 1.046 299 K CA 0.995 57.271 56.287 -0.018 0.000 0.952 299 K CB -1.109 31.377 32.500 -0.023 0.000 0.753 299 K HN 0.537 nan 8.250 nan 0.000 0.466 300 A N 1.240 124.040 122.820 -0.033 0.000 1.883 300 A HA -0.108 4.203 4.320 -0.014 0.000 0.217 300 A C 2.508 180.102 177.584 0.016 0.000 1.186 300 A CA 2.146 54.160 52.037 -0.039 0.000 0.624 300 A CB -1.141 17.820 19.000 -0.066 0.000 0.822 300 A HN 0.366 nan 8.150 nan 0.000 0.444 301 G N -0.916 107.900 108.800 0.027 0.000 2.418 301 G HA2 -0.249 3.702 3.960 -0.014 0.000 0.217 301 G HA3 -0.249 3.702 3.960 -0.014 0.000 0.217 301 G C 1.736 176.699 174.900 0.104 0.000 1.158 301 G CA 1.000 46.160 45.100 0.100 0.000 0.771 301 G HN 0.546 nan 8.290 nan 0.000 0.545 302 R N -0.036 120.487 120.500 0.040 0.000 2.083 302 R HA -0.077 4.255 4.340 -0.014 0.000 0.237 302 R C 2.610 178.909 176.300 -0.001 0.000 1.137 302 R CA 1.756 57.864 56.100 0.013 0.000 0.951 302 R CB -0.393 29.909 30.300 0.003 0.000 0.851 302 R HN 0.289 nan 8.270 nan 0.000 0.434 303 V N 0.765 120.679 119.914 0.000 0.000 2.307 303 V HA -0.220 3.891 4.120 -0.014 0.000 0.245 303 V C 2.063 178.149 176.094 -0.014 0.000 1.045 303 V CA 1.810 64.091 62.300 -0.032 0.000 1.024 303 V CB -0.751 31.028 31.823 -0.073 0.000 0.651 303 V HN 0.357 nan 8.190 nan 0.000 0.449 304 F N 2.474 122.362 119.950 -0.104 0.000 2.202 304 F HA -0.060 4.458 4.527 -0.015 0.000 0.301 304 F C 2.086 177.840 175.800 -0.075 0.000 1.082 304 F CA 1.501 59.443 58.000 -0.096 0.000 1.313 304 F CB -0.884 38.065 39.000 -0.086 0.000 1.024 304 F HN 0.119 nan 8.300 nan 0.000 0.495 305 G N 0.874 109.523 108.800 -0.251 0.000 2.440 305 G HA2 -0.243 3.709 3.960 -0.014 0.000 0.218 305 G HA3 -0.243 3.709 3.960 -0.014 0.000 0.218 305 G C 1.821 176.539 174.900 -0.303 0.000 1.154 305 G CA 0.589 45.483 45.100 -0.344 0.000 0.767 305 G HN 0.213 nan 8.290 nan 0.000 0.552 306 R N -0.164 120.219 120.500 -0.196 0.000 2.081 306 R HA 0.005 4.337 4.340 -0.014 0.000 0.235 306 R C 2.501 178.690 176.300 -0.184 0.000 1.131 306 R CA 0.983 56.990 56.100 -0.156 0.000 0.960 306 R CB -1.298 28.945 30.300 -0.095 0.000 0.856 306 R HN 0.458 nan 8.270 nan 0.000 0.436 307 L N 0.943 122.041 121.223 -0.208 0.000 2.012 307 L HA -0.108 4.223 4.340 -0.014 0.000 0.210 307 L C 2.210 178.935 176.870 -0.241 0.000 1.073 307 L CA 2.249 56.978 54.840 -0.186 0.000 0.748 307 L CB -0.868 41.111 42.059 -0.134 0.000 0.891 307 L HN 0.159 nan 8.230 nan 0.000 0.431 308 A N -0.611 121.955 122.820 -0.423 0.000 1.883 308 A HA -0.250 4.061 4.320 -0.014 0.000 0.217 308 A C 2.523 179.960 177.584 -0.245 0.000 1.186 308 A CA 2.520 54.314 52.037 -0.405 0.000 0.624 308 A CB -1.341 17.266 19.000 -0.653 0.000 0.822 308 A HN 0.721 nan 8.150 nan 0.000 0.444 309 S N 0.178 115.742 115.700 -0.226 0.000 2.351 309 S HA -0.175 4.287 4.470 -0.014 0.000 0.220 309 S C 1.827 176.348 174.600 -0.133 0.000 1.035 309 S CA 1.636 59.741 58.200 -0.159 0.000 1.031 309 S CB -0.670 62.444 63.200 -0.144 0.000 0.928 309 S HN 0.322 nan 8.310 nan 0.000 0.433 310 I N 2.289 122.779 120.570 -0.133 0.000 2.264 310 I HA -0.093 4.068 4.170 -0.014 0.000 0.248 310 I C 2.526 178.579 176.117 -0.106 0.000 1.111 310 I CA 0.942 62.171 61.300 -0.119 0.000 1.382 310 I CB -1.602 36.326 38.000 -0.120 0.000 1.060 310 I HN 0.341 nan 8.210 nan 0.000 0.418 311 L N -0.439 120.720 121.223 -0.106 0.000 2.046 311 L HA -0.218 4.114 4.340 -0.014 0.000 0.208 311 L C 2.649 179.474 176.870 -0.076 0.000 1.077 311 L CA 1.386 56.176 54.840 -0.083 0.000 0.747 311 L CB -0.390 41.623 42.059 -0.078 0.000 0.896 311 L HN 0.244 nan 8.230 nan 0.000 0.432 312 M N -0.947 118.602 119.600 -0.086 0.000 2.254 312 M HA -0.130 4.342 4.480 -0.014 0.000 0.265 312 M C 2.013 178.271 176.300 -0.070 0.000 1.066 312 M CA 1.240 56.496 55.300 -0.073 0.000 1.123 312 M CB 0.169 32.723 32.600 -0.077 0.000 1.388 312 M HN -0.001 nan 8.290 nan 0.000 0.425 313 V N 0.889 120.754 119.914 -0.081 0.000 2.358 313 V HA -0.255 3.857 4.120 -0.014 0.000 0.246 313 V C 2.233 178.280 176.094 -0.078 0.000 1.047 313 V CA 1.578 63.829 62.300 -0.081 0.000 1.035 313 V CB -0.586 31.183 31.823 -0.092 0.000 0.658 313 V HN 0.527 nan 8.190 nan 0.000 0.452 314 L N -0.577 120.600 121.223 -0.076 0.000 2.240 314 L HA 0.009 4.340 4.340 -0.014 0.000 0.211 314 L C 1.530 178.368 176.870 -0.053 0.000 1.106 314 L CA 0.567 55.367 54.840 -0.067 0.000 0.793 314 L CB -0.291 41.730 42.059 -0.065 0.000 0.927 314 L HN 0.153 nan 8.230 nan 0.000 0.446 315 K N 1.343 121.713 120.400 -0.049 0.000 2.472 315 K HA -0.017 4.295 4.320 -0.014 0.000 0.280 315 K C 0.961 177.540 176.600 -0.037 0.000 1.028 315 K CA 1.012 57.276 56.287 -0.039 0.000 1.045 315 K CB 0.387 32.865 32.500 -0.036 0.000 0.902 315 K HN 0.300 nan 8.250 nan 0.000 0.478 316 G N 3.575 112.357 108.800 -0.030 0.000 2.168 316 G HA2 -0.270 3.682 3.960 -0.014 0.000 0.263 316 G HA3 -0.270 3.682 3.960 -0.014 0.000 0.263 316 G C 0.341 175.221 174.900 -0.032 0.000 0.977 316 G CA 0.434 45.517 45.100 -0.028 0.000 0.659 316 G HN 0.540 nan 8.290 nan 0.000 0.533 317 L N 1.815 123.014 121.223 -0.039 0.000 2.439 317 L HA 0.407 4.739 4.340 -0.014 0.000 0.269 317 L C -0.808 176.040 176.870 -0.036 0.000 1.179 317 L CA -1.363 53.448 54.840 -0.047 0.000 0.828 317 L CB 0.413 42.434 42.059 -0.064 0.000 1.106 317 L HN 0.134 nan 8.230 nan 0.000 0.467 318 P HA 0.305 nan 4.420 nan 0.000 0.285 318 P C -1.056 176.233 177.300 -0.019 0.000 1.280 318 P CA -0.620 62.466 63.100 -0.023 0.000 0.862 318 P CB 1.552 33.240 31.700 -0.020 0.000 1.153 319 S N -0.074 115.622 115.700 -0.006 0.000 2.585 319 S HA 0.271 4.733 4.470 -0.014 0.000 0.273 319 S C 0.938 175.546 174.600 0.013 0.000 1.339 319 S CA -0.096 58.108 58.200 0.007 0.000 1.028 319 S CB 0.535 63.743 63.200 0.013 0.000 0.906 319 S HN 0.521 nan 8.310 nan 0.000 0.528 320 T N 0.670 115.244 114.554 0.033 0.000 3.610 320 T HA 0.158 4.500 4.350 -0.014 0.000 0.209 320 T C -0.154 174.590 174.700 0.073 0.000 0.889 320 T CA 0.025 62.159 62.100 0.055 0.000 1.469 320 T CB -0.432 68.482 68.868 0.076 0.000 1.557 320 T HN 0.579 nan 8.240 nan 0.000 0.431 321 Y N 2.801 123.099 120.300 -0.003 0.000 2.346 321 Y HA 0.445 4.987 4.550 -0.014 0.000 0.330 321 Y C -0.424 175.472 175.900 -0.008 0.000 1.178 321 Y CA -0.666 57.431 58.100 -0.005 0.000 1.331 321 Y CB 0.217 38.673 38.460 -0.007 0.000 1.253 321 Y HN 0.292 nan 8.280 nan 0.000 0.529 322 N N 3.095 121.279 118.700 -0.861 0.000 2.277 322 N HA 0.186 4.917 4.740 -0.014 0.000 0.286 322 N C -0.414 174.562 175.510 -0.890 0.000 1.140 322 N CA -0.932 51.763 53.050 -0.592 0.000 0.799 322 N CB 1.710 40.017 38.487 -0.300 0.000 1.596 322 N HN 0.453 nan 8.380 nan 0.000 0.473 323 K N 0.680 120.814 120.400 -0.443 0.000 2.442 323 K HA -0.053 4.258 4.320 -0.014 0.000 0.198 323 K C 0.076 176.555 176.600 -0.202 0.000 1.044 323 K CA 1.481 57.619 56.287 -0.249 0.000 0.948 323 K CB -0.099 32.367 32.500 -0.057 0.000 0.762 323 K HN 0.540 nan 8.250 nan 0.000 0.472 324 D N 0.315 120.582 120.400 -0.222 0.000 2.123 324 D HA -0.177 4.455 4.640 -0.014 0.000 0.196 324 D C 1.432 177.647 176.300 -0.142 0.000 0.992 324 D CA 1.305 55.215 54.000 -0.151 0.000 0.833 324 D CB -0.156 40.560 40.800 -0.140 0.000 0.954 324 D HN 0.209 nan 8.370 nan 0.000 0.455 325 L N 0.533 121.638 121.223 -0.197 0.000 2.450 325 L HA -0.210 4.121 4.340 -0.014 0.000 0.225 325 L C 2.345 179.188 176.870 -0.045 0.000 1.145 325 L CA 0.801 55.570 54.840 -0.118 0.000 0.801 325 L CB -0.567 41.429 42.059 -0.105 0.000 0.924 325 L HN 0.135 nan 8.230 nan 0.000 0.447 326 Q N 0.415 120.198 119.800 -0.029 0.000 2.291 326 Q HA -0.189 4.143 4.340 -0.014 0.000 0.206 326 Q C 1.628 177.622 176.000 -0.011 0.000 0.976 326 Q CA 0.927 56.743 55.803 0.023 0.000 0.875 326 Q CB 0.183 28.949 28.738 0.046 0.000 0.927 326 Q HN 0.480 nan 8.270 nan 0.000 0.450 327 E N 1.094 121.262 120.200 -0.054 0.000 2.516 327 E HA -0.136 4.206 4.350 -0.014 0.000 0.199 327 E C 1.141 177.663 176.600 -0.129 0.000 1.069 327 E CA 0.932 57.280 56.400 -0.088 0.000 0.876 327 E CB 0.096 29.742 29.700 -0.090 0.000 0.843 327 E HN 0.619 nan 8.360 nan 0.000 0.530 328 D N 1.014 121.340 120.400 -0.124 0.000 2.117 328 D HA -0.176 4.456 4.640 -0.014 0.000 0.198 328 D C 1.579 177.731 176.300 -0.247 0.000 0.982 328 D CA 0.922 54.822 54.000 -0.165 0.000 0.828 328 D CB -0.345 40.360 40.800 -0.158 0.000 0.967 328 D HN 0.044 nan 8.370 nan 0.000 0.464 329 K N 0.518 120.742 120.400 -0.293 0.000 2.015 329 K HA -0.193 4.119 4.320 -0.014 0.000 0.216 329 K C 2.324 178.420 176.600 -0.840 0.000 1.052 329 K CA 1.843 57.745 56.287 -0.642 0.000 0.937 329 K CB -0.219 32.065 32.500 -0.361 0.000 0.719 329 K HN 0.267 nan 8.250 nan 0.000 0.446 330 E N 0.205 120.081 120.200 -0.540 0.000 2.118 330 E HA -0.207 4.135 4.350 -0.014 0.000 0.195 330 E C 2.013 178.485 176.600 -0.213 0.000 0.992 330 E CA 1.037 57.188 56.400 -0.415 0.000 0.804 330 E CB -0.107 29.314 29.700 -0.465 0.000 0.741 330 E HN 0.378 nan 8.360 nan 0.000 0.458 331 A N 0.727 123.430 122.820 -0.195 0.000 1.873 331 A HA -0.130 4.181 4.320 -0.014 0.000 0.215 331 A C 2.489 180.080 177.584 0.012 0.000 1.186 331 A CA 1.101 53.084 52.037 -0.089 0.000 0.616 331 A CB -0.614 18.328 19.000 -0.097 0.000 0.823 331 A HN 0.116 nan 8.150 nan 0.000 0.442 332 V N -0.747 119.152 119.914 -0.025 0.000 2.295 332 V HA -0.262 3.850 4.120 -0.014 0.000 0.246 332 V C 2.359 178.653 176.094 0.335 0.000 1.049 332 V CA 2.033 64.436 62.300 0.173 0.000 1.024 332 V CB -1.033 30.811 31.823 0.034 0.000 0.648 332 V HN 0.637 nan 8.190 nan 0.000 0.447 333 F N 0.292 120.340 119.950 0.163 0.000 2.095 333 F HA -0.246 4.272 4.527 -0.016 0.000 0.298 333 F C 2.542 178.429 175.800 0.145 0.000 1.104 333 F CA 1.455 59.550 58.000 0.159 0.000 1.232 333 F CB -0.363 38.658 39.000 0.035 0.000 0.987 333 F HN 0.259 nan 8.300 nan 0.000 0.475 334 D N 0.680 121.239 120.400 0.266 0.000 2.087 334 D HA -0.162 4.470 4.640 -0.014 0.000 0.192 334 D C 2.119 178.518 176.300 0.165 0.000 0.993 334 D CA 1.381 55.476 54.000 0.159 0.000 0.828 334 D CB -0.374 40.468 40.800 0.071 0.000 0.968 334 D HN 0.024 nan 8.370 nan 0.000 0.448 335 V N -0.016 120.007 119.914 0.182 0.000 2.490 335 V HA -0.171 3.940 4.120 -0.014 0.000 0.250 335 V C 2.678 178.939 176.094 0.279 0.000 1.061 335 V CA 1.090 63.487 62.300 0.161 0.000 1.064 335 V CB -0.209 31.665 31.823 0.084 0.000 0.670 335 V HN 0.129 nan 8.190 nan 0.000 0.461 336 V N 0.121 120.291 119.914 0.428 0.000 2.307 336 V HA -0.228 3.884 4.120 -0.014 0.000 0.245 336 V C 2.259 178.510 176.094 0.262 0.000 1.045 336 V CA 2.184 64.735 62.300 0.419 0.000 1.024 336 V CB -0.580 31.482 31.823 0.398 0.000 0.651 336 V HN 0.560 nan 8.190 nan 0.000 0.449 337 D N -0.498 120.038 120.400 0.227 0.000 2.178 337 D HA -0.110 4.522 4.640 -0.014 0.000 0.202 337 D C 2.254 178.615 176.300 0.102 0.000 0.974 337 D CA 1.587 55.675 54.000 0.147 0.000 0.841 337 D CB -0.238 40.640 40.800 0.129 0.000 0.953 337 D HN 0.374 nan 8.370 nan 0.000 0.478 338 T N 1.266 115.879 114.554 0.100 0.000 2.737 338 T HA -0.038 4.304 4.350 -0.014 0.000 0.265 338 T C 2.230 176.953 174.700 0.039 0.000 1.038 338 T CA 0.465 62.597 62.100 0.054 0.000 1.144 338 T CB -0.220 68.671 68.868 0.038 0.000 0.866 338 T HN 0.102 nan 8.240 nan 0.000 0.434 339 L N 0.698 121.959 121.223 0.064 0.000 2.046 339 L HA -0.140 4.192 4.340 -0.014 0.000 0.208 339 L C 2.898 179.802 176.870 0.056 0.000 1.077 339 L CA 1.301 56.173 54.840 0.053 0.000 0.747 339 L CB -1.060 41.066 42.059 0.113 0.000 0.896 339 L HN 0.315 nan 8.230 nan 0.000 0.432 340 T N -0.180 114.422 114.554 0.079 0.000 2.746 340 T HA -0.171 4.170 4.350 -0.014 0.000 0.267 340 T C 1.963 176.603 174.700 -0.100 0.000 1.039 340 T CA 1.387 63.497 62.100 0.017 0.000 1.142 340 T CB -0.190 68.722 68.868 0.073 0.000 0.866 340 T HN 0.460 nan 8.240 nan 0.000 0.444 341 A N 0.958 123.757 122.820 -0.036 0.000 1.855 341 A HA -0.012 4.300 4.320 -0.014 0.000 0.215 341 A C 2.596 180.152 177.584 -0.046 0.000 1.191 341 A CA 1.301 53.313 52.037 -0.040 0.000 0.613 341 A CB -1.056 17.945 19.000 0.001 0.000 0.829 341 A HN 0.322 nan 8.150 nan 0.000 0.442 342 V N 0.490 120.385 119.914 -0.031 0.000 2.287 342 V HA -0.301 3.811 4.120 -0.014 0.000 0.248 342 V C 2.601 178.660 176.094 -0.059 0.000 1.053 342 V CA 2.089 64.366 62.300 -0.038 0.000 1.027 342 V CB -0.925 30.876 31.823 -0.036 0.000 0.646 342 V HN 0.561 nan 8.190 nan 0.000 0.447 343 L N -0.533 120.656 121.223 -0.057 0.000 2.042 343 L HA -0.277 4.055 4.340 -0.014 0.000 0.210 343 L C 2.722 179.544 176.870 -0.080 0.000 1.076 343 L CA 1.852 56.664 54.840 -0.047 0.000 0.749 343 L CB -0.686 41.383 42.059 0.016 0.000 0.893 343 L HN 0.403 nan 8.230 nan 0.000 0.432 344 Q N -0.761 118.955 119.800 -0.141 0.000 2.167 344 Q HA -0.144 4.187 4.340 -0.014 0.000 0.202 344 Q C 2.356 178.310 176.000 -0.077 0.000 0.970 344 Q CA 1.183 56.916 55.803 -0.117 0.000 0.855 344 Q CB -0.100 28.537 28.738 -0.169 0.000 0.911 344 Q HN 0.371 nan 8.270 nan 0.000 0.438 345 V N 1.023 120.896 119.914 -0.068 0.000 2.358 345 V HA -0.269 3.843 4.120 -0.014 0.000 0.246 345 V C 2.283 178.201 176.094 -0.294 0.000 1.047 345 V CA 1.754 63.995 62.300 -0.098 0.000 1.035 345 V CB -0.954 30.868 31.823 -0.001 0.000 0.658 345 V HN 0.382 nan 8.190 nan 0.000 0.452 346 A N -0.124 122.584 122.820 -0.187 0.000 1.851 346 A HA -0.270 4.042 4.320 -0.014 0.000 0.216 346 A C 2.414 179.867 177.584 -0.219 0.000 1.195 346 A CA 2.736 54.658 52.037 -0.193 0.000 0.622 346 A CB -1.260 17.666 19.000 -0.124 0.000 0.831 346 A HN 0.470 nan 8.150 nan 0.000 0.444 347 T N -0.190 114.273 114.554 -0.151 0.000 2.653 347 T HA -0.148 4.194 4.350 -0.014 0.000 0.268 347 T C 1.921 176.520 174.700 -0.169 0.000 1.035 347 T CA 1.875 63.910 62.100 -0.108 0.000 1.154 347 T CB -0.807 68.040 68.868 -0.035 0.000 0.862 347 T HN 0.648 nan 8.240 nan 0.000 0.441 348 G N 0.762 109.386 108.800 -0.294 0.000 2.421 348 G HA2 -0.185 3.767 3.960 -0.014 0.000 0.216 348 G HA3 -0.185 3.767 3.960 -0.014 0.000 0.216 348 G C 1.730 176.225 174.900 -0.675 0.000 1.171 348 G CA 0.938 45.776 45.100 -0.436 0.000 0.775 348 G HN 0.437 nan 8.290 nan 0.000 0.543 349 V N 1.581 120.933 119.914 -0.937 0.000 2.255 349 V HA -0.186 3.926 4.120 -0.014 0.000 0.247 349 V C 2.831 178.825 176.094 -0.168 0.000 1.051 349 V CA 1.457 63.442 62.300 -0.525 0.000 1.018 349 V CB -0.347 31.254 31.823 -0.370 0.000 0.641 349 V HN 0.301 nan 8.190 nan 0.000 0.445 350 I N 1.075 121.566 120.570 -0.132 0.000 2.286 350 I HA -0.166 3.995 4.170 -0.014 0.000 0.248 350 I C 2.587 178.726 176.117 0.036 0.000 1.115 350 I CA 2.264 63.555 61.300 -0.014 0.000 1.392 350 I CB -1.380 36.598 38.000 -0.036 0.000 1.065 350 I HN 0.567 nan 8.210 nan 0.000 0.418 351 S N -0.368 115.336 115.700 0.007 0.000 2.496 351 S HA -0.047 4.415 4.470 -0.014 0.000 0.224 351 S C 1.603 176.252 174.600 0.082 0.000 0.996 351 S CA 0.835 59.066 58.200 0.052 0.000 0.927 351 S CB -0.616 62.610 63.200 0.043 0.000 0.774 351 S HN 0.561 nan 8.310 nan 0.000 0.524 352 T N 0.285 114.893 114.554 0.091 0.000 3.129 352 T HA 0.486 4.828 4.350 -0.014 0.000 0.267 352 T C 0.158 174.941 174.700 0.137 0.000 1.018 352 T CA -0.714 61.470 62.100 0.139 0.000 0.903 352 T CB -0.646 68.364 68.868 0.237 0.000 1.067 352 T HN 0.368 nan 8.240 nan 0.000 0.549 353 L N 0.219 121.515 121.223 0.122 0.000 2.350 353 L HA 0.780 5.112 4.340 -0.014 0.000 0.275 353 L C -0.540 176.396 176.870 0.111 0.000 1.099 353 L CA -0.960 53.956 54.840 0.126 0.000 0.808 353 L CB 0.442 42.586 42.059 0.142 0.000 1.149 353 L HN -0.109 nan 8.230 nan 0.000 0.442 354 Q N 3.789 123.637 119.800 0.081 0.000 2.290 354 Q HA 0.670 5.002 4.340 -0.014 0.000 0.259 354 Q C -0.334 175.669 176.000 0.006 0.000 0.941 354 Q CA -0.352 55.479 55.803 0.046 0.000 0.912 354 Q CB 2.016 30.776 28.738 0.036 0.000 1.244 354 Q HN 0.777 nan 8.270 nan 0.000 0.441 355 I N -1.832 118.707 120.570 -0.052 0.000 2.677 355 I HA 0.543 4.704 4.170 -0.014 0.000 0.305 355 I C -0.029 176.005 176.117 -0.138 0.000 0.988 355 I CA -0.631 60.565 61.300 -0.174 0.000 1.260 355 I CB 1.731 39.487 38.000 -0.407 0.000 1.410 355 I HN 0.399 nan 8.210 nan 0.000 0.523 356 S N 3.355 118.965 115.700 -0.150 0.000 2.665 356 S HA 0.194 4.656 4.470 -0.014 0.000 0.230 356 S C 0.908 175.418 174.600 -0.150 0.000 1.326 356 S CA -0.718 57.426 58.200 -0.094 0.000 1.055 356 S CB 0.034 63.221 63.200 -0.022 0.000 1.178 356 S HN 0.841 nan 8.310 nan 0.000 0.489 357 K N 2.786 123.091 120.400 -0.160 0.000 2.074 357 K HA -0.197 4.115 4.320 -0.014 0.000 0.209 357 K C 1.815 178.337 176.600 -0.130 0.000 1.048 357 K CA 1.977 58.162 56.287 -0.170 0.000 0.926 357 K CB -0.127 32.304 32.500 -0.115 0.000 0.713 357 K HN 0.777 nan 8.250 nan 0.000 0.444 358 E N 0.158 120.308 120.200 -0.083 0.000 2.058 358 E HA -0.222 4.120 4.350 -0.014 0.000 0.194 358 E C 1.602 178.169 176.600 -0.055 0.000 0.997 358 E CA 1.525 57.890 56.400 -0.059 0.000 0.801 358 E CB 0.016 29.695 29.700 -0.035 0.000 0.746 358 E HN 0.338 nan 8.360 nan 0.000 0.450 359 N N 0.000 118.683 118.700 -0.029 0.000 2.244 359 N HA -0.092 4.640 4.740 -0.014 0.000 0.183 359 N C 1.747 177.274 175.510 0.028 0.000 1.016 359 N CA 1.045 54.118 53.050 0.037 0.000 0.866 359 N CB -0.144 38.411 38.487 0.113 0.000 0.980 359 N HN 0.302 nan 8.380 nan 0.000 0.430 360 M N 0.194 119.701 119.600 -0.155 0.000 2.229 360 M HA -0.133 4.339 4.480 -0.014 0.000 0.264 360 M C 2.001 178.108 176.300 -0.322 0.000 1.063 360 M CA 1.180 56.210 55.300 -0.450 0.000 1.114 360 M CB -0.058 32.197 32.600 -0.574 0.000 1.387 360 M HN 0.036 nan 8.290 nan 0.000 0.420 361 E N 1.208 121.279 120.200 -0.215 0.000 2.028 361 E HA -0.147 4.195 4.350 -0.014 0.000 0.191 361 E C 1.576 178.062 176.600 -0.190 0.000 0.988 361 E CA 1.631 57.913 56.400 -0.197 0.000 0.799 361 E CB -0.106 29.523 29.700 -0.118 0.000 0.755 361 E HN 0.272 nan 8.360 nan 0.000 0.447 362 K N -0.208 120.127 120.400 -0.108 0.000 2.442 362 K HA -0.023 4.289 4.320 -0.014 0.000 0.198 362 K C 1.729 178.279 176.600 -0.083 0.000 1.044 362 K CA 0.707 56.948 56.287 -0.077 0.000 0.948 362 K CB -0.071 32.408 32.500 -0.036 0.000 0.762 362 K HN 0.250 nan 8.250 nan 0.000 0.472 363 A N 0.797 123.563 122.820 -0.090 0.000 2.123 363 A HA 0.069 4.381 4.320 -0.014 0.000 0.214 363 A C 0.780 178.259 177.584 -0.175 0.000 1.152 363 A CA 0.120 52.128 52.037 -0.049 0.000 0.728 363 A CB -0.039 19.039 19.000 0.130 0.000 0.814 363 A HN 0.117 nan 8.150 nan 0.000 0.464 364 L N 1.014 122.014 121.223 -0.372 0.000 2.418 364 L HA 0.249 4.581 4.340 -0.014 0.000 0.274 364 L C 0.398 177.007 176.870 -0.436 0.000 1.135 364 L CA -0.078 54.348 54.840 -0.689 0.000 0.870 364 L CB 0.798 41.928 42.059 -1.548 0.000 1.154 364 L HN 0.101 nan 8.230 nan 0.000 0.462 365 T N 3.469 117.969 114.554 -0.089 0.000 2.908 365 T HA 0.389 4.731 4.350 -0.014 0.000 0.290 365 T C -1.892 173.036 174.700 0.381 0.000 1.034 365 T CA -1.849 60.344 62.100 0.156 0.000 1.010 365 T CB 2.003 70.907 68.868 0.060 0.000 1.068 365 T HN 0.253 nan 8.240 nan 0.000 0.481 366 P HA -0.047 nan 4.420 nan 0.000 0.218 366 P C 0.898 178.289 177.300 0.153 0.000 1.148 366 P CA 0.921 64.135 63.100 0.191 0.000 0.822 366 P CB 0.227 31.956 31.700 0.048 0.000 0.784 367 E N -0.986 119.281 120.200 0.111 0.000 2.209 367 E HA -0.123 4.219 4.350 -0.014 0.000 0.196 367 E C 1.686 178.349 176.600 0.104 0.000 0.993 367 E CA 1.145 57.594 56.400 0.083 0.000 0.819 367 E CB -1.020 28.712 29.700 0.052 0.000 0.745 367 E HN 0.341 nan 8.360 nan 0.000 0.477 368 M N -0.292 119.393 119.600 0.143 0.000 2.659 368 M HA 0.050 4.522 4.480 -0.014 0.000 0.243 368 M C 0.794 177.189 176.300 0.158 0.000 1.111 368 M CA 0.641 56.027 55.300 0.144 0.000 1.070 368 M CB 0.211 32.908 32.600 0.161 0.000 1.525 368 M HN 0.048 nan 8.290 nan 0.000 0.517 369 L N -1.257 120.058 121.223 0.152 0.000 2.693 369 L HA 0.293 4.624 4.340 -0.014 0.000 0.235 369 L C 2.370 179.290 176.870 0.083 0.000 1.127 369 L CA -0.269 54.633 54.840 0.103 0.000 0.914 369 L CB -0.370 41.732 42.059 0.072 0.000 1.193 369 L HN 0.201 nan 8.230 nan 0.000 0.502 370 A N 0.910 123.785 122.820 0.092 0.000 1.978 370 A HA -0.210 4.102 4.320 -0.014 0.000 0.220 370 A C 2.453 180.056 177.584 0.031 0.000 1.170 370 A CA 2.390 54.465 52.037 0.064 0.000 0.636 370 A CB -0.738 18.282 19.000 0.034 0.000 0.810 370 A HN 0.497 nan 8.150 nan 0.000 0.448 371 T N -1.762 112.819 114.554 0.045 0.000 2.708 371 T HA -0.164 4.178 4.350 -0.014 0.000 0.266 371 T C 1.346 176.091 174.700 0.075 0.000 1.037 371 T CA 1.517 63.654 62.100 0.062 0.000 1.146 371 T CB -0.554 68.380 68.868 0.111 0.000 0.865 371 T HN 0.376 nan 8.240 nan 0.000 0.435 372 D N 1.159 121.595 120.400 0.059 0.000 2.178 372 D HA 0.010 4.642 4.640 -0.014 0.000 0.201 372 D C 1.974 178.286 176.300 0.020 0.000 0.980 372 D CA 0.448 54.463 54.000 0.026 0.000 0.842 372 D CB -0.502 40.284 40.800 -0.023 0.000 0.948 372 D HN 0.259 nan 8.370 nan 0.000 0.472 373 L N 0.899 122.127 121.223 0.007 0.000 2.017 373 L HA -0.084 4.248 4.340 -0.014 0.000 0.208 373 L C 2.138 179.112 176.870 0.173 0.000 1.073 373 L CA 1.681 56.553 54.840 0.054 0.000 0.745 373 L CB -0.745 41.361 42.059 0.079 0.000 0.894 373 L HN -0.011 nan 8.230 nan 0.000 0.432 374 A N -0.743 122.144 122.820 0.113 0.000 1.902 374 A HA -0.170 4.142 4.320 -0.014 0.000 0.217 374 A C 2.256 179.915 177.584 0.125 0.000 1.181 374 A CA 1.884 53.982 52.037 0.102 0.000 0.623 374 A CB -0.910 18.114 19.000 0.040 0.000 0.818 374 A HN 0.483 nan 8.150 nan 0.000 0.443 375 L N -1.875 119.420 121.223 0.120 0.000 2.131 375 L HA -0.207 4.125 4.340 -0.014 0.000 0.210 375 L C 2.537 179.448 176.870 0.067 0.000 1.092 375 L CA 1.678 56.571 54.840 0.088 0.000 0.759 375 L CB -0.604 41.485 42.059 0.049 0.000 0.903 375 L HN 0.660 nan 8.230 nan 0.000 0.435 376 Y N 0.528 120.815 120.300 -0.022 0.000 2.181 376 Y HA -0.252 4.290 4.550 -0.014 0.000 0.288 376 Y C 2.243 178.112 175.900 -0.052 0.000 1.146 376 Y CA 1.553 59.633 58.100 -0.033 0.000 1.164 376 Y CB -0.076 38.382 38.460 -0.003 0.000 0.982 376 Y HN 0.021 nan 8.280 nan 0.000 0.515 377 L N -1.106 120.160 121.223 0.071 0.000 2.109 377 L HA -0.166 4.166 4.340 -0.014 0.000 0.207 377 L C 2.364 179.164 176.870 -0.115 0.000 1.086 377 L CA 0.767 55.548 54.840 -0.099 0.000 0.760 377 L CB -0.611 41.391 42.059 -0.096 0.000 0.910 377 L HN 0.119 nan 8.230 nan 0.000 0.437 378 V N 0.074 119.966 119.914 -0.036 0.000 2.392 378 V HA -0.278 3.834 4.120 -0.014 0.000 0.249 378 V C 2.519 178.572 176.094 -0.068 0.000 1.059 378 V CA 1.730 64.023 62.300 -0.011 0.000 1.051 378 V CB -0.653 31.205 31.823 0.059 0.000 0.658 378 V HN 0.439 nan 8.190 nan 0.000 0.455 379 R N 0.168 120.595 120.500 -0.121 0.000 2.235 379 R HA -0.012 4.320 4.340 -0.014 0.000 0.213 379 R C 1.466 177.662 176.300 -0.174 0.000 1.059 379 R CA 0.548 56.562 56.100 -0.143 0.000 0.997 379 R CB -0.116 30.084 30.300 -0.167 0.000 0.884 379 R HN 0.451 nan 8.270 nan 0.000 0.462 380 K N 0.015 120.280 120.400 -0.224 0.000 2.500 380 K HA 0.160 4.471 4.320 -0.014 0.000 0.206 380 K C 0.760 177.280 176.600 -0.133 0.000 1.034 380 K CA 0.575 56.736 56.287 -0.209 0.000 1.179 380 K CB 1.198 33.520 32.500 -0.298 0.000 0.884 380 K HN 0.352 nan 8.250 nan 0.000 0.493 381 G N 0.862 109.602 108.800 -0.100 0.000 2.268 381 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.240 381 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.240 381 G C 0.361 175.232 174.900 -0.049 0.000 1.010 381 G CA 0.013 45.074 45.100 -0.065 0.000 0.618 381 G HN 0.157 nan 8.290 nan 0.000 0.516 382 V N 3.307 123.182 119.914 -0.065 0.000 2.557 382 V HA 0.284 4.395 4.120 -0.014 0.000 0.301 382 V C -1.219 174.875 176.094 -0.000 0.000 1.026 382 V CA -0.248 62.024 62.300 -0.046 0.000 1.137 382 V CB 0.699 32.475 31.823 -0.078 0.000 0.917 382 V HN 0.231 nan 8.190 nan 0.000 0.484 383 P HA 0.062 nan 4.420 nan 0.000 0.268 383 P C 0.557 177.929 177.300 0.121 0.000 1.205 383 P CA -0.261 62.879 63.100 0.067 0.000 0.771 383 P CB 0.396 32.124 31.700 0.047 0.000 0.858 384 F N 4.253 124.208 119.950 0.007 0.000 2.039 384 F HA -0.329 4.190 4.527 -0.013 0.000 0.296 384 F C 2.409 178.241 175.800 0.053 0.000 1.119 384 F CA 2.117 60.137 58.000 0.032 0.000 1.211 384 F CB -0.663 38.351 39.000 0.024 0.000 0.956 384 F HN 0.217 nan 8.300 nan 0.000 0.496 385 R N 0.476 120.928 120.500 -0.080 0.000 2.115 385 R HA -0.244 4.088 4.340 -0.014 0.000 0.239 385 R C 2.361 178.581 176.300 -0.135 0.000 1.133 385 R CA 2.559 58.538 56.100 -0.201 0.000 0.935 385 R CB -0.955 29.311 30.300 -0.056 0.000 0.853 385 R HN 0.607 nan 8.270 nan 0.000 0.433 386 Q N -0.806 118.961 119.800 -0.054 0.000 2.084 386 Q HA -0.114 4.218 4.340 -0.014 0.000 0.202 386 Q C 2.172 178.154 176.000 -0.032 0.000 0.978 386 Q CA 1.609 57.391 55.803 -0.034 0.000 0.844 386 Q CB -0.274 28.451 28.738 -0.022 0.000 0.898 386 Q HN 0.495 nan 8.270 nan 0.000 0.426 387 A N 1.255 124.056 122.820 -0.032 0.000 1.883 387 A HA -0.261 4.051 4.320 -0.014 0.000 0.217 387 A C 2.011 179.592 177.584 -0.005 0.000 1.186 387 A CA 1.711 53.739 52.037 -0.015 0.000 0.624 387 A CB -0.963 18.055 19.000 0.030 0.000 0.822 387 A HN 0.438 nan 8.150 nan 0.000 0.444 388 H N -0.138 118.815 119.070 -0.195 0.000 2.387 388 H HA -0.099 4.449 4.556 -0.014 0.000 0.299 388 H C 1.993 177.261 175.328 -0.100 0.000 1.099 388 H CA 2.022 57.947 56.048 -0.204 0.000 1.315 388 H CB -0.175 29.305 29.762 -0.470 0.000 1.380 388 H HN 0.442 nan 8.280 nan 0.000 0.513 389 T N 0.489 115.087 114.554 0.073 0.000 2.777 389 T HA -0.027 4.314 4.350 -0.014 0.000 0.266 389 T C 2.253 176.984 174.700 0.051 0.000 1.040 389 T CA 1.180 63.317 62.100 0.061 0.000 1.141 389 T CB -0.459 68.421 68.868 0.020 0.000 0.868 389 T HN 0.473 nan 8.240 nan 0.000 0.444 390 A N 1.004 123.855 122.820 0.050 0.000 1.902 390 A HA -0.084 4.227 4.320 -0.014 0.000 0.217 390 A C 2.568 180.245 177.584 0.155 0.000 1.181 390 A CA 2.067 54.166 52.037 0.102 0.000 0.623 390 A CB -1.100 17.947 19.000 0.077 0.000 0.818 390 A HN 0.431 nan 8.150 nan 0.000 0.443 391 S N -0.602 115.169 115.700 0.119 0.000 2.359 391 S HA -0.073 4.388 4.470 -0.014 0.000 0.224 391 S C 2.060 176.691 174.600 0.051 0.000 1.035 391 S CA 1.827 60.091 58.200 0.107 0.000 1.018 391 S CB -0.728 62.484 63.200 0.020 0.000 0.876 391 S HN 0.718 nan 8.310 nan 0.000 0.448 392 G N 0.710 109.515 108.800 0.008 0.000 2.432 392 G HA2 -0.211 3.741 3.960 -0.014 0.000 0.219 392 G HA3 -0.211 3.741 3.960 -0.014 0.000 0.219 392 G C 1.439 176.385 174.900 0.076 0.000 1.135 392 G CA 1.017 46.134 45.100 0.029 0.000 0.767 392 G HN 0.579 nan 8.290 nan 0.000 0.550 393 K N 0.418 120.864 120.400 0.077 0.000 2.155 393 K HA 0.188 4.500 4.320 -0.014 0.000 0.203 393 K C 2.686 179.344 176.600 0.097 0.000 1.052 393 K CA 0.948 57.284 56.287 0.081 0.000 0.948 393 K CB -0.185 32.352 32.500 0.063 0.000 0.728 393 K HN 0.206 nan 8.250 nan 0.000 0.448 394 A N 0.403 123.276 122.820 0.088 0.000 1.968 394 A HA -0.048 4.264 4.320 -0.014 0.000 0.217 394 A C 2.101 179.704 177.584 0.032 0.000 1.169 394 A CA 1.063 53.129 52.037 0.047 0.000 0.638 394 A CB -0.310 18.710 19.000 0.034 0.000 0.812 394 A HN 0.143 nan 8.150 nan 0.000 0.446 395 V N -0.509 119.436 119.914 0.051 0.000 2.358 395 V HA -0.227 3.885 4.120 -0.014 0.000 0.246 395 V C 2.524 178.638 176.094 0.034 0.000 1.047 395 V CA 2.034 64.353 62.300 0.031 0.000 1.035 395 V CB -0.904 30.939 31.823 0.034 0.000 0.658 395 V HN 0.760 nan 8.190 nan 0.000 0.452 396 H N -0.245 118.824 119.070 -0.002 0.000 2.353 396 H HA -0.136 4.411 4.556 -0.014 0.000 0.300 396 H C 2.205 177.526 175.328 -0.011 0.000 1.090 396 H CA 2.078 58.124 56.048 -0.003 0.000 1.327 396 H CB 0.019 29.784 29.762 0.005 0.000 1.383 396 H HN 0.333 nan 8.280 nan 0.000 0.508 397 L N 1.162 122.475 121.223 0.150 0.000 2.017 397 L HA -0.083 4.249 4.340 -0.014 0.000 0.208 397 L C 2.674 179.541 176.870 -0.005 0.000 1.073 397 L CA 2.183 57.072 54.840 0.082 0.000 0.745 397 L CB -1.257 40.830 42.059 0.046 0.000 0.894 397 L HN 0.262 nan 8.230 nan 0.000 0.432 398 A N -1.042 121.756 122.820 -0.037 0.000 1.972 398 A HA -0.251 4.061 4.320 -0.014 0.000 0.219 398 A C 2.308 179.843 177.584 -0.080 0.000 1.169 398 A CA 1.721 53.715 52.037 -0.072 0.000 0.635 398 A CB -0.685 18.260 19.000 -0.092 0.000 0.810 398 A HN 0.645 nan 8.150 nan 0.000 0.446 399 E N -0.263 119.876 120.200 -0.101 0.000 2.031 399 E HA -0.192 4.150 4.350 -0.014 0.000 0.193 399 E C 2.172 178.695 176.600 -0.129 0.000 0.994 399 E CA 2.015 58.333 56.400 -0.137 0.000 0.800 399 E CB -0.201 29.364 29.700 -0.225 0.000 0.752 399 E HN 0.735 nan 8.360 nan 0.000 0.447 400 T N -1.131 113.342 114.554 -0.135 0.000 2.881 400 T HA -0.131 4.210 4.350 -0.014 0.000 0.270 400 T C 1.797 176.472 174.700 -0.042 0.000 1.068 400 T CA 1.317 63.372 62.100 -0.074 0.000 1.131 400 T CB -0.144 68.723 68.868 -0.003 0.000 0.871 400 T HN 0.021 nan 8.240 nan 0.000 0.479 401 K N 0.808 121.182 120.400 -0.044 0.000 2.444 401 K HA 0.286 4.598 4.320 -0.014 0.000 0.193 401 K C 1.385 177.956 176.600 -0.048 0.000 1.024 401 K CA 0.471 56.734 56.287 -0.040 0.000 1.077 401 K CB -0.483 31.992 32.500 -0.042 0.000 0.833 401 K HN 0.529 nan 8.250 nan 0.000 0.517 402 G N 1.721 110.488 108.800 -0.055 0.000 2.160 402 G HA2 -0.257 3.695 3.960 -0.014 0.000 0.251 402 G HA3 -0.257 3.695 3.960 -0.014 0.000 0.251 402 G C 0.115 174.980 174.900 -0.059 0.000 1.008 402 G CA 0.862 45.930 45.100 -0.054 0.000 0.724 402 G HN 0.480 nan 8.290 nan 0.000 0.514 403 I N -3.423 117.105 120.570 -0.070 0.000 3.516 403 I HA 0.924 5.085 4.170 -0.014 0.000 0.297 403 I C 0.415 176.476 176.117 -0.094 0.000 1.139 403 I CA -0.677 60.574 61.300 -0.082 0.000 1.020 403 I CB 1.710 39.653 38.000 -0.095 0.000 1.341 403 I HN 0.168 nan 8.210 nan 0.000 0.490 404 T N -0.805 113.680 114.554 -0.115 0.000 2.902 404 T HA 0.406 4.747 4.350 -0.014 0.000 0.283 404 T C 1.346 175.923 174.700 -0.205 0.000 1.009 404 T CA -0.542 61.482 62.100 -0.127 0.000 1.051 404 T CB 1.750 70.553 68.868 -0.109 0.000 0.999 404 T HN 0.781 nan 8.240 nan 0.000 0.474 405 I N 0.951 121.402 120.570 -0.198 0.000 2.300 405 I HA -0.320 3.842 4.170 -0.014 0.000 0.252 405 I C 1.857 177.562 176.117 -0.686 0.000 1.119 405 I CA 2.295 63.427 61.300 -0.280 0.000 1.384 405 I CB -1.025 36.912 38.000 -0.105 0.000 1.062 405 I HN 0.851 nan 8.210 nan 0.000 0.426 406 N N 0.956 119.109 118.700 -0.911 0.000 2.396 406 N HA -0.130 4.602 4.740 -0.014 0.000 0.180 406 N C 1.596 176.652 175.510 -0.757 0.000 1.028 406 N CA 0.340 52.489 53.050 -1.502 0.000 0.893 406 N CB -0.156 37.778 38.487 -0.922 0.000 0.967 406 N HN 0.287 nan 8.380 nan 0.000 0.440 407 K N 0.646 120.780 120.400 -0.445 0.000 2.365 407 K HA 0.156 4.468 4.320 -0.014 0.000 0.197 407 K C 0.487 176.947 176.600 -0.233 0.000 1.042 407 K CA -0.021 56.104 56.287 -0.270 0.000 0.987 407 K CB -0.138 32.253 32.500 -0.182 0.000 0.779 407 K HN 0.296 nan 8.250 nan 0.000 0.484 408 L N 2.641 123.703 121.223 -0.269 0.000 2.525 408 L HA -0.068 4.264 4.340 -0.014 0.000 0.278 408 L C 0.978 177.741 176.870 -0.178 0.000 1.218 408 L CA -0.062 54.658 54.840 -0.200 0.000 0.878 408 L CB 0.106 42.039 42.059 -0.209 0.000 1.127 408 L HN 0.086 nan 8.230 nan 0.000 0.492 409 S N 2.340 117.965 115.700 -0.125 0.000 2.632 409 S HA 0.189 4.650 4.470 -0.014 0.000 0.267 409 S C 0.816 175.360 174.600 -0.095 0.000 1.276 409 S CA -0.850 57.293 58.200 -0.096 0.000 0.998 409 S CB 1.320 64.481 63.200 -0.065 0.000 0.953 409 S HN 0.557 nan 8.310 nan 0.000 0.547 410 L N 1.003 122.186 121.223 -0.066 0.000 2.043 410 L HA -0.089 4.243 4.340 -0.014 0.000 0.212 410 L C 2.269 179.120 176.870 -0.032 0.000 1.075 410 L CA 2.078 56.888 54.840 -0.050 0.000 0.752 410 L CB -1.217 40.835 42.059 -0.012 0.000 0.891 410 L HN 0.837 nan 8.230 nan 0.000 0.432 411 E N -0.251 119.935 120.200 -0.023 0.000 2.077 411 E HA -0.200 4.141 4.350 -0.014 0.000 0.193 411 E C 1.983 178.574 176.600 -0.015 0.000 0.989 411 E CA 1.412 57.808 56.400 -0.007 0.000 0.800 411 E CB -0.389 29.307 29.700 -0.008 0.000 0.746 411 E HN 0.537 nan 8.360 nan 0.000 0.452 412 D N 0.036 120.410 120.400 -0.043 0.000 2.123 412 D HA -0.135 4.497 4.640 -0.014 0.000 0.196 412 D C 1.976 178.240 176.300 -0.061 0.000 0.992 412 D CA 0.886 54.855 54.000 -0.051 0.000 0.833 412 D CB -0.040 40.712 40.800 -0.079 0.000 0.954 412 D HN 0.199 nan 8.370 nan 0.000 0.455 413 L N 0.616 121.766 121.223 -0.123 0.000 2.095 413 L HA -0.091 4.241 4.340 -0.014 0.000 0.204 413 L C 2.519 179.445 176.870 0.095 0.000 1.080 413 L CA 0.734 55.443 54.840 -0.219 0.000 0.759 413 L CB -0.245 41.444 42.059 -0.616 0.000 0.914 413 L HN -0.126 nan 8.230 nan 0.000 0.439 414 K N 0.489 120.954 120.400 0.107 0.000 2.074 414 K HA -0.165 4.146 4.320 -0.014 0.000 0.209 414 K C 2.192 178.875 176.600 0.138 0.000 1.048 414 K CA 1.869 58.258 56.287 0.169 0.000 0.926 414 K CB -0.457 32.102 32.500 0.099 0.000 0.713 414 K HN 0.409 nan 8.250 nan 0.000 0.444 415 S N 0.232 115.983 115.700 0.086 0.000 2.584 415 S HA -0.043 4.419 4.470 -0.014 0.000 0.240 415 S C 1.832 176.483 174.600 0.086 0.000 0.975 415 S CA 0.690 58.930 58.200 0.067 0.000 0.949 415 S CB -0.353 62.870 63.200 0.037 0.000 0.761 415 S HN 0.233 nan 8.310 nan 0.000 0.536 416 I N -0.298 120.359 120.570 0.145 0.000 3.445 416 I HA 0.228 4.390 4.170 -0.014 0.000 0.288 416 I C 0.762 176.990 176.117 0.186 0.000 1.198 416 I CA 0.207 61.611 61.300 0.172 0.000 1.417 416 I CB 0.613 38.752 38.000 0.232 0.000 1.205 416 I HN 0.306 nan 8.210 nan 0.000 0.448 417 S N -0.185 115.669 115.700 0.256 0.000 2.605 417 S HA 0.326 4.788 4.470 -0.014 0.000 0.279 417 S C -2.362 172.309 174.600 0.117 0.000 1.166 417 S CA -0.887 57.368 58.200 0.092 0.000 0.975 417 S CB 1.513 64.620 63.200 -0.154 0.000 1.111 417 S HN -0.227 nan 8.310 nan 0.000 0.465 418 P HA -0.044 nan 4.420 nan 0.000 0.222 418 P C 0.989 178.324 177.300 0.059 0.000 1.147 418 P CA 0.895 64.037 63.100 0.070 0.000 0.790 418 P CB 0.176 31.898 31.700 0.036 0.000 0.780 419 Q N -1.765 118.020 119.800 -0.025 0.000 2.364 419 Q HA -0.042 4.289 4.340 -0.014 0.000 0.209 419 Q C 0.240 176.288 176.000 0.080 0.000 0.977 419 Q CA 0.701 56.476 55.803 -0.047 0.000 0.885 419 Q CB -0.832 27.811 28.738 -0.159 0.000 0.941 419 Q HN 0.252 nan 8.270 nan 0.000 0.464 420 F N 0.271 120.325 119.950 0.173 0.000 2.495 420 F HA 0.201 4.719 4.527 -0.014 0.000 0.365 420 F C 0.633 176.512 175.800 0.131 0.000 1.090 420 F CA -0.154 57.953 58.000 0.179 0.000 1.235 420 F CB 0.747 39.774 39.000 0.045 0.000 1.119 420 F HN -0.260 nan 8.300 nan 0.000 0.562 421 S N 0.035 115.963 115.700 0.380 0.000 2.709 421 S HA 0.240 4.702 4.470 -0.014 0.000 0.302 421 S C 0.764 175.450 174.600 0.143 0.000 1.127 421 S CA -0.284 58.048 58.200 0.221 0.000 0.905 421 S CB 1.665 64.988 63.200 0.205 0.000 1.151 421 S HN 0.617 nan 8.310 nan 0.000 0.510 422 S N 1.123 116.878 115.700 0.093 0.000 2.465 422 S HA -0.183 4.279 4.470 -0.014 0.000 0.241 422 S C 1.196 175.828 174.600 0.053 0.000 1.000 422 S CA 1.689 59.920 58.200 0.053 0.000 0.964 422 S CB -0.685 62.540 63.200 0.041 0.000 0.763 422 S HN 0.828 nan 8.310 nan 0.000 0.512 423 D N 1.325 121.785 120.400 0.100 0.000 2.348 423 D HA -0.012 4.620 4.640 -0.014 0.000 0.216 423 D C 1.709 178.061 176.300 0.087 0.000 0.970 423 D CA 0.536 54.604 54.000 0.113 0.000 0.889 423 D CB -0.613 40.285 40.800 0.164 0.000 0.912 423 D HN 0.403 nan 8.370 nan 0.000 0.524 424 V N 1.298 121.183 119.914 -0.048 0.000 2.913 424 V HA -0.216 3.896 4.120 -0.014 0.000 0.260 424 V C 2.310 178.230 176.094 -0.289 0.000 1.098 424 V CA 2.038 64.068 62.300 -0.450 0.000 1.121 424 V CB -0.799 30.622 31.823 -0.670 0.000 0.714 424 V HN 0.418 nan 8.190 nan 0.000 0.487 425 S N -0.417 115.234 115.700 -0.081 0.000 2.400 425 S HA -0.324 4.138 4.470 -0.014 0.000 0.232 425 S C 1.757 176.341 174.600 -0.027 0.000 1.025 425 S CA 1.794 60.012 58.200 0.030 0.000 0.993 425 S CB -0.580 62.642 63.200 0.037 0.000 0.808 425 S HN 0.792 nan 8.310 nan 0.000 0.478 426 Q N 0.403 120.155 119.800 -0.080 0.000 2.436 426 Q HA 0.082 4.413 4.340 -0.014 0.000 0.209 426 Q C 2.065 177.948 176.000 -0.195 0.000 0.965 426 Q CA 0.883 56.634 55.803 -0.086 0.000 0.910 426 Q CB -0.354 28.364 28.738 -0.034 0.000 0.980 426 Q HN 0.519 nan 8.270 nan 0.000 0.491 427 V N 0.188 119.862 119.914 -0.399 0.000 2.515 427 V HA -0.180 3.931 4.120 -0.014 0.000 0.250 427 V C 0.837 176.531 176.094 -0.667 0.000 1.058 427 V CA 1.339 63.285 62.300 -0.589 0.000 1.064 427 V CB -0.313 30.959 31.823 -0.920 0.000 0.675 427 V HN 0.266 nan 8.190 nan 0.000 0.461 428 F N 1.833 121.665 119.950 -0.196 0.000 2.606 428 F HA 0.400 4.919 4.527 -0.014 0.000 0.347 428 F C 0.549 176.155 175.800 -0.324 0.000 1.207 428 F CA -0.050 57.782 58.000 -0.281 0.000 1.306 428 F CB -0.223 38.648 39.000 -0.214 0.000 1.657 428 F HN 0.110 nan 8.300 nan 0.000 0.606 429 N N 1.048 119.559 118.700 -0.316 0.000 2.493 429 N HA 0.097 4.828 4.740 -0.014 0.000 0.279 429 N C -0.179 175.140 175.510 -0.318 0.000 1.082 429 N CA -0.425 52.471 53.050 -0.258 0.000 0.963 429 N CB 0.716 39.145 38.487 -0.095 0.000 1.627 429 N HN 0.159 nan 8.380 nan 0.000 0.499 430 F N 1.613 121.587 119.950 0.039 0.000 2.407 430 F HA 0.007 4.526 4.527 -0.014 0.000 0.299 430 F C 2.205 178.026 175.800 0.035 0.000 1.097 430 F CA 0.375 58.395 58.000 0.034 0.000 1.422 430 F CB 0.262 39.275 39.000 0.020 0.000 1.067 430 F HN 0.300 nan 8.300 nan 0.000 0.539 431 V N 0.339 120.348 119.914 0.158 0.000 2.323 431 V HA -0.260 3.852 4.120 -0.014 0.000 0.244 431 V C 2.048 178.190 176.094 0.079 0.000 1.041 431 V CA 1.786 64.153 62.300 0.111 0.000 1.025 431 V CB -0.566 31.305 31.823 0.079 0.000 0.656 431 V HN 0.320 nan 8.190 nan 0.000 0.451 432 N N -0.025 118.695 118.700 0.034 0.000 2.289 432 N HA -0.146 4.586 4.740 -0.014 0.000 0.184 432 N C 2.086 177.607 175.510 0.019 0.000 1.016 432 N CA 1.612 54.667 53.050 0.008 0.000 0.872 432 N CB -0.414 38.054 38.487 -0.032 0.000 0.973 432 N HN 0.459 nan 8.380 nan 0.000 0.433 433 S N 0.792 116.517 115.700 0.042 0.000 2.343 433 S HA -0.113 4.348 4.470 -0.014 0.000 0.219 433 S C 2.142 176.872 174.600 0.216 0.000 1.033 433 S CA 1.832 60.092 58.200 0.100 0.000 1.014 433 S CB -0.424 62.863 63.200 0.145 0.000 0.915 433 S HN 0.217 nan 8.310 nan 0.000 0.435 434 V N 0.081 120.134 119.914 0.232 0.000 2.626 434 V HA 0.060 4.171 4.120 -0.014 0.000 0.252 434 V C 1.972 178.230 176.094 0.273 0.000 1.067 434 V CA 1.679 64.156 62.300 0.295 0.000 1.081 434 V CB -0.933 30.994 31.823 0.174 0.000 0.686 434 V HN 0.306 nan 8.190 nan 0.000 0.468 435 E N 0.694 120.979 120.200 0.142 0.000 2.472 435 E HA -0.129 4.212 4.350 -0.014 0.000 0.200 435 E C 2.157 178.768 176.600 0.019 0.000 1.046 435 E CA 0.854 57.302 56.400 0.080 0.000 0.871 435 E CB -0.173 29.554 29.700 0.045 0.000 0.806 435 E HN 0.796 nan 8.360 nan 0.000 0.533 436 Q N -0.639 119.128 119.800 -0.055 0.000 2.230 436 Q HA -0.083 4.249 4.340 -0.014 0.000 0.202 436 Q C 0.146 175.934 176.000 -0.354 0.000 0.963 436 Q CA 0.644 56.281 55.803 -0.277 0.000 0.866 436 Q CB 0.024 28.438 28.738 -0.539 0.000 0.931 436 Q HN 0.355 nan 8.270 nan 0.000 0.452 437 Y N 0.694 121.002 120.300 0.014 0.000 2.826 437 Y HA 0.059 4.601 4.550 -0.014 0.000 0.371 437 Y C 1.427 177.331 175.900 0.007 0.000 1.252 437 Y CA 0.064 58.170 58.100 0.010 0.000 1.813 437 Y CB -0.374 38.095 38.460 0.015 0.000 1.913 437 Y HN 0.095 nan 8.280 nan 0.000 0.447 438 T N -2.586 112.006 114.554 0.063 0.000 3.043 438 T HA 0.198 4.540 4.350 -0.014 0.000 0.263 438 T C 1.181 175.906 174.700 0.041 0.000 1.094 438 T CA 0.198 62.325 62.100 0.045 0.000 1.127 438 T CB -0.066 68.808 68.868 0.011 0.000 0.905 438 T HN 0.423 nan 8.240 nan 0.000 0.490 439 A N 1.885 124.731 122.820 0.044 0.000 2.531 439 A HA 0.455 4.767 4.320 -0.014 0.000 0.236 439 A C 0.460 178.068 177.584 0.041 0.000 1.062 439 A CA -0.507 51.551 52.037 0.035 0.000 0.760 439 A CB -0.444 18.578 19.000 0.037 0.000 0.995 439 A HN 0.612 nan 8.150 nan 0.000 0.501 440 L N 1.307 122.544 121.223 0.023 0.000 2.678 440 L HA 0.069 4.400 4.340 -0.014 0.000 0.285 440 L C 1.438 178.318 176.870 0.017 0.000 1.233 440 L CA 1.335 56.184 54.840 0.016 0.000 0.920 440 L CB -0.326 41.737 42.059 0.007 0.000 1.176 440 L HN 1.442 nan 8.230 nan 0.000 0.495 441 A N 1.987 124.813 122.820 0.010 0.000 3.384 441 A HA -0.135 4.177 4.320 -0.014 0.000 0.260 441 A C 0.928 178.515 177.584 0.004 0.000 1.168 441 A CA 0.602 52.638 52.037 -0.002 0.000 1.253 441 A CB -2.349 16.645 19.000 -0.011 0.000 1.122 441 A HN 0.943 nan 8.150 nan 0.000 0.934 442 G N -1.586 107.238 108.800 0.040 0.000 2.653 442 G HA2 0.426 4.378 3.960 -0.014 0.000 0.265 442 G HA3 0.426 4.378 3.960 -0.014 0.000 0.265 442 G C 0.790 175.716 174.900 0.043 0.000 1.237 442 G CA 0.886 46.027 45.100 0.068 0.000 0.946 442 G HN 0.978 nan 8.290 nan 0.000 0.522 443 T N -0.552 114.017 114.554 0.025 0.000 3.129 443 T HA 0.394 4.736 4.350 -0.014 0.000 0.251 443 T C 1.289 176.043 174.700 0.090 0.000 1.117 443 T CA 0.617 62.728 62.100 0.019 0.000 1.034 443 T CB -0.834 67.997 68.868 -0.061 0.000 0.968 443 T HN 0.815 nan 8.240 nan 0.000 0.526 444 A N 1.121 124.028 122.820 0.144 0.000 2.483 444 A HA 0.291 4.603 4.320 -0.014 0.000 0.238 444 A C 1.579 179.208 177.584 0.075 0.000 1.070 444 A CA -0.046 52.063 52.037 0.121 0.000 0.770 444 A CB 0.136 19.201 19.000 0.109 0.000 1.008 444 A HN 0.546 nan 8.150 nan 0.000 0.497 445 K N 1.155 121.594 120.400 0.065 0.000 2.044 445 K HA -0.211 4.101 4.320 -0.014 0.000 0.210 445 K C 2.183 178.805 176.600 0.038 0.000 1.049 445 K CA 2.278 58.595 56.287 0.050 0.000 0.927 445 K CB -0.262 32.267 32.500 0.048 0.000 0.713 445 K HN 0.896 nan 8.250 nan 0.000 0.443 446 S N -0.145 115.576 115.700 0.035 0.000 2.383 446 S HA -0.188 4.273 4.470 -0.014 0.000 0.229 446 S C 2.133 176.748 174.600 0.024 0.000 1.030 446 S CA 1.758 59.974 58.200 0.026 0.000 1.002 446 S CB -0.529 62.684 63.200 0.023 0.000 0.829 446 S HN 0.392 nan 8.310 nan 0.000 0.467 447 S N 0.757 116.476 115.700 0.031 0.000 2.371 447 S HA -0.006 4.456 4.470 -0.014 0.000 0.224 447 S C 1.839 176.448 174.600 0.015 0.000 1.029 447 S CA 1.038 59.253 58.200 0.025 0.000 0.978 447 S CB -0.608 62.615 63.200 0.039 0.000 0.833 447 S HN 0.415 nan 8.310 nan 0.000 0.466 448 V N 1.613 121.538 119.914 0.018 0.000 2.407 448 V HA -0.125 3.987 4.120 -0.014 0.000 0.248 448 V C 2.664 178.760 176.094 0.004 0.000 1.055 448 V CA 2.250 64.554 62.300 0.007 0.000 1.049 448 V CB -1.318 30.515 31.823 0.016 0.000 0.662 448 V HN 0.550 nan 8.190 nan 0.000 0.455 449 T N -0.496 114.065 114.554 0.012 0.000 2.746 449 T HA -0.184 4.158 4.350 -0.014 0.000 0.267 449 T C 1.975 176.677 174.700 0.004 0.000 1.039 449 T CA 2.054 64.160 62.100 0.010 0.000 1.142 449 T CB -0.365 68.512 68.868 0.014 0.000 0.866 449 T HN 0.534 nan 8.240 nan 0.000 0.444 450 T N 2.273 116.829 114.554 0.004 0.000 2.788 450 T HA -0.117 4.225 4.350 -0.014 0.000 0.268 450 T C 2.130 176.826 174.700 -0.006 0.000 1.044 450 T CA 1.126 63.226 62.100 0.000 0.000 1.139 450 T CB -0.228 68.642 68.868 0.003 0.000 0.867 450 T HN 0.485 nan 8.240 nan 0.000 0.454 451 Q N 0.211 120.005 119.800 -0.010 0.000 2.016 451 Q HA 0.021 4.353 4.340 -0.014 0.000 0.200 451 Q C 2.424 178.411 176.000 -0.022 0.000 0.978 451 Q CA 1.169 56.960 55.803 -0.021 0.000 0.833 451 Q CB -0.359 28.360 28.738 -0.031 0.000 0.895 451 Q HN 0.488 nan 8.270 nan 0.000 0.427 452 I N 0.784 121.343 120.570 -0.019 0.000 2.185 452 I HA -0.315 3.846 4.170 -0.014 0.000 0.246 452 I C 2.214 178.324 176.117 -0.012 0.000 1.088 452 I CA 1.268 62.558 61.300 -0.017 0.000 1.347 452 I CB -0.150 37.844 38.000 -0.009 0.000 1.041 452 I HN 0.200 nan 8.210 nan 0.000 0.415 453 E N 0.394 120.589 120.200 -0.008 0.000 2.158 453 E HA -0.163 4.179 4.350 -0.014 0.000 0.191 453 E C 2.158 178.753 176.600 -0.008 0.000 0.982 453 E CA 0.947 57.344 56.400 -0.006 0.000 0.823 453 E CB 0.021 29.720 29.700 -0.002 0.000 0.766 453 E HN 0.442 nan 8.360 nan 0.000 0.468 454 Q N -0.612 119.181 119.800 -0.011 0.000 2.119 454 Q HA -0.113 4.219 4.340 -0.014 0.000 0.201 454 Q C 1.687 177.678 176.000 -0.015 0.000 0.972 454 Q CA 0.820 56.615 55.803 -0.012 0.000 0.847 454 Q CB 0.013 28.743 28.738 -0.014 0.000 0.903 454 Q HN 0.213 nan 8.270 nan 0.000 0.433 455 L N 0.462 121.673 121.223 -0.019 0.000 2.093 455 L HA -0.126 4.206 4.340 -0.014 0.000 0.208 455 L C 2.157 179.018 176.870 -0.015 0.000 1.085 455 L CA 1.622 56.449 54.840 -0.021 0.000 0.755 455 L CB -0.538 41.503 42.059 -0.031 0.000 0.904 455 L HN 0.087 nan 8.230 nan 0.000 0.435 456 R N -0.944 119.549 120.500 -0.012 0.000 2.096 456 R HA -0.137 4.195 4.340 -0.014 0.000 0.235 456 R C 2.161 178.457 176.300 -0.007 0.000 1.127 456 R CA 0.839 56.934 56.100 -0.008 0.000 0.968 456 R CB -0.109 30.187 30.300 -0.005 0.000 0.861 456 R HN 0.311 nan 8.270 nan 0.000 0.440 457 E N 0.609 120.804 120.200 -0.007 0.000 2.047 457 E HA -0.167 4.175 4.350 -0.014 0.000 0.191 457 E C 1.936 178.532 176.600 -0.007 0.000 0.987 457 E CA 0.961 57.357 56.400 -0.006 0.000 0.799 457 E CB -0.058 29.638 29.700 -0.006 0.000 0.752 457 E HN 0.090 nan 8.360 nan 0.000 0.449 458 L N 0.708 121.927 121.223 -0.008 0.000 2.042 458 L HA -0.133 4.199 4.340 -0.014 0.000 0.210 458 L C 2.427 179.294 176.870 -0.005 0.000 1.076 458 L CA 1.549 56.385 54.840 -0.007 0.000 0.749 458 L CB -0.620 41.434 42.059 -0.009 0.000 0.893 458 L HN 0.182 nan 8.230 nan 0.000 0.432 459 M N -1.378 118.218 119.600 -0.006 0.000 2.296 459 M HA -0.218 4.253 4.480 -0.014 0.000 0.265 459 M C 2.202 178.499 176.300 -0.006 0.000 1.064 459 M CA 1.328 56.625 55.300 -0.005 0.000 1.109 459 M CB -0.310 32.287 32.600 -0.005 0.000 1.396 459 M HN 0.206 nan 8.290 nan 0.000 0.430 460 K N 1.203 121.599 120.400 -0.006 0.000 2.001 460 K HA -0.202 4.110 4.320 -0.014 0.000 0.208 460 K C 2.022 178.617 176.600 -0.008 0.000 1.048 460 K CA 1.484 57.766 56.287 -0.007 0.000 0.932 460 K CB -0.167 32.329 32.500 -0.006 0.000 0.715 460 K HN 0.173 nan 8.250 nan 0.000 0.437 461 K N 0.720 121.116 120.400 -0.007 0.000 2.074 461 K HA -0.238 4.074 4.320 -0.014 0.000 0.209 461 K C 2.046 178.640 176.600 -0.010 0.000 1.048 461 K CA 1.930 58.212 56.287 -0.008 0.000 0.926 461 K CB -0.001 32.495 32.500 -0.006 0.000 0.713 461 K HN 0.279 nan 8.250 nan 0.000 0.444 462 Q N 0.172 119.967 119.800 -0.009 0.000 2.096 462 Q HA -0.089 4.243 4.340 -0.014 0.000 0.197 462 Q C 2.075 178.065 176.000 -0.016 0.000 0.964 462 Q CA 0.970 56.767 55.803 -0.011 0.000 0.838 462 Q CB -0.058 28.677 28.738 -0.005 0.000 0.906 462 Q HN 0.162 nan 8.270 nan 0.000 0.444 463 K N 1.881 122.273 120.400 -0.014 0.000 2.160 463 K HA -0.194 4.118 4.320 -0.014 0.000 0.206 463 K C 0.002 176.589 176.600 -0.021 0.000 1.047 463 K CA 1.242 57.518 56.287 -0.018 0.000 0.930 463 K CB 0.009 32.500 32.500 -0.015 0.000 0.720 463 K HN 0.271 nan 8.250 nan 0.000 0.450 464 E N 2.634 122.823 120.200 -0.018 0.000 2.346 464 E HA 0.007 4.349 4.350 -0.014 0.000 0.317 464 E C -0.156 176.431 176.600 -0.022 0.000 1.404 464 E CA -0.275 56.113 56.400 -0.019 0.000 1.534 464 E CB 0.106 29.797 29.700 -0.015 0.000 1.309 464 E HN 0.328 nan 8.360 nan 0.000 0.499 465 Q N 0.000 119.783 119.800 -0.028 0.000 2.315 465 Q HA 0.000 4.332 4.340 -0.014 0.000 0.214 465 Q CA 0.000 55.783 55.803 -0.033 0.000 1.022 465 Q CB 0.000 28.712 28.738 -0.042 0.000 1.108 465 Q HN 0.000 nan 8.270 nan 0.000 0.481