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 3pik_1_A DATA FIRST_RESID 1 DATA SEQUENCE CSLAPDYQRP AMPVPQQFSL XXXXXXXXXX XYQNAGWRTF FVDNQVKTLI DATA SEQUENCE SEALVNNRDL RMATLKVQEA RAQYRLTDAD RYPQLNGEGS GSWSGNLKGN DATA SEQUENCE TATTREFSTG LNASFDLDFF GRLKNMSEAE RQNYLATEEA QRAVHILLVS DATA SEQUENCE NVAQSYFNQQ LAYAQLQIAE ETLRNYQQSY AFVEKQLLTG SSNVLALEQA DATA SEQUENCE RGVIESTRSD IAKRQGELAQ ANNALQLLLG SYGKLPQAQT VNSDSLQSVK DATA SEQUENCE LPAGLSSQIL LQRPDIMEAE HALMAANANI GAARAAFFPS ISLTSGISTA DATA SEQUENCE SSDLSSLFNA SSGMWNFIPK IEIPIFNAGR NQANLDIAEI RQQQSVVNYE DATA SEQUENCE QKIQNAFKEV ADALALRQSL NDQISAQQRY LASLQITLQR ARALYQHGAV DATA SEQUENCE SYLEVLDAER SLFATRQTLL DLNYARQVNE ISLYTALGGG 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.914 174.990 -0.127 0.000 1.270 1 C CA 0.000 58.879 59.018 -0.232 0.000 1.963 1 C CB 0.000 27.542 27.740 -0.330 0.000 2.134 2 S N 0.246 115.897 115.700 -0.080 0.000 2.451 2 S HA 0.684 5.155 4.470 0.001 0.000 0.301 2 S C 0.089 174.678 174.600 -0.018 0.000 1.116 2 S CA -0.551 57.633 58.200 -0.027 0.000 1.093 2 S CB 0.473 63.668 63.200 -0.010 0.000 1.017 2 S HN 0.621 nan 8.310 nan 0.000 0.482 3 L N 3.519 124.749 121.223 0.011 0.000 2.628 3 L HA 0.376 4.716 4.340 0.001 0.000 0.229 3 L C 1.216 178.106 176.870 0.032 0.000 1.137 3 L CA -0.281 54.569 54.840 0.017 0.000 0.909 3 L CB -0.388 41.690 42.059 0.032 0.000 1.137 3 L HN 0.715 nan 8.230 nan 0.000 0.470 4 A N 1.712 124.551 122.820 0.033 0.000 2.462 4 A HA 0.380 4.700 4.320 0.001 0.000 0.243 4 A C -1.987 175.615 177.584 0.029 0.000 1.076 4 A CA -0.851 51.209 52.037 0.039 0.000 0.773 4 A CB -0.439 18.587 19.000 0.043 0.000 1.010 4 A HN -0.010 nan 8.150 nan 0.000 0.493 5 P HA 0.164 nan 4.420 nan 0.000 0.272 5 P C -0.800 176.517 177.300 0.027 0.000 1.223 5 P CA -0.351 62.760 63.100 0.017 0.000 0.784 5 P CB 0.527 32.232 31.700 0.009 0.000 0.923 6 D N 0.478 120.888 120.400 0.018 0.000 2.399 6 D HA 0.015 4.655 4.640 0.001 0.000 0.241 6 D C -0.072 176.256 176.300 0.047 0.000 1.133 6 D CA 0.276 54.298 54.000 0.037 0.000 0.890 6 D CB -0.018 40.792 40.800 0.016 0.000 1.201 6 D HN 0.322 nan 8.370 nan 0.000 0.432 7 Y N 1.376 121.654 120.300 -0.037 0.000 2.526 7 Y HA 0.095 4.645 4.550 0.000 0.000 0.330 7 Y C -0.191 175.671 175.900 -0.064 0.000 1.156 7 Y CA 0.407 58.474 58.100 -0.056 0.000 1.419 7 Y CB 0.374 38.797 38.460 -0.060 0.000 1.250 7 Y HN 0.188 nan 8.280 nan 0.000 0.540 8 Q N 6.183 125.482 119.800 -0.837 0.000 2.292 8 Q HA 0.294 4.635 4.340 0.001 0.000 0.270 8 Q C -0.897 174.482 176.000 -1.035 0.000 1.024 8 Q CA -0.954 54.408 55.803 -0.735 0.000 0.768 8 Q CB 1.811 30.342 28.738 -0.346 0.000 1.250 8 Q HN 0.656 nan 8.270 nan 0.000 0.447 9 R N 3.458 123.452 120.500 -0.843 0.000 2.484 9 R HA 0.168 4.508 4.340 0.001 0.000 0.293 9 R C -2.177 173.918 176.300 -0.342 0.000 1.023 9 R CA -1.008 54.778 56.100 -0.523 0.000 1.037 9 R CB 0.204 30.429 30.300 -0.126 0.000 0.951 9 R HN 0.346 nan 8.270 nan 0.000 0.418 10 P HA -0.012 nan 4.420 nan 0.000 0.268 10 P C -1.011 176.272 177.300 -0.030 0.000 1.208 10 P CA -0.026 62.972 63.100 -0.170 0.000 0.777 10 P CB 0.585 32.204 31.700 -0.136 0.000 0.875 11 A N 2.938 125.745 122.820 -0.022 0.000 2.540 11 A HA 0.111 4.431 4.320 0.001 0.000 0.239 11 A C 0.479 178.085 177.584 0.037 0.000 1.061 11 A CA -0.093 51.941 52.037 -0.004 0.000 0.758 11 A CB -0.560 18.427 19.000 -0.022 0.000 0.991 11 A HN 0.573 nan 8.150 nan 0.000 0.502 12 M N 4.805 124.418 119.600 0.021 0.000 2.338 12 M HA 0.117 4.598 4.480 0.001 0.000 0.360 12 M C -1.282 174.992 176.300 -0.043 0.000 1.547 12 M CA -1.384 53.919 55.300 0.004 0.000 1.001 12 M CB 0.325 32.905 32.600 -0.033 0.000 2.008 12 M HN 0.466 nan 8.290 nan 0.000 0.464 13 P HA 0.123 nan 4.420 nan 0.000 0.256 13 P C -0.941 176.255 177.300 -0.175 0.000 1.384 13 P CA 0.215 63.265 63.100 -0.082 0.000 0.879 13 P CB -0.341 31.329 31.700 -0.049 0.000 1.403 14 V N -4.662 115.102 119.914 -0.251 0.000 3.159 14 V HA 0.689 4.809 4.120 0.001 0.000 0.308 14 V C -3.081 172.734 176.094 -0.466 0.000 1.190 14 V CA -3.075 58.925 62.300 -0.499 0.000 1.037 14 V CB 1.060 32.464 31.823 -0.697 0.000 1.060 14 V HN -0.317 nan 8.190 nan 0.000 0.437 15 P HA 0.188 nan 4.420 nan 0.000 0.270 15 P C 0.366 177.521 177.300 -0.242 0.000 1.227 15 P CA -0.095 62.808 63.100 -0.327 0.000 0.788 15 P CB 0.272 31.822 31.700 -0.249 0.000 0.926 16 Q N -0.171 119.544 119.800 -0.142 0.000 2.432 16 Q HA -0.009 4.331 4.340 0.001 0.000 0.205 16 Q C 0.013 175.938 176.000 -0.126 0.000 0.945 16 Q CA 0.778 56.510 55.803 -0.118 0.000 0.924 16 Q CB 0.074 28.769 28.738 -0.073 0.000 1.016 16 Q HN 0.515 nan 8.270 nan 0.000 0.503 17 Q N -0.793 118.950 119.800 -0.095 0.000 2.423 17 Q HA 0.329 4.669 4.340 0.001 0.000 0.278 17 Q C -0.633 175.362 176.000 -0.008 0.000 1.097 17 Q CA -0.710 55.044 55.803 -0.081 0.000 0.809 17 Q CB 1.265 30.005 28.738 0.003 0.000 1.391 17 Q HN 0.045 nan 8.270 nan 0.000 0.428 18 F N 0.234 120.253 119.950 0.114 0.000 2.456 18 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 18 F C 0.801 176.606 175.800 0.009 0.000 1.104 18 F CA 0.531 58.526 58.000 -0.009 0.000 1.435 18 F CB 0.740 39.631 39.000 -0.181 0.000 1.078 18 F HN 0.364 nan 8.300 nan 0.000 0.546 19 S N 0.270 116.078 115.700 0.180 0.000 2.368 19 S HA 0.353 4.823 4.470 0.001 0.000 0.249 19 S C -1.292 173.351 174.600 0.071 0.000 0.630 19 S CA -0.654 57.613 58.200 0.111 0.000 0.773 19 S CB -0.883 62.370 63.200 0.089 0.000 1.273 19 S HN 0.072 nan 8.310 nan 0.000 0.458 33 Q N 3.655 122.846 119.800 -1.014 0.000 2.320 33 Q HA 0.336 4.676 4.340 0.001 0.000 0.272 33 Q C -1.403 174.022 176.000 -0.958 0.000 1.023 33 Q CA -1.049 54.295 55.803 -0.765 0.000 0.855 33 Q CB 2.287 30.836 28.738 -0.314 0.000 1.367 33 Q HN 0.846 nan 8.270 nan 0.000 0.406 34 N N 0.412 118.804 118.700 -0.513 0.000 2.345 34 N HA 0.106 4.846 4.740 0.001 0.000 0.243 34 N C -0.318 175.157 175.510 -0.058 0.000 1.246 34 N CA 0.162 53.123 53.050 -0.149 0.000 0.863 34 N CB 0.584 39.009 38.487 -0.104 0.000 1.096 34 N HN 0.532 nan 8.380 nan 0.000 0.446 35 A N 1.301 124.183 122.820 0.103 0.000 2.313 35 A HA 0.487 4.807 4.320 0.001 0.000 0.261 35 A C 0.816 178.524 177.584 0.206 0.000 1.090 35 A CA -0.318 51.785 52.037 0.109 0.000 0.807 35 A CB 0.092 19.163 19.000 0.118 0.000 1.055 35 A HN 0.643 nan 8.150 nan 0.000 0.492 36 G N -0.340 108.532 108.800 0.120 0.000 2.554 36 G HA2 0.235 4.195 3.960 0.001 0.000 0.238 36 G HA3 0.235 4.195 3.960 0.001 0.000 0.238 36 G C 0.978 176.021 174.900 0.239 0.000 1.259 36 G CA 0.184 45.359 45.100 0.124 0.000 0.843 36 G HN 1.080 nan 8.290 nan 0.000 0.582 37 W N 1.611 123.117 121.300 0.344 0.000 2.392 37 W HA -0.100 4.560 4.660 0.000 0.000 0.279 37 W C 1.623 178.372 176.519 0.382 0.000 1.225 37 W CA 0.281 57.879 57.345 0.421 0.000 1.233 37 W CB -0.356 29.443 29.460 0.565 0.000 1.122 37 W HN 0.547 nan 8.180 nan 0.000 0.561 38 R N 0.493 120.824 120.500 -0.283 0.000 2.152 38 R HA -0.066 4.274 4.340 0.001 0.000 0.232 38 R C 2.303 178.598 176.300 -0.008 0.000 1.117 38 R CA 2.126 58.055 56.100 -0.285 0.000 0.981 38 R CB -0.310 29.665 30.300 -0.543 0.000 0.870 38 R HN 0.122 nan 8.270 nan 0.000 0.451 39 T N -0.162 114.408 114.554 0.026 0.000 3.021 39 T HA -0.003 4.347 4.350 0.001 0.000 0.245 39 T C 1.173 175.895 174.700 0.038 0.000 1.028 39 T CA 0.290 62.409 62.100 0.032 0.000 1.139 39 T CB -0.144 68.737 68.868 0.022 0.000 0.884 39 T HN 0.131 nan 8.240 nan 0.000 0.457 40 F N 1.890 121.762 119.950 -0.130 0.000 2.095 40 F HA 0.134 4.661 4.527 -0.000 0.000 0.298 40 F C 0.091 175.655 175.800 -0.392 0.000 1.104 40 F CA 0.600 58.360 58.000 -0.400 0.000 1.232 40 F CB -0.398 38.021 39.000 -0.967 0.000 0.987 40 F HN 0.029 nan 8.300 nan 0.000 0.475 41 F N 0.073 120.001 119.950 -0.037 0.000 2.424 41 F HA 0.240 4.767 4.527 0.001 0.000 0.356 41 F C 1.006 176.790 175.800 -0.027 0.000 1.110 41 F CA -0.508 57.459 58.000 -0.055 0.000 1.161 41 F CB 0.946 40.062 39.000 0.193 0.000 1.115 41 F HN -0.301 nan 8.300 nan 0.000 0.507 42 V N 0.955 120.920 119.914 0.085 0.000 2.374 42 V HA -0.140 3.980 4.120 0.001 0.000 0.241 42 V C 1.036 177.195 176.094 0.108 0.000 1.034 42 V CA 0.720 63.056 62.300 0.061 0.000 1.037 42 V CB -0.334 31.490 31.823 0.001 0.000 0.682 42 V HN 0.725 nan 8.190 nan 0.000 0.463 43 D N 1.237 121.733 120.400 0.159 0.000 2.586 43 D HA -0.153 4.487 4.640 0.001 0.000 0.234 43 D C 0.902 177.233 176.300 0.051 0.000 1.132 43 D CA 0.433 54.509 54.000 0.127 0.000 0.860 43 D CB 0.322 41.251 40.800 0.214 0.000 1.159 43 D HN 0.324 nan 8.370 nan 0.000 0.490 44 N N 2.950 121.653 118.700 0.006 0.000 2.376 44 N HA -0.156 4.584 4.740 0.001 0.000 0.177 44 N C 1.504 176.953 175.510 -0.101 0.000 1.024 44 N CA 0.350 53.390 53.050 -0.017 0.000 0.893 44 N CB 0.251 38.735 38.487 -0.005 0.000 0.980 44 N HN 0.475 nan 8.380 nan 0.000 0.439 45 Q N 0.772 120.466 119.800 -0.177 0.000 2.050 45 Q HA -0.071 4.270 4.340 0.001 0.000 0.202 45 Q C 2.013 177.681 176.000 -0.554 0.000 0.980 45 Q CA 1.298 56.912 55.803 -0.315 0.000 0.840 45 Q CB -0.337 28.209 28.738 -0.319 0.000 0.898 45 Q HN 0.149 nan 8.270 nan 0.000 0.424 46 V N 0.311 119.763 119.914 -0.770 0.000 2.490 46 V HA -0.268 3.853 4.120 0.001 0.000 0.250 46 V C 1.778 177.586 176.094 -0.477 0.000 1.061 46 V CA 1.951 63.737 62.300 -0.857 0.000 1.064 46 V CB -0.242 31.116 31.823 -0.776 0.000 0.670 46 V HN 0.365 nan 8.190 nan 0.000 0.461 47 K N -0.930 119.335 120.400 -0.224 0.000 2.155 47 K HA -0.106 4.214 4.320 0.001 0.000 0.203 47 K C 2.090 178.702 176.600 0.019 0.000 1.052 47 K CA 1.714 58.027 56.287 0.043 0.000 0.948 47 K CB -0.341 32.315 32.500 0.260 0.000 0.728 47 K HN 0.474 nan 8.250 nan 0.000 0.448 48 T N 2.010 116.521 114.554 -0.071 0.000 2.746 48 T HA -0.075 4.275 4.350 0.001 0.000 0.267 48 T C 1.822 176.455 174.700 -0.111 0.000 1.039 48 T CA 1.000 63.063 62.100 -0.062 0.000 1.142 48 T CB -0.097 68.721 68.868 -0.084 0.000 0.866 48 T HN 0.110 nan 8.240 nan 0.000 0.444 49 L N 0.111 121.213 121.223 -0.202 0.000 2.156 49 L HA 0.050 4.390 4.340 0.001 0.000 0.208 49 L C 2.377 179.110 176.870 -0.228 0.000 1.095 49 L CA 0.931 55.646 54.840 -0.208 0.000 0.770 49 L CB -0.535 41.371 42.059 -0.254 0.000 0.914 49 L HN 0.258 nan 8.230 nan 0.000 0.439 50 I N -0.777 119.609 120.570 -0.306 0.000 2.202 50 I HA -0.256 3.914 4.170 0.001 0.000 0.242 50 I C 2.623 178.560 176.117 -0.300 0.000 1.091 50 I CA 1.088 62.129 61.300 -0.432 0.000 1.368 50 I CB -0.224 37.290 38.000 -0.809 0.000 1.058 50 I HN 0.152 nan 8.210 nan 0.000 0.410 51 S N 0.306 115.939 115.700 -0.112 0.000 2.370 51 S HA -0.210 4.261 4.470 0.001 0.000 0.226 51 S C 1.860 176.444 174.600 -0.026 0.000 1.033 51 S CA 1.414 59.636 58.200 0.036 0.000 1.011 51 S CB -0.273 63.011 63.200 0.140 0.000 0.852 51 S HN 0.460 nan 8.310 nan 0.000 0.457 52 E N 1.196 121.359 120.200 -0.061 0.000 2.047 52 E HA -0.083 4.267 4.350 0.001 0.000 0.191 52 E C 2.422 178.970 176.600 -0.086 0.000 0.987 52 E CA 0.959 57.321 56.400 -0.063 0.000 0.799 52 E CB -0.281 29.375 29.700 -0.073 0.000 0.752 52 E HN 0.497 nan 8.360 nan 0.000 0.449 53 A N 1.493 124.235 122.820 -0.130 0.000 1.883 53 A HA -0.198 4.122 4.320 0.001 0.000 0.217 53 A C 2.219 179.720 177.584 -0.138 0.000 1.186 53 A CA 1.242 53.192 52.037 -0.145 0.000 0.624 53 A CB -0.844 18.044 19.000 -0.186 0.000 0.822 53 A HN 0.162 nan 8.150 nan 0.000 0.444 54 L N -0.506 120.621 121.223 -0.160 0.000 2.189 54 L HA -0.196 4.144 4.340 0.001 0.000 0.214 54 L C 2.345 179.181 176.870 -0.057 0.000 1.097 54 L CA 1.052 55.806 54.840 -0.145 0.000 0.764 54 L CB -0.539 41.452 42.059 -0.115 0.000 0.900 54 L HN 0.294 nan 8.230 nan 0.000 0.436 55 V N -0.822 119.069 119.914 -0.037 0.000 2.426 55 V HA -0.083 4.038 4.120 0.001 0.000 0.242 55 V C 1.751 177.835 176.094 -0.016 0.000 1.036 55 V CA 1.439 63.733 62.300 -0.010 0.000 1.044 55 V CB -0.300 31.523 31.823 0.000 0.000 0.688 55 V HN 0.458 nan 8.190 nan 0.000 0.462 56 N N -0.241 118.440 118.700 -0.033 0.000 2.282 56 N HA 0.040 4.780 4.740 0.001 0.000 0.185 56 N C 0.777 176.268 175.510 -0.031 0.000 1.099 56 N CA 0.001 53.037 53.050 -0.024 0.000 0.878 56 N CB -0.038 38.432 38.487 -0.028 0.000 0.993 56 N HN 0.414 nan 8.380 nan 0.000 0.481 57 N N 2.097 120.766 118.700 -0.052 0.000 2.447 57 N HA -0.033 4.707 4.740 0.001 0.000 0.263 57 N C 0.758 176.252 175.510 -0.027 0.000 1.226 57 N CA -0.032 52.986 53.050 -0.052 0.000 0.906 57 N CB 0.885 39.325 38.487 -0.078 0.000 1.060 57 N HN -0.106 nan 8.380 nan 0.000 0.468 58 R N 3.070 123.562 120.500 -0.013 0.000 2.075 58 R HA -0.058 4.282 4.340 0.001 0.000 0.232 58 R C 1.070 177.372 176.300 0.003 0.000 1.126 58 R CA 1.105 57.206 56.100 0.003 0.000 0.963 58 R CB -0.739 29.569 30.300 0.013 0.000 0.858 58 R HN 0.642 nan 8.270 nan 0.000 0.435 59 D N 0.385 120.783 120.400 -0.004 0.000 2.123 59 D HA -0.142 4.499 4.640 0.001 0.000 0.196 59 D C 1.813 178.114 176.300 0.003 0.000 0.992 59 D CA 0.800 54.801 54.000 0.000 0.000 0.833 59 D CB -0.179 40.618 40.800 -0.005 0.000 0.954 59 D HN 0.044 nan 8.370 nan 0.000 0.455 60 L N 0.482 121.700 121.223 -0.009 0.000 2.072 60 L HA -0.020 4.320 4.340 0.001 0.000 0.205 60 L C 2.132 179.012 176.870 0.016 0.000 1.079 60 L CA 1.403 56.242 54.840 -0.002 0.000 0.752 60 L CB -0.411 41.626 42.059 -0.036 0.000 0.906 60 L HN -0.200 nan 8.230 nan 0.000 0.436 61 R N -0.316 120.190 120.500 0.011 0.000 2.091 61 R HA -0.230 4.110 4.340 0.001 0.000 0.238 61 R C 2.159 178.475 176.300 0.026 0.000 1.136 61 R CA 2.424 58.536 56.100 0.020 0.000 0.959 61 R CB -0.827 29.483 30.300 0.016 0.000 0.856 61 R HN 0.467 nan 8.270 nan 0.000 0.437 62 M N -0.220 119.393 119.600 0.023 0.000 2.175 62 M HA 0.062 4.542 4.480 0.001 0.000 0.264 62 M C 1.912 178.231 176.300 0.032 0.000 1.063 62 M CA 2.027 57.343 55.300 0.026 0.000 1.119 62 M CB -0.443 32.170 32.600 0.022 0.000 1.377 62 M HN 0.201 nan 8.290 nan 0.000 0.415 63 A N -1.253 121.586 122.820 0.033 0.000 1.930 63 A HA -0.121 4.199 4.320 0.001 0.000 0.217 63 A C 2.171 179.783 177.584 0.048 0.000 1.175 63 A CA 2.143 54.203 52.037 0.039 0.000 0.627 63 A CB -1.320 17.703 19.000 0.040 0.000 0.815 63 A HN 0.565 nan 8.150 nan 0.000 0.443 64 T N 0.493 115.077 114.554 0.049 0.000 2.777 64 T HA -0.064 4.287 4.350 0.001 0.000 0.266 64 T C 1.775 176.509 174.700 0.057 0.000 1.040 64 T CA 1.406 63.540 62.100 0.057 0.000 1.141 64 T CB -0.351 68.550 68.868 0.055 0.000 0.868 64 T HN 0.376 nan 8.240 nan 0.000 0.444 65 L N 0.352 121.604 121.223 0.048 0.000 2.093 65 L HA -0.063 4.277 4.340 0.001 0.000 0.208 65 L C 2.619 179.520 176.870 0.053 0.000 1.085 65 L CA 1.272 56.139 54.840 0.046 0.000 0.755 65 L CB -0.416 41.664 42.059 0.036 0.000 0.904 65 L HN 0.204 nan 8.230 nan 0.000 0.435 66 K N -0.409 120.023 120.400 0.054 0.000 2.147 66 K HA -0.122 4.199 4.320 0.001 0.000 0.205 66 K C 2.025 178.676 176.600 0.085 0.000 1.049 66 K CA 1.013 57.336 56.287 0.060 0.000 0.936 66 K CB -0.105 32.426 32.500 0.052 0.000 0.722 66 K HN 0.108 nan 8.250 nan 0.000 0.446 67 V N 1.630 121.601 119.914 0.095 0.000 2.343 67 V HA -0.278 3.843 4.120 0.001 0.000 0.247 67 V C 2.166 178.369 176.094 0.182 0.000 1.051 67 V CA 1.713 64.104 62.300 0.152 0.000 1.036 67 V CB -0.482 31.418 31.823 0.128 0.000 0.654 67 V HN 0.357 nan 8.190 nan 0.000 0.451 68 Q N -0.579 119.288 119.800 0.112 0.000 2.084 68 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 68 Q C 2.442 178.469 176.000 0.045 0.000 0.978 68 Q CA 1.497 57.343 55.803 0.073 0.000 0.844 68 Q CB -0.208 28.561 28.738 0.051 0.000 0.898 68 Q HN 0.617 nan 8.270 nan 0.000 0.426 69 E N 0.534 120.766 120.200 0.054 0.000 2.051 69 E HA -0.200 4.151 4.350 0.001 0.000 0.192 69 E C 1.911 178.540 176.600 0.048 0.000 0.991 69 E CA 1.220 57.646 56.400 0.042 0.000 0.799 69 E CB -0.022 29.706 29.700 0.046 0.000 0.748 69 E HN 0.332 nan 8.360 nan 0.000 0.449 70 A N 1.386 124.259 122.820 0.089 0.000 1.969 70 A HA -0.175 4.146 4.320 0.001 0.000 0.218 70 A C 2.190 179.805 177.584 0.052 0.000 1.169 70 A CA 1.439 53.549 52.037 0.123 0.000 0.635 70 A CB -0.490 18.633 19.000 0.204 0.000 0.810 70 A HN 0.169 nan 8.150 nan 0.000 0.445 71 R N -0.317 120.136 120.500 -0.077 0.000 2.081 71 R HA -0.090 4.251 4.340 0.001 0.000 0.235 71 R C 2.278 178.483 176.300 -0.159 0.000 1.131 71 R CA 1.424 57.265 56.100 -0.432 0.000 0.960 71 R CB -0.389 29.645 30.300 -0.444 0.000 0.856 71 R HN 0.422 nan 8.270 nan 0.000 0.436 72 A N 0.580 123.354 122.820 -0.077 0.000 1.902 72 A HA -0.226 4.094 4.320 0.001 0.000 0.217 72 A C 2.053 179.613 177.584 -0.039 0.000 1.181 72 A CA 1.546 53.549 52.037 -0.057 0.000 0.623 72 A CB -0.543 18.438 19.000 -0.031 0.000 0.818 72 A HN 0.457 nan 8.150 nan 0.000 0.443 73 Q N -1.311 118.491 119.800 0.003 0.000 2.124 73 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 73 Q C 1.800 177.831 176.000 0.052 0.000 0.977 73 Q CA 2.215 58.035 55.803 0.029 0.000 0.850 73 Q CB -0.660 28.112 28.738 0.057 0.000 0.901 73 Q HN 0.727 nan 8.270 nan 0.000 0.429 74 Y N 0.601 120.864 120.300 -0.061 0.000 2.128 74 Y HA -0.175 4.375 4.550 0.001 0.000 0.284 74 Y C 1.895 177.768 175.900 -0.045 0.000 1.154 74 Y CA 2.097 60.164 58.100 -0.055 0.000 1.149 74 Y CB -0.279 38.106 38.460 -0.125 0.000 0.976 74 Y HN 0.069 nan 8.280 nan 0.000 0.505 75 R N -0.377 119.887 120.500 -0.392 0.000 2.073 75 R HA -0.165 4.175 4.340 0.001 0.000 0.234 75 R C 2.219 178.371 176.300 -0.246 0.000 1.134 75 R CA 1.545 57.392 56.100 -0.422 0.000 0.952 75 R CB -0.824 29.324 30.300 -0.254 0.000 0.850 75 R HN 0.407 nan 8.270 nan 0.000 0.433 76 L N 0.827 121.969 121.223 -0.135 0.000 2.043 76 L HA -0.187 4.153 4.340 0.001 0.000 0.212 76 L C 1.831 178.672 176.870 -0.049 0.000 1.075 76 L CA 2.038 56.835 54.840 -0.071 0.000 0.752 76 L CB -0.742 41.297 42.059 -0.033 0.000 0.891 76 L HN 0.095 nan 8.230 nan 0.000 0.432 77 T N -1.258 113.268 114.554 -0.046 0.000 2.857 77 T HA -0.138 4.212 4.350 0.001 0.000 0.266 77 T C 1.510 176.210 174.700 -0.000 0.000 1.048 77 T CA 1.280 63.381 62.100 0.003 0.000 1.139 77 T CB -0.314 68.586 68.868 0.053 0.000 0.874 77 T HN 0.428 nan 8.240 nan 0.000 0.455 78 D N 1.288 121.633 120.400 -0.092 0.000 2.144 78 D HA 0.013 4.653 4.640 0.001 0.000 0.200 78 D C 2.205 178.581 176.300 0.126 0.000 0.978 78 D CA 0.997 54.976 54.000 -0.035 0.000 0.833 78 D CB -0.259 40.378 40.800 -0.272 0.000 0.961 78 D HN 0.329 nan 8.370 nan 0.000 0.470 79 A N 0.536 123.379 122.820 0.038 0.000 1.978 79 A HA -0.179 4.141 4.320 0.001 0.000 0.220 79 A C 1.700 179.395 177.584 0.185 0.000 1.170 79 A CA 1.733 53.826 52.037 0.093 0.000 0.636 79 A CB -0.508 18.479 19.000 -0.022 0.000 0.810 79 A HN 0.202 nan 8.150 nan 0.000 0.448 80 D N -0.381 120.086 120.400 0.112 0.000 2.351 80 D HA -0.100 4.540 4.640 0.001 0.000 0.216 80 D C 1.791 178.153 176.300 0.103 0.000 0.968 80 D CA 0.771 54.827 54.000 0.093 0.000 0.899 80 D CB -0.289 40.542 40.800 0.052 0.000 0.907 80 D HN 0.536 nan 8.370 nan 0.000 0.514 81 R N -0.794 119.788 120.500 0.136 0.000 2.275 81 R HA 0.061 4.401 4.340 0.001 0.000 0.199 81 R C 0.313 176.633 176.300 0.034 0.000 0.989 81 R CA 0.209 56.326 56.100 0.028 0.000 1.016 81 R CB 0.186 30.444 30.300 -0.070 0.000 0.918 81 R HN 0.223 nan 8.270 nan 0.000 0.473 82 Y N 0.785 121.175 120.300 0.151 0.000 2.488 82 Y HA 0.294 4.844 4.550 0.000 0.000 0.325 82 Y C -1.877 174.166 175.900 0.239 0.000 1.204 82 Y CA -3.015 55.203 58.100 0.197 0.000 1.229 82 Y CB 0.422 38.929 38.460 0.079 0.000 1.274 82 Y HN -0.175 nan 8.280 nan 0.000 0.493 83 P HA 0.070 nan 4.420 nan 0.000 0.269 83 P C -1.378 176.030 177.300 0.180 0.000 1.209 83 P CA -0.137 63.127 63.100 0.274 0.000 0.776 83 P CB 0.448 32.187 31.700 0.065 0.000 0.876 84 Q N 0.954 120.841 119.800 0.146 0.000 2.306 84 Q HA 0.664 5.004 4.340 0.001 0.000 0.265 84 Q C -1.120 174.925 176.000 0.076 0.000 1.022 84 Q CA -0.921 54.939 55.803 0.095 0.000 0.853 84 Q CB 1.975 30.762 28.738 0.081 0.000 1.327 84 Q HN 0.246 nan 8.270 nan 0.000 0.449 85 L N 2.506 123.763 121.223 0.057 0.000 2.406 85 L HA 0.542 4.882 4.340 0.001 0.000 0.272 85 L C -1.661 175.235 176.870 0.044 0.000 0.980 85 L CA -0.066 54.804 54.840 0.051 0.000 0.831 85 L CB 1.462 43.548 42.059 0.045 0.000 1.253 85 L HN 0.580 nan 8.230 nan 0.000 0.406 86 N N 2.659 121.387 118.700 0.046 0.000 2.357 86 N HA 0.699 5.439 4.740 0.001 0.000 0.284 86 N C -0.832 174.705 175.510 0.046 0.000 1.236 86 N CA -0.439 52.636 53.050 0.042 0.000 0.774 86 N CB 2.373 40.882 38.487 0.038 0.000 1.534 86 N HN 0.738 nan 8.380 nan 0.000 0.478 87 G N -0.358 108.470 108.800 0.046 0.000 2.434 87 G HA2 0.568 4.529 3.960 0.001 0.000 0.330 87 G HA3 0.568 4.529 3.960 0.001 0.000 0.330 87 G C -0.852 174.079 174.900 0.051 0.000 1.155 87 G CA -0.180 44.953 45.100 0.054 0.000 0.917 87 G HN 0.428 nan 8.290 nan 0.000 0.493 88 E N -0.911 119.322 120.200 0.055 0.000 2.308 88 E HA 0.546 4.896 4.350 0.001 0.000 0.275 88 E C -0.843 175.792 176.600 0.057 0.000 0.890 88 E CA -0.799 55.630 56.400 0.049 0.000 0.754 88 E CB 2.394 32.116 29.700 0.036 0.000 1.207 88 E HN 0.706 nan 8.360 nan 0.000 0.426 89 G N 0.795 109.633 108.800 0.063 0.000 2.662 89 G HA2 0.536 4.497 3.960 0.001 0.000 0.302 89 G HA3 0.536 4.497 3.960 0.001 0.000 0.302 89 G C -1.307 173.641 174.900 0.080 0.000 1.389 89 G CA -0.299 44.847 45.100 0.076 0.000 0.998 89 G HN 0.263 nan 8.290 nan 0.000 0.502 90 S N -0.340 115.411 115.700 0.085 0.000 2.556 90 S HA 0.870 5.341 4.470 0.001 0.000 0.271 90 S C -0.245 174.416 174.600 0.103 0.000 1.135 90 S CA -0.095 58.153 58.200 0.079 0.000 0.858 90 S CB 1.840 65.053 63.200 0.023 0.000 1.114 90 S HN 1.481 nan 8.310 nan 0.000 0.468 91 G N 0.844 109.688 108.800 0.072 0.000 2.638 91 G HA2 0.606 4.566 3.960 0.001 0.000 0.302 91 G HA3 0.606 4.566 3.960 0.001 0.000 0.302 91 G C -1.392 173.350 174.900 -0.263 0.000 1.365 91 G CA -0.458 44.526 45.100 -0.194 0.000 0.987 91 G HN 0.744 nan 8.290 nan 0.000 0.495 92 S N 1.629 116.927 115.700 -0.670 0.000 2.789 92 S HA 0.509 4.979 4.470 0.001 0.000 0.286 92 S C -1.031 173.279 174.600 -0.483 0.000 1.153 92 S CA -0.709 57.287 58.200 -0.341 0.000 1.084 92 S CB 0.388 63.444 63.200 -0.240 0.000 1.036 92 S HN 0.499 nan 8.310 nan 0.000 0.484 93 W N 3.734 124.939 121.300 -0.158 0.000 2.390 93 W HA 0.567 5.228 4.660 0.000 0.000 0.312 93 W C 0.316 176.786 176.519 -0.081 0.000 1.123 93 W CA -0.670 56.603 57.345 -0.120 0.000 1.202 93 W CB 1.728 31.137 29.460 -0.085 0.000 1.251 93 W HN 0.797 nan 8.180 nan 0.000 0.511 94 S N 1.946 117.705 115.700 0.097 0.000 2.565 94 S HA 0.917 5.388 4.470 0.001 0.000 0.269 94 S C -0.733 173.890 174.600 0.038 0.000 1.153 94 S CA -0.741 57.493 58.200 0.056 0.000 0.835 94 S CB 2.352 65.558 63.200 0.009 0.000 1.122 94 S HN 0.702 nan 8.310 nan 0.000 0.462 95 G N 0.907 109.726 108.800 0.031 0.000 2.608 95 G HA2 0.534 4.494 3.960 0.001 0.000 0.291 95 G HA3 0.534 4.494 3.960 0.001 0.000 0.291 95 G C -1.543 173.365 174.900 0.013 0.000 1.425 95 G CA -0.875 44.237 45.100 0.021 0.000 0.787 95 G HN 0.633 nan 8.290 nan 0.000 0.484 96 N N -1.184 117.522 118.700 0.008 0.000 2.322 96 N HA 0.343 5.084 4.740 0.001 0.000 0.270 96 N C 0.695 176.209 175.510 0.007 0.000 1.286 96 N CA -0.369 52.684 53.050 0.005 0.000 0.948 96 N CB 1.354 39.842 38.487 0.002 0.000 1.164 96 N HN 0.302 nan 8.380 nan 0.000 0.551 97 L N -0.983 120.242 121.223 0.004 0.000 2.920 97 L HA 0.307 4.648 4.340 0.001 0.000 0.257 97 L C -0.156 176.716 176.870 0.003 0.000 1.150 97 L CA 0.232 55.074 54.840 0.004 0.000 0.959 97 L CB 0.391 42.452 42.059 0.003 0.000 1.321 97 L HN 0.436 nan 8.230 nan 0.000 0.555 98 K N -0.682 119.720 120.400 0.003 0.000 2.663 98 K HA 0.410 4.731 4.320 0.001 0.000 0.267 98 K C -0.935 175.666 176.600 0.001 0.000 1.004 98 K CA 0.192 56.480 56.287 0.002 0.000 0.947 98 K CB 1.172 33.672 32.500 0.001 0.000 1.372 98 K HN -0.060 nan 8.250 nan 0.000 0.411 99 G N 4.447 113.248 108.800 0.001 0.000 2.842 99 G HA2 -0.148 3.812 3.960 0.001 0.000 0.242 99 G HA3 -0.148 3.812 3.960 0.001 0.000 0.242 99 G C -0.540 174.361 174.900 0.001 0.000 1.135 99 G CA 0.128 45.229 45.100 0.001 0.000 1.048 99 G HN 0.991 nan 8.290 nan 0.000 0.530 100 N N -0.717 117.985 118.700 0.002 0.000 2.612 100 N HA -0.153 4.587 4.740 0.001 0.000 0.271 100 N C 0.173 175.686 175.510 0.005 0.000 1.259 100 N CA 1.000 54.052 53.050 0.003 0.000 0.678 100 N CB -1.031 37.457 38.487 0.001 0.000 0.953 100 N HN 0.614 nan 8.380 nan 0.000 0.522 101 T N 1.390 115.948 114.554 0.008 0.000 3.284 101 T HA 0.367 4.718 4.350 0.001 0.000 0.249 101 T C 0.761 175.471 174.700 0.016 0.000 0.944 101 T CA 0.404 62.511 62.100 0.011 0.000 0.919 101 T CB 0.100 68.974 68.868 0.011 0.000 1.089 101 T HN 0.631 nan 8.240 nan 0.000 0.576 102 A N 1.400 124.229 122.820 0.015 0.000 2.366 102 A HA 0.520 4.840 4.320 0.001 0.000 0.272 102 A C 0.698 178.295 177.584 0.023 0.000 1.135 102 A CA -0.406 51.643 52.037 0.019 0.000 0.804 102 A CB 0.117 19.124 19.000 0.013 0.000 1.064 102 A HN 0.308 nan 8.150 nan 0.000 0.499 103 T N 2.940 117.518 114.554 0.040 0.000 2.851 103 T HA 0.332 4.682 4.350 0.001 0.000 0.298 103 T C 0.567 175.278 174.700 0.017 0.000 0.977 103 T CA 0.457 62.589 62.100 0.054 0.000 1.126 103 T CB 0.342 69.283 68.868 0.122 0.000 0.916 103 T HN 0.656 nan 8.240 nan 0.000 0.529 104 T N 4.526 119.071 114.554 -0.016 0.000 2.889 104 T HA 0.489 4.840 4.350 0.001 0.000 0.291 104 T C 0.169 174.761 174.700 -0.180 0.000 0.995 104 T CA -0.527 61.525 62.100 -0.079 0.000 1.092 104 T CB 0.661 69.483 68.868 -0.077 0.000 0.954 104 T HN 0.429 nan 8.240 nan 0.000 0.506 105 R N 1.820 122.150 120.500 -0.283 0.000 2.533 105 R HA 0.476 4.816 4.340 0.001 0.000 0.288 105 R C -1.713 174.247 176.300 -0.567 0.000 1.039 105 R CA -0.581 55.164 56.100 -0.591 0.000 0.909 105 R CB 1.452 31.392 30.300 -0.598 0.000 1.195 105 R HN 0.600 nan 8.270 nan 0.000 0.438 106 E N 3.716 123.464 120.200 -0.754 0.000 2.290 106 E HA 0.374 4.725 4.350 0.001 0.000 0.274 106 E C -1.832 174.335 176.600 -0.721 0.000 0.889 106 E CA -0.459 55.616 56.400 -0.542 0.000 0.760 106 E CB 1.061 30.573 29.700 -0.313 0.000 1.206 106 E HN 0.321 nan 8.360 nan 0.000 0.419 107 F N 1.977 121.773 119.950 -0.257 0.000 2.492 107 F HA 0.688 5.215 4.527 0.000 0.000 0.327 107 F C 0.194 175.885 175.800 -0.182 0.000 1.079 107 F CA -0.395 57.473 58.000 -0.221 0.000 0.967 107 F CB 2.164 41.043 39.000 -0.202 0.000 1.169 107 F HN 0.444 nan 8.300 nan 0.000 0.472 108 S N -0.201 115.518 115.700 0.031 0.000 2.588 108 S HA 0.881 5.351 4.470 0.001 0.000 0.275 108 S C -1.238 173.337 174.600 -0.042 0.000 1.130 108 S CA -0.927 57.250 58.200 -0.039 0.000 0.855 108 S CB 2.006 65.177 63.200 -0.048 0.000 1.116 108 S HN 0.483 nan 8.310 nan 0.000 0.472 109 T N 0.759 115.270 114.554 -0.072 0.000 3.143 109 T HA 0.698 5.049 4.350 0.001 0.000 0.312 109 T C -0.169 174.530 174.700 -0.002 0.000 0.986 109 T CA -0.739 61.339 62.100 -0.036 0.000 1.024 109 T CB 1.354 70.168 68.868 -0.091 0.000 1.030 109 T HN 1.071 nan 8.240 nan 0.000 0.448 110 G N 1.758 110.574 108.800 0.025 0.000 2.416 110 G HA2 0.667 4.627 3.960 0.001 0.000 0.329 110 G HA3 0.667 4.627 3.960 0.001 0.000 0.329 110 G C -1.465 173.468 174.900 0.055 0.000 1.173 110 G CA -0.650 44.470 45.100 0.034 0.000 0.929 110 G HN 0.602 nan 8.290 nan 0.000 0.475 111 L N 2.823 124.085 121.223 0.064 0.000 2.342 111 L HA 0.471 4.811 4.340 0.001 0.000 0.276 111 L C -0.628 176.283 176.870 0.069 0.000 0.997 111 L CA -0.967 53.914 54.840 0.069 0.000 0.838 111 L CB 1.004 43.111 42.059 0.080 0.000 1.224 111 L HN 0.666 nan 8.230 nan 0.000 0.416 112 N N 4.209 122.946 118.700 0.061 0.000 2.258 112 N HA 0.775 5.515 4.740 0.001 0.000 0.299 112 N C -1.128 174.420 175.510 0.063 0.000 1.047 112 N CA -0.733 52.354 53.050 0.062 0.000 0.814 112 N CB 2.279 40.795 38.487 0.048 0.000 1.413 112 N HN 0.528 nan 8.380 nan 0.000 0.478 113 A N 0.795 123.660 122.820 0.074 0.000 2.306 113 A HA 0.717 5.038 4.320 0.001 0.000 0.330 113 A C -0.429 177.203 177.584 0.081 0.000 1.146 113 A CA -0.625 51.459 52.037 0.079 0.000 0.827 113 A CB 1.271 20.323 19.000 0.087 0.000 1.178 113 A HN 0.604 nan 8.150 nan 0.000 0.490 114 S N -0.173 115.590 115.700 0.105 0.000 2.540 114 S HA 0.737 5.207 4.470 0.001 0.000 0.275 114 S C -1.922 172.812 174.600 0.223 0.000 1.123 114 S CA -0.306 57.962 58.200 0.113 0.000 0.907 114 S CB 0.948 64.193 63.200 0.076 0.000 1.081 114 S HN 1.114 nan 8.310 nan 0.000 0.476 115 F N 3.012 122.958 119.950 -0.006 0.000 2.651 115 F HA 0.404 4.931 4.527 0.000 0.000 0.329 115 F C -1.676 174.114 175.800 -0.018 0.000 1.186 115 F CA -0.899 57.099 58.000 -0.002 0.000 1.046 115 F CB 1.305 40.309 39.000 0.006 0.000 1.296 115 F HN 0.419 nan 8.300 nan 0.000 0.497 116 D N 6.241 126.258 120.400 -0.639 0.000 2.249 116 D HA 0.246 4.886 4.640 0.001 0.000 0.246 116 D C 1.003 176.668 176.300 -1.058 0.000 1.114 116 D CA -0.130 53.501 54.000 -0.615 0.000 0.854 116 D CB 2.024 42.642 40.800 -0.305 0.000 1.132 116 D HN 0.489 nan 8.370 nan 0.000 0.461 117 L N 1.684 122.496 121.223 -0.685 0.000 2.141 117 L HA -0.096 4.244 4.340 0.001 0.000 0.209 117 L C 0.701 177.455 176.870 -0.193 0.000 1.094 117 L CA 1.087 55.644 54.840 -0.472 0.000 0.763 117 L CB -0.620 41.259 42.059 -0.299 0.000 0.908 117 L HN 0.564 nan 8.230 nan 0.000 0.437 118 D N -2.864 117.460 120.400 -0.126 0.000 2.699 118 D HA -0.295 4.346 4.640 0.001 0.000 0.239 118 D C 1.045 177.415 176.300 0.116 0.000 1.136 118 D CA 0.202 54.201 54.000 -0.002 0.000 0.668 118 D CB -1.225 39.541 40.800 -0.057 0.000 1.060 118 D HN 0.125 nan 8.370 nan 0.000 0.429 119 F N -0.387 119.497 119.950 -0.109 0.000 2.216 119 F HA 0.050 4.578 4.527 0.001 0.000 0.300 119 F C 1.696 177.230 175.800 -0.443 0.000 1.085 119 F CA 1.035 58.869 58.000 -0.277 0.000 1.326 119 F CB -0.268 38.520 39.000 -0.352 0.000 1.027 119 F HN 0.248 nan 8.300 nan 0.000 0.497 120 F N -0.708 119.280 119.950 0.064 0.000 2.639 120 F HA 0.350 4.877 4.527 0.000 0.000 0.300 120 F C 1.626 177.395 175.800 -0.053 0.000 1.109 120 F CA 0.414 58.367 58.000 -0.078 0.000 1.335 120 F CB -0.142 38.781 39.000 -0.129 0.000 1.014 120 F HN 0.010 nan 8.300 nan 0.000 0.537 121 G N 0.866 109.714 108.800 0.080 0.000 2.160 121 G HA2 -0.381 3.579 3.960 0.001 0.000 0.251 121 G HA3 -0.381 3.579 3.960 0.001 0.000 0.251 121 G C 1.394 176.336 174.900 0.071 0.000 1.008 121 G CA 0.644 45.772 45.100 0.046 0.000 0.724 121 G HN 0.406 nan 8.290 nan 0.000 0.514 122 R N -0.406 120.151 120.500 0.096 0.000 2.080 122 R HA 0.006 4.346 4.340 0.001 0.000 0.236 122 R C 2.536 178.870 176.300 0.058 0.000 1.137 122 R CA 1.928 58.077 56.100 0.082 0.000 0.943 122 R CB -0.294 30.055 30.300 0.083 0.000 0.846 122 R HN 0.527 nan 8.270 nan 0.000 0.431 123 L N 0.434 121.681 121.223 0.041 0.000 2.109 123 L HA -0.101 4.239 4.340 0.001 0.000 0.207 123 L C 2.696 179.593 176.870 0.045 0.000 1.086 123 L CA 1.230 56.090 54.840 0.033 0.000 0.760 123 L CB -0.442 41.620 42.059 0.005 0.000 0.910 123 L HN 0.259 nan 8.230 nan 0.000 0.437 124 K N 0.432 120.855 120.400 0.038 0.000 2.026 124 K HA -0.190 4.131 4.320 0.001 0.000 0.208 124 K C 1.924 178.566 176.600 0.070 0.000 1.048 124 K CA 1.550 57.866 56.287 0.049 0.000 0.929 124 K CB 0.017 32.534 32.500 0.029 0.000 0.713 124 K HN 0.241 nan 8.250 nan 0.000 0.439 125 N N 0.400 119.138 118.700 0.064 0.000 2.270 125 N HA -0.075 4.666 4.740 0.001 0.000 0.181 125 N C 1.728 177.286 175.510 0.079 0.000 1.016 125 N CA 1.133 54.224 53.050 0.069 0.000 0.870 125 N CB -0.026 38.500 38.487 0.064 0.000 0.979 125 N HN 0.323 nan 8.380 nan 0.000 0.431 126 M N -0.287 119.360 119.600 0.078 0.000 2.229 126 M HA -0.080 4.400 4.480 0.001 0.000 0.264 126 M C 2.282 178.648 176.300 0.109 0.000 1.063 126 M CA 0.883 56.231 55.300 0.081 0.000 1.114 126 M CB -0.129 32.511 32.600 0.066 0.000 1.387 126 M HN 0.024 nan 8.290 nan 0.000 0.420 127 S N 0.299 116.075 115.700 0.127 0.000 2.355 127 S HA -0.177 4.293 4.470 0.001 0.000 0.222 127 S C 1.780 176.526 174.600 0.243 0.000 1.031 127 S CA 1.662 59.984 58.200 0.202 0.000 0.993 127 S CB -0.119 63.196 63.200 0.191 0.000 0.859 127 S HN 0.426 nan 8.310 nan 0.000 0.453 128 E N 1.454 121.750 120.200 0.159 0.000 2.118 128 E HA -0.029 4.321 4.350 0.001 0.000 0.195 128 E C 1.882 178.529 176.600 0.077 0.000 0.992 128 E CA 1.495 57.956 56.400 0.103 0.000 0.804 128 E CB -0.682 29.062 29.700 0.074 0.000 0.741 128 E HN 0.509 nan 8.360 nan 0.000 0.458 129 A N 0.867 123.741 122.820 0.091 0.000 1.902 129 A HA -0.179 4.141 4.320 0.001 0.000 0.217 129 A C 2.072 179.709 177.584 0.088 0.000 1.181 129 A CA 1.670 53.755 52.037 0.080 0.000 0.623 129 A CB -0.540 18.508 19.000 0.079 0.000 0.818 129 A HN 0.227 nan 8.150 nan 0.000 0.443 130 E N -0.529 119.750 120.200 0.131 0.000 2.150 130 E HA -0.169 4.182 4.350 0.001 0.000 0.193 130 E C 2.138 178.813 176.600 0.125 0.000 0.985 130 E CA 0.991 57.490 56.400 0.165 0.000 0.814 130 E CB -0.328 29.514 29.700 0.236 0.000 0.752 130 E HN 0.689 nan 8.360 nan 0.000 0.466 131 R N 0.649 121.148 120.500 -0.002 0.000 2.096 131 R HA -0.127 4.213 4.340 0.001 0.000 0.235 131 R C 2.161 178.391 176.300 -0.115 0.000 1.127 131 R CA 1.101 56.996 56.100 -0.340 0.000 0.968 131 R CB 0.170 30.122 30.300 -0.581 0.000 0.861 131 R HN 0.050 nan 8.270 nan 0.000 0.440 132 Q N 0.252 120.022 119.800 -0.050 0.000 2.123 132 Q HA -0.158 4.182 4.340 0.001 0.000 0.199 132 Q C 1.741 177.728 176.000 -0.022 0.000 0.966 132 Q CA 1.268 57.050 55.803 -0.034 0.000 0.845 132 Q CB -0.565 28.195 28.738 0.036 0.000 0.907 132 Q HN 0.521 nan 8.270 nan 0.000 0.439 133 N N 0.118 118.839 118.700 0.035 0.000 2.149 133 N HA -0.209 4.531 4.740 0.001 0.000 0.188 133 N C 1.830 177.374 175.510 0.056 0.000 1.019 133 N CA 1.052 54.135 53.050 0.055 0.000 0.857 133 N CB -0.090 38.446 38.487 0.082 0.000 0.997 133 N HN 0.222 nan 8.380 nan 0.000 0.426 134 Y N 1.459 121.716 120.300 -0.073 0.000 2.114 134 Y HA -0.146 4.404 4.550 0.001 0.000 0.284 134 Y C 2.185 177.994 175.900 -0.152 0.000 1.143 134 Y CA 1.043 59.090 58.100 -0.088 0.000 1.135 134 Y CB -0.763 37.632 38.460 -0.109 0.000 0.980 134 Y HN -0.024 nan 8.280 nan 0.000 0.499 135 L N 0.884 121.768 121.223 -0.565 0.000 2.013 135 L HA -0.210 4.130 4.340 0.001 0.000 0.212 135 L C 2.808 179.348 176.870 -0.550 0.000 1.073 135 L CA 2.139 56.496 54.840 -0.806 0.000 0.753 135 L CB -1.902 39.508 42.059 -1.082 0.000 0.890 135 L HN 0.405 nan 8.230 nan 0.000 0.432 136 A N -1.714 120.939 122.820 -0.279 0.000 1.940 136 A HA -0.236 4.085 4.320 0.001 0.000 0.219 136 A C 2.344 179.895 177.584 -0.055 0.000 1.176 136 A CA 2.375 54.383 52.037 -0.048 0.000 0.631 136 A CB -0.978 18.050 19.000 0.046 0.000 0.814 136 A HN 0.471 nan 8.150 nan 0.000 0.446 137 T N -0.231 114.278 114.554 -0.075 0.000 2.821 137 T HA -0.100 4.251 4.350 0.001 0.000 0.267 137 T C 1.731 176.394 174.700 -0.062 0.000 1.046 137 T CA 1.443 63.527 62.100 -0.026 0.000 1.139 137 T CB -0.216 68.676 68.868 0.039 0.000 0.871 137 T HN 0.644 nan 8.240 nan 0.000 0.454 138 E N 0.752 120.847 120.200 -0.175 0.000 2.077 138 E HA -0.146 4.205 4.350 0.001 0.000 0.193 138 E C 2.412 178.956 176.600 -0.093 0.000 0.989 138 E CA 0.834 57.135 56.400 -0.166 0.000 0.800 138 E CB -0.018 29.495 29.700 -0.313 0.000 0.746 138 E HN 0.416 nan 8.360 nan 0.000 0.452 139 E N 0.497 120.648 120.200 -0.083 0.000 2.077 139 E HA -0.161 4.190 4.350 0.001 0.000 0.193 139 E C 2.048 178.649 176.600 0.002 0.000 0.989 139 E CA 0.967 57.355 56.400 -0.018 0.000 0.800 139 E CB -0.266 29.457 29.700 0.038 0.000 0.746 139 E HN 0.234 nan 8.360 nan 0.000 0.452 140 A N 1.560 124.383 122.820 0.006 0.000 1.902 140 A HA -0.227 4.094 4.320 0.001 0.000 0.217 140 A C 2.196 179.796 177.584 0.027 0.000 1.181 140 A CA 1.544 53.594 52.037 0.020 0.000 0.623 140 A CB -0.471 18.543 19.000 0.024 0.000 0.818 140 A HN 0.142 nan 8.150 nan 0.000 0.443 141 Q N 0.043 119.856 119.800 0.022 0.000 2.061 141 Q HA -0.203 4.137 4.340 0.001 0.000 0.204 141 Q C 2.265 178.303 176.000 0.063 0.000 0.984 141 Q CA 1.846 57.674 55.803 0.041 0.000 0.846 141 Q CB -0.250 28.507 28.738 0.031 0.000 0.902 141 Q HN 0.723 nan 8.270 nan 0.000 0.421 142 R N -0.394 120.124 120.500 0.029 0.000 2.120 142 R HA -0.102 4.238 4.340 0.001 0.000 0.234 142 R C 2.311 178.645 176.300 0.057 0.000 1.123 142 R CA 1.079 57.190 56.100 0.019 0.000 0.975 142 R CB -0.319 29.963 30.300 -0.031 0.000 0.866 142 R HN 0.266 nan 8.270 nan 0.000 0.446 143 A N 0.646 123.493 122.820 0.044 0.000 1.873 143 A HA -0.107 4.213 4.320 0.001 0.000 0.215 143 A C 2.324 179.943 177.584 0.058 0.000 1.186 143 A CA 1.331 53.393 52.037 0.042 0.000 0.616 143 A CB -0.511 18.505 19.000 0.028 0.000 0.823 143 A HN 0.112 nan 8.150 nan 0.000 0.442 144 V N 0.016 119.966 119.914 0.061 0.000 2.407 144 V HA -0.273 3.847 4.120 0.001 0.000 0.248 144 V C 2.539 178.671 176.094 0.063 0.000 1.055 144 V CA 2.170 64.499 62.300 0.049 0.000 1.049 144 V CB -1.062 30.785 31.823 0.041 0.000 0.662 144 V HN 0.773 nan 8.190 nan 0.000 0.455 145 H N 1.113 120.181 119.070 -0.003 0.000 2.321 145 H HA -0.153 4.403 4.556 0.000 0.000 0.300 145 H C 2.288 177.605 175.328 -0.018 0.000 1.087 145 H CA 2.539 58.584 56.048 -0.006 0.000 1.319 145 H CB -0.028 29.744 29.762 0.016 0.000 1.379 145 H HN 0.572 nan 8.280 nan 0.000 0.501 146 I N -1.403 119.299 120.570 0.221 0.000 2.500 146 I HA -0.116 4.055 4.170 0.001 0.000 0.252 146 I C 2.180 178.331 176.117 0.057 0.000 1.142 146 I CA 0.812 62.198 61.300 0.144 0.000 1.451 146 I CB -0.463 37.590 38.000 0.088 0.000 1.093 146 I HN 0.051 nan 8.210 nan 0.000 0.430 147 L N 0.417 121.662 121.223 0.037 0.000 2.141 147 L HA -0.146 4.195 4.340 0.001 0.000 0.209 147 L C 2.574 179.439 176.870 -0.007 0.000 1.094 147 L CA 0.897 55.748 54.840 0.019 0.000 0.763 147 L CB -0.493 41.576 42.059 0.017 0.000 0.908 147 L HN 0.365 nan 8.230 nan 0.000 0.437 148 L N -0.764 120.431 121.223 -0.047 0.000 2.072 148 L HA -0.116 4.224 4.340 0.001 0.000 0.205 148 L C 2.355 179.142 176.870 -0.139 0.000 1.079 148 L CA 1.477 56.257 54.840 -0.100 0.000 0.752 148 L CB -0.276 41.689 42.059 -0.156 0.000 0.906 148 L HN -0.104 nan 8.230 nan 0.000 0.436 149 V N -1.068 118.744 119.914 -0.170 0.000 2.287 149 V HA -0.303 3.818 4.120 0.001 0.000 0.248 149 V C 2.754 178.819 176.094 -0.048 0.000 1.053 149 V CA 1.901 64.064 62.300 -0.229 0.000 1.027 149 V CB -0.785 30.897 31.823 -0.235 0.000 0.646 149 V HN 0.626 nan 8.190 nan 0.000 0.447 150 S N 0.103 115.844 115.700 0.067 0.000 2.353 150 S HA -0.262 4.208 4.470 0.001 0.000 0.222 150 S C 1.822 176.487 174.600 0.110 0.000 1.035 150 S CA 2.424 60.718 58.200 0.156 0.000 1.025 150 S CB -0.592 62.680 63.200 0.120 0.000 0.902 150 S HN 0.762 nan 8.310 nan 0.000 0.440 151 N N 0.006 118.732 118.700 0.043 0.000 2.120 151 N HA -0.090 4.650 4.740 0.001 0.000 0.188 151 N C 1.754 177.277 175.510 0.023 0.000 1.024 151 N CA 1.403 54.475 53.050 0.036 0.000 0.852 151 N CB -0.225 38.267 38.487 0.008 0.000 1.003 151 N HN 0.201 nan 8.380 nan 0.000 0.424 152 V N 1.648 121.536 119.914 -0.043 0.000 2.255 152 V HA -0.275 3.846 4.120 0.001 0.000 0.247 152 V C 2.455 178.525 176.094 -0.040 0.000 1.051 152 V CA 2.058 64.309 62.300 -0.082 0.000 1.018 152 V CB -0.982 30.729 31.823 -0.187 0.000 0.641 152 V HN 0.357 nan 8.190 nan 0.000 0.445 153 A N -0.849 121.938 122.820 -0.054 0.000 1.883 153 A HA -0.331 3.990 4.320 0.001 0.000 0.217 153 A C 2.181 179.980 177.584 0.358 0.000 1.186 153 A CA 2.272 54.342 52.037 0.054 0.000 0.624 153 A CB -0.586 18.476 19.000 0.104 0.000 0.822 153 A HN 0.651 nan 8.150 nan 0.000 0.444 154 Q N -0.923 119.068 119.800 0.318 0.000 2.084 154 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 154 Q C 2.477 178.670 176.000 0.320 0.000 0.978 154 Q CA 1.676 57.688 55.803 0.347 0.000 0.844 154 Q CB -0.282 28.585 28.738 0.214 0.000 0.898 154 Q HN 0.679 nan 8.270 nan 0.000 0.426 155 S N -0.247 115.562 115.700 0.182 0.000 2.382 155 S HA -0.202 4.268 4.470 0.001 0.000 0.228 155 S C 1.798 176.448 174.600 0.082 0.000 1.027 155 S CA 1.047 59.312 58.200 0.108 0.000 0.991 155 S CB -0.279 62.947 63.200 0.044 0.000 0.823 155 S HN 0.524 nan 8.310 nan 0.000 0.469 156 Y N 1.040 121.305 120.300 -0.059 0.000 2.163 156 Y HA -0.029 4.521 4.550 0.000 0.000 0.288 156 Y C 1.605 177.406 175.900 -0.164 0.000 1.136 156 Y CA 1.702 59.684 58.100 -0.196 0.000 1.147 156 Y CB -0.760 37.457 38.460 -0.405 0.000 0.987 156 Y HN 0.327 nan 8.280 nan 0.000 0.509 157 F N 0.383 120.341 119.950 0.014 0.000 2.293 157 F HA -0.117 4.411 4.527 0.001 0.000 0.300 157 F C 2.306 178.138 175.800 0.053 0.000 1.086 157 F CA 1.568 59.582 58.000 0.023 0.000 1.375 157 F CB -0.979 38.169 39.000 0.247 0.000 1.045 157 F HN 0.175 nan 8.300 nan 0.000 0.516 158 N N 0.167 118.995 118.700 0.212 0.000 2.142 158 N HA -0.209 4.531 4.740 0.001 0.000 0.186 158 N C 1.957 177.327 175.510 -0.233 0.000 1.023 158 N CA 1.219 54.154 53.050 -0.191 0.000 0.852 158 N CB -0.272 38.166 38.487 -0.081 0.000 0.998 158 N HN 0.330 nan 8.380 nan 0.000 0.424 159 Q N -0.298 119.381 119.800 -0.202 0.000 2.061 159 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 159 Q C 1.557 177.411 176.000 -0.243 0.000 0.984 159 Q CA 1.373 57.019 55.803 -0.261 0.000 0.846 159 Q CB -0.074 28.526 28.738 -0.230 0.000 0.902 159 Q HN 0.474 nan 8.270 nan 0.000 0.421 160 Q N 0.350 120.006 119.800 -0.241 0.000 2.170 160 Q HA -0.158 4.182 4.340 0.001 0.000 0.203 160 Q C 2.153 178.155 176.000 0.004 0.000 0.976 160 Q CA 0.858 56.621 55.803 -0.065 0.000 0.858 160 Q CB -0.432 28.184 28.738 -0.202 0.000 0.907 160 Q HN 0.356 nan 8.270 nan 0.000 0.433 161 L N 0.586 121.764 121.223 -0.075 0.000 2.046 161 L HA -0.075 4.266 4.340 0.001 0.000 0.208 161 L C 2.119 178.925 176.870 -0.106 0.000 1.077 161 L CA 2.116 56.894 54.840 -0.103 0.000 0.747 161 L CB -0.871 40.994 42.059 -0.323 0.000 0.896 161 L HN 0.103 nan 8.230 nan 0.000 0.432 162 A N -1.159 121.560 122.820 -0.169 0.000 1.883 162 A HA -0.256 4.064 4.320 0.001 0.000 0.217 162 A C 2.178 179.710 177.584 -0.087 0.000 1.186 162 A CA 1.949 53.886 52.037 -0.166 0.000 0.624 162 A CB -1.244 17.608 19.000 -0.246 0.000 0.822 162 A HN 0.543 nan 8.150 nan 0.000 0.444 163 Y N -0.050 120.203 120.300 -0.078 0.000 2.114 163 Y HA -0.230 4.320 4.550 0.000 0.000 0.282 163 Y C 2.978 178.857 175.900 -0.034 0.000 1.165 163 Y CA 1.040 59.109 58.100 -0.053 0.000 1.148 163 Y CB -0.873 37.551 38.460 -0.060 0.000 0.972 163 Y HN 0.338 nan 8.280 nan 0.000 0.504 164 A N -0.658 122.246 122.820 0.140 0.000 1.930 164 A HA -0.167 4.154 4.320 0.001 0.000 0.217 164 A C 2.147 179.766 177.584 0.059 0.000 1.175 164 A CA 1.350 53.436 52.037 0.081 0.000 0.627 164 A CB -0.426 18.610 19.000 0.060 0.000 0.815 164 A HN 0.381 nan 8.150 nan 0.000 0.443 165 Q N -0.917 118.904 119.800 0.034 0.000 2.119 165 Q HA -0.118 4.222 4.340 0.001 0.000 0.201 165 Q C 2.085 178.120 176.000 0.058 0.000 0.972 165 Q CA 1.269 57.088 55.803 0.026 0.000 0.847 165 Q CB -0.495 28.230 28.738 -0.022 0.000 0.903 165 Q HN 0.599 nan 8.270 nan 0.000 0.433 166 L N 1.139 122.394 121.223 0.052 0.000 2.056 166 L HA -0.176 4.164 4.340 0.001 0.000 0.207 166 L C 2.443 179.355 176.870 0.070 0.000 1.078 166 L CA 1.927 56.803 54.840 0.061 0.000 0.749 166 L CB -0.738 41.355 42.059 0.056 0.000 0.901 166 L HN 0.212 nan 8.230 nan 0.000 0.433 167 Q N -0.127 119.717 119.800 0.074 0.000 2.084 167 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 167 Q C 2.241 178.267 176.000 0.044 0.000 0.978 167 Q CA 2.599 58.433 55.803 0.052 0.000 0.844 167 Q CB -0.368 28.397 28.738 0.044 0.000 0.898 167 Q HN 0.803 nan 8.270 nan 0.000 0.426 168 I N -2.428 118.185 120.570 0.072 0.000 2.546 168 I HA 0.019 4.190 4.170 0.001 0.000 0.255 168 I C 2.182 178.363 176.117 0.105 0.000 1.163 168 I CA 1.088 62.442 61.300 0.090 0.000 1.457 168 I CB -0.452 37.633 38.000 0.142 0.000 1.092 168 I HN 0.076 nan 8.210 nan 0.000 0.434 169 A N 1.664 124.577 122.820 0.155 0.000 1.898 169 A HA -0.155 4.165 4.320 0.001 0.000 0.216 169 A C 2.242 179.799 177.584 -0.045 0.000 1.181 169 A CA 1.749 53.869 52.037 0.138 0.000 0.620 169 A CB -0.608 18.518 19.000 0.210 0.000 0.819 169 A HN 0.593 nan 8.150 nan 0.000 0.442 170 E N 0.075 120.265 120.200 -0.017 0.000 2.072 170 E HA -0.202 4.148 4.350 0.001 0.000 0.191 170 E C 2.039 178.588 176.600 -0.086 0.000 0.985 170 E CA 1.249 57.625 56.400 -0.041 0.000 0.801 170 E CB -0.231 29.463 29.700 -0.009 0.000 0.750 170 E HN 0.919 nan 8.360 nan 0.000 0.452 171 E N 0.607 120.754 120.200 -0.088 0.000 2.204 171 E HA -0.125 4.226 4.350 0.001 0.000 0.194 171 E C 1.708 178.175 176.600 -0.223 0.000 0.989 171 E CA 1.259 57.590 56.400 -0.116 0.000 0.824 171 E CB -0.266 29.388 29.700 -0.078 0.000 0.756 171 E HN 0.036 nan 8.360 nan 0.000 0.477 172 T N 1.688 116.036 114.554 -0.345 0.000 2.867 172 T HA -0.093 4.258 4.350 0.001 0.000 0.268 172 T C 1.748 176.068 174.700 -0.634 0.000 1.057 172 T CA 0.974 62.669 62.100 -0.674 0.000 1.136 172 T CB -0.210 67.927 68.868 -1.219 0.000 0.874 172 T HN 0.093 nan 8.240 nan 0.000 0.466 173 L N 1.393 122.407 121.223 -0.348 0.000 2.017 173 L HA 0.008 4.349 4.340 0.001 0.000 0.208 173 L C 2.435 179.246 176.870 -0.099 0.000 1.073 173 L CA 1.771 56.516 54.840 -0.158 0.000 0.745 173 L CB -0.527 41.486 42.059 -0.077 0.000 0.894 173 L HN 0.023 nan 8.230 nan 0.000 0.432 174 R N -0.471 119.965 120.500 -0.108 0.000 2.091 174 R HA -0.158 4.182 4.340 0.001 0.000 0.238 174 R C 2.294 178.564 176.300 -0.050 0.000 1.136 174 R CA 1.682 57.748 56.100 -0.057 0.000 0.959 174 R CB -0.364 29.902 30.300 -0.057 0.000 0.856 174 R HN 0.555 nan 8.270 nan 0.000 0.437 175 N N -0.557 118.063 118.700 -0.132 0.000 2.104 175 N HA -0.197 4.543 4.740 0.001 0.000 0.190 175 N C 1.494 177.017 175.510 0.022 0.000 1.024 175 N CA 1.330 54.310 53.050 -0.115 0.000 0.853 175 N CB -0.124 38.208 38.487 -0.259 0.000 1.008 175 N HN 0.224 nan 8.380 nan 0.000 0.424 176 Y N 1.854 122.129 120.300 -0.041 0.000 2.293 176 Y HA -0.036 4.514 4.550 0.000 0.000 0.291 176 Y C 2.447 178.383 175.900 0.060 0.000 1.137 176 Y CA 0.633 58.733 58.100 -0.000 0.000 1.202 176 Y CB -0.561 37.870 38.460 -0.048 0.000 0.990 176 Y HN 0.152 nan 8.280 nan 0.000 0.537 177 Q N -0.300 119.613 119.800 0.188 0.000 2.119 177 Q HA -0.209 4.131 4.340 0.001 0.000 0.201 177 Q C 2.096 178.213 176.000 0.195 0.000 0.972 177 Q CA 1.500 57.399 55.803 0.159 0.000 0.847 177 Q CB -0.204 28.584 28.738 0.083 0.000 0.903 177 Q HN 0.585 nan 8.270 nan 0.000 0.433 178 Q N -0.105 119.785 119.800 0.149 0.000 2.079 178 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 178 Q C 2.259 178.380 176.000 0.202 0.000 0.974 178 Q CA 1.394 57.285 55.803 0.146 0.000 0.840 178 Q CB -0.000 28.791 28.738 0.089 0.000 0.898 178 Q HN 0.192 nan 8.270 nan 0.000 0.430 179 S N 0.201 116.035 115.700 0.224 0.000 2.368 179 S HA -0.190 4.280 4.470 0.001 0.000 0.225 179 S C 1.653 176.429 174.600 0.292 0.000 1.030 179 S CA 1.224 59.582 58.200 0.264 0.000 0.999 179 S CB -0.390 62.991 63.200 0.302 0.000 0.844 179 S HN 0.433 nan 8.310 nan 0.000 0.459 180 Y N 2.323 122.708 120.300 0.140 0.000 2.145 180 Y HA -0.124 4.426 4.550 0.000 0.000 0.286 180 Y C 2.411 178.354 175.900 0.072 0.000 1.145 180 Y CA 1.090 59.234 58.100 0.074 0.000 1.148 180 Y CB -0.794 37.694 38.460 0.045 0.000 0.981 180 Y HN 0.207 nan 8.280 nan 0.000 0.507 181 A N 0.085 123.001 122.820 0.161 0.000 1.908 181 A HA -0.261 4.060 4.320 0.001 0.000 0.218 181 A C 2.213 179.794 177.584 -0.005 0.000 1.181 181 A CA 1.775 53.843 52.037 0.051 0.000 0.627 181 A CB -1.635 17.441 19.000 0.127 0.000 0.818 181 A HN 0.683 nan 8.150 nan 0.000 0.445 182 F N 0.662 120.593 119.950 -0.033 0.000 2.134 182 F HA -0.158 4.369 4.527 0.001 0.000 0.299 182 F C 2.183 177.936 175.800 -0.078 0.000 1.097 182 F CA 2.045 60.030 58.000 -0.025 0.000 1.264 182 F CB -0.235 38.788 39.000 0.039 0.000 1.001 182 F HN 0.027 nan 8.300 nan 0.000 0.479 183 V N 0.499 120.379 119.914 -0.058 0.000 2.427 183 V HA -0.278 3.842 4.120 0.001 0.000 0.248 183 V C 2.302 178.181 176.094 -0.360 0.000 1.051 183 V CA 2.053 64.217 62.300 -0.228 0.000 1.048 183 V CB -0.764 30.894 31.823 -0.275 0.000 0.666 183 V HN 0.414 nan 8.190 nan 0.000 0.456 184 E N 0.925 120.870 120.200 -0.425 0.000 2.058 184 E HA -0.263 4.088 4.350 0.001 0.000 0.194 184 E C 2.166 178.595 176.600 -0.285 0.000 0.997 184 E CA 1.818 57.990 56.400 -0.380 0.000 0.801 184 E CB -0.284 29.166 29.700 -0.416 0.000 0.746 184 E HN 0.505 nan 8.360 nan 0.000 0.450 185 K N -0.178 120.043 120.400 -0.297 0.000 2.032 185 K HA -0.207 4.114 4.320 0.001 0.000 0.209 185 K C 2.481 178.887 176.600 -0.325 0.000 1.048 185 K CA 1.855 57.975 56.287 -0.278 0.000 0.927 185 K CB -0.139 32.192 32.500 -0.282 0.000 0.712 185 K HN 0.244 nan 8.250 nan 0.000 0.441 186 Q N 0.184 119.704 119.800 -0.467 0.000 2.096 186 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 186 Q C 2.099 177.956 176.000 -0.239 0.000 0.982 186 Q CA 1.239 56.807 55.803 -0.392 0.000 0.850 186 Q CB -0.089 28.394 28.738 -0.425 0.000 0.901 186 Q HN 0.166 nan 8.270 nan 0.000 0.422 187 L N 0.130 121.222 121.223 -0.219 0.000 2.083 187 L HA -0.160 4.181 4.340 0.001 0.000 0.209 187 L C 1.772 178.564 176.870 -0.131 0.000 1.083 187 L CA 1.300 56.046 54.840 -0.155 0.000 0.752 187 L CB -0.324 41.642 42.059 -0.154 0.000 0.899 187 L HN 0.203 nan 8.230 nan 0.000 0.433 188 L N -1.032 120.105 121.223 -0.143 0.000 2.456 188 L HA -0.085 4.256 4.340 0.001 0.000 0.224 188 L C 1.534 178.344 176.870 -0.100 0.000 1.148 188 L CA 1.434 56.208 54.840 -0.110 0.000 0.825 188 L CB -1.180 40.813 42.059 -0.109 0.000 0.937 188 L HN 0.262 nan 8.230 nan 0.000 0.450 189 T N -1.522 112.962 114.554 -0.117 0.000 3.215 189 T HA 0.324 4.674 4.350 0.001 0.000 0.271 189 T C 1.144 175.789 174.700 -0.092 0.000 1.012 189 T CA 0.197 62.236 62.100 -0.102 0.000 0.899 189 T CB 0.076 68.873 68.868 -0.118 0.000 1.089 189 T HN 0.323 nan 8.240 nan 0.000 0.552 190 G N 2.022 110.769 108.800 -0.087 0.000 2.395 190 G HA2 -0.281 3.679 3.960 0.001 0.000 0.300 190 G HA3 -0.281 3.679 3.960 0.001 0.000 0.300 190 G C 0.810 175.663 174.900 -0.079 0.000 0.998 190 G CA 0.789 45.845 45.100 -0.073 0.000 1.046 190 G HN 0.632 nan 8.290 nan 0.000 0.513 191 S N -2.107 113.532 115.700 -0.102 0.000 2.554 191 S HA 0.521 4.991 4.470 0.001 0.000 0.227 191 S C 1.309 175.843 174.600 -0.110 0.000 1.050 191 S CA 1.270 59.403 58.200 -0.112 0.000 0.927 191 S CB 0.410 63.524 63.200 -0.143 0.000 0.859 191 S HN 0.938 nan 8.310 nan 0.000 0.494 192 S N 0.858 116.499 115.700 -0.097 0.000 2.841 192 S HA 0.725 5.195 4.470 0.001 0.000 0.274 192 S C -0.917 173.666 174.600 -0.029 0.000 1.044 192 S CA -0.313 57.858 58.200 -0.048 0.000 0.952 192 S CB 0.938 64.125 63.200 -0.023 0.000 1.331 192 S HN 0.790 nan 8.310 nan 0.000 0.610 193 N N -1.305 117.391 118.700 -0.007 0.000 2.774 193 N HA 0.347 5.087 4.740 0.001 0.000 0.264 193 N C -0.108 175.384 175.510 -0.030 0.000 1.415 193 N CA -0.649 52.394 53.050 -0.012 0.000 0.815 193 N CB 0.947 39.444 38.487 0.016 0.000 1.514 193 N HN 0.265 nan 8.380 nan 0.000 0.523 194 V N 0.097 119.998 119.914 -0.021 0.000 3.041 194 V HA 0.036 4.156 4.120 0.001 0.000 0.260 194 V C 1.512 177.599 176.094 -0.011 0.000 1.105 194 V CA 0.966 63.252 62.300 -0.023 0.000 1.125 194 V CB -0.817 30.998 31.823 -0.013 0.000 0.730 194 V HN 0.634 nan 8.190 nan 0.000 0.479 195 L N 1.158 122.382 121.223 0.002 0.000 2.023 195 L HA 0.123 4.463 4.340 0.001 0.000 0.205 195 L C 2.536 179.410 176.870 0.007 0.000 1.073 195 L CA 2.593 57.444 54.840 0.018 0.000 0.745 195 L CB -1.170 40.913 42.059 0.039 0.000 0.900 195 L HN 0.242 nan 8.230 nan 0.000 0.435 196 A N -0.449 122.356 122.820 -0.024 0.000 1.908 196 A HA -0.236 4.084 4.320 0.001 0.000 0.218 196 A C 2.293 179.716 177.584 -0.269 0.000 1.181 196 A CA 2.142 54.073 52.037 -0.176 0.000 0.627 196 A CB -1.113 17.720 19.000 -0.279 0.000 0.818 196 A HN 0.529 nan 8.150 nan 0.000 0.445 197 L N -0.502 120.621 121.223 -0.168 0.000 2.017 197 L HA -0.131 4.210 4.340 0.001 0.000 0.208 197 L C 2.301 179.200 176.870 0.048 0.000 1.073 197 L CA 2.638 57.408 54.840 -0.117 0.000 0.745 197 L CB -0.451 41.542 42.059 -0.109 0.000 0.894 197 L HN 0.423 nan 8.230 nan 0.000 0.432 198 E N -0.648 119.574 120.200 0.038 0.000 2.106 198 E HA -0.224 4.127 4.350 0.001 0.000 0.192 198 E C 2.184 178.817 176.600 0.055 0.000 0.984 198 E CA 1.304 57.740 56.400 0.061 0.000 0.806 198 E CB -0.104 29.617 29.700 0.036 0.000 0.750 198 E HN 0.614 nan 8.360 nan 0.000 0.458 199 Q N -0.556 119.277 119.800 0.055 0.000 2.084 199 Q HA -0.117 4.223 4.340 0.001 0.000 0.202 199 Q C 2.173 178.224 176.000 0.085 0.000 0.978 199 Q CA 1.562 57.412 55.803 0.079 0.000 0.844 199 Q CB -0.239 28.595 28.738 0.160 0.000 0.898 199 Q HN 0.359 nan 8.270 nan 0.000 0.426 200 A N 0.984 123.880 122.820 0.127 0.000 1.969 200 A HA -0.202 4.119 4.320 0.001 0.000 0.218 200 A C 1.998 179.651 177.584 0.115 0.000 1.169 200 A CA 1.518 53.655 52.037 0.166 0.000 0.635 200 A CB -0.391 18.731 19.000 0.203 0.000 0.810 200 A HN 0.216 nan 8.150 nan 0.000 0.445 201 R N -0.408 120.166 120.500 0.123 0.000 2.062 201 R HA -0.014 4.326 4.340 0.001 0.000 0.229 201 R C 2.251 178.482 176.300 -0.115 0.000 1.128 201 R CA 1.637 57.666 56.100 -0.118 0.000 0.960 201 R CB -0.916 29.339 30.300 -0.075 0.000 0.855 201 R HN 0.366 nan 8.270 nan 0.000 0.432 202 G N 0.422 109.187 108.800 -0.057 0.000 2.529 202 G HA2 -0.307 3.653 3.960 0.001 0.000 0.219 202 G HA3 -0.307 3.653 3.960 0.001 0.000 0.219 202 G C 1.399 176.242 174.900 -0.093 0.000 1.177 202 G CA 1.623 46.687 45.100 -0.060 0.000 0.773 202 G HN 0.348 nan 8.290 nan 0.000 0.573 203 V N -0.619 119.191 119.914 -0.172 0.000 2.759 203 V HA -0.032 4.089 4.120 0.001 0.000 0.256 203 V C 2.638 178.625 176.094 -0.178 0.000 1.080 203 V CA 1.346 63.473 62.300 -0.287 0.000 1.101 203 V CB -0.574 30.803 31.823 -0.743 0.000 0.698 203 V HN 0.406 nan 8.190 nan 0.000 0.477 204 I N 0.479 120.975 120.570 -0.124 0.000 2.179 204 I HA -0.153 4.018 4.170 0.001 0.000 0.242 204 I C 2.900 179.015 176.117 -0.002 0.000 1.088 204 I CA 1.764 63.058 61.300 -0.009 0.000 1.357 204 I CB -0.396 37.554 38.000 -0.084 0.000 1.051 204 I HN 0.302 nan 8.210 nan 0.000 0.409 205 E N 0.657 120.836 120.200 -0.036 0.000 2.072 205 E HA -0.169 4.181 4.350 0.001 0.000 0.191 205 E C 2.349 178.959 176.600 0.018 0.000 0.985 205 E CA 1.723 58.113 56.400 -0.017 0.000 0.801 205 E CB -0.563 29.119 29.700 -0.029 0.000 0.750 205 E HN 0.556 nan 8.360 nan 0.000 0.452 206 S N 0.593 116.309 115.700 0.028 0.000 2.399 206 S HA -0.120 4.350 4.470 0.001 0.000 0.231 206 S C 2.106 176.777 174.600 0.118 0.000 1.022 206 S CA 1.662 59.901 58.200 0.066 0.000 0.983 206 S CB -0.706 62.536 63.200 0.071 0.000 0.803 206 S HN 0.152 nan 8.310 nan 0.000 0.480 207 T N 2.196 116.832 114.554 0.137 0.000 2.821 207 T HA 0.035 4.385 4.350 0.001 0.000 0.267 207 T C 1.943 176.699 174.700 0.094 0.000 1.046 207 T CA 1.110 63.301 62.100 0.152 0.000 1.139 207 T CB -0.254 68.682 68.868 0.114 0.000 0.871 207 T HN 0.442 nan 8.240 nan 0.000 0.454 208 R N 0.941 121.475 120.500 0.058 0.000 2.120 208 R HA -0.043 4.298 4.340 0.001 0.000 0.234 208 R C 2.891 179.216 176.300 0.042 0.000 1.123 208 R CA 1.298 57.419 56.100 0.036 0.000 0.975 208 R CB -0.455 29.854 30.300 0.015 0.000 0.866 208 R HN 0.279 nan 8.270 nan 0.000 0.446 209 S N 0.907 116.637 115.700 0.050 0.000 2.368 209 S HA -0.195 4.275 4.470 0.001 0.000 0.225 209 S C 1.605 176.239 174.600 0.057 0.000 1.030 209 S CA 1.802 60.029 58.200 0.045 0.000 0.999 209 S CB -0.221 63.005 63.200 0.043 0.000 0.844 209 S HN 0.287 nan 8.310 nan 0.000 0.459 210 D N 0.570 121.027 120.400 0.095 0.000 2.117 210 D HA -0.047 4.593 4.640 0.001 0.000 0.197 210 D C 1.857 178.208 176.300 0.084 0.000 0.987 210 D CA 1.248 55.313 54.000 0.109 0.000 0.829 210 D CB -0.311 40.620 40.800 0.218 0.000 0.961 210 D HN 0.505 nan 8.370 nan 0.000 0.460 211 I N 0.476 121.095 120.570 0.082 0.000 2.127 211 I HA -0.308 3.862 4.170 0.001 0.000 0.241 211 I C 2.473 178.608 176.117 0.030 0.000 1.075 211 I CA 1.290 62.623 61.300 0.054 0.000 1.334 211 I CB -0.363 37.661 38.000 0.040 0.000 1.040 211 I HN 0.060 nan 8.210 nan 0.000 0.405 212 A N 0.533 123.368 122.820 0.025 0.000 1.940 212 A HA -0.297 4.024 4.320 0.001 0.000 0.219 212 A C 2.339 179.926 177.584 0.005 0.000 1.176 212 A CA 2.198 54.242 52.037 0.012 0.000 0.631 212 A CB -0.586 18.421 19.000 0.011 0.000 0.814 212 A HN 0.421 nan 8.150 nan 0.000 0.446 213 K N -0.894 119.512 120.400 0.010 0.000 2.057 213 K HA -0.169 4.151 4.320 0.001 0.000 0.207 213 K C 2.115 178.706 176.600 -0.016 0.000 1.049 213 K CA 1.303 57.589 56.287 -0.002 0.000 0.931 213 K CB -0.098 32.404 32.500 0.002 0.000 0.714 213 K HN 0.239 nan 8.250 nan 0.000 0.440 214 R N 0.911 121.406 120.500 -0.008 0.000 2.115 214 R HA -0.075 4.266 4.340 0.001 0.000 0.230 214 R C 2.283 178.557 176.300 -0.043 0.000 1.111 214 R CA 1.395 57.479 56.100 -0.026 0.000 0.976 214 R CB -0.637 29.661 30.300 -0.003 0.000 0.870 214 R HN 0.489 nan 8.270 nan 0.000 0.445 215 Q N -0.391 119.393 119.800 -0.026 0.000 2.096 215 Q HA -0.096 4.245 4.340 0.001 0.000 0.204 215 Q C 2.164 178.135 176.000 -0.049 0.000 0.982 215 Q CA 1.657 57.439 55.803 -0.035 0.000 0.850 215 Q CB -0.431 28.298 28.738 -0.015 0.000 0.901 215 Q HN 0.486 nan 8.270 nan 0.000 0.422 216 G N 1.116 109.893 108.800 -0.038 0.000 2.491 216 G HA2 -0.313 3.647 3.960 0.001 0.000 0.218 216 G HA3 -0.313 3.647 3.960 0.001 0.000 0.218 216 G C 1.073 175.938 174.900 -0.059 0.000 1.180 216 G CA 1.066 46.142 45.100 -0.040 0.000 0.774 216 G HN 0.345 nan 8.290 nan 0.000 0.562 217 E N -0.304 119.854 120.200 -0.070 0.000 2.110 217 E HA -0.098 4.252 4.350 0.001 0.000 0.193 217 E C 2.382 178.905 176.600 -0.129 0.000 0.988 217 E CA 0.705 57.050 56.400 -0.092 0.000 0.804 217 E CB -0.185 29.457 29.700 -0.097 0.000 0.745 217 E HN 0.326 nan 8.360 nan 0.000 0.458 218 L N 1.153 122.284 121.223 -0.152 0.000 1.989 218 L HA -0.173 4.168 4.340 0.001 0.000 0.211 218 L C 2.225 178.987 176.870 -0.179 0.000 1.071 218 L CA 2.247 56.949 54.840 -0.230 0.000 0.749 218 L CB -0.854 41.044 42.059 -0.269 0.000 0.890 218 L HN 0.055 nan 8.230 nan 0.000 0.431 219 A N -1.210 121.540 122.820 -0.117 0.000 1.908 219 A HA -0.283 4.037 4.320 0.001 0.000 0.218 219 A C 2.209 179.753 177.584 -0.067 0.000 1.181 219 A CA 1.978 53.968 52.037 -0.078 0.000 0.627 219 A CB -0.641 18.329 19.000 -0.049 0.000 0.818 219 A HN 0.691 nan 8.150 nan 0.000 0.445 220 Q N -0.845 118.915 119.800 -0.068 0.000 2.124 220 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 220 Q C 2.428 178.390 176.000 -0.064 0.000 0.977 220 Q CA 1.312 57.083 55.803 -0.054 0.000 0.850 220 Q CB -0.369 28.339 28.738 -0.051 0.000 0.901 220 Q HN 0.699 nan 8.270 nan 0.000 0.429 221 A N 1.300 124.062 122.820 -0.097 0.000 1.902 221 A HA -0.212 4.108 4.320 0.001 0.000 0.217 221 A C 1.762 179.291 177.584 -0.091 0.000 1.181 221 A CA 1.523 53.496 52.037 -0.107 0.000 0.623 221 A CB -0.444 18.457 19.000 -0.166 0.000 0.818 221 A HN 0.280 nan 8.150 nan 0.000 0.443 222 N N 0.763 119.403 118.700 -0.099 0.000 2.084 222 N HA -0.125 4.616 4.740 0.001 0.000 0.190 222 N C 1.402 176.888 175.510 -0.041 0.000 1.030 222 N CA 1.439 54.447 53.050 -0.070 0.000 0.849 222 N CB -0.552 37.895 38.487 -0.065 0.000 1.012 222 N HN 0.465 nan 8.380 nan 0.000 0.423 223 N N 1.041 119.726 118.700 -0.026 0.000 2.166 223 N HA -0.058 4.683 4.740 0.001 0.000 0.186 223 N C 1.577 177.080 175.510 -0.013 0.000 1.019 223 N CA 1.038 54.089 53.050 0.002 0.000 0.856 223 N CB -0.321 38.173 38.487 0.012 0.000 0.993 223 N HN 0.237 nan 8.380 nan 0.000 0.426 224 A N 0.821 123.625 122.820 -0.026 0.000 1.930 224 A HA -0.045 4.275 4.320 0.001 0.000 0.217 224 A C 2.202 179.760 177.584 -0.044 0.000 1.175 224 A CA 0.766 52.787 52.037 -0.026 0.000 0.627 224 A CB -0.586 18.402 19.000 -0.021 0.000 0.815 224 A HN 0.191 nan 8.150 nan 0.000 0.443 225 L N -0.021 121.170 121.223 -0.053 0.000 2.056 225 L HA -0.172 4.169 4.340 0.001 0.000 0.207 225 L C 2.466 179.265 176.870 -0.119 0.000 1.078 225 L CA 2.147 56.947 54.840 -0.066 0.000 0.749 225 L CB -0.758 41.274 42.059 -0.045 0.000 0.901 225 L HN 0.494 nan 8.230 nan 0.000 0.433 226 Q N -1.262 118.450 119.800 -0.147 0.000 2.119 226 Q HA -0.204 4.136 4.340 0.001 0.000 0.201 226 Q C 2.173 177.954 176.000 -0.364 0.000 0.972 226 Q CA 1.431 57.046 55.803 -0.314 0.000 0.847 226 Q CB -0.300 28.240 28.738 -0.330 0.000 0.903 226 Q HN 0.430 nan 8.270 nan 0.000 0.433 227 L N 0.721 121.845 121.223 -0.165 0.000 2.012 227 L HA -0.188 4.153 4.340 0.001 0.000 0.210 227 L C 1.954 178.762 176.870 -0.103 0.000 1.073 227 L CA 1.647 56.434 54.840 -0.088 0.000 0.748 227 L CB -0.420 41.630 42.059 -0.015 0.000 0.891 227 L HN 0.184 nan 8.230 nan 0.000 0.431 228 L N -1.377 119.786 121.223 -0.100 0.000 2.093 228 L HA -0.217 4.123 4.340 0.001 0.000 0.208 228 L C 2.428 179.225 176.870 -0.122 0.000 1.085 228 L CA 1.080 55.865 54.840 -0.092 0.000 0.755 228 L CB -0.409 41.603 42.059 -0.078 0.000 0.904 228 L HN 0.303 nan 8.230 nan 0.000 0.435 229 L N -0.569 120.557 121.223 -0.162 0.000 2.141 229 L HA -0.036 4.305 4.340 0.001 0.000 0.209 229 L C 1.606 178.377 176.870 -0.164 0.000 1.094 229 L CA 0.806 55.543 54.840 -0.171 0.000 0.763 229 L CB -0.883 41.057 42.059 -0.197 0.000 0.908 229 L HN 0.519 nan 8.230 nan 0.000 0.437 230 G N 0.794 109.474 108.800 -0.200 0.000 2.198 230 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 230 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 230 G C 0.193 174.997 174.900 -0.160 0.000 1.025 230 G CA 0.500 45.517 45.100 -0.138 0.000 0.769 230 G HN 0.545 nan 8.290 nan 0.000 0.507 231 S N -1.754 113.719 115.700 -0.379 0.000 2.579 231 S HA 0.728 5.198 4.470 0.001 0.000 0.272 231 S C -0.601 173.693 174.600 -0.511 0.000 1.141 231 S CA -0.841 57.213 58.200 -0.244 0.000 0.843 231 S CB 1.496 64.646 63.200 -0.083 0.000 1.122 231 S HN 0.558 nan 8.310 nan 0.000 0.468 232 Y N 0.317 120.612 120.300 -0.008 0.000 2.696 232 Y HA 0.475 5.025 4.550 0.001 0.000 0.255 232 Y C 1.330 177.228 175.900 -0.003 0.000 1.103 232 Y CA -0.642 57.455 58.100 -0.006 0.000 1.126 232 Y CB 0.543 38.999 38.460 -0.005 0.000 1.197 232 Y HN 1.000 nan 8.280 nan 0.000 0.574 233 G N 0.619 109.462 108.800 0.072 0.000 2.653 233 G HA2 0.138 4.098 3.960 0.001 0.000 0.265 233 G HA3 0.138 4.098 3.960 0.001 0.000 0.265 233 G C -0.093 174.829 174.900 0.038 0.000 1.237 233 G CA -0.686 44.444 45.100 0.050 0.000 0.946 233 G HN 0.098 nan 8.290 nan 0.000 0.522 234 K N -0.704 119.716 120.400 0.032 0.000 2.469 234 K HA 0.068 4.388 4.320 0.001 0.000 0.274 234 K C 0.127 176.744 176.600 0.029 0.000 0.983 234 K CA 0.238 56.545 56.287 0.033 0.000 0.974 234 K CB 0.454 32.972 32.500 0.030 0.000 0.913 234 K HN 0.185 nan 8.250 nan 0.000 0.493 235 L N 3.868 125.117 121.223 0.044 0.000 2.421 235 L HA 0.284 4.624 4.340 0.001 0.000 0.263 235 L C -1.931 174.992 176.870 0.088 0.000 1.122 235 L CA -2.149 52.724 54.840 0.056 0.000 0.804 235 L CB 0.576 42.669 42.059 0.058 0.000 1.150 235 L HN 0.461 nan 8.230 nan 0.000 0.457 236 P HA 0.085 nan 4.420 nan 0.000 0.269 236 P C -1.146 176.267 177.300 0.188 0.000 1.209 236 P CA -0.221 62.967 63.100 0.146 0.000 0.776 236 P CB 0.441 32.297 31.700 0.260 0.000 0.876 237 Q N 0.776 120.615 119.800 0.065 0.000 2.237 237 Q HA 0.546 4.886 4.340 0.001 0.000 0.219 237 Q C 0.114 175.867 176.000 -0.412 0.000 0.999 237 Q CA -0.853 54.889 55.803 -0.101 0.000 0.959 237 Q CB 0.431 29.103 28.738 -0.111 0.000 1.173 237 Q HN 0.521 nan 8.270 nan 0.000 0.527 238 A N 1.325 123.472 122.820 -1.121 0.000 2.546 238 A HA 0.175 4.495 4.320 0.001 0.000 0.243 238 A C -0.339 177.032 177.584 -0.356 0.000 1.063 238 A CA 0.193 51.599 52.037 -1.052 0.000 0.757 238 A CB -0.190 18.199 19.000 -1.018 0.000 0.991 238 A HN 0.607 nan 8.150 nan 0.000 0.503 239 Q N 0.878 120.578 119.800 -0.166 0.000 2.528 239 Q HA 0.659 4.999 4.340 0.001 0.000 0.289 239 Q C -0.368 175.627 176.000 -0.008 0.000 1.091 239 Q CA -0.697 55.074 55.803 -0.053 0.000 0.797 239 Q CB 1.242 29.995 28.738 0.025 0.000 1.466 239 Q HN 0.489 nan 8.270 nan 0.000 0.436 240 T N 0.642 115.204 114.554 0.013 0.000 2.814 240 T HA 0.386 4.736 4.350 0.001 0.000 0.297 240 T C -1.061 173.687 174.700 0.079 0.000 0.956 240 T CA -0.225 61.895 62.100 0.034 0.000 1.123 240 T CB 0.295 69.177 68.868 0.023 0.000 0.902 240 T HN 0.392 nan 8.240 nan 0.000 0.528 241 V N 6.365 126.339 119.914 0.100 0.000 2.709 241 V HA 0.684 4.805 4.120 0.001 0.000 0.308 241 V C -0.592 175.572 176.094 0.116 0.000 1.062 241 V CA -0.693 61.705 62.300 0.163 0.000 0.901 241 V CB 2.212 34.193 31.823 0.264 0.000 1.003 241 V HN 1.131 nan 8.190 nan 0.000 0.425 242 N N 1.583 120.342 118.700 0.098 0.000 3.243 242 N HA 0.254 4.994 4.740 0.001 0.000 0.280 242 N C 0.660 176.167 175.510 -0.004 0.000 1.545 242 N CA -0.110 52.963 53.050 0.039 0.000 0.854 242 N CB 0.962 39.465 38.487 0.027 0.000 1.612 242 N HN 0.346 nan 8.380 nan 0.000 0.577 243 S N -1.835 113.847 115.700 -0.030 0.000 2.465 243 S HA -0.130 4.340 4.470 0.001 0.000 0.241 243 S C 0.326 174.880 174.600 -0.077 0.000 1.000 243 S CA 1.223 59.383 58.200 -0.067 0.000 0.964 243 S CB -0.525 62.642 63.200 -0.056 0.000 0.763 243 S HN 0.571 nan 8.310 nan 0.000 0.512 244 D N 1.206 121.580 120.400 -0.043 0.000 2.340 244 D HA 0.207 4.847 4.640 0.001 0.000 0.220 244 D C 1.489 177.767 176.300 -0.037 0.000 1.039 244 D CA 0.282 54.254 54.000 -0.046 0.000 0.866 244 D CB -0.143 40.644 40.800 -0.021 0.000 0.913 244 D HN 0.376 nan 8.370 nan 0.000 0.523 245 S N 0.045 115.742 115.700 -0.004 0.000 2.442 245 S HA -0.050 4.420 4.470 0.001 0.000 0.236 245 S C 0.606 175.201 174.600 -0.009 0.000 1.007 245 S CA 0.512 58.763 58.200 0.085 0.000 0.965 245 S CB 0.299 63.652 63.200 0.256 0.000 0.773 245 S HN 0.105 nan 8.310 nan 0.000 0.504 246 L N 0.642 121.736 121.223 -0.214 0.000 2.354 246 L HA 0.457 4.797 4.340 0.001 0.000 0.269 246 L C 0.038 176.611 176.870 -0.494 0.000 1.005 246 L CA -0.519 53.988 54.840 -0.554 0.000 0.819 246 L CB 1.453 43.076 42.059 -0.727 0.000 1.311 246 L HN -0.036 nan 8.230 nan 0.000 0.423 247 Q N 1.593 121.004 119.800 -0.648 0.000 2.681 247 Q HA 0.295 4.636 4.340 0.001 0.000 0.222 247 Q C -0.267 175.589 176.000 -0.240 0.000 1.258 247 Q CA -0.332 55.272 55.803 -0.331 0.000 1.014 247 Q CB 0.506 29.120 28.738 -0.207 0.000 1.384 247 Q HN 0.727 nan 8.270 nan 0.000 0.570 248 S N 1.230 116.832 115.700 -0.162 0.000 2.552 248 S HA 0.107 4.577 4.470 0.001 0.000 0.289 248 S C 0.461 175.123 174.600 0.103 0.000 1.304 248 S CA -0.609 57.591 58.200 0.001 0.000 1.063 248 S CB 0.571 63.748 63.200 -0.038 0.000 0.848 248 S HN 0.495 nan 8.310 nan 0.000 0.499 249 V N 1.263 121.297 119.914 0.200 0.000 2.617 249 V HA 0.244 4.364 4.120 0.001 0.000 0.304 249 V C 0.277 176.397 176.094 0.043 0.000 1.040 249 V CA -0.200 62.202 62.300 0.169 0.000 1.149 249 V CB -0.668 31.241 31.823 0.143 0.000 0.914 249 V HN 0.864 nan 8.190 nan 0.000 0.487 250 K N 5.250 125.687 120.400 0.062 0.000 2.235 250 K HA 0.739 5.059 4.320 0.001 0.000 0.266 250 K C -1.028 175.492 176.600 -0.132 0.000 0.980 250 K CA -0.523 55.759 56.287 -0.008 0.000 0.849 250 K CB 1.748 34.275 32.500 0.045 0.000 1.098 250 K HN 0.664 nan 8.250 nan 0.000 0.445 251 L N 3.921 125.024 121.223 -0.199 0.000 2.362 251 L HA 0.466 4.806 4.340 0.001 0.000 0.275 251 L C -2.149 174.637 176.870 -0.141 0.000 0.998 251 L CA -2.357 52.288 54.840 -0.324 0.000 0.820 251 L CB 1.187 43.020 42.059 -0.378 0.000 1.270 251 L HN 0.404 nan 8.230 nan 0.000 0.415 252 P HA 0.046 nan 4.420 nan 0.000 0.269 252 P C 0.441 177.731 177.300 -0.016 0.000 1.211 252 P CA -0.149 62.942 63.100 -0.014 0.000 0.781 252 P CB 0.784 32.502 31.700 0.029 0.000 0.877 253 A N 1.908 124.729 122.820 0.001 0.000 1.969 253 A HA 0.046 4.366 4.320 0.001 0.000 0.218 253 A C 1.694 179.292 177.584 0.024 0.000 1.169 253 A CA 1.672 53.713 52.037 0.006 0.000 0.635 253 A CB -1.054 17.950 19.000 0.008 0.000 0.810 253 A HN 0.649 nan 8.150 nan 0.000 0.445 254 G N -0.666 108.153 108.800 0.031 0.000 4.098 254 G HA2 0.431 4.392 3.960 0.001 0.000 0.300 254 G HA3 0.431 4.392 3.960 0.001 0.000 0.300 254 G C -0.020 174.916 174.900 0.060 0.000 1.187 254 G CA -0.459 44.666 45.100 0.043 0.000 0.964 254 G HN 0.311 nan 8.290 nan 0.000 0.559 255 L N 1.955 123.228 121.223 0.083 0.000 2.640 255 L HA 0.184 4.524 4.340 0.001 0.000 0.280 255 L C 0.861 177.814 176.870 0.139 0.000 1.229 255 L CA -0.033 54.883 54.840 0.126 0.000 0.919 255 L CB 0.410 42.552 42.059 0.139 0.000 1.168 255 L HN 0.112 nan 8.230 nan 0.000 0.496 256 S N 2.975 118.730 115.700 0.092 0.000 2.564 256 S HA 0.131 4.601 4.470 0.001 0.000 0.278 256 S C 1.391 175.967 174.600 -0.040 0.000 1.333 256 S CA 0.098 58.305 58.200 0.012 0.000 1.048 256 S CB 0.882 64.098 63.200 0.027 0.000 0.900 256 S HN 0.829 nan 8.310 nan 0.000 0.505 257 S N 3.390 118.942 115.700 -0.247 0.000 2.440 257 S HA -0.149 4.322 4.470 0.001 0.000 0.238 257 S C 1.758 176.334 174.600 -0.039 0.000 1.010 257 S CA 1.299 59.300 58.200 -0.333 0.000 0.972 257 S CB -0.405 62.642 63.200 -0.255 0.000 0.774 257 S HN 0.816 nan 8.310 nan 0.000 0.501 258 Q N 0.941 120.738 119.800 -0.005 0.000 2.297 258 Q HA -0.035 4.305 4.340 0.001 0.000 0.208 258 Q C 1.835 177.878 176.000 0.073 0.000 0.981 258 Q CA 0.834 56.657 55.803 0.034 0.000 0.876 258 Q CB -0.542 28.214 28.738 0.030 0.000 0.921 258 Q HN 0.615 nan 8.270 nan 0.000 0.446 259 I N -0.624 120.017 120.570 0.119 0.000 2.335 259 I HA -0.273 3.897 4.170 0.001 0.000 0.251 259 I C 1.367 177.556 176.117 0.119 0.000 1.129 259 I CA 1.151 62.536 61.300 0.141 0.000 1.402 259 I CB 0.012 38.142 38.000 0.217 0.000 1.069 259 I HN 0.258 nan 8.210 nan 0.000 0.424 260 L N -0.279 121.029 121.223 0.142 0.000 2.131 260 L HA -0.207 4.133 4.340 0.001 0.000 0.210 260 L C 2.225 179.124 176.870 0.047 0.000 1.092 260 L CA 1.060 55.965 54.840 0.108 0.000 0.759 260 L CB -0.718 41.419 42.059 0.131 0.000 0.903 260 L HN 0.293 nan 8.230 nan 0.000 0.435 261 L N -0.573 120.677 121.223 0.046 0.000 2.551 261 L HA -0.116 4.224 4.340 0.001 0.000 0.228 261 L C 2.258 179.148 176.870 0.033 0.000 1.153 261 L CA 0.308 55.172 54.840 0.040 0.000 0.851 261 L CB -0.407 41.692 42.059 0.067 0.000 0.959 261 L HN 0.363 nan 8.230 nan 0.000 0.451 262 Q N 0.099 119.916 119.800 0.028 0.000 2.398 262 Q HA 0.096 4.436 4.340 0.001 0.000 0.204 262 Q C 0.608 176.608 176.000 -0.000 0.000 0.932 262 Q CA 0.227 56.038 55.803 0.012 0.000 0.916 262 Q CB 0.175 28.919 28.738 0.009 0.000 1.024 262 Q HN 0.474 nan 8.270 nan 0.000 0.504 263 R N 1.390 121.890 120.500 -0.000 0.000 2.698 263 R HA -0.028 4.312 4.340 0.001 0.000 0.266 263 R C -1.517 174.782 176.300 -0.003 0.000 1.026 263 R CA -1.039 55.054 56.100 -0.011 0.000 1.102 263 R CB -0.059 30.235 30.300 -0.010 0.000 0.978 263 R HN -0.067 nan 8.270 nan 0.000 0.436 264 P HA -0.187 nan 4.420 nan 0.000 0.216 264 P C 0.536 177.848 177.300 0.020 0.000 1.153 264 P CA 1.298 64.404 63.100 0.009 0.000 0.848 264 P CB 0.084 31.787 31.700 0.004 0.000 0.787 265 D N -0.645 119.763 120.400 0.013 0.000 2.218 265 D HA -0.147 4.493 4.640 0.001 0.000 0.204 265 D C 1.687 177.998 176.300 0.017 0.000 0.976 265 D CA 1.160 55.171 54.000 0.017 0.000 0.853 265 D CB -0.958 39.848 40.800 0.010 0.000 0.939 265 D HN 0.107 nan 8.370 nan 0.000 0.481 266 I N 0.345 120.916 120.570 0.002 0.000 2.333 266 I HA -0.039 4.131 4.170 0.001 0.000 0.246 266 I C 2.558 178.708 176.117 0.055 0.000 1.106 266 I CA 0.558 61.849 61.300 -0.015 0.000 1.411 266 I CB -0.737 37.227 38.000 -0.061 0.000 1.082 266 I HN 0.047 nan 8.210 nan 0.000 0.420 267 M N 0.269 119.895 119.600 0.044 0.000 2.159 267 M HA -0.229 4.251 4.480 0.001 0.000 0.263 267 M C 2.188 178.536 176.300 0.079 0.000 1.063 267 M CA 1.595 56.914 55.300 0.032 0.000 1.110 267 M CB -0.454 32.168 32.600 0.036 0.000 1.374 267 M HN 0.249 nan 8.290 nan 0.000 0.411 268 E N 0.823 121.088 120.200 0.107 0.000 2.058 268 E HA -0.226 4.125 4.350 0.001 0.000 0.194 268 E C 1.957 178.635 176.600 0.130 0.000 0.997 268 E CA 1.554 58.031 56.400 0.129 0.000 0.801 268 E CB -0.019 29.727 29.700 0.077 0.000 0.746 268 E HN 0.478 nan 8.360 nan 0.000 0.450 269 A N 1.104 124.002 122.820 0.129 0.000 1.940 269 A HA -0.262 4.059 4.320 0.001 0.000 0.219 269 A C 2.069 179.777 177.584 0.207 0.000 1.176 269 A CA 1.803 53.950 52.037 0.182 0.000 0.631 269 A CB -0.641 18.490 19.000 0.218 0.000 0.814 269 A HN 0.519 nan 8.150 nan 0.000 0.446 270 E N -0.913 119.387 120.200 0.167 0.000 2.051 270 E HA -0.255 4.095 4.350 0.001 0.000 0.192 270 E C 1.769 178.293 176.600 -0.126 0.000 0.991 270 E CA 1.418 57.823 56.400 0.008 0.000 0.799 270 E CB -0.244 29.392 29.700 -0.108 0.000 0.748 270 E HN 0.828 nan 8.360 nan 0.000 0.449 271 H N -0.535 118.519 119.070 -0.027 0.000 2.387 271 H HA -0.038 4.519 4.556 0.001 0.000 0.299 271 H C 1.958 177.277 175.328 -0.015 0.000 1.090 271 H CA 1.212 57.223 56.048 -0.060 0.000 1.332 271 H CB 0.015 29.735 29.762 -0.071 0.000 1.386 271 H HN 0.299 nan 8.280 nan 0.000 0.516 272 A N 0.685 123.584 122.820 0.131 0.000 1.933 272 A HA -0.137 4.184 4.320 0.001 0.000 0.218 272 A C 2.160 179.795 177.584 0.086 0.000 1.175 272 A CA 1.157 53.254 52.037 0.100 0.000 0.628 272 A CB -0.520 18.539 19.000 0.098 0.000 0.814 272 A HN 0.309 nan 8.150 nan 0.000 0.444 273 L N -0.458 120.816 121.223 0.085 0.000 2.046 273 L HA -0.089 4.252 4.340 0.001 0.000 0.208 273 L C 2.464 179.396 176.870 0.103 0.000 1.077 273 L CA 1.969 56.861 54.840 0.087 0.000 0.747 273 L CB -0.673 41.441 42.059 0.092 0.000 0.896 273 L HN 0.448 nan 8.230 nan 0.000 0.432 274 M N -1.389 118.254 119.600 0.073 0.000 2.175 274 M HA -0.149 4.331 4.480 0.001 0.000 0.264 274 M C 2.259 178.597 176.300 0.064 0.000 1.063 274 M CA 1.617 56.951 55.300 0.056 0.000 1.119 274 M CB -0.573 32.002 32.600 -0.042 0.000 1.377 274 M HN 0.360 nan 8.290 nan 0.000 0.415 275 A N 0.575 123.434 122.820 0.066 0.000 1.940 275 A HA -0.088 4.232 4.320 0.001 0.000 0.219 275 A C 2.371 179.993 177.584 0.065 0.000 1.176 275 A CA 2.026 54.102 52.037 0.065 0.000 0.631 275 A CB -0.866 18.174 19.000 0.068 0.000 0.814 275 A HN 0.506 nan 8.150 nan 0.000 0.446 276 A N 0.002 122.861 122.820 0.065 0.000 1.929 276 A HA -0.153 4.168 4.320 0.001 0.000 0.216 276 A C 1.866 179.484 177.584 0.058 0.000 1.176 276 A CA 1.456 53.529 52.037 0.059 0.000 0.628 276 A CB -0.777 18.256 19.000 0.054 0.000 0.816 276 A HN 0.716 nan 8.150 nan 0.000 0.444 277 N N 0.233 118.972 118.700 0.064 0.000 2.104 277 N HA -0.129 4.612 4.740 0.001 0.000 0.190 277 N C 1.926 177.471 175.510 0.060 0.000 1.024 277 N CA 1.025 54.113 53.050 0.062 0.000 0.853 277 N CB -0.223 38.313 38.487 0.082 0.000 1.008 277 N HN 0.507 nan 8.380 nan 0.000 0.424 278 A N 1.369 124.226 122.820 0.062 0.000 1.930 278 A HA -0.096 4.224 4.320 0.001 0.000 0.217 278 A C 1.885 179.508 177.584 0.064 0.000 1.175 278 A CA 1.199 53.273 52.037 0.061 0.000 0.627 278 A CB -0.282 18.755 19.000 0.062 0.000 0.815 278 A HN 0.221 nan 8.150 nan 0.000 0.443 279 N N 0.073 118.811 118.700 0.063 0.000 2.309 279 N HA -0.042 4.698 4.740 0.001 0.000 0.182 279 N C 1.548 177.098 175.510 0.067 0.000 1.018 279 N CA 1.072 54.160 53.050 0.063 0.000 0.876 279 N CB -0.364 38.158 38.487 0.058 0.000 0.972 279 N HN 0.582 nan 8.380 nan 0.000 0.434 280 I N 0.333 120.942 120.570 0.064 0.000 2.252 280 I HA -0.150 4.021 4.170 0.001 0.000 0.245 280 I C 2.402 178.569 176.117 0.084 0.000 1.102 280 I CA 1.105 62.447 61.300 0.070 0.000 1.385 280 I CB -0.584 37.450 38.000 0.056 0.000 1.064 280 I HN 0.117 nan 8.210 nan 0.000 0.414 281 G N 0.637 109.481 108.800 0.075 0.000 2.440 281 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 281 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 281 G C 1.859 176.818 174.900 0.099 0.000 1.154 281 G CA 0.927 46.074 45.100 0.079 0.000 0.767 281 G HN 0.495 nan 8.290 nan 0.000 0.552 282 A N 1.140 124.013 122.820 0.089 0.000 1.877 282 A HA 0.261 4.581 4.320 0.001 0.000 0.216 282 A C 2.832 180.479 177.584 0.105 0.000 1.186 282 A CA 2.361 54.452 52.037 0.090 0.000 0.620 282 A CB -0.833 18.210 19.000 0.072 0.000 0.822 282 A HN 0.840 nan 8.150 nan 0.000 0.443 283 A N -0.350 122.535 122.820 0.108 0.000 1.933 283 A HA -0.142 4.179 4.320 0.001 0.000 0.218 283 A C 2.230 179.954 177.584 0.234 0.000 1.175 283 A CA 1.484 53.596 52.037 0.125 0.000 0.628 283 A CB -0.443 18.626 19.000 0.116 0.000 0.814 283 A HN 0.551 nan 8.150 nan 0.000 0.444 284 R N -0.499 120.155 120.500 0.258 0.000 2.081 284 R HA -0.089 4.251 4.340 0.001 0.000 0.235 284 R C 2.438 179.027 176.300 0.482 0.000 1.131 284 R CA 1.187 57.512 56.100 0.376 0.000 0.960 284 R CB -0.499 29.943 30.300 0.237 0.000 0.856 284 R HN 0.501 nan 8.270 nan 0.000 0.436 285 A N 1.275 124.280 122.820 0.309 0.000 2.024 285 A HA -0.162 4.158 4.320 0.001 0.000 0.220 285 A C 2.319 180.075 177.584 0.286 0.000 1.164 285 A CA 1.706 53.921 52.037 0.297 0.000 0.643 285 A CB -0.590 18.531 19.000 0.202 0.000 0.806 285 A HN 0.423 nan 8.150 nan 0.000 0.451 286 A N -1.405 121.519 122.820 0.173 0.000 2.070 286 A HA 0.013 4.333 4.320 0.001 0.000 0.220 286 A C 1.743 179.261 177.584 -0.111 0.000 1.159 286 A CA 1.238 53.267 52.037 -0.013 0.000 0.656 286 A CB -0.717 18.196 19.000 -0.145 0.000 0.800 286 A HN 0.497 nan 8.150 nan 0.000 0.453 287 F N -1.631 118.297 119.950 -0.036 0.000 2.661 287 F HA 0.186 4.713 4.527 0.001 0.000 0.298 287 F C 0.404 175.919 175.800 -0.474 0.000 1.137 287 F CA 0.308 58.142 58.000 -0.277 0.000 1.454 287 F CB -0.120 38.623 39.000 -0.428 0.000 1.103 287 F HN 0.074 nan 8.300 nan 0.000 0.577 288 F N -0.264 119.624 119.950 -0.105 0.000 2.497 288 F HA 0.447 4.974 4.527 0.000 0.000 0.331 288 F C -1.967 173.726 175.800 -0.177 0.000 1.060 288 F CA -3.084 54.719 58.000 -0.329 0.000 0.989 288 F CB 0.009 38.401 39.000 -1.014 0.000 1.245 288 F HN -0.398 nan 8.300 nan 0.000 0.486 289 P HA 0.138 nan 4.420 nan 0.000 0.269 289 P C -1.144 176.281 177.300 0.209 0.000 1.215 289 P CA -0.278 62.899 63.100 0.129 0.000 0.780 289 P CB 0.671 32.471 31.700 0.167 0.000 0.898 290 S N 1.373 117.149 115.700 0.126 0.000 2.532 290 S HA 0.667 5.138 4.470 0.001 0.000 0.299 290 S C -0.665 173.952 174.600 0.028 0.000 1.105 290 S CA -0.823 57.441 58.200 0.107 0.000 1.018 290 S CB 0.610 63.849 63.200 0.065 0.000 1.021 290 S HN 0.215 nan 8.310 nan 0.000 0.483 291 I N 3.414 123.970 120.570 -0.024 0.000 2.362 291 I HA 0.421 4.592 4.170 0.001 0.000 0.289 291 I C 0.213 176.249 176.117 -0.135 0.000 0.994 291 I CA -0.402 60.841 61.300 -0.094 0.000 1.158 291 I CB 1.933 39.830 38.000 -0.173 0.000 1.315 291 I HN 0.886 nan 8.210 nan 0.000 0.451 292 S N 6.822 122.454 115.700 -0.113 0.000 2.689 292 S HA 0.835 5.305 4.470 0.001 0.000 0.306 292 S C -0.909 173.625 174.600 -0.110 0.000 1.104 292 S CA -0.822 57.304 58.200 -0.124 0.000 0.973 292 S CB 2.589 65.734 63.200 -0.091 0.000 1.121 292 S HN 0.415 nan 8.310 nan 0.000 0.523 293 L N 1.573 122.746 121.223 -0.082 0.000 2.516 293 L HA 0.676 5.016 4.340 0.001 0.000 0.267 293 L C -0.798 176.029 176.870 -0.072 0.000 0.957 293 L CA 0.006 54.783 54.840 -0.105 0.000 0.860 293 L CB 1.410 43.470 42.059 0.002 0.000 1.265 293 L HN 1.143 nan 8.230 nan 0.000 0.403 294 T N 0.961 115.424 114.554 -0.153 0.000 2.861 294 T HA 0.841 5.191 4.350 0.001 0.000 0.287 294 T C -0.650 173.986 174.700 -0.107 0.000 1.003 294 T CA -0.604 61.449 62.100 -0.078 0.000 0.977 294 T CB 1.679 70.519 68.868 -0.046 0.000 0.996 294 T HN 0.709 nan 8.240 nan 0.000 0.448 295 S N 1.099 116.811 115.700 0.021 0.000 2.541 295 S HA 0.867 5.338 4.470 0.001 0.000 0.280 295 S C -0.422 174.265 174.600 0.145 0.000 1.112 295 S CA -0.309 57.976 58.200 0.141 0.000 0.925 295 S CB 1.278 64.656 63.200 0.298 0.000 1.067 295 S HN 1.434 nan 8.310 nan 0.000 0.479 296 G N 2.961 111.865 108.800 0.174 0.000 2.706 296 G HA2 0.608 4.568 3.960 0.001 0.000 0.297 296 G HA3 0.608 4.568 3.960 0.001 0.000 0.297 296 G C -1.600 173.399 174.900 0.165 0.000 1.403 296 G CA -0.514 44.666 45.100 0.134 0.000 0.954 296 G HN 0.607 nan 8.290 nan 0.000 0.500 297 I N 1.021 121.673 120.570 0.137 0.000 2.412 297 I HA 0.688 4.859 4.170 0.001 0.000 0.296 297 I C 0.192 176.360 176.117 0.085 0.000 0.987 297 I CA -0.593 60.788 61.300 0.136 0.000 1.180 297 I CB 1.348 39.427 38.000 0.131 0.000 1.340 297 I HN 0.450 nan 8.210 nan 0.000 0.455 298 S N 3.706 119.444 115.700 0.062 0.000 2.579 298 S HA 0.845 5.315 4.470 0.001 0.000 0.272 298 S C -0.639 173.958 174.600 -0.004 0.000 1.141 298 S CA -0.314 57.897 58.200 0.019 0.000 0.843 298 S CB 1.904 65.102 63.200 -0.003 0.000 1.122 298 S HN 0.850 nan 8.310 nan 0.000 0.468 299 T N -0.084 114.444 114.554 -0.043 0.000 2.864 299 T HA 0.930 5.280 4.350 0.001 0.000 0.299 299 T C -0.836 173.806 174.700 -0.096 0.000 1.166 299 T CA -0.348 61.705 62.100 -0.078 0.000 1.007 299 T CB 1.263 70.046 68.868 -0.142 0.000 1.219 299 T HN 1.591 nan 8.240 nan 0.000 0.506 300 A N 0.546 123.310 122.820 -0.093 0.000 2.605 300 A HA 0.892 5.212 4.320 0.001 0.000 0.294 300 A C -0.549 176.997 177.584 -0.063 0.000 1.062 300 A CA -0.392 51.598 52.037 -0.079 0.000 0.682 300 A CB 1.314 20.272 19.000 -0.070 0.000 1.278 300 A HN 1.716 nan 8.150 nan 0.000 0.410 301 S N -0.688 114.991 115.700 -0.034 0.000 2.578 301 S HA 0.531 5.001 4.470 0.001 0.000 0.272 301 S C 0.742 175.356 174.600 0.025 0.000 1.145 301 S CA 0.436 58.630 58.200 -0.011 0.000 0.835 301 S CB 1.044 64.238 63.200 -0.011 0.000 1.104 301 S HN 2.030 nan 8.310 nan 0.000 0.458 302 S N 1.062 116.764 115.700 0.002 0.000 2.522 302 S HA 0.170 4.640 4.470 0.001 0.000 0.227 302 S C 0.198 174.852 174.600 0.089 0.000 0.986 302 S CA 0.809 58.992 58.200 -0.027 0.000 0.929 302 S CB -0.630 62.541 63.200 -0.047 0.000 0.769 302 S HN 0.844 nan 8.310 nan 0.000 0.529 303 D N -0.628 119.863 120.400 0.152 0.000 2.552 303 D HA 0.372 5.012 4.640 0.001 0.000 0.239 303 D C 0.464 176.787 176.300 0.038 0.000 1.139 303 D CA -0.975 53.135 54.000 0.183 0.000 0.914 303 D CB 0.567 41.421 40.800 0.089 0.000 1.461 303 D HN -0.080 nan 8.370 nan 0.000 0.462 304 L N 1.112 122.227 121.223 -0.179 0.000 2.156 304 L HA -0.077 4.263 4.340 0.001 0.000 0.208 304 L C 2.386 179.183 176.870 -0.121 0.000 1.095 304 L CA 2.034 56.659 54.840 -0.358 0.000 0.770 304 L CB -1.185 40.601 42.059 -0.456 0.000 0.914 304 L HN 0.693 nan 8.230 nan 0.000 0.439 305 S N -1.157 114.514 115.700 -0.050 0.000 2.348 305 S HA -0.165 4.305 4.470 0.001 0.000 0.221 305 S C 1.747 176.358 174.600 0.018 0.000 1.033 305 S CA 1.249 59.449 58.200 -0.001 0.000 1.010 305 S CB -1.015 62.190 63.200 0.008 0.000 0.891 305 S HN 0.519 nan 8.310 nan 0.000 0.442 306 S N 1.184 116.887 115.700 0.005 0.000 2.763 306 S HA 0.349 4.819 4.470 0.001 0.000 0.237 306 S C 1.206 175.794 174.600 -0.019 0.000 0.966 306 S CA -0.372 57.833 58.200 0.009 0.000 1.017 306 S CB -0.501 62.704 63.200 0.007 0.000 0.780 306 S HN 0.501 nan 8.310 nan 0.000 0.476 307 L N 0.059 121.248 121.223 -0.056 0.000 1.961 307 L HA 0.127 4.467 4.340 0.001 0.000 0.209 307 L C 1.241 177.962 176.870 -0.247 0.000 1.075 307 L CA 1.594 56.309 54.840 -0.209 0.000 0.749 307 L CB -0.337 41.489 42.059 -0.388 0.000 0.890 307 L HN 0.410 nan 8.230 nan 0.000 0.433 308 F N 0.545 120.486 119.950 -0.014 0.000 2.716 308 F HA 0.047 4.574 4.527 0.000 0.000 0.301 308 F C 0.857 176.658 175.800 0.002 0.000 1.210 308 F CA -0.079 57.919 58.000 -0.003 0.000 1.422 308 F CB -1.015 37.980 39.000 -0.008 0.000 1.073 308 F HN 0.170 nan 8.300 nan 0.000 0.525 309 N N 1.382 120.142 118.700 0.101 0.000 2.452 309 N HA 0.265 5.005 4.740 0.001 0.000 0.266 309 N C 0.171 175.717 175.510 0.060 0.000 1.175 309 N CA -0.419 52.674 53.050 0.072 0.000 0.945 309 N CB 0.739 39.249 38.487 0.038 0.000 1.063 309 N HN 0.137 nan 8.380 nan 0.000 0.472 310 A N 2.641 125.501 122.820 0.068 0.000 2.496 310 A HA 0.211 4.532 4.320 0.001 0.000 0.278 310 A C 0.842 178.451 177.584 0.042 0.000 1.137 310 A CA 0.398 52.470 52.037 0.058 0.000 0.805 310 A CB -0.011 19.024 19.000 0.058 0.000 1.077 310 A HN 0.802 nan 8.150 nan 0.000 0.513 311 S N 0.672 116.393 115.700 0.034 0.000 3.070 311 S HA -0.105 4.365 4.470 0.001 0.000 0.092 311 S C 1.444 176.050 174.600 0.010 0.000 0.661 311 S CA 0.506 58.719 58.200 0.022 0.000 1.475 311 S CB -0.951 62.261 63.200 0.019 0.000 0.895 311 S HN 0.680 nan 8.310 nan 0.000 0.321 312 S N 1.462 117.164 115.700 0.004 0.000 2.535 312 S HA 0.374 4.844 4.470 0.001 0.000 0.214 312 S C 0.832 175.421 174.600 -0.018 0.000 0.980 312 S CA 0.369 58.559 58.200 -0.017 0.000 0.907 312 S CB 0.685 63.862 63.200 -0.038 0.000 0.790 312 S HN 0.690 nan 8.310 nan 0.000 0.510 313 G N 1.262 110.068 108.800 0.009 0.000 2.507 313 G HA2 0.630 4.590 3.960 0.001 0.000 0.271 313 G HA3 0.630 4.590 3.960 0.001 0.000 0.271 313 G C -0.702 174.212 174.900 0.024 0.000 1.189 313 G CA -0.310 44.805 45.100 0.026 0.000 0.859 313 G HN 0.230 nan 8.290 nan 0.000 0.542 314 M N 1.576 121.191 119.600 0.024 0.000 2.322 314 M HA 0.274 4.754 4.480 0.001 0.000 0.286 314 M C -0.865 175.461 176.300 0.044 0.000 1.111 314 M CA -0.711 54.574 55.300 -0.026 0.000 0.941 314 M CB 2.746 35.280 32.600 -0.109 0.000 1.671 314 M HN 0.850 nan 8.290 nan 0.000 0.470 315 W N 2.789 124.108 121.300 0.030 0.000 2.390 315 W HA 0.728 5.389 4.660 0.000 0.000 0.362 315 W C -1.381 175.173 176.519 0.058 0.000 1.206 315 W CA -0.500 56.872 57.345 0.044 0.000 1.355 315 W CB 1.022 30.507 29.460 0.041 0.000 1.278 315 W HN 0.762 nan 8.180 nan 0.000 0.653 316 N N 0.587 119.520 118.700 0.388 0.000 2.636 316 N HA 0.388 5.128 4.740 0.001 0.000 0.261 316 N C -2.668 173.135 175.510 0.488 0.000 1.195 316 N CA -0.413 52.693 53.050 0.094 0.000 0.902 316 N CB 2.418 40.896 38.487 -0.016 0.000 1.627 316 N HN 0.514 nan 8.380 nan 0.000 0.491 317 F N 3.735 123.815 119.950 0.218 0.000 2.689 317 F HA 0.558 5.085 4.527 0.000 0.000 0.332 317 F C -1.663 174.214 175.800 0.128 0.000 1.209 317 F CA -0.424 57.720 58.000 0.240 0.000 1.028 317 F CB 0.776 40.001 39.000 0.375 0.000 1.291 317 F HN 0.357 nan 8.300 nan 0.000 0.500 318 I N 7.882 128.206 120.570 -0.409 0.000 2.583 318 I HA 0.312 4.482 4.170 0.001 0.000 0.276 318 I C -2.621 173.293 176.117 -0.339 0.000 1.089 318 I CA -1.708 59.439 61.300 -0.255 0.000 1.103 318 I CB 1.555 39.481 38.000 -0.124 0.000 1.209 318 I HN 0.296 nan 8.210 nan 0.000 0.484 319 P HA 0.314 nan 4.420 nan 0.000 0.279 319 P C -0.958 176.277 177.300 -0.108 0.000 1.239 319 P CA -0.494 62.483 63.100 -0.204 0.000 0.789 319 P CB 1.042 32.680 31.700 -0.103 0.000 0.933 320 K N 2.474 122.819 120.400 -0.092 0.000 2.469 320 K HA 0.659 4.979 4.320 0.001 0.000 0.254 320 K C -1.685 174.886 176.600 -0.049 0.000 0.939 320 K CA -0.911 55.340 56.287 -0.060 0.000 0.812 320 K CB 1.797 34.263 32.500 -0.057 0.000 1.301 320 K HN 0.440 nan 8.250 nan 0.000 0.433 321 I N 2.611 123.164 120.570 -0.028 0.000 2.498 321 I HA 0.323 4.493 4.170 0.001 0.000 0.290 321 I C -1.095 175.019 176.117 -0.004 0.000 1.032 321 I CA -0.430 60.862 61.300 -0.013 0.000 1.073 321 I CB 1.598 39.598 38.000 0.001 0.000 1.251 321 I HN 0.681 nan 8.210 nan 0.000 0.426 322 E N 7.465 127.666 120.200 0.002 0.000 2.179 322 E HA 0.472 4.822 4.350 0.001 0.000 0.275 322 E C -1.336 175.271 176.600 0.012 0.000 0.945 322 E CA -0.802 55.599 56.400 0.001 0.000 0.792 322 E CB 2.779 32.475 29.700 -0.008 0.000 1.125 322 E HN 0.409 nan 8.360 nan 0.000 0.397 323 I N 3.732 124.306 120.570 0.005 0.000 2.448 323 I HA 0.222 4.392 4.170 0.001 0.000 0.281 323 I C -2.410 173.698 176.117 -0.014 0.000 1.027 323 I CA -2.050 59.252 61.300 0.004 0.000 1.111 323 I CB 1.327 39.334 38.000 0.013 0.000 1.236 323 I HN 0.216 nan 8.210 nan 0.000 0.452 324 P HA 0.264 nan 4.420 nan 0.000 0.271 324 P C 0.204 177.484 177.300 -0.032 0.000 1.220 324 P CA -0.096 62.969 63.100 -0.058 0.000 0.768 324 P CB 0.969 32.600 31.700 -0.114 0.000 0.848 325 I N 1.367 121.939 120.570 0.003 0.000 3.534 325 I HA 0.252 4.423 4.170 0.001 0.000 0.251 325 I C 0.413 176.605 176.117 0.126 0.000 1.136 325 I CA 0.652 61.983 61.300 0.052 0.000 1.475 325 I CB -0.549 37.492 38.000 0.068 0.000 1.526 325 I HN 0.201 nan 8.210 nan 0.000 0.454 326 F N 1.974 121.903 119.950 -0.035 0.000 2.539 326 F HA 0.457 4.985 4.527 0.001 0.000 0.318 326 F C -0.627 175.149 175.800 -0.041 0.000 1.135 326 F CA -0.512 57.471 58.000 -0.029 0.000 0.915 326 F CB 1.348 40.336 39.000 -0.020 0.000 1.176 326 F HN -0.054 nan 8.300 nan 0.000 0.440 327 N N 4.097 122.308 118.700 -0.814 0.000 2.387 327 N HA 0.395 5.135 4.740 0.001 0.000 0.259 327 N C -0.072 174.978 175.510 -0.768 0.000 1.369 327 N CA 0.367 53.020 53.050 -0.662 0.000 0.867 327 N CB 1.384 39.661 38.487 -0.350 0.000 1.341 327 N HN 0.866 nan 8.380 nan 0.000 0.495 328 A N 0.142 122.118 122.820 -1.406 0.000 2.860 328 A HA -0.029 4.291 4.320 0.001 0.000 0.267 328 A C 1.512 178.911 177.584 -0.308 0.000 1.421 328 A CA 1.268 52.878 52.037 -0.711 0.000 0.831 328 A CB -1.989 16.803 19.000 -0.347 0.000 1.041 328 A HN 1.037 nan 8.150 nan 0.000 0.623 329 G N -2.231 106.400 108.800 -0.281 0.000 2.143 329 G HA2 -0.348 3.613 3.960 0.001 0.000 0.249 329 G HA3 -0.348 3.613 3.960 0.001 0.000 0.249 329 G C 0.758 175.584 174.900 -0.123 0.000 0.981 329 G CA 1.311 46.338 45.100 -0.122 0.000 0.665 329 G HN 1.072 nan 8.290 nan 0.000 0.528 330 R N -0.054 120.331 120.500 -0.191 0.000 2.080 330 R HA -0.066 4.275 4.340 0.001 0.000 0.236 330 R C 2.400 178.590 176.300 -0.184 0.000 1.137 330 R CA 1.712 57.711 56.100 -0.169 0.000 0.943 330 R CB -0.372 29.813 30.300 -0.191 0.000 0.846 330 R HN 0.397 nan 8.270 nan 0.000 0.431 331 N N 0.455 118.968 118.700 -0.311 0.000 2.166 331 N HA -0.181 4.560 4.740 0.001 0.000 0.186 331 N C 1.802 177.188 175.510 -0.206 0.000 1.019 331 N CA 1.128 53.865 53.050 -0.522 0.000 0.856 331 N CB -0.206 37.515 38.487 -1.276 0.000 0.993 331 N HN 0.176 nan 8.380 nan 0.000 0.426 332 Q N 0.897 120.736 119.800 0.066 0.000 2.119 332 Q HA 0.101 4.442 4.340 0.001 0.000 0.201 332 Q C 1.755 177.829 176.000 0.124 0.000 0.972 332 Q CA 1.540 57.523 55.803 0.300 0.000 0.847 332 Q CB -0.346 28.523 28.738 0.220 0.000 0.903 332 Q HN 0.330 nan 8.270 nan 0.000 0.433 333 A N 0.439 123.280 122.820 0.035 0.000 1.897 333 A HA -0.158 4.162 4.320 0.001 0.000 0.215 333 A C 2.085 179.682 177.584 0.022 0.000 1.181 333 A CA 1.396 53.444 52.037 0.018 0.000 0.620 333 A CB -0.834 18.159 19.000 -0.010 0.000 0.821 333 A HN 0.572 nan 8.150 nan 0.000 0.443 334 N N -0.131 118.571 118.700 0.003 0.000 2.120 334 N HA -0.156 4.584 4.740 0.001 0.000 0.188 334 N C 1.797 177.337 175.510 0.050 0.000 1.024 334 N CA 1.645 54.699 53.050 0.006 0.000 0.852 334 N CB -0.181 38.284 38.487 -0.035 0.000 1.003 334 N HN 0.355 nan 8.380 nan 0.000 0.424 335 L N 2.008 123.294 121.223 0.105 0.000 2.012 335 L HA -0.156 4.185 4.340 0.001 0.000 0.210 335 L C 1.498 178.421 176.870 0.089 0.000 1.073 335 L CA 1.893 56.820 54.840 0.146 0.000 0.748 335 L CB -0.869 41.351 42.059 0.269 0.000 0.891 335 L HN 0.052 nan 8.230 nan 0.000 0.431 336 D N -0.187 120.257 120.400 0.074 0.000 2.123 336 D HA -0.220 4.421 4.640 0.001 0.000 0.196 336 D C 2.327 178.650 176.300 0.037 0.000 0.992 336 D CA 1.948 55.977 54.000 0.047 0.000 0.833 336 D CB -0.245 40.578 40.800 0.038 0.000 0.954 336 D HN 0.453 nan 8.370 nan 0.000 0.455 337 I N 1.092 121.682 120.570 0.035 0.000 2.163 337 I HA -0.306 3.864 4.170 0.001 0.000 0.243 337 I C 2.459 178.597 176.117 0.034 0.000 1.085 337 I CA 1.258 62.576 61.300 0.029 0.000 1.347 337 I CB -0.242 37.772 38.000 0.024 0.000 1.044 337 I HN -0.052 nan 8.210 nan 0.000 0.408 338 A N 0.302 123.147 122.820 0.042 0.000 1.908 338 A HA -0.241 4.080 4.320 0.001 0.000 0.218 338 A C 2.195 179.804 177.584 0.041 0.000 1.181 338 A CA 1.854 53.918 52.037 0.046 0.000 0.627 338 A CB -0.592 18.442 19.000 0.057 0.000 0.818 338 A HN 0.483 nan 8.150 nan 0.000 0.445 339 E N -0.506 119.717 120.200 0.039 0.000 2.107 339 E HA -0.082 4.268 4.350 0.001 0.000 0.191 339 E C 1.835 178.449 176.600 0.023 0.000 0.982 339 E CA 1.032 57.450 56.400 0.029 0.000 0.809 339 E CB -0.231 29.485 29.700 0.026 0.000 0.756 339 E HN 0.699 nan 8.360 nan 0.000 0.459 340 I N 0.711 121.296 120.570 0.024 0.000 2.315 340 I HA -0.221 3.949 4.170 0.001 0.000 0.248 340 I C 2.416 178.547 176.117 0.024 0.000 1.117 340 I CA 0.929 62.242 61.300 0.021 0.000 1.404 340 I CB -0.107 37.905 38.000 0.020 0.000 1.071 340 I HN -0.008 nan 8.210 nan 0.000 0.419 341 R N 0.116 120.633 120.500 0.028 0.000 2.148 341 R HA -0.158 4.182 4.340 0.001 0.000 0.223 341 R C 2.292 178.613 176.300 0.034 0.000 1.088 341 R CA 0.854 56.974 56.100 0.032 0.000 0.985 341 R CB -0.186 30.136 30.300 0.035 0.000 0.880 341 R HN 0.438 nan 8.270 nan 0.000 0.451 342 Q N 0.903 120.721 119.800 0.031 0.000 2.123 342 Q HA -0.178 4.163 4.340 0.001 0.000 0.199 342 Q C 1.718 177.729 176.000 0.019 0.000 0.966 342 Q CA 1.390 57.210 55.803 0.027 0.000 0.845 342 Q CB 0.196 28.948 28.738 0.023 0.000 0.907 342 Q HN 0.438 nan 8.270 nan 0.000 0.439 343 Q N -0.038 119.771 119.800 0.015 0.000 2.170 343 Q HA -0.189 4.151 4.340 0.001 0.000 0.203 343 Q C 2.108 178.121 176.000 0.023 0.000 0.976 343 Q CA 1.400 57.210 55.803 0.012 0.000 0.858 343 Q CB 0.035 28.778 28.738 0.009 0.000 0.907 343 Q HN 0.478 nan 8.270 nan 0.000 0.433 344 Q N -0.289 119.528 119.800 0.029 0.000 2.119 344 Q HA -0.109 4.231 4.340 0.001 0.000 0.201 344 Q C 2.203 178.233 176.000 0.050 0.000 0.972 344 Q CA 1.335 57.160 55.803 0.036 0.000 0.847 344 Q CB 0.087 28.846 28.738 0.035 0.000 0.903 344 Q HN 0.221 nan 8.270 nan 0.000 0.433 345 S N 0.087 115.818 115.700 0.052 0.000 2.382 345 S HA -0.107 4.363 4.470 0.001 0.000 0.228 345 S C 2.073 176.727 174.600 0.089 0.000 1.027 345 S CA 0.909 59.152 58.200 0.071 0.000 0.991 345 S CB -0.115 63.123 63.200 0.063 0.000 0.823 345 S HN 0.147 nan 8.310 nan 0.000 0.469 346 V N 1.477 121.423 119.914 0.054 0.000 2.343 346 V HA -0.139 3.982 4.120 0.001 0.000 0.247 346 V C 2.294 178.459 176.094 0.118 0.000 1.051 346 V CA 1.450 63.781 62.300 0.053 0.000 1.036 346 V CB -0.688 31.135 31.823 -0.001 0.000 0.654 346 V HN 0.346 nan 8.190 nan 0.000 0.451 347 V N 0.709 120.671 119.914 0.080 0.000 2.343 347 V HA -0.283 3.838 4.120 0.001 0.000 0.247 347 V C 2.339 178.485 176.094 0.087 0.000 1.051 347 V CA 2.342 64.686 62.300 0.073 0.000 1.036 347 V CB -0.990 30.860 31.823 0.045 0.000 0.654 347 V HN 0.706 nan 8.190 nan 0.000 0.451 348 N N -0.269 118.488 118.700 0.094 0.000 2.069 348 N HA -0.280 4.461 4.740 0.001 0.000 0.191 348 N C 2.099 177.678 175.510 0.115 0.000 1.031 348 N CA 2.126 55.230 53.050 0.090 0.000 0.852 348 N CB -0.252 38.289 38.487 0.090 0.000 1.018 348 N HN 0.591 nan 8.380 nan 0.000 0.423 349 Y N 1.706 122.021 120.300 0.025 0.000 2.114 349 Y HA -0.209 4.341 4.550 0.000 0.000 0.282 349 Y C 2.216 178.127 175.900 0.018 0.000 1.165 349 Y CA 2.132 60.247 58.100 0.026 0.000 1.148 349 Y CB -0.312 38.166 38.460 0.030 0.000 0.972 349 Y HN 0.209 nan 8.280 nan 0.000 0.504 350 E N -0.238 120.043 120.200 0.135 0.000 2.077 350 E HA -0.277 4.073 4.350 0.001 0.000 0.193 350 E C 2.194 178.767 176.600 -0.045 0.000 0.989 350 E CA 1.536 57.947 56.400 0.019 0.000 0.800 350 E CB -0.229 29.516 29.700 0.075 0.000 0.746 350 E HN 0.658 nan 8.360 nan 0.000 0.452 351 Q N 0.539 120.334 119.800 -0.008 0.000 2.084 351 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 351 Q C 2.034 178.018 176.000 -0.027 0.000 0.978 351 Q CA 1.090 56.888 55.803 -0.008 0.000 0.844 351 Q CB 0.027 28.773 28.738 0.013 0.000 0.898 351 Q HN -0.056 nan 8.270 nan 0.000 0.426 352 K N 0.693 121.061 120.400 -0.054 0.000 2.057 352 K HA -0.060 4.260 4.320 0.001 0.000 0.206 352 K C 1.729 178.277 176.600 -0.086 0.000 1.050 352 K CA 1.101 57.350 56.287 -0.064 0.000 0.935 352 K CB -0.173 32.279 32.500 -0.080 0.000 0.715 352 K HN 0.193 nan 8.250 nan 0.000 0.439 353 I N 0.417 120.887 120.570 -0.166 0.000 2.286 353 I HA -0.281 3.889 4.170 0.001 0.000 0.245 353 I C 2.196 178.309 176.117 -0.006 0.000 1.104 353 I CA 1.100 62.322 61.300 -0.130 0.000 1.397 353 I CB -0.170 37.682 38.000 -0.247 0.000 1.072 353 I HN 0.230 nan 8.210 nan 0.000 0.417 354 Q N 0.360 120.148 119.800 -0.020 0.000 2.124 354 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 354 Q C 2.086 178.149 176.000 0.105 0.000 0.977 354 Q CA 1.533 57.355 55.803 0.032 0.000 0.850 354 Q CB -0.327 28.406 28.738 -0.008 0.000 0.901 354 Q HN 0.520 nan 8.270 nan 0.000 0.429 355 N N 0.407 119.143 118.700 0.059 0.000 2.120 355 N HA -0.160 4.581 4.740 0.001 0.000 0.188 355 N C 1.716 177.273 175.510 0.079 0.000 1.024 355 N CA 1.262 54.349 53.050 0.061 0.000 0.852 355 N CB 0.038 38.543 38.487 0.030 0.000 1.003 355 N HN 0.194 nan 8.380 nan 0.000 0.424 356 A N 0.505 123.372 122.820 0.078 0.000 1.933 356 A HA -0.129 4.191 4.320 0.001 0.000 0.218 356 A C 2.043 179.720 177.584 0.156 0.000 1.175 356 A CA 0.867 52.954 52.037 0.083 0.000 0.628 356 A CB -1.048 17.992 19.000 0.067 0.000 0.814 356 A HN 0.480 nan 8.150 nan 0.000 0.444 357 F N 0.701 120.704 119.950 0.089 0.000 2.134 357 F HA -0.144 4.383 4.527 0.000 0.000 0.299 357 F C 2.245 178.132 175.800 0.145 0.000 1.097 357 F CA 2.187 60.302 58.000 0.191 0.000 1.264 357 F CB -0.041 39.017 39.000 0.095 0.000 1.001 357 F HN 0.199 nan 8.300 nan 0.000 0.479 358 K N 0.564 121.106 120.400 0.237 0.000 2.057 358 K HA -0.221 4.099 4.320 0.001 0.000 0.207 358 K C 1.885 178.476 176.600 -0.015 0.000 1.049 358 K CA 2.010 58.363 56.287 0.110 0.000 0.931 358 K CB -0.284 32.285 32.500 0.114 0.000 0.714 358 K HN 0.410 nan 8.250 nan 0.000 0.440 359 E N 0.139 120.328 120.200 -0.018 0.000 2.077 359 E HA -0.160 4.190 4.350 0.001 0.000 0.193 359 E C 2.039 178.551 176.600 -0.148 0.000 0.989 359 E CA 1.426 57.788 56.400 -0.063 0.000 0.800 359 E CB 0.033 29.708 29.700 -0.042 0.000 0.746 359 E HN 0.105 nan 8.360 nan 0.000 0.452 360 V N 1.318 121.095 119.914 -0.229 0.000 2.358 360 V HA -0.236 3.884 4.120 0.001 0.000 0.246 360 V C 2.315 178.136 176.094 -0.456 0.000 1.047 360 V CA 1.761 63.797 62.300 -0.440 0.000 1.035 360 V CB -0.678 30.662 31.823 -0.805 0.000 0.658 360 V HN 0.311 nan 8.190 nan 0.000 0.452 361 A N -0.079 122.494 122.820 -0.411 0.000 1.877 361 A HA -0.259 4.061 4.320 0.001 0.000 0.216 361 A C 2.015 179.498 177.584 -0.168 0.000 1.186 361 A CA 2.079 53.939 52.037 -0.295 0.000 0.620 361 A CB -0.681 18.158 19.000 -0.270 0.000 0.822 361 A HN 0.519 nan 8.150 nan 0.000 0.443 362 D N 0.037 120.362 120.400 -0.125 0.000 2.104 362 D HA -0.092 4.548 4.640 0.001 0.000 0.194 362 D C 2.260 178.502 176.300 -0.098 0.000 0.994 362 D CA 1.704 55.655 54.000 -0.082 0.000 0.830 362 D CB -0.475 40.293 40.800 -0.054 0.000 0.959 362 D HN 0.412 nan 8.370 nan 0.000 0.452 363 A N 0.489 123.233 122.820 -0.127 0.000 1.933 363 A HA -0.120 4.201 4.320 0.001 0.000 0.218 363 A C 2.433 179.938 177.584 -0.130 0.000 1.175 363 A CA 0.909 52.872 52.037 -0.122 0.000 0.628 363 A CB -0.738 18.182 19.000 -0.134 0.000 0.814 363 A HN 0.217 nan 8.150 nan 0.000 0.444 364 L N -0.810 120.311 121.223 -0.170 0.000 2.017 364 L HA -0.204 4.136 4.340 0.001 0.000 0.208 364 L C 3.103 179.914 176.870 -0.100 0.000 1.073 364 L CA 1.171 55.920 54.840 -0.151 0.000 0.745 364 L CB -0.592 41.355 42.059 -0.187 0.000 0.894 364 L HN 0.427 nan 8.230 nan 0.000 0.432 365 A N -0.367 122.401 122.820 -0.087 0.000 1.902 365 A HA -0.177 4.143 4.320 0.001 0.000 0.217 365 A C 2.167 179.720 177.584 -0.052 0.000 1.181 365 A CA 1.388 53.391 52.037 -0.057 0.000 0.623 365 A CB -0.564 18.410 19.000 -0.044 0.000 0.818 365 A HN 0.264 nan 8.150 nan 0.000 0.443 366 L N -0.066 121.121 121.223 -0.059 0.000 2.141 366 L HA -0.073 4.267 4.340 0.001 0.000 0.209 366 L C 2.501 179.339 176.870 -0.053 0.000 1.094 366 L CA 1.976 56.785 54.840 -0.052 0.000 0.763 366 L CB -0.864 41.162 42.059 -0.055 0.000 0.908 366 L HN 0.578 nan 8.230 nan 0.000 0.437 367 R N -0.818 119.645 120.500 -0.063 0.000 2.083 367 R HA -0.252 4.088 4.340 0.001 0.000 0.237 367 R C 2.236 178.507 176.300 -0.048 0.000 1.137 367 R CA 1.875 57.940 56.100 -0.059 0.000 0.951 367 R CB -0.197 30.062 30.300 -0.068 0.000 0.851 367 R HN 0.323 nan 8.270 nan 0.000 0.434 368 Q N 0.428 120.200 119.800 -0.046 0.000 2.046 368 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 368 Q C 2.140 178.122 176.000 -0.030 0.000 0.975 368 Q CA 2.328 58.109 55.803 -0.036 0.000 0.836 368 Q CB -0.393 28.325 28.738 -0.033 0.000 0.896 368 Q HN 0.330 nan 8.270 nan 0.000 0.428 369 S N -0.902 114.779 115.700 -0.030 0.000 2.356 369 S HA -0.088 4.383 4.470 0.001 0.000 0.223 369 S C 1.810 176.396 174.600 -0.023 0.000 1.032 369 S CA 1.280 59.465 58.200 -0.024 0.000 1.005 369 S CB -0.322 62.864 63.200 -0.024 0.000 0.867 369 S HN 0.484 nan 8.310 nan 0.000 0.449 370 L N 1.055 122.261 121.223 -0.028 0.000 2.093 370 L HA -0.070 4.270 4.340 0.001 0.000 0.208 370 L C 2.309 179.165 176.870 -0.023 0.000 1.085 370 L CA 1.409 56.233 54.840 -0.026 0.000 0.755 370 L CB -0.726 41.311 42.059 -0.038 0.000 0.904 370 L HN 0.403 nan 8.230 nan 0.000 0.435 371 N N -0.301 118.383 118.700 -0.027 0.000 2.142 371 N HA -0.184 4.557 4.740 0.001 0.000 0.186 371 N C 1.305 176.806 175.510 -0.015 0.000 1.023 371 N CA 1.185 54.222 53.050 -0.023 0.000 0.852 371 N CB 0.055 38.526 38.487 -0.026 0.000 0.998 371 N HN 0.268 nan 8.380 nan 0.000 0.424 372 D N 0.721 121.112 120.400 -0.015 0.000 2.144 372 D HA -0.111 4.529 4.640 0.001 0.000 0.200 372 D C 1.852 178.148 176.300 -0.007 0.000 0.978 372 D CA 0.947 54.941 54.000 -0.011 0.000 0.833 372 D CB -0.187 40.605 40.800 -0.014 0.000 0.961 372 D HN 0.343 nan 8.370 nan 0.000 0.470 373 Q N 0.022 119.818 119.800 -0.007 0.000 2.084 373 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 373 Q C 2.397 178.403 176.000 0.010 0.000 0.978 373 Q CA 0.766 56.569 55.803 -0.000 0.000 0.844 373 Q CB 0.035 28.773 28.738 -0.001 0.000 0.898 373 Q HN 0.322 nan 8.270 nan 0.000 0.426 374 I N 0.123 120.697 120.570 0.006 0.000 2.142 374 I HA -0.301 3.870 4.170 0.001 0.000 0.240 374 I C 2.665 178.792 176.117 0.017 0.000 1.078 374 I CA 1.135 62.442 61.300 0.012 0.000 1.343 374 I CB -0.418 37.583 38.000 0.002 0.000 1.046 374 I HN 0.182 nan 8.210 nan 0.000 0.405 375 S N 0.881 116.587 115.700 0.009 0.000 2.368 375 S HA -0.300 4.170 4.470 0.001 0.000 0.226 375 S C 2.225 176.839 174.600 0.023 0.000 1.044 375 S CA 1.856 60.063 58.200 0.012 0.000 1.062 375 S CB -0.392 62.810 63.200 0.004 0.000 0.931 375 S HN 0.463 nan 8.310 nan 0.000 0.440 376 A N 0.316 123.148 122.820 0.021 0.000 1.933 376 A HA -0.078 4.242 4.320 0.001 0.000 0.218 376 A C 2.180 179.807 177.584 0.071 0.000 1.175 376 A CA 1.918 53.972 52.037 0.028 0.000 0.628 376 A CB -0.976 18.026 19.000 0.003 0.000 0.814 376 A HN 0.620 nan 8.150 nan 0.000 0.444 377 Q N -0.345 119.501 119.800 0.076 0.000 2.167 377 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 377 Q C 2.132 178.199 176.000 0.112 0.000 0.970 377 Q CA 1.827 57.707 55.803 0.128 0.000 0.855 377 Q CB -0.295 28.495 28.738 0.087 0.000 0.911 377 Q HN 0.781 nan 8.270 nan 0.000 0.438 378 Q N -0.677 119.163 119.800 0.066 0.000 2.084 378 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 378 Q C 2.086 178.119 176.000 0.055 0.000 0.978 378 Q CA 1.337 57.167 55.803 0.044 0.000 0.844 378 Q CB -0.048 28.706 28.738 0.027 0.000 0.898 378 Q HN 0.284 nan 8.270 nan 0.000 0.426 379 R N -0.603 119.939 120.500 0.071 0.000 2.096 379 R HA -0.163 4.177 4.340 0.001 0.000 0.235 379 R C 2.167 178.547 176.300 0.135 0.000 1.127 379 R CA 1.204 57.350 56.100 0.077 0.000 0.968 379 R CB -0.328 30.009 30.300 0.061 0.000 0.861 379 R HN 0.282 nan 8.270 nan 0.000 0.440 380 Y N 1.707 122.007 120.300 -0.000 0.000 2.145 380 Y HA -0.214 4.337 4.550 0.000 0.000 0.286 380 Y C 2.043 177.946 175.900 0.004 0.000 1.145 380 Y CA 1.122 59.222 58.100 0.001 0.000 1.148 380 Y CB -0.657 37.803 38.460 -0.000 0.000 0.981 380 Y HN -0.029 nan 8.280 nan 0.000 0.507 381 L N 0.859 122.040 121.223 -0.070 0.000 1.990 381 L HA -0.161 4.179 4.340 0.001 0.000 0.213 381 L C 2.487 179.301 176.870 -0.094 0.000 1.072 381 L CA 2.498 57.246 54.840 -0.153 0.000 0.755 381 L CB -1.474 40.543 42.059 -0.069 0.000 0.889 381 L HN 0.228 nan 8.230 nan 0.000 0.432 382 A N -1.588 121.215 122.820 -0.028 0.000 1.948 382 A HA -0.274 4.046 4.320 0.001 0.000 0.220 382 A C 2.551 180.128 177.584 -0.012 0.000 1.177 382 A CA 2.193 54.222 52.037 -0.013 0.000 0.636 382 A CB -1.206 17.798 19.000 0.008 0.000 0.815 382 A HN 0.590 nan 8.150 nan 0.000 0.449 383 S N -0.785 114.920 115.700 0.009 0.000 2.383 383 S HA -0.034 4.436 4.470 0.001 0.000 0.227 383 S C 1.891 176.479 174.600 -0.019 0.000 1.026 383 S CA 1.214 59.431 58.200 0.027 0.000 0.981 383 S CB -0.448 62.817 63.200 0.108 0.000 0.818 383 S HN 0.495 nan 8.310 nan 0.000 0.472 384 L N 0.907 122.067 121.223 -0.106 0.000 2.093 384 L HA -0.083 4.258 4.340 0.001 0.000 0.208 384 L C 2.842 179.663 176.870 -0.082 0.000 1.085 384 L CA 1.161 55.916 54.840 -0.141 0.000 0.755 384 L CB -0.506 41.371 42.059 -0.304 0.000 0.904 384 L HN 0.389 nan 8.230 nan 0.000 0.435 385 Q N 0.040 119.798 119.800 -0.070 0.000 2.084 385 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 385 Q C 2.303 178.285 176.000 -0.031 0.000 0.978 385 Q CA 1.545 57.321 55.803 -0.046 0.000 0.844 385 Q CB -0.147 28.568 28.738 -0.038 0.000 0.898 385 Q HN 0.533 nan 8.270 nan 0.000 0.426 386 I N 0.266 120.823 120.570 -0.023 0.000 2.179 386 I HA -0.266 3.905 4.170 0.001 0.000 0.242 386 I C 2.247 178.358 176.117 -0.011 0.000 1.088 386 I CA 1.208 62.500 61.300 -0.012 0.000 1.357 386 I CB -0.533 37.465 38.000 -0.003 0.000 1.051 386 I HN 0.203 nan 8.210 nan 0.000 0.409 387 T N 1.486 116.034 114.554 -0.011 0.000 2.665 387 T HA -0.228 4.123 4.350 0.001 0.000 0.268 387 T C 1.867 176.556 174.700 -0.017 0.000 1.035 387 T CA 1.620 63.715 62.100 -0.008 0.000 1.151 387 T CB -0.421 68.443 68.868 -0.006 0.000 0.862 387 T HN 0.163 nan 8.240 nan 0.000 0.438 388 L N 1.330 122.536 121.223 -0.028 0.000 1.989 388 L HA -0.121 4.220 4.340 0.001 0.000 0.211 388 L C 2.463 179.318 176.870 -0.024 0.000 1.071 388 L CA 1.811 56.631 54.840 -0.034 0.000 0.749 388 L CB -0.961 41.077 42.059 -0.035 0.000 0.890 388 L HN 0.134 nan 8.230 nan 0.000 0.431 389 Q N -0.307 119.482 119.800 -0.019 0.000 2.061 389 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 389 Q C 2.328 178.328 176.000 0.001 0.000 0.984 389 Q CA 1.493 57.290 55.803 -0.011 0.000 0.846 389 Q CB -0.531 28.200 28.738 -0.012 0.000 0.902 389 Q HN 0.478 nan 8.270 nan 0.000 0.421 390 R N 0.306 120.807 120.500 0.001 0.000 2.096 390 R HA -0.010 4.330 4.340 0.001 0.000 0.235 390 R C 2.110 178.424 176.300 0.024 0.000 1.127 390 R CA 1.240 57.344 56.100 0.007 0.000 0.968 390 R CB -1.032 29.270 30.300 0.003 0.000 0.861 390 R HN 0.298 nan 8.270 nan 0.000 0.440 391 A N 1.292 124.122 122.820 0.017 0.000 1.898 391 A HA -0.133 4.187 4.320 0.001 0.000 0.216 391 A C 2.275 179.908 177.584 0.082 0.000 1.181 391 A CA 1.103 53.157 52.037 0.029 0.000 0.620 391 A CB -0.334 18.652 19.000 -0.024 0.000 0.819 391 A HN 0.209 nan 8.150 nan 0.000 0.442 392 R N -0.516 120.020 120.500 0.060 0.000 2.073 392 R HA -0.116 4.224 4.340 0.001 0.000 0.234 392 R C 2.550 178.958 176.300 0.180 0.000 1.134 392 R CA 1.304 57.473 56.100 0.115 0.000 0.952 392 R CB -0.538 29.778 30.300 0.026 0.000 0.850 392 R HN 0.512 nan 8.270 nan 0.000 0.433 393 A N 1.221 124.113 122.820 0.120 0.000 1.865 393 A HA -0.170 4.150 4.320 0.001 0.000 0.217 393 A C 2.061 179.768 177.584 0.205 0.000 1.191 393 A CA 1.244 53.370 52.037 0.150 0.000 0.623 393 A CB -0.494 18.531 19.000 0.043 0.000 0.826 393 A HN 0.109 nan 8.150 nan 0.000 0.444 394 L N -1.682 119.617 121.223 0.128 0.000 2.083 394 L HA -0.131 4.209 4.340 0.001 0.000 0.209 394 L C 2.369 179.358 176.870 0.198 0.000 1.083 394 L CA 1.932 56.845 54.840 0.123 0.000 0.752 394 L CB -1.411 40.699 42.059 0.086 0.000 0.899 394 L HN 0.660 nan 8.230 nan 0.000 0.433 395 Y N 0.450 120.825 120.300 0.125 0.000 2.220 395 Y HA -0.216 4.334 4.550 0.000 0.000 0.291 395 Y C 2.452 178.461 175.900 0.182 0.000 1.129 395 Y CA 1.536 59.728 58.100 0.152 0.000 1.161 395 Y CB -0.258 38.305 38.460 0.173 0.000 0.997 395 Y HN 0.288 nan 8.280 nan 0.000 0.522 396 Q N -1.060 118.753 119.800 0.022 0.000 2.437 396 Q HA -0.151 4.190 4.340 0.001 0.000 0.210 396 Q C 0.561 176.453 176.000 -0.179 0.000 0.972 396 Q CA 1.240 56.984 55.803 -0.099 0.000 0.903 396 Q CB -0.127 28.672 28.738 0.103 0.000 0.967 396 Q HN 0.661 nan 8.270 nan 0.000 0.486 397 H N -1.364 117.664 119.070 -0.070 0.000 2.505 397 H HA 0.242 4.798 4.556 0.001 0.000 0.286 397 H C 0.877 176.169 175.328 -0.060 0.000 1.072 397 H CA 0.377 56.397 56.048 -0.047 0.000 1.141 397 H CB 0.652 30.408 29.762 -0.010 0.000 1.550 397 H HN 0.324 nan 8.280 nan 0.000 0.547 398 G N 0.639 109.414 108.800 -0.041 0.000 2.187 398 G HA2 -0.368 3.592 3.960 0.001 0.000 0.261 398 G HA3 -0.368 3.592 3.960 0.001 0.000 0.261 398 G C 1.236 176.157 174.900 0.034 0.000 1.000 398 G CA 0.631 45.709 45.100 -0.038 0.000 0.718 398 G HN 0.598 nan 8.290 nan 0.000 0.519 399 A N -1.406 121.456 122.820 0.071 0.000 2.081 399 A HA 0.627 4.947 4.320 0.001 0.000 0.214 399 A C 1.290 178.926 177.584 0.086 0.000 1.158 399 A CA 2.003 54.083 52.037 0.072 0.000 0.724 399 A CB 0.165 19.204 19.000 0.065 0.000 0.826 399 A HN 1.965 nan 8.150 nan 0.000 0.463 400 V N -3.079 116.913 119.914 0.130 0.000 3.188 400 V HA 0.697 4.818 4.120 0.001 0.000 0.305 400 V C -0.121 176.121 176.094 0.247 0.000 1.232 400 V CA -0.445 61.945 62.300 0.149 0.000 1.043 400 V CB 1.152 33.051 31.823 0.126 0.000 1.068 400 V HN 0.521 nan 8.190 nan 0.000 0.439 401 S N 1.046 116.866 115.700 0.201 0.000 2.600 401 S HA 0.304 4.774 4.470 0.001 0.000 0.265 401 S C 0.615 175.357 174.600 0.236 0.000 1.325 401 S CA 0.326 58.675 58.200 0.248 0.000 1.002 401 S CB 0.388 63.676 63.200 0.147 0.000 0.921 401 S HN 1.192 nan 8.310 nan 0.000 0.554 402 Y N 1.182 121.499 120.300 0.028 0.000 2.497 402 Y HA 0.031 4.581 4.550 0.001 0.000 0.292 402 Y C 1.786 177.584 175.900 -0.170 0.000 1.137 402 Y CA 0.879 58.780 58.100 -0.330 0.000 1.285 402 Y CB -0.357 37.859 38.460 -0.406 0.000 0.991 402 Y HN 0.699 nan 8.280 nan 0.000 0.556 403 L N 0.414 121.609 121.223 -0.047 0.000 2.127 403 L HA -0.191 4.149 4.340 0.001 0.000 0.211 403 L C 2.096 178.881 176.870 -0.141 0.000 1.089 403 L CA 1.778 56.570 54.840 -0.080 0.000 0.757 403 L CB -0.612 41.446 42.059 -0.003 0.000 0.899 403 L HN 0.175 nan 8.230 nan 0.000 0.434 404 E N -0.756 119.370 120.200 -0.123 0.000 2.077 404 E HA -0.174 4.177 4.350 0.001 0.000 0.193 404 E C 2.239 178.719 176.600 -0.201 0.000 0.989 404 E CA 1.593 57.928 56.400 -0.108 0.000 0.800 404 E CB -0.341 29.338 29.700 -0.035 0.000 0.746 404 E HN 0.449 nan 8.360 nan 0.000 0.452 405 V N 1.477 121.144 119.914 -0.412 0.000 2.323 405 V HA -0.214 3.906 4.120 0.001 0.000 0.244 405 V C 2.471 178.297 176.094 -0.446 0.000 1.041 405 V CA 1.197 63.188 62.300 -0.516 0.000 1.025 405 V CB -0.503 30.751 31.823 -0.948 0.000 0.656 405 V HN 0.148 nan 8.190 nan 0.000 0.451 406 L N 0.643 121.531 121.223 -0.557 0.000 2.013 406 L HA -0.249 4.091 4.340 0.001 0.000 0.212 406 L C 1.997 178.781 176.870 -0.142 0.000 1.073 406 L CA 2.463 57.122 54.840 -0.301 0.000 0.753 406 L CB -0.806 41.125 42.059 -0.213 0.000 0.890 406 L HN 0.357 nan 8.230 nan 0.000 0.432 407 D N -1.137 119.190 120.400 -0.121 0.000 2.117 407 D HA -0.139 4.501 4.640 0.001 0.000 0.197 407 D C 2.144 178.426 176.300 -0.030 0.000 0.987 407 D CA 1.340 55.310 54.000 -0.051 0.000 0.829 407 D CB -0.047 40.730 40.800 -0.039 0.000 0.961 407 D HN 0.500 nan 8.370 nan 0.000 0.460 408 A N 0.329 123.115 122.820 -0.056 0.000 1.898 408 A HA -0.165 4.156 4.320 0.001 0.000 0.216 408 A C 1.998 179.576 177.584 -0.010 0.000 1.181 408 A CA 1.312 53.327 52.037 -0.038 0.000 0.620 408 A CB -0.497 18.471 19.000 -0.054 0.000 0.819 408 A HN 0.190 nan 8.150 nan 0.000 0.442 409 E N -0.381 119.824 120.200 0.008 0.000 2.051 409 E HA -0.195 4.155 4.350 0.001 0.000 0.192 409 E C 2.373 179.087 176.600 0.190 0.000 0.991 409 E CA 1.159 57.630 56.400 0.119 0.000 0.799 409 E CB -0.184 29.655 29.700 0.231 0.000 0.748 409 E HN 0.490 nan 8.360 nan 0.000 0.449 410 R N 0.347 120.935 120.500 0.146 0.000 2.083 410 R HA -0.093 4.247 4.340 0.001 0.000 0.237 410 R C 2.571 178.954 176.300 0.139 0.000 1.137 410 R CA 1.468 57.674 56.100 0.177 0.000 0.951 410 R CB -0.338 30.017 30.300 0.092 0.000 0.851 410 R HN 0.048 nan 8.270 nan 0.000 0.434 411 S N 1.216 116.956 115.700 0.066 0.000 2.383 411 S HA -0.104 4.366 4.470 0.001 0.000 0.227 411 S C 1.801 176.379 174.600 -0.036 0.000 1.026 411 S CA 0.728 58.940 58.200 0.020 0.000 0.981 411 S CB -0.217 62.989 63.200 0.009 0.000 0.818 411 S HN 0.140 nan 8.310 nan 0.000 0.472 412 L N 1.087 122.300 121.223 -0.017 0.000 2.017 412 L HA 0.002 4.343 4.340 0.001 0.000 0.208 412 L C 1.891 178.803 176.870 0.070 0.000 1.073 412 L CA 1.741 56.562 54.840 -0.032 0.000 0.745 412 L CB -1.098 40.955 42.059 -0.011 0.000 0.894 412 L HN 0.286 nan 8.230 nan 0.000 0.432 413 F N 0.494 120.422 119.950 -0.037 0.000 2.146 413 F HA -0.070 4.457 4.527 0.000 0.000 0.298 413 F C 2.319 178.110 175.800 -0.015 0.000 1.096 413 F CA 1.202 59.185 58.000 -0.028 0.000 1.275 413 F CB -0.938 38.071 39.000 0.015 0.000 1.008 413 F HN 0.164 nan 8.300 nan 0.000 0.480 414 A N -0.792 121.973 122.820 -0.090 0.000 1.933 414 A HA -0.150 4.171 4.320 0.001 0.000 0.218 414 A C 2.217 179.726 177.584 -0.125 0.000 1.175 414 A CA 2.164 54.091 52.037 -0.183 0.000 0.628 414 A CB -1.349 17.614 19.000 -0.061 0.000 0.814 414 A HN 0.412 nan 8.150 nan 0.000 0.444 415 T N -0.422 114.087 114.554 -0.074 0.000 2.821 415 T HA -0.094 4.256 4.350 0.001 0.000 0.267 415 T C 2.050 176.720 174.700 -0.050 0.000 1.046 415 T CA 1.361 63.429 62.100 -0.053 0.000 1.139 415 T CB -0.204 68.574 68.868 -0.149 0.000 0.871 415 T HN 0.516 nan 8.240 nan 0.000 0.454 416 R N 1.014 121.484 120.500 -0.050 0.000 2.081 416 R HA -0.085 4.255 4.340 0.001 0.000 0.235 416 R C 2.696 178.963 176.300 -0.055 0.000 1.131 416 R CA 1.392 57.480 56.100 -0.021 0.000 0.960 416 R CB -0.264 30.067 30.300 0.052 0.000 0.856 416 R HN 0.521 nan 8.270 nan 0.000 0.436 417 Q N -0.470 119.237 119.800 -0.154 0.000 2.119 417 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 417 Q C 1.966 177.911 176.000 -0.090 0.000 0.972 417 Q CA 1.694 57.396 55.803 -0.167 0.000 0.847 417 Q CB -0.006 28.538 28.738 -0.323 0.000 0.903 417 Q HN 0.288 nan 8.270 nan 0.000 0.433 418 T N 1.105 115.617 114.554 -0.072 0.000 2.777 418 T HA -0.100 4.251 4.350 0.001 0.000 0.266 418 T C 1.641 176.341 174.700 0.002 0.000 1.040 418 T CA 0.653 62.738 62.100 -0.025 0.000 1.141 418 T CB -0.130 68.736 68.868 -0.002 0.000 0.868 418 T HN 0.061 nan 8.240 nan 0.000 0.444 419 L N 1.059 122.283 121.223 0.002 0.000 2.046 419 L HA 0.087 4.427 4.340 0.001 0.000 0.208 419 L C 2.180 179.063 176.870 0.022 0.000 1.077 419 L CA 1.436 56.285 54.840 0.016 0.000 0.747 419 L CB -0.947 41.120 42.059 0.013 0.000 0.896 419 L HN 0.280 nan 8.230 nan 0.000 0.432 420 L N -0.932 120.301 121.223 0.016 0.000 2.042 420 L HA -0.252 4.088 4.340 0.001 0.000 0.210 420 L C 2.214 179.120 176.870 0.060 0.000 1.076 420 L CA 1.415 56.274 54.840 0.031 0.000 0.749 420 L CB -0.757 41.309 42.059 0.013 0.000 0.893 420 L HN 0.271 nan 8.230 nan 0.000 0.432 421 D N 0.024 120.451 120.400 0.044 0.000 2.144 421 D HA -0.141 4.499 4.640 0.001 0.000 0.199 421 D C 2.398 178.773 176.300 0.124 0.000 0.984 421 D CA 1.098 55.151 54.000 0.088 0.000 0.834 421 D CB -0.092 40.734 40.800 0.044 0.000 0.955 421 D HN 0.278 nan 8.370 nan 0.000 0.465 422 L N 0.398 121.661 121.223 0.067 0.000 2.056 422 L HA -0.151 4.189 4.340 0.001 0.000 0.207 422 L C 1.940 178.829 176.870 0.032 0.000 1.078 422 L CA 0.958 55.823 54.840 0.043 0.000 0.749 422 L CB -0.330 41.744 42.059 0.024 0.000 0.901 422 L HN -0.025 nan 8.230 nan 0.000 0.433 423 N N -1.094 117.634 118.700 0.045 0.000 2.188 423 N HA -0.242 4.498 4.740 0.001 0.000 0.184 423 N C 1.713 177.245 175.510 0.036 0.000 1.018 423 N CA 1.020 54.086 53.050 0.027 0.000 0.858 423 N CB -0.210 38.297 38.487 0.035 0.000 0.989 423 N HN 0.272 nan 8.380 nan 0.000 0.426 424 Y N 1.323 121.611 120.300 -0.020 0.000 2.145 424 Y HA -0.121 4.429 4.550 0.001 0.000 0.286 424 Y C 2.197 178.083 175.900 -0.025 0.000 1.145 424 Y CA 1.485 59.577 58.100 -0.014 0.000 1.148 424 Y CB -0.618 37.851 38.460 0.014 0.000 0.981 424 Y HN 0.056 nan 8.280 nan 0.000 0.507 425 A N 0.833 123.574 122.820 -0.132 0.000 1.940 425 A HA -0.229 4.092 4.320 0.001 0.000 0.219 425 A C 2.403 179.864 177.584 -0.205 0.000 1.176 425 A CA 1.896 53.807 52.037 -0.210 0.000 0.631 425 A CB -0.888 18.084 19.000 -0.047 0.000 0.814 425 A HN 0.595 nan 8.150 nan 0.000 0.446 426 R N 0.185 120.600 120.500 -0.141 0.000 2.073 426 R HA -0.216 4.124 4.340 0.001 0.000 0.234 426 R C 2.457 178.651 176.300 -0.176 0.000 1.134 426 R CA 1.931 57.955 56.100 -0.127 0.000 0.952 426 R CB -0.427 29.819 30.300 -0.089 0.000 0.850 426 R HN 0.788 nan 8.270 nan 0.000 0.433 427 Q N -0.270 119.382 119.800 -0.247 0.000 2.124 427 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 427 Q C 2.104 177.942 176.000 -0.271 0.000 0.977 427 Q CA 1.635 57.240 55.803 -0.329 0.000 0.850 427 Q CB -0.320 28.074 28.738 -0.572 0.000 0.901 427 Q HN 0.229 nan 8.270 nan 0.000 0.429 428 V N 2.564 122.272 119.914 -0.343 0.000 2.343 428 V HA -0.264 3.857 4.120 0.001 0.000 0.247 428 V C 2.328 178.350 176.094 -0.119 0.000 1.051 428 V CA 2.017 64.168 62.300 -0.248 0.000 1.036 428 V CB -0.884 30.694 31.823 -0.410 0.000 0.654 428 V HN 0.547 nan 8.190 nan 0.000 0.451 429 N N -0.205 118.415 118.700 -0.132 0.000 2.188 429 N HA -0.183 4.558 4.740 0.001 0.000 0.184 429 N C 1.816 177.301 175.510 -0.043 0.000 1.018 429 N CA 1.160 54.161 53.050 -0.082 0.000 0.858 429 N CB 0.096 38.531 38.487 -0.087 0.000 0.989 429 N HN 0.436 nan 8.380 nan 0.000 0.426 430 E N 1.064 121.244 120.200 -0.033 0.000 2.077 430 E HA -0.125 4.226 4.350 0.001 0.000 0.193 430 E C 2.158 178.852 176.600 0.157 0.000 0.989 430 E CA 0.619 57.047 56.400 0.046 0.000 0.800 430 E CB -0.247 29.466 29.700 0.021 0.000 0.746 430 E HN 0.531 nan 8.360 nan 0.000 0.452 431 I N 0.956 121.619 120.570 0.156 0.000 2.252 431 I HA -0.233 3.938 4.170 0.001 0.000 0.245 431 I C 2.337 178.528 176.117 0.123 0.000 1.102 431 I CA 0.873 62.311 61.300 0.230 0.000 1.385 431 I CB -0.183 38.001 38.000 0.307 0.000 1.064 431 I HN -0.058 nan 8.210 nan 0.000 0.414 432 S N 0.761 116.494 115.700 0.056 0.000 2.382 432 S HA -0.168 4.302 4.470 0.001 0.000 0.228 432 S C 1.871 176.452 174.600 -0.033 0.000 1.027 432 S CA 1.208 59.413 58.200 0.008 0.000 0.991 432 S CB -0.389 62.799 63.200 -0.019 0.000 0.823 432 S HN 0.297 nan 8.310 nan 0.000 0.469 433 L N 0.867 122.067 121.223 -0.039 0.000 2.005 433 L HA -0.042 4.298 4.340 0.001 0.000 0.207 433 L C 2.012 178.827 176.870 -0.093 0.000 1.072 433 L CA 1.808 56.596 54.840 -0.088 0.000 0.744 433 L CB -1.254 40.757 42.059 -0.079 0.000 0.895 433 L HN 0.324 nan 8.230 nan 0.000 0.433 434 Y N 0.415 120.571 120.300 -0.241 0.000 2.102 434 Y HA -0.339 4.211 4.550 0.000 0.000 0.280 434 Y C 2.431 178.176 175.900 -0.259 0.000 1.178 434 Y CA 2.683 60.542 58.100 -0.401 0.000 1.146 434 Y CB -0.904 36.939 38.460 -1.029 0.000 0.968 434 Y HN 0.290 nan 8.280 nan 0.000 0.504 435 T N 0.411 114.856 114.554 -0.181 0.000 2.777 435 T HA -0.118 4.232 4.350 0.001 0.000 0.266 435 T C 2.090 176.692 174.700 -0.163 0.000 1.040 435 T CA 1.351 63.344 62.100 -0.178 0.000 1.141 435 T CB -0.753 68.101 68.868 -0.022 0.000 0.868 435 T HN 0.477 nan 8.240 nan 0.000 0.444 436 A N 1.072 123.814 122.820 -0.130 0.000 2.067 436 A HA 0.121 4.441 4.320 0.001 0.000 0.219 436 A C 2.028 179.538 177.584 -0.123 0.000 1.158 436 A CA 0.912 52.882 52.037 -0.112 0.000 0.661 436 A CB -0.689 18.238 19.000 -0.122 0.000 0.801 436 A HN 0.502 nan 8.150 nan 0.000 0.452 437 L N -1.457 119.667 121.223 -0.165 0.000 2.599 437 L HA 0.210 4.550 4.340 0.001 0.000 0.230 437 L C 1.604 178.396 176.870 -0.130 0.000 1.141 437 L CA 0.578 55.345 54.840 -0.122 0.000 0.877 437 L CB -0.028 41.973 42.059 -0.097 0.000 1.009 437 L HN 0.572 nan 8.230 nan 0.000 0.447 438 G N -1.201 107.491 108.800 -0.180 0.000 2.184 438 G HA2 -0.089 3.872 3.960 0.001 0.000 0.206 438 G HA3 -0.089 3.872 3.960 0.001 0.000 0.206 438 G C 0.707 175.451 174.900 -0.260 0.000 0.995 438 G CA -0.266 44.737 45.100 -0.162 0.000 0.651 438 G HN 0.706 nan 8.290 nan 0.000 0.511 439 G N -0.627 107.853 108.800 -0.534 0.000 2.569 439 G HA2 0.323 4.284 3.960 0.001 0.000 0.259 439 G HA3 0.323 4.284 3.960 0.001 0.000 0.259 439 G C 1.082 175.620 174.900 -0.602 0.000 1.263 439 G CA 0.963 45.577 45.100 -0.811 0.000 0.928 439 G HN 2.006 nan 8.290 nan 0.000 0.572 440 G N 0.000 108.755 108.800 -0.076 0.000 5.446 440 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 440 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 440 G CA 0.000 45.201 45.100 0.168 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925