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 3id8_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLYFQGMKKE KVEQILAEFQ LQEEDLKKVM RRMQKEMDRG LRLETHEEAS DATA SEQUENCE VKMLPTYVRS TPEGSEVGDF LSLDLGGTNF RVMLVKVGEG XXXQWSVKTK DATA SEQUENCE HQMYSIPEDA MTGTAEMLFD YISECISDFL DKHQMKHKKL PLGFTFSFPV DATA SEQUENCE RHEDIDKGIL LNWTKGFKAS GAEGNNVVGL LRDAIKRRGD FEMDVVAMVN DATA SEQUENCE DTVATMISCY YEDHQCEVGM IVGTGCNACY MEEMQNVELV EGDEGRMCVN DATA SEQUENCE TEWGAFGDSG ELDEFLLEYD RLVDESSANP GQQLYEKLIG GKYMGELVRL DATA SEQUENCE VLLRLVDENL LFHGEASEQL RTRGAFETRF VSQVESDTGD RKQIYNILST DATA SEQUENCE LGLRPSTTDC DIVRRACESV STRAAHMCSA GLAGVINRMR ESRSEDVMRI DATA SEQUENCE TVGVDGSVYK LHPSFKERFH ASVRRLTPSC EITFIESEEG SGRGAALVSA DATA SEQUENCE VAC VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.567 175.510 0.094 0.000 1.280 5 N CA 0.000 53.128 53.050 0.129 0.000 0.885 5 N CB 0.000 38.672 38.487 0.308 0.000 1.341 6 L N 2.463 123.715 121.223 0.049 0.000 2.395 6 L HA 0.092 4.475 4.340 0.072 0.000 0.218 6 L C 1.723 178.608 176.870 0.025 0.000 1.130 6 L CA 1.438 56.300 54.840 0.037 0.000 0.826 6 L CB -0.837 41.240 42.059 0.030 0.000 0.941 6 L HN 0.636 nan 8.230 nan 0.000 0.451 7 Y N -0.647 119.548 120.300 -0.174 0.000 2.293 7 Y HA -0.168 4.426 4.550 0.072 0.000 0.291 7 Y C 1.750 177.492 175.900 -0.264 0.000 1.137 7 Y CA 1.527 59.452 58.100 -0.291 0.000 1.202 7 Y CB -0.416 37.745 38.460 -0.497 0.000 0.990 7 Y HN 0.220 nan 8.280 nan 0.000 0.537 8 F N -0.565 119.323 119.950 -0.102 0.000 2.765 8 F HA -0.032 4.538 4.527 0.072 0.000 0.302 8 F C 1.988 177.712 175.800 -0.126 0.000 1.111 8 F CA -0.218 57.678 58.000 -0.174 0.000 1.359 8 F CB 0.214 39.181 39.000 -0.056 0.000 1.097 8 F HN 0.053 nan 8.300 nan 0.000 0.577 9 Q N 0.009 119.838 119.800 0.047 0.000 2.089 9 Q HA 0.031 4.414 4.340 0.072 0.000 0.195 9 Q C 2.538 178.519 176.000 -0.032 0.000 0.963 9 Q CA 1.318 57.128 55.803 0.011 0.000 0.834 9 Q CB -1.001 27.745 28.738 0.013 0.000 0.906 9 Q HN 0.427 nan 8.270 nan 0.000 0.452 10 G N 0.760 109.525 108.800 -0.059 0.000 2.443 10 G HA2 -0.164 3.840 3.960 0.072 0.000 0.219 10 G HA3 -0.164 3.840 3.960 0.072 0.000 0.219 10 G C 1.485 176.328 174.900 -0.095 0.000 1.131 10 G CA 0.342 45.403 45.100 -0.066 0.000 0.775 10 G HN 0.121 nan 8.290 nan 0.000 0.547 11 M N 0.036 119.539 119.600 -0.163 0.000 2.200 11 M HA 0.055 4.578 4.480 0.072 0.000 0.265 11 M C 2.435 178.695 176.300 -0.067 0.000 1.066 11 M CA 0.981 56.193 55.300 -0.148 0.000 1.127 11 M CB -0.450 32.009 32.600 -0.236 0.000 1.379 11 M HN 0.190 nan 8.290 nan 0.000 0.420 12 K N 0.422 120.792 120.400 -0.050 0.000 2.097 12 K HA -0.141 4.223 4.320 0.072 0.000 0.206 12 K C 1.903 178.473 176.600 -0.050 0.000 1.049 12 K CA 1.186 57.446 56.287 -0.046 0.000 0.933 12 K CB 0.034 32.506 32.500 -0.047 0.000 0.717 12 K HN 0.293 nan 8.250 nan 0.000 0.442 13 K N 0.391 120.762 120.400 -0.048 0.000 2.296 13 K HA -0.119 4.244 4.320 0.072 0.000 0.200 13 K C 1.897 178.479 176.600 -0.030 0.000 1.048 13 K CA 0.758 57.020 56.287 -0.042 0.000 0.966 13 K CB 0.183 32.661 32.500 -0.037 0.000 0.754 13 K HN 0.201 nan 8.250 nan 0.000 0.466 14 E N 1.406 121.588 120.200 -0.030 0.000 2.112 14 E HA -0.122 4.271 4.350 0.072 0.000 0.190 14 E C 1.344 177.939 176.600 -0.009 0.000 0.979 14 E CA 0.923 57.313 56.400 -0.017 0.000 0.814 14 E CB 0.317 30.005 29.700 -0.020 0.000 0.762 14 E HN 0.148 nan 8.360 nan 0.000 0.460 15 K N -0.010 120.381 120.400 -0.015 0.000 2.116 15 K HA -0.024 4.339 4.320 0.072 0.000 0.203 15 K C 2.089 178.687 176.600 -0.004 0.000 1.052 15 K CA 0.845 57.128 56.287 -0.007 0.000 0.952 15 K CB 0.172 32.664 32.500 -0.013 0.000 0.729 15 K HN -0.006 nan 8.250 nan 0.000 0.446 16 V N 2.264 122.167 119.914 -0.018 0.000 2.332 16 V HA -0.232 3.931 4.120 0.072 0.000 0.248 16 V C 2.152 178.247 176.094 0.001 0.000 1.055 16 V CA 1.756 64.044 62.300 -0.020 0.000 1.038 16 V CB -0.364 31.429 31.823 -0.049 0.000 0.651 16 V HN 0.296 nan 8.190 nan 0.000 0.450 17 E N -0.119 120.081 120.200 0.001 0.000 2.106 17 E HA -0.222 4.171 4.350 0.072 0.000 0.192 17 E C 2.264 178.885 176.600 0.034 0.000 0.984 17 E CA 1.096 57.505 56.400 0.015 0.000 0.806 17 E CB -0.294 29.411 29.700 0.008 0.000 0.750 17 E HN 0.705 nan 8.360 nan 0.000 0.458 18 Q N 0.117 119.934 119.800 0.030 0.000 2.170 18 Q HA -0.082 4.301 4.340 0.072 0.000 0.203 18 Q C 2.319 178.352 176.000 0.056 0.000 0.976 18 Q CA 0.974 56.799 55.803 0.037 0.000 0.858 18 Q CB -0.085 28.669 28.738 0.026 0.000 0.907 18 Q HN 0.328 nan 8.270 nan 0.000 0.433 19 I N 0.248 120.858 120.570 0.066 0.000 2.277 19 I HA -0.225 3.988 4.170 0.072 0.000 0.243 19 I C 2.069 178.285 176.117 0.166 0.000 1.094 19 I CA 0.837 62.202 61.300 0.108 0.000 1.393 19 I CB -0.221 37.844 38.000 0.108 0.000 1.078 19 I HN 0.178 nan 8.210 nan 0.000 0.417 20 L N 0.935 122.241 121.223 0.138 0.000 2.191 20 L HA -0.171 4.212 4.340 0.072 0.000 0.212 20 L C 2.841 179.842 176.870 0.219 0.000 1.103 20 L CA 1.022 55.974 54.840 0.186 0.000 0.769 20 L CB -0.807 41.286 42.059 0.058 0.000 0.908 20 L HN 0.249 nan 8.230 nan 0.000 0.438 21 A N -0.064 122.837 122.820 0.135 0.000 2.032 21 A HA -0.269 4.095 4.320 0.072 0.000 0.221 21 A C 2.218 179.874 177.584 0.120 0.000 1.165 21 A CA 1.778 53.882 52.037 0.112 0.000 0.645 21 A CB -0.495 18.548 19.000 0.071 0.000 0.807 21 A HN 0.484 nan 8.150 nan 0.000 0.453 22 E N -1.322 118.948 120.200 0.117 0.000 2.209 22 E HA -0.173 4.220 4.350 0.072 0.000 0.196 22 E C 0.984 177.566 176.600 -0.029 0.000 0.993 22 E CA 0.971 57.387 56.400 0.027 0.000 0.819 22 E CB -0.172 29.512 29.700 -0.026 0.000 0.745 22 E HN 0.734 nan 8.360 nan 0.000 0.477 23 F N 1.077 121.071 119.950 0.073 0.000 2.780 23 F HA 0.054 4.625 4.527 0.072 0.000 0.299 23 F C 0.836 176.665 175.800 0.049 0.000 1.146 23 F CA 0.279 58.313 58.000 0.056 0.000 1.428 23 F CB 0.123 39.128 39.000 0.009 0.000 1.115 23 F HN -0.148 nan 8.300 nan 0.000 0.583 24 Q N 1.368 121.284 119.800 0.193 0.000 2.337 24 Q HA 0.377 4.761 4.340 0.072 0.000 0.270 24 Q C -0.755 175.324 176.000 0.132 0.000 1.002 24 Q CA 0.201 56.091 55.803 0.145 0.000 0.888 24 Q CB 0.979 29.784 28.738 0.112 0.000 1.222 24 Q HN 0.247 nan 8.270 nan 0.000 0.400 25 L N 2.788 124.087 121.223 0.128 0.000 2.376 25 L HA 0.291 4.674 4.340 0.072 0.000 0.275 25 L C -0.221 176.686 176.870 0.063 0.000 0.987 25 L CA -1.050 53.842 54.840 0.086 0.000 0.828 25 L CB 1.554 43.631 42.059 0.029 0.000 1.249 25 L HN 0.464 nan 8.230 nan 0.000 0.409 26 Q N 1.488 121.319 119.800 0.053 0.000 2.471 26 Q HA 0.058 4.442 4.340 0.072 0.000 0.223 26 Q C 0.795 176.785 176.000 -0.016 0.000 1.045 26 Q CA -0.081 55.737 55.803 0.024 0.000 0.956 26 Q CB 0.927 29.688 28.738 0.039 0.000 1.249 26 Q HN 0.583 nan 8.270 nan 0.000 0.549 27 E N 0.365 120.545 120.200 -0.033 0.000 2.153 27 E HA -0.183 4.211 4.350 0.072 0.000 0.194 27 E C 0.961 177.538 176.600 -0.038 0.000 0.988 27 E CA 0.771 57.135 56.400 -0.061 0.000 0.811 27 E CB 0.462 30.126 29.700 -0.059 0.000 0.746 27 E HN 0.404 nan 8.360 nan 0.000 0.466 28 E N 0.636 120.832 120.200 -0.007 0.000 2.216 28 E HA -0.121 4.272 4.350 0.072 0.000 0.192 28 E C 1.518 178.142 176.600 0.041 0.000 0.988 28 E CA 0.512 56.921 56.400 0.014 0.000 0.834 28 E CB -0.035 29.680 29.700 0.026 0.000 0.772 28 E HN 0.342 nan 8.360 nan 0.000 0.479 29 D N 0.959 121.391 120.400 0.053 0.000 2.117 29 D HA -0.118 4.565 4.640 0.072 0.000 0.197 29 D C 2.206 178.462 176.300 -0.073 0.000 0.987 29 D CA 0.692 54.737 54.000 0.075 0.000 0.829 29 D CB -0.092 40.753 40.800 0.075 0.000 0.961 29 D HN 0.187 nan 8.370 nan 0.000 0.460 30 L N 0.770 121.935 121.223 -0.096 0.000 2.017 30 L HA -0.152 4.232 4.340 0.072 0.000 0.208 30 L C 2.500 179.325 176.870 -0.075 0.000 1.073 30 L CA 1.106 55.878 54.840 -0.114 0.000 0.745 30 L CB -0.373 41.614 42.059 -0.119 0.000 0.894 30 L HN -0.041 nan 8.230 nan 0.000 0.432 31 K N 0.270 120.642 120.400 -0.047 0.000 2.103 31 K HA -0.248 4.115 4.320 0.072 0.000 0.207 31 K C 2.167 178.764 176.600 -0.006 0.000 1.048 31 K CA 1.430 57.699 56.287 -0.030 0.000 0.930 31 K CB -0.111 32.378 32.500 -0.018 0.000 0.716 31 K HN 0.215 nan 8.250 nan 0.000 0.444 32 K N 1.012 121.430 120.400 0.029 0.000 2.026 32 K HA -0.122 4.241 4.320 0.072 0.000 0.208 32 K C 2.015 178.670 176.600 0.092 0.000 1.048 32 K CA 1.103 57.440 56.287 0.083 0.000 0.929 32 K CB 0.027 32.625 32.500 0.163 0.000 0.713 32 K HN -0.102 nan 8.250 nan 0.000 0.439 33 V N 1.818 121.761 119.914 0.049 0.000 2.287 33 V HA -0.317 3.846 4.120 0.072 0.000 0.248 33 V C 2.463 178.508 176.094 -0.081 0.000 1.053 33 V CA 2.191 64.513 62.300 0.038 0.000 1.027 33 V CB -0.426 31.350 31.823 -0.078 0.000 0.646 33 V HN 0.495 nan 8.190 nan 0.000 0.447 34 M N -0.510 119.028 119.600 -0.103 0.000 2.080 34 M HA -0.237 4.287 4.480 0.072 0.000 0.260 34 M C 2.508 178.744 176.300 -0.107 0.000 1.068 34 M CA 1.968 57.187 55.300 -0.136 0.000 1.109 34 M CB -0.246 32.297 32.600 -0.095 0.000 1.342 34 M HN 0.184 nan 8.290 nan 0.000 0.405 35 R N -0.668 119.805 120.500 -0.044 0.000 2.091 35 R HA -0.191 4.192 4.340 0.072 0.000 0.238 35 R C 2.299 178.598 176.300 -0.001 0.000 1.136 35 R CA 1.797 57.887 56.100 -0.017 0.000 0.959 35 R CB -0.398 29.909 30.300 0.011 0.000 0.856 35 R HN 0.305 nan 8.270 nan 0.000 0.437 36 R N 0.709 121.236 120.500 0.044 0.000 2.090 36 R HA -0.072 4.311 4.340 0.072 0.000 0.228 36 R C 2.136 178.497 176.300 0.101 0.000 1.110 36 R CA 1.337 57.523 56.100 0.142 0.000 0.973 36 R CB -0.264 30.208 30.300 0.287 0.000 0.869 36 R HN 0.090 nan 8.270 nan 0.000 0.440 37 M N 0.268 119.732 119.600 -0.225 0.000 2.132 37 M HA -0.137 4.387 4.480 0.072 0.000 0.263 37 M C 1.811 177.977 176.300 -0.224 0.000 1.065 37 M CA 1.762 56.719 55.300 -0.571 0.000 1.122 37 M CB -0.041 32.010 32.600 -0.915 0.000 1.365 37 M HN 0.176 nan 8.290 nan 0.000 0.411 38 Q N -0.217 119.496 119.800 -0.145 0.000 2.124 38 Q HA -0.236 4.148 4.340 0.072 0.000 0.202 38 Q C 2.140 178.125 176.000 -0.026 0.000 0.977 38 Q CA 1.784 57.540 55.803 -0.079 0.000 0.850 38 Q CB -0.305 28.394 28.738 -0.065 0.000 0.901 38 Q HN 0.607 nan 8.270 nan 0.000 0.429 39 K N 0.614 121.014 120.400 0.000 0.000 2.097 39 K HA -0.166 4.197 4.320 0.072 0.000 0.205 39 K C 1.762 178.395 176.600 0.056 0.000 1.050 39 K CA 1.074 57.382 56.287 0.034 0.000 0.938 39 K CB 0.243 32.774 32.500 0.052 0.000 0.718 39 K HN 0.038 nan 8.250 nan 0.000 0.442 40 E N 0.491 120.739 120.200 0.080 0.000 2.150 40 E HA -0.151 4.242 4.350 0.072 0.000 0.193 40 E C 1.980 178.629 176.600 0.081 0.000 0.985 40 E CA 1.103 57.569 56.400 0.109 0.000 0.814 40 E CB -0.111 29.718 29.700 0.214 0.000 0.752 40 E HN 0.454 nan 8.360 nan 0.000 0.466 41 M N 0.631 120.259 119.600 0.048 0.000 2.086 41 M HA -0.162 4.361 4.480 0.072 0.000 0.261 41 M C 1.822 178.166 176.300 0.073 0.000 1.067 41 M CA 1.245 56.581 55.300 0.060 0.000 1.116 41 M CB -0.209 32.401 32.600 0.017 0.000 1.348 41 M HN -0.070 nan 8.290 nan 0.000 0.407 42 D N 0.308 120.739 120.400 0.051 0.000 2.106 42 D HA -0.164 4.520 4.640 0.072 0.000 0.191 42 D C 2.054 178.393 176.300 0.066 0.000 0.997 42 D CA 1.490 55.522 54.000 0.053 0.000 0.834 42 D CB -0.249 40.573 40.800 0.037 0.000 0.956 42 D HN 0.317 nan 8.370 nan 0.000 0.448 43 R N -0.013 120.527 120.500 0.066 0.000 2.105 43 R HA -0.082 4.301 4.340 0.072 0.000 0.239 43 R C 2.398 178.755 176.300 0.094 0.000 1.135 43 R CA 1.263 57.405 56.100 0.069 0.000 0.967 43 R CB -0.458 29.877 30.300 0.059 0.000 0.861 43 R HN 0.160 nan 8.270 nan 0.000 0.442 44 G N 0.403 109.269 108.800 0.109 0.000 2.448 44 G HA2 -0.169 3.835 3.960 0.072 0.000 0.218 44 G HA3 -0.169 3.835 3.960 0.072 0.000 0.218 44 G C 1.316 176.364 174.900 0.247 0.000 1.135 44 G CA 0.255 45.457 45.100 0.170 0.000 0.784 44 G HN 0.151 nan 8.290 nan 0.000 0.543 45 L N -0.446 120.867 121.223 0.149 0.000 2.313 45 L HA 0.195 4.578 4.340 0.072 0.000 0.214 45 L C 1.393 178.306 176.870 0.071 0.000 1.119 45 L CA 0.142 55.042 54.840 0.101 0.000 0.809 45 L CB 0.025 42.132 42.059 0.079 0.000 0.933 45 L HN 0.021 nan 8.230 nan 0.000 0.449 46 R N -0.122 120.432 120.500 0.090 0.000 2.349 46 R HA 0.123 4.506 4.340 0.072 0.000 0.299 46 R C 0.804 177.153 176.300 0.082 0.000 1.027 46 R CA -0.643 55.496 56.100 0.066 0.000 0.958 46 R CB 1.316 31.650 30.300 0.057 0.000 1.047 46 R HN -0.102 nan 8.270 nan 0.000 0.468 47 L N 2.663 123.912 121.223 0.045 0.000 2.013 47 L HA -0.224 4.159 4.340 0.072 0.000 0.212 47 L C 2.158 179.070 176.870 0.070 0.000 1.073 47 L CA 1.872 56.737 54.840 0.042 0.000 0.753 47 L CB -0.693 41.375 42.059 0.015 0.000 0.890 47 L HN 0.740 nan 8.230 nan 0.000 0.432 48 E N -1.281 118.951 120.200 0.055 0.000 2.118 48 E HA -0.222 4.171 4.350 0.072 0.000 0.195 48 E C 1.518 178.155 176.600 0.061 0.000 0.992 48 E CA 1.934 58.364 56.400 0.050 0.000 0.804 48 E CB 0.151 29.873 29.700 0.037 0.000 0.741 48 E HN 0.662 nan 8.360 nan 0.000 0.458 49 T N -2.761 111.839 114.554 0.076 0.000 3.001 49 T HA 0.024 4.418 4.350 0.072 0.000 0.251 49 T C 1.643 176.394 174.700 0.084 0.000 1.040 49 T CA 0.012 62.154 62.100 0.069 0.000 0.985 49 T CB -0.111 68.791 68.868 0.057 0.000 1.011 49 T HN 0.228 nan 8.240 nan 0.000 0.509 50 H N 2.005 121.094 119.070 0.032 0.000 2.321 50 H HA -0.176 4.423 4.556 0.072 0.000 0.295 50 H C 2.111 177.462 175.328 0.038 0.000 1.102 50 H CA 2.324 58.394 56.048 0.037 0.000 1.266 50 H CB -0.105 29.677 29.762 0.034 0.000 1.363 50 H HN 0.604 nan 8.280 nan 0.000 0.492 51 E N 0.389 120.600 120.200 0.020 0.000 2.110 51 E HA -0.189 4.205 4.350 0.072 0.000 0.193 51 E C 2.100 178.662 176.600 -0.062 0.000 0.988 51 E CA 1.566 57.950 56.400 -0.027 0.000 0.804 51 E CB -0.049 29.678 29.700 0.045 0.000 0.745 51 E HN 0.813 nan 8.360 nan 0.000 0.458 52 E N 0.049 120.228 120.200 -0.035 0.000 2.447 52 E HA 0.125 4.518 4.350 0.072 0.000 0.195 52 E C 0.245 176.825 176.600 -0.034 0.000 1.028 52 E CA 0.224 56.609 56.400 -0.025 0.000 0.876 52 E CB 0.177 29.875 29.700 -0.003 0.000 0.885 52 E HN 0.166 nan 8.360 nan 0.000 0.500 53 A N 1.640 124.426 122.820 -0.058 0.000 2.511 53 A HA 0.133 4.496 4.320 0.072 0.000 0.242 53 A C 1.275 178.842 177.584 -0.028 0.000 1.069 53 A CA 0.321 52.340 52.037 -0.031 0.000 0.763 53 A CB 0.550 19.531 19.000 -0.030 0.000 1.001 53 A HN 0.391 nan 8.150 nan 0.000 0.498 54 S N 1.563 117.278 115.700 0.025 0.000 2.446 54 S HA 0.025 4.538 4.470 0.072 0.000 0.225 54 S C 0.456 175.115 174.600 0.098 0.000 1.016 54 S CA 0.785 59.014 58.200 0.048 0.000 0.943 54 S CB -0.295 62.930 63.200 0.041 0.000 0.786 54 S HN 0.520 nan 8.310 nan 0.000 0.508 55 V N 3.482 123.472 119.914 0.127 0.000 2.334 55 V HA 0.320 4.483 4.120 0.072 0.000 0.267 55 V C 0.807 176.963 176.094 0.103 0.000 1.040 55 V CA -0.560 61.829 62.300 0.149 0.000 0.866 55 V CB 1.090 33.017 31.823 0.173 0.000 1.019 55 V HN 0.253 nan 8.190 nan 0.000 0.468 56 K N 3.692 124.150 120.400 0.096 0.000 2.296 56 K HA 0.146 4.510 4.320 0.072 0.000 0.200 56 K C 0.866 177.591 176.600 0.209 0.000 1.048 56 K CA 0.252 56.587 56.287 0.081 0.000 0.966 56 K CB -0.069 32.479 32.500 0.080 0.000 0.754 56 K HN 0.670 nan 8.250 nan 0.000 0.466 57 M N 0.597 120.300 119.600 0.172 0.000 2.350 57 M HA -0.213 4.311 4.480 0.072 0.000 0.190 57 M C -0.755 175.624 176.300 0.131 0.000 0.710 57 M CA 0.624 56.020 55.300 0.160 0.000 0.495 57 M CB -2.631 30.074 32.600 0.174 0.000 1.136 57 M HN -0.005 nan 8.290 nan 0.000 0.901 58 L N 2.057 123.351 121.223 0.118 0.000 2.313 58 L HA 0.328 4.712 4.340 0.072 0.000 0.282 58 L C -1.524 175.353 176.870 0.012 0.000 1.092 58 L CA -1.703 53.200 54.840 0.106 0.000 0.831 58 L CB 0.428 42.579 42.059 0.154 0.000 1.159 58 L HN 0.093 nan 8.230 nan 0.000 0.442 59 P HA 0.006 nan 4.420 nan 0.000 0.266 59 P C 0.508 177.737 177.300 -0.118 0.000 1.195 59 P CA -0.027 62.966 63.100 -0.178 0.000 0.768 59 P CB 0.703 32.222 31.700 -0.301 0.000 0.838 60 T N -1.358 113.050 114.554 -0.242 0.000 2.985 60 T HA 0.092 4.486 4.350 0.072 0.000 0.254 60 T C 0.470 175.034 174.700 -0.227 0.000 1.021 60 T CA -0.074 61.831 62.100 -0.324 0.000 0.957 60 T CB -0.742 67.969 68.868 -0.262 0.000 1.047 60 T HN 0.279 nan 8.240 nan 0.000 0.511 61 Y N 0.096 120.253 120.300 -0.238 0.000 4.604 61 Y HA -0.194 4.398 4.550 0.071 0.000 0.230 61 Y C 0.127 175.933 175.900 -0.156 0.000 1.066 61 Y CA 0.193 58.193 58.100 -0.166 0.000 1.990 61 Y CB -2.318 36.067 38.460 -0.125 0.000 1.619 61 Y HN 0.232 nan 8.280 nan 0.000 0.649 62 V N 2.253 122.104 119.914 -0.104 0.000 2.339 62 V HA 0.217 4.381 4.120 0.072 0.000 0.261 62 V C 0.706 176.712 176.094 -0.145 0.000 1.058 62 V CA -0.273 61.959 62.300 -0.113 0.000 0.897 62 V CB 0.797 32.540 31.823 -0.133 0.000 1.052 62 V HN 0.108 nan 8.190 nan 0.000 0.480 63 R N 2.906 123.335 120.500 -0.118 0.000 2.500 63 R HA 0.364 4.747 4.340 0.072 0.000 0.275 63 R C 1.464 177.675 176.300 -0.148 0.000 1.051 63 R CA 0.117 56.138 56.100 -0.131 0.000 1.088 63 R CB 1.163 31.407 30.300 -0.094 0.000 1.063 63 R HN 0.849 nan 8.270 nan 0.000 0.511 64 S N 1.256 116.864 115.700 -0.154 0.000 2.419 64 S HA -0.215 4.299 4.470 0.072 0.000 0.446 64 S C 0.776 175.258 174.600 -0.197 0.000 1.104 64 S CA 1.377 59.473 58.200 -0.173 0.000 2.562 64 S CB -1.098 62.020 63.200 -0.136 0.000 1.672 64 S HN 0.766 nan 8.310 nan 0.000 0.409 65 T N 1.652 116.112 114.554 -0.158 0.000 2.897 65 T HA 0.684 5.077 4.350 0.072 0.000 0.294 65 T C -2.351 172.283 174.700 -0.111 0.000 1.004 65 T CA -1.393 60.614 62.100 -0.154 0.000 1.106 65 T CB 0.800 69.603 68.868 -0.110 0.000 0.949 65 T HN 0.483 nan 8.240 nan 0.000 0.520 66 P HA 0.645 nan 4.420 nan 0.000 0.304 66 P C -0.141 177.139 177.300 -0.032 0.000 1.310 66 P CA -0.783 62.282 63.100 -0.059 0.000 0.796 66 P CB 1.061 32.730 31.700 -0.052 0.000 1.297 67 E N -0.763 119.426 120.200 -0.019 0.000 3.769 67 E HA 0.537 4.930 4.350 0.072 0.000 0.318 67 E C 0.417 177.018 176.600 0.002 0.000 0.894 67 E CA -0.490 55.906 56.400 -0.007 0.000 1.973 67 E CB -0.703 28.994 29.700 -0.004 0.000 1.858 67 E HN 0.554 nan 8.360 nan 0.000 0.628 68 G N -0.172 108.631 108.800 0.006 0.000 2.415 68 G HA2 0.407 4.411 3.960 0.072 0.000 0.269 68 G HA3 0.407 4.411 3.960 0.072 0.000 0.269 68 G C -0.586 174.318 174.900 0.006 0.000 1.209 68 G CA -0.413 44.693 45.100 0.010 0.000 0.835 68 G HN 0.299 nan 8.290 nan 0.000 0.534 69 S N 1.472 117.172 115.700 -0.001 0.000 2.565 69 S HA 0.502 5.016 4.470 0.072 0.000 0.290 69 S C -0.004 174.597 174.600 0.001 0.000 1.150 69 S CA -0.946 57.249 58.200 -0.009 0.000 1.058 69 S CB 1.848 65.019 63.200 -0.047 0.000 1.032 69 S HN 0.701 nan 8.310 nan 0.000 0.510 70 E N 1.040 121.266 120.200 0.043 0.000 2.409 70 E HA 0.357 4.751 4.350 0.072 0.000 0.257 70 E C 0.498 177.146 176.600 0.080 0.000 1.150 70 E CA -0.706 55.739 56.400 0.075 0.000 0.942 70 E CB 0.287 30.061 29.700 0.123 0.000 0.979 70 E HN 0.610 nan 8.360 nan 0.000 0.447 71 V N -3.506 116.443 119.914 0.059 0.000 3.096 71 V HA 0.895 5.059 4.120 0.072 0.000 0.319 71 V C 0.539 176.685 176.094 0.087 0.000 1.103 71 V CA 0.213 62.523 62.300 0.016 0.000 1.016 71 V CB 0.888 32.663 31.823 -0.081 0.000 1.090 71 V HN 1.059 nan 8.190 nan 0.000 0.449 72 G N 1.535 110.371 108.800 0.060 0.000 2.358 72 G HA2 -0.028 3.975 3.960 0.072 0.000 0.198 72 G HA3 -0.028 3.975 3.960 0.072 0.000 0.198 72 G C -1.355 173.604 174.900 0.098 0.000 1.220 72 G CA 0.052 45.176 45.100 0.040 0.000 1.187 72 G HN 0.975 nan 8.290 nan 0.000 0.544 73 D N 0.683 121.040 120.400 -0.070 0.000 2.233 73 D HA 0.741 5.424 4.640 0.072 0.000 0.240 73 D C -0.588 175.540 176.300 -0.287 0.000 1.074 73 D CA 0.245 54.218 54.000 -0.045 0.000 0.838 73 D CB 1.010 41.790 40.800 -0.034 0.000 1.124 73 D HN 0.286 nan 8.370 nan 0.000 0.475 74 F N 1.056 121.015 119.950 0.015 0.000 2.593 74 F HA 0.500 5.060 4.527 0.055 0.000 0.320 74 F C -0.530 175.289 175.800 0.031 0.000 1.060 74 F CA -1.154 56.855 58.000 0.016 0.000 0.940 74 F CB 1.393 40.392 39.000 -0.000 0.000 1.268 74 F HN 0.059 nan 8.300 nan 0.000 0.475 75 L N 1.555 122.892 121.223 0.190 0.000 2.325 75 L HA 0.606 4.990 4.340 0.072 0.000 0.281 75 L C -0.597 176.330 176.870 0.095 0.000 1.004 75 L CA 0.060 54.965 54.840 0.107 0.000 0.823 75 L CB 1.351 43.450 42.059 0.065 0.000 1.236 75 L HN 0.500 nan 8.230 nan 0.000 0.415 76 S N 5.177 120.903 115.700 0.043 0.000 2.525 76 S HA 0.742 5.255 4.470 0.072 0.000 0.290 76 S C -0.563 174.026 174.600 -0.017 0.000 1.152 76 S CA -0.538 57.689 58.200 0.045 0.000 1.072 76 S CB 0.982 64.205 63.200 0.037 0.000 1.027 76 S HN 0.491 nan 8.310 nan 0.000 0.500 77 L N 2.263 123.540 121.223 0.089 0.000 2.342 77 L HA 0.654 5.037 4.340 0.072 0.000 0.271 77 L C -0.521 176.496 176.870 0.245 0.000 1.008 77 L CA -0.753 54.143 54.840 0.094 0.000 0.818 77 L CB 1.489 43.681 42.059 0.221 0.000 1.296 77 L HN 0.505 nan 8.230 nan 0.000 0.427 78 D N 2.822 123.282 120.400 0.101 0.000 2.575 78 D HA 0.373 5.057 4.640 0.072 0.000 0.250 78 D C -1.869 174.669 176.300 0.397 0.000 1.279 78 D CA -0.331 53.799 54.000 0.217 0.000 0.925 78 D CB 2.305 43.129 40.800 0.041 0.000 1.261 78 D HN 0.263 nan 8.370 nan 0.000 0.567 79 L N 3.466 125.038 121.223 0.582 0.000 2.333 79 L HA 0.799 5.182 4.340 0.072 0.000 0.280 79 L C 0.547 177.543 176.870 0.210 0.000 1.004 79 L CA 0.200 55.398 54.840 0.597 0.000 0.820 79 L CB 1.717 44.289 42.059 0.856 0.000 1.247 79 L HN 0.581 nan 8.230 nan 0.000 0.416 80 G N 2.291 111.160 108.800 0.115 0.000 4.320 80 G HA2 0.213 4.216 3.960 0.072 0.000 0.150 80 G HA3 0.213 4.216 3.960 0.072 0.000 0.150 80 G C 0.240 175.101 174.900 -0.065 0.000 0.889 80 G CA 0.330 45.264 45.100 -0.276 0.000 0.877 80 G HN 1.028 nan 8.290 nan 0.000 0.425 81 G N 0.252 109.137 108.800 0.142 0.000 2.945 81 G HA2 0.433 4.436 3.960 0.072 0.000 0.156 81 G HA3 0.433 4.436 3.960 0.072 0.000 0.156 81 G C 1.080 176.169 174.900 0.316 0.000 1.375 81 G CA 1.163 46.372 45.100 0.181 0.000 1.039 81 G HN 0.552 nan 8.290 nan 0.000 0.586 82 T N -1.454 113.203 114.554 0.172 0.000 3.069 82 T HA 0.246 4.640 4.350 0.072 0.000 0.252 82 T C 0.348 175.130 174.700 0.135 0.000 1.053 82 T CA -0.182 61.984 62.100 0.111 0.000 0.964 82 T CB -0.247 68.636 68.868 0.026 0.000 1.005 82 T HN 0.334 nan 8.240 nan 0.000 0.532 83 N N 0.477 119.290 118.700 0.189 0.000 2.240 83 N HA 0.599 5.382 4.740 0.072 0.000 0.302 83 N C -1.946 173.767 175.510 0.339 0.000 1.106 83 N CA -0.931 52.260 53.050 0.234 0.000 0.778 83 N CB 1.976 40.552 38.487 0.148 0.000 1.431 83 N HN 0.243 nan 8.380 nan 0.000 0.479 84 F N 1.310 121.410 119.950 0.249 0.000 2.458 84 F HA 0.559 5.133 4.527 0.079 0.000 0.336 84 F C -0.572 175.380 175.800 0.253 0.000 1.114 84 F CA -0.686 57.471 58.000 0.261 0.000 0.987 84 F CB 0.908 40.079 39.000 0.285 0.000 1.130 84 F HN 0.284 nan 8.300 nan 0.000 0.458 85 R N 4.929 125.067 120.500 -0.604 0.000 2.599 85 R HA 0.724 5.108 4.340 0.072 0.000 0.295 85 R C -1.623 174.259 176.300 -0.697 0.000 0.963 85 R CA -1.132 54.692 56.100 -0.460 0.000 0.883 85 R CB 2.316 32.505 30.300 -0.184 0.000 1.171 85 R HN 0.477 nan 8.270 nan 0.000 0.450 86 V N 3.844 123.469 119.914 -0.482 0.000 2.604 86 V HA 0.629 4.793 4.120 0.072 0.000 0.305 86 V C -0.163 175.600 176.094 -0.551 0.000 1.043 86 V CA -0.847 61.107 62.300 -0.577 0.000 0.888 86 V CB 1.602 33.002 31.823 -0.705 0.000 0.995 86 V HN 0.870 nan 8.190 nan 0.000 0.429 87 M N 4.656 123.992 119.600 -0.440 0.000 2.465 87 M HA 0.789 5.312 4.480 0.072 0.000 0.284 87 M C -2.307 173.960 176.300 -0.054 0.000 1.212 87 M CA -0.752 54.432 55.300 -0.194 0.000 0.910 87 M CB 2.319 34.908 32.600 -0.018 0.000 1.725 87 M HN 0.497 nan 8.290 nan 0.000 0.477 88 L N 3.788 125.092 121.223 0.135 0.000 2.272 88 L HA 0.831 5.214 4.340 0.072 0.000 0.289 88 L C -1.463 175.492 176.870 0.142 0.000 1.032 88 L CA -0.450 54.496 54.840 0.176 0.000 0.810 88 L CB 1.676 43.876 42.059 0.234 0.000 1.205 88 L HN 0.714 nan 8.230 nan 0.000 0.422 89 V N 4.796 124.801 119.914 0.152 0.000 2.604 89 V HA 0.581 4.745 4.120 0.072 0.000 0.305 89 V C -0.792 175.408 176.094 0.176 0.000 1.043 89 V CA -0.762 61.624 62.300 0.144 0.000 0.888 89 V CB 1.828 33.710 31.823 0.099 0.000 0.995 89 V HN 0.906 nan 8.190 nan 0.000 0.429 90 K N 4.646 125.144 120.400 0.163 0.000 2.253 90 K HA 0.686 5.050 4.320 0.072 0.000 0.277 90 K C -1.213 175.393 176.600 0.011 0.000 1.053 90 K CA -0.481 55.897 56.287 0.151 0.000 0.892 90 K CB 1.555 34.188 32.500 0.222 0.000 1.102 90 K HN 0.709 nan 8.250 nan 0.000 0.469 91 V N 3.181 123.024 119.914 -0.118 0.000 2.472 91 V HA 0.717 4.880 4.120 0.072 0.000 0.290 91 V C 0.437 176.050 176.094 -0.803 0.000 1.037 91 V CA -0.419 61.619 62.300 -0.436 0.000 0.908 91 V CB 1.539 33.170 31.823 -0.320 0.000 0.985 91 V HN 0.971 nan 8.190 nan 0.000 0.454 92 G N 2.937 110.796 108.800 -1.570 0.000 2.695 92 G HA2 0.595 4.599 3.960 0.072 0.000 0.290 92 G HA3 0.595 4.599 3.960 0.072 0.000 0.290 92 G C -1.052 173.079 174.900 -1.281 0.000 1.410 92 G CA -0.593 43.520 45.100 -1.644 0.000 0.844 92 G HN 0.623 nan 8.290 nan 0.000 0.478 93 E N 0.204 120.148 120.200 -0.426 0.000 2.259 93 E HA 0.598 4.992 4.350 0.072 0.000 0.281 93 E C 0.138 176.882 176.600 0.240 0.000 1.037 93 E CA -0.265 56.087 56.400 -0.079 0.000 0.854 93 E CB 1.354 31.062 29.700 0.013 0.000 1.051 93 E HN 1.140 nan 8.360 nan 0.000 0.409 99 W N 2.690 123.859 121.300 -0.219 0.000 2.237 99 W HA 0.750 5.422 4.660 0.019 0.000 0.335 99 W C -0.288 176.124 176.519 -0.178 0.000 1.230 99 W CA -0.033 57.202 57.345 -0.184 0.000 1.253 99 W CB 0.581 29.996 29.460 -0.075 0.000 1.129 99 W HN 0.274 nan 8.180 nan 0.000 0.590 100 S N 1.739 117.590 115.700 0.251 0.000 2.543 100 S HA 0.559 5.073 4.470 0.072 0.000 0.271 100 S C -1.725 173.017 174.600 0.237 0.000 1.148 100 S CA -0.917 57.374 58.200 0.152 0.000 0.914 100 S CB 1.753 64.913 63.200 -0.068 0.000 1.096 100 S HN 0.855 nan 8.310 nan 0.000 0.471 101 V N 2.712 122.780 119.914 0.257 0.000 2.709 101 V HA 0.606 4.770 4.120 0.072 0.000 0.308 101 V C -0.630 175.550 176.094 0.144 0.000 1.062 101 V CA -0.776 61.641 62.300 0.195 0.000 0.901 101 V CB 1.786 33.738 31.823 0.214 0.000 1.003 101 V HN 1.065 nan 8.190 nan 0.000 0.425 102 K N 4.015 124.480 120.400 0.109 0.000 2.378 102 K HA 0.270 4.633 4.320 0.072 0.000 0.288 102 K C 0.410 177.083 176.600 0.122 0.000 1.057 102 K CA 0.323 56.675 56.287 0.109 0.000 0.971 102 K CB 1.143 33.695 32.500 0.086 0.000 0.975 102 K HN 0.930 nan 8.250 nan 0.000 0.475 103 T N 3.237 117.864 114.554 0.121 0.000 3.053 103 T HA 0.096 4.490 4.350 0.072 0.000 0.236 103 T C -0.161 174.574 174.700 0.059 0.000 0.996 103 T CA 0.507 62.660 62.100 0.088 0.000 1.185 103 T CB 0.191 69.103 68.868 0.073 0.000 0.892 103 T HN 0.347 nan 8.240 nan 0.000 0.432 104 K N 1.318 121.754 120.400 0.059 0.000 2.371 104 K HA 0.586 4.949 4.320 0.072 0.000 0.251 104 K C -1.357 175.356 176.600 0.189 0.000 0.934 104 K CA -0.787 55.479 56.287 -0.034 0.000 0.798 104 K CB 1.506 33.796 32.500 -0.349 0.000 1.204 104 K HN 0.604 nan 8.250 nan 0.000 0.427 105 H N -0.799 118.385 119.070 0.190 0.000 2.930 105 H HA 0.723 5.315 4.556 0.059 0.000 0.371 105 H C -1.385 174.071 175.328 0.213 0.000 1.169 105 H CA -0.957 55.179 56.048 0.147 0.000 1.157 105 H CB 1.751 31.541 29.762 0.046 0.000 1.789 105 H HN 0.383 nan 8.280 nan 0.000 0.547 106 Q N 2.235 122.147 119.800 0.187 0.000 2.378 106 Q HA 0.320 4.703 4.340 0.072 0.000 0.262 106 Q C -1.802 174.112 176.000 -0.143 0.000 0.978 106 Q CA -0.752 55.085 55.803 0.056 0.000 0.918 106 Q CB 2.631 31.500 28.738 0.219 0.000 1.415 106 Q HN 0.835 nan 8.270 nan 0.000 0.409 107 M N 3.436 122.889 119.600 -0.246 0.000 2.364 107 M HA 0.537 5.061 4.480 0.072 0.000 0.334 107 M C -1.897 174.188 176.300 -0.357 0.000 1.107 107 M CA -0.546 54.644 55.300 -0.184 0.000 0.988 107 M CB 1.023 33.590 32.600 -0.055 0.000 1.673 107 M HN 0.711 nan 8.290 nan 0.000 0.441 108 Y N 1.668 122.063 120.300 0.158 0.000 2.391 108 Y HA 0.379 4.970 4.550 0.070 0.000 0.341 108 Y C 0.161 176.231 175.900 0.283 0.000 0.965 108 Y CA -0.695 57.550 58.100 0.242 0.000 1.067 108 Y CB 2.082 40.722 38.460 0.301 0.000 1.199 108 Y HN 0.643 nan 8.280 nan 0.000 0.450 109 S N 3.710 119.622 115.700 0.353 0.000 2.531 109 S HA 0.430 4.943 4.470 0.072 0.000 0.279 109 S C -0.374 174.356 174.600 0.217 0.000 1.305 109 S CA -0.449 57.888 58.200 0.228 0.000 1.058 109 S CB -0.136 63.143 63.200 0.131 0.000 0.899 109 S HN 0.538 nan 8.310 nan 0.000 0.493 110 I N 6.647 127.267 120.570 0.083 0.000 2.325 110 I HA 0.285 4.498 4.170 0.072 0.000 0.291 110 I C -2.042 173.895 176.117 -0.299 0.000 1.019 110 I CA -2.374 58.836 61.300 -0.150 0.000 1.302 110 I CB 1.110 39.059 38.000 -0.086 0.000 1.401 110 I HN 0.475 nan 8.210 nan 0.000 0.485 111 P HA 0.047 nan 4.420 nan 0.000 0.267 111 P C 0.105 177.214 177.300 -0.318 0.000 1.209 111 P CA -0.096 62.783 63.100 -0.368 0.000 0.763 111 P CB 0.537 31.970 31.700 -0.444 0.000 0.816 112 E N 2.199 122.260 120.200 -0.231 0.000 2.147 112 E HA -0.256 4.137 4.350 0.072 0.000 0.199 112 E C 1.287 177.750 176.600 -0.229 0.000 1.005 112 E CA 1.772 58.039 56.400 -0.222 0.000 0.810 112 E CB -0.839 28.766 29.700 -0.158 0.000 0.736 112 E HN 0.612 nan 8.360 nan 0.000 0.460 113 D N 0.169 120.451 120.400 -0.196 0.000 2.378 113 D HA -0.049 4.635 4.640 0.072 0.000 0.222 113 D C 1.241 177.429 176.300 -0.186 0.000 0.980 113 D CA 1.076 54.977 54.000 -0.164 0.000 0.907 113 D CB 0.107 40.834 40.800 -0.122 0.000 0.899 113 D HN 0.263 nan 8.370 nan 0.000 0.527 114 A N -0.085 122.579 122.820 -0.259 0.000 2.288 114 A HA 0.210 4.573 4.320 0.072 0.000 0.216 114 A C 2.185 179.563 177.584 -0.343 0.000 1.199 114 A CA -0.205 51.675 52.037 -0.262 0.000 0.891 114 A CB 0.077 18.888 19.000 -0.315 0.000 0.923 114 A HN 0.033 nan 8.150 nan 0.000 0.500 115 M N 0.095 119.434 119.600 -0.435 0.000 2.287 115 M HA -0.011 4.513 4.480 0.072 0.000 0.266 115 M C 1.585 177.559 176.300 -0.542 0.000 1.079 115 M CA 1.989 56.890 55.300 -0.665 0.000 1.146 115 M CB -0.852 31.345 32.600 -0.672 0.000 1.374 115 M HN 0.547 nan 8.290 nan 0.000 0.435 116 T N -3.371 110.979 114.554 -0.340 0.000 3.145 116 T HA 0.418 4.811 4.350 0.072 0.000 0.281 116 T C 0.903 175.518 174.700 -0.142 0.000 1.003 116 T CA 0.033 61.995 62.100 -0.231 0.000 0.901 116 T CB 0.102 68.862 68.868 -0.179 0.000 1.112 116 T HN 0.230 nan 8.240 nan 0.000 0.535 117 G N 2.159 110.876 108.800 -0.138 0.000 3.286 117 G HA2 0.505 4.508 3.960 0.072 0.000 0.173 117 G HA3 0.505 4.508 3.960 0.072 0.000 0.173 117 G C 0.201 175.087 174.900 -0.022 0.000 1.704 117 G CA 0.154 45.212 45.100 -0.071 0.000 1.041 117 G HN 0.597 nan 8.290 nan 0.000 0.561 118 T N -2.679 111.881 114.554 0.011 0.000 2.934 118 T HA 0.569 4.963 4.350 0.072 0.000 0.283 118 T C 1.490 176.269 174.700 0.132 0.000 1.005 118 T CA 0.419 62.563 62.100 0.073 0.000 1.041 118 T CB 1.637 70.546 68.868 0.070 0.000 1.042 118 T HN 0.737 nan 8.240 nan 0.000 0.505 119 A N 0.552 123.509 122.820 0.227 0.000 1.883 119 A HA -0.122 4.241 4.320 0.072 0.000 0.217 119 A C 2.239 180.042 177.584 0.364 0.000 1.186 119 A CA 2.073 54.342 52.037 0.386 0.000 0.624 119 A CB -1.295 17.936 19.000 0.385 0.000 0.822 119 A HN 1.067 nan 8.150 nan 0.000 0.444 120 E N -0.673 119.657 120.200 0.216 0.000 2.086 120 E HA -0.293 4.100 4.350 0.072 0.000 0.205 120 E C 2.065 178.754 176.600 0.148 0.000 1.027 120 E CA 2.017 58.514 56.400 0.162 0.000 0.830 120 E CB -0.246 29.511 29.700 0.095 0.000 0.751 120 E HN 0.681 nan 8.360 nan 0.000 0.456 121 M N -0.083 119.578 119.600 0.101 0.000 2.080 121 M HA -0.195 4.328 4.480 0.072 0.000 0.260 121 M C 2.462 178.793 176.300 0.053 0.000 1.068 121 M CA 1.150 56.484 55.300 0.057 0.000 1.109 121 M CB -0.320 32.284 32.600 0.007 0.000 1.342 121 M HN 0.231 nan 8.290 nan 0.000 0.405 122 L N -0.090 121.151 121.223 0.030 0.000 1.989 122 L HA -0.167 4.216 4.340 0.072 0.000 0.211 122 L C 1.964 178.749 176.870 -0.142 0.000 1.071 122 L CA 2.078 56.862 54.840 -0.092 0.000 0.749 122 L CB -0.686 41.266 42.059 -0.179 0.000 0.890 122 L HN 0.145 nan 8.230 nan 0.000 0.431 123 F N -0.421 119.562 119.950 0.055 0.000 2.456 123 F HA -0.091 4.479 4.527 0.071 0.000 0.298 123 F C 2.168 177.945 175.800 -0.039 0.000 1.104 123 F CA 0.832 58.830 58.000 -0.004 0.000 1.435 123 F CB -0.554 38.455 39.000 0.015 0.000 1.078 123 F HN 0.151 nan 8.300 nan 0.000 0.546 124 D N -0.510 119.977 120.400 0.146 0.000 2.092 124 D HA -0.262 4.422 4.640 0.072 0.000 0.193 124 D C 2.001 178.315 176.300 0.024 0.000 0.994 124 D CA 1.414 55.458 54.000 0.074 0.000 0.828 124 D CB -0.742 40.105 40.800 0.079 0.000 0.963 124 D HN 0.331 nan 8.370 nan 0.000 0.450 125 Y N 1.097 121.339 120.300 -0.096 0.000 2.165 125 Y HA -0.185 4.409 4.550 0.074 0.000 0.286 125 Y C 2.260 178.014 175.900 -0.242 0.000 1.155 125 Y CA 1.328 59.341 58.100 -0.146 0.000 1.164 125 Y CB -0.208 38.163 38.460 -0.148 0.000 0.978 125 Y HN -0.064 nan 8.280 nan 0.000 0.513 126 I N -0.839 119.527 120.570 -0.341 0.000 2.208 126 I HA -0.370 3.844 4.170 0.072 0.000 0.245 126 I C 2.420 178.284 176.117 -0.421 0.000 1.097 126 I CA 1.690 62.600 61.300 -0.651 0.000 1.363 126 I CB -0.524 37.067 38.000 -0.681 0.000 1.051 126 I HN 0.169 nan 8.210 nan 0.000 0.413 127 S N -0.149 115.412 115.700 -0.231 0.000 2.383 127 S HA -0.205 4.309 4.470 0.072 0.000 0.227 127 S C 1.924 176.431 174.600 -0.156 0.000 1.026 127 S CA 1.138 59.252 58.200 -0.143 0.000 0.981 127 S CB -0.226 62.937 63.200 -0.062 0.000 0.818 127 S HN 0.455 nan 8.310 nan 0.000 0.472 128 E N 0.453 120.527 120.200 -0.210 0.000 2.051 128 E HA -0.186 4.207 4.350 0.072 0.000 0.192 128 E C 2.033 178.454 176.600 -0.299 0.000 0.991 128 E CA 1.463 57.735 56.400 -0.214 0.000 0.799 128 E CB -0.177 29.394 29.700 -0.216 0.000 0.748 128 E HN 0.512 nan 8.360 nan 0.000 0.449 129 C N 0.464 119.447 119.300 -0.529 0.000 2.413 129 C HA -0.122 4.382 4.460 0.072 0.000 0.276 129 C C 2.652 177.461 174.990 -0.301 0.000 1.248 129 C CA 0.450 59.023 59.018 -0.742 0.000 1.742 129 C CB -0.960 26.140 27.740 -1.067 0.000 2.017 129 C HN 0.480 nan 8.230 nan 0.000 0.481 130 I N 0.389 120.883 120.570 -0.127 0.000 2.286 130 I HA -0.186 4.027 4.170 0.072 0.000 0.248 130 I C 2.676 178.832 176.117 0.065 0.000 1.115 130 I CA 1.354 62.670 61.300 0.027 0.000 1.392 130 I CB -0.307 37.693 38.000 -0.002 0.000 1.065 130 I HN 0.269 nan 8.210 nan 0.000 0.418 131 S N 0.176 115.870 115.700 -0.011 0.000 2.368 131 S HA -0.250 4.263 4.470 0.072 0.000 0.224 131 S C 1.707 176.321 174.600 0.023 0.000 1.029 131 S CA 1.955 60.157 58.200 0.003 0.000 0.988 131 S CB -0.271 62.916 63.200 -0.021 0.000 0.838 131 S HN 0.606 nan 8.310 nan 0.000 0.462 132 D N -0.153 120.257 120.400 0.016 0.000 2.097 132 D HA -0.164 4.520 4.640 0.072 0.000 0.195 132 D C 1.820 178.186 176.300 0.109 0.000 0.989 132 D CA 1.235 55.265 54.000 0.049 0.000 0.827 132 D CB -0.381 40.458 40.800 0.066 0.000 0.966 132 D HN 0.390 nan 8.370 nan 0.000 0.456 133 F N 0.923 120.923 119.950 0.082 0.000 2.091 133 F HA -0.149 4.409 4.527 0.052 0.000 0.299 133 F C 1.897 177.768 175.800 0.119 0.000 1.103 133 F CA 1.497 59.593 58.000 0.160 0.000 1.228 133 F CB -0.251 38.884 39.000 0.224 0.000 0.984 133 F HN 0.040 nan 8.300 nan 0.000 0.477 134 L N -0.299 121.015 121.223 0.152 0.000 2.201 134 L HA -0.187 4.197 4.340 0.072 0.000 0.212 134 L C 2.022 178.826 176.870 -0.108 0.000 1.105 134 L CA 1.074 55.925 54.840 0.018 0.000 0.775 134 L CB -0.825 41.264 42.059 0.049 0.000 0.913 134 L HN 0.128 nan 8.230 nan 0.000 0.440 135 D N 0.434 120.773 120.400 -0.102 0.000 2.075 135 D HA -0.153 4.531 4.640 0.072 0.000 0.196 135 D C 2.079 178.246 176.300 -0.222 0.000 0.985 135 D CA 0.991 54.918 54.000 -0.121 0.000 0.834 135 D CB -0.174 40.580 40.800 -0.076 0.000 0.987 135 D HN 0.114 nan 8.370 nan 0.000 0.452 136 K N -0.231 119.957 120.400 -0.353 0.000 2.207 136 K HA -0.202 4.161 4.320 0.072 0.000 0.208 136 K C 0.617 176.734 176.600 -0.806 0.000 1.046 136 K CA 1.313 57.221 56.287 -0.632 0.000 0.929 136 K CB -0.368 31.583 32.500 -0.915 0.000 0.720 136 K HN 0.493 nan 8.250 nan 0.000 0.463 137 H N 0.504 119.418 119.070 -0.259 0.000 2.575 137 H HA 0.083 4.703 4.556 0.107 0.000 0.256 137 H C -0.702 174.555 175.328 -0.119 0.000 1.162 137 H CA -0.591 55.325 56.048 -0.221 0.000 0.969 137 H CB 0.360 29.906 29.762 -0.360 0.000 1.796 137 H HN 0.067 nan 8.280 nan 0.000 0.607 138 Q N 0.535 120.317 119.800 -0.031 0.000 2.352 138 Q HA -0.258 4.125 4.340 0.072 0.000 0.347 138 Q C -0.199 175.833 176.000 0.054 0.000 1.233 138 Q CA 1.000 56.828 55.803 0.041 0.000 1.080 138 Q CB -1.329 27.483 28.738 0.123 0.000 1.195 138 Q HN 0.738 nan 8.270 nan 0.000 0.297 139 M N 0.286 119.742 119.600 -0.240 0.000 2.215 139 M HA 0.123 4.647 4.480 0.072 0.000 0.391 139 M C 0.043 175.988 176.300 -0.591 0.000 0.914 139 M CA -0.068 55.045 55.300 -0.312 0.000 1.035 139 M CB 0.811 33.385 32.600 -0.042 0.000 1.944 139 M HN 0.163 nan 8.290 nan 0.000 0.656 140 K N 1.666 121.657 120.400 -0.682 0.000 2.715 140 K HA 0.066 4.430 4.320 0.072 0.000 0.248 140 K C 0.324 176.709 176.600 -0.359 0.000 1.276 140 K CA 0.365 56.424 56.287 -0.381 0.000 1.209 140 K CB -0.341 32.053 32.500 -0.176 0.000 1.509 140 K HN 0.515 nan 8.250 nan 0.000 0.261 141 H N -2.199 116.893 119.070 0.036 0.000 1.975 141 H HA 0.063 4.659 4.556 0.067 0.000 0.133 141 H C -0.364 174.976 175.328 0.021 0.000 0.926 141 H CA -0.692 55.374 56.048 0.030 0.000 0.597 141 H CB 0.096 29.870 29.762 0.020 0.000 0.530 141 H HN -0.043 nan 8.280 nan 0.000 0.320 142 K N 2.721 123.300 120.400 0.299 0.000 2.379 142 K HA 0.161 4.525 4.320 0.072 0.000 0.284 142 K C -0.106 176.526 176.600 0.055 0.000 1.044 142 K CA -0.050 56.327 56.287 0.150 0.000 0.974 142 K CB 1.632 34.220 32.500 0.147 0.000 0.962 142 K HN 0.124 nan 8.250 nan 0.000 0.474 143 K N 4.493 124.909 120.400 0.028 0.000 2.150 143 K HA 0.114 4.477 4.320 0.072 0.000 0.261 143 K C -0.601 175.972 176.600 -0.044 0.000 1.127 143 K CA -0.306 55.982 56.287 0.001 0.000 0.989 143 K CB 0.031 32.539 32.500 0.014 0.000 1.475 143 K HN 0.357 nan 8.250 nan 0.000 0.391 144 L N 5.412 126.602 121.223 -0.055 0.000 2.397 144 L HA 0.221 4.604 4.340 0.072 0.000 0.271 144 L C -2.043 174.763 176.870 -0.106 0.000 1.148 144 L CA -1.812 52.963 54.840 -0.109 0.000 0.825 144 L CB 0.344 42.363 42.059 -0.066 0.000 1.117 144 L HN 0.419 nan 8.230 nan 0.000 0.456 145 P HA 0.156 nan 4.420 nan 0.000 0.276 145 P C -1.019 176.335 177.300 0.091 0.000 1.230 145 P CA -0.351 62.721 63.100 -0.046 0.000 0.776 145 P CB 0.839 32.498 31.700 -0.069 0.000 0.888 146 L N 3.668 124.953 121.223 0.103 0.000 2.313 146 L HA 0.685 5.069 4.340 0.072 0.000 0.283 146 L C 0.168 177.132 176.870 0.157 0.000 1.013 146 L CA -0.155 54.750 54.840 0.109 0.000 0.816 146 L CB 1.049 43.127 42.059 0.032 0.000 1.236 146 L HN 0.463 nan 8.230 nan 0.000 0.419 147 G N 4.424 113.332 108.800 0.180 0.000 2.368 147 G HA2 0.361 4.364 3.960 0.072 0.000 0.320 147 G HA3 0.361 4.364 3.960 0.072 0.000 0.320 147 G C -1.378 173.689 174.900 0.279 0.000 1.158 147 G CA -0.370 44.845 45.100 0.193 0.000 0.912 147 G HN 0.545 nan 8.290 nan 0.000 0.456 148 F N 3.323 123.343 119.950 0.117 0.000 2.332 148 F HA 0.331 4.900 4.527 0.071 0.000 0.368 148 F C 0.186 176.105 175.800 0.199 0.000 1.110 148 F CA -0.875 57.227 58.000 0.170 0.000 1.087 148 F CB 1.273 40.376 39.000 0.173 0.000 1.235 148 F HN 0.285 nan 8.300 nan 0.000 0.470 149 T N 7.080 121.844 114.554 0.350 0.000 2.723 149 T HA 0.166 4.560 4.350 0.072 0.000 0.297 149 T C -0.909 173.785 174.700 -0.010 0.000 0.925 149 T CA 0.102 62.271 62.100 0.114 0.000 1.030 149 T CB 0.146 69.079 68.868 0.109 0.000 0.905 149 T HN 0.469 nan 8.240 nan 0.000 0.502 150 F N 2.824 122.559 119.950 -0.358 0.000 2.500 150 F HA 0.373 4.942 4.527 0.070 0.000 0.349 150 F C 0.190 175.892 175.800 -0.163 0.000 1.127 150 F CA -0.678 57.090 58.000 -0.388 0.000 0.998 150 F CB 1.219 39.753 39.000 -0.777 0.000 1.237 150 F HN 0.374 nan 8.300 nan 0.000 0.439 151 S N 6.911 122.209 115.700 -0.670 0.000 3.812 151 S HA 0.400 4.913 4.470 0.072 0.000 0.195 151 S C -0.973 172.817 174.600 -1.350 0.000 1.460 151 S CA -0.082 57.627 58.200 -0.819 0.000 1.052 151 S CB -0.791 61.986 63.200 -0.705 0.000 1.385 151 S HN 0.473 nan 8.310 nan 0.000 0.490 152 F N 1.058 120.751 119.950 -0.429 0.000 2.654 152 F HA 0.411 4.981 4.527 0.072 0.000 0.308 152 F C -2.596 173.153 175.800 -0.085 0.000 1.108 152 F CA -2.475 55.347 58.000 -0.297 0.000 0.957 152 F CB 1.328 40.019 39.000 -0.514 0.000 1.309 152 F HN -0.074 nan 8.300 nan 0.000 0.446 153 P HA 0.151 nan 4.420 nan 0.000 0.265 153 P C -0.873 176.507 177.300 0.135 0.000 1.222 153 P CA 0.215 63.393 63.100 0.131 0.000 0.767 153 P CB 0.979 32.749 31.700 0.116 0.000 0.801 154 V N 5.195 125.188 119.914 0.132 0.000 2.680 154 V HA 0.393 4.556 4.120 0.072 0.000 0.309 154 V C 0.644 176.758 176.094 0.033 0.000 1.052 154 V CA -0.849 61.473 62.300 0.037 0.000 0.908 154 V CB 2.478 34.266 31.823 -0.058 0.000 1.001 154 V HN 0.450 nan 8.190 nan 0.000 0.431 155 R N 3.242 123.727 120.500 -0.025 0.000 2.198 155 R HA 0.327 4.710 4.340 0.072 0.000 0.339 155 R C -0.645 175.627 176.300 -0.048 0.000 1.020 155 R CA -0.432 55.688 56.100 0.033 0.000 0.864 155 R CB 0.271 30.595 30.300 0.040 0.000 1.105 155 R HN 0.768 nan 8.270 nan 0.000 0.463 156 H N 2.855 121.984 119.070 0.099 0.000 2.525 156 H HA 0.058 4.657 4.556 0.072 0.000 0.339 156 H C 0.371 175.710 175.328 0.018 0.000 1.109 156 H CA 0.020 56.111 56.048 0.072 0.000 1.352 156 H CB 1.854 31.738 29.762 0.204 0.000 1.461 156 H HN 0.621 nan 8.280 nan 0.000 0.533 157 E N 0.717 120.867 120.200 -0.083 0.000 2.276 157 E HA -0.010 4.384 4.350 0.072 0.000 0.193 157 E C -0.139 176.020 176.600 -0.735 0.000 0.983 157 E CA 0.403 56.656 56.400 -0.245 0.000 0.861 157 E CB 0.752 30.356 29.700 -0.160 0.000 0.817 157 E HN 0.506 nan 8.360 nan 0.000 0.485 158 D N -1.779 118.254 120.400 -0.612 0.000 2.692 158 D HA 0.057 4.741 4.640 0.072 0.000 0.303 158 D C 0.108 176.304 176.300 -0.173 0.000 1.278 158 D CA -0.652 52.951 54.000 -0.661 0.000 0.852 158 D CB 0.912 41.513 40.800 -0.331 0.000 1.375 158 D HN -0.142 nan 8.370 nan 0.000 0.453 159 I N 1.108 121.630 120.570 -0.079 0.000 2.423 159 I HA -0.145 4.069 4.170 0.072 0.000 0.254 159 I C 0.926 177.097 176.117 0.090 0.000 1.151 159 I CA 1.912 63.231 61.300 0.032 0.000 1.421 159 I CB -0.068 37.945 38.000 0.023 0.000 1.079 159 I HN 0.414 nan 8.210 nan 0.000 0.431 160 D N -0.747 119.680 120.400 0.045 0.000 2.479 160 D HA 0.116 4.799 4.640 0.072 0.000 0.218 160 D C 0.328 176.632 176.300 0.007 0.000 1.177 160 D CA -0.179 53.848 54.000 0.044 0.000 0.830 160 D CB -0.021 40.792 40.800 0.022 0.000 1.014 160 D HN 0.227 nan 8.370 nan 0.000 0.503 161 K N 0.007 120.401 120.400 -0.010 0.000 2.588 161 K HA 0.557 4.920 4.320 0.072 0.000 0.250 161 K C -1.343 175.170 176.600 -0.145 0.000 0.972 161 K CA -0.489 55.748 56.287 -0.083 0.000 0.821 161 K CB 1.809 34.252 32.500 -0.094 0.000 1.249 161 K HN 0.110 nan 8.250 nan 0.000 0.442 162 G N 3.243 111.904 108.800 -0.232 0.000 2.667 162 G HA2 0.454 4.458 3.960 0.072 0.000 0.294 162 G HA3 0.454 4.458 3.960 0.072 0.000 0.294 162 G C -1.392 173.345 174.900 -0.273 0.000 1.467 162 G CA -0.958 43.935 45.100 -0.344 0.000 0.852 162 G HN 0.623 nan 8.290 nan 0.000 0.521 163 I N -0.747 119.698 120.570 -0.209 0.000 2.460 163 I HA 0.793 5.006 4.170 0.072 0.000 0.298 163 I C -0.284 175.748 176.117 -0.142 0.000 0.989 163 I CA -1.264 59.937 61.300 -0.164 0.000 1.173 163 I CB 1.886 39.819 38.000 -0.112 0.000 1.338 163 I HN 0.407 nan 8.210 nan 0.000 0.456 164 L N 6.058 127.185 121.223 -0.160 0.000 2.418 164 L HA 0.241 4.624 4.340 0.072 0.000 0.274 164 L C 0.377 177.168 176.870 -0.132 0.000 1.135 164 L CA 0.409 55.161 54.840 -0.147 0.000 0.870 164 L CB 0.531 42.401 42.059 -0.314 0.000 1.154 164 L HN 0.801 nan 8.230 nan 0.000 0.462 165 L N 4.550 125.736 121.223 -0.063 0.000 2.049 165 L HA 0.077 4.460 4.340 0.072 0.000 0.203 165 L C 0.510 177.353 176.870 -0.046 0.000 1.074 165 L CA 0.821 55.644 54.840 -0.029 0.000 0.749 165 L CB -0.259 41.816 42.059 0.027 0.000 0.907 165 L HN 0.885 nan 8.230 nan 0.000 0.439 166 N N -2.912 115.762 118.700 -0.044 0.000 2.745 166 N HA 0.109 4.893 4.740 0.072 0.000 0.256 166 N C -1.808 173.716 175.510 0.022 0.000 1.268 166 N CA -0.801 52.231 53.050 -0.030 0.000 0.887 166 N CB 0.724 39.251 38.487 0.067 0.000 1.575 166 N HN -0.077 nan 8.380 nan 0.000 0.496 167 W N 1.280 122.631 121.300 0.085 0.000 2.126 167 W HA 0.323 5.026 4.660 0.071 0.000 0.346 167 W C 0.914 177.548 176.519 0.191 0.000 1.279 167 W CA 0.203 57.590 57.345 0.070 0.000 1.259 167 W CB 1.019 30.512 29.460 0.055 0.000 1.133 167 W HN 0.551 nan 8.180 nan 0.000 0.592 168 T N -2.063 112.866 114.554 0.625 0.000 2.838 168 T HA 0.434 4.827 4.350 0.072 0.000 0.292 168 T C -0.440 174.557 174.700 0.494 0.000 1.113 168 T CA -1.218 61.160 62.100 0.464 0.000 1.008 168 T CB 1.690 70.767 68.868 0.348 0.000 1.259 168 T HN 0.537 nan 8.240 nan 0.000 0.520 169 K N 0.221 120.851 120.400 0.383 0.000 3.071 169 K HA -0.176 4.188 4.320 0.072 0.000 0.265 169 K C 1.090 177.888 176.600 0.330 0.000 1.060 169 K CA 0.793 57.279 56.287 0.330 0.000 0.767 169 K CB -1.951 30.694 32.500 0.241 0.000 1.241 169 K HN 1.686 nan 8.250 nan 0.000 0.486 170 G N -0.604 108.370 108.800 0.289 0.000 2.205 170 G HA2 -0.358 3.645 3.960 0.072 0.000 0.261 170 G HA3 -0.358 3.645 3.960 0.072 0.000 0.261 170 G C 0.199 175.142 174.900 0.073 0.000 0.980 170 G CA 0.302 45.498 45.100 0.162 0.000 0.632 170 G HN 0.274 nan 8.290 nan 0.000 0.533 171 F N 0.862 120.765 119.950 -0.078 0.000 2.572 171 F HA 0.458 5.028 4.527 0.071 0.000 0.370 171 F C 1.658 177.117 175.800 -0.568 0.000 1.103 171 F CA 1.040 58.772 58.000 -0.447 0.000 1.286 171 F CB 0.950 39.532 39.000 -0.697 0.000 1.105 171 F HN 0.014 nan 8.300 nan 0.000 0.583 172 K N 1.989 122.006 120.400 -0.639 0.000 2.585 172 K HA 0.309 4.672 4.320 0.072 0.000 0.210 172 K C -0.034 176.409 176.600 -0.263 0.000 1.294 172 K CA -0.159 55.917 56.287 -0.352 0.000 1.025 172 K CB 0.865 33.285 32.500 -0.133 0.000 1.076 172 K HN 0.598 nan 8.250 nan 0.000 0.613 173 A N 2.552 125.088 122.820 -0.473 0.000 2.583 173 A HA 0.016 4.380 4.320 0.072 0.000 0.249 173 A C 0.621 178.408 177.584 0.338 0.000 1.035 173 A CA 0.467 52.483 52.037 -0.035 0.000 0.777 173 A CB -0.255 18.743 19.000 -0.003 0.000 0.942 173 A HN 0.335 nan 8.150 nan 0.000 0.516 174 S N 2.494 118.319 115.700 0.208 0.000 2.603 174 S HA 0.546 5.059 4.470 0.072 0.000 0.268 174 S C 1.153 175.881 174.600 0.213 0.000 1.317 174 S CA 0.199 58.526 58.200 0.212 0.000 1.012 174 S CB 1.078 64.351 63.200 0.121 0.000 0.926 174 S HN 2.525 nan 8.310 nan 0.000 0.539 175 G N 0.334 109.233 108.800 0.164 0.000 2.147 175 G HA2 -0.034 3.969 3.960 0.072 0.000 0.244 175 G HA3 -0.034 3.969 3.960 0.072 0.000 0.244 175 G C 0.538 175.509 174.900 0.119 0.000 1.005 175 G CA 0.216 45.386 45.100 0.117 0.000 0.713 175 G HN 1.542 nan 8.290 nan 0.000 0.515 176 A N -0.785 122.125 122.820 0.151 0.000 2.074 176 A HA 0.552 4.916 4.320 0.072 0.000 0.200 176 A C 0.842 178.349 177.584 -0.129 0.000 1.335 176 A CA 0.827 52.904 52.037 0.067 0.000 0.922 176 A CB 0.292 19.464 19.000 0.286 0.000 0.972 176 A HN 0.502 nan 8.150 nan 0.000 0.475 177 E N -0.177 119.936 120.200 -0.144 0.000 2.324 177 E HA 0.396 4.789 4.350 0.072 0.000 0.271 177 E C 0.906 177.449 176.600 -0.095 0.000 1.028 177 E CA 0.505 56.797 56.400 -0.180 0.000 0.890 177 E CB 0.361 29.977 29.700 -0.139 0.000 1.004 177 E HN 0.687 nan 8.360 nan 0.000 0.431 178 G N 3.173 111.912 108.800 -0.101 0.000 2.213 178 G HA2 -0.218 3.786 3.960 0.072 0.000 0.236 178 G HA3 -0.218 3.786 3.960 0.072 0.000 0.236 178 G C 0.059 174.911 174.900 -0.080 0.000 0.991 178 G CA -0.405 44.653 45.100 -0.069 0.000 0.629 178 G HN 0.487 nan 8.290 nan 0.000 0.517 179 N N 0.427 119.063 118.700 -0.106 0.000 2.472 179 N HA 0.452 5.236 4.740 0.072 0.000 0.289 179 N C -0.360 175.057 175.510 -0.156 0.000 1.156 179 N CA -0.789 52.191 53.050 -0.116 0.000 0.940 179 N CB 0.890 39.309 38.487 -0.113 0.000 1.200 179 N HN 0.219 nan 8.380 nan 0.000 0.511 180 N N 0.549 119.157 118.700 -0.153 0.000 2.427 180 N HA 0.002 4.786 4.740 0.072 0.000 0.269 180 N C 0.857 176.225 175.510 -0.236 0.000 1.235 180 N CA 0.099 53.041 53.050 -0.179 0.000 0.934 180 N CB 0.403 38.806 38.487 -0.141 0.000 1.121 180 N HN 0.258 nan 8.380 nan 0.000 0.480 181 V N 3.985 123.724 119.914 -0.293 0.000 2.343 181 V HA -0.230 3.933 4.120 0.072 0.000 0.247 181 V C 2.121 178.046 176.094 -0.282 0.000 1.051 181 V CA 1.495 63.562 62.300 -0.388 0.000 1.036 181 V CB -0.367 31.067 31.823 -0.649 0.000 0.654 181 V HN 0.609 nan 8.190 nan 0.000 0.451 182 V N 0.937 120.752 119.914 -0.165 0.000 2.407 182 V HA -0.184 3.979 4.120 0.072 0.000 0.248 182 V C 2.635 178.648 176.094 -0.135 0.000 1.055 182 V CA 2.127 64.384 62.300 -0.072 0.000 1.049 182 V CB -1.452 30.352 31.823 -0.032 0.000 0.662 182 V HN 0.610 nan 8.190 nan 0.000 0.455 183 G N -0.123 108.581 108.800 -0.161 0.000 2.418 183 G HA2 -0.214 3.789 3.960 0.072 0.000 0.217 183 G HA3 -0.214 3.789 3.960 0.072 0.000 0.217 183 G C 1.595 176.360 174.900 -0.224 0.000 1.158 183 G CA 0.960 45.965 45.100 -0.158 0.000 0.771 183 G HN 0.465 nan 8.290 nan 0.000 0.545 184 L N -0.385 120.620 121.223 -0.363 0.000 2.042 184 L HA -0.074 4.310 4.340 0.072 0.000 0.210 184 L C 2.703 179.193 176.870 -0.633 0.000 1.076 184 L CA 0.664 55.149 54.840 -0.592 0.000 0.749 184 L CB -0.453 40.989 42.059 -1.029 0.000 0.893 184 L HN 0.242 nan 8.230 nan 0.000 0.432 185 L N -0.082 120.821 121.223 -0.534 0.000 2.017 185 L HA -0.194 4.189 4.340 0.072 0.000 0.208 185 L C 2.711 179.493 176.870 -0.148 0.000 1.073 185 L CA 1.739 56.446 54.840 -0.222 0.000 0.745 185 L CB -0.544 41.430 42.059 -0.142 0.000 0.894 185 L HN 0.071 nan 8.230 nan 0.000 0.432 186 R N -0.406 120.008 120.500 -0.143 0.000 2.081 186 R HA -0.163 4.221 4.340 0.072 0.000 0.235 186 R C 1.949 178.220 176.300 -0.050 0.000 1.131 186 R CA 1.592 57.632 56.100 -0.100 0.000 0.960 186 R CB -0.508 29.749 30.300 -0.071 0.000 0.856 186 R HN 0.467 nan 8.270 nan 0.000 0.436 187 D N 0.434 120.796 120.400 -0.064 0.000 2.104 187 D HA -0.152 4.531 4.640 0.072 0.000 0.194 187 D C 1.796 178.102 176.300 0.010 0.000 0.994 187 D CA 1.644 55.631 54.000 -0.022 0.000 0.830 187 D CB -0.351 40.417 40.800 -0.053 0.000 0.959 187 D HN 0.250 nan 8.370 nan 0.000 0.452 188 A N 0.639 123.455 122.820 -0.007 0.000 1.933 188 A HA -0.139 4.224 4.320 0.072 0.000 0.218 188 A C 2.395 180.003 177.584 0.040 0.000 1.175 188 A CA 0.917 52.977 52.037 0.038 0.000 0.628 188 A CB -0.738 18.317 19.000 0.093 0.000 0.814 188 A HN 0.212 nan 8.150 nan 0.000 0.444 189 I N -0.689 119.883 120.570 0.003 0.000 2.226 189 I HA -0.256 3.957 4.170 0.072 0.000 0.245 189 I C 2.532 178.776 176.117 0.212 0.000 1.100 189 I CA 1.820 63.109 61.300 -0.018 0.000 1.374 189 I CB -0.209 37.649 38.000 -0.237 0.000 1.057 189 I HN 0.326 nan 8.210 nan 0.000 0.413 190 K N 0.878 121.459 120.400 0.301 0.000 2.217 190 K HA -0.112 4.252 4.320 0.072 0.000 0.202 190 K C 2.270 178.972 176.600 0.170 0.000 1.051 190 K CA 0.775 57.319 56.287 0.427 0.000 0.952 190 K CB 0.075 32.763 32.500 0.314 0.000 0.736 190 K HN 0.149 nan 8.250 nan 0.000 0.453 191 R N 0.148 120.717 120.500 0.114 0.000 2.120 191 R HA -0.049 4.335 4.340 0.072 0.000 0.234 191 R C 2.274 178.611 176.300 0.062 0.000 1.123 191 R CA 1.275 57.414 56.100 0.065 0.000 0.975 191 R CB 0.100 30.431 30.300 0.051 0.000 0.866 191 R HN 0.120 nan 8.270 nan 0.000 0.446 192 R N -1.523 119.032 120.500 0.091 0.000 2.062 192 R HA 0.009 4.393 4.340 0.072 0.000 0.226 192 R C 1.245 177.591 176.300 0.077 0.000 1.125 192 R CA 1.161 57.307 56.100 0.077 0.000 0.966 192 R CB 0.150 30.498 30.300 0.080 0.000 0.861 192 R HN 0.458 nan 8.270 nan 0.000 0.433 193 G N 1.045 109.924 108.800 0.132 0.000 2.175 193 G HA2 -0.308 3.695 3.960 0.072 0.000 0.244 193 G HA3 -0.308 3.695 3.960 0.072 0.000 0.244 193 G C 0.383 175.387 174.900 0.174 0.000 0.982 193 G CA 0.445 45.580 45.100 0.059 0.000 0.641 193 G HN 0.456 nan 8.290 nan 0.000 0.527 194 D N -0.864 119.687 120.400 0.252 0.000 1.733 194 D HA -0.245 4.439 4.640 0.072 0.000 0.626 194 D C 0.709 177.118 176.300 0.182 0.000 0.604 194 D CA 2.624 56.746 54.000 0.204 0.000 1.702 194 D CB -0.120 40.756 40.800 0.126 0.000 0.225 194 D HN 1.209 nan 8.370 nan 0.000 0.193 195 F N -0.695 119.245 119.950 -0.018 0.000 2.978 195 F HA 0.344 4.916 4.527 0.074 0.000 0.324 195 F C -1.483 174.310 175.800 -0.012 0.000 1.157 195 F CA 0.067 58.059 58.000 -0.014 0.000 0.879 195 F CB 0.506 39.499 39.000 -0.012 0.000 1.364 195 F HN 0.196 nan 8.300 nan 0.000 0.465 196 E N 2.439 121.926 120.200 -1.187 0.000 6.582 196 E HA -0.043 4.350 4.350 0.072 0.000 0.193 196 E C -1.874 174.560 176.600 -0.278 0.000 1.234 196 E CA 0.607 56.609 56.400 -0.664 0.000 1.476 196 E CB -0.699 29.308 29.700 0.512 0.000 0.955 196 E HN 0.615 nan 8.360 nan 0.000 0.300 197 M N 2.048 121.453 119.600 -0.325 0.000 2.464 197 M HA 0.357 4.881 4.480 0.072 0.000 0.308 197 M C -0.122 176.110 176.300 -0.113 0.000 1.127 197 M CA -0.929 54.274 55.300 -0.162 0.000 0.913 197 M CB 1.765 34.270 32.600 -0.157 0.000 1.689 197 M HN 0.283 nan 8.290 nan 0.000 0.445 198 D N 2.705 123.073 120.400 -0.054 0.000 2.374 198 D HA 0.304 4.988 4.640 0.072 0.000 0.240 198 D C -0.809 175.489 176.300 -0.003 0.000 1.229 198 D CA -0.157 53.830 54.000 -0.022 0.000 0.895 198 D CB 0.602 41.398 40.800 -0.007 0.000 1.046 198 D HN 0.309 nan 8.370 nan 0.000 0.498 199 V N 5.306 125.216 119.914 -0.007 0.000 2.405 199 V HA 0.048 4.211 4.120 0.072 0.000 0.264 199 V C 1.578 177.702 176.094 0.051 0.000 1.048 199 V CA -0.238 62.078 62.300 0.027 0.000 0.966 199 V CB 0.858 32.688 31.823 0.012 0.000 1.015 199 V HN 0.532 nan 8.190 nan 0.000 0.477 200 V N 1.716 121.679 119.914 0.082 0.000 3.621 200 V HA 0.759 4.923 4.120 0.072 0.000 0.263 200 V C 0.641 176.784 176.094 0.082 0.000 1.272 200 V CA 0.582 62.930 62.300 0.080 0.000 1.080 200 V CB 0.170 32.056 31.823 0.104 0.000 0.816 200 V HN 0.878 nan 8.190 nan 0.000 0.451 201 A N 0.954 123.839 122.820 0.108 0.000 2.513 201 A HA 0.791 5.154 4.320 0.072 0.000 0.296 201 A C -1.093 176.586 177.584 0.160 0.000 1.052 201 A CA -0.307 51.795 52.037 0.108 0.000 0.714 201 A CB 1.761 20.807 19.000 0.077 0.000 1.279 201 A HN 0.473 nan 8.150 nan 0.000 0.397 202 M N 3.690 123.389 119.600 0.166 0.000 2.190 202 M HA 0.692 5.215 4.480 0.072 0.000 0.312 202 M C -1.230 175.173 176.300 0.172 0.000 0.990 202 M CA -0.676 54.736 55.300 0.186 0.000 0.927 202 M CB 1.466 34.162 32.600 0.160 0.000 1.571 202 M HN 1.127 nan 8.290 nan 0.000 0.427 203 V N 1.980 121.959 119.914 0.108 0.000 3.001 203 V HA 0.611 4.774 4.120 0.072 0.000 0.314 203 V C -0.725 175.401 176.094 0.052 0.000 1.099 203 V CA -0.927 61.409 62.300 0.060 0.000 0.989 203 V CB 1.828 33.660 31.823 0.015 0.000 1.040 203 V HN 0.993 nan 8.190 nan 0.000 0.434 204 N N 1.299 120.014 118.700 0.025 0.000 2.483 204 N HA 0.071 4.855 4.740 0.072 0.000 0.269 204 N C 0.472 175.949 175.510 -0.056 0.000 1.209 204 N CA 0.236 53.272 53.050 -0.023 0.000 0.969 204 N CB 1.625 40.094 38.487 -0.031 0.000 1.173 204 N HN 0.983 nan 8.380 nan 0.000 0.475 205 D N 0.649 120.991 120.400 -0.097 0.000 2.178 205 D HA -0.195 4.489 4.640 0.072 0.000 0.201 205 D C 1.694 177.946 176.300 -0.080 0.000 0.980 205 D CA 1.885 55.834 54.000 -0.086 0.000 0.842 205 D CB -0.944 39.788 40.800 -0.113 0.000 0.948 205 D HN 0.705 nan 8.370 nan 0.000 0.472 206 T N -0.857 113.637 114.554 -0.100 0.000 2.720 206 T HA -0.158 4.236 4.350 0.072 0.000 0.268 206 T C 2.221 176.874 174.700 -0.077 0.000 1.037 206 T CA 1.597 63.635 62.100 -0.102 0.000 1.144 206 T CB -1.003 67.779 68.868 -0.143 0.000 0.864 206 T HN 0.091 nan 8.240 nan 0.000 0.444 207 V N 2.393 122.264 119.914 -0.073 0.000 2.295 207 V HA -0.067 4.096 4.120 0.072 0.000 0.246 207 V C 3.289 179.359 176.094 -0.041 0.000 1.049 207 V CA 1.638 63.898 62.300 -0.067 0.000 1.024 207 V CB -1.513 30.266 31.823 -0.073 0.000 0.648 207 V HN 0.704 nan 8.190 nan 0.000 0.447 208 A N -0.620 122.184 122.820 -0.026 0.000 1.902 208 A HA -0.235 4.129 4.320 0.072 0.000 0.217 208 A C 2.413 180.003 177.584 0.010 0.000 1.181 208 A CA 2.535 54.570 52.037 -0.002 0.000 0.623 208 A CB -1.016 17.986 19.000 0.003 0.000 0.818 208 A HN 0.467 nan 8.150 nan 0.000 0.443 209 T N -0.455 114.096 114.554 -0.005 0.000 2.746 209 T HA -0.161 4.233 4.350 0.072 0.000 0.267 209 T C 1.923 176.635 174.700 0.020 0.000 1.039 209 T CA 1.682 63.784 62.100 0.004 0.000 1.142 209 T CB -0.283 68.573 68.868 -0.021 0.000 0.866 209 T HN 0.539 nan 8.240 nan 0.000 0.444 210 M N 0.567 120.168 119.600 0.002 0.000 2.067 210 M HA -0.087 4.436 4.480 0.072 0.000 0.260 210 M C 1.892 178.219 176.300 0.046 0.000 1.069 210 M CA 1.695 57.003 55.300 0.013 0.000 1.117 210 M CB -0.237 32.350 32.600 -0.022 0.000 1.334 210 M HN 0.117 nan 8.290 nan 0.000 0.407 211 I N 0.920 121.508 120.570 0.030 0.000 2.163 211 I HA -0.260 3.953 4.170 0.072 0.000 0.243 211 I C 2.786 179.034 176.117 0.218 0.000 1.085 211 I CA 2.007 63.348 61.300 0.070 0.000 1.347 211 I CB -1.795 36.231 38.000 0.044 0.000 1.044 211 I HN 0.519 nan 8.210 nan 0.000 0.408 212 S N 0.001 115.807 115.700 0.176 0.000 2.402 212 S HA -0.144 4.369 4.470 0.072 0.000 0.229 212 S C 2.147 176.882 174.600 0.226 0.000 1.021 212 S CA 1.104 59.433 58.200 0.215 0.000 0.974 212 S CB -0.867 62.404 63.200 0.119 0.000 0.800 212 S HN 0.461 nan 8.310 nan 0.000 0.484 213 C N 0.523 119.920 119.300 0.161 0.000 2.468 213 C HA 0.208 4.711 4.460 0.072 0.000 0.277 213 C C 2.236 177.302 174.990 0.126 0.000 1.400 213 C CA 0.147 59.240 59.018 0.125 0.000 1.770 213 C CB -1.897 25.892 27.740 0.082 0.000 1.905 213 C HN 0.756 nan 8.230 nan 0.000 0.519 214 Y N 0.525 120.830 120.300 0.007 0.000 2.256 214 Y HA -0.253 4.339 4.550 0.070 0.000 0.288 214 Y C 1.948 177.796 175.900 -0.087 0.000 1.155 214 Y CA 1.747 59.788 58.100 -0.099 0.000 1.203 214 Y CB -0.515 37.777 38.460 -0.281 0.000 0.980 214 Y HN 0.472 nan 8.280 nan 0.000 0.530 215 Y N -0.324 119.983 120.300 0.012 0.000 2.475 215 Y HA -0.011 4.589 4.550 0.083 0.000 0.289 215 Y C 2.382 178.155 175.900 -0.211 0.000 1.121 215 Y CA 1.250 59.294 58.100 -0.093 0.000 1.257 215 Y CB -0.160 38.354 38.460 0.091 0.000 1.026 215 Y HN 0.184 nan 8.280 nan 0.000 0.555 216 E N -0.380 119.808 120.200 -0.021 0.000 2.447 216 E HA -0.070 4.324 4.350 0.072 0.000 0.195 216 E C -0.363 176.136 176.600 -0.169 0.000 1.028 216 E CA 0.254 56.605 56.400 -0.082 0.000 0.876 216 E CB 0.515 30.210 29.700 -0.008 0.000 0.885 216 E HN 0.101 nan 8.360 nan 0.000 0.500 217 D N -0.794 119.476 120.400 -0.216 0.000 2.365 217 D HA 0.044 4.727 4.640 0.072 0.000 0.235 217 D C -0.094 176.066 176.300 -0.234 0.000 1.368 217 D CA -0.389 53.490 54.000 -0.202 0.000 1.001 217 D CB 0.405 41.155 40.800 -0.084 0.000 1.364 217 D HN 0.037 nan 8.370 nan 0.000 0.577 218 H N 1.549 120.399 119.070 -0.366 0.000 2.545 218 H HA -0.006 4.593 4.556 0.071 0.000 0.282 218 H C 1.221 176.495 175.328 -0.090 0.000 1.020 218 H CA 0.866 56.635 56.048 -0.466 0.000 1.243 218 H CB 0.457 29.989 29.762 -0.383 0.000 1.377 218 H HN 0.478 nan 8.280 nan 0.000 0.581 219 Q N -0.515 119.308 119.800 0.039 0.000 2.482 219 Q HA -0.014 4.369 4.340 0.072 0.000 0.209 219 Q C 0.757 176.781 176.000 0.041 0.000 0.961 219 Q CA 0.040 55.864 55.803 0.036 0.000 0.945 219 Q CB -0.340 28.393 28.738 -0.007 0.000 1.012 219 Q HN 0.250 nan 8.270 nan 0.000 0.515 220 C N 2.311 121.654 119.300 0.072 0.000 2.520 220 C HA 0.124 4.628 4.460 0.072 0.000 0.369 220 C C 0.878 175.917 174.990 0.082 0.000 1.244 220 C CA -0.027 59.031 59.018 0.066 0.000 1.677 220 C CB -0.813 26.974 27.740 0.078 0.000 2.324 220 C HN 0.386 nan 8.230 nan 0.000 0.557 221 E N 3.159 123.380 120.200 0.035 0.000 2.759 221 E HA 0.216 4.609 4.350 0.072 0.000 0.220 221 E C -0.685 175.934 176.600 0.031 0.000 0.974 221 E CA 0.013 56.424 56.400 0.019 0.000 1.148 221 E CB 1.141 30.853 29.700 0.019 0.000 1.059 221 E HN 0.546 nan 8.360 nan 0.000 0.493 222 V N 0.515 120.445 119.914 0.027 0.000 2.656 222 V HA 0.651 4.815 4.120 0.072 0.000 0.307 222 V C 0.113 176.213 176.094 0.010 0.000 1.051 222 V CA -0.982 61.341 62.300 0.038 0.000 0.893 222 V CB 1.960 33.809 31.823 0.044 0.000 0.999 222 V HN 0.170 nan 8.190 nan 0.000 0.426 223 G N 3.489 112.280 108.800 -0.015 0.000 2.530 223 G HA2 0.713 4.716 3.960 0.072 0.000 0.316 223 G HA3 0.713 4.716 3.960 0.072 0.000 0.316 223 G C -1.108 173.743 174.900 -0.081 0.000 1.298 223 G CA -0.542 44.534 45.100 -0.039 0.000 0.948 223 G HN 0.613 nan 8.290 nan 0.000 0.486 224 M N 2.916 122.473 119.600 -0.070 0.000 2.395 224 M HA 0.601 5.124 4.480 0.072 0.000 0.307 224 M C -1.561 174.672 176.300 -0.112 0.000 1.091 224 M CA -0.915 54.327 55.300 -0.096 0.000 0.919 224 M CB 1.890 34.496 32.600 0.011 0.000 1.662 224 M HN 0.212 nan 8.290 nan 0.000 0.440 225 I N 5.364 125.871 120.570 -0.106 0.000 2.436 225 I HA 0.399 4.612 4.170 0.072 0.000 0.289 225 I C -0.751 175.340 176.117 -0.043 0.000 1.010 225 I CA -0.679 60.567 61.300 -0.090 0.000 1.098 225 I CB 1.784 39.727 38.000 -0.096 0.000 1.266 225 I HN 0.456 nan 8.210 nan 0.000 0.434 226 V N 5.769 125.636 119.914 -0.078 0.000 2.383 226 V HA 0.536 4.700 4.120 0.072 0.000 0.261 226 V C 0.593 176.605 176.094 -0.136 0.000 0.987 226 V CA -0.284 61.954 62.300 -0.103 0.000 0.853 226 V CB 0.640 32.345 31.823 -0.196 0.000 1.095 226 V HN 0.971 nan 8.190 nan 0.000 0.461 227 G N 1.640 110.382 108.800 -0.096 0.000 3.306 227 G HA2 0.228 4.232 3.960 0.072 0.000 0.202 227 G HA3 0.228 4.232 3.960 0.072 0.000 0.202 227 G C 1.021 175.865 174.900 -0.094 0.000 1.673 227 G CA 0.834 45.876 45.100 -0.096 0.000 0.776 227 G HN 0.331 nan 8.290 nan 0.000 0.740 228 T N 0.655 115.159 114.554 -0.084 0.000 2.708 228 T HA 0.163 4.557 4.350 0.072 0.000 0.266 228 T C 1.316 175.982 174.700 -0.056 0.000 1.037 228 T CA 1.291 63.332 62.100 -0.098 0.000 1.146 228 T CB -0.433 68.385 68.868 -0.082 0.000 0.865 228 T HN 0.589 nan 8.240 nan 0.000 0.435 229 G N -1.040 107.752 108.800 -0.015 0.000 2.705 229 G HA2 0.503 4.506 3.960 0.072 0.000 0.299 229 G HA3 0.503 4.506 3.960 0.072 0.000 0.299 229 G C -1.351 173.589 174.900 0.068 0.000 1.315 229 G CA -0.562 44.578 45.100 0.067 0.000 1.045 229 G HN 0.443 nan 8.290 nan 0.000 0.517 230 C N 0.628 120.020 119.300 0.154 0.000 2.551 230 C HA 0.819 5.322 4.460 0.072 0.000 0.332 230 C C -0.675 174.523 174.990 0.345 0.000 1.139 230 C CA -0.738 58.426 59.018 0.244 0.000 1.328 230 C CB 0.498 28.409 27.740 0.284 0.000 1.903 230 C HN 0.905 nan 8.230 nan 0.000 0.459 231 N N 2.690 121.456 118.700 0.110 0.000 2.927 231 N HA 0.850 5.634 4.740 0.072 0.000 0.248 231 N C -1.446 173.613 175.510 -0.752 0.000 1.443 231 N CA 0.206 53.044 53.050 -0.354 0.000 0.870 231 N CB 2.164 40.539 38.487 -0.186 0.000 1.444 231 N HN 1.119 nan 8.380 nan 0.000 0.519 232 A N -0.123 122.040 122.820 -1.095 0.000 2.572 232 A HA 0.740 5.104 4.320 0.072 0.000 0.295 232 A C -0.828 176.523 177.584 -0.388 0.000 1.072 232 A CA -0.480 51.088 52.037 -0.781 0.000 0.691 232 A CB 0.131 18.427 19.000 -1.174 0.000 1.291 232 A HN 1.216 nan 8.150 nan 0.000 0.404 233 C N -0.382 118.808 119.300 -0.184 0.000 2.889 233 C HA 1.057 5.561 4.460 0.072 0.000 0.307 233 C C -0.933 174.104 174.990 0.077 0.000 1.251 233 C CA -0.900 58.088 59.018 -0.051 0.000 1.593 233 C CB 0.560 28.237 27.740 -0.104 0.000 2.104 233 C HN 1.788 nan 8.230 nan 0.000 0.476 234 Y N -0.169 120.068 120.300 -0.105 0.000 2.656 234 Y HA 0.727 5.320 4.550 0.072 0.000 0.334 234 Y C -0.939 174.912 175.900 -0.080 0.000 1.179 234 Y CA -1.512 56.541 58.100 -0.080 0.000 1.050 234 Y CB 0.959 39.385 38.460 -0.057 0.000 1.308 234 Y HN 0.587 nan 8.280 nan 0.000 0.456 235 M N 3.137 122.651 119.600 -0.144 0.000 2.193 235 M HA 0.243 4.766 4.480 0.072 0.000 0.342 235 M C -0.421 175.753 176.300 -0.211 0.000 1.413 235 M CA -0.014 55.155 55.300 -0.219 0.000 1.191 235 M CB -0.097 32.437 32.600 -0.110 0.000 1.633 235 M HN 0.802 nan 8.290 nan 0.000 0.458 236 E N 2.729 122.687 120.200 -0.403 0.000 2.283 236 E HA 0.249 4.642 4.350 0.072 0.000 0.271 236 E C -0.612 175.920 176.600 -0.113 0.000 1.031 236 E CA -0.322 55.953 56.400 -0.207 0.000 0.868 236 E CB 0.907 30.421 29.700 -0.309 0.000 1.094 236 E HN 0.325 nan 8.360 nan 0.000 0.401 237 E N 4.272 124.449 120.200 -0.039 0.000 2.324 237 E HA -0.004 4.390 4.350 0.072 0.000 0.271 237 E C 0.879 177.441 176.600 -0.064 0.000 1.028 237 E CA -0.086 56.287 56.400 -0.044 0.000 0.890 237 E CB 0.523 30.214 29.700 -0.015 0.000 1.004 237 E HN 0.656 nan 8.360 nan 0.000 0.431 238 M N 2.138 121.691 119.600 -0.078 0.000 2.260 238 M HA -0.238 4.286 4.480 0.072 0.000 0.261 238 M C 1.877 178.139 176.300 -0.063 0.000 1.066 238 M CA 1.693 56.941 55.300 -0.087 0.000 1.082 238 M CB -0.733 31.817 32.600 -0.084 0.000 1.388 238 M HN 0.534 nan 8.290 nan 0.000 0.419 239 Q N -0.955 118.819 119.800 -0.043 0.000 2.291 239 Q HA -0.114 4.269 4.340 0.072 0.000 0.205 239 Q C 1.039 177.025 176.000 -0.023 0.000 0.970 239 Q CA 1.205 56.990 55.803 -0.030 0.000 0.876 239 Q CB -0.358 28.368 28.738 -0.020 0.000 0.935 239 Q HN 0.442 nan 8.270 nan 0.000 0.455 240 N N 0.492 119.179 118.700 -0.023 0.000 2.325 240 N HA 0.064 4.847 4.740 0.072 0.000 0.182 240 N C -0.325 175.174 175.510 -0.019 0.000 1.088 240 N CA 0.276 53.322 53.050 -0.007 0.000 0.879 240 N CB 0.908 39.405 38.487 0.017 0.000 0.983 240 N HN 0.057 nan 8.380 nan 0.000 0.471 241 V N 2.486 122.369 119.914 -0.052 0.000 2.162 241 V HA 0.104 4.268 4.120 0.072 0.000 0.255 241 V C 1.201 177.250 176.094 -0.074 0.000 1.304 241 V CA -0.152 62.100 62.300 -0.080 0.000 1.198 241 V CB -0.284 31.456 31.823 -0.139 0.000 1.333 241 V HN 0.126 nan 8.190 nan 0.000 0.493 242 E N 2.095 122.266 120.200 -0.049 0.000 2.267 242 E HA -0.164 4.230 4.350 0.072 0.000 0.197 242 E C 1.671 178.235 176.600 -0.059 0.000 0.998 242 E CA 0.929 57.304 56.400 -0.041 0.000 0.830 242 E CB 0.097 29.786 29.700 -0.019 0.000 0.751 242 E HN 0.588 nan 8.360 nan 0.000 0.491 243 L N 0.835 122.002 121.223 -0.093 0.000 2.478 243 L HA 0.037 4.420 4.340 0.072 0.000 0.223 243 L C 0.696 177.522 176.870 -0.074 0.000 1.140 243 L CA 0.582 55.358 54.840 -0.108 0.000 0.842 243 L CB -0.010 41.936 42.059 -0.189 0.000 0.953 243 L HN -0.075 nan 8.230 nan 0.000 0.452 244 V N -0.630 119.227 119.914 -0.094 0.000 2.715 244 V HA 0.267 4.430 4.120 0.072 0.000 0.310 244 V C -0.055 176.008 176.094 -0.051 0.000 1.054 244 V CA -1.007 61.242 62.300 -0.084 0.000 0.928 244 V CB 2.556 34.237 31.823 -0.236 0.000 1.007 244 V HN -0.052 nan 8.190 nan 0.000 0.437 245 E N 2.170 122.363 120.200 -0.011 0.000 2.344 245 E HA 0.549 4.943 4.350 0.072 0.000 0.270 245 E C 0.316 176.904 176.600 -0.021 0.000 1.021 245 E CA 1.511 57.906 56.400 -0.007 0.000 0.887 245 E CB 0.776 30.485 29.700 0.015 0.000 0.997 245 E HN 1.148 nan 8.360 nan 0.000 0.429 246 G N 3.506 112.291 108.800 -0.025 0.000 2.576 246 G HA2 -0.084 3.919 3.960 0.072 0.000 0.686 246 G HA3 -0.084 3.919 3.960 0.072 0.000 0.686 246 G C -0.518 174.359 174.900 -0.039 0.000 1.242 246 G CA -0.423 44.660 45.100 -0.029 0.000 0.819 246 G HN 0.498 nan 8.290 nan 0.000 0.655 247 D N 0.078 120.457 120.400 -0.034 0.000 2.527 247 D HA 0.209 4.893 4.640 0.072 0.000 0.224 247 D C 0.504 176.783 176.300 -0.036 0.000 1.217 247 D CA 0.211 54.191 54.000 -0.034 0.000 0.819 247 D CB 1.219 42.005 40.800 -0.025 0.000 1.061 247 D HN 0.453 nan 8.370 nan 0.000 0.515 248 E N 0.403 120.581 120.200 -0.037 0.000 2.191 248 E HA 0.527 4.921 4.350 0.072 0.000 0.278 248 E C 0.699 177.270 176.600 -0.048 0.000 0.972 248 E CA -0.071 56.307 56.400 -0.037 0.000 0.804 248 E CB 1.366 31.048 29.700 -0.029 0.000 1.110 248 E HN 0.129 nan 8.360 nan 0.000 0.394 249 G N 2.764 111.535 108.800 -0.048 0.000 2.593 249 G HA2 -0.261 3.743 3.960 0.072 0.000 0.237 249 G HA3 -0.261 3.743 3.960 0.072 0.000 0.237 249 G C -0.634 174.221 174.900 -0.075 0.000 1.312 249 G CA -0.253 44.810 45.100 -0.060 0.000 0.896 249 G HN 0.561 nan 8.290 nan 0.000 0.574 250 R N -1.080 119.363 120.500 -0.095 0.000 2.795 250 R HA 0.793 5.177 4.340 0.072 0.000 0.275 250 R C -0.020 176.187 176.300 -0.154 0.000 0.981 250 R CA -0.605 55.425 56.100 -0.117 0.000 0.917 250 R CB 1.865 32.100 30.300 -0.109 0.000 1.202 250 R HN 0.790 nan 8.270 nan 0.000 0.469 251 M N 1.841 121.325 119.600 -0.193 0.000 2.518 251 M HA 0.389 4.912 4.480 0.072 0.000 0.300 251 M C -1.125 175.001 176.300 -0.290 0.000 1.175 251 M CA -0.740 54.419 55.300 -0.235 0.000 0.890 251 M CB 1.885 34.325 32.600 -0.266 0.000 1.710 251 M HN 0.765 nan 8.290 nan 0.000 0.453 252 C N 3.877 123.010 119.300 -0.278 0.000 2.648 252 C HA 0.515 5.018 4.460 0.072 0.000 0.419 252 C C -0.312 174.478 174.990 -0.333 0.000 1.352 252 C CA -0.106 58.729 59.018 -0.305 0.000 1.816 252 C CB -0.325 27.277 27.740 -0.229 0.000 2.598 252 C HN 0.595 nan 8.230 nan 0.000 0.598 253 V N 7.003 126.658 119.914 -0.431 0.000 2.444 253 V HA 0.301 4.465 4.120 0.072 0.000 0.294 253 V C -0.057 175.931 176.094 -0.176 0.000 1.022 253 V CA -0.465 61.637 62.300 -0.330 0.000 0.850 253 V CB 1.660 33.226 31.823 -0.428 0.000 0.992 253 V HN 0.868 nan 8.190 nan 0.000 0.426 254 N N 3.288 121.939 118.700 -0.083 0.000 2.439 254 N HA 0.091 4.874 4.740 0.072 0.000 0.243 254 N C 1.400 176.919 175.510 0.015 0.000 1.088 254 N CA 0.461 53.487 53.050 -0.039 0.000 0.940 254 N CB 1.500 39.979 38.487 -0.013 0.000 1.180 254 N HN 0.815 nan 8.380 nan 0.000 0.505 255 T N 0.335 114.895 114.554 0.011 0.000 2.720 255 T HA -0.161 4.232 4.350 0.072 0.000 0.268 255 T C 0.220 174.976 174.700 0.093 0.000 1.037 255 T CA 0.883 63.028 62.100 0.075 0.000 1.144 255 T CB -0.354 68.549 68.868 0.057 0.000 0.864 255 T HN 0.571 nan 8.240 nan 0.000 0.444 256 E N 0.626 120.848 120.200 0.037 0.000 2.297 256 E HA -0.154 4.240 4.350 0.072 0.000 0.228 256 E C 0.182 176.935 176.600 0.256 0.000 1.213 256 E CA 0.805 57.269 56.400 0.107 0.000 0.712 256 E CB -1.826 27.945 29.700 0.117 0.000 1.202 256 E HN 0.996 nan 8.360 nan 0.000 0.376 257 W N -0.799 120.573 121.300 0.120 0.000 2.825 257 W HA 0.254 4.958 4.660 0.074 0.000 0.243 257 W C 1.551 178.222 176.519 0.254 0.000 1.293 257 W CA 0.481 57.889 57.345 0.104 0.000 1.403 257 W CB -1.239 28.225 29.460 0.006 0.000 1.134 257 W HN 0.130 nan 8.180 nan 0.000 0.666 258 G N 1.398 110.665 108.800 0.778 0.000 2.475 258 G HA2 -0.174 3.829 3.960 0.072 0.000 0.220 258 G HA3 -0.174 3.829 3.960 0.072 0.000 0.220 258 G C 1.694 176.844 174.900 0.416 0.000 1.125 258 G CA 1.722 47.176 45.100 0.591 0.000 0.755 258 G HN 0.481 nan 8.290 nan 0.000 0.565 259 A N -0.295 122.721 122.820 0.328 0.000 2.238 259 A HA 0.446 4.810 4.320 0.072 0.000 0.208 259 A C 0.765 178.474 177.584 0.209 0.000 1.177 259 A CA -0.644 51.527 52.037 0.222 0.000 0.804 259 A CB -0.334 18.767 19.000 0.168 0.000 0.823 259 A HN 0.285 nan 8.150 nan 0.000 0.482 260 F N 0.970 120.972 119.950 0.086 0.000 2.629 260 F HA 0.330 4.900 4.527 0.072 0.000 0.377 260 F C 1.406 177.231 175.800 0.041 0.000 1.101 260 F CA 1.296 59.284 58.000 -0.020 0.000 1.301 260 F CB 0.282 39.116 39.000 -0.277 0.000 1.062 260 F HN 0.385 nan 8.300 nan 0.000 0.583 261 G N 3.845 112.234 108.800 -0.686 0.000 2.195 261 G HA2 -0.313 3.690 3.960 0.072 0.000 0.246 261 G HA3 -0.313 3.690 3.960 0.072 0.000 0.246 261 G C 0.762 175.550 174.900 -0.187 0.000 0.984 261 G CA 0.317 45.149 45.100 -0.447 0.000 0.633 261 G HN 0.623 nan 8.290 nan 0.000 0.525 262 D N 0.626 120.963 120.400 -0.106 0.000 2.317 262 D HA 0.168 4.852 4.640 0.072 0.000 0.211 262 D C 2.010 178.280 176.300 -0.050 0.000 0.966 262 D CA 1.339 55.314 54.000 -0.042 0.000 0.876 262 D CB 0.038 40.842 40.800 0.007 0.000 0.927 262 D HN 0.415 nan 8.370 nan 0.000 0.519 263 S N -1.012 114.641 115.700 -0.079 0.000 2.601 263 S HA 0.437 4.951 4.470 0.072 0.000 0.244 263 S C 1.342 175.890 174.600 -0.086 0.000 1.001 263 S CA 0.042 58.203 58.200 -0.065 0.000 0.984 263 S CB 1.062 64.233 63.200 -0.048 0.000 0.842 263 S HN 0.309 nan 8.310 nan 0.000 0.474 264 G N 1.850 110.583 108.800 -0.112 0.000 2.159 264 G HA2 -0.247 3.756 3.960 0.072 0.000 0.227 264 G HA3 -0.247 3.756 3.960 0.072 0.000 0.227 264 G C 0.445 175.260 174.900 -0.141 0.000 0.986 264 G CA 0.138 45.174 45.100 -0.108 0.000 0.651 264 G HN 0.493 nan 8.290 nan 0.000 0.523 265 E N -0.286 119.769 120.200 -0.241 0.000 2.338 265 E HA 0.212 4.606 4.350 0.072 0.000 0.197 265 E C 2.217 178.694 176.600 -0.206 0.000 1.007 265 E CA 0.815 57.039 56.400 -0.292 0.000 0.849 265 E CB -0.008 29.323 29.700 -0.615 0.000 0.774 265 E HN 0.618 nan 8.360 nan 0.000 0.506 266 L N 0.172 121.297 121.223 -0.163 0.000 2.766 266 L HA 0.112 4.496 4.340 0.072 0.000 0.242 266 L C 0.734 177.649 176.870 0.075 0.000 1.136 266 L CA -0.202 54.691 54.840 0.090 0.000 0.933 266 L CB 0.396 42.503 42.059 0.079 0.000 1.241 266 L HN -0.043 nan 8.230 nan 0.000 0.522 267 D N 1.362 121.731 120.400 -0.052 0.000 2.149 267 D HA -0.278 4.405 4.640 0.072 0.000 0.194 267 D C 1.882 178.082 176.300 -0.166 0.000 1.001 267 D CA 1.738 55.685 54.000 -0.089 0.000 0.849 267 D CB 0.080 40.822 40.800 -0.096 0.000 0.939 267 D HN 0.544 nan 8.370 nan 0.000 0.449 268 E N -0.423 119.578 120.200 -0.331 0.000 2.401 268 E HA -0.165 4.229 4.350 0.072 0.000 0.199 268 E C 0.944 177.186 176.600 -0.598 0.000 1.023 268 E CA 0.798 56.878 56.400 -0.534 0.000 0.859 268 E CB -0.255 29.018 29.700 -0.711 0.000 0.780 268 E HN 0.286 nan 8.360 nan 0.000 0.523 269 F N 0.646 120.582 119.950 -0.023 0.000 2.706 269 F HA 0.326 4.897 4.527 0.073 0.000 0.308 269 F C 0.555 176.331 175.800 -0.040 0.000 1.095 269 F CA -0.456 57.533 58.000 -0.018 0.000 1.244 269 F CB 0.350 39.362 39.000 0.020 0.000 1.063 269 F HN -0.132 nan 8.300 nan 0.000 0.582 270 L N 1.832 123.099 121.223 0.074 0.000 2.380 270 L HA 0.252 4.636 4.340 0.072 0.000 0.273 270 L C -0.365 176.480 176.870 -0.041 0.000 1.138 270 L CA -0.527 54.328 54.840 0.026 0.000 0.832 270 L CB 0.522 42.586 42.059 0.008 0.000 1.124 270 L HN -0.111 nan 8.230 nan 0.000 0.454 271 L N 2.002 123.188 121.223 -0.063 0.000 2.332 271 L HA 0.195 4.578 4.340 0.072 0.000 0.269 271 L C 1.407 178.167 176.870 -0.183 0.000 1.016 271 L CA -0.171 54.580 54.840 -0.148 0.000 0.809 271 L CB 1.226 43.175 42.059 -0.182 0.000 1.280 271 L HN 0.707 nan 8.230 nan 0.000 0.447 272 E N 0.537 120.533 120.200 -0.341 0.000 2.136 272 E HA -0.323 4.071 4.350 0.072 0.000 0.202 272 E C 1.330 177.765 176.600 -0.275 0.000 1.019 272 E CA 2.367 58.549 56.400 -0.363 0.000 0.819 272 E CB -0.452 28.953 29.700 -0.491 0.000 0.739 272 E HN 0.656 nan 8.360 nan 0.000 0.458 273 Y N 1.725 122.021 120.300 -0.005 0.000 2.293 273 Y HA -0.104 4.489 4.550 0.072 0.000 0.291 273 Y C 2.220 178.146 175.900 0.045 0.000 1.137 273 Y CA 1.121 59.249 58.100 0.047 0.000 1.202 273 Y CB -0.208 38.328 38.460 0.126 0.000 0.990 273 Y HN 0.050 nan 8.280 nan 0.000 0.537 274 D N 0.357 120.848 120.400 0.152 0.000 2.117 274 D HA -0.110 4.573 4.640 0.072 0.000 0.198 274 D C 2.053 178.373 176.300 0.034 0.000 0.982 274 D CA 1.002 55.055 54.000 0.088 0.000 0.828 274 D CB -0.254 40.583 40.800 0.061 0.000 0.967 274 D HN 0.441 nan 8.370 nan 0.000 0.464 275 R N 0.609 121.111 120.500 0.005 0.000 2.081 275 R HA -0.047 4.336 4.340 0.072 0.000 0.235 275 R C 2.674 178.980 176.300 0.009 0.000 1.131 275 R CA 0.629 56.724 56.100 -0.009 0.000 0.960 275 R CB -0.619 29.660 30.300 -0.034 0.000 0.856 275 R HN 0.209 nan 8.270 nan 0.000 0.436 276 L N 0.555 121.792 121.223 0.023 0.000 2.046 276 L HA -0.167 4.217 4.340 0.072 0.000 0.208 276 L C 2.540 179.449 176.870 0.066 0.000 1.077 276 L CA 1.004 55.871 54.840 0.045 0.000 0.747 276 L CB -0.459 41.639 42.059 0.064 0.000 0.896 276 L HN 0.002 nan 8.230 nan 0.000 0.432 277 V N -0.026 119.939 119.914 0.084 0.000 2.343 277 V HA -0.320 3.844 4.120 0.072 0.000 0.247 277 V C 2.226 178.350 176.094 0.050 0.000 1.051 277 V CA 2.155 64.512 62.300 0.095 0.000 1.036 277 V CB -0.417 31.477 31.823 0.120 0.000 0.654 277 V HN 0.514 nan 8.190 nan 0.000 0.451 278 D N 0.118 120.523 120.400 0.008 0.000 2.097 278 D HA -0.200 4.484 4.640 0.072 0.000 0.195 278 D C 2.135 178.445 176.300 0.017 0.000 0.989 278 D CA 1.629 55.619 54.000 -0.015 0.000 0.827 278 D CB -0.112 40.672 40.800 -0.025 0.000 0.966 278 D HN 0.539 nan 8.370 nan 0.000 0.456 279 E N -0.648 119.566 120.200 0.023 0.000 2.268 279 E HA -0.071 4.323 4.350 0.072 0.000 0.195 279 E C 1.423 178.047 176.600 0.040 0.000 0.995 279 E CA 1.049 57.465 56.400 0.027 0.000 0.836 279 E CB 0.020 29.732 29.700 0.020 0.000 0.763 279 E HN 0.309 nan 8.360 nan 0.000 0.491 280 S N -0.031 115.702 115.700 0.054 0.000 2.582 280 S HA 0.099 4.612 4.470 0.072 0.000 0.234 280 S C 0.596 175.244 174.600 0.081 0.000 0.961 280 S CA -0.502 57.735 58.200 0.062 0.000 0.953 280 S CB 0.150 63.388 63.200 0.064 0.000 0.800 280 S HN 0.101 nan 8.310 nan 0.000 0.471 281 S N 0.471 116.224 115.700 0.089 0.000 2.693 281 S HA 0.779 5.293 4.470 0.072 0.000 0.276 281 S C 1.253 175.918 174.600 0.107 0.000 1.192 281 S CA -0.325 57.952 58.200 0.129 0.000 0.994 281 S CB 1.180 64.467 63.200 0.146 0.000 1.012 281 S HN 0.405 nan 8.310 nan 0.000 0.550 282 A N 0.907 123.803 122.820 0.127 0.000 2.067 282 A HA 0.035 4.399 4.320 0.072 0.000 0.219 282 A C 0.935 178.589 177.584 0.116 0.000 1.158 282 A CA 1.070 53.170 52.037 0.106 0.000 0.661 282 A CB -0.903 18.159 19.000 0.104 0.000 0.801 282 A HN 0.955 nan 8.150 nan 0.000 0.452 283 N N -0.612 118.165 118.700 0.128 0.000 2.765 283 N HA 0.260 5.043 4.740 0.072 0.000 0.277 283 N C -3.503 172.054 175.510 0.079 0.000 1.750 283 N CA -2.160 50.960 53.050 0.118 0.000 0.827 283 N CB 0.285 38.865 38.487 0.156 0.000 1.200 283 N HN 0.039 nan 8.380 nan 0.000 0.494 284 P HA 0.241 nan 4.420 nan 0.000 0.271 284 P C 0.996 178.314 177.300 0.030 0.000 1.216 284 P CA 0.800 63.923 63.100 0.037 0.000 0.771 284 P CB 0.885 32.606 31.700 0.035 0.000 0.864 285 G N 1.781 110.589 108.800 0.015 0.000 2.199 285 G HA2 -0.214 3.790 3.960 0.072 0.000 0.254 285 G HA3 -0.214 3.790 3.960 0.072 0.000 0.254 285 G C 0.003 174.914 174.900 0.018 0.000 0.982 285 G CA -0.168 44.939 45.100 0.011 0.000 0.632 285 G HN 0.606 nan 8.290 nan 0.000 0.529 286 Q N -0.719 119.100 119.800 0.031 0.000 2.351 286 Q HA 0.615 4.999 4.340 0.072 0.000 0.273 286 Q C 0.108 176.138 176.000 0.049 0.000 1.077 286 Q CA -0.939 54.896 55.803 0.053 0.000 0.843 286 Q CB 1.148 29.937 28.738 0.083 0.000 1.367 286 Q HN 0.190 nan 8.270 nan 0.000 0.449 287 Q N 0.821 120.672 119.800 0.086 0.000 2.451 287 Q HA -0.228 4.155 4.340 0.072 0.000 0.305 287 Q C 0.383 176.415 176.000 0.054 0.000 1.345 287 Q CA 0.533 56.401 55.803 0.109 0.000 0.854 287 Q CB -1.746 27.066 28.738 0.124 0.000 1.162 287 Q HN 0.772 nan 8.270 nan 0.000 0.440 288 L N -1.594 119.667 121.223 0.064 0.000 2.109 288 L HA -0.161 4.222 4.340 0.072 0.000 0.207 288 L C 2.062 178.989 176.870 0.095 0.000 1.086 288 L CA 1.542 56.400 54.840 0.030 0.000 0.760 288 L CB -0.456 41.612 42.059 0.014 0.000 0.910 288 L HN 0.383 nan 8.230 nan 0.000 0.437 289 Y N 1.318 121.652 120.300 0.057 0.000 2.163 289 Y HA -0.302 4.291 4.550 0.072 0.000 0.288 289 Y C 2.659 178.607 175.900 0.081 0.000 1.136 289 Y CA 1.997 60.157 58.100 0.099 0.000 1.147 289 Y CB -0.240 38.338 38.460 0.197 0.000 0.987 289 Y HN 0.229 nan 8.280 nan 0.000 0.509 290 E N 0.415 120.695 120.200 0.133 0.000 2.130 290 E HA -0.282 4.112 4.350 0.072 0.000 0.196 290 E C 1.840 178.453 176.600 0.022 0.000 0.998 290 E CA 1.825 58.276 56.400 0.085 0.000 0.806 290 E CB -0.204 29.630 29.700 0.223 0.000 0.738 290 E HN 0.489 nan 8.360 nan 0.000 0.459 291 K N -0.068 120.254 120.400 -0.130 0.000 2.442 291 K HA -0.044 4.319 4.320 0.072 0.000 0.198 291 K C 1.829 178.392 176.600 -0.062 0.000 1.042 291 K CA 0.523 56.615 56.287 -0.325 0.000 0.958 291 K CB 0.081 32.268 32.500 -0.522 0.000 0.766 291 K HN 0.275 nan 8.250 nan 0.000 0.474 292 L N -0.211 120.987 121.223 -0.041 0.000 2.446 292 L HA 0.043 4.427 4.340 0.072 0.000 0.219 292 L C 1.672 178.540 176.870 -0.003 0.000 1.116 292 L CA 0.649 55.485 54.840 -0.007 0.000 0.844 292 L CB 0.092 42.123 42.059 -0.048 0.000 0.970 292 L HN 0.138 nan 8.230 nan 0.000 0.457 293 I N -1.572 118.983 120.570 -0.026 0.000 3.739 293 I HA 0.177 4.390 4.170 0.072 0.000 0.272 293 I C 1.460 177.594 176.117 0.029 0.000 1.167 293 I CA -0.010 61.284 61.300 -0.010 0.000 1.386 293 I CB -0.221 37.715 38.000 -0.107 0.000 1.490 293 I HN 0.031 nan 8.210 nan 0.000 0.452 294 G N 0.522 109.383 108.800 0.102 0.000 2.484 294 G HA2 0.217 4.220 3.960 0.072 0.000 0.235 294 G HA3 0.217 4.220 3.960 0.072 0.000 0.235 294 G C 1.028 175.947 174.900 0.032 0.000 1.282 294 G CA 0.318 45.474 45.100 0.094 0.000 0.857 294 G HN 0.407 nan 8.290 nan 0.000 0.571 295 G N 0.387 109.140 108.800 -0.077 0.000 2.509 295 G HA2 -0.158 3.845 3.960 0.072 0.000 0.218 295 G HA3 -0.158 3.845 3.960 0.072 0.000 0.218 295 G C 1.535 176.329 174.900 -0.176 0.000 1.124 295 G CA 0.893 45.926 45.100 -0.111 0.000 0.776 295 G HN 0.667 nan 8.290 nan 0.000 0.547 296 K N -0.524 119.678 120.400 -0.330 0.000 2.209 296 K HA -0.080 4.283 4.320 0.072 0.000 0.204 296 K C 1.404 177.625 176.600 -0.631 0.000 1.048 296 K CA 1.173 57.105 56.287 -0.591 0.000 0.940 296 K CB -0.184 31.756 32.500 -0.932 0.000 0.729 296 K HN 0.536 nan 8.250 nan 0.000 0.451 297 Y N -1.582 118.728 120.300 0.016 0.000 2.430 297 Y HA 0.186 4.780 4.550 0.073 0.000 0.254 297 Y C 1.926 177.846 175.900 0.032 0.000 1.088 297 Y CA -0.348 57.771 58.100 0.032 0.000 1.267 297 Y CB 0.039 38.524 38.460 0.042 0.000 1.204 297 Y HN -0.055 nan 8.280 nan 0.000 0.515 298 M N 0.527 120.198 119.600 0.118 0.000 2.067 298 M HA -0.118 4.406 4.480 0.072 0.000 0.260 298 M C 2.269 178.620 176.300 0.085 0.000 1.069 298 M CA 2.353 57.703 55.300 0.082 0.000 1.117 298 M CB -0.409 32.211 32.600 0.034 0.000 1.334 298 M HN 0.426 nan 8.290 nan 0.000 0.407 299 G N -0.661 108.199 108.800 0.100 0.000 2.402 299 G HA2 -0.262 3.741 3.960 0.072 0.000 0.216 299 G HA3 -0.262 3.741 3.960 0.072 0.000 0.216 299 G C 1.209 176.214 174.900 0.176 0.000 1.162 299 G CA 1.161 46.391 45.100 0.218 0.000 0.777 299 G HN 0.505 nan 8.290 nan 0.000 0.539 300 E N 0.550 120.823 120.200 0.122 0.000 2.085 300 E HA -0.078 4.316 4.350 0.072 0.000 0.194 300 E C 2.494 179.150 176.600 0.093 0.000 0.994 300 E CA 0.788 57.257 56.400 0.116 0.000 0.801 300 E CB -0.491 29.285 29.700 0.126 0.000 0.743 300 E HN 0.443 nan 8.360 nan 0.000 0.453 301 L N -0.625 120.655 121.223 0.096 0.000 2.042 301 L HA -0.199 4.185 4.340 0.072 0.000 0.210 301 L C 2.430 179.255 176.870 -0.075 0.000 1.076 301 L CA 1.119 56.001 54.840 0.071 0.000 0.749 301 L CB -0.425 41.697 42.059 0.105 0.000 0.893 301 L HN 0.110 nan 8.230 nan 0.000 0.432 302 V N -0.386 119.440 119.914 -0.147 0.000 2.343 302 V HA -0.310 3.854 4.120 0.072 0.000 0.247 302 V C 2.629 178.488 176.094 -0.392 0.000 1.051 302 V CA 1.831 63.918 62.300 -0.354 0.000 1.036 302 V CB -0.702 30.829 31.823 -0.486 0.000 0.654 302 V HN 0.451 nan 8.190 nan 0.000 0.451 303 R N -0.409 119.944 120.500 -0.246 0.000 2.083 303 R HA -0.183 4.200 4.340 0.072 0.000 0.237 303 R C 2.210 178.489 176.300 -0.034 0.000 1.137 303 R CA 1.621 57.657 56.100 -0.106 0.000 0.951 303 R CB -0.242 30.104 30.300 0.077 0.000 0.851 303 R HN 0.317 nan 8.270 nan 0.000 0.434 304 L N 0.279 121.510 121.223 0.013 0.000 2.141 304 L HA -0.110 4.273 4.340 0.072 0.000 0.209 304 L C 2.333 179.259 176.870 0.095 0.000 1.094 304 L CA 1.150 56.058 54.840 0.114 0.000 0.763 304 L CB -0.769 41.430 42.059 0.233 0.000 0.908 304 L HN 0.076 nan 8.230 nan 0.000 0.437 305 V N -0.460 119.354 119.914 -0.166 0.000 2.343 305 V HA -0.268 3.895 4.120 0.072 0.000 0.247 305 V C 2.518 178.546 176.094 -0.109 0.000 1.051 305 V CA 1.296 63.427 62.300 -0.281 0.000 1.036 305 V CB -0.432 31.106 31.823 -0.475 0.000 0.654 305 V HN 0.329 nan 8.190 nan 0.000 0.451 306 L N -0.927 120.218 121.223 -0.130 0.000 2.083 306 L HA -0.161 4.222 4.340 0.072 0.000 0.209 306 L C 2.474 179.357 176.870 0.020 0.000 1.083 306 L CA 0.905 55.700 54.840 -0.075 0.000 0.752 306 L CB -0.638 41.393 42.059 -0.047 0.000 0.899 306 L HN 0.298 nan 8.230 nan 0.000 0.433 307 L N 0.254 121.513 121.223 0.060 0.000 2.046 307 L HA -0.185 4.199 4.340 0.072 0.000 0.208 307 L C 2.762 179.683 176.870 0.086 0.000 1.077 307 L CA 1.700 56.594 54.840 0.091 0.000 0.747 307 L CB -1.089 41.029 42.059 0.100 0.000 0.896 307 L HN 0.257 nan 8.230 nan 0.000 0.432 308 R N -0.517 120.052 120.500 0.114 0.000 2.081 308 R HA -0.152 4.231 4.340 0.072 0.000 0.235 308 R C 2.048 178.386 176.300 0.063 0.000 1.131 308 R CA 1.390 57.564 56.100 0.123 0.000 0.960 308 R CB -0.617 29.835 30.300 0.253 0.000 0.856 308 R HN 0.146 nan 8.270 nan 0.000 0.436 309 L N 0.083 121.320 121.223 0.022 0.000 2.083 309 L HA -0.086 4.298 4.340 0.072 0.000 0.209 309 L C 2.345 179.182 176.870 -0.055 0.000 1.083 309 L CA 1.237 56.052 54.840 -0.041 0.000 0.752 309 L CB -0.823 41.168 42.059 -0.113 0.000 0.899 309 L HN 0.087 nan 8.230 nan 0.000 0.433 310 V N -0.492 119.408 119.914 -0.023 0.000 2.343 310 V HA -0.291 3.872 4.120 0.072 0.000 0.247 310 V C 2.197 178.313 176.094 0.037 0.000 1.051 310 V CA 1.909 64.225 62.300 0.025 0.000 1.036 310 V CB -0.497 31.397 31.823 0.119 0.000 0.654 310 V HN 0.408 nan 8.190 nan 0.000 0.451 311 D N -0.277 120.148 120.400 0.041 0.000 2.264 311 D HA -0.130 4.554 4.640 0.072 0.000 0.208 311 D C 1.883 178.197 176.300 0.023 0.000 0.966 311 D CA 0.714 54.736 54.000 0.037 0.000 0.864 311 D CB 0.062 40.887 40.800 0.042 0.000 0.933 311 D HN 0.424 nan 8.370 nan 0.000 0.499 312 E N 0.107 120.315 120.200 0.013 0.000 2.465 312 E HA 0.032 4.426 4.350 0.072 0.000 0.191 312 E C 0.150 176.745 176.600 -0.008 0.000 1.053 312 E CA -0.076 56.326 56.400 0.003 0.000 0.869 312 E CB 0.082 29.783 29.700 0.003 0.000 0.977 312 E HN 0.263 nan 8.360 nan 0.000 0.483 313 N N 0.534 119.231 118.700 -0.005 0.000 2.754 313 N HA -0.186 4.598 4.740 0.072 0.000 0.248 313 N C 0.328 175.816 175.510 -0.036 0.000 1.093 313 N CA 0.440 53.486 53.050 -0.007 0.000 0.699 313 N CB -1.206 37.278 38.487 -0.004 0.000 1.016 313 N HN 0.270 nan 8.380 nan 0.000 0.552 314 L N -0.933 120.251 121.223 -0.064 0.000 2.731 314 L HA 0.365 4.748 4.340 0.072 0.000 0.240 314 L C 0.647 177.413 176.870 -0.174 0.000 1.120 314 L CA 0.362 55.143 54.840 -0.097 0.000 0.913 314 L CB 0.502 42.512 42.059 -0.083 0.000 1.213 314 L HN 0.094 nan 8.230 nan 0.000 0.515 315 L N -0.462 120.629 121.223 -0.220 0.000 2.445 315 L HA 0.336 4.720 4.340 0.072 0.000 0.262 315 L C -0.754 175.923 176.870 -0.321 0.000 0.974 315 L CA -0.776 53.788 54.840 -0.460 0.000 0.822 315 L CB 2.145 43.791 42.059 -0.688 0.000 1.339 315 L HN -0.015 nan 8.230 nan 0.000 0.409 316 F N 4.084 123.980 119.950 -0.091 0.000 3.079 316 F HA -0.254 4.316 4.527 0.072 0.000 0.274 316 F C 1.211 177.017 175.800 0.011 0.000 0.940 316 F CA 1.220 59.179 58.000 -0.069 0.000 0.932 316 F CB -2.544 36.454 39.000 -0.004 0.000 0.891 316 F HN 0.819 nan 8.300 nan 0.000 0.722 317 H N -2.665 116.477 119.070 0.120 0.000 3.366 317 H HA -0.188 4.411 4.556 0.072 0.000 0.233 317 H C 1.734 177.098 175.328 0.060 0.000 1.102 317 H CA 1.803 57.895 56.048 0.073 0.000 1.184 317 H CB -1.331 28.478 29.762 0.077 0.000 1.216 317 H HN 1.412 nan 8.280 nan 0.000 0.317 318 G N 0.269 109.162 108.800 0.155 0.000 2.137 318 G HA2 -0.247 3.756 3.960 0.072 0.000 0.237 318 G HA3 -0.247 3.756 3.960 0.072 0.000 0.237 318 G C -0.159 174.817 174.900 0.127 0.000 1.002 318 G CA 0.535 45.702 45.100 0.110 0.000 0.702 318 G HN 0.547 nan 8.290 nan 0.000 0.515 319 E N -0.399 119.907 120.200 0.178 0.000 2.248 319 E HA 0.683 5.076 4.350 0.072 0.000 0.267 319 E C -0.021 176.676 176.600 0.161 0.000 0.877 319 E CA -0.284 56.200 56.400 0.141 0.000 0.759 319 E CB 1.988 31.754 29.700 0.111 0.000 1.182 319 E HN 0.722 nan 8.360 nan 0.000 0.418 320 A N 2.006 124.893 122.820 0.112 0.000 2.303 320 A HA 0.506 4.869 4.320 0.072 0.000 0.320 320 A C 0.101 177.701 177.584 0.026 0.000 1.192 320 A CA -0.754 51.337 52.037 0.091 0.000 0.821 320 A CB 0.777 19.843 19.000 0.111 0.000 1.188 320 A HN 0.644 nan 8.150 nan 0.000 0.492 321 S N 1.599 117.280 115.700 -0.032 0.000 2.569 321 S HA 0.057 4.570 4.470 0.072 0.000 0.274 321 S C 0.933 175.529 174.600 -0.007 0.000 1.353 321 S CA 0.618 58.794 58.200 -0.040 0.000 1.023 321 S CB 0.677 63.823 63.200 -0.091 0.000 0.876 321 S HN 0.794 nan 8.310 nan 0.000 0.540 322 E N 1.037 121.233 120.200 -0.006 0.000 2.118 322 E HA -0.212 4.181 4.350 0.072 0.000 0.195 322 E C 2.114 178.721 176.600 0.012 0.000 0.992 322 E CA 1.975 58.378 56.400 0.005 0.000 0.804 322 E CB -0.345 29.355 29.700 0.001 0.000 0.741 322 E HN 0.808 nan 8.360 nan 0.000 0.458 323 Q N -0.674 119.127 119.800 0.003 0.000 2.124 323 Q HA -0.132 4.251 4.340 0.072 0.000 0.202 323 Q C 2.142 178.170 176.000 0.046 0.000 0.977 323 Q CA 1.179 56.993 55.803 0.018 0.000 0.850 323 Q CB -0.158 28.582 28.738 0.003 0.000 0.901 323 Q HN 0.273 nan 8.270 nan 0.000 0.429 324 L N 0.617 121.864 121.223 0.039 0.000 2.201 324 L HA -0.114 4.269 4.340 0.072 0.000 0.212 324 L C 1.613 178.535 176.870 0.086 0.000 1.105 324 L CA 1.612 56.501 54.840 0.081 0.000 0.775 324 L CB 0.023 42.121 42.059 0.065 0.000 0.913 324 L HN -0.024 nan 8.230 nan 0.000 0.440 325 R N -1.199 119.338 120.500 0.062 0.000 2.334 325 R HA 0.104 4.487 4.340 0.072 0.000 0.220 325 R C 0.395 176.726 176.300 0.053 0.000 0.917 325 R CA 0.456 56.591 56.100 0.059 0.000 1.073 325 R CB -0.145 30.183 30.300 0.047 0.000 1.056 325 R HN 0.396 nan 8.270 nan 0.000 0.506 326 T N -0.795 113.791 114.554 0.053 0.000 2.875 326 T HA 0.291 4.685 4.350 0.072 0.000 0.284 326 T C 0.161 174.894 174.700 0.053 0.000 0.995 326 T CA -0.802 61.325 62.100 0.045 0.000 1.060 326 T CB 1.345 70.232 68.868 0.031 0.000 0.967 326 T HN 0.033 nan 8.240 nan 0.000 0.476 327 R N 1.906 122.432 120.500 0.044 0.000 2.522 327 R HA 0.381 4.764 4.340 0.072 0.000 0.284 327 R C 1.649 177.970 176.300 0.035 0.000 1.032 327 R CA 1.209 57.336 56.100 0.046 0.000 1.049 327 R CB 0.006 30.328 30.300 0.037 0.000 0.956 327 R HN 1.145 nan 8.270 nan 0.000 0.422 328 G N 1.544 110.370 108.800 0.042 0.000 2.162 328 G HA2 -0.385 3.618 3.960 0.072 0.000 0.260 328 G HA3 -0.385 3.618 3.960 0.072 0.000 0.260 328 G C 0.841 175.736 174.900 -0.008 0.000 0.976 328 G CA 0.409 45.515 45.100 0.010 0.000 0.655 328 G HN 0.729 nan 8.290 nan 0.000 0.533 329 A N -0.672 122.174 122.820 0.044 0.000 1.970 329 A HA 0.487 4.851 4.320 0.072 0.000 0.216 329 A C 1.000 178.637 177.584 0.087 0.000 1.170 329 A CA 1.080 53.151 52.037 0.057 0.000 0.645 329 A CB -0.054 19.003 19.000 0.095 0.000 0.816 329 A HN 0.975 nan 8.150 nan 0.000 0.447 330 F N 2.247 122.210 119.950 0.022 0.000 2.423 330 F HA 0.280 4.851 4.527 0.073 0.000 0.356 330 F C 0.339 176.031 175.800 -0.179 0.000 1.170 330 F CA -0.653 57.379 58.000 0.052 0.000 1.163 330 F CB 0.032 39.094 39.000 0.104 0.000 1.318 330 F HN 0.237 nan 8.300 nan 0.000 0.569 331 E N 2.449 122.186 120.200 -0.772 0.000 2.383 331 E HA 0.018 4.411 4.350 0.072 0.000 0.264 331 E C 1.208 177.540 176.600 -0.447 0.000 1.050 331 E CA 0.071 56.011 56.400 -0.768 0.000 0.896 331 E CB 0.937 29.880 29.700 -1.261 0.000 0.982 331 E HN 0.576 nan 8.360 nan 0.000 0.424 332 T N 2.470 116.893 114.554 -0.218 0.000 2.788 332 T HA -0.219 4.175 4.350 0.072 0.000 0.268 332 T C 1.776 176.446 174.700 -0.050 0.000 1.044 332 T CA 1.691 63.755 62.100 -0.060 0.000 1.139 332 T CB -0.175 68.655 68.868 -0.063 0.000 0.867 332 T HN 0.552 nan 8.240 nan 0.000 0.454 333 R N 0.713 121.127 120.500 -0.144 0.000 2.139 333 R HA -0.122 4.261 4.340 0.072 0.000 0.243 333 R C 1.774 178.126 176.300 0.087 0.000 1.145 333 R CA 1.653 57.723 56.100 -0.050 0.000 0.976 333 R CB -0.886 29.375 30.300 -0.065 0.000 0.866 333 R HN 0.279 nan 8.270 nan 0.000 0.449 334 F N 1.275 121.116 119.950 -0.181 0.000 2.234 334 F HA -0.018 4.552 4.527 0.072 0.000 0.299 334 F C 2.446 178.201 175.800 -0.075 0.000 1.087 334 F CA -0.126 57.701 58.000 -0.289 0.000 1.340 334 F CB -0.861 37.644 39.000 -0.826 0.000 1.031 334 F HN -0.158 nan 8.300 nan 0.000 0.500 335 V N -0.688 119.397 119.914 0.284 0.000 2.295 335 V HA -0.274 3.890 4.120 0.072 0.000 0.246 335 V C 2.403 178.586 176.094 0.148 0.000 1.049 335 V CA 2.037 64.532 62.300 0.326 0.000 1.024 335 V CB -1.132 30.881 31.823 0.316 0.000 0.648 335 V HN 0.270 nan 8.190 nan 0.000 0.447 336 S N -0.568 115.167 115.700 0.059 0.000 2.359 336 S HA -0.287 4.227 4.470 0.072 0.000 0.224 336 S C 2.023 176.536 174.600 -0.146 0.000 1.035 336 S CA 1.766 59.848 58.200 -0.196 0.000 1.018 336 S CB -0.333 62.802 63.200 -0.108 0.000 0.876 336 S HN 0.671 nan 8.310 nan 0.000 0.448 337 Q N 0.134 119.917 119.800 -0.028 0.000 2.172 337 Q HA -0.004 4.379 4.340 0.072 0.000 0.200 337 Q C 2.264 178.250 176.000 -0.025 0.000 0.964 337 Q CA 0.967 56.754 55.803 -0.027 0.000 0.855 337 Q CB -0.215 28.520 28.738 -0.005 0.000 0.918 337 Q HN 0.338 nan 8.270 nan 0.000 0.444 338 V N 1.504 121.429 119.914 0.018 0.000 2.343 338 V HA -0.241 3.922 4.120 0.072 0.000 0.247 338 V C 1.684 177.784 176.094 0.011 0.000 1.051 338 V CA 1.901 64.226 62.300 0.043 0.000 1.036 338 V CB -0.358 31.551 31.823 0.143 0.000 0.654 338 V HN 0.373 nan 8.190 nan 0.000 0.451 339 E N -0.435 119.751 120.200 -0.024 0.000 2.427 339 E HA -0.055 4.338 4.350 0.072 0.000 0.196 339 E C 2.155 178.708 176.600 -0.078 0.000 1.028 339 E CA 0.705 57.074 56.400 -0.051 0.000 0.864 339 E CB 0.001 29.658 29.700 -0.072 0.000 0.813 339 E HN 0.441 nan 8.360 nan 0.000 0.514 340 S N 0.715 116.364 115.700 -0.086 0.000 2.496 340 S HA -0.068 4.446 4.470 0.072 0.000 0.224 340 S C 0.647 175.224 174.600 -0.038 0.000 0.996 340 S CA -0.016 58.143 58.200 -0.069 0.000 0.927 340 S CB -0.028 63.130 63.200 -0.071 0.000 0.774 340 S HN 0.306 nan 8.310 nan 0.000 0.524 341 D N 2.243 122.627 120.400 -0.027 0.000 2.583 341 D HA -0.061 4.623 4.640 0.072 0.000 0.232 341 D C 0.940 177.233 176.300 -0.012 0.000 1.128 341 D CA 0.697 54.689 54.000 -0.013 0.000 0.859 341 D CB 0.951 41.750 40.800 -0.000 0.000 1.169 341 D HN 0.295 nan 8.370 nan 0.000 0.481 342 T N 0.647 115.195 114.554 -0.011 0.000 3.107 342 T HA 0.375 4.768 4.350 0.072 0.000 0.249 342 T C 1.244 175.939 174.700 -0.007 0.000 1.096 342 T CA 0.359 62.453 62.100 -0.010 0.000 1.012 342 T CB 0.545 69.406 68.868 -0.011 0.000 0.977 342 T HN 0.607 nan 8.240 nan 0.000 0.527 343 G N 2.349 111.146 108.800 -0.004 0.000 2.705 343 G HA2 -0.194 3.810 3.960 0.072 0.000 0.193 343 G HA3 -0.194 3.810 3.960 0.072 0.000 0.193 343 G C 0.596 175.495 174.900 -0.003 0.000 1.015 343 G CA 0.249 45.347 45.100 -0.003 0.000 0.743 343 G HN 0.585 nan 8.290 nan 0.000 0.476 344 D N 0.564 120.961 120.400 -0.006 0.000 2.349 344 D HA 0.225 4.908 4.640 0.072 0.000 0.224 344 D C 1.440 177.736 176.300 -0.006 0.000 1.029 344 D CA 0.376 54.369 54.000 -0.011 0.000 0.879 344 D CB -0.118 40.671 40.800 -0.018 0.000 0.906 344 D HN 0.450 nan 8.370 nan 0.000 0.528 345 R N -1.199 119.307 120.500 0.010 0.000 3.922 345 R HA -0.148 4.235 4.340 0.072 0.000 0.447 345 R C 1.309 177.645 176.300 0.061 0.000 1.035 345 R CA 1.110 57.232 56.100 0.037 0.000 1.289 345 R CB -1.777 28.552 30.300 0.048 0.000 1.906 345 R HN 0.029 nan 8.270 nan 0.000 0.540 346 K N 0.986 121.404 120.400 0.029 0.000 2.148 346 K HA -0.018 4.345 4.320 0.072 0.000 0.204 346 K C 1.584 178.225 176.600 0.067 0.000 1.050 346 K CA 1.534 57.846 56.287 0.042 0.000 0.942 346 K CB 0.020 32.517 32.500 -0.004 0.000 0.724 346 K HN 0.504 nan 8.250 nan 0.000 0.446 347 Q N -0.164 119.652 119.800 0.028 0.000 2.083 347 Q HA -0.011 4.373 4.340 0.072 0.000 0.198 347 Q C 2.204 178.193 176.000 -0.018 0.000 0.969 347 Q CA 1.001 56.801 55.803 -0.006 0.000 0.838 347 Q CB -0.045 28.679 28.738 -0.023 0.000 0.900 347 Q HN 0.261 nan 8.270 nan 0.000 0.436 348 I N -0.209 120.374 120.570 0.021 0.000 2.208 348 I HA -0.317 3.897 4.170 0.072 0.000 0.245 348 I C 2.238 178.374 176.117 0.033 0.000 1.097 348 I CA 1.343 62.662 61.300 0.032 0.000 1.363 348 I CB -0.418 37.625 38.000 0.073 0.000 1.051 348 I HN 0.191 nan 8.210 nan 0.000 0.413 349 Y N 2.299 122.582 120.300 -0.028 0.000 2.097 349 Y HA -0.312 4.282 4.550 0.072 0.000 0.282 349 Y C 2.495 178.355 175.900 -0.067 0.000 1.152 349 Y CA 1.923 60.005 58.100 -0.030 0.000 1.136 349 Y CB -0.292 38.156 38.460 -0.020 0.000 0.975 349 Y HN 0.180 nan 8.280 nan 0.000 0.498 350 N N 0.458 119.176 118.700 0.031 0.000 2.166 350 N HA -0.183 4.600 4.740 0.072 0.000 0.186 350 N C 1.939 177.305 175.510 -0.240 0.000 1.019 350 N CA 1.810 54.809 53.050 -0.085 0.000 0.856 350 N CB -0.449 38.027 38.487 -0.018 0.000 0.993 350 N HN 0.459 nan 8.380 nan 0.000 0.426 351 I N 0.830 121.221 120.570 -0.298 0.000 2.179 351 I HA -0.234 3.979 4.170 0.072 0.000 0.242 351 I C 2.056 177.929 176.117 -0.406 0.000 1.088 351 I CA 0.961 61.955 61.300 -0.511 0.000 1.357 351 I CB -0.134 37.486 38.000 -0.634 0.000 1.051 351 I HN 0.057 nan 8.210 nan 0.000 0.409 352 L N -0.437 120.615 121.223 -0.287 0.000 2.109 352 L HA -0.154 4.230 4.340 0.072 0.000 0.207 352 L C 2.749 179.419 176.870 -0.334 0.000 1.086 352 L CA 1.264 55.958 54.840 -0.244 0.000 0.760 352 L CB -0.571 41.396 42.059 -0.153 0.000 0.910 352 L HN 0.292 nan 8.230 nan 0.000 0.437 353 S N -0.382 115.057 115.700 -0.436 0.000 2.359 353 S HA -0.212 4.301 4.470 0.072 0.000 0.224 353 S C 1.937 176.384 174.600 -0.254 0.000 1.035 353 S CA 2.131 60.081 58.200 -0.417 0.000 1.018 353 S CB -0.391 62.471 63.200 -0.563 0.000 0.876 353 S HN 0.410 nan 8.310 nan 0.000 0.448 354 T N 2.051 116.467 114.554 -0.231 0.000 2.977 354 T HA 0.099 4.492 4.350 0.072 0.000 0.271 354 T C 1.294 175.911 174.700 -0.139 0.000 1.105 354 T CA 0.968 62.968 62.100 -0.167 0.000 1.116 354 T CB -0.305 68.456 68.868 -0.179 0.000 0.878 354 T HN 0.357 nan 8.240 nan 0.000 0.509 355 L N 0.401 121.524 121.223 -0.166 0.000 2.629 355 L HA 0.309 4.693 4.340 0.072 0.000 0.230 355 L C 1.636 178.426 176.870 -0.132 0.000 1.151 355 L CA -0.051 54.722 54.840 -0.111 0.000 0.924 355 L CB -0.214 41.799 42.059 -0.078 0.000 1.137 355 L HN 0.404 nan 8.230 nan 0.000 0.457 356 G N 0.436 109.147 108.800 -0.149 0.000 2.147 356 G HA2 -0.269 3.735 3.960 0.072 0.000 0.244 356 G HA3 -0.269 3.735 3.960 0.072 0.000 0.244 356 G C -0.054 174.736 174.900 -0.182 0.000 1.005 356 G CA 0.041 45.061 45.100 -0.133 0.000 0.713 356 G HN 0.256 nan 8.290 nan 0.000 0.515 357 L N -1.293 119.766 121.223 -0.273 0.000 2.332 357 L HA 0.743 5.126 4.340 0.072 0.000 0.269 357 L C 1.076 177.785 176.870 -0.270 0.000 1.016 357 L CA -1.157 53.459 54.840 -0.374 0.000 0.809 357 L CB 1.506 43.116 42.059 -0.748 0.000 1.280 357 L HN 0.034 nan 8.230 nan 0.000 0.447 358 R N 1.632 122.028 120.500 -0.173 0.000 2.868 358 R HA 0.289 4.673 4.340 0.072 0.000 0.289 358 R C -2.434 173.901 176.300 0.058 0.000 1.443 358 R CA -1.434 54.642 56.100 -0.041 0.000 1.651 358 R CB 0.354 30.680 30.300 0.042 0.000 1.242 358 R HN 0.355 nan 8.270 nan 0.000 0.621 359 P HA 0.075 nan 4.420 nan 0.000 0.279 359 P C 0.030 177.459 177.300 0.215 0.000 1.239 359 P CA -0.186 63.029 63.100 0.192 0.000 0.789 359 P CB 1.507 33.321 31.700 0.190 0.000 0.933 360 S N 1.167 116.959 115.700 0.153 0.000 2.641 360 S HA 0.097 4.610 4.470 0.072 0.000 0.261 360 S C 1.447 176.115 174.600 0.114 0.000 1.257 360 S CA -0.031 58.238 58.200 0.115 0.000 0.983 360 S CB -0.395 62.831 63.200 0.043 0.000 0.990 360 S HN 0.465 nan 8.310 nan 0.000 0.572 361 T N 1.453 116.054 114.554 0.077 0.000 2.665 361 T HA -0.145 4.248 4.350 0.072 0.000 0.268 361 T C 2.116 176.837 174.700 0.036 0.000 1.035 361 T CA 2.402 64.535 62.100 0.055 0.000 1.151 361 T CB -1.170 67.716 68.868 0.030 0.000 0.862 361 T HN 0.964 nan 8.240 nan 0.000 0.438 362 T N -0.295 114.268 114.554 0.014 0.000 2.985 362 T HA -0.067 4.327 4.350 0.072 0.000 0.266 362 T C 1.528 176.204 174.700 -0.040 0.000 1.076 362 T CA 1.102 63.194 62.100 -0.014 0.000 1.135 362 T CB -0.309 68.545 68.868 -0.024 0.000 0.890 362 T HN 0.164 nan 8.240 nan 0.000 0.480 363 D N 1.055 121.433 120.400 -0.037 0.000 2.092 363 D HA -0.059 4.625 4.640 0.072 0.000 0.193 363 D C 2.378 178.673 176.300 -0.009 0.000 0.994 363 D CA 1.022 54.976 54.000 -0.077 0.000 0.828 363 D CB -0.925 39.902 40.800 0.045 0.000 0.963 363 D HN 0.434 nan 8.370 nan 0.000 0.450 364 C N 1.040 120.384 119.300 0.073 0.000 2.398 364 C HA -0.157 4.346 4.460 0.072 0.000 0.276 364 C C 2.219 177.233 174.990 0.040 0.000 1.222 364 C CA 0.734 59.805 59.018 0.089 0.000 1.746 364 C CB -0.753 27.055 27.740 0.113 0.000 2.039 364 C HN 0.368 nan 8.230 nan 0.000 0.470 365 D N 0.417 120.826 120.400 0.014 0.000 2.178 365 D HA -0.045 4.639 4.640 0.072 0.000 0.202 365 D C 1.911 178.194 176.300 -0.028 0.000 0.974 365 D CA 1.040 55.037 54.000 -0.004 0.000 0.841 365 D CB -0.365 40.430 40.800 -0.009 0.000 0.953 365 D HN 0.493 nan 8.370 nan 0.000 0.478 366 I N 0.370 120.907 120.570 -0.055 0.000 2.353 366 I HA -0.182 4.031 4.170 0.072 0.000 0.248 366 I C 2.301 178.359 176.117 -0.099 0.000 1.119 366 I CA 0.436 61.681 61.300 -0.092 0.000 1.417 366 I CB 0.059 37.974 38.000 -0.142 0.000 1.078 366 I HN -0.129 nan 8.210 nan 0.000 0.421 367 V N 0.696 120.568 119.914 -0.071 0.000 2.427 367 V HA -0.249 3.915 4.120 0.072 0.000 0.248 367 V C 2.594 178.675 176.094 -0.022 0.000 1.051 367 V CA 1.648 63.923 62.300 -0.041 0.000 1.048 367 V CB -0.753 31.118 31.823 0.079 0.000 0.666 367 V HN 0.393 nan 8.190 nan 0.000 0.456 368 R N -0.200 120.300 120.500 0.001 0.000 2.081 368 R HA -0.140 4.243 4.340 0.072 0.000 0.235 368 R C 2.564 178.844 176.300 -0.033 0.000 1.131 368 R CA 1.226 57.328 56.100 0.004 0.000 0.960 368 R CB -0.109 30.196 30.300 0.008 0.000 0.856 368 R HN 0.319 nan 8.270 nan 0.000 0.436 369 R N -0.040 120.426 120.500 -0.056 0.000 2.092 369 R HA -0.036 4.347 4.340 0.072 0.000 0.231 369 R C 2.069 178.292 176.300 -0.129 0.000 1.119 369 R CA 1.281 57.336 56.100 -0.075 0.000 0.970 369 R CB -0.612 29.649 30.300 -0.065 0.000 0.864 369 R HN 0.275 nan 8.270 nan 0.000 0.440 370 A N 0.316 123.039 122.820 -0.162 0.000 1.898 370 A HA -0.158 4.205 4.320 0.072 0.000 0.216 370 A C 2.609 180.020 177.584 -0.289 0.000 1.181 370 A CA 1.503 53.383 52.037 -0.262 0.000 0.620 370 A CB -0.830 18.007 19.000 -0.272 0.000 0.819 370 A HN 0.380 nan 8.150 nan 0.000 0.442 371 C N -0.590 118.610 119.300 -0.168 0.000 2.432 371 C HA -0.084 4.419 4.460 0.072 0.000 0.277 371 C C 2.653 177.598 174.990 -0.076 0.000 1.249 371 C CA 1.140 60.109 59.018 -0.081 0.000 1.725 371 C CB -1.330 26.447 27.740 0.061 0.000 2.028 371 C HN 0.683 nan 8.230 nan 0.000 0.477 372 E N 0.741 120.900 120.200 -0.068 0.000 2.085 372 E HA -0.174 4.220 4.350 0.072 0.000 0.194 372 E C 2.295 178.807 176.600 -0.147 0.000 0.994 372 E CA 1.591 57.953 56.400 -0.064 0.000 0.801 372 E CB -0.200 29.472 29.700 -0.046 0.000 0.743 372 E HN 0.553 nan 8.360 nan 0.000 0.453 373 S N 0.363 115.924 115.700 -0.232 0.000 2.356 373 S HA -0.125 4.389 4.470 0.072 0.000 0.223 373 S C 2.226 176.541 174.600 -0.476 0.000 1.032 373 S CA 0.957 58.963 58.200 -0.324 0.000 1.005 373 S CB -0.134 62.815 63.200 -0.419 0.000 0.867 373 S HN 0.059 nan 8.310 nan 0.000 0.449 374 V N 2.342 121.882 119.914 -0.624 0.000 2.358 374 V HA -0.142 4.021 4.120 0.072 0.000 0.246 374 V C 2.615 178.596 176.094 -0.188 0.000 1.047 374 V CA 1.963 63.972 62.300 -0.486 0.000 1.035 374 V CB -0.943 30.623 31.823 -0.428 0.000 0.658 374 V HN 0.683 nan 8.190 nan 0.000 0.452 375 S N -1.183 114.425 115.700 -0.153 0.000 2.436 375 S HA -0.137 4.376 4.470 0.072 0.000 0.228 375 S C 1.880 176.385 174.600 -0.158 0.000 1.014 375 S CA 1.349 59.480 58.200 -0.115 0.000 0.950 375 S CB -0.430 62.656 63.200 -0.191 0.000 0.784 375 S HN 0.532 nan 8.310 nan 0.000 0.504 376 T N 2.160 116.584 114.554 -0.216 0.000 2.777 376 T HA 0.004 4.397 4.350 0.072 0.000 0.266 376 T C 1.866 176.311 174.700 -0.424 0.000 1.040 376 T CA 1.251 63.128 62.100 -0.371 0.000 1.141 376 T CB -0.274 68.400 68.868 -0.324 0.000 0.868 376 T HN 0.440 nan 8.240 nan 0.000 0.444 377 R N 0.851 121.241 120.500 -0.184 0.000 2.073 377 R HA -0.067 4.317 4.340 0.072 0.000 0.234 377 R C 2.662 178.940 176.300 -0.037 0.000 1.134 377 R CA 1.456 57.529 56.100 -0.045 0.000 0.952 377 R CB -0.503 29.891 30.300 0.158 0.000 0.850 377 R HN 0.366 nan 8.270 nan 0.000 0.433 378 A N 0.844 123.656 122.820 -0.012 0.000 1.892 378 A HA -0.213 4.151 4.320 0.072 0.000 0.218 378 A C 2.371 179.978 177.584 0.038 0.000 1.188 378 A CA 2.077 54.151 52.037 0.063 0.000 0.631 378 A CB -0.921 18.184 19.000 0.176 0.000 0.822 378 A HN 0.565 nan 8.150 nan 0.000 0.447 379 A N -1.132 121.562 122.820 -0.210 0.000 1.902 379 A HA -0.188 4.176 4.320 0.072 0.000 0.217 379 A C 1.973 179.529 177.584 -0.047 0.000 1.181 379 A CA 1.726 53.418 52.037 -0.576 0.000 0.623 379 A CB -0.931 17.579 19.000 -0.817 0.000 0.818 379 A HN 0.795 nan 8.150 nan 0.000 0.443 380 H N -2.099 116.904 119.070 -0.111 0.000 2.372 380 H HA 0.018 4.617 4.556 0.072 0.000 0.301 380 H C 2.165 177.467 175.328 -0.044 0.000 1.065 380 H CA 0.871 56.876 56.048 -0.072 0.000 1.364 380 H CB -0.064 29.654 29.762 -0.074 0.000 1.406 380 H HN 0.282 nan 8.280 nan 0.000 0.521 381 M N 0.317 119.962 119.600 0.074 0.000 2.108 381 M HA -0.216 4.308 4.480 0.072 0.000 0.261 381 M C 2.653 178.976 176.300 0.037 0.000 1.066 381 M CA 0.812 56.126 55.300 0.023 0.000 1.107 381 M CB -1.033 31.533 32.600 -0.057 0.000 1.356 381 M HN 0.404 nan 8.290 nan 0.000 0.406 382 C N 0.658 119.983 119.300 0.041 0.000 2.422 382 C HA -0.126 4.378 4.460 0.072 0.000 0.279 382 C C 3.162 178.350 174.990 0.330 0.000 1.305 382 C CA 1.748 60.846 59.018 0.133 0.000 1.757 382 C CB -1.039 26.835 27.740 0.224 0.000 1.962 382 C HN 0.734 nan 8.230 nan 0.000 0.499 383 S N 0.788 116.676 115.700 0.312 0.000 2.428 383 S HA 0.059 4.572 4.470 0.072 0.000 0.230 383 S C 1.996 176.618 174.600 0.036 0.000 1.014 383 S CA 1.190 59.477 58.200 0.145 0.000 0.957 383 S CB -0.507 62.642 63.200 -0.086 0.000 0.784 383 S HN 0.719 nan 8.310 nan 0.000 0.499 384 A N 1.956 124.774 122.820 -0.004 0.000 1.930 384 A HA 0.292 4.655 4.320 0.072 0.000 0.217 384 A C 2.313 179.807 177.584 -0.149 0.000 1.175 384 A CA 1.343 53.332 52.037 -0.080 0.000 0.627 384 A CB -1.672 17.269 19.000 -0.097 0.000 0.815 384 A HN 0.610 nan 8.150 nan 0.000 0.443 385 G N -0.186 108.472 108.800 -0.237 0.000 2.453 385 G HA2 -0.207 3.796 3.960 0.072 0.000 0.215 385 G HA3 -0.207 3.796 3.960 0.072 0.000 0.215 385 G C 1.575 176.509 174.900 0.057 0.000 1.201 385 G CA 0.935 45.750 45.100 -0.474 0.000 0.784 385 G HN 0.383 nan 8.290 nan 0.000 0.545 386 L N 0.696 122.103 121.223 0.307 0.000 2.012 386 L HA -0.134 4.249 4.340 0.072 0.000 0.210 386 L C 3.305 180.293 176.870 0.197 0.000 1.073 386 L CA 1.864 56.980 54.840 0.460 0.000 0.748 386 L CB -0.548 41.865 42.059 0.589 0.000 0.891 386 L HN 0.343 nan 8.230 nan 0.000 0.431 387 A N -0.199 122.678 122.820 0.095 0.000 1.908 387 A HA -0.174 4.189 4.320 0.072 0.000 0.218 387 A C 2.290 179.866 177.584 -0.014 0.000 1.181 387 A CA 1.716 53.764 52.037 0.019 0.000 0.627 387 A CB -1.285 17.702 19.000 -0.022 0.000 0.818 387 A HN 0.541 nan 8.150 nan 0.000 0.445 388 G N -0.276 108.503 108.800 -0.035 0.000 2.545 388 G HA2 -0.218 3.786 3.960 0.072 0.000 0.217 388 G HA3 -0.218 3.786 3.960 0.072 0.000 0.217 388 G C 1.555 176.406 174.900 -0.081 0.000 1.218 388 G CA 1.526 46.582 45.100 -0.073 0.000 0.787 388 G HN 0.341 nan 8.290 nan 0.000 0.571 389 V N 1.149 121.027 119.914 -0.060 0.000 2.250 389 V HA -0.259 3.905 4.120 0.072 0.000 0.250 389 V C 2.828 178.812 176.094 -0.183 0.000 1.060 389 V CA 2.122 64.307 62.300 -0.192 0.000 1.030 389 V CB -0.448 31.316 31.823 -0.098 0.000 0.643 389 V HN 0.426 nan 8.190 nan 0.000 0.445 390 I N -0.076 120.453 120.570 -0.068 0.000 2.315 390 I HA -0.179 4.035 4.170 0.072 0.000 0.248 390 I C 2.333 178.417 176.117 -0.054 0.000 1.117 390 I CA 1.213 62.482 61.300 -0.052 0.000 1.404 390 I CB -0.466 37.523 38.000 -0.019 0.000 1.071 390 I HN 0.364 nan 8.210 nan 0.000 0.419 391 N N 0.918 119.587 118.700 -0.052 0.000 2.120 391 N HA -0.151 4.632 4.740 0.072 0.000 0.188 391 N C 1.887 177.365 175.510 -0.054 0.000 1.024 391 N CA 1.131 54.153 53.050 -0.047 0.000 0.852 391 N CB -0.343 38.118 38.487 -0.044 0.000 1.003 391 N HN 0.267 nan 8.380 nan 0.000 0.424 392 R N 0.299 120.750 120.500 -0.081 0.000 2.103 392 R HA -0.035 4.348 4.340 0.072 0.000 0.242 392 R C 2.158 178.421 176.300 -0.060 0.000 1.142 392 R CA 1.341 57.390 56.100 -0.085 0.000 0.960 392 R CB -0.219 29.993 30.300 -0.147 0.000 0.858 392 R HN 0.291 nan 8.270 nan 0.000 0.439 393 M N -0.774 118.783 119.600 -0.072 0.000 2.254 393 M HA -0.125 4.399 4.480 0.072 0.000 0.265 393 M C 2.354 178.649 176.300 -0.008 0.000 1.066 393 M CA 1.314 56.605 55.300 -0.016 0.000 1.123 393 M CB -0.189 32.410 32.600 -0.001 0.000 1.388 393 M HN 0.064 nan 8.290 nan 0.000 0.425 394 R N 0.666 121.153 120.500 -0.021 0.000 2.081 394 R HA -0.212 4.171 4.340 0.072 0.000 0.235 394 R C 1.914 178.207 176.300 -0.012 0.000 1.131 394 R CA 1.909 57.999 56.100 -0.017 0.000 0.960 394 R CB -0.105 30.182 30.300 -0.022 0.000 0.856 394 R HN 0.198 nan 8.270 nan 0.000 0.436 395 E N -0.009 120.183 120.200 -0.014 0.000 2.208 395 E HA -0.026 4.368 4.350 0.072 0.000 0.193 395 E C 1.210 177.809 176.600 -0.003 0.000 0.988 395 E CA 1.348 57.742 56.400 -0.010 0.000 0.828 395 E CB 0.196 29.887 29.700 -0.014 0.000 0.763 395 E HN 0.317 nan 8.360 nan 0.000 0.478 396 S N -0.243 115.458 115.700 0.003 0.000 2.603 396 S HA 0.177 4.691 4.470 0.072 0.000 0.220 396 S C 0.516 175.121 174.600 0.008 0.000 0.967 396 S CA 0.086 58.292 58.200 0.011 0.000 0.920 396 S CB 0.182 63.399 63.200 0.028 0.000 0.773 396 S HN 0.096 nan 8.310 nan 0.000 0.529 397 R N 0.241 120.743 120.500 0.003 0.000 2.943 397 R HA 0.436 4.820 4.340 0.072 0.000 0.246 397 R C 1.249 177.548 176.300 -0.003 0.000 1.201 397 R CA 0.041 56.141 56.100 0.001 0.000 1.056 397 R CB 0.732 31.033 30.300 0.001 0.000 1.243 397 R HN 0.194 nan 8.270 nan 0.000 0.498 398 S N -0.485 115.213 115.700 -0.004 0.000 2.468 398 S HA 0.055 4.568 4.470 0.072 0.000 0.226 398 S C 0.318 174.915 174.600 -0.005 0.000 1.051 398 S CA -0.031 58.166 58.200 -0.004 0.000 0.943 398 S CB 0.036 63.233 63.200 -0.004 0.000 0.810 398 S HN 0.467 nan 8.310 nan 0.000 0.509 399 E N 1.979 122.176 120.200 -0.006 0.000 2.436 399 E HA 0.122 4.516 4.350 0.072 0.000 0.262 399 E C 0.351 176.946 176.600 -0.008 0.000 1.063 399 E CA 0.303 56.699 56.400 -0.007 0.000 0.944 399 E CB 0.411 30.107 29.700 -0.008 0.000 0.950 399 E HN 0.246 nan 8.360 nan 0.000 0.444 400 D N 0.699 121.094 120.400 -0.008 0.000 2.137 400 D HA -0.038 4.645 4.640 0.072 0.000 0.202 400 D C -0.013 176.280 176.300 -0.011 0.000 0.970 400 D CA 0.818 54.813 54.000 -0.009 0.000 0.837 400 D CB 0.317 41.112 40.800 -0.008 0.000 0.981 400 D HN 0.085 nan 8.370 nan 0.000 0.475 401 V N 1.964 121.870 119.914 -0.012 0.000 2.384 401 V HA 0.257 4.421 4.120 0.072 0.000 0.287 401 V C 0.038 176.122 176.094 -0.017 0.000 1.020 401 V CA -0.543 61.748 62.300 -0.015 0.000 0.850 401 V CB 1.831 33.645 31.823 -0.014 0.000 0.987 401 V HN 0.006 nan 8.190 nan 0.000 0.436 402 M N 5.394 124.981 119.600 -0.020 0.000 2.108 402 M HA 0.464 4.987 4.480 0.072 0.000 0.354 402 M C -0.017 176.264 176.300 -0.032 0.000 1.229 402 M CA -0.309 54.977 55.300 -0.023 0.000 1.081 402 M CB 0.377 32.963 32.600 -0.024 0.000 1.606 402 M HN 0.596 nan 8.290 nan 0.000 0.467 403 R N 4.818 125.300 120.500 -0.030 0.000 2.215 403 R HA 0.578 4.962 4.340 0.072 0.000 0.337 403 R C -1.621 174.652 176.300 -0.045 0.000 1.010 403 R CA -0.313 55.764 56.100 -0.039 0.000 0.871 403 R CB 0.724 31.007 30.300 -0.029 0.000 1.134 403 R HN 0.773 nan 8.270 nan 0.000 0.477 404 I N 2.137 122.663 120.570 -0.072 0.000 2.582 404 I HA 0.357 4.570 4.170 0.072 0.000 0.292 404 I C -0.955 175.081 176.117 -0.134 0.000 1.066 404 I CA -0.081 61.170 61.300 -0.082 0.000 1.053 404 I CB 2.638 40.591 38.000 -0.078 0.000 1.241 404 I HN 0.477 nan 8.210 nan 0.000 0.421 405 T N 6.066 120.557 114.554 -0.105 0.000 2.824 405 T HA 0.606 5.000 4.350 0.072 0.000 0.280 405 T C -0.801 173.824 174.700 -0.125 0.000 0.995 405 T CA -0.462 61.558 62.100 -0.132 0.000 1.009 405 T CB 1.442 70.269 68.868 -0.067 0.000 0.955 405 T HN 0.299 nan 8.240 nan 0.000 0.452 406 V N 2.426 122.225 119.914 -0.191 0.000 2.417 406 V HA 0.671 4.834 4.120 0.072 0.000 0.291 406 V C 0.753 176.862 176.094 0.025 0.000 1.024 406 V CA -0.930 61.320 62.300 -0.083 0.000 0.861 406 V CB 1.590 33.348 31.823 -0.108 0.000 0.985 406 V HN 1.036 nan 8.190 nan 0.000 0.436 407 G N 3.498 112.317 108.800 0.033 0.000 2.338 407 G HA2 0.591 4.595 3.960 0.072 0.000 0.298 407 G HA3 0.591 4.595 3.960 0.072 0.000 0.298 407 G C -0.877 174.024 174.900 0.001 0.000 1.140 407 G CA -0.279 44.843 45.100 0.036 0.000 0.860 407 G HN 0.599 nan 8.290 nan 0.000 0.470 408 V N 2.417 122.312 119.914 -0.032 0.000 2.760 408 V HA 0.588 4.752 4.120 0.072 0.000 0.309 408 V C -0.918 175.101 176.094 -0.126 0.000 1.077 408 V CA -0.819 61.370 62.300 -0.185 0.000 0.910 408 V CB 2.108 33.576 31.823 -0.592 0.000 1.008 408 V HN 0.799 nan 8.190 nan 0.000 0.424 409 D N 1.068 121.391 120.400 -0.127 0.000 2.610 409 D HA 0.801 5.485 4.640 0.072 0.000 0.271 409 D C -0.312 175.954 176.300 -0.057 0.000 1.174 409 D CA 0.666 54.637 54.000 -0.049 0.000 0.949 409 D CB 2.415 43.196 40.800 -0.032 0.000 1.430 409 D HN 1.170 nan 8.370 nan 0.000 0.467 410 G N -0.215 108.572 108.800 -0.022 0.000 3.014 410 G HA2 0.085 4.088 3.960 0.072 0.000 0.683 410 G HA3 0.085 4.088 3.960 0.072 0.000 0.683 410 G C 0.690 175.580 174.900 -0.016 0.000 1.271 410 G CA 0.411 45.489 45.100 -0.037 0.000 0.843 410 G HN 0.730 nan 8.290 nan 0.000 0.612 411 S N 0.230 115.906 115.700 -0.040 0.000 2.420 411 S HA -0.149 4.365 4.470 0.072 0.000 0.237 411 S C 2.288 176.846 174.600 -0.069 0.000 1.023 411 S CA 2.217 60.393 58.200 -0.041 0.000 0.991 411 S CB -0.109 63.062 63.200 -0.049 0.000 0.792 411 S HN 1.265 nan 8.310 nan 0.000 0.488 412 V N 0.557 120.383 119.914 -0.147 0.000 2.283 412 V HA -0.086 4.077 4.120 0.072 0.000 0.243 412 V C 2.192 178.074 176.094 -0.352 0.000 1.039 412 V CA 1.828 63.954 62.300 -0.289 0.000 1.016 412 V CB -1.013 30.517 31.823 -0.489 0.000 0.650 412 V HN 0.585 nan 8.190 nan 0.000 0.449 413 Y N 1.122 121.147 120.300 -0.459 0.000 2.165 413 Y HA -0.268 4.325 4.550 0.072 0.000 0.286 413 Y C 2.519 178.385 175.900 -0.058 0.000 1.155 413 Y CA 2.059 60.007 58.100 -0.254 0.000 1.164 413 Y CB -0.044 38.323 38.460 -0.155 0.000 0.978 413 Y HN 0.143 nan 8.280 nan 0.000 0.513 414 K N -0.600 119.862 120.400 0.104 0.000 2.137 414 K HA 0.015 4.378 4.320 0.072 0.000 0.202 414 K C 1.758 178.362 176.600 0.006 0.000 1.052 414 K CA 1.311 57.646 56.287 0.080 0.000 0.961 414 K CB 0.034 32.601 32.500 0.112 0.000 0.741 414 K HN 0.345 nan 8.250 nan 0.000 0.452 415 L N -0.439 120.783 121.223 -0.002 0.000 2.515 415 L HA 0.087 4.470 4.340 0.072 0.000 0.223 415 L C 1.019 177.888 176.870 -0.002 0.000 1.079 415 L CA -0.197 54.639 54.840 -0.006 0.000 0.857 415 L CB 0.088 42.140 42.059 -0.011 0.000 1.050 415 L HN 0.237 nan 8.230 nan 0.000 0.476 416 H N 3.364 122.391 119.070 -0.073 0.000 2.848 416 H HA 0.080 4.679 4.556 0.072 0.000 0.317 416 H C -1.640 173.673 175.328 -0.026 0.000 1.046 416 H CA -1.453 54.571 56.048 -0.040 0.000 1.470 416 H CB 1.716 31.456 29.762 -0.037 0.000 1.483 416 H HN -0.062 nan 8.280 nan 0.000 0.548 417 P HA -0.096 nan 4.420 nan 0.000 0.228 417 P C 0.654 177.973 177.300 0.031 0.000 1.151 417 P CA 1.073 64.125 63.100 -0.081 0.000 0.770 417 P CB 0.480 32.092 31.700 -0.147 0.000 0.786 418 S N -3.886 111.943 115.700 0.216 0.000 2.800 418 S HA 0.086 4.599 4.470 0.072 0.000 0.266 418 S C 1.182 175.851 174.600 0.116 0.000 1.029 418 S CA -0.569 57.713 58.200 0.138 0.000 1.302 418 S CB -1.300 61.962 63.200 0.104 0.000 1.212 418 S HN -0.062 nan 8.310 nan 0.000 0.683 419 F N 3.409 123.385 119.950 0.043 0.000 2.046 419 F HA 0.035 4.606 4.527 0.073 0.000 0.297 419 F C 2.334 178.016 175.800 -0.198 0.000 1.123 419 F CA 2.265 60.146 58.000 -0.198 0.000 1.199 419 F CB -0.247 38.560 39.000 -0.320 0.000 0.972 419 F HN 0.201 nan 8.300 nan 0.000 0.474 420 K N -0.052 120.302 120.400 -0.077 0.000 2.059 420 K HA -0.290 4.074 4.320 0.072 0.000 0.212 420 K C 1.930 178.159 176.600 -0.618 0.000 1.050 420 K CA 2.353 58.336 56.287 -0.507 0.000 0.927 420 K CB -0.227 31.896 32.500 -0.629 0.000 0.714 420 K HN 0.330 nan 8.250 nan 0.000 0.447 421 E N -0.230 119.784 120.200 -0.310 0.000 2.112 421 E HA -0.071 4.323 4.350 0.072 0.000 0.190 421 E C 2.058 178.574 176.600 -0.141 0.000 0.979 421 E CA 0.979 57.269 56.400 -0.182 0.000 0.814 421 E CB 0.085 29.745 29.700 -0.066 0.000 0.762 421 E HN 0.243 nan 8.360 nan 0.000 0.460 422 R N -0.385 120.026 120.500 -0.148 0.000 2.081 422 R HA -0.107 4.276 4.340 0.072 0.000 0.235 422 R C 2.198 178.433 176.300 -0.108 0.000 1.131 422 R CA 1.419 57.459 56.100 -0.101 0.000 0.960 422 R CB -0.421 29.781 30.300 -0.163 0.000 0.856 422 R HN 0.212 nan 8.270 nan 0.000 0.436 423 F N 0.858 120.555 119.950 -0.421 0.000 2.113 423 F HA -0.199 4.372 4.527 0.073 0.000 0.297 423 F C 2.001 177.702 175.800 -0.166 0.000 1.103 423 F CA 1.692 59.464 58.000 -0.380 0.000 1.248 423 F CB -0.191 38.455 39.000 -0.591 0.000 0.999 423 F HN 0.069 nan 8.300 nan 0.000 0.475 424 H N -0.478 118.349 119.070 -0.405 0.000 2.353 424 H HA -0.096 4.503 4.556 0.072 0.000 0.300 424 H C 2.368 177.535 175.328 -0.269 0.000 1.090 424 H CA 0.739 56.504 56.048 -0.472 0.000 1.327 424 H CB -0.275 29.312 29.762 -0.292 0.000 1.383 424 H HN 0.415 nan 8.280 nan 0.000 0.508 425 A N 0.088 122.877 122.820 -0.052 0.000 1.930 425 A HA -0.181 4.183 4.320 0.072 0.000 0.217 425 A C 2.452 179.975 177.584 -0.102 0.000 1.175 425 A CA 1.624 53.633 52.037 -0.046 0.000 0.627 425 A CB -0.625 18.358 19.000 -0.027 0.000 0.815 425 A HN 0.357 nan 8.150 nan 0.000 0.443 426 S N -0.587 115.016 115.700 -0.162 0.000 2.355 426 S HA -0.116 4.398 4.470 0.072 0.000 0.222 426 S C 1.935 176.416 174.600 -0.199 0.000 1.031 426 S CA 1.472 59.542 58.200 -0.216 0.000 0.993 426 S CB -0.512 62.532 63.200 -0.261 0.000 0.859 426 S HN 0.294 nan 8.310 nan 0.000 0.453 427 V N 2.638 122.391 119.914 -0.269 0.000 2.278 427 V HA -0.229 3.934 4.120 0.072 0.000 0.251 427 V C 2.636 178.684 176.094 -0.075 0.000 1.062 427 V CA 2.223 64.410 62.300 -0.189 0.000 1.038 427 V CB -0.768 30.919 31.823 -0.228 0.000 0.646 427 V HN 0.474 nan 8.190 nan 0.000 0.447 428 R N -0.547 119.922 120.500 -0.053 0.000 2.148 428 R HA -0.052 4.332 4.340 0.072 0.000 0.227 428 R C 2.439 178.718 176.300 -0.036 0.000 1.103 428 R CA 0.912 57.002 56.100 -0.016 0.000 0.983 428 R CB -0.295 30.012 30.300 0.012 0.000 0.874 428 R HN 0.480 nan 8.270 nan 0.000 0.451 429 R N 0.362 120.825 120.500 -0.062 0.000 2.189 429 R HA 0.017 4.401 4.340 0.072 0.000 0.218 429 R C 1.629 177.892 176.300 -0.061 0.000 1.074 429 R CA 0.797 56.859 56.100 -0.064 0.000 0.991 429 R CB 0.089 30.337 30.300 -0.087 0.000 0.883 429 R HN 0.201 nan 8.270 nan 0.000 0.457 430 L N -0.371 120.813 121.223 -0.066 0.000 2.616 430 L HA 0.093 4.476 4.340 0.072 0.000 0.229 430 L C 0.547 177.391 176.870 -0.042 0.000 1.110 430 L CA 0.282 55.087 54.840 -0.058 0.000 0.884 430 L CB 0.774 42.790 42.059 -0.071 0.000 1.115 430 L HN 0.040 nan 8.230 nan 0.000 0.481 431 T N -2.690 111.843 114.554 -0.034 0.000 3.444 431 T HA 0.400 4.793 4.350 0.072 0.000 0.265 431 T C -2.572 172.114 174.700 -0.024 0.000 1.537 431 T CA -1.718 60.366 62.100 -0.026 0.000 1.530 431 T CB 0.142 68.999 68.868 -0.019 0.000 0.958 431 T HN -0.218 nan 8.240 nan 0.000 0.684 432 P HA 0.241 nan 4.420 nan 0.000 0.268 432 P C 0.734 178.022 177.300 -0.020 0.000 1.208 432 P CA 0.549 63.636 63.100 -0.020 0.000 0.777 432 P CB 0.408 32.096 31.700 -0.020 0.000 0.875 433 S N -1.753 113.936 115.700 -0.018 0.000 3.084 433 S HA -0.151 4.362 4.470 0.072 0.000 0.277 433 S C 0.196 174.784 174.600 -0.021 0.000 1.295 433 S CA 1.041 59.230 58.200 -0.018 0.000 1.170 433 S CB -1.758 61.432 63.200 -0.016 0.000 1.412 433 S HN 0.624 nan 8.310 nan 0.000 0.669 434 C N 1.944 121.229 119.300 -0.024 0.000 2.411 434 C HA 0.600 5.103 4.460 0.072 0.000 0.330 434 C C 0.296 175.266 174.990 -0.035 0.000 1.224 434 C CA -0.843 58.156 59.018 -0.032 0.000 1.770 434 C CB 1.373 29.091 27.740 -0.037 0.000 2.297 434 C HN 0.453 nan 8.230 nan 0.000 0.507 435 E N 2.261 122.434 120.200 -0.044 0.000 2.101 435 E HA 0.409 4.802 4.350 0.072 0.000 0.260 435 E C -0.987 175.559 176.600 -0.091 0.000 0.897 435 E CA 0.034 56.404 56.400 -0.050 0.000 0.744 435 E CB 0.960 30.637 29.700 -0.038 0.000 1.140 435 E HN 0.575 nan 8.360 nan 0.000 0.419 436 I N 2.557 123.053 120.570 -0.123 0.000 2.312 436 I HA 0.186 4.400 4.170 0.072 0.000 0.290 436 I C 0.123 176.041 176.117 -0.332 0.000 1.008 436 I CA -0.467 60.664 61.300 -0.281 0.000 1.226 436 I CB 1.376 39.154 38.000 -0.369 0.000 1.371 436 I HN 0.228 nan 8.210 nan 0.000 0.468 437 T N 6.251 120.608 114.554 -0.329 0.000 2.799 437 T HA 0.491 4.885 4.350 0.072 0.000 0.286 437 T C -0.445 174.029 174.700 -0.376 0.000 0.973 437 T CA -0.194 61.774 62.100 -0.220 0.000 1.035 437 T CB 0.489 69.296 68.868 -0.102 0.000 0.932 437 T HN 0.121 nan 8.240 nan 0.000 0.469 438 F N 2.630 122.567 119.950 -0.023 0.000 2.427 438 F HA 0.606 5.176 4.527 0.071 0.000 0.346 438 F C 0.275 176.128 175.800 0.088 0.000 1.120 438 F CA -0.946 57.082 58.000 0.047 0.000 1.033 438 F CB 1.006 40.041 39.000 0.059 0.000 1.126 438 F HN 0.310 nan 8.300 nan 0.000 0.462 439 I N 2.539 123.251 120.570 0.236 0.000 2.545 439 I HA 0.259 4.473 4.170 0.072 0.000 0.292 439 I C -0.665 175.561 176.117 0.181 0.000 1.040 439 I CA -0.761 60.650 61.300 0.184 0.000 1.068 439 I CB 2.231 40.291 38.000 0.099 0.000 1.251 439 I HN 0.562 nan 8.210 nan 0.000 0.424 440 E N 4.127 124.443 120.200 0.193 0.000 2.229 440 E HA 0.218 4.612 4.350 0.072 0.000 0.283 440 E C -0.350 176.312 176.600 0.102 0.000 1.030 440 E CA -0.445 56.053 56.400 0.162 0.000 0.836 440 E CB 1.112 30.939 29.700 0.212 0.000 1.068 440 E HN 0.584 nan 8.360 nan 0.000 0.401 441 S N 3.088 118.830 115.700 0.071 0.000 2.576 441 S HA 0.100 4.614 4.470 0.072 0.000 0.276 441 S C -0.102 174.529 174.600 0.051 0.000 1.339 441 S CA -0.762 57.473 58.200 0.057 0.000 1.039 441 S CB 0.777 64.001 63.200 0.041 0.000 0.902 441 S HN 0.416 nan 8.310 nan 0.000 0.516 442 E N 1.063 121.292 120.200 0.048 0.000 2.129 442 E HA 0.220 4.613 4.350 0.072 0.000 0.268 442 E C -0.675 175.942 176.600 0.028 0.000 0.900 442 E CA -0.820 55.601 56.400 0.035 0.000 0.755 442 E CB 0.672 30.395 29.700 0.038 0.000 1.117 442 E HN 0.627 nan 8.360 nan 0.000 0.410 443 E N 1.951 122.157 120.200 0.010 0.000 2.238 443 E HA -0.227 4.167 4.350 0.072 0.000 0.219 443 E C 0.922 177.531 176.600 0.016 0.000 1.275 443 E CA 0.879 57.280 56.400 0.002 0.000 0.714 443 E CB -1.485 28.213 29.700 -0.003 0.000 1.154 443 E HN 0.960 nan 8.360 nan 0.000 0.363 444 G N 0.292 109.103 108.800 0.018 0.000 2.421 444 G HA2 -0.233 3.770 3.960 0.072 0.000 0.217 444 G HA3 -0.233 3.770 3.960 0.072 0.000 0.217 444 G C 1.442 176.355 174.900 0.022 0.000 1.143 444 G CA 0.958 46.076 45.100 0.029 0.000 0.784 444 G HN 0.452 nan 8.290 nan 0.000 0.541 445 S N 0.771 116.477 115.700 0.009 0.000 2.343 445 S HA 0.007 4.520 4.470 0.072 0.000 0.219 445 S C 2.545 177.157 174.600 0.021 0.000 1.033 445 S CA 2.104 60.310 58.200 0.010 0.000 1.014 445 S CB -0.938 62.263 63.200 0.002 0.000 0.915 445 S HN 0.385 nan 8.310 nan 0.000 0.435 446 G N 1.461 110.270 108.800 0.015 0.000 2.421 446 G HA2 -0.152 3.851 3.960 0.072 0.000 0.216 446 G HA3 -0.152 3.851 3.960 0.072 0.000 0.216 446 G C 1.719 176.630 174.900 0.019 0.000 1.171 446 G CA 0.530 45.641 45.100 0.018 0.000 0.775 446 G HN 0.547 nan 8.290 nan 0.000 0.543 447 R N 0.197 120.709 120.500 0.021 0.000 2.115 447 R HA -0.033 4.350 4.340 0.072 0.000 0.230 447 R C 2.870 179.173 176.300 0.005 0.000 1.111 447 R CA 0.974 57.082 56.100 0.013 0.000 0.976 447 R CB -0.514 29.806 30.300 0.033 0.000 0.870 447 R HN 0.375 nan 8.270 nan 0.000 0.445 448 G N 0.792 109.608 108.800 0.027 0.000 2.402 448 G HA2 -0.204 3.799 3.960 0.072 0.000 0.216 448 G HA3 -0.204 3.799 3.960 0.072 0.000 0.216 448 G C 1.561 176.465 174.900 0.007 0.000 1.162 448 G CA 0.698 45.819 45.100 0.035 0.000 0.777 448 G HN 0.377 nan 8.290 nan 0.000 0.539 449 A N 1.296 124.122 122.820 0.011 0.000 1.877 449 A HA 0.281 4.645 4.320 0.072 0.000 0.216 449 A C 2.821 180.384 177.584 -0.036 0.000 1.186 449 A CA 2.267 54.316 52.037 0.019 0.000 0.620 449 A CB -0.863 18.180 19.000 0.071 0.000 0.822 449 A HN 0.755 nan 8.150 nan 0.000 0.443 450 A N -0.382 122.392 122.820 -0.077 0.000 1.902 450 A HA -0.037 4.327 4.320 0.072 0.000 0.217 450 A C 2.177 179.476 177.584 -0.475 0.000 1.181 450 A CA 1.517 53.399 52.037 -0.257 0.000 0.623 450 A CB -0.613 18.284 19.000 -0.172 0.000 0.818 450 A HN 0.467 nan 8.150 nan 0.000 0.443 451 L N -0.629 120.428 121.223 -0.277 0.000 2.046 451 L HA -0.163 4.220 4.340 0.072 0.000 0.208 451 L C 2.520 179.286 176.870 -0.173 0.000 1.077 451 L CA 1.094 55.791 54.840 -0.240 0.000 0.747 451 L CB -0.492 41.519 42.059 -0.080 0.000 0.896 451 L HN 0.246 nan 8.230 nan 0.000 0.432 452 V N -1.209 118.640 119.914 -0.108 0.000 2.343 452 V HA -0.262 3.902 4.120 0.072 0.000 0.247 452 V C 2.548 178.585 176.094 -0.094 0.000 1.051 452 V CA 1.941 64.196 62.300 -0.075 0.000 1.036 452 V CB -0.344 31.455 31.823 -0.039 0.000 0.654 452 V HN 0.369 nan 8.190 nan 0.000 0.451 453 S N 0.286 115.903 115.700 -0.140 0.000 2.368 453 S HA -0.166 4.348 4.470 0.072 0.000 0.225 453 S C 2.247 176.784 174.600 -0.104 0.000 1.030 453 S CA 1.389 59.544 58.200 -0.075 0.000 0.999 453 S CB -0.513 62.693 63.200 0.010 0.000 0.844 453 S HN 0.653 nan 8.310 nan 0.000 0.459 454 A N 0.868 123.402 122.820 -0.477 0.000 1.978 454 A HA -0.070 4.293 4.320 0.072 0.000 0.220 454 A C 2.261 179.813 177.584 -0.053 0.000 1.170 454 A CA 1.538 53.392 52.037 -0.305 0.000 0.636 454 A CB -0.679 18.004 19.000 -0.527 0.000 0.810 454 A HN 0.374 nan 8.150 nan 0.000 0.448 455 V N -0.746 119.125 119.914 -0.071 0.000 2.535 455 V HA -0.088 4.075 4.120 0.072 0.000 0.246 455 V C 2.976 179.072 176.094 0.003 0.000 1.045 455 V CA 1.492 63.777 62.300 -0.024 0.000 1.058 455 V CB -0.987 30.816 31.823 -0.032 0.000 0.689 455 V HN 0.596 nan 8.190 nan 0.000 0.461 456 A N 0.282 123.107 122.820 0.008 0.000 1.858 456 A HA -0.181 4.182 4.320 0.072 0.000 0.216 456 A C 1.729 179.341 177.584 0.047 0.000 1.190 456 A CA 1.551 53.603 52.037 0.027 0.000 0.617 456 A CB -0.898 18.122 19.000 0.033 0.000 0.827 456 A HN 0.737 nan 8.150 nan 0.000 0.443 457 C N 0.000 119.351 119.300 0.084 0.000 2.653 457 C HA 0.000 4.503 4.460 0.072 0.000 0.325 457 C CA 0.000 59.071 59.018 0.088 0.000 1.963 457 C CB 0.000 27.822 27.740 0.136 0.000 2.134 457 C HN 0.000 nan 8.230 nan 0.000 0.568