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 3kq5_1_A DATA FIRST_RESID 13 DATA SEQUENCE NQFYKPGMLV PVFSAAGLLK NGRYQFLLQQ IETLSLLPTE QYAQLYEALV DATA SEQUENCE YRFVEFVQVL PIRLDEPLCS LMNEGLLRGV NSLNHYIQNH PEATPLERYA DATA SEQUENCE LFSAGLLLEV AHAVVNQKIF ITDEEGNFIK QWNPFSGPLI DDVETKHYKI DATA SEQUENCE MPLSSYYQRN IPSITPILVR QLLPDEGFLW LTSDMRVFSD WMQALRDDXX DATA SEQUENCE XXXGRFEHVL QLFKHKNIDG LFNTLPALPV NLQDSPATAH ADAFLNWLKE DATA SEQUENCE ALATNQIKVN TSDAGVHVIP EGVFLEKTGI FKQYIDLHVN VPVNLFTVYQ DATA SEQUENCE QFGNLFGLTK LSGIDYRFEQ LFXXXXDALK RKSKMGFAGL XXXXXXSPTR DATA SEQUENCE EGVLIADPNL IFTRGEIPSA TXYLKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 N HA 0.000 nan 4.740 nan 0.000 0.220 13 N C 0.000 175.370 175.510 -0.233 0.000 1.280 13 N CA 0.000 52.955 53.050 -0.158 0.000 0.885 13 N CB 0.000 38.400 38.487 -0.145 0.000 1.341 14 Q N 1.648 121.233 119.800 -0.357 0.000 2.342 14 Q HA 0.685 5.004 4.340 -0.036 0.000 0.267 14 Q C -1.233 174.481 176.000 -0.477 0.000 1.038 14 Q CA -0.502 55.159 55.803 -0.236 0.000 0.832 14 Q CB 1.536 30.219 28.738 -0.092 0.000 1.323 14 Q HN 0.437 nan 8.270 nan 0.000 0.448 15 F N 1.067 121.048 119.950 0.052 0.000 2.579 15 F HA 0.341 4.845 4.527 -0.037 0.000 0.324 15 F C -0.677 175.183 175.800 0.099 0.000 1.058 15 F CA -0.912 57.133 58.000 0.075 0.000 0.944 15 F CB 0.988 40.019 39.000 0.051 0.000 1.245 15 F HN 0.491 nan 8.300 nan 0.000 0.477 16 Y N 2.162 122.570 120.300 0.180 0.000 2.359 16 Y HA 0.489 5.019 4.550 -0.034 0.000 0.330 16 Y C -0.059 175.893 175.900 0.086 0.000 1.143 16 Y CA -0.845 57.309 58.100 0.090 0.000 1.318 16 Y CB 0.246 38.744 38.460 0.064 0.000 1.234 16 Y HN 0.605 nan 8.280 nan 0.000 0.522 17 K N 7.702 127.721 120.400 -0.634 0.000 2.240 17 K HA 0.471 4.769 4.320 -0.036 0.000 0.271 17 K C -2.969 173.123 176.600 -0.847 0.000 1.018 17 K CA -2.248 53.730 56.287 -0.516 0.000 0.874 17 K CB -0.138 32.182 32.500 -0.300 0.000 1.098 17 K HN 0.608 nan 8.250 nan 0.000 0.458 18 P HA 0.015 nan 4.420 nan 0.000 0.258 18 P C 0.922 178.093 177.300 -0.214 0.000 1.172 18 P CA 1.904 64.883 63.100 -0.202 0.000 0.762 18 P CB 0.428 32.095 31.700 -0.056 0.000 0.764 19 G N 2.151 110.880 108.800 -0.118 0.000 2.194 19 G HA2 -0.254 3.684 3.960 -0.036 0.000 0.236 19 G HA3 -0.254 3.684 3.960 -0.036 0.000 0.236 19 G C 0.107 174.956 174.900 -0.086 0.000 0.987 19 G CA -0.103 44.956 45.100 -0.070 0.000 0.635 19 G HN 0.482 nan 8.290 nan 0.000 0.520 20 M N 0.681 120.169 119.600 -0.186 0.000 2.291 20 M HA 0.636 5.094 4.480 -0.036 0.000 0.324 20 M C 0.576 176.892 176.300 0.028 0.000 1.148 20 M CA -0.457 54.771 55.300 -0.119 0.000 1.104 20 M CB 0.902 33.381 32.600 -0.201 0.000 1.483 20 M HN 0.099 nan 8.290 nan 0.000 0.467 21 L N 2.133 123.340 121.223 -0.027 0.000 2.312 21 L HA 0.499 4.817 4.340 -0.036 0.000 0.281 21 L C -0.860 175.957 176.870 -0.089 0.000 1.070 21 L CA -0.982 53.824 54.840 -0.055 0.000 0.805 21 L CB 0.979 42.975 42.059 -0.105 0.000 1.174 21 L HN 0.344 nan 8.230 nan 0.000 0.434 22 V N 3.366 123.106 119.914 -0.290 0.000 2.483 22 V HA 0.416 4.514 4.120 -0.036 0.000 0.295 22 V C -2.069 173.724 176.094 -0.501 0.000 1.035 22 V CA -1.732 60.296 62.300 -0.454 0.000 0.896 22 V CB 1.573 32.838 31.823 -0.930 0.000 0.986 22 V HN 0.624 nan 8.190 nan 0.000 0.447 23 P HA 0.330 nan 4.420 nan 0.000 0.279 23 P C -0.748 176.140 177.300 -0.688 0.000 1.252 23 P CA -0.323 62.433 63.100 -0.574 0.000 0.811 23 P CB 1.198 32.526 31.700 -0.620 0.000 1.035 24 V N 2.106 121.660 119.914 -0.599 0.000 2.539 24 V HA 0.377 4.475 4.120 -0.036 0.000 0.292 24 V C 0.127 175.878 176.094 -0.572 0.000 1.045 24 V CA -0.059 62.016 62.300 -0.374 0.000 0.945 24 V CB 0.107 31.792 31.823 -0.231 0.000 0.993 24 V HN 0.390 nan 8.190 nan 0.000 0.464 25 F N 1.147 121.036 119.950 -0.102 0.000 2.579 25 F HA 0.608 5.112 4.527 -0.037 0.000 0.324 25 F C 0.606 176.345 175.800 -0.100 0.000 1.058 25 F CA -0.656 57.285 58.000 -0.099 0.000 0.944 25 F CB 2.077 41.017 39.000 -0.100 0.000 1.245 25 F HN 0.514 nan 8.300 nan 0.000 0.477 26 S N 0.567 116.344 115.700 0.128 0.000 2.646 26 S HA 0.597 5.046 4.470 -0.036 0.000 0.276 26 S C 0.785 175.405 174.600 0.034 0.000 1.222 26 S CA -0.257 57.978 58.200 0.058 0.000 1.014 26 S CB 1.536 64.769 63.200 0.056 0.000 0.991 26 S HN 0.853 nan 8.310 nan 0.000 0.533 27 A N 1.923 124.753 122.820 0.017 0.000 1.940 27 A HA 0.107 4.405 4.320 -0.036 0.000 0.219 27 A C 2.348 179.861 177.584 -0.120 0.000 1.176 27 A CA 1.826 53.812 52.037 -0.086 0.000 0.631 27 A CB -1.641 17.350 19.000 -0.015 0.000 0.814 27 A HN 1.369 nan 8.150 nan 0.000 0.446 28 A N -0.486 122.380 122.820 0.077 0.000 1.908 28 A HA 0.089 4.387 4.320 -0.036 0.000 0.218 28 A C 2.403 179.993 177.584 0.010 0.000 1.181 28 A CA 1.971 54.076 52.037 0.114 0.000 0.627 28 A CB -1.344 17.751 19.000 0.158 0.000 0.818 28 A HN 0.740 nan 8.150 nan 0.000 0.445 29 G N -0.399 108.408 108.800 0.012 0.000 2.408 29 G HA2 -0.091 3.847 3.960 -0.036 0.000 0.217 29 G HA3 -0.091 3.847 3.960 -0.036 0.000 0.217 29 G C 1.491 176.316 174.900 -0.125 0.000 1.150 29 G CA 0.981 46.084 45.100 0.005 0.000 0.776 29 G HN 0.444 nan 8.290 nan 0.000 0.542 30 L N -0.321 120.773 121.223 -0.215 0.000 2.313 30 L HA 0.225 4.543 4.340 -0.036 0.000 0.214 30 L C 2.069 178.651 176.870 -0.480 0.000 1.119 30 L CA 0.307 54.916 54.840 -0.385 0.000 0.809 30 L CB -0.043 41.779 42.059 -0.394 0.000 0.933 30 L HN 0.136 nan 8.230 nan 0.000 0.449 31 L N 0.083 121.066 121.223 -0.400 0.000 2.700 31 L HA 0.049 4.367 4.340 -0.036 0.000 0.234 31 L C 2.059 178.897 176.870 -0.054 0.000 1.156 31 L CA -0.009 54.592 54.840 -0.398 0.000 0.946 31 L CB -0.101 41.660 42.059 -0.496 0.000 1.216 31 L HN 0.265 nan 8.230 nan 0.000 0.493 32 K N -0.694 119.702 120.400 -0.006 0.000 2.288 32 K HA -0.072 4.226 4.320 -0.036 0.000 0.201 32 K C 0.962 177.635 176.600 0.123 0.000 1.048 32 K CA 0.337 56.665 56.287 0.068 0.000 0.956 32 K CB -0.031 32.496 32.500 0.045 0.000 0.746 32 K HN 0.187 nan 8.250 nan 0.000 0.461 33 N N 1.094 119.911 118.700 0.194 0.000 2.492 33 N HA -0.038 4.680 4.740 -0.036 0.000 0.260 33 N C 0.978 176.588 175.510 0.168 0.000 1.215 33 N CA 0.512 53.665 53.050 0.172 0.000 0.923 33 N CB 1.223 39.811 38.487 0.169 0.000 1.092 33 N HN 0.296 nan 8.380 nan 0.000 0.448 34 G N 3.754 112.618 108.800 0.106 0.000 2.475 34 G HA2 -0.260 3.678 3.960 -0.036 0.000 0.220 34 G HA3 -0.260 3.678 3.960 -0.036 0.000 0.220 34 G C 1.539 176.532 174.900 0.155 0.000 1.125 34 G CA 0.468 45.634 45.100 0.110 0.000 0.755 34 G HN 0.585 nan 8.290 nan 0.000 0.565 35 R N -0.303 120.255 120.500 0.096 0.000 2.096 35 R HA -0.041 4.278 4.340 -0.036 0.000 0.235 35 R C 2.253 178.605 176.300 0.087 0.000 1.127 35 R CA 0.981 57.159 56.100 0.129 0.000 0.968 35 R CB -0.967 29.327 30.300 -0.009 0.000 0.861 35 R HN 0.540 nan 8.270 nan 0.000 0.440 36 Y N 1.230 121.583 120.300 0.088 0.000 2.242 36 Y HA -0.104 4.424 4.550 -0.037 0.000 0.291 36 Y C 2.553 178.491 175.900 0.063 0.000 1.137 36 Y CA 0.940 59.049 58.100 0.015 0.000 1.181 36 Y CB -0.207 38.243 38.460 -0.016 0.000 0.989 36 Y HN -0.018 nan 8.280 nan 0.000 0.527 37 Q N -1.131 118.833 119.800 0.274 0.000 2.172 37 Q HA -0.134 4.185 4.340 -0.036 0.000 0.200 37 Q C 2.172 178.342 176.000 0.284 0.000 0.964 37 Q CA 0.915 56.865 55.803 0.246 0.000 0.855 37 Q CB -0.703 28.162 28.738 0.211 0.000 0.918 37 Q HN 0.487 nan 8.270 nan 0.000 0.444 38 F N 1.270 121.305 119.950 0.142 0.000 2.186 38 F HA -0.104 4.402 4.527 -0.035 0.000 0.299 38 F C 2.033 177.979 175.800 0.243 0.000 1.090 38 F CA 0.576 58.692 58.000 0.194 0.000 1.307 38 F CB -0.449 38.705 39.000 0.255 0.000 1.019 38 F HN 0.045 nan 8.300 nan 0.000 0.489 39 L N -0.414 120.818 121.223 0.015 0.000 2.017 39 L HA -0.225 4.093 4.340 -0.036 0.000 0.208 39 L C 2.255 179.038 176.870 -0.146 0.000 1.073 39 L CA 1.523 56.099 54.840 -0.439 0.000 0.745 39 L CB -0.482 41.104 42.059 -0.787 0.000 0.894 39 L HN 0.174 nan 8.230 nan 0.000 0.432 40 L N -0.285 120.948 121.223 0.017 0.000 2.046 40 L HA -0.261 4.058 4.340 -0.036 0.000 0.208 40 L C 2.783 179.642 176.870 -0.019 0.000 1.077 40 L CA 1.835 56.741 54.840 0.109 0.000 0.747 40 L CB -0.685 41.529 42.059 0.258 0.000 0.896 40 L HN 0.512 nan 8.230 nan 0.000 0.432 41 Q N -0.496 119.290 119.800 -0.023 0.000 2.124 41 Q HA -0.240 4.078 4.340 -0.036 0.000 0.202 41 Q C 2.097 177.981 176.000 -0.194 0.000 0.977 41 Q CA 1.364 57.105 55.803 -0.104 0.000 0.850 41 Q CB -0.210 28.561 28.738 0.055 0.000 0.901 41 Q HN 0.465 nan 8.270 nan 0.000 0.429 42 Q N 0.347 120.024 119.800 -0.206 0.000 2.079 42 Q HA -0.088 4.230 4.340 -0.036 0.000 0.200 42 Q C 2.335 178.224 176.000 -0.185 0.000 0.974 42 Q CA 1.114 56.797 55.803 -0.201 0.000 0.840 42 Q CB -0.070 28.565 28.738 -0.172 0.000 0.898 42 Q HN 0.510 nan 8.270 nan 0.000 0.430 43 I N 1.173 121.622 120.570 -0.201 0.000 2.151 43 I HA -0.287 3.861 4.170 -0.036 0.000 0.243 43 I C 2.419 178.282 176.117 -0.424 0.000 1.080 43 I CA 1.465 62.586 61.300 -0.298 0.000 1.339 43 I CB -1.080 36.731 38.000 -0.315 0.000 1.039 43 I HN 0.380 nan 8.210 nan 0.000 0.409 44 E N 0.829 120.692 120.200 -0.562 0.000 2.070 44 E HA -0.232 4.097 4.350 -0.036 0.000 0.197 44 E C 2.048 178.392 176.600 -0.427 0.000 1.004 44 E CA 2.347 58.246 56.400 -0.835 0.000 0.805 44 E CB 0.072 28.999 29.700 -1.289 0.000 0.744 44 E HN 0.434 nan 8.360 nan 0.000 0.451 45 T N 1.400 115.773 114.554 -0.303 0.000 2.746 45 T HA -0.121 4.208 4.350 -0.036 0.000 0.267 45 T C 1.872 176.493 174.700 -0.131 0.000 1.039 45 T CA 1.284 63.279 62.100 -0.176 0.000 1.142 45 T CB -0.192 68.602 68.868 -0.123 0.000 0.866 45 T HN 0.177 nan 8.240 nan 0.000 0.444 46 L N 1.793 122.933 121.223 -0.139 0.000 2.275 46 L HA -0.065 4.253 4.340 -0.036 0.000 0.215 46 L C 2.833 179.666 176.870 -0.062 0.000 1.119 46 L CA 1.109 55.908 54.840 -0.069 0.000 0.790 46 L CB -0.767 41.272 42.059 -0.034 0.000 0.919 46 L HN 0.374 nan 8.230 nan 0.000 0.443 47 S N 0.040 115.629 115.700 -0.184 0.000 2.423 47 S HA -0.127 4.321 4.470 -0.036 0.000 0.231 47 S C 1.453 176.082 174.600 0.049 0.000 1.014 47 S CA 0.559 58.672 58.200 -0.144 0.000 0.965 47 S CB -0.229 62.694 63.200 -0.462 0.000 0.785 47 S HN 0.428 nan 8.310 nan 0.000 0.495 48 L N -0.734 120.492 121.223 0.006 0.000 4.696 48 L HA -0.152 4.167 4.340 -0.036 0.000 0.425 48 L C -0.319 176.578 176.870 0.045 0.000 1.115 48 L CA 0.125 54.988 54.840 0.038 0.000 0.996 48 L CB -2.021 40.089 42.059 0.084 0.000 2.077 48 L HN 0.422 nan 8.230 nan 0.000 0.792 49 L N -0.144 121.099 121.223 0.033 0.000 2.344 49 L HA 0.560 4.878 4.340 -0.036 0.000 0.272 49 L C -1.604 175.270 176.870 0.006 0.000 1.035 49 L CA -1.915 52.947 54.840 0.037 0.000 0.807 49 L CB 0.793 42.898 42.059 0.076 0.000 1.237 49 L HN -0.256 nan 8.230 nan 0.000 0.442 50 P HA 0.021 nan 4.420 nan 0.000 0.270 50 P C 0.643 177.956 177.300 0.022 0.000 1.227 50 P CA -0.102 62.993 63.100 -0.008 0.000 0.788 50 P CB 0.464 32.152 31.700 -0.020 0.000 0.926 51 T N -0.188 114.376 114.554 0.017 0.000 2.759 51 T HA -0.203 4.125 4.350 -0.036 0.000 0.269 51 T C 1.977 176.733 174.700 0.093 0.000 1.042 51 T CA 2.151 64.290 62.100 0.066 0.000 1.140 51 T CB -0.661 68.222 68.868 0.025 0.000 0.864 51 T HN 0.631 nan 8.240 nan 0.000 0.455 52 E N 1.061 121.278 120.200 0.029 0.000 2.077 52 E HA -0.207 4.121 4.350 -0.036 0.000 0.193 52 E C 1.993 178.581 176.600 -0.021 0.000 0.989 52 E CA 1.442 57.841 56.400 -0.001 0.000 0.800 52 E CB -0.769 28.915 29.700 -0.028 0.000 0.746 52 E HN 0.528 nan 8.360 nan 0.000 0.452 53 Q N -1.448 118.336 119.800 -0.028 0.000 2.096 53 Q HA 0.074 4.393 4.340 -0.036 0.000 0.197 53 Q C 2.018 178.002 176.000 -0.025 0.000 0.964 53 Q CA 1.268 57.022 55.803 -0.082 0.000 0.838 53 Q CB -0.507 28.146 28.738 -0.141 0.000 0.906 53 Q HN 0.813 nan 8.270 nan 0.000 0.444 54 Y N 0.652 120.933 120.300 -0.031 0.000 2.114 54 Y HA -0.295 4.234 4.550 -0.035 0.000 0.282 54 Y C 2.000 177.937 175.900 0.062 0.000 1.165 54 Y CA 1.820 59.935 58.100 0.025 0.000 1.148 54 Y CB -0.496 37.911 38.460 -0.089 0.000 0.972 54 Y HN 0.080 nan 8.280 nan 0.000 0.504 55 A N 0.483 123.202 122.820 -0.168 0.000 1.877 55 A HA -0.273 4.026 4.320 -0.036 0.000 0.216 55 A C 2.342 179.811 177.584 -0.192 0.000 1.186 55 A CA 1.911 53.816 52.037 -0.221 0.000 0.620 55 A CB -1.069 17.914 19.000 -0.029 0.000 0.822 55 A HN 0.717 nan 8.150 nan 0.000 0.443 56 Q N -0.685 119.036 119.800 -0.131 0.000 2.084 56 Q HA -0.109 4.209 4.340 -0.036 0.000 0.202 56 Q C 1.949 177.885 176.000 -0.107 0.000 0.978 56 Q CA 1.591 57.328 55.803 -0.110 0.000 0.844 56 Q CB -0.121 28.546 28.738 -0.118 0.000 0.898 56 Q HN 0.686 nan 8.270 nan 0.000 0.426 57 L N -1.586 119.552 121.223 -0.143 0.000 2.262 57 L HA -0.005 4.313 4.340 -0.036 0.000 0.197 57 L C 1.890 178.763 176.870 0.005 0.000 1.073 57 L CA 0.507 55.241 54.840 -0.177 0.000 0.800 57 L CB -0.251 41.492 42.059 -0.525 0.000 0.987 57 L HN 0.227 nan 8.230 nan 0.000 0.470 58 Y N -0.206 120.005 120.300 -0.149 0.000 2.266 58 Y HA -0.069 4.462 4.550 -0.032 0.000 0.294 58 Y C 2.645 178.460 175.900 -0.142 0.000 1.127 58 Y CA 0.811 58.875 58.100 -0.060 0.000 1.140 58 Y CB 0.114 38.425 38.460 -0.247 0.000 1.071 58 Y HN 0.061 nan 8.280 nan 0.000 0.525 59 E N 0.409 120.420 120.200 -0.314 0.000 2.077 59 E HA -0.237 4.091 4.350 -0.036 0.000 0.193 59 E C 2.281 178.922 176.600 0.068 0.000 0.989 59 E CA 1.132 57.450 56.400 -0.136 0.000 0.800 59 E CB -0.160 29.351 29.700 -0.315 0.000 0.746 59 E HN 0.432 nan 8.360 nan 0.000 0.452 60 A N 0.880 123.695 122.820 -0.009 0.000 1.902 60 A HA -0.176 4.123 4.320 -0.036 0.000 0.217 60 A C 2.115 179.791 177.584 0.153 0.000 1.181 60 A CA 1.295 53.362 52.037 0.050 0.000 0.623 60 A CB -0.662 18.341 19.000 0.005 0.000 0.818 60 A HN 0.368 nan 8.150 nan 0.000 0.443 61 L N 0.110 121.434 121.223 0.168 0.000 1.989 61 L HA -0.142 4.177 4.340 -0.036 0.000 0.211 61 L C 2.379 179.400 176.870 0.252 0.000 1.071 61 L CA 2.235 57.194 54.840 0.198 0.000 0.749 61 L CB -0.766 41.419 42.059 0.211 0.000 0.890 61 L HN 0.152 nan 8.230 nan 0.000 0.431 62 V N -0.810 119.293 119.914 0.316 0.000 2.255 62 V HA -0.370 3.728 4.120 -0.036 0.000 0.247 62 V C 2.324 178.593 176.094 0.292 0.000 1.051 62 V CA 2.352 64.853 62.300 0.335 0.000 1.018 62 V CB -0.951 31.078 31.823 0.344 0.000 0.641 62 V HN 0.507 nan 8.190 nan 0.000 0.445 63 Y N 0.261 120.638 120.300 0.128 0.000 2.128 63 Y HA -0.244 4.284 4.550 -0.037 0.000 0.284 63 Y C 2.773 178.729 175.900 0.092 0.000 1.154 63 Y CA 1.822 59.971 58.100 0.083 0.000 1.149 63 Y CB -0.267 38.224 38.460 0.053 0.000 0.976 63 Y HN 0.111 nan 8.280 nan 0.000 0.505 64 R N -1.037 119.618 120.500 0.258 0.000 2.096 64 R HA -0.176 4.142 4.340 -0.036 0.000 0.235 64 R C 2.086 178.513 176.300 0.212 0.000 1.127 64 R CA 1.580 57.796 56.100 0.193 0.000 0.968 64 R CB -0.601 29.789 30.300 0.149 0.000 0.861 64 R HN 0.320 nan 8.270 nan 0.000 0.440 65 F N 1.588 121.579 119.950 0.067 0.000 2.075 65 F HA -0.217 4.286 4.527 -0.040 0.000 0.297 65 F C 2.135 177.981 175.800 0.077 0.000 1.113 65 F CA 1.632 59.663 58.000 0.050 0.000 1.218 65 F CB -0.615 38.385 39.000 -0.000 0.000 0.984 65 F HN -0.158 nan 8.300 nan 0.000 0.472 66 V N -1.256 118.567 119.914 -0.150 0.000 2.427 66 V HA -0.211 3.887 4.120 -0.036 0.000 0.248 66 V C 2.057 178.020 176.094 -0.218 0.000 1.051 66 V CA 2.149 64.246 62.300 -0.340 0.000 1.048 66 V CB -1.164 30.488 31.823 -0.286 0.000 0.666 66 V HN 0.465 nan 8.190 nan 0.000 0.456 67 E N -0.227 119.928 120.200 -0.075 0.000 2.118 67 E HA -0.171 4.157 4.350 -0.036 0.000 0.195 67 E C 1.856 178.425 176.600 -0.052 0.000 0.992 67 E CA 1.840 58.218 56.400 -0.036 0.000 0.804 67 E CB -0.277 29.454 29.700 0.053 0.000 0.741 67 E HN 0.754 nan 8.360 nan 0.000 0.458 68 F N 0.467 120.336 119.950 -0.134 0.000 2.098 68 F HA -0.152 4.355 4.527 -0.034 0.000 0.294 68 F C 2.155 177.859 175.800 -0.160 0.000 1.107 68 F CA 1.379 59.333 58.000 -0.076 0.000 1.234 68 F CB -0.111 38.900 39.000 0.018 0.000 1.002 68 F HN -0.070 nan 8.300 nan 0.000 0.472 69 V N -2.070 117.738 119.914 -0.178 0.000 3.406 69 V HA 0.040 4.138 4.120 -0.036 0.000 0.263 69 V C 1.205 177.128 176.094 -0.286 0.000 1.172 69 V CA 0.278 62.414 62.300 -0.274 0.000 1.140 69 V CB -0.376 31.238 31.823 -0.349 0.000 0.784 69 V HN 0.537 nan 8.190 nan 0.000 0.467 70 Q N 0.765 120.401 119.800 -0.273 0.000 1.640 70 Q HA -0.290 4.028 4.340 -0.036 0.000 0.401 70 Q C 1.324 177.251 176.000 -0.122 0.000 0.902 70 Q CA 3.082 58.789 55.803 -0.160 0.000 0.738 70 Q CB -1.666 26.995 28.738 -0.128 0.000 4.166 70 Q HN 1.196 nan 8.270 nan 0.000 0.686 71 V N -0.942 118.966 119.914 -0.011 0.000 3.421 71 V HA 0.320 4.418 4.120 -0.036 0.000 0.316 71 V C 1.059 177.143 176.094 -0.017 0.000 1.347 71 V CA 0.158 62.443 62.300 -0.026 0.000 1.183 71 V CB -0.437 31.402 31.823 0.027 0.000 1.092 71 V HN 0.319 nan 8.190 nan 0.000 0.433 72 L N 3.087 124.288 121.223 -0.037 0.000 2.485 72 L HA 0.280 4.598 4.340 -0.036 0.000 0.275 72 L C -1.694 175.170 176.870 -0.010 0.000 1.207 72 L CA -1.168 53.656 54.840 -0.027 0.000 0.855 72 L CB 0.444 42.475 42.059 -0.046 0.000 1.114 72 L HN 0.193 nan 8.230 nan 0.000 0.485 73 P HA 0.146 nan 4.420 nan 0.000 0.276 73 P C 0.793 178.144 177.300 0.086 0.000 1.244 73 P CA -0.377 62.751 63.100 0.047 0.000 0.801 73 P CB 1.140 32.884 31.700 0.074 0.000 1.006 74 I N -0.185 120.447 120.570 0.103 0.000 2.286 74 I HA -0.136 4.013 4.170 -0.036 0.000 0.248 74 I C 1.451 177.731 176.117 0.272 0.000 1.115 74 I CA 1.653 63.053 61.300 0.166 0.000 1.392 74 I CB -0.173 37.901 38.000 0.123 0.000 1.065 74 I HN 0.331 nan 8.210 nan 0.000 0.418 75 R N -0.908 119.698 120.500 0.177 0.000 2.774 75 R HA 0.392 4.710 4.340 -0.036 0.000 0.272 75 R C 0.303 176.680 176.300 0.128 0.000 1.000 75 R CA -0.709 55.474 56.100 0.137 0.000 0.906 75 R CB 1.864 32.236 30.300 0.121 0.000 1.227 75 R HN -0.053 nan 8.270 nan 0.000 0.468 76 L N 1.130 122.419 121.223 0.109 0.000 2.362 76 L HA -0.131 4.188 4.340 -0.036 0.000 0.219 76 L C 1.028 178.004 176.870 0.176 0.000 1.134 76 L CA 1.194 56.113 54.840 0.132 0.000 0.807 76 L CB -0.224 41.901 42.059 0.110 0.000 0.927 76 L HN 0.667 nan 8.230 nan 0.000 0.447 77 D N -1.551 118.942 120.400 0.154 0.000 2.342 77 D HA 0.021 4.639 4.640 -0.036 0.000 0.221 77 D C 0.482 176.962 176.300 0.300 0.000 1.101 77 D CA 0.054 54.152 54.000 0.163 0.000 0.837 77 D CB 0.140 40.979 40.800 0.065 0.000 0.938 77 D HN 0.149 nan 8.370 nan 0.000 0.508 78 E N 0.934 121.322 120.200 0.312 0.000 2.243 78 E HA 0.411 4.740 4.350 -0.036 0.000 0.260 78 E C -2.518 174.184 176.600 0.170 0.000 0.985 78 E CA -2.215 54.368 56.400 0.305 0.000 0.858 78 E CB 1.141 30.941 29.700 0.166 0.000 1.210 78 E HN 0.026 nan 8.360 nan 0.000 0.411 79 P HA 0.094 nan 4.420 nan 0.000 0.271 79 P C 0.099 177.286 177.300 -0.187 0.000 1.218 79 P CA -0.077 62.742 63.100 -0.468 0.000 0.780 79 P CB 0.408 31.856 31.700 -0.419 0.000 0.901 80 L N 2.575 123.688 121.223 -0.184 0.000 2.554 80 L HA -0.167 4.152 4.340 -0.036 0.000 0.293 80 L C 0.877 177.702 176.870 -0.075 0.000 1.252 80 L CA 0.381 55.175 54.840 -0.076 0.000 0.862 80 L CB -0.497 41.534 42.059 -0.047 0.000 1.113 80 L HN 0.715 nan 8.230 nan 0.000 0.510 81 C N -0.389 118.881 119.300 -0.050 0.000 4.784 81 C HA -0.228 4.211 4.460 -0.036 0.000 0.261 81 C C 2.238 177.220 174.990 -0.012 0.000 1.492 81 C CA 0.760 59.750 59.018 -0.046 0.000 1.622 81 C CB -2.915 24.801 27.740 -0.041 0.000 1.855 81 C HN 1.065 nan 8.230 nan 0.000 0.662 82 S N -0.026 115.669 115.700 -0.007 0.000 2.423 82 S HA -0.067 4.381 4.470 -0.036 0.000 0.231 82 S C 1.381 176.008 174.600 0.045 0.000 1.014 82 S CA 1.392 59.607 58.200 0.024 0.000 0.965 82 S CB -0.170 63.047 63.200 0.027 0.000 0.785 82 S HN 0.540 nan 8.310 nan 0.000 0.495 83 L N 2.720 123.958 121.223 0.025 0.000 1.988 83 L HA 0.050 4.369 4.340 -0.036 0.000 0.207 83 L C 2.689 179.608 176.870 0.082 0.000 1.071 83 L CA 2.439 57.300 54.840 0.034 0.000 0.744 83 L CB -1.066 40.991 42.059 -0.004 0.000 0.893 83 L HN 0.619 nan 8.230 nan 0.000 0.433 84 M N -1.963 117.623 119.600 -0.024 0.000 2.117 84 M HA -0.153 4.305 4.480 -0.036 0.000 0.262 84 M C 1.770 178.186 176.300 0.193 0.000 1.065 84 M CA 2.070 57.381 55.300 0.019 0.000 1.114 84 M CB -0.793 31.693 32.600 -0.190 0.000 1.361 84 M HN 0.157 nan 8.290 nan 0.000 0.408 85 N N 0.898 119.681 118.700 0.138 0.000 2.171 85 N HA -0.087 4.632 4.740 -0.036 0.000 0.184 85 N C 1.747 177.348 175.510 0.151 0.000 1.021 85 N CA 1.428 54.581 53.050 0.172 0.000 0.854 85 N CB -0.355 38.216 38.487 0.140 0.000 0.994 85 N HN 0.503 nan 8.380 nan 0.000 0.426 86 E N 0.261 120.542 120.200 0.134 0.000 2.153 86 E HA -0.069 4.259 4.350 -0.036 0.000 0.194 86 E C 1.915 178.546 176.600 0.051 0.000 0.988 86 E CA 0.839 57.325 56.400 0.143 0.000 0.811 86 E CB -0.296 29.486 29.700 0.137 0.000 0.746 86 E HN 0.407 nan 8.360 nan 0.000 0.466 87 G N 1.340 110.181 108.800 0.068 0.000 2.421 87 G HA2 -0.214 3.724 3.960 -0.036 0.000 0.216 87 G HA3 -0.214 3.724 3.960 -0.036 0.000 0.216 87 G C 1.726 176.517 174.900 -0.181 0.000 1.171 87 G CA 0.383 45.426 45.100 -0.095 0.000 0.775 87 G HN 0.133 nan 8.290 nan 0.000 0.543 88 L N -0.123 121.109 121.223 0.015 0.000 2.056 88 L HA 0.057 4.375 4.340 -0.036 0.000 0.207 88 L C 2.908 179.779 176.870 0.002 0.000 1.078 88 L CA 0.441 55.297 54.840 0.028 0.000 0.749 88 L CB -0.303 41.852 42.059 0.159 0.000 0.901 88 L HN 0.177 nan 8.230 nan 0.000 0.433 89 L N -0.689 120.557 121.223 0.038 0.000 2.017 89 L HA -0.235 4.083 4.340 -0.036 0.000 0.208 89 L C 2.804 179.641 176.870 -0.054 0.000 1.073 89 L CA 1.287 56.190 54.840 0.105 0.000 0.745 89 L CB -0.481 41.733 42.059 0.259 0.000 0.894 89 L HN 0.223 nan 8.230 nan 0.000 0.432 90 R N 0.101 120.342 120.500 -0.432 0.000 2.081 90 R HA -0.146 4.172 4.340 -0.036 0.000 0.235 90 R C 2.254 178.209 176.300 -0.574 0.000 1.131 90 R CA 1.553 56.966 56.100 -1.144 0.000 0.960 90 R CB -0.502 29.084 30.300 -1.189 0.000 0.856 90 R HN 0.394 nan 8.270 nan 0.000 0.436 91 G N -0.258 108.297 108.800 -0.408 0.000 2.421 91 G HA2 -0.247 3.691 3.960 -0.036 0.000 0.216 91 G HA3 -0.247 3.691 3.960 -0.036 0.000 0.216 91 G C 1.344 176.342 174.900 0.164 0.000 1.171 91 G CA 0.772 45.681 45.100 -0.320 0.000 0.775 91 G HN 0.302 nan 8.290 nan 0.000 0.543 92 V N 0.813 120.861 119.914 0.223 0.000 2.488 92 V HA -0.067 4.031 4.120 -0.036 0.000 0.246 92 V C 2.413 178.640 176.094 0.222 0.000 1.046 92 V CA 2.081 64.540 62.300 0.265 0.000 1.053 92 V CB -0.324 31.591 31.823 0.155 0.000 0.679 92 V HN 0.270 nan 8.190 nan 0.000 0.458 93 N N 0.167 118.982 118.700 0.192 0.000 2.207 93 N HA -0.068 4.650 4.740 -0.036 0.000 0.182 93 N C 2.028 177.679 175.510 0.235 0.000 1.020 93 N CA 1.649 54.847 53.050 0.247 0.000 0.858 93 N CB -0.427 38.259 38.487 0.332 0.000 0.991 93 N HN 0.438 nan 8.380 nan 0.000 0.427 94 S N 1.543 117.318 115.700 0.125 0.000 2.359 94 S HA -0.130 4.318 4.470 -0.036 0.000 0.224 94 S C 1.956 176.697 174.600 0.235 0.000 1.035 94 S CA 0.787 59.069 58.200 0.136 0.000 1.018 94 S CB -0.429 62.748 63.200 -0.038 0.000 0.876 94 S HN 0.241 nan 8.310 nan 0.000 0.448 95 L N 2.596 123.943 121.223 0.207 0.000 2.046 95 L HA -0.101 4.218 4.340 -0.036 0.000 0.208 95 L C 1.877 178.916 176.870 0.282 0.000 1.077 95 L CA 1.982 56.976 54.840 0.256 0.000 0.747 95 L CB -0.997 41.226 42.059 0.274 0.000 0.896 95 L HN 0.279 nan 8.230 nan 0.000 0.432 96 N N -1.470 117.375 118.700 0.242 0.000 2.084 96 N HA -0.289 4.429 4.740 -0.036 0.000 0.190 96 N C 2.089 177.731 175.510 0.221 0.000 1.030 96 N CA 1.804 54.975 53.050 0.202 0.000 0.849 96 N CB -0.243 38.347 38.487 0.172 0.000 1.012 96 N HN 0.650 nan 8.380 nan 0.000 0.423 97 H N -1.648 117.537 119.070 0.191 0.000 2.299 97 H HA -0.140 4.395 4.556 -0.036 0.000 0.302 97 H C 1.845 177.303 175.328 0.217 0.000 1.078 97 H CA 1.983 58.138 56.048 0.178 0.000 1.323 97 H CB -0.395 29.473 29.762 0.177 0.000 1.381 97 H HN 0.349 nan 8.280 nan 0.000 0.498 98 Y N 0.732 121.261 120.300 0.382 0.000 2.102 98 Y HA -0.307 4.224 4.550 -0.032 0.000 0.280 98 Y C 2.304 178.383 175.900 0.299 0.000 1.178 98 Y CA 2.201 60.536 58.100 0.392 0.000 1.146 98 Y CB -0.430 38.258 38.460 0.380 0.000 0.968 98 Y HN 0.264 nan 8.280 nan 0.000 0.504 99 I N -0.068 120.705 120.570 0.339 0.000 2.226 99 I HA -0.370 3.779 4.170 -0.036 0.000 0.245 99 I C 2.610 178.749 176.117 0.037 0.000 1.100 99 I CA 1.755 63.173 61.300 0.196 0.000 1.374 99 I CB -0.557 37.559 38.000 0.194 0.000 1.057 99 I HN 0.351 nan 8.210 nan 0.000 0.413 100 Q N 1.250 121.045 119.800 -0.009 0.000 2.096 100 Q HA -0.289 4.029 4.340 -0.036 0.000 0.208 100 Q C 1.767 177.659 176.000 -0.181 0.000 0.993 100 Q CA 2.440 58.177 55.803 -0.110 0.000 0.862 100 Q CB -0.139 28.473 28.738 -0.209 0.000 0.915 100 Q HN 0.591 nan 8.270 nan 0.000 0.416 101 N N -1.482 117.060 118.700 -0.264 0.000 2.416 101 N HA -0.050 4.668 4.740 -0.036 0.000 0.177 101 N C -0.309 174.765 175.510 -0.726 0.000 1.036 101 N CA 0.260 53.022 53.050 -0.480 0.000 0.901 101 N CB 0.356 38.508 38.487 -0.557 0.000 0.976 101 N HN 0.232 nan 8.380 nan 0.000 0.444 102 H N -0.550 118.396 119.070 -0.207 0.000 2.488 102 H HA 0.171 4.706 4.556 -0.035 0.000 0.237 102 H C -2.018 173.265 175.328 -0.075 0.000 1.395 102 H CA -1.500 54.430 56.048 -0.197 0.000 1.491 102 H CB 1.315 30.828 29.762 -0.415 0.000 1.567 102 H HN 0.156 nan 8.280 nan 0.000 0.508 103 P HA -0.145 nan 4.420 nan 0.000 0.222 103 P C 1.331 178.674 177.300 0.071 0.000 1.147 103 P CA 1.039 64.163 63.100 0.041 0.000 0.790 103 P CB 0.446 32.152 31.700 0.010 0.000 0.780 104 E N 0.028 120.276 120.200 0.079 0.000 2.489 104 E HA 0.088 4.416 4.350 -0.036 0.000 0.193 104 E C 0.477 177.147 176.600 0.115 0.000 1.057 104 E CA -0.227 56.223 56.400 0.083 0.000 0.866 104 E CB -0.831 28.907 29.700 0.064 0.000 0.916 104 E HN 0.008 nan 8.360 nan 0.000 0.500 105 A N 2.114 125.034 122.820 0.166 0.000 2.567 105 A HA 0.159 4.457 4.320 -0.036 0.000 0.240 105 A C 0.805 178.500 177.584 0.185 0.000 1.053 105 A CA 0.524 52.703 52.037 0.235 0.000 0.755 105 A CB -0.312 18.938 19.000 0.417 0.000 0.978 105 A HN 0.433 nan 8.150 nan 0.000 0.507 106 T N 1.148 115.794 114.554 0.153 0.000 2.828 106 T HA 0.374 4.702 4.350 -0.036 0.000 0.290 106 T C -1.776 173.011 174.700 0.145 0.000 1.019 106 T CA -1.115 61.058 62.100 0.122 0.000 1.031 106 T CB 0.470 69.383 68.868 0.074 0.000 1.001 106 T HN 0.344 nan 8.240 nan 0.000 0.531 107 P HA -0.069 nan 4.420 nan 0.000 0.216 107 P C 1.613 178.993 177.300 0.134 0.000 1.150 107 P CA 0.375 63.638 63.100 0.272 0.000 0.843 107 P CB -0.057 31.895 31.700 0.419 0.000 0.787 108 L N 0.209 121.321 121.223 -0.185 0.000 2.072 108 L HA -0.098 4.220 4.340 -0.036 0.000 0.205 108 L C 1.994 178.679 176.870 -0.308 0.000 1.079 108 L CA 1.878 56.263 54.840 -0.759 0.000 0.752 108 L CB -1.369 40.158 42.059 -0.885 0.000 0.906 108 L HN -0.072 nan 8.230 nan 0.000 0.436 109 E N -0.517 119.638 120.200 -0.075 0.000 2.085 109 E HA -0.246 4.082 4.350 -0.036 0.000 0.194 109 E C 2.250 178.898 176.600 0.080 0.000 0.994 109 E CA 1.348 57.806 56.400 0.096 0.000 0.801 109 E CB -0.129 29.687 29.700 0.194 0.000 0.743 109 E HN 0.509 nan 8.360 nan 0.000 0.453 110 R N -0.170 120.413 120.500 0.139 0.000 2.073 110 R HA -0.164 4.154 4.340 -0.036 0.000 0.234 110 R C 2.337 178.771 176.300 0.222 0.000 1.134 110 R CA 1.398 57.622 56.100 0.206 0.000 0.952 110 R CB -0.418 30.058 30.300 0.293 0.000 0.850 110 R HN 0.221 nan 8.270 nan 0.000 0.433 111 Y N 1.324 121.655 120.300 0.052 0.000 2.200 111 Y HA -0.145 4.386 4.550 -0.032 0.000 0.290 111 Y C 2.220 177.991 175.900 -0.215 0.000 1.137 111 Y CA 0.927 58.961 58.100 -0.110 0.000 1.163 111 Y CB -0.524 37.841 38.460 -0.159 0.000 0.988 111 Y HN 0.055 nan 8.280 nan 0.000 0.518 112 A N 0.027 122.629 122.820 -0.364 0.000 1.883 112 A HA -0.204 4.094 4.320 -0.036 0.000 0.217 112 A C 2.210 179.496 177.584 -0.498 0.000 1.186 112 A CA 1.922 53.630 52.037 -0.549 0.000 0.624 112 A CB -1.261 17.514 19.000 -0.376 0.000 0.822 112 A HN 0.514 nan 8.150 nan 0.000 0.444 113 L N -1.706 119.109 121.223 -0.680 0.000 2.056 113 L HA -0.013 4.305 4.340 -0.036 0.000 0.207 113 L C 2.177 178.825 176.870 -0.371 0.000 1.078 113 L CA 2.152 56.511 54.840 -0.801 0.000 0.749 113 L CB -0.868 40.739 42.059 -0.753 0.000 0.901 113 L HN 0.407 nan 8.230 nan 0.000 0.433 114 F N 0.438 120.217 119.950 -0.284 0.000 2.095 114 F HA -0.253 4.255 4.527 -0.031 0.000 0.298 114 F C 2.707 178.338 175.800 -0.282 0.000 1.104 114 F CA 1.966 59.858 58.000 -0.181 0.000 1.232 114 F CB -0.752 38.278 39.000 0.050 0.000 0.987 114 F HN 0.326 nan 8.300 nan 0.000 0.475 115 S N 0.480 115.899 115.700 -0.470 0.000 2.402 115 S HA -0.071 4.377 4.470 -0.036 0.000 0.229 115 S C 2.246 176.620 174.600 -0.378 0.000 1.021 115 S CA 0.703 58.606 58.200 -0.495 0.000 0.974 115 S CB -1.197 61.739 63.200 -0.441 0.000 0.800 115 S HN 0.462 nan 8.310 nan 0.000 0.484 116 A N 2.056 124.711 122.820 -0.276 0.000 1.873 116 A HA 0.262 4.560 4.320 -0.036 0.000 0.215 116 A C 2.397 179.714 177.584 -0.446 0.000 1.186 116 A CA 1.458 53.268 52.037 -0.379 0.000 0.616 116 A CB -1.705 17.054 19.000 -0.403 0.000 0.823 116 A HN 0.623 nan 8.150 nan 0.000 0.442 117 G N -0.319 108.188 108.800 -0.488 0.000 2.402 117 G HA2 -0.115 3.824 3.960 -0.036 0.000 0.216 117 G HA3 -0.115 3.824 3.960 -0.036 0.000 0.216 117 G C 1.515 176.059 174.900 -0.594 0.000 1.162 117 G CA 1.130 45.923 45.100 -0.512 0.000 0.777 117 G HN 0.430 nan 8.290 nan 0.000 0.539 118 L N 0.247 121.000 121.223 -0.783 0.000 1.989 118 L HA 0.077 4.395 4.340 -0.036 0.000 0.211 118 L C 2.480 178.825 176.870 -0.876 0.000 1.071 118 L CA 1.536 55.822 54.840 -0.923 0.000 0.749 118 L CB -0.209 41.148 42.059 -1.171 0.000 0.890 118 L HN 0.186 nan 8.230 nan 0.000 0.431 119 L N -1.215 119.611 121.223 -0.662 0.000 2.591 119 L HA -0.016 4.302 4.340 -0.036 0.000 0.228 119 L C 2.103 178.797 176.870 -0.292 0.000 1.133 119 L CA -0.275 54.298 54.840 -0.445 0.000 0.880 119 L CB -0.279 41.574 42.059 -0.344 0.000 1.033 119 L HN 0.287 nan 8.230 nan 0.000 0.450 120 L N 0.723 121.751 121.223 -0.325 0.000 2.064 120 L HA -0.265 4.054 4.340 -0.036 0.000 0.216 120 L C 1.766 178.523 176.870 -0.188 0.000 1.077 120 L CA 2.052 56.739 54.840 -0.255 0.000 0.766 120 L CB -0.210 41.697 42.059 -0.254 0.000 0.890 120 L HN 0.294 nan 8.230 nan 0.000 0.435 121 E N -1.881 118.201 120.200 -0.197 0.000 2.499 121 E HA 0.039 4.367 4.350 -0.036 0.000 0.199 121 E C 1.800 178.311 176.600 -0.148 0.000 1.016 121 E CA 0.045 56.257 56.400 -0.313 0.000 0.933 121 E CB 0.428 29.799 29.700 -0.548 0.000 1.050 121 E HN 0.306 nan 8.360 nan 0.000 0.462 122 V N 0.973 120.895 119.914 0.013 0.000 2.568 122 V HA -0.260 3.838 4.120 -0.036 0.000 0.253 122 V C 2.123 178.324 176.094 0.179 0.000 1.072 122 V CA 2.101 64.493 62.300 0.153 0.000 1.084 122 V CB -0.191 31.707 31.823 0.125 0.000 0.676 122 V HN 0.411 nan 8.190 nan 0.000 0.469 123 A N -1.688 121.220 122.820 0.147 0.000 2.125 123 A HA -0.227 4.071 4.320 -0.036 0.000 0.219 123 A C 1.863 179.584 177.584 0.228 0.000 1.156 123 A CA 1.557 53.693 52.037 0.165 0.000 0.671 123 A CB -0.907 18.174 19.000 0.136 0.000 0.794 123 A HN 0.808 nan 8.150 nan 0.000 0.459 124 H N -0.711 118.396 119.070 0.063 0.000 2.456 124 H HA -0.085 4.445 4.556 -0.044 0.000 0.296 124 H C 2.408 177.763 175.328 0.044 0.000 1.079 124 H CA 0.674 56.755 56.048 0.056 0.000 1.322 124 H CB 0.056 29.853 29.762 0.058 0.000 1.388 124 H HN 0.595 nan 8.280 nan 0.000 0.538 125 A N 0.720 123.651 122.820 0.185 0.000 2.070 125 A HA -0.083 4.215 4.320 -0.036 0.000 0.220 125 A C 2.492 180.062 177.584 -0.024 0.000 1.159 125 A CA 1.246 53.333 52.037 0.084 0.000 0.656 125 A CB -0.295 18.761 19.000 0.092 0.000 0.800 125 A HN 0.194 nan 8.150 nan 0.000 0.453 126 V N -0.715 119.178 119.914 -0.036 0.000 2.672 126 V HA -0.078 4.020 4.120 -0.036 0.000 0.242 126 V C 2.442 178.513 176.094 -0.038 0.000 1.059 126 V CA 1.394 63.622 62.300 -0.120 0.000 1.081 126 V CB 0.066 31.799 31.823 -0.149 0.000 0.752 126 V HN 0.512 nan 8.190 nan 0.000 0.472 127 V N -1.821 118.108 119.914 0.025 0.000 3.052 127 V HA 0.136 4.235 4.120 -0.036 0.000 0.254 127 V C 1.771 177.924 176.094 0.100 0.000 1.100 127 V CA 1.421 63.767 62.300 0.078 0.000 1.112 127 V CB -0.649 31.226 31.823 0.086 0.000 0.738 127 V HN 0.440 nan 8.190 nan 0.000 0.469 128 N N 1.262 119.990 118.700 0.046 0.000 2.415 128 N HA 0.092 4.811 4.740 -0.036 0.000 0.176 128 N C 0.676 176.219 175.510 0.055 0.000 1.042 128 N CA 0.840 53.914 53.050 0.040 0.000 0.902 128 N CB 0.121 38.618 38.487 0.017 0.000 0.986 128 N HN 0.892 nan 8.380 nan 0.000 0.447 129 Q N -0.933 118.895 119.800 0.046 0.000 2.633 129 Q HA 0.310 4.628 4.340 -0.036 0.000 0.289 129 Q C -1.476 174.536 176.000 0.021 0.000 0.940 129 Q CA -0.598 55.219 55.803 0.024 0.000 0.785 129 Q CB 1.457 30.184 28.738 -0.017 0.000 1.467 129 Q HN -0.168 nan 8.270 nan 0.000 0.401 130 K N 0.754 121.157 120.400 0.004 0.000 2.118 130 K HA 0.636 4.934 4.320 -0.036 0.000 0.254 130 K C -0.380 176.214 176.600 -0.010 0.000 0.961 130 K CA -0.920 55.392 56.287 0.041 0.000 0.876 130 K CB 1.136 33.716 32.500 0.134 0.000 1.077 130 K HN 0.455 nan 8.250 nan 0.000 0.440 131 I N 2.961 123.619 120.570 0.147 0.000 2.389 131 I HA 0.260 4.408 4.170 -0.036 0.000 0.288 131 I C -0.777 175.554 176.117 0.356 0.000 0.999 131 I CA -0.648 60.735 61.300 0.137 0.000 1.129 131 I CB 0.767 38.816 38.000 0.082 0.000 1.288 131 I HN 0.396 nan 8.210 nan 0.000 0.444 132 F N 6.326 126.299 119.950 0.038 0.000 2.391 132 F HA 0.415 4.919 4.527 -0.037 0.000 0.359 132 F C 0.683 176.421 175.800 -0.103 0.000 1.122 132 F CA -1.399 56.568 58.000 -0.055 0.000 1.120 132 F CB 0.735 39.719 39.000 -0.028 0.000 1.142 132 F HN 0.214 nan 8.300 nan 0.000 0.483 133 I N 3.450 123.986 120.570 -0.056 0.000 2.533 133 I HA 0.151 4.299 4.170 -0.036 0.000 0.284 133 I C 0.705 176.724 176.117 -0.164 0.000 1.109 133 I CA 0.416 61.660 61.300 -0.094 0.000 1.412 133 I CB 0.608 38.520 38.000 -0.146 0.000 1.396 133 I HN 0.651 nan 8.210 nan 0.000 0.543 134 T N 1.068 115.600 114.554 -0.037 0.000 2.907 134 T HA 0.541 4.869 4.350 -0.036 0.000 0.290 134 T C -0.580 174.122 174.700 0.002 0.000 1.066 134 T CA -1.072 61.007 62.100 -0.035 0.000 1.012 134 T CB 1.799 70.666 68.868 -0.001 0.000 1.184 134 T HN 0.517 nan 8.240 nan 0.000 0.522 135 D N -0.177 120.214 120.400 -0.015 0.000 2.447 135 D HA 0.132 4.751 4.640 -0.036 0.000 0.265 135 D C 1.416 177.662 176.300 -0.090 0.000 1.250 135 D CA -0.630 53.365 54.000 -0.008 0.000 1.046 135 D CB 0.400 41.191 40.800 -0.014 0.000 1.095 135 D HN 0.706 nan 8.370 nan 0.000 0.555 136 E N -0.370 119.751 120.200 -0.131 0.000 2.265 136 E HA -0.211 4.117 4.350 -0.036 0.000 0.196 136 E C 0.871 177.319 176.600 -0.252 0.000 0.996 136 E CA 0.985 57.177 56.400 -0.346 0.000 0.832 136 E CB -0.236 29.332 29.700 -0.219 0.000 0.756 136 E HN 0.414 nan 8.360 nan 0.000 0.491 137 E N 0.202 120.320 120.200 -0.136 0.000 2.385 137 E HA 0.110 4.439 4.350 -0.036 0.000 0.194 137 E C 1.228 177.779 176.600 -0.082 0.000 1.013 137 E CA 0.968 57.313 56.400 -0.093 0.000 0.866 137 E CB 0.262 29.932 29.700 -0.049 0.000 0.832 137 E HN 0.511 nan 8.360 nan 0.000 0.500 138 G N 0.616 109.366 108.800 -0.085 0.000 2.179 138 G HA2 -0.226 3.712 3.960 -0.036 0.000 0.220 138 G HA3 -0.226 3.712 3.960 -0.036 0.000 0.220 138 G C -0.025 174.863 174.900 -0.019 0.000 0.990 138 G CA -0.207 44.860 45.100 -0.054 0.000 0.646 138 G HN 0.161 nan 8.290 nan 0.000 0.517 139 N N 0.493 119.186 118.700 -0.013 0.000 2.468 139 N HA 0.239 4.957 4.740 -0.036 0.000 0.265 139 N C 0.143 175.681 175.510 0.048 0.000 1.199 139 N CA -0.051 53.010 53.050 0.018 0.000 0.928 139 N CB 0.599 39.097 38.487 0.018 0.000 1.059 139 N HN 0.257 nan 8.380 nan 0.000 0.467 140 F N 3.073 122.957 119.950 -0.110 0.000 2.602 140 F HA -0.013 4.492 4.527 -0.037 0.000 0.385 140 F C 1.067 176.807 175.800 -0.101 0.000 1.063 140 F CA 0.201 58.113 58.000 -0.146 0.000 1.233 140 F CB 0.266 39.096 39.000 -0.284 0.000 1.067 140 F HN 0.467 nan 8.300 nan 0.000 0.564 141 I N 4.133 124.485 120.570 -0.363 0.000 2.899 141 I HA 0.067 4.216 4.170 -0.036 0.000 0.257 141 I C 0.033 175.886 176.117 -0.440 0.000 1.115 141 I CA 0.245 61.400 61.300 -0.242 0.000 1.451 141 I CB -0.146 37.751 38.000 -0.172 0.000 1.251 141 I HN 0.550 nan 8.210 nan 0.000 0.456 142 K N 0.464 120.330 120.400 -0.890 0.000 2.578 142 K HA 0.421 4.719 4.320 -0.036 0.000 0.287 142 K C -1.176 175.013 176.600 -0.684 0.000 1.010 142 K CA -0.870 55.041 56.287 -0.627 0.000 0.889 142 K CB 1.609 34.015 32.500 -0.157 0.000 1.514 142 K HN -0.127 nan 8.250 nan 0.000 0.424 143 Q N 1.059 120.765 119.800 -0.157 0.000 2.271 143 Q HA 0.217 4.535 4.340 -0.036 0.000 0.258 143 Q C -1.397 174.709 176.000 0.177 0.000 0.936 143 Q CA -0.857 55.010 55.803 0.107 0.000 0.909 143 Q CB 0.883 29.817 28.738 0.326 0.000 1.253 143 Q HN 0.595 nan 8.270 nan 0.000 0.440 144 W N 4.916 126.210 121.300 -0.010 0.000 2.303 144 W HA 0.177 4.820 4.660 -0.029 0.000 0.318 144 W C -0.675 175.827 176.519 -0.029 0.000 1.362 144 W CA -0.345 56.956 57.345 -0.073 0.000 1.234 144 W CB 0.527 29.882 29.460 -0.175 0.000 1.248 144 W HN 0.568 nan 8.180 nan 0.000 0.546 145 N N 7.920 126.495 118.700 -0.209 0.000 2.527 145 N HA 0.247 4.965 4.740 -0.036 0.000 0.236 145 N C -1.817 173.198 175.510 -0.825 0.000 0.999 145 N CA -2.167 50.658 53.050 -0.374 0.000 0.935 145 N CB 1.447 39.887 38.487 -0.079 0.000 1.132 145 N HN 0.141 nan 8.380 nan 0.000 0.511 146 P HA -0.038 nan 4.420 nan 0.000 0.221 146 P C 0.648 177.634 177.300 -0.523 0.000 1.145 146 P CA 1.007 63.267 63.100 -1.400 0.000 0.795 146 P CB 0.016 30.781 31.700 -1.558 0.000 0.775 147 F N -0.863 118.965 119.950 -0.205 0.000 2.748 147 F HA 0.017 4.513 4.527 -0.052 0.000 0.299 147 F C 1.877 177.657 175.800 -0.033 0.000 1.154 147 F CA 0.873 58.825 58.000 -0.080 0.000 1.446 147 F CB -0.771 38.172 39.000 -0.094 0.000 1.112 147 F HN -0.118 nan 8.300 nan 0.000 0.584 148 S N -0.810 114.946 115.700 0.093 0.000 2.556 148 S HA 0.508 4.956 4.470 -0.036 0.000 0.216 148 S C 0.889 175.571 174.600 0.138 0.000 0.970 148 S CA 0.424 58.686 58.200 0.104 0.000 0.912 148 S CB 0.079 63.328 63.200 0.082 0.000 0.790 148 S HN 0.482 nan 8.310 nan 0.000 0.504 149 G N 2.125 111.045 108.800 0.200 0.000 2.355 149 G HA2 0.087 4.025 3.960 -0.036 0.000 0.619 149 G HA3 0.087 4.025 3.960 -0.036 0.000 0.619 149 G C -3.535 171.669 174.900 0.506 0.000 1.337 149 G CA -1.185 44.089 45.100 0.290 0.000 0.993 149 G HN -0.024 nan 8.290 nan 0.000 0.599 150 P HA 0.320 nan 4.420 nan 0.000 0.274 150 P C 1.351 178.656 177.300 0.009 0.000 1.246 150 P CA -0.475 62.806 63.100 0.301 0.000 0.795 150 P CB 0.908 32.722 31.700 0.190 0.000 1.006 151 L N 1.193 122.097 121.223 -0.531 0.000 2.081 151 L HA -0.231 4.087 4.340 -0.036 0.000 0.212 151 L C 2.295 179.004 176.870 -0.268 0.000 1.080 151 L CA 1.790 56.253 54.840 -0.629 0.000 0.754 151 L CB -1.012 40.509 42.059 -0.897 0.000 0.893 151 L HN 0.421 nan 8.230 nan 0.000 0.433 152 I N -3.790 116.670 120.570 -0.184 0.000 3.176 152 I HA -0.117 4.032 4.170 -0.036 0.000 0.275 152 I C 1.579 177.671 176.117 -0.041 0.000 1.298 152 I CA 1.085 62.326 61.300 -0.099 0.000 1.445 152 I CB -0.697 37.265 38.000 -0.064 0.000 1.075 152 I HN 0.028 nan 8.210 nan 0.000 0.482 153 D N 1.310 121.704 120.400 -0.009 0.000 2.158 153 D HA -0.192 4.427 4.640 -0.036 0.000 0.197 153 D C 0.798 177.100 176.300 0.004 0.000 0.995 153 D CA 1.501 55.514 54.000 0.021 0.000 0.846 153 D CB -0.314 40.523 40.800 0.062 0.000 0.941 153 D HN 0.500 nan 8.370 nan 0.000 0.456 154 D N 0.003 120.393 120.400 -0.016 0.000 2.317 154 D HA 0.037 4.655 4.640 -0.036 0.000 0.234 154 D C 0.906 177.182 176.300 -0.041 0.000 1.112 154 D CA -0.294 53.693 54.000 -0.022 0.000 0.840 154 D CB 1.755 42.541 40.800 -0.024 0.000 1.078 154 D HN -0.220 nan 8.370 nan 0.000 0.486 155 V N 4.383 124.279 119.914 -0.030 0.000 2.970 155 V HA -0.105 3.993 4.120 -0.036 0.000 0.260 155 V C 1.602 177.668 176.094 -0.048 0.000 1.100 155 V CA 1.307 63.585 62.300 -0.037 0.000 1.122 155 V CB -0.100 31.710 31.823 -0.023 0.000 0.721 155 V HN 0.460 nan 8.190 nan 0.000 0.483 156 E N -0.325 119.849 120.200 -0.043 0.000 2.435 156 E HA 0.023 4.351 4.350 -0.036 0.000 0.195 156 E C 1.008 177.570 176.600 -0.063 0.000 1.029 156 E CA 0.158 56.531 56.400 -0.044 0.000 0.865 156 E CB -0.251 29.432 29.700 -0.028 0.000 0.833 156 E HN 0.468 nan 8.360 nan 0.000 0.510 157 T N 2.375 116.881 114.554 -0.081 0.000 2.751 157 T HA 0.085 4.413 4.350 -0.036 0.000 0.290 157 T C 1.060 175.672 174.700 -0.148 0.000 0.919 157 T CA 0.146 62.183 62.100 -0.105 0.000 1.136 157 T CB 0.631 69.421 68.868 -0.130 0.000 0.875 157 T HN -0.161 nan 8.240 nan 0.000 0.532 158 K N 2.018 122.317 120.400 -0.168 0.000 2.435 158 K HA 0.214 4.512 4.320 -0.036 0.000 0.199 158 K C 0.034 176.250 176.600 -0.641 0.000 1.153 158 K CA 0.448 56.508 56.287 -0.377 0.000 0.974 158 K CB 0.601 32.878 32.500 -0.371 0.000 0.997 158 K HN 0.662 nan 8.250 nan 0.000 0.547 159 H N -1.146 117.870 119.070 -0.090 0.000 3.012 159 H HA 0.440 4.975 4.556 -0.036 0.000 0.367 159 H C -1.249 174.073 175.328 -0.010 0.000 1.211 159 H CA -1.023 54.952 56.048 -0.122 0.000 1.139 159 H CB 1.703 31.388 29.762 -0.130 0.000 1.838 159 H HN -0.055 nan 8.280 nan 0.000 0.550 160 Y N -1.724 118.568 120.300 -0.013 0.000 2.609 160 Y HA 0.587 5.117 4.550 -0.034 0.000 0.336 160 Y C -1.573 174.315 175.900 -0.020 0.000 1.129 160 Y CA -1.320 56.751 58.100 -0.049 0.000 1.040 160 Y CB 1.304 39.683 38.460 -0.135 0.000 1.310 160 Y HN 0.312 nan 8.280 nan 0.000 0.460 161 K N 2.469 122.978 120.400 0.181 0.000 2.138 161 K HA 0.574 4.872 4.320 -0.036 0.000 0.263 161 K C -1.164 175.469 176.600 0.054 0.000 0.965 161 K CA -0.770 55.574 56.287 0.096 0.000 0.868 161 K CB 2.254 34.789 32.500 0.058 0.000 1.083 161 K HN 0.670 nan 8.250 nan 0.000 0.443 162 I N 3.691 124.199 120.570 -0.103 0.000 2.312 162 I HA 0.126 4.275 4.170 -0.036 0.000 0.291 162 I C -0.190 175.830 176.117 -0.162 0.000 1.031 162 I CA -0.196 60.959 61.300 -0.242 0.000 1.293 162 I CB 0.651 38.245 38.000 -0.676 0.000 1.403 162 I HN 0.317 nan 8.210 nan 0.000 0.484 163 M N 8.748 128.198 119.600 -0.250 0.000 2.055 163 M HA 0.381 4.839 4.480 -0.036 0.000 0.346 163 M C -2.479 173.758 176.300 -0.104 0.000 1.074 163 M CA -2.357 52.781 55.300 -0.270 0.000 1.009 163 M CB 0.398 32.607 32.600 -0.651 0.000 1.423 163 M HN 0.071 nan 8.290 nan 0.000 0.410 164 P HA 0.220 nan 4.420 nan 0.000 0.267 164 P C -0.604 176.729 177.300 0.055 0.000 1.200 164 P CA 0.034 63.149 63.100 0.025 0.000 0.772 164 P CB 0.606 32.333 31.700 0.044 0.000 0.855 165 L N 1.284 122.559 121.223 0.087 0.000 2.330 165 L HA 0.402 4.721 4.340 -0.036 0.000 0.271 165 L C 1.098 178.032 176.870 0.106 0.000 1.013 165 L CA -0.823 54.102 54.840 0.141 0.000 0.816 165 L CB 1.623 43.827 42.059 0.241 0.000 1.287 165 L HN 0.422 nan 8.230 nan 0.000 0.435 166 S N -0.042 115.715 115.700 0.096 0.000 2.592 166 S HA -0.048 4.400 4.470 -0.036 0.000 0.256 166 S C 1.088 175.719 174.600 0.051 0.000 1.369 166 S CA 0.070 58.306 58.200 0.061 0.000 0.984 166 S CB 0.655 63.884 63.200 0.048 0.000 0.919 166 S HN 0.739 nan 8.310 nan 0.000 0.576 167 S N -0.632 115.086 115.700 0.030 0.000 2.603 167 S HA -0.037 4.411 4.470 -0.036 0.000 0.220 167 S C 1.314 175.899 174.600 -0.026 0.000 0.967 167 S CA 0.239 58.443 58.200 0.007 0.000 0.920 167 S CB -0.989 62.207 63.200 -0.007 0.000 0.773 167 S HN 0.762 nan 8.310 nan 0.000 0.529 168 Y N 2.096 122.284 120.300 -0.186 0.000 2.151 168 Y HA -0.255 4.276 4.550 -0.032 0.000 0.284 168 Y C 1.490 177.227 175.900 -0.272 0.000 1.166 168 Y CA 1.716 59.642 58.100 -0.289 0.000 1.163 168 Y CB -0.554 37.621 38.460 -0.474 0.000 0.974 168 Y HN 0.368 nan 8.280 nan 0.000 0.511 169 Y N -0.162 120.214 120.300 0.126 0.000 2.578 169 Y HA -0.130 4.395 4.550 -0.041 0.000 0.297 169 Y C 2.126 178.001 175.900 -0.042 0.000 1.176 169 Y CA 0.048 58.180 58.100 0.054 0.000 1.315 169 Y CB -0.097 38.436 38.460 0.121 0.000 1.031 169 Y HN 0.202 nan 8.280 nan 0.000 0.524 170 Q N 0.805 120.614 119.800 0.014 0.000 2.226 170 Q HA -0.181 4.138 4.340 -0.036 0.000 0.204 170 Q C 2.166 178.140 176.000 -0.044 0.000 0.975 170 Q CA 1.227 57.013 55.803 -0.029 0.000 0.866 170 Q CB -0.333 28.367 28.738 -0.064 0.000 0.915 170 Q HN 0.685 nan 8.270 nan 0.000 0.440 171 R N 0.103 120.543 120.500 -0.101 0.000 2.193 171 R HA -0.067 4.251 4.340 -0.036 0.000 0.229 171 R C 0.879 177.153 176.300 -0.044 0.000 1.110 171 R CA 1.605 57.640 56.100 -0.108 0.000 0.988 171 R CB -0.403 29.769 30.300 -0.214 0.000 0.871 171 R HN 0.240 nan 8.270 nan 0.000 0.458 172 N N 0.545 119.251 118.700 0.010 0.000 2.412 172 N HA 0.149 4.867 4.740 -0.036 0.000 0.184 172 N C 1.389 176.924 175.510 0.041 0.000 1.101 172 N CA 0.091 53.167 53.050 0.043 0.000 0.881 172 N CB 0.119 38.667 38.487 0.103 0.000 0.969 172 N HN 0.146 nan 8.380 nan 0.000 0.459 173 I N 1.534 122.124 120.570 0.033 0.000 2.151 173 I HA -0.223 3.925 4.170 -0.036 0.000 0.243 173 I C -0.800 175.327 176.117 0.016 0.000 1.080 173 I CA 1.428 62.751 61.300 0.039 0.000 1.339 173 I CB -1.035 36.989 38.000 0.041 0.000 1.039 173 I HN 0.076 nan 8.210 nan 0.000 0.409 174 P HA -0.087 nan 4.420 nan 0.000 0.221 174 P C 1.420 178.707 177.300 -0.022 0.000 1.145 174 P CA 1.289 64.376 63.100 -0.023 0.000 0.795 174 P CB 0.076 31.760 31.700 -0.026 0.000 0.775 175 S N -1.540 114.159 115.700 -0.003 0.000 2.456 175 S HA 0.130 4.578 4.470 -0.036 0.000 0.224 175 S C 1.742 176.352 174.600 0.017 0.000 1.035 175 S CA 0.328 58.527 58.200 -0.002 0.000 0.940 175 S CB -0.499 62.701 63.200 -0.000 0.000 0.799 175 S HN 0.113 nan 8.310 nan 0.000 0.508 176 I N 1.583 122.182 120.570 0.050 0.000 2.406 176 I HA -0.118 4.031 4.170 -0.036 0.000 0.249 176 I C 2.383 178.540 176.117 0.068 0.000 1.122 176 I CA 0.961 62.330 61.300 0.115 0.000 1.431 176 I CB -0.624 37.471 38.000 0.159 0.000 1.087 176 I HN 0.221 nan 8.210 nan 0.000 0.424 177 T N 1.749 116.309 114.554 0.011 0.000 2.607 177 T HA -0.125 4.204 4.350 -0.036 0.000 0.267 177 T C -0.437 174.213 174.700 -0.084 0.000 1.049 177 T CA 1.756 63.828 62.100 -0.048 0.000 1.162 177 T CB -1.497 67.320 68.868 -0.085 0.000 0.863 177 T HN 0.227 nan 8.240 nan 0.000 0.424 178 P HA -0.001 nan 4.420 nan 0.000 0.216 178 P C 1.492 178.772 177.300 -0.033 0.000 1.150 178 P CA 0.988 64.037 63.100 -0.085 0.000 0.837 178 P CB -0.258 31.408 31.700 -0.057 0.000 0.786 179 I N -1.293 119.275 120.570 -0.002 0.000 2.142 179 I HA -0.226 3.923 4.170 -0.036 0.000 0.240 179 I C 2.397 178.520 176.117 0.010 0.000 1.078 179 I CA 1.419 62.733 61.300 0.023 0.000 1.343 179 I CB -0.709 37.346 38.000 0.091 0.000 1.046 179 I HN -0.130 nan 8.210 nan 0.000 0.405 180 L N -0.157 121.068 121.223 0.004 0.000 2.141 180 L HA -0.158 4.160 4.340 -0.036 0.000 0.209 180 L C 2.546 179.323 176.870 -0.156 0.000 1.094 180 L CA 0.719 55.487 54.840 -0.119 0.000 0.763 180 L CB -0.452 41.502 42.059 -0.176 0.000 0.908 180 L HN 0.101 nan 8.230 nan 0.000 0.437 181 V N -0.161 119.690 119.914 -0.104 0.000 2.343 181 V HA -0.285 3.814 4.120 -0.036 0.000 0.247 181 V C 2.661 178.758 176.094 0.006 0.000 1.051 181 V CA 1.768 64.036 62.300 -0.053 0.000 1.036 181 V CB -0.594 31.184 31.823 -0.076 0.000 0.654 181 V HN 0.447 nan 8.190 nan 0.000 0.451 182 R N -0.360 120.098 120.500 -0.069 0.000 2.115 182 R HA -0.188 4.130 4.340 -0.036 0.000 0.230 182 R C 2.397 178.589 176.300 -0.179 0.000 1.111 182 R CA 1.687 57.631 56.100 -0.260 0.000 0.976 182 R CB -0.184 29.797 30.300 -0.531 0.000 0.870 182 R HN 0.639 nan 8.270 nan 0.000 0.445 183 Q N 0.309 120.035 119.800 -0.124 0.000 2.124 183 Q HA -0.137 4.181 4.340 -0.036 0.000 0.202 183 Q C 1.844 177.789 176.000 -0.092 0.000 0.977 183 Q CA 1.341 57.086 55.803 -0.097 0.000 0.850 183 Q CB 0.096 28.782 28.738 -0.088 0.000 0.901 183 Q HN 0.396 nan 8.270 nan 0.000 0.429 184 L N 0.118 121.274 121.223 -0.111 0.000 2.354 184 L HA 0.155 4.473 4.340 -0.036 0.000 0.212 184 L C 0.704 177.584 176.870 0.016 0.000 1.091 184 L CA -0.209 54.585 54.840 -0.077 0.000 0.828 184 L CB 0.221 42.196 42.059 -0.140 0.000 0.973 184 L HN 0.160 nan 8.230 nan 0.000 0.461 185 L N 1.173 122.426 121.223 0.050 0.000 2.416 185 L HA 0.180 4.498 4.340 -0.036 0.000 0.272 185 L C -1.915 175.026 176.870 0.118 0.000 1.161 185 L CA -1.866 53.051 54.840 0.128 0.000 0.845 185 L CB 0.424 42.618 42.059 0.225 0.000 1.119 185 L HN -0.196 nan 8.230 nan 0.000 0.464 186 P HA -0.026 nan 4.420 nan 0.000 0.266 186 P C -0.187 177.186 177.300 0.122 0.000 1.193 186 P CA -0.121 63.037 63.100 0.097 0.000 0.770 186 P CB 0.562 32.307 31.700 0.075 0.000 0.836 187 D N 1.704 122.156 120.400 0.086 0.000 2.117 187 D HA -0.154 4.465 4.640 -0.036 0.000 0.197 187 D C 2.152 178.530 176.300 0.130 0.000 0.987 187 D CA 2.017 56.081 54.000 0.106 0.000 0.829 187 D CB -0.571 40.265 40.800 0.060 0.000 0.961 187 D HN 0.576 nan 8.370 nan 0.000 0.460 188 E N 0.664 120.904 120.200 0.068 0.000 2.150 188 E HA -0.031 4.297 4.350 -0.036 0.000 0.193 188 E C 2.254 178.899 176.600 0.076 0.000 0.985 188 E CA 1.397 57.813 56.400 0.026 0.000 0.814 188 E CB -1.315 28.352 29.700 -0.056 0.000 0.752 188 E HN 0.361 nan 8.360 nan 0.000 0.466 189 G N -0.647 108.228 108.800 0.125 0.000 2.421 189 G HA2 -0.121 3.817 3.960 -0.036 0.000 0.216 189 G HA3 -0.121 3.817 3.960 -0.036 0.000 0.216 189 G C 1.576 176.665 174.900 0.314 0.000 1.171 189 G CA 0.993 46.251 45.100 0.263 0.000 0.775 189 G HN 0.481 nan 8.290 nan 0.000 0.543 190 F N 0.673 120.695 119.950 0.119 0.000 2.186 190 F HA 0.083 4.579 4.527 -0.052 0.000 0.299 190 F C 2.258 178.069 175.800 0.018 0.000 1.090 190 F CA 0.914 58.948 58.000 0.057 0.000 1.307 190 F CB -0.145 38.916 39.000 0.102 0.000 1.019 190 F HN 0.103 nan 8.300 nan 0.000 0.489 191 L N -0.409 120.888 121.223 0.122 0.000 2.046 191 L HA -0.199 4.119 4.340 -0.036 0.000 0.208 191 L C 2.052 178.915 176.870 -0.013 0.000 1.077 191 L CA 1.931 56.777 54.840 0.009 0.000 0.747 191 L CB -1.372 40.730 42.059 0.071 0.000 0.896 191 L HN 0.422 nan 8.230 nan 0.000 0.432 192 W N -0.051 121.155 121.300 -0.157 0.000 2.363 192 W HA -0.157 4.482 4.660 -0.035 0.000 0.296 192 W C 2.301 178.694 176.519 -0.211 0.000 1.212 192 W CA 1.678 58.928 57.345 -0.158 0.000 1.260 192 W CB -0.498 28.881 29.460 -0.136 0.000 1.131 192 W HN 0.157 nan 8.180 nan 0.000 0.530 193 L N 0.089 121.159 121.223 -0.256 0.000 2.083 193 L HA -0.232 4.086 4.340 -0.036 0.000 0.209 193 L C 2.695 179.297 176.870 -0.446 0.000 1.083 193 L CA 2.100 56.659 54.840 -0.469 0.000 0.752 193 L CB -1.382 40.233 42.059 -0.741 0.000 0.899 193 L HN 0.056 nan 8.230 nan 0.000 0.433 194 T N -3.810 110.344 114.554 -0.667 0.000 3.035 194 T HA -0.118 4.210 4.350 -0.036 0.000 0.268 194 T C 1.942 176.384 174.700 -0.431 0.000 1.109 194 T CA 0.940 62.526 62.100 -0.857 0.000 1.119 194 T CB -0.386 67.953 68.868 -0.881 0.000 0.900 194 T HN 0.419 nan 8.240 nan 0.000 0.503 195 S N 0.338 115.885 115.700 -0.255 0.000 2.474 195 S HA -0.029 4.419 4.470 -0.036 0.000 0.235 195 S C 0.613 175.141 174.600 -0.119 0.000 0.997 195 S CA 0.286 58.409 58.200 -0.129 0.000 0.949 195 S CB -0.321 62.872 63.200 -0.011 0.000 0.766 195 S HN 0.654 nan 8.310 nan 0.000 0.517 196 D N -0.096 120.214 120.400 -0.151 0.000 2.505 196 D HA 0.309 4.928 4.640 -0.036 0.000 0.250 196 D C 0.344 176.625 176.300 -0.033 0.000 1.164 196 D CA -0.425 53.523 54.000 -0.087 0.000 0.870 196 D CB 1.687 42.429 40.800 -0.096 0.000 1.160 196 D HN 0.095 nan 8.370 nan 0.000 0.549 197 M N 4.070 123.668 119.600 -0.003 0.000 2.175 197 M HA -0.024 4.434 4.480 -0.036 0.000 0.264 197 M C 1.915 178.282 176.300 0.113 0.000 1.063 197 M CA 1.489 56.836 55.300 0.079 0.000 1.119 197 M CB -0.000 32.630 32.600 0.050 0.000 1.377 197 M HN 0.342 nan 8.290 nan 0.000 0.415 198 R N -1.258 119.273 120.500 0.052 0.000 2.075 198 R HA -0.083 4.235 4.340 -0.036 0.000 0.232 198 R C 2.057 178.385 176.300 0.046 0.000 1.126 198 R CA 1.651 57.772 56.100 0.036 0.000 0.963 198 R CB -0.915 29.385 30.300 -0.000 0.000 0.858 198 R HN 0.282 nan 8.270 nan 0.000 0.435 199 V N 1.047 120.986 119.914 0.041 0.000 2.261 199 V HA -0.263 3.836 4.120 -0.036 0.000 0.246 199 V C 2.045 178.250 176.094 0.186 0.000 1.047 199 V CA 1.827 64.170 62.300 0.072 0.000 1.015 199 V CB -0.643 31.177 31.823 -0.005 0.000 0.642 199 V HN 0.175 nan 8.190 nan 0.000 0.446 200 F N 1.112 121.061 119.950 -0.002 0.000 2.091 200 F HA -0.265 4.249 4.527 -0.022 0.000 0.299 200 F C 2.797 178.711 175.800 0.191 0.000 1.103 200 F CA 1.952 59.995 58.000 0.072 0.000 1.228 200 F CB -0.686 38.299 39.000 -0.025 0.000 0.984 200 F HN 0.127 nan 8.300 nan 0.000 0.477 201 S N -0.192 115.591 115.700 0.138 0.000 2.359 201 S HA -0.217 4.231 4.470 -0.036 0.000 0.224 201 S C 1.849 176.456 174.600 0.012 0.000 1.035 201 S CA 1.890 60.101 58.200 0.018 0.000 1.018 201 S CB -0.584 62.646 63.200 0.051 0.000 0.876 201 S HN 0.479 nan 8.310 nan 0.000 0.448 202 D N -0.364 120.080 120.400 0.074 0.000 2.178 202 D HA -0.059 4.559 4.640 -0.036 0.000 0.202 202 D C 1.309 177.773 176.300 0.274 0.000 0.974 202 D CA 0.753 54.810 54.000 0.095 0.000 0.841 202 D CB -0.414 40.354 40.800 -0.053 0.000 0.953 202 D HN 0.643 nan 8.370 nan 0.000 0.478 203 W N 1.200 122.551 121.300 0.085 0.000 2.379 203 W HA -0.113 4.548 4.660 0.002 0.000 0.307 203 W C 2.081 178.503 176.519 -0.161 0.000 1.200 203 W CA 1.211 58.533 57.345 -0.038 0.000 1.297 203 W CB -0.273 29.115 29.460 -0.120 0.000 1.140 203 W HN -0.183 nan 8.180 nan 0.000 0.507 204 M N 0.342 119.782 119.600 -0.265 0.000 2.159 204 M HA -0.223 4.235 4.480 -0.036 0.000 0.263 204 M C 1.979 178.101 176.300 -0.297 0.000 1.063 204 M CA 1.504 56.524 55.300 -0.466 0.000 1.110 204 M CB -1.356 30.980 32.600 -0.440 0.000 1.374 204 M HN 0.119 nan 8.290 nan 0.000 0.411 205 Q N -0.008 119.698 119.800 -0.156 0.000 2.079 205 Q HA -0.045 4.273 4.340 -0.036 0.000 0.200 205 Q C 2.287 178.228 176.000 -0.098 0.000 0.974 205 Q CA 1.804 57.548 55.803 -0.097 0.000 0.840 205 Q CB -0.653 28.063 28.738 -0.037 0.000 0.898 205 Q HN 0.562 nan 8.270 nan 0.000 0.430 206 A N 1.079 123.854 122.820 -0.074 0.000 1.892 206 A HA -0.175 4.123 4.320 -0.036 0.000 0.218 206 A C 2.201 179.657 177.584 -0.213 0.000 1.188 206 A CA 1.325 53.307 52.037 -0.092 0.000 0.631 206 A CB -0.896 18.074 19.000 -0.050 0.000 0.822 206 A HN 0.359 nan 8.150 nan 0.000 0.447 207 L N -1.300 119.707 121.223 -0.359 0.000 2.450 207 L HA -0.134 4.185 4.340 -0.036 0.000 0.224 207 L C 2.511 179.233 176.870 -0.246 0.000 1.149 207 L CA 0.865 55.472 54.840 -0.388 0.000 0.816 207 L CB -0.289 41.410 42.059 -0.600 0.000 0.932 207 L HN 0.371 nan 8.230 nan 0.000 0.449 208 R N -0.873 119.515 120.500 -0.186 0.000 2.300 208 R HA -0.016 4.303 4.340 -0.036 0.000 0.199 208 R C 0.587 176.841 176.300 -0.078 0.000 0.920 208 R CA 0.027 56.055 56.100 -0.120 0.000 1.046 208 R CB 0.003 30.243 30.300 -0.101 0.000 0.984 208 R HN 0.230 nan 8.270 nan 0.000 0.493 209 D N 0.184 120.537 120.400 -0.078 0.000 3.452 209 D HA -0.320 4.299 4.640 -0.036 0.000 0.164 209 D C 0.098 176.384 176.300 -0.022 0.000 1.074 209 D CA 1.963 55.935 54.000 -0.047 0.000 1.069 209 D CB -1.129 39.645 40.800 -0.044 0.000 0.527 209 D HN 0.281 nan 8.370 nan 0.000 0.558 217 R N -0.231 120.107 120.500 -0.269 0.000 2.249 217 R HA -0.010 4.308 4.340 -0.036 0.000 0.230 217 R C 0.622 176.773 176.300 -0.247 0.000 1.121 217 R CA 1.675 57.580 56.100 -0.325 0.000 0.997 217 R CB -0.299 29.685 30.300 -0.528 0.000 0.867 217 R HN 0.351 nan 8.270 nan 0.000 0.465 218 F N 1.348 121.326 119.950 0.046 0.000 2.721 218 F HA 0.202 4.704 4.527 -0.042 0.000 0.301 218 F C 2.318 178.155 175.800 0.063 0.000 1.096 218 F CA -0.265 57.745 58.000 0.016 0.000 1.308 218 F CB -0.114 38.827 39.000 -0.099 0.000 1.086 218 F HN 0.119 nan 8.300 nan 0.000 0.587 219 E N 0.504 120.828 120.200 0.207 0.000 2.153 219 E HA -0.309 4.019 4.350 -0.036 0.000 0.194 219 E C 1.894 178.610 176.600 0.194 0.000 0.988 219 E CA 1.726 58.221 56.400 0.159 0.000 0.811 219 E CB -0.275 29.493 29.700 0.113 0.000 0.746 219 E HN 0.543 nan 8.360 nan 0.000 0.466 220 H N 0.398 119.557 119.070 0.148 0.000 2.307 220 H HA -0.046 4.487 4.556 -0.037 0.000 0.303 220 H C 2.083 177.501 175.328 0.150 0.000 1.073 220 H CA 1.882 58.016 56.048 0.143 0.000 1.338 220 H CB -0.376 29.476 29.762 0.150 0.000 1.389 220 H HN 0.071 nan 8.280 nan 0.000 0.503 221 V N 0.392 120.362 119.914 0.093 0.000 2.407 221 V HA -0.165 3.933 4.120 -0.036 0.000 0.248 221 V C 2.356 178.458 176.094 0.013 0.000 1.055 221 V CA 1.787 64.093 62.300 0.010 0.000 1.049 221 V CB -0.538 31.449 31.823 0.273 0.000 0.662 221 V HN 0.492 nan 8.190 nan 0.000 0.455 222 L N -0.546 120.715 121.223 0.063 0.000 2.141 222 L HA -0.152 4.166 4.340 -0.036 0.000 0.209 222 L C 2.794 179.707 176.870 0.072 0.000 1.094 222 L CA 1.257 56.126 54.840 0.048 0.000 0.763 222 L CB -0.592 41.474 42.059 0.012 0.000 0.908 222 L HN 0.330 nan 8.230 nan 0.000 0.437 223 Q N 0.032 119.862 119.800 0.051 0.000 2.046 223 Q HA -0.140 4.178 4.340 -0.036 0.000 0.200 223 Q C 2.405 178.455 176.000 0.084 0.000 0.975 223 Q CA 1.407 57.259 55.803 0.082 0.000 0.836 223 Q CB -0.460 28.355 28.738 0.130 0.000 0.896 223 Q HN 0.505 nan 8.270 nan 0.000 0.428 224 L N -0.255 120.937 121.223 -0.052 0.000 2.051 224 L HA -0.231 4.088 4.340 -0.036 0.000 0.214 224 L C 2.368 179.229 176.870 -0.015 0.000 1.076 224 L CA 1.467 56.255 54.840 -0.086 0.000 0.758 224 L CB -0.649 41.227 42.059 -0.303 0.000 0.890 224 L HN 0.128 nan 8.230 nan 0.000 0.433 225 F N 1.107 120.994 119.950 -0.104 0.000 2.095 225 F HA -0.292 4.214 4.527 -0.035 0.000 0.298 225 F C 2.676 178.428 175.800 -0.079 0.000 1.104 225 F CA 2.058 60.014 58.000 -0.073 0.000 1.232 225 F CB -0.192 38.770 39.000 -0.064 0.000 0.987 225 F HN -0.108 nan 8.300 nan 0.000 0.475 226 K N -0.971 119.426 120.400 -0.005 0.000 2.209 226 K HA -0.201 4.097 4.320 -0.036 0.000 0.204 226 K C 1.017 177.377 176.600 -0.399 0.000 1.048 226 K CA 1.821 57.982 56.287 -0.210 0.000 0.940 226 K CB -0.309 32.056 32.500 -0.224 0.000 0.729 226 K HN 0.469 nan 8.250 nan 0.000 0.451 227 H N -0.215 118.800 119.070 -0.092 0.000 2.520 227 H HA 0.247 4.782 4.556 -0.036 0.000 0.284 227 H C -0.520 174.740 175.328 -0.113 0.000 1.037 227 H CA -0.101 55.897 56.048 -0.082 0.000 1.168 227 H CB 0.533 30.268 29.762 -0.046 0.000 1.497 227 H HN 0.067 nan 8.280 nan 0.000 0.547 228 K N 0.521 120.843 120.400 -0.130 0.000 3.071 228 K HA -0.201 4.097 4.320 -0.036 0.000 0.265 228 K C -0.259 176.299 176.600 -0.072 0.000 1.060 228 K CA 0.315 56.502 56.287 -0.166 0.000 0.767 228 K CB -1.080 31.338 32.500 -0.137 0.000 1.241 228 K HN 0.418 nan 8.250 nan 0.000 0.486 229 N N 0.509 119.182 118.700 -0.045 0.000 2.273 229 N HA 0.169 4.888 4.740 -0.036 0.000 0.231 229 N C -0.203 175.293 175.510 -0.024 0.000 1.134 229 N CA -0.006 53.035 53.050 -0.015 0.000 0.856 229 N CB 0.381 38.865 38.487 -0.005 0.000 1.068 229 N HN 0.304 nan 8.380 nan 0.000 0.510 230 I N 0.695 121.251 120.570 -0.023 0.000 2.437 230 I HA 0.110 4.259 4.170 -0.036 0.000 0.298 230 I C -0.467 175.761 176.117 0.184 0.000 0.984 230 I CA -0.591 60.722 61.300 0.021 0.000 1.214 230 I CB 1.119 39.168 38.000 0.081 0.000 1.365 230 I HN -0.144 nan 8.210 nan 0.000 0.469 231 D N 6.496 127.141 120.400 0.408 0.000 2.344 231 D HA 0.293 4.911 4.640 -0.036 0.000 0.253 231 D C 0.128 176.567 176.300 0.231 0.000 1.255 231 D CA 0.249 54.412 54.000 0.271 0.000 0.894 231 D CB 1.104 42.024 40.800 0.200 0.000 1.067 231 D HN 0.638 nan 8.370 nan 0.000 0.492 232 G N 1.363 110.262 108.800 0.166 0.000 2.389 232 G HA2 0.370 4.308 3.960 -0.036 0.000 0.328 232 G HA3 0.370 4.308 3.960 -0.036 0.000 0.328 232 G C 0.966 175.935 174.900 0.115 0.000 1.133 232 G CA -0.587 44.619 45.100 0.177 0.000 0.891 232 G HN 0.457 nan 8.290 nan 0.000 0.485 233 L N -0.044 121.266 121.223 0.144 0.000 2.209 233 L HA 0.250 4.568 4.340 -0.036 0.000 0.207 233 L C 0.010 176.741 176.870 -0.231 0.000 1.094 233 L CA 0.720 55.558 54.840 -0.003 0.000 0.790 233 L CB -0.066 42.066 42.059 0.121 0.000 0.932 233 L HN 0.305 nan 8.230 nan 0.000 0.447 234 F N -0.700 119.291 119.950 0.069 0.000 2.493 234 F HA 0.301 4.807 4.527 -0.035 0.000 0.329 234 F C 0.878 176.724 175.800 0.077 0.000 1.126 234 F CA -0.850 57.192 58.000 0.070 0.000 0.937 234 F CB 1.120 40.157 39.000 0.062 0.000 1.146 234 F HN -0.196 nan 8.300 nan 0.000 0.442 235 N N 0.427 119.223 118.700 0.159 0.000 2.251 235 N HA 0.024 4.742 4.740 -0.036 0.000 0.181 235 N C 0.432 176.016 175.510 0.124 0.000 1.019 235 N CA 0.743 53.860 53.050 0.112 0.000 0.862 235 N CB 0.278 38.798 38.487 0.056 0.000 0.992 235 N HN 0.531 nan 8.380 nan 0.000 0.429 236 T N -0.208 114.431 114.554 0.142 0.000 2.853 236 T HA 0.634 4.963 4.350 -0.036 0.000 0.311 236 T C -1.820 172.929 174.700 0.083 0.000 1.307 236 T CA -0.591 61.567 62.100 0.095 0.000 1.019 236 T CB 0.996 69.897 68.868 0.055 0.000 1.264 236 T HN -0.159 nan 8.240 nan 0.000 0.497 237 L N 3.432 124.666 121.223 0.018 0.000 2.388 237 L HA 0.625 4.943 4.340 -0.036 0.000 0.264 237 L C -2.013 174.799 176.870 -0.097 0.000 0.998 237 L CA -2.185 52.589 54.840 -0.110 0.000 0.817 237 L CB 2.583 44.562 42.059 -0.134 0.000 1.338 237 L HN 0.522 nan 8.230 nan 0.000 0.414 238 P HA 0.211 nan 4.420 nan 0.000 0.274 238 P C -1.234 176.070 177.300 0.007 0.000 1.231 238 P CA -0.433 62.627 63.100 -0.067 0.000 0.790 238 P CB 1.254 32.909 31.700 -0.074 0.000 0.951 239 A N 4.032 126.851 122.820 -0.001 0.000 2.277 239 A HA 0.476 4.775 4.320 -0.036 0.000 0.318 239 A C 0.288 177.858 177.584 -0.023 0.000 1.339 239 A CA -0.710 51.322 52.037 -0.008 0.000 0.875 239 A CB -0.182 18.794 19.000 -0.039 0.000 1.158 239 A HN 0.519 nan 8.150 nan 0.000 0.514 240 L N 1.491 122.693 121.223 -0.035 0.000 2.467 240 L HA 0.610 4.929 4.340 -0.036 0.000 0.270 240 L C -2.701 174.131 176.870 -0.062 0.000 1.205 240 L CA -2.423 52.381 54.840 -0.059 0.000 0.828 240 L CB -1.382 40.605 42.059 -0.121 0.000 1.101 240 L HN 0.252 nan 8.230 nan 0.000 0.479 241 P HA 0.334 nan 4.420 nan 0.000 0.281 241 P C -0.859 176.460 177.300 0.031 0.000 1.252 241 P CA -0.279 62.820 63.100 -0.001 0.000 0.778 241 P CB 1.121 32.829 31.700 0.012 0.000 0.895 242 V N 4.021 123.968 119.914 0.055 0.000 2.347 242 V HA 0.207 4.306 4.120 -0.036 0.000 0.280 242 V C 0.755 176.909 176.094 0.100 0.000 1.021 242 V CA -0.633 61.749 62.300 0.137 0.000 0.847 242 V CB 0.995 32.898 31.823 0.132 0.000 0.990 242 V HN 0.589 nan 8.190 nan 0.000 0.444 243 N N 6.011 124.776 118.700 0.109 0.000 2.549 243 N HA 0.186 4.904 4.740 -0.036 0.000 0.267 243 N C -0.347 175.180 175.510 0.027 0.000 1.182 243 N CA -0.434 52.648 53.050 0.053 0.000 1.019 243 N CB 0.275 38.789 38.487 0.045 0.000 1.380 243 N HN 0.587 nan 8.380 nan 0.000 0.505 244 L N 2.332 123.567 121.223 0.020 0.000 2.456 244 L HA 0.097 4.415 4.340 -0.036 0.000 0.272 244 L C 0.454 177.309 176.870 -0.025 0.000 1.189 244 L CA 0.163 55.002 54.840 -0.002 0.000 0.846 244 L CB 0.743 42.800 42.059 -0.003 0.000 1.111 244 L HN 0.426 nan 8.230 nan 0.000 0.475 245 Q N 1.395 121.168 119.800 -0.045 0.000 2.399 245 Q HA 0.335 4.653 4.340 -0.036 0.000 0.276 245 Q C -1.243 174.707 176.000 -0.083 0.000 1.098 245 Q CA -1.021 54.742 55.803 -0.067 0.000 0.827 245 Q CB 2.379 31.061 28.738 -0.094 0.000 1.386 245 Q HN 0.483 nan 8.270 nan 0.000 0.443 246 D N 0.545 120.896 120.400 -0.081 0.000 2.360 246 D HA 0.045 4.663 4.640 -0.036 0.000 0.242 246 D C -0.320 175.925 176.300 -0.092 0.000 1.184 246 D CA 0.180 54.131 54.000 -0.081 0.000 0.930 246 D CB 1.041 41.800 40.800 -0.068 0.000 1.161 246 D HN 0.270 nan 8.370 nan 0.000 0.447 247 S N 0.513 116.164 115.700 -0.081 0.000 2.080 247 S HA 0.236 4.684 4.470 -0.036 0.000 0.162 247 S C -1.806 172.758 174.600 -0.060 0.000 1.618 247 S CA -1.455 56.700 58.200 -0.075 0.000 1.200 247 S CB 0.516 63.678 63.200 -0.064 0.000 1.135 247 S HN 0.165 nan 8.310 nan 0.000 0.455 248 P HA -0.068 nan 4.420 nan 0.000 0.216 248 P C 1.189 178.483 177.300 -0.010 0.000 1.150 248 P CA 0.984 64.063 63.100 -0.036 0.000 0.837 248 P CB 0.032 31.715 31.700 -0.028 0.000 0.786 249 A N -0.416 122.397 122.820 -0.012 0.000 2.239 249 A HA -0.015 4.283 4.320 -0.036 0.000 0.209 249 A C 1.743 179.334 177.584 0.012 0.000 1.171 249 A CA 1.786 53.827 52.037 0.007 0.000 0.768 249 A CB -1.241 17.756 19.000 -0.003 0.000 0.790 249 A HN 0.400 nan 8.150 nan 0.000 0.478 250 T N -5.916 108.638 114.554 0.001 0.000 3.087 250 T HA 0.498 4.826 4.350 -0.036 0.000 0.283 250 T C 1.514 176.228 174.700 0.024 0.000 0.956 250 T CA 0.835 62.942 62.100 0.011 0.000 0.894 250 T CB 0.007 68.860 68.868 -0.026 0.000 1.160 250 T HN 0.381 nan 8.240 nan 0.000 0.532 251 A N 1.836 124.643 122.820 -0.022 0.000 1.908 251 A HA -0.122 4.176 4.320 -0.036 0.000 0.218 251 A C 1.963 179.496 177.584 -0.085 0.000 1.181 251 A CA 1.997 53.974 52.037 -0.100 0.000 0.627 251 A CB -1.021 17.853 19.000 -0.209 0.000 0.818 251 A HN 0.729 nan 8.150 nan 0.000 0.445 252 H N -0.738 118.382 119.070 0.084 0.000 2.363 252 H HA 0.179 4.714 4.556 -0.036 0.000 0.301 252 H C 2.459 177.885 175.328 0.164 0.000 1.074 252 H CA 1.233 57.358 56.048 0.128 0.000 1.354 252 H CB -0.125 29.715 29.762 0.130 0.000 1.397 252 H HN 0.521 nan 8.280 nan 0.000 0.516 253 A N 1.016 124.008 122.820 0.287 0.000 1.940 253 A HA -0.221 4.077 4.320 -0.036 0.000 0.219 253 A C 1.770 179.534 177.584 0.301 0.000 1.176 253 A CA 2.000 54.245 52.037 0.347 0.000 0.631 253 A CB -0.333 18.844 19.000 0.294 0.000 0.814 253 A HN 0.386 nan 8.150 nan 0.000 0.446 254 D N 0.163 120.650 120.400 0.146 0.000 2.117 254 D HA -0.093 4.525 4.640 -0.036 0.000 0.197 254 D C 2.254 178.610 176.300 0.094 0.000 0.987 254 D CA 1.555 55.607 54.000 0.086 0.000 0.829 254 D CB -0.421 40.386 40.800 0.012 0.000 0.961 254 D HN 0.456 nan 8.370 nan 0.000 0.460 255 A N 0.856 123.735 122.820 0.099 0.000 1.902 255 A HA -0.167 4.132 4.320 -0.036 0.000 0.217 255 A C 2.073 179.683 177.584 0.044 0.000 1.181 255 A CA 0.935 53.032 52.037 0.099 0.000 0.623 255 A CB -1.004 18.081 19.000 0.142 0.000 0.818 255 A HN 0.228 nan 8.150 nan 0.000 0.443 256 F N 0.344 120.170 119.950 -0.207 0.000 2.091 256 F HA -0.213 4.292 4.527 -0.036 0.000 0.299 256 F C 1.842 177.588 175.800 -0.091 0.000 1.103 256 F CA 2.025 59.711 58.000 -0.523 0.000 1.228 256 F CB -0.356 38.385 39.000 -0.432 0.000 0.984 256 F HN 0.216 nan 8.300 nan 0.000 0.477 257 L N 1.006 122.251 121.223 0.037 0.000 2.027 257 L HA -0.191 4.127 4.340 -0.036 0.000 0.206 257 L C 2.259 179.057 176.870 -0.119 0.000 1.074 257 L CA 2.021 56.856 54.840 -0.009 0.000 0.745 257 L CB -1.459 40.740 42.059 0.234 0.000 0.898 257 L HN 0.326 nan 8.230 nan 0.000 0.433 258 N N -1.090 117.589 118.700 -0.036 0.000 2.069 258 N HA -0.297 4.422 4.740 -0.036 0.000 0.191 258 N C 1.959 177.437 175.510 -0.053 0.000 1.031 258 N CA 1.893 54.923 53.050 -0.032 0.000 0.852 258 N CB -0.417 38.080 38.487 0.016 0.000 1.018 258 N HN 0.604 nan 8.380 nan 0.000 0.423 259 W N 1.882 123.057 121.300 -0.208 0.000 2.338 259 W HA -0.175 4.464 4.660 -0.035 0.000 0.304 259 W C 2.213 178.563 176.519 -0.282 0.000 1.212 259 W CA 0.957 58.194 57.345 -0.180 0.000 1.264 259 W CB -0.646 28.746 29.460 -0.114 0.000 1.142 259 W HN 0.115 nan 8.180 nan 0.000 0.512 260 L N 1.737 122.575 121.223 -0.642 0.000 2.083 260 L HA -0.142 4.176 4.340 -0.036 0.000 0.209 260 L C 2.380 178.827 176.870 -0.705 0.000 1.083 260 L CA 2.152 56.409 54.840 -0.970 0.000 0.752 260 L CB -0.855 40.669 42.059 -0.892 0.000 0.899 260 L HN -0.071 nan 8.230 nan 0.000 0.433 261 K N -0.375 119.744 120.400 -0.468 0.000 2.026 261 K HA -0.177 4.121 4.320 -0.036 0.000 0.208 261 K C 2.218 178.634 176.600 -0.307 0.000 1.048 261 K CA 1.733 57.816 56.287 -0.340 0.000 0.929 261 K CB -0.412 31.966 32.500 -0.202 0.000 0.713 261 K HN 0.574 nan 8.250 nan 0.000 0.439 262 E N 1.192 121.212 120.200 -0.300 0.000 2.051 262 E HA -0.133 4.196 4.350 -0.036 0.000 0.192 262 E C 1.996 178.413 176.600 -0.304 0.000 0.991 262 E CA 1.432 57.689 56.400 -0.238 0.000 0.799 262 E CB -0.826 28.773 29.700 -0.167 0.000 0.748 262 E HN 0.433 nan 8.360 nan 0.000 0.449 263 A N 0.269 122.771 122.820 -0.529 0.000 1.933 263 A HA 0.054 4.352 4.320 -0.036 0.000 0.218 263 A C 2.528 179.900 177.584 -0.353 0.000 1.175 263 A CA 1.514 53.242 52.037 -0.515 0.000 0.628 263 A CB -0.391 18.052 19.000 -0.928 0.000 0.814 263 A HN 0.455 nan 8.150 nan 0.000 0.444 264 L N -0.837 120.158 121.223 -0.381 0.000 2.056 264 L HA -0.151 4.167 4.340 -0.036 0.000 0.207 264 L C 3.011 179.826 176.870 -0.092 0.000 1.078 264 L CA 0.991 55.699 54.840 -0.219 0.000 0.749 264 L CB -0.502 41.340 42.059 -0.363 0.000 0.901 264 L HN 0.405 nan 8.230 nan 0.000 0.433 265 A N -0.418 122.328 122.820 -0.124 0.000 2.070 265 A HA -0.150 4.148 4.320 -0.036 0.000 0.220 265 A C 1.840 179.395 177.584 -0.048 0.000 1.159 265 A CA 1.916 53.919 52.037 -0.058 0.000 0.656 265 A CB -0.717 18.240 19.000 -0.071 0.000 0.800 265 A HN 0.497 nan 8.150 nan 0.000 0.453 266 T N -4.110 110.400 114.554 -0.073 0.000 3.331 266 T HA 0.330 4.658 4.350 -0.036 0.000 0.282 266 T C 0.067 174.739 174.700 -0.047 0.000 1.010 266 T CA 0.009 62.078 62.100 -0.052 0.000 0.928 266 T CB -0.933 67.902 68.868 -0.055 0.000 1.154 266 T HN 0.426 nan 8.240 nan 0.000 0.516 267 N N 1.910 120.585 118.700 -0.041 0.000 2.701 267 N HA -0.180 4.538 4.740 -0.036 0.000 0.250 267 N C 0.821 176.310 175.510 -0.035 0.000 1.046 267 N CA 0.723 53.756 53.050 -0.028 0.000 0.733 267 N CB -0.751 37.727 38.487 -0.014 0.000 0.973 267 N HN 0.457 nan 8.380 nan 0.000 0.541 268 Q N -0.485 119.276 119.800 -0.065 0.000 2.403 268 Q HA 0.243 4.562 4.340 -0.036 0.000 0.203 268 Q C 0.242 176.222 176.000 -0.033 0.000 0.932 268 Q CA 0.635 56.410 55.803 -0.046 0.000 0.945 268 Q CB 0.657 29.356 28.738 -0.065 0.000 1.045 268 Q HN 0.606 nan 8.270 nan 0.000 0.511 269 I N 0.837 121.376 120.570 -0.052 0.000 2.499 269 I HA 0.230 4.378 4.170 -0.036 0.000 0.288 269 I C 0.126 176.236 176.117 -0.012 0.000 1.048 269 I CA -0.759 60.522 61.300 -0.031 0.000 1.062 269 I CB 1.759 39.702 38.000 -0.096 0.000 1.238 269 I HN -0.233 nan 8.210 nan 0.000 0.426 270 K N 5.607 126.009 120.400 0.004 0.000 2.447 270 K HA 0.428 4.727 4.320 -0.036 0.000 0.281 270 K C -0.531 176.049 176.600 -0.032 0.000 1.031 270 K CA -0.048 56.234 56.287 -0.009 0.000 1.019 270 K CB 0.585 33.086 32.500 0.001 0.000 0.918 270 K HN 0.562 nan 8.250 nan 0.000 0.476 271 V N 0.167 120.053 119.914 -0.047 0.000 2.656 271 V HA 0.672 4.771 4.120 -0.036 0.000 0.307 271 V C 0.094 176.096 176.094 -0.154 0.000 1.051 271 V CA -0.374 61.872 62.300 -0.090 0.000 0.893 271 V CB 1.527 33.367 31.823 0.030 0.000 0.999 271 V HN 1.045 nan 8.190 nan 0.000 0.426 272 N N 1.053 119.546 118.700 -0.345 0.000 2.980 272 N HA -0.161 4.557 4.740 -0.036 0.000 0.219 272 N C 0.543 175.968 175.510 -0.142 0.000 0.883 272 N CA 1.852 54.753 53.050 -0.248 0.000 1.018 272 N CB -1.717 36.731 38.487 -0.064 0.000 1.041 272 N HN 1.372 nan 8.380 nan 0.000 0.592 273 T N -4.517 109.950 114.554 -0.144 0.000 2.810 273 T HA 0.690 5.019 4.350 -0.036 0.000 0.277 273 T C 1.723 176.460 174.700 0.061 0.000 0.973 273 T CA 0.398 62.486 62.100 -0.020 0.000 0.949 273 T CB 1.006 69.866 68.868 -0.013 0.000 1.075 273 T HN 0.219 nan 8.240 nan 0.000 0.537 274 S N 0.047 115.798 115.700 0.084 0.000 2.356 274 S HA 0.013 4.461 4.470 -0.036 0.000 0.223 274 S C 2.138 176.806 174.600 0.114 0.000 1.032 274 S CA 2.005 60.273 58.200 0.114 0.000 1.005 274 S CB -1.817 61.424 63.200 0.068 0.000 0.867 274 S HN 1.004 nan 8.310 nan 0.000 0.449 275 D N 0.875 121.318 120.400 0.071 0.000 2.144 275 D HA 0.446 5.064 4.640 -0.036 0.000 0.199 275 D C 1.210 177.561 176.300 0.085 0.000 0.984 275 D CA 1.256 55.296 54.000 0.066 0.000 0.834 275 D CB -0.775 40.052 40.800 0.044 0.000 0.955 275 D HN 0.918 nan 8.370 nan 0.000 0.465 276 A N -0.763 122.095 122.820 0.064 0.000 2.386 276 A HA 0.561 4.859 4.320 -0.036 0.000 0.248 276 A C 1.719 179.390 177.584 0.145 0.000 1.082 276 A CA 0.371 52.437 52.037 0.048 0.000 0.789 276 A CB 0.916 19.878 19.000 -0.063 0.000 1.025 276 A HN 0.619 nan 8.150 nan 0.000 0.490 277 G N 0.170 109.060 108.800 0.150 0.000 3.284 277 G HA2 0.431 4.369 3.960 -0.036 0.000 0.236 277 G HA3 0.431 4.369 3.960 -0.036 0.000 0.236 277 G C -0.195 174.842 174.900 0.229 0.000 1.158 277 G CA 0.242 45.472 45.100 0.217 0.000 0.774 277 G HN 0.610 nan 8.290 nan 0.000 0.545 278 V N 1.204 121.219 119.914 0.169 0.000 2.531 278 V HA 0.457 4.555 4.120 -0.036 0.000 0.301 278 V C -0.973 175.185 176.094 0.106 0.000 1.034 278 V CA -0.996 61.407 62.300 0.171 0.000 0.865 278 V CB 1.578 33.442 31.823 0.068 0.000 0.995 278 V HN 0.290 nan 8.190 nan 0.000 0.424 279 H N 2.622 121.846 119.070 0.257 0.000 2.679 279 H HA 0.543 5.077 4.556 -0.037 0.000 0.360 279 H C -1.239 174.206 175.328 0.195 0.000 1.105 279 H CA -0.606 55.565 56.048 0.205 0.000 1.196 279 H CB 2.738 32.612 29.762 0.186 0.000 1.636 279 H HN 0.411 nan 8.280 nan 0.000 0.531 280 V N 5.615 125.652 119.914 0.205 0.000 2.370 280 V HA 0.258 4.356 4.120 -0.036 0.000 0.279 280 V C 0.557 176.714 176.094 0.104 0.000 1.029 280 V CA -0.424 61.959 62.300 0.138 0.000 0.870 280 V CB 0.606 32.444 31.823 0.026 0.000 0.984 280 V HN 0.495 nan 8.190 nan 0.000 0.451 281 I N 2.782 123.411 120.570 0.098 0.000 3.067 281 I HA 0.604 4.752 4.170 -0.036 0.000 0.312 281 I C -2.015 174.123 176.117 0.036 0.000 1.073 281 I CA -2.595 58.738 61.300 0.055 0.000 1.016 281 I CB 1.596 39.619 38.000 0.038 0.000 1.227 281 I HN 0.227 nan 8.210 nan 0.000 0.456 282 P HA -0.140 nan 4.420 nan 0.000 0.218 282 P C 0.692 178.003 177.300 0.019 0.000 1.146 282 P CA 1.405 64.512 63.100 0.011 0.000 0.813 282 P CB 0.078 31.782 31.700 0.007 0.000 0.778 283 E N -1.163 119.055 120.200 0.029 0.000 2.502 283 E HA 0.311 4.639 4.350 -0.036 0.000 0.194 283 E C 1.138 177.770 176.600 0.054 0.000 1.062 283 E CA 0.458 56.878 56.400 0.034 0.000 0.867 283 E CB -0.248 29.471 29.700 0.031 0.000 0.888 283 E HN 0.207 nan 8.360 nan 0.000 0.510 284 G N -0.746 108.096 108.800 0.071 0.000 2.315 284 G HA2 -0.105 3.833 3.960 -0.036 0.000 0.296 284 G HA3 -0.105 3.833 3.960 -0.036 0.000 0.296 284 G C -1.532 173.462 174.900 0.156 0.000 1.289 284 G CA -0.518 44.643 45.100 0.103 0.000 0.996 284 G HN 0.131 nan 8.290 nan 0.000 0.487 285 V N 0.634 120.664 119.914 0.193 0.000 2.407 285 V HA 0.709 4.807 4.120 -0.036 0.000 0.278 285 V C -0.462 175.792 176.094 0.268 0.000 1.037 285 V CA -0.737 61.712 62.300 0.248 0.000 0.900 285 V CB 0.797 32.783 31.823 0.272 0.000 0.983 285 V HN 1.156 nan 8.190 nan 0.000 0.459 286 F N 7.468 127.507 119.950 0.150 0.000 2.410 286 F HA 0.637 5.141 4.527 -0.037 0.000 0.349 286 F C -0.519 175.386 175.800 0.175 0.000 1.117 286 F CA -0.767 57.321 58.000 0.146 0.000 1.104 286 F CB 1.139 40.214 39.000 0.125 0.000 1.122 286 F HN 0.390 nan 8.300 nan 0.000 0.483 287 L N 6.276 127.223 121.223 -0.459 0.000 2.318 287 L HA 0.349 4.667 4.340 -0.036 0.000 0.277 287 L C -0.264 176.332 176.870 -0.457 0.000 1.008 287 L CA -0.599 54.072 54.840 -0.281 0.000 0.846 287 L CB 1.470 43.485 42.059 -0.073 0.000 1.220 287 L HN 0.604 nan 8.230 nan 0.000 0.423 288 E N 3.455 123.467 120.200 -0.312 0.000 2.290 288 E HA 0.029 4.357 4.350 -0.036 0.000 0.277 288 E C 0.707 177.356 176.600 0.082 0.000 1.035 288 E CA -0.157 56.145 56.400 -0.163 0.000 0.873 288 E CB 1.371 31.154 29.700 0.139 0.000 1.029 288 E HN 0.507 nan 8.360 nan 0.000 0.419 289 K N 2.252 122.606 120.400 -0.077 0.000 1.987 289 K HA -0.171 4.128 4.320 -0.036 0.000 0.216 289 K C 1.459 177.993 176.600 -0.109 0.000 1.051 289 K CA 2.141 58.232 56.287 -0.327 0.000 0.942 289 K CB -0.247 31.741 32.500 -0.853 0.000 0.722 289 K HN 0.603 nan 8.250 nan 0.000 0.444 290 T N -2.252 112.245 114.554 -0.094 0.000 3.434 290 T HA 0.235 4.564 4.350 -0.036 0.000 0.249 290 T C 0.815 175.546 174.700 0.053 0.000 1.050 290 T CA -0.032 62.052 62.100 -0.026 0.000 0.952 290 T CB 0.456 69.300 68.868 -0.040 0.000 1.046 290 T HN 0.375 nan 8.240 nan 0.000 0.590 291 G N 1.326 110.188 108.800 0.104 0.000 2.694 291 G HA2 0.339 4.277 3.960 -0.036 0.000 0.212 291 G HA3 0.339 4.277 3.960 -0.036 0.000 0.212 291 G C 0.768 175.769 174.900 0.169 0.000 2.030 291 G CA -0.092 45.090 45.100 0.137 0.000 0.731 291 G HN 0.305 nan 8.290 nan 0.000 0.795 292 I N 0.422 121.097 120.570 0.175 0.000 2.361 292 I HA 0.026 4.175 4.170 -0.036 0.000 0.251 292 I C 2.334 178.582 176.117 0.219 0.000 1.133 292 I CA 1.148 62.562 61.300 0.190 0.000 1.413 292 I CB -0.278 37.783 38.000 0.102 0.000 1.073 292 I HN 0.231 nan 8.210 nan 0.000 0.424 293 F N 0.630 120.642 119.950 0.103 0.000 2.163 293 F HA -0.120 4.385 4.527 -0.037 0.000 0.297 293 F C 2.526 178.360 175.800 0.057 0.000 1.094 293 F CA 1.720 59.690 58.000 -0.049 0.000 1.290 293 F CB -0.683 38.144 39.000 -0.288 0.000 1.017 293 F HN -0.036 nan 8.300 nan 0.000 0.483 294 K N 0.615 121.140 120.400 0.208 0.000 2.057 294 K HA -0.254 4.044 4.320 -0.036 0.000 0.206 294 K C 2.210 178.874 176.600 0.107 0.000 1.050 294 K CA 1.476 57.834 56.287 0.120 0.000 0.935 294 K CB -0.260 32.286 32.500 0.077 0.000 0.715 294 K HN 0.306 nan 8.250 nan 0.000 0.439 295 Q N -0.340 119.546 119.800 0.143 0.000 2.112 295 Q HA -0.269 4.050 4.340 -0.036 0.000 0.206 295 Q C 2.010 178.046 176.000 0.060 0.000 0.987 295 Q CA 1.961 57.846 55.803 0.138 0.000 0.858 295 Q CB -0.352 28.523 28.738 0.229 0.000 0.905 295 Q HN 0.495 nan 8.270 nan 0.000 0.420 296 Y N 0.580 120.789 120.300 -0.151 0.000 2.145 296 Y HA -0.251 4.278 4.550 -0.035 0.000 0.286 296 Y C 1.885 177.647 175.900 -0.230 0.000 1.145 296 Y CA 1.520 59.301 58.100 -0.530 0.000 1.148 296 Y CB -0.275 37.868 38.460 -0.528 0.000 0.981 296 Y HN 0.159 nan 8.280 nan 0.000 0.507 297 I N 0.993 121.468 120.570 -0.159 0.000 2.118 297 I HA -0.333 3.815 4.170 -0.036 0.000 0.241 297 I C 1.859 177.881 176.117 -0.158 0.000 1.070 297 I CA 1.863 63.051 61.300 -0.187 0.000 1.327 297 I CB -1.381 36.605 38.000 -0.022 0.000 1.034 297 I HN 0.317 nan 8.210 nan 0.000 0.405 298 D N 0.548 120.901 120.400 -0.077 0.000 2.269 298 D HA -0.038 4.580 4.640 -0.036 0.000 0.208 298 D C 2.321 178.578 176.300 -0.071 0.000 0.963 298 D CA 1.107 55.077 54.000 -0.051 0.000 0.864 298 D CB -0.156 40.640 40.800 -0.007 0.000 0.936 298 D HN 0.358 nan 8.370 nan 0.000 0.505 299 L N -0.134 121.031 121.223 -0.095 0.000 2.179 299 L HA 0.014 4.332 4.340 -0.036 0.000 0.208 299 L C 1.138 177.830 176.870 -0.296 0.000 1.096 299 L CA 1.524 56.281 54.840 -0.139 0.000 0.779 299 L CB -1.366 40.643 42.059 -0.084 0.000 0.922 299 L HN 0.080 nan 8.230 nan 0.000 0.443 300 H N -0.669 118.189 119.070 -0.354 0.000 2.482 300 H HA 0.610 5.144 4.556 -0.036 0.000 0.231 300 H C 1.307 176.499 175.328 -0.227 0.000 1.612 300 H CA 0.295 56.142 56.048 -0.334 0.000 1.279 300 H CB 0.582 30.000 29.762 -0.573 0.000 1.562 300 H HN 0.213 nan 8.280 nan 0.000 0.553 301 V N 0.899 120.755 119.914 -0.096 0.000 3.026 301 V HA -0.257 3.842 4.120 -0.036 0.000 0.265 301 V C 1.624 177.694 176.094 -0.039 0.000 1.121 301 V CA 2.383 64.646 62.300 -0.063 0.000 1.142 301 V CB -1.060 30.728 31.823 -0.057 0.000 0.730 301 V HN 0.752 nan 8.190 nan 0.000 0.503 302 N N -0.891 117.792 118.700 -0.029 0.000 2.205 302 N HA 0.404 5.122 4.740 -0.036 0.000 0.201 302 N C 0.448 175.967 175.510 0.014 0.000 1.128 302 N CA 0.775 53.821 53.050 -0.007 0.000 0.867 302 N CB 0.691 39.175 38.487 -0.005 0.000 0.996 302 N HN 0.354 nan 8.380 nan 0.000 0.503 303 V N 2.576 122.498 119.914 0.013 0.000 2.383 303 V HA 0.354 4.452 4.120 -0.036 0.000 0.275 303 V C -1.935 174.178 176.094 0.031 0.000 1.036 303 V CA -1.398 60.925 62.300 0.039 0.000 0.889 303 V CB 1.451 33.297 31.823 0.038 0.000 0.985 303 V HN 0.333 nan 8.190 nan 0.000 0.459 304 P HA 0.277 nan 4.420 nan 0.000 0.230 304 P C -0.742 176.549 177.300 -0.015 0.000 1.791 304 P CA 0.203 63.324 63.100 0.034 0.000 1.020 304 P CB 0.667 32.402 31.700 0.058 0.000 1.977 305 V N 2.707 122.585 119.914 -0.061 0.000 2.932 305 V HA 0.333 4.431 4.120 -0.036 0.000 0.307 305 V C -1.029 175.030 176.094 -0.058 0.000 1.147 305 V CA -0.850 61.361 62.300 -0.149 0.000 0.951 305 V CB 2.702 34.300 31.823 -0.375 0.000 1.031 305 V HN 0.313 nan 8.190 nan 0.000 0.426 306 N N 4.387 123.073 118.700 -0.023 0.000 2.495 306 N HA 0.312 5.031 4.740 -0.036 0.000 0.280 306 N C 0.693 176.237 175.510 0.056 0.000 1.168 306 N CA -0.693 52.375 53.050 0.029 0.000 0.978 306 N CB 0.877 39.397 38.487 0.055 0.000 1.191 306 N HN 0.491 nan 8.380 nan 0.000 0.497 307 L N 0.428 121.687 121.223 0.058 0.000 2.034 307 L HA -0.171 4.148 4.340 -0.036 0.000 0.217 307 L C 1.801 178.704 176.870 0.054 0.000 1.077 307 L CA 1.746 56.615 54.840 0.049 0.000 0.769 307 L CB -1.022 41.047 42.059 0.017 0.000 0.890 307 L HN 0.732 nan 8.230 nan 0.000 0.435 308 F N -0.154 119.774 119.950 -0.037 0.000 2.091 308 F HA -0.291 4.214 4.527 -0.035 0.000 0.299 308 F C 2.248 178.057 175.800 0.015 0.000 1.103 308 F CA 2.511 60.502 58.000 -0.016 0.000 1.228 308 F CB -0.803 38.184 39.000 -0.022 0.000 0.984 308 F HN 0.115 nan 8.300 nan 0.000 0.477 309 T N -0.109 114.462 114.554 0.028 0.000 2.857 309 T HA -0.153 4.176 4.350 -0.036 0.000 0.266 309 T C 2.133 176.768 174.700 -0.108 0.000 1.048 309 T CA 1.302 63.338 62.100 -0.108 0.000 1.139 309 T CB -0.585 68.287 68.868 0.006 0.000 0.874 309 T HN 0.262 nan 8.240 nan 0.000 0.455 310 V N 0.386 120.282 119.914 -0.031 0.000 2.358 310 V HA -0.146 3.952 4.120 -0.036 0.000 0.246 310 V C 2.032 178.119 176.094 -0.011 0.000 1.047 310 V CA 1.552 63.882 62.300 0.050 0.000 1.035 310 V CB -0.547 31.354 31.823 0.131 0.000 0.658 310 V HN 0.574 nan 8.190 nan 0.000 0.452 311 Y N 0.939 121.053 120.300 -0.310 0.000 2.200 311 Y HA -0.203 4.326 4.550 -0.036 0.000 0.290 311 Y C 2.612 178.337 175.900 -0.293 0.000 1.137 311 Y CA 2.394 60.176 58.100 -0.529 0.000 1.163 311 Y CB -0.361 37.721 38.460 -0.629 0.000 0.988 311 Y HN 0.500 nan 8.280 nan 0.000 0.518 312 Q N 0.011 119.632 119.800 -0.300 0.000 2.084 312 Q HA -0.231 4.087 4.340 -0.036 0.000 0.202 312 Q C 2.103 178.001 176.000 -0.169 0.000 0.978 312 Q CA 2.173 57.780 55.803 -0.326 0.000 0.844 312 Q CB -0.262 28.143 28.738 -0.555 0.000 0.898 312 Q HN 0.563 nan 8.270 nan 0.000 0.426 313 Q N -0.940 118.807 119.800 -0.088 0.000 2.167 313 Q HA -0.128 4.190 4.340 -0.036 0.000 0.202 313 Q C 1.796 177.827 176.000 0.051 0.000 0.970 313 Q CA 1.077 56.885 55.803 0.008 0.000 0.855 313 Q CB -0.099 28.692 28.738 0.089 0.000 0.911 313 Q HN 0.413 nan 8.270 nan 0.000 0.438 314 F N 0.869 120.770 119.950 -0.081 0.000 2.134 314 F HA -0.126 4.379 4.527 -0.036 0.000 0.299 314 F C 2.143 177.904 175.800 -0.065 0.000 1.097 314 F CA 1.635 59.636 58.000 0.002 0.000 1.264 314 F CB -0.553 38.441 39.000 -0.011 0.000 1.001 314 F HN 0.050 nan 8.300 nan 0.000 0.479 315 G N 0.139 108.892 108.800 -0.079 0.000 2.476 315 G HA2 -0.360 3.579 3.960 -0.036 0.000 0.218 315 G HA3 -0.360 3.579 3.960 -0.036 0.000 0.218 315 G C 1.553 176.365 174.900 -0.147 0.000 1.164 315 G CA 1.217 46.216 45.100 -0.169 0.000 0.768 315 G HN 0.330 nan 8.290 nan 0.000 0.560 316 N N 0.252 118.894 118.700 -0.098 0.000 2.104 316 N HA -0.091 4.627 4.740 -0.036 0.000 0.190 316 N C 1.996 177.444 175.510 -0.103 0.000 1.024 316 N CA 1.019 54.026 53.050 -0.070 0.000 0.853 316 N CB -0.538 37.927 38.487 -0.037 0.000 1.008 316 N HN 0.311 nan 8.380 nan 0.000 0.424 317 L N -0.401 120.713 121.223 -0.180 0.000 2.027 317 L HA 0.048 4.366 4.340 -0.036 0.000 0.206 317 L C 0.972 177.518 176.870 -0.540 0.000 1.074 317 L CA 1.603 56.254 54.840 -0.315 0.000 0.745 317 L CB -0.513 41.290 42.059 -0.427 0.000 0.898 317 L HN -0.001 nan 8.230 nan 0.000 0.433 318 F N 0.301 119.933 119.950 -0.530 0.000 2.639 318 F HA 0.416 4.920 4.527 -0.038 0.000 0.300 318 F C 1.606 176.742 175.800 -1.107 0.000 1.109 318 F CA 0.165 57.641 58.000 -0.872 0.000 1.335 318 F CB -0.417 38.058 39.000 -0.875 0.000 1.014 318 F HN 0.185 nan 8.300 nan 0.000 0.537 319 G N 0.900 109.224 108.800 -0.794 0.000 2.305 319 G HA2 -0.282 3.656 3.960 -0.036 0.000 0.287 319 G HA3 -0.282 3.656 3.960 -0.036 0.000 0.287 319 G C 1.118 175.760 174.900 -0.430 0.000 1.036 319 G CA 0.241 44.902 45.100 -0.731 0.000 0.887 319 G HN 0.325 nan 8.290 nan 0.000 0.505 320 L N 0.366 121.374 121.223 -0.359 0.000 2.265 320 L HA -0.067 4.251 4.340 -0.036 0.000 0.215 320 L C 2.895 179.639 176.870 -0.209 0.000 1.117 320 L CA 2.628 57.205 54.840 -0.438 0.000 0.782 320 L CB -1.275 40.278 42.059 -0.843 0.000 0.914 320 L HN 0.740 nan 8.230 nan 0.000 0.441 321 T N -4.263 110.252 114.554 -0.065 0.000 3.086 321 T HA 0.064 4.392 4.350 -0.036 0.000 0.250 321 T C 0.784 175.501 174.700 0.028 0.000 1.074 321 T CA -0.233 61.893 62.100 0.044 0.000 0.988 321 T CB 0.254 69.165 68.868 0.072 0.000 0.988 321 T HN -0.067 nan 8.240 nan 0.000 0.530 322 K N 1.621 122.018 120.400 -0.004 0.000 2.213 322 K HA 0.443 4.741 4.320 -0.036 0.000 0.270 322 K C 0.824 177.447 176.600 0.037 0.000 1.002 322 K CA -0.521 55.797 56.287 0.050 0.000 0.868 322 K CB 1.998 34.585 32.500 0.146 0.000 1.093 322 K HN 0.159 nan 8.250 nan 0.000 0.454 323 L N 1.096 122.350 121.223 0.051 0.000 2.265 323 L HA -0.201 4.118 4.340 -0.036 0.000 0.215 323 L C 2.042 178.944 176.870 0.054 0.000 1.117 323 L CA 1.167 56.031 54.840 0.040 0.000 0.782 323 L CB -0.447 41.636 42.059 0.039 0.000 0.914 323 L HN 0.616 nan 8.230 nan 0.000 0.441 324 S N -0.366 115.397 115.700 0.104 0.000 2.447 324 S HA -0.051 4.397 4.470 -0.036 0.000 0.233 324 S C 1.569 176.283 174.600 0.190 0.000 1.006 324 S CA 0.552 58.839 58.200 0.144 0.000 0.957 324 S CB -0.640 62.662 63.200 0.170 0.000 0.773 324 S HN 0.390 nan 8.310 nan 0.000 0.507 325 G N 2.285 111.166 108.800 0.135 0.000 3.541 325 G HA2 0.444 4.382 3.960 -0.036 0.000 0.253 325 G HA3 0.444 4.382 3.960 -0.036 0.000 0.253 325 G C 0.771 175.599 174.900 -0.121 0.000 1.017 325 G CA -0.319 44.756 45.100 -0.042 0.000 1.832 325 G HN 0.688 nan 8.290 nan 0.000 0.649 326 I N -3.042 117.471 120.570 -0.095 0.000 2.567 326 I HA -0.030 4.119 4.170 -0.036 0.000 0.257 326 I C 1.006 176.971 176.117 -0.253 0.000 1.184 326 I CA 0.874 62.097 61.300 -0.127 0.000 1.451 326 I CB 0.120 38.078 38.000 -0.069 0.000 1.089 326 I HN -0.050 nan 8.210 nan 0.000 0.441 327 D N 0.333 120.423 120.400 -0.518 0.000 2.355 327 D HA 0.038 4.657 4.640 -0.036 0.000 0.218 327 D C -0.430 175.346 176.300 -0.874 0.000 1.004 327 D CA 0.854 54.396 54.000 -0.764 0.000 0.880 327 D CB 0.020 40.207 40.800 -1.022 0.000 0.911 327 D HN 0.518 nan 8.370 nan 0.000 0.528 328 Y N 0.337 120.569 120.300 -0.113 0.000 2.329 328 Y HA 0.413 4.941 4.550 -0.037 0.000 0.328 328 Y C 0.416 176.177 175.900 -0.232 0.000 0.992 328 Y CA -1.231 56.756 58.100 -0.188 0.000 1.151 328 Y CB 1.454 39.770 38.460 -0.241 0.000 1.150 328 Y HN -0.274 nan 8.280 nan 0.000 0.450 329 R N 1.152 121.597 120.500 -0.091 0.000 2.739 329 R HA 0.593 4.911 4.340 -0.036 0.000 0.271 329 R C -1.841 174.393 176.300 -0.109 0.000 1.010 329 R CA -0.972 55.043 56.100 -0.143 0.000 0.897 329 R CB 1.442 31.720 30.300 -0.036 0.000 1.236 329 R HN 0.438 nan 8.270 nan 0.000 0.466 330 F N 1.564 121.549 119.950 0.059 0.000 2.543 330 F HA 0.197 4.703 4.527 -0.035 0.000 0.375 330 F C 0.875 176.743 175.800 0.114 0.000 1.075 330 F CA 0.467 58.519 58.000 0.087 0.000 1.225 330 F CB 0.740 39.780 39.000 0.066 0.000 1.099 330 F HN 0.329 nan 8.300 nan 0.000 0.561 331 E N 2.027 122.455 120.200 0.380 0.000 2.410 331 E HA 0.304 4.633 4.350 -0.036 0.000 0.269 331 E C -1.221 175.523 176.600 0.239 0.000 0.937 331 E CA -0.915 55.653 56.400 0.279 0.000 0.793 331 E CB 2.400 32.260 29.700 0.266 0.000 1.314 331 E HN 0.640 nan 8.360 nan 0.000 0.447 332 Q N 1.111 120.923 119.800 0.019 0.000 2.305 332 Q HA 0.626 4.944 4.340 -0.036 0.000 0.271 332 Q C -1.351 174.315 176.000 -0.557 0.000 1.046 332 Q CA -0.659 55.013 55.803 -0.218 0.000 0.798 332 Q CB 1.427 30.035 28.738 -0.216 0.000 1.286 332 Q HN 0.340 nan 8.270 nan 0.000 0.435 333 L N 2.577 123.322 121.223 -0.797 0.000 2.303 333 L HA 0.702 5.020 4.340 -0.036 0.000 0.266 333 L C -0.838 175.458 176.870 -0.956 0.000 1.011 333 L CA -0.980 53.380 54.840 -0.800 0.000 0.818 333 L CB 1.302 42.864 42.059 -0.828 0.000 1.326 333 L HN 0.678 nan 8.230 nan 0.000 0.435 340 A N 0.430 123.258 122.820 0.012 0.000 1.872 340 A HA 0.308 4.606 4.320 -0.036 0.000 0.214 340 A C 2.379 179.959 177.584 -0.006 0.000 1.187 340 A CA 1.776 53.817 52.037 0.007 0.000 0.614 340 A CB -0.658 18.349 19.000 0.012 0.000 0.826 340 A HN 0.604 nan 8.150 nan 0.000 0.442 341 L N -0.574 120.648 121.223 -0.002 0.000 2.056 341 L HA -0.178 4.141 4.340 -0.036 0.000 0.207 341 L C 2.486 179.347 176.870 -0.016 0.000 1.078 341 L CA 1.578 56.411 54.840 -0.011 0.000 0.749 341 L CB -0.568 41.490 42.059 -0.000 0.000 0.901 341 L HN 0.347 nan 8.230 nan 0.000 0.433 342 K N -0.038 120.357 120.400 -0.007 0.000 2.097 342 K HA -0.186 4.112 4.320 -0.036 0.000 0.206 342 K C 2.255 178.848 176.600 -0.013 0.000 1.049 342 K CA 1.012 57.294 56.287 -0.007 0.000 0.933 342 K CB -0.174 32.325 32.500 -0.001 0.000 0.717 342 K HN 0.203 nan 8.250 nan 0.000 0.442 343 R N 1.857 122.348 120.500 -0.014 0.000 2.083 343 R HA -0.148 4.171 4.340 -0.036 0.000 0.237 343 R C 1.816 178.093 176.300 -0.038 0.000 1.137 343 R CA 1.721 57.810 56.100 -0.018 0.000 0.951 343 R CB 0.032 30.325 30.300 -0.012 0.000 0.851 343 R HN 0.039 nan 8.270 nan 0.000 0.434 344 K N -0.420 119.945 120.400 -0.058 0.000 2.283 344 K HA -0.016 4.282 4.320 -0.036 0.000 0.202 344 K C 1.985 178.525 176.600 -0.100 0.000 1.048 344 K CA 1.283 57.504 56.287 -0.110 0.000 0.948 344 K CB 0.146 32.558 32.500 -0.146 0.000 0.742 344 K HN 0.081 nan 8.250 nan 0.000 0.458 345 S N 0.453 116.122 115.700 -0.052 0.000 2.414 345 S HA 0.002 4.451 4.470 -0.036 0.000 0.227 345 S C 1.522 176.114 174.600 -0.012 0.000 1.022 345 S CA 0.872 59.056 58.200 -0.027 0.000 0.958 345 S CB 0.147 63.341 63.200 -0.010 0.000 0.797 345 S HN 0.172 nan 8.310 nan 0.000 0.493 346 K N 0.912 121.304 120.400 -0.013 0.000 2.166 346 K HA 0.294 4.592 4.320 -0.036 0.000 0.201 346 K C 1.587 178.185 176.600 -0.002 0.000 1.052 346 K CA 0.748 57.033 56.287 -0.003 0.000 0.969 346 K CB -0.221 32.278 32.500 -0.001 0.000 0.761 346 K HN 0.375 nan 8.250 nan 0.000 0.459 347 M N -0.462 119.128 119.600 -0.016 0.000 2.414 347 M HA 0.121 4.580 4.480 -0.036 0.000 0.251 347 M C 1.139 177.426 176.300 -0.022 0.000 1.116 347 M CA 0.114 55.407 55.300 -0.012 0.000 1.056 347 M CB 0.845 33.436 32.600 -0.016 0.000 1.388 347 M HN 0.084 nan 8.290 nan 0.000 0.487 348 G N -0.211 108.553 108.800 -0.061 0.000 3.286 348 G HA2 0.390 4.328 3.960 -0.036 0.000 0.166 348 G HA3 0.390 4.328 3.960 -0.036 0.000 0.166 348 G C -0.238 174.647 174.900 -0.025 0.000 1.155 348 G CA -0.456 44.574 45.100 -0.118 0.000 0.871 348 G HN 0.376 nan 8.290 nan 0.000 0.637 349 F N -1.103 118.853 119.950 0.010 0.000 2.729 349 F HA 0.629 5.134 4.527 -0.036 0.000 0.315 349 F C 1.914 177.719 175.800 0.008 0.000 1.102 349 F CA 0.224 58.229 58.000 0.008 0.000 1.204 349 F CB 0.291 39.295 39.000 0.007 0.000 1.052 349 F HN 0.350 nan 8.300 nan 0.000 0.551 350 A N 1.540 124.303 122.820 -0.095 0.000 2.032 350 A HA -0.011 4.288 4.320 -0.036 0.000 0.221 350 A C 2.422 180.036 177.584 0.049 0.000 1.165 350 A CA 1.818 53.843 52.037 -0.020 0.000 0.645 350 A CB -1.536 17.411 19.000 -0.088 0.000 0.807 350 A HN 0.564 nan 8.150 nan 0.000 0.453 351 G N -0.315 108.514 108.800 0.049 0.000 2.450 351 G HA2 -0.050 3.888 3.960 -0.036 0.000 0.220 351 G HA3 -0.050 3.888 3.960 -0.036 0.000 0.220 351 G C 0.884 175.823 174.900 0.065 0.000 1.130 351 G CA 0.731 45.861 45.100 0.050 0.000 0.760 351 G HN 0.471 nan 8.290 nan 0.000 0.557 360 P HA 0.223 nan 4.420 nan 0.000 0.220 360 P C 1.006 178.335 177.300 0.048 0.000 1.154 360 P CA 1.421 64.574 63.100 0.089 0.000 0.830 360 P CB -0.602 31.190 31.700 0.153 0.000 0.803 361 T N 1.835 116.415 114.554 0.043 0.000 2.939 361 T HA 0.144 4.473 4.350 -0.036 0.000 0.319 361 T C 0.563 175.156 174.700 -0.179 0.000 1.082 361 T CA 0.153 62.113 62.100 -0.235 0.000 1.133 361 T CB 0.045 68.751 68.868 -0.272 0.000 1.019 361 T HN -0.058 nan 8.240 nan 0.000 0.548 362 R N 2.625 122.973 120.500 -0.252 0.000 2.589 362 R HA 0.457 4.775 4.340 -0.036 0.000 0.293 362 R C -0.376 175.968 176.300 0.073 0.000 0.963 362 R CA -0.860 55.203 56.100 -0.061 0.000 0.905 362 R CB 1.806 32.090 30.300 -0.026 0.000 1.144 362 R HN 0.881 nan 8.270 nan 0.000 0.459 363 E N 1.428 121.727 120.200 0.166 0.000 2.166 363 E HA 0.706 5.035 4.350 -0.036 0.000 0.275 363 E C -0.319 176.413 176.600 0.220 0.000 0.941 363 E CA -0.911 55.592 56.400 0.173 0.000 0.784 363 E CB 2.085 31.794 29.700 0.015 0.000 1.115 363 E HN 0.739 nan 8.360 nan 0.000 0.399 364 G N 0.901 109.869 108.800 0.281 0.000 2.364 364 G HA2 0.326 4.265 3.960 -0.036 0.000 0.286 364 G HA3 0.326 4.265 3.960 -0.036 0.000 0.286 364 G C -1.569 173.419 174.900 0.146 0.000 1.241 364 G CA -0.240 44.860 45.100 -0.000 0.000 0.887 364 G HN 0.390 nan 8.290 nan 0.000 0.484 365 V N 0.651 120.518 119.914 -0.078 0.000 2.417 365 V HA 0.629 4.728 4.120 -0.036 0.000 0.291 365 V C -0.511 175.610 176.094 0.045 0.000 1.024 365 V CA -0.603 61.722 62.300 0.042 0.000 0.861 365 V CB 1.338 33.199 31.823 0.064 0.000 0.985 365 V HN 0.712 nan 8.190 nan 0.000 0.436 366 L N 6.625 127.944 121.223 0.159 0.000 2.272 366 L HA 0.605 4.923 4.340 -0.036 0.000 0.289 366 L C -0.463 176.470 176.870 0.106 0.000 1.032 366 L CA 0.263 55.222 54.840 0.198 0.000 0.810 366 L CB 1.022 43.216 42.059 0.226 0.000 1.205 366 L HN 0.534 nan 8.230 nan 0.000 0.422 367 I N 5.562 126.198 120.570 0.111 0.000 2.312 367 I HA 0.323 4.472 4.170 -0.036 0.000 0.290 367 I C 1.264 177.450 176.117 0.114 0.000 1.008 367 I CA -0.197 61.180 61.300 0.129 0.000 1.226 367 I CB 1.797 39.836 38.000 0.065 0.000 1.371 367 I HN 0.853 nan 8.210 nan 0.000 0.468 368 A N 4.187 127.029 122.820 0.038 0.000 1.972 368 A HA -0.146 4.152 4.320 -0.036 0.000 0.219 368 A C 1.031 178.659 177.584 0.073 0.000 1.169 368 A CA 1.388 53.436 52.037 0.018 0.000 0.635 368 A CB -0.176 18.784 19.000 -0.068 0.000 0.810 368 A HN 0.700 nan 8.150 nan 0.000 0.446 369 D N -1.433 119.046 120.400 0.131 0.000 2.472 369 D HA 0.377 4.995 4.640 -0.036 0.000 0.234 369 D C -2.155 174.261 176.300 0.194 0.000 1.088 369 D CA -2.225 51.877 54.000 0.169 0.000 0.882 369 D CB 1.248 42.182 40.800 0.223 0.000 1.037 369 D HN -0.016 nan 8.370 nan 0.000 0.520 370 P HA -0.073 nan 4.420 nan 0.000 0.223 370 P C 0.912 178.359 177.300 0.245 0.000 1.144 370 P CA 0.589 63.834 63.100 0.241 0.000 0.783 370 P CB 0.286 32.120 31.700 0.223 0.000 0.771 371 N N -0.619 118.179 118.700 0.162 0.000 2.573 371 N HA -0.047 4.671 4.740 -0.036 0.000 0.187 371 N C 1.266 176.880 175.510 0.173 0.000 1.107 371 N CA 0.758 53.891 53.050 0.137 0.000 0.918 371 N CB -0.247 38.281 38.487 0.068 0.000 0.966 371 N HN 0.306 nan 8.380 nan 0.000 0.448 372 L N -0.014 121.327 121.223 0.196 0.000 2.558 372 L HA 0.102 4.420 4.340 -0.036 0.000 0.225 372 L C 1.449 178.382 176.870 0.104 0.000 1.128 372 L CA 0.213 55.157 54.840 0.174 0.000 0.868 372 L CB 0.168 42.382 42.059 0.259 0.000 1.006 372 L HN 0.072 nan 8.230 nan 0.000 0.454 373 I N -1.834 118.766 120.570 0.050 0.000 3.570 373 I HA 0.064 4.213 4.170 -0.036 0.000 0.270 373 I C 0.513 176.437 176.117 -0.320 0.000 1.162 373 I CA 0.502 61.708 61.300 -0.156 0.000 1.413 373 I CB -0.301 37.553 38.000 -0.244 0.000 1.437 373 I HN -0.063 nan 8.210 nan 0.000 0.457 374 F N 3.052 122.992 119.950 -0.018 0.000 2.605 374 F HA 0.136 4.640 4.527 -0.037 0.000 0.352 374 F C 1.640 177.425 175.800 -0.026 0.000 1.236 374 F CA -0.141 57.837 58.000 -0.038 0.000 1.267 374 F CB -0.191 38.783 39.000 -0.044 0.000 1.632 374 F HN 0.019 nan 8.300 nan 0.000 0.639 375 T N -2.944 111.651 114.554 0.068 0.000 3.086 375 T HA 0.240 4.568 4.350 -0.036 0.000 0.250 375 T C 1.330 176.057 174.700 0.045 0.000 1.074 375 T CA 0.359 62.493 62.100 0.057 0.000 0.988 375 T CB 0.047 68.933 68.868 0.029 0.000 0.988 375 T HN 0.463 nan 8.240 nan 0.000 0.530 376 R N -0.080 120.449 120.500 0.049 0.000 2.582 376 R HA 0.749 5.067 4.340 -0.036 0.000 0.453 376 R C 0.474 176.797 176.300 0.038 0.000 0.969 376 R CA -0.128 55.990 56.100 0.030 0.000 1.113 376 R CB 0.070 30.373 30.300 0.004 0.000 1.507 376 R HN 0.758 nan 8.270 nan 0.000 0.587 377 G N -1.838 107.000 108.800 0.064 0.000 2.490 377 G HA2 0.541 4.479 3.960 -0.036 0.000 0.308 377 G HA3 0.541 4.479 3.960 -0.036 0.000 0.308 377 G C -1.072 173.847 174.900 0.032 0.000 1.286 377 G CA 0.262 45.389 45.100 0.045 0.000 0.825 377 G HN 0.778 nan 8.290 nan 0.000 0.479 378 E N -0.146 120.044 120.200 -0.017 0.000 2.354 378 E HA 0.526 4.854 4.350 -0.036 0.000 0.269 378 E C 0.272 176.743 176.600 -0.214 0.000 1.036 378 E CA -0.710 55.643 56.400 -0.078 0.000 0.876 378 E CB 0.528 30.183 29.700 -0.075 0.000 1.009 378 E HN 0.541 nan 8.360 nan 0.000 0.416 379 I N 3.343 123.745 120.570 -0.280 0.000 2.587 379 I HA 0.153 4.302 4.170 -0.036 0.000 0.284 379 I C -1.907 173.929 176.117 -0.469 0.000 1.134 379 I CA -2.744 58.233 61.300 -0.538 0.000 1.410 379 I CB 0.035 37.812 38.000 -0.370 0.000 1.392 379 I HN 0.432 nan 8.210 nan 0.000 0.545 380 P HA 0.076 nan 4.420 nan 0.000 0.268 380 P C -0.210 176.953 177.300 -0.227 0.000 1.208 380 P CA -0.076 62.821 63.100 -0.339 0.000 0.777 380 P CB 0.281 31.793 31.700 -0.313 0.000 0.875 381 S N 0.559 116.176 115.700 -0.140 0.000 2.572 381 S HA 0.341 4.789 4.470 -0.036 0.000 0.279 381 S C 0.384 174.944 174.600 -0.066 0.000 1.341 381 S CA -0.550 57.595 58.200 -0.091 0.000 1.043 381 S CB 0.299 63.462 63.200 -0.062 0.000 0.887 381 S HN 0.640 nan 8.310 nan 0.000 0.516 382 A N 2.157 124.951 122.820 -0.044 0.000 2.548 382 A HA 0.530 4.829 4.320 -0.036 0.000 0.247 382 A C 0.706 178.289 177.584 -0.002 0.000 1.067 382 A CA 0.781 52.811 52.037 -0.012 0.000 0.757 382 A CB -1.085 17.913 19.000 -0.005 0.000 0.996 382 A HN 1.188 nan 8.150 nan 0.000 0.504 386 L N 2.115 123.335 121.223 -0.005 0.000 2.395 386 L HA 0.988 5.306 4.340 -0.036 0.000 0.269 386 L C 0.024 176.848 176.870 -0.077 0.000 1.133 386 L CA -0.420 54.361 54.840 -0.099 0.000 0.812 386 L CB -0.158 41.717 42.059 -0.308 0.000 1.125 386 L HN 1.711 nan 8.230 nan 0.000 0.452 387 K N 2.265 122.635 120.400 -0.050 0.000 2.469 387 K HA 0.897 5.195 4.320 -0.036 0.000 0.268 387 K C -0.369 176.250 176.600 0.031 0.000 1.027 387 K CA -0.432 55.849 56.287 -0.011 0.000 0.893 387 K CB 0.811 33.327 32.500 0.026 0.000 1.460 387 K HN 0.876 nan 8.250 nan 0.000 0.449 388 L N 0.000 121.252 121.223 0.048 0.000 2.949 388 L HA 0.000 4.318 4.340 -0.036 0.000 0.249 388 L CA 0.000 54.900 54.840 0.100 0.000 0.813 388 L CB 0.000 42.092 42.059 0.055 0.000 0.961 388 L HN 0.000 nan 8.230 nan 0.000 0.502