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 2hv2_1_C DATA FIRST_RESID 2 DATA SEQUENCE TTKRVKKXGK EEXKEXFDLV IYAFNQEPTA ERQERFEKLL SHTQSYGFLI DATA SEQUENCE DEQLTSQVXA TPFQVNFHGV RYPXAGIGYV ASYPEYRGEG GISAIXKEXL DATA SEQUENCE ADLAKQKVAL SYLAPFSYPF YRQYGYEQTF EQAEYTIKTE DWPRVKRVPG DATA SEQUENCE TIKRVSWADG KEVIKDVYLE NQRAHSGGVI RETWWLDYTL NRASKPNNQA DATA SEQUENCE IYYSSEGKAE GYVIYRIAAG TFEIVEWNYL TNTAFKALAG FIGSHSGSVQ DATA SEQUENCE SFHWINGFAG KDLNDLXPTP AASVKILPYX XARIVELQTF LEKYPFQSGE DATA SEQUENCE KETYSLEIED SYGPWNEGIW TITIDEQGKA TVTKGAXXXX XXAALKADIQ DATA SEQUENCE TWTQLFLGYR SAETLSFYER LQGDATIAQR LGQRLVKGXP ILEDYF 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.704 174.700 0.006 0.000 1.109 2 T CA 0.000 62.113 62.100 0.021 0.000 1.349 2 T CB 0.000 68.891 68.868 0.038 0.000 0.612 3 T N 2.118 116.663 114.554 -0.016 0.000 2.769 3 T HA 0.391 4.741 4.350 -0.000 0.000 0.293 3 T C -0.263 174.383 174.700 -0.090 0.000 0.931 3 T CA -0.175 61.902 62.100 -0.039 0.000 1.139 3 T CB -0.388 68.454 68.868 -0.043 0.000 0.881 3 T HN 0.688 nan 8.240 nan 0.000 0.532 4 K N 4.290 124.631 120.400 -0.099 0.000 2.207 4 K HA 0.678 4.998 4.320 -0.000 0.000 0.255 4 K C -0.138 176.302 176.600 -0.266 0.000 0.941 4 K CA -1.001 55.136 56.287 -0.249 0.000 0.825 4 K CB 1.773 34.239 32.500 -0.057 0.000 1.119 4 K HN 0.839 nan 8.250 nan 0.000 0.430 5 R N -0.553 119.653 120.500 -0.490 0.000 2.687 5 R HA 0.335 4.675 4.340 -0.000 0.000 0.265 5 R C -1.637 174.556 176.300 -0.178 0.000 1.048 5 R CA -0.953 55.021 56.100 -0.210 0.000 0.884 5 R CB 0.614 30.846 30.300 -0.113 0.000 1.258 5 R HN 0.218 nan 8.270 nan 0.000 0.469 6 V N 2.208 122.168 119.914 0.076 0.000 2.407 6 V HA 0.395 4.515 4.120 -0.000 0.000 0.278 6 V C -0.031 176.130 176.094 0.111 0.000 1.037 6 V CA -0.339 62.072 62.300 0.185 0.000 0.900 6 V CB 1.337 33.326 31.823 0.277 0.000 0.983 6 V HN 0.652 nan 8.190 nan 0.000 0.459 7 K N 4.575 125.032 120.400 0.094 0.000 2.259 7 K HA 0.544 4.864 4.320 -0.000 0.000 0.252 7 K C -0.366 176.247 176.600 0.021 0.000 0.936 7 K CA -0.806 55.506 56.287 0.042 0.000 0.810 7 K CB 1.873 34.375 32.500 0.002 0.000 1.143 7 K HN 0.597 nan 8.250 nan 0.000 0.427 11 K N -0.245 120.109 120.400 -0.076 0.000 2.097 11 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 11 K C 2.025 178.606 176.600 -0.031 0.000 1.049 11 K CA 1.857 58.105 56.287 -0.065 0.000 0.933 11 K CB -0.083 32.371 32.500 -0.077 0.000 0.717 11 K HN 0.541 nan 8.250 nan 0.000 0.442 12 E N 0.206 120.390 120.200 -0.028 0.000 2.268 12 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 12 E C -0.176 176.429 176.600 0.008 0.000 0.995 12 E CA 0.730 57.123 56.400 -0.012 0.000 0.836 12 E CB 0.315 30.004 29.700 -0.018 0.000 0.763 12 E HN 0.256 nan 8.360 nan 0.000 0.491 19 D N 1.552 121.898 120.400 -0.090 0.000 2.123 19 D HA -0.129 4.511 4.640 -0.000 0.000 0.196 19 D C 2.171 178.471 176.300 0.000 0.000 0.992 19 D CA 1.948 55.917 54.000 -0.052 0.000 0.833 19 D CB -0.457 40.411 40.800 0.115 0.000 0.954 19 D HN 0.352 nan 8.370 nan 0.000 0.455 20 L N 0.392 121.606 121.223 -0.016 0.000 2.093 20 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 20 L C 2.017 178.813 176.870 -0.124 0.000 1.085 20 L CA 1.302 55.999 54.840 -0.239 0.000 0.755 20 L CB -0.359 41.471 42.059 -0.382 0.000 0.904 20 L HN -0.122 nan 8.230 nan 0.000 0.435 21 V N -0.416 119.416 119.914 -0.137 0.000 2.719 21 V HA -0.165 3.954 4.120 -0.000 0.000 0.252 21 V C 2.438 178.507 176.094 -0.041 0.000 1.065 21 V CA 0.945 63.222 62.300 -0.038 0.000 1.086 21 V CB -0.311 31.299 31.823 -0.355 0.000 0.700 21 V HN 0.363 nan 8.190 nan 0.000 0.467 22 I N -0.984 119.423 120.570 -0.273 0.000 2.353 22 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 22 I C 2.204 178.287 176.117 -0.057 0.000 1.119 22 I CA 1.703 62.840 61.300 -0.271 0.000 1.417 22 I CB -0.852 36.847 38.000 -0.501 0.000 1.078 22 I HN 0.390 nan 8.210 nan 0.000 0.421 23 Y N 1.857 122.118 120.300 -0.066 0.000 2.130 23 Y HA -0.115 4.435 4.550 -0.000 0.000 0.287 23 Y C 2.643 178.524 175.900 -0.032 0.000 1.124 23 Y CA 1.983 60.084 58.100 0.002 0.000 1.118 23 Y CB -0.193 38.343 38.460 0.127 0.000 0.994 23 Y HN 0.080 nan 8.280 nan 0.000 0.497 24 A N -0.606 122.298 122.820 0.141 0.000 1.972 24 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 24 A C 1.570 178.947 177.584 -0.346 0.000 1.169 24 A CA 1.776 53.757 52.037 -0.093 0.000 0.635 24 A CB -1.137 17.768 19.000 -0.159 0.000 0.810 24 A HN 0.549 nan 8.150 nan 0.000 0.446 25 F N -1.803 118.124 119.950 -0.039 0.000 2.678 25 F HA 0.253 4.780 4.527 -0.000 0.000 0.305 25 F C 0.819 176.582 175.800 -0.061 0.000 1.090 25 F CA -0.038 57.953 58.000 -0.015 0.000 1.272 25 F CB -0.218 38.837 39.000 0.090 0.000 1.060 25 F HN 0.289 nan 8.300 nan 0.000 0.576 26 N N 1.890 120.582 118.700 -0.012 0.000 2.740 26 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 26 N C -0.537 174.963 175.510 -0.017 0.000 1.062 26 N CA 0.594 53.595 53.050 -0.081 0.000 0.704 26 N CB -0.729 37.692 38.487 -0.111 0.000 0.968 26 N HN 0.565 nan 8.380 nan 0.000 0.547 27 Q N -0.539 119.261 119.800 0.000 0.000 2.266 27 Q HA 0.425 4.765 4.340 -0.000 0.000 0.261 27 Q C -0.367 175.614 176.000 -0.032 0.000 0.985 27 Q CA -0.997 54.809 55.803 0.007 0.000 0.873 27 Q CB 1.173 29.936 28.738 0.043 0.000 1.306 27 Q HN 0.491 nan 8.270 nan 0.000 0.447 28 E N 1.505 121.701 120.200 -0.007 0.000 2.313 28 E HA 0.238 4.588 4.350 -0.000 0.000 0.276 28 E C -2.188 174.427 176.600 0.025 0.000 1.031 28 E CA -2.257 54.141 56.400 -0.003 0.000 0.857 28 E CB 0.298 30.004 29.700 0.009 0.000 1.040 28 E HN 0.343 nan 8.360 nan 0.000 0.408 29 P HA -0.032 nan 4.420 nan 0.000 0.235 29 P C -0.274 177.126 177.300 0.167 0.000 1.765 29 P CA -0.165 63.023 63.100 0.146 0.000 1.034 29 P CB -0.565 31.219 31.700 0.140 0.000 1.984 30 T N -1.440 113.197 114.554 0.138 0.000 2.930 30 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 30 T C 1.589 176.351 174.700 0.103 0.000 1.045 30 T CA -0.088 62.070 62.100 0.097 0.000 1.134 30 T CB 1.144 70.053 68.868 0.068 0.000 0.961 30 T HN 0.168 nan 8.240 nan 0.000 0.545 31 A N 1.785 124.643 122.820 0.063 0.000 1.978 31 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 31 A C 2.273 179.872 177.584 0.026 0.000 1.170 31 A CA 1.835 53.891 52.037 0.033 0.000 0.636 31 A CB -0.984 18.028 19.000 0.021 0.000 0.810 31 A HN 1.040 nan 8.150 nan 0.000 0.448 32 E N -0.554 119.668 120.200 0.037 0.000 2.110 32 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 32 E C 2.271 178.906 176.600 0.059 0.000 0.988 32 E CA 1.115 57.536 56.400 0.035 0.000 0.804 32 E CB -0.105 29.609 29.700 0.024 0.000 0.745 32 E HN 0.615 nan 8.360 nan 0.000 0.458 33 R N 0.172 120.731 120.500 0.097 0.000 2.127 33 R HA -0.071 4.269 4.340 -0.000 0.000 0.217 33 R C 2.408 178.807 176.300 0.166 0.000 1.074 33 R CA 1.000 57.200 56.100 0.167 0.000 0.991 33 R CB -0.021 30.410 30.300 0.218 0.000 0.895 33 R HN 0.213 nan 8.270 nan 0.000 0.450 34 Q N 0.586 120.374 119.800 -0.020 0.000 2.084 34 Q HA -0.204 4.135 4.340 -0.000 0.000 0.202 34 Q C 1.534 177.443 176.000 -0.151 0.000 0.978 34 Q CA 1.704 57.225 55.803 -0.470 0.000 0.844 34 Q CB 0.117 28.499 28.738 -0.594 0.000 0.898 34 Q HN 0.373 nan 8.270 nan 0.000 0.426 35 E N -0.098 120.080 120.200 -0.037 0.000 2.070 35 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 35 E C 2.098 178.761 176.600 0.106 0.000 1.004 35 E CA 1.391 57.806 56.400 0.025 0.000 0.805 35 E CB 0.062 29.784 29.700 0.037 0.000 0.744 35 E HN 0.264 nan 8.360 nan 0.000 0.451 36 R N -0.661 119.940 120.500 0.169 0.000 2.115 36 R HA -0.112 4.228 4.340 -0.000 0.000 0.230 36 R C 2.217 178.756 176.300 0.397 0.000 1.111 36 R CA 0.954 57.244 56.100 0.317 0.000 0.976 36 R CB -0.270 30.189 30.300 0.265 0.000 0.870 36 R HN 0.190 nan 8.270 nan 0.000 0.445 37 F N 2.216 122.251 119.950 0.140 0.000 2.113 37 F HA -0.127 4.400 4.527 0.000 0.000 0.297 37 F C 1.930 177.749 175.800 0.032 0.000 1.103 37 F CA 1.492 59.550 58.000 0.097 0.000 1.248 37 F CB -0.017 38.989 39.000 0.010 0.000 0.999 37 F HN -0.054 nan 8.300 nan 0.000 0.475 38 E N -0.137 120.066 120.200 0.005 0.000 2.110 38 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 38 E C 2.053 178.589 176.600 -0.106 0.000 0.988 38 E CA 1.354 57.697 56.400 -0.095 0.000 0.804 38 E CB -0.199 29.472 29.700 -0.049 0.000 0.745 38 E HN 0.151 nan 8.360 nan 0.000 0.458 39 K N 1.504 121.908 120.400 0.006 0.000 2.026 39 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 39 K C 1.990 178.564 176.600 -0.042 0.000 1.048 39 K CA 1.030 57.341 56.287 0.041 0.000 0.929 39 K CB -0.587 32.051 32.500 0.230 0.000 0.713 39 K HN 0.086 nan 8.250 nan 0.000 0.439 40 L N 0.648 121.847 121.223 -0.039 0.000 2.017 40 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 40 L C 2.223 178.966 176.870 -0.213 0.000 1.073 40 L CA 1.607 56.383 54.840 -0.107 0.000 0.745 40 L CB -0.641 41.420 42.059 0.002 0.000 0.894 40 L HN 0.374 nan 8.230 nan 0.000 0.432 41 L N -0.542 120.467 121.223 -0.356 0.000 2.043 41 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 41 L C 2.543 179.232 176.870 -0.303 0.000 1.075 41 L CA 2.145 56.756 54.840 -0.380 0.000 0.752 41 L CB -0.570 41.203 42.059 -0.477 0.000 0.891 41 L HN 0.679 nan 8.230 nan 0.000 0.432 42 S N -2.351 113.151 115.700 -0.330 0.000 2.547 42 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 42 S C 1.347 175.566 174.600 -0.634 0.000 0.980 42 S CA 0.484 58.427 58.200 -0.428 0.000 0.941 42 S CB -0.440 62.492 63.200 -0.447 0.000 0.763 42 S HN 0.555 nan 8.310 nan 0.000 0.532 43 H N 0.252 119.041 119.070 -0.469 0.000 2.581 43 H HA 0.399 4.955 4.556 -0.000 0.000 0.275 43 H C -0.441 174.676 175.328 -0.351 0.000 1.126 43 H CA 0.040 55.764 56.048 -0.540 0.000 1.097 43 H CB 0.724 29.868 29.762 -1.031 0.000 1.626 43 H HN 0.338 nan 8.280 nan 0.000 0.565 44 T N 0.586 115.023 114.554 -0.196 0.000 2.900 44 T HA 0.162 4.512 4.350 -0.000 0.000 0.303 44 T C -0.713 173.902 174.700 -0.142 0.000 1.142 44 T CA -0.692 61.319 62.100 -0.148 0.000 1.007 44 T CB 3.065 71.873 68.868 -0.101 0.000 1.156 44 T HN 0.014 nan 8.240 nan 0.000 0.490 45 Q N 1.686 121.425 119.800 -0.101 0.000 2.340 45 Q HA 0.557 4.897 4.340 -0.000 0.000 0.259 45 Q C -0.466 175.478 176.000 -0.093 0.000 0.964 45 Q CA -0.214 55.502 55.803 -0.145 0.000 0.900 45 Q CB 1.149 29.803 28.738 -0.139 0.000 1.228 45 Q HN 0.620 nan 8.270 nan 0.000 0.449 46 S N 4.142 119.756 115.700 -0.145 0.000 2.508 46 S HA 0.564 5.034 4.470 -0.000 0.000 0.284 46 S C -1.327 173.172 174.600 -0.168 0.000 1.192 46 S CA -0.347 57.840 58.200 -0.022 0.000 1.070 46 S CB 0.257 63.464 63.200 0.013 0.000 1.004 46 S HN 0.505 nan 8.310 nan 0.000 0.493 47 Y N 2.063 122.403 120.300 0.067 0.000 2.335 47 Y HA 0.609 5.159 4.550 -0.000 0.000 0.338 47 Y C 0.865 176.826 175.900 0.102 0.000 0.977 47 Y CA -0.701 57.444 58.100 0.075 0.000 1.114 47 Y CB 1.781 40.288 38.460 0.078 0.000 1.182 47 Y HN 0.807 nan 8.280 nan 0.000 0.463 48 G N 1.878 110.806 108.800 0.212 0.000 2.432 48 G HA2 0.502 4.462 3.960 -0.000 0.000 0.331 48 G HA3 0.502 4.462 3.960 -0.000 0.000 0.331 48 G C -2.060 172.982 174.900 0.236 0.000 1.170 48 G CA -0.591 44.623 45.100 0.189 0.000 0.943 48 G HN 0.421 nan 8.290 nan 0.000 0.483 49 F N 2.147 122.133 119.950 0.060 0.000 2.361 49 F HA 0.553 5.080 4.527 -0.000 0.000 0.364 49 F C -0.138 175.659 175.800 -0.005 0.000 1.117 49 F CA -1.270 56.752 58.000 0.036 0.000 1.071 49 F CB 0.964 39.986 39.000 0.036 0.000 1.188 49 F HN 0.154 nan 8.300 nan 0.000 0.464 50 L N 7.554 128.536 121.223 -0.402 0.000 2.275 50 L HA 0.492 4.832 4.340 -0.000 0.000 0.288 50 L C -0.432 176.158 176.870 -0.468 0.000 1.046 50 L CA -0.686 53.964 54.840 -0.317 0.000 0.805 50 L CB 1.462 43.409 42.059 -0.187 0.000 1.193 50 L HN 0.475 nan 8.230 nan 0.000 0.426 51 I N 2.557 122.923 120.570 -0.340 0.000 2.339 51 I HA 0.181 4.351 4.170 -0.000 0.000 0.290 51 I C -0.229 175.804 176.117 -0.139 0.000 0.994 51 I CA -0.426 60.721 61.300 -0.254 0.000 1.191 51 I CB 1.401 39.278 38.000 -0.205 0.000 1.343 51 I HN 0.671 nan 8.210 nan 0.000 0.458 52 D N 5.088 125.432 120.400 -0.094 0.000 2.733 52 D HA -0.207 4.433 4.640 -0.000 0.000 0.232 52 D C 0.341 176.606 176.300 -0.058 0.000 1.161 52 D CA 0.800 54.768 54.000 -0.054 0.000 0.653 52 D CB -0.508 40.282 40.800 -0.016 0.000 1.052 52 D HN 0.659 nan 8.370 nan 0.000 0.424 53 E N -3.032 117.117 120.200 -0.085 0.000 3.801 53 E HA -0.223 4.127 4.350 -0.000 0.000 0.319 53 E C -0.199 176.369 176.600 -0.054 0.000 0.784 53 E CA 0.955 57.315 56.400 -0.067 0.000 1.183 53 E CB -1.010 28.666 29.700 -0.041 0.000 1.601 53 E HN 0.557 nan 8.360 nan 0.000 0.441 54 Q N 0.475 120.235 119.800 -0.065 0.000 2.274 54 Q HA 0.386 4.726 4.340 -0.000 0.000 0.256 54 Q C 0.391 176.354 176.000 -0.060 0.000 0.927 54 Q CA -0.669 55.108 55.803 -0.043 0.000 0.939 54 Q CB 1.178 29.895 28.738 -0.034 0.000 1.201 54 Q HN 0.165 nan 8.270 nan 0.000 0.426 55 L N 3.231 124.461 121.223 0.011 0.000 2.477 55 L HA 0.016 4.356 4.340 -0.000 0.000 0.272 55 L C 0.937 177.862 176.870 0.091 0.000 1.157 55 L CA 1.046 55.913 54.840 0.045 0.000 0.889 55 L CB 0.411 42.525 42.059 0.091 0.000 1.158 55 L HN 0.831 nan 8.230 nan 0.000 0.473 56 T N -0.814 113.759 114.554 0.031 0.000 2.964 56 T HA 0.350 4.700 4.350 -0.000 0.000 0.250 56 T C 0.622 175.382 174.700 0.099 0.000 0.982 56 T CA 0.282 62.405 62.100 0.037 0.000 0.959 56 T CB 0.103 68.689 68.868 -0.470 0.000 1.141 56 T HN 0.498 nan 8.240 nan 0.000 0.494 57 S N 0.935 116.716 115.700 0.134 0.000 2.595 57 S HA 0.722 5.192 4.470 -0.000 0.000 0.281 57 S C -1.745 172.942 174.600 0.146 0.000 1.117 57 S CA -0.870 57.403 58.200 0.123 0.000 0.873 57 S CB 2.594 65.878 63.200 0.140 0.000 1.108 57 S HN 0.632 nan 8.310 nan 0.000 0.477 58 Q N 0.991 120.879 119.800 0.145 0.000 2.435 58 Q HA 0.749 5.089 4.340 -0.000 0.000 0.282 58 Q C -2.125 174.007 176.000 0.221 0.000 1.020 58 Q CA -0.621 55.295 55.803 0.189 0.000 0.820 58 Q CB 1.703 30.547 28.738 0.176 0.000 1.436 58 Q HN 0.521 nan 8.270 nan 0.000 0.395 62 T N 5.530 119.989 114.554 -0.159 0.000 2.728 62 T HA 0.548 4.898 4.350 -0.000 0.000 0.296 62 T C -2.516 171.839 174.700 -0.575 0.000 0.940 62 T CA -0.910 60.955 62.100 -0.393 0.000 1.013 62 T CB 0.849 69.386 68.868 -0.551 0.000 0.912 62 T HN 0.492 nan 8.240 nan 0.000 0.484 63 P HA 0.324 nan 4.420 nan 0.000 0.276 63 P C -1.017 175.965 177.300 -0.531 0.000 1.264 63 P CA -0.215 62.677 63.100 -0.348 0.000 0.769 63 P CB 0.175 31.761 31.700 -0.190 0.000 0.840 64 F N 1.045 120.864 119.950 -0.218 0.000 2.575 64 F HA 0.413 4.940 4.527 -0.000 0.000 0.330 64 F C 0.965 176.692 175.800 -0.122 0.000 1.056 64 F CA -0.822 57.039 58.000 -0.231 0.000 0.964 64 F CB 1.696 40.478 39.000 -0.364 0.000 1.258 64 F HN 0.131 nan 8.300 nan 0.000 0.484 65 Q N 0.853 120.740 119.800 0.146 0.000 2.248 65 Q HA 0.661 5.001 4.340 -0.000 0.000 0.263 65 Q C -1.300 174.782 176.000 0.137 0.000 1.007 65 Q CA -0.870 55.005 55.803 0.120 0.000 0.877 65 Q CB 2.986 31.785 28.738 0.100 0.000 1.315 65 Q HN 0.432 nan 8.270 nan 0.000 0.454 66 V N 2.089 122.099 119.914 0.161 0.000 2.709 66 V HA 0.243 4.363 4.120 -0.000 0.000 0.308 66 V C -0.834 175.407 176.094 0.245 0.000 1.062 66 V CA -0.799 61.629 62.300 0.213 0.000 0.901 66 V CB 2.317 34.266 31.823 0.209 0.000 1.003 66 V HN 0.672 nan 8.190 nan 0.000 0.425 67 N N 4.276 123.118 118.700 0.236 0.000 2.469 67 N HA 0.225 4.965 4.740 -0.000 0.000 0.239 67 N C -1.186 174.463 175.510 0.232 0.000 1.053 67 N CA -0.199 52.956 53.050 0.176 0.000 0.937 67 N CB 0.453 39.016 38.487 0.128 0.000 1.163 67 N HN 0.480 nan 8.380 nan 0.000 0.509 68 F N 5.278 125.292 119.950 0.107 0.000 2.309 68 F HA 0.292 4.819 4.527 -0.000 0.000 0.366 68 F C 0.355 176.194 175.800 0.065 0.000 1.104 68 F CA -0.359 57.729 58.000 0.147 0.000 1.179 68 F CB -0.346 38.879 39.000 0.374 0.000 1.437 68 F HN 0.551 nan 8.300 nan 0.000 0.528 69 H N 3.523 122.388 119.070 -0.341 0.000 2.713 69 H HA -0.199 4.357 4.556 -0.000 0.000 0.311 69 H C 1.440 176.619 175.328 -0.249 0.000 1.175 69 H CA 0.976 56.813 56.048 -0.351 0.000 1.143 69 H CB -1.273 28.146 29.762 -0.572 0.000 1.434 69 H HN 1.069 nan 8.280 nan 0.000 0.418 70 G N -1.583 107.123 108.800 -0.155 0.000 2.194 70 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 70 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 70 G C 0.168 174.988 174.900 -0.135 0.000 0.987 70 G CA 0.105 45.108 45.100 -0.162 0.000 0.635 70 G HN 0.463 nan 8.290 nan 0.000 0.520 71 V N 1.587 121.428 119.914 -0.121 0.000 2.459 71 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 71 V C 0.635 176.609 176.094 -0.201 0.000 1.029 71 V CA -0.730 61.443 62.300 -0.212 0.000 0.874 71 V CB 1.704 33.324 31.823 -0.338 0.000 0.985 71 V HN 0.481 nan 8.190 nan 0.000 0.438 72 R N 4.360 124.736 120.500 -0.207 0.000 2.207 72 R HA 0.434 4.774 4.340 -0.000 0.000 0.334 72 R C -1.720 174.507 176.300 -0.122 0.000 1.013 72 R CA -0.273 55.775 56.100 -0.087 0.000 0.858 72 R CB 0.503 30.779 30.300 -0.040 0.000 1.094 72 R HN 0.697 nan 8.270 nan 0.000 0.457 73 Y N 5.480 125.822 120.300 0.070 0.000 2.409 73 Y HA 0.404 4.954 4.550 -0.000 0.000 0.339 73 Y C -1.714 174.208 175.900 0.036 0.000 1.033 73 Y CA -2.471 55.662 58.100 0.056 0.000 1.094 73 Y CB 2.092 40.602 38.460 0.083 0.000 1.210 73 Y HN 0.630 nan 8.280 nan 0.000 0.456 77 G N 2.395 111.162 108.800 -0.055 0.000 2.333 77 G HA2 0.535 4.495 3.960 -0.000 0.000 0.290 77 G HA3 0.535 4.495 3.960 -0.000 0.000 0.290 77 G C -0.161 174.720 174.900 -0.031 0.000 1.150 77 G CA -0.283 44.697 45.100 -0.201 0.000 0.895 77 G HN 0.576 nan 8.290 nan 0.000 0.444 78 I N 2.159 122.816 120.570 0.145 0.000 2.353 78 I HA 0.633 4.803 4.170 -0.000 0.000 0.293 78 I C 0.790 176.979 176.117 0.121 0.000 0.992 78 I CA -0.342 61.014 61.300 0.094 0.000 1.268 78 I CB 0.888 38.892 38.000 0.008 0.000 1.387 78 I HN 0.557 nan 8.210 nan 0.000 0.478 79 G N 3.774 112.653 108.800 0.130 0.000 2.687 79 G HA2 0.479 4.439 3.960 -0.000 0.000 0.291 79 G HA3 0.479 4.439 3.960 -0.000 0.000 0.291 79 G C -1.284 173.739 174.900 0.205 0.000 1.420 79 G CA -0.539 44.611 45.100 0.082 0.000 0.796 79 G HN 0.375 nan 8.290 nan 0.000 0.485 80 Y N -2.024 118.396 120.300 0.200 0.000 3.037 80 Y HA -0.194 4.356 4.550 -0.000 0.000 0.204 80 Y C 0.963 177.093 175.900 0.383 0.000 1.275 80 Y CA -0.061 58.185 58.100 0.243 0.000 1.066 80 Y CB -1.986 36.591 38.460 0.196 0.000 1.305 80 Y HN 0.312 nan 8.280 nan 0.000 0.499 81 V N 0.596 120.832 119.914 0.535 0.000 2.439 81 V HA 0.616 4.736 4.120 -0.000 0.000 0.271 81 V C 0.615 176.895 176.094 0.310 0.000 1.040 81 V CA 0.224 62.760 62.300 0.393 0.000 1.002 81 V CB 0.932 33.009 31.823 0.425 0.000 1.000 81 V HN 0.520 nan 8.190 nan 0.000 0.477 82 A N 4.437 127.386 122.820 0.215 0.000 2.488 82 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 82 A C -0.516 177.072 177.584 0.007 0.000 1.044 82 A CA -0.480 51.605 52.037 0.080 0.000 0.693 82 A CB 2.021 21.126 19.000 0.174 0.000 1.272 82 A HN 0.631 nan 8.150 nan 0.000 0.402 83 S N 0.396 116.066 115.700 -0.049 0.000 2.541 83 S HA 0.641 5.110 4.470 -0.000 0.000 0.280 83 S C -1.364 173.232 174.600 -0.007 0.000 1.112 83 S CA -0.352 57.844 58.200 -0.007 0.000 0.925 83 S CB 0.803 64.045 63.200 0.069 0.000 1.067 83 S HN 0.493 nan 8.310 nan 0.000 0.479 84 Y N 3.371 123.740 120.300 0.114 0.000 2.359 84 Y HA 0.229 4.779 4.550 0.000 0.000 0.330 84 Y C -1.147 174.791 175.900 0.063 0.000 1.143 84 Y CA -1.602 56.521 58.100 0.038 0.000 1.318 84 Y CB 0.320 38.852 38.460 0.119 0.000 1.234 84 Y HN 0.480 nan 8.280 nan 0.000 0.522 85 P HA -0.156 nan 4.420 nan 0.000 0.218 85 P C 0.414 177.710 177.300 -0.006 0.000 1.149 85 P CA 1.438 64.585 63.100 0.078 0.000 0.817 85 P CB 0.390 32.139 31.700 0.081 0.000 0.785 86 E N -0.889 119.219 120.200 -0.153 0.000 2.333 86 E HA -0.154 4.196 4.350 -0.000 0.000 0.198 86 E C 0.745 177.082 176.600 -0.439 0.000 1.007 86 E CA 1.010 57.186 56.400 -0.374 0.000 0.845 86 E CB -1.032 28.262 29.700 -0.677 0.000 0.766 86 E HN 0.527 nan 8.360 nan 0.000 0.507 87 Y N 0.588 120.933 120.300 0.074 0.000 2.681 87 Y HA 0.234 4.784 4.550 0.000 0.000 0.267 87 Y C -0.184 175.769 175.900 0.088 0.000 1.166 87 Y CA -0.990 57.168 58.100 0.096 0.000 1.209 87 Y CB -0.178 38.368 38.460 0.143 0.000 1.161 87 Y HN -0.134 nan 8.280 nan 0.000 0.534 88 R N 0.021 120.609 120.500 0.146 0.000 2.500 88 R HA 0.197 4.537 4.340 -0.000 0.000 0.281 88 R C 1.362 177.729 176.300 0.112 0.000 0.953 88 R CA 1.029 57.197 56.100 0.113 0.000 1.108 88 R CB -0.335 30.007 30.300 0.069 0.000 0.901 88 R HN 0.471 nan 8.270 nan 0.000 0.410 89 G N 1.271 110.134 108.800 0.106 0.000 2.184 89 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 89 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 89 G C 0.689 175.651 174.900 0.103 0.000 0.975 89 G CA 0.369 45.524 45.100 0.091 0.000 0.642 89 G HN 0.699 nan 8.290 nan 0.000 0.536 90 E N 0.405 120.689 120.200 0.140 0.000 2.511 90 E HA 0.255 4.605 4.350 -0.000 0.000 0.196 90 E C 1.926 178.579 176.600 0.088 0.000 1.066 90 E CA 0.977 57.479 56.400 0.169 0.000 0.871 90 E CB -0.282 29.589 29.700 0.284 0.000 0.863 90 E HN 1.617 nan 8.360 nan 0.000 0.520 91 G N 0.714 109.514 108.800 -0.000 0.000 2.132 91 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.234 91 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.234 91 G C 0.986 175.652 174.900 -0.390 0.000 0.989 91 G CA 0.344 45.385 45.100 -0.098 0.000 0.676 91 G HN 0.474 nan 8.290 nan 0.000 0.522 92 G N 0.417 108.904 108.800 -0.522 0.000 2.404 92 G HA2 0.078 4.038 3.960 -0.000 0.000 0.214 92 G HA3 0.078 4.038 3.960 -0.000 0.000 0.214 92 G C 1.720 176.323 174.900 -0.496 0.000 1.189 92 G CA 1.324 45.784 45.100 -1.066 0.000 0.789 92 G HN 0.396 nan 8.290 nan 0.000 0.533 93 I N 1.668 122.146 120.570 -0.153 0.000 2.163 93 I HA -0.127 4.043 4.170 -0.000 0.000 0.243 93 I C 2.944 178.971 176.117 -0.149 0.000 1.085 93 I CA 1.233 62.503 61.300 -0.049 0.000 1.347 93 I CB -1.240 36.849 38.000 0.148 0.000 1.044 93 I HN 0.095 nan 8.210 nan 0.000 0.408 94 S N 0.892 116.553 115.700 -0.065 0.000 2.370 94 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 94 S C 2.217 176.842 174.600 0.041 0.000 1.033 94 S CA 1.384 59.612 58.200 0.046 0.000 1.011 94 S CB -0.303 63.032 63.200 0.225 0.000 0.852 94 S HN 0.566 nan 8.310 nan 0.000 0.457 95 A N 1.125 123.895 122.820 -0.083 0.000 1.902 95 A HA 0.059 4.378 4.320 -0.000 0.000 0.217 95 A C 1.187 178.797 177.584 0.042 0.000 1.181 95 A CA 0.755 52.782 52.037 -0.016 0.000 0.623 95 A CB -0.588 18.339 19.000 -0.121 0.000 0.818 95 A HN 0.437 nan 8.150 nan 0.000 0.443 102 A N 0.295 123.174 122.820 0.098 0.000 1.898 102 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 102 A C 1.683 179.094 177.584 -0.287 0.000 1.181 102 A CA 2.412 54.276 52.037 -0.288 0.000 0.620 102 A CB -0.478 18.511 19.000 -0.018 0.000 0.819 102 A HN 0.490 nan 8.150 nan 0.000 0.442 103 D N -0.081 120.257 120.400 -0.104 0.000 2.117 103 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 103 D C 1.835 178.099 176.300 -0.060 0.000 0.987 103 D CA 1.251 55.227 54.000 -0.040 0.000 0.829 103 D CB -0.240 40.627 40.800 0.113 0.000 0.961 103 D HN 0.406 nan 8.370 nan 0.000 0.460 104 L N -0.043 121.147 121.223 -0.054 0.000 2.083 104 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 104 L C 2.591 179.402 176.870 -0.098 0.000 1.083 104 L CA 1.064 55.881 54.840 -0.037 0.000 0.752 104 L CB -0.503 41.552 42.059 -0.007 0.000 0.899 104 L HN 0.066 nan 8.230 nan 0.000 0.433 105 A N 0.157 122.845 122.820 -0.219 0.000 1.930 105 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 105 A C 2.307 179.701 177.584 -0.317 0.000 1.175 105 A CA 1.614 53.435 52.037 -0.360 0.000 0.627 105 A CB -0.319 18.112 19.000 -0.947 0.000 0.815 105 A HN 0.275 nan 8.150 nan 0.000 0.443 106 K N -0.435 119.789 120.400 -0.293 0.000 2.074 106 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 106 K C 2.106 178.644 176.600 -0.103 0.000 1.048 106 K CA 1.895 58.076 56.287 -0.177 0.000 0.926 106 K CB -0.193 32.227 32.500 -0.132 0.000 0.713 106 K HN 0.602 nan 8.250 nan 0.000 0.444 107 Q N 0.380 120.132 119.800 -0.079 0.000 2.488 107 Q HA -0.014 4.326 4.340 -0.000 0.000 0.211 107 Q C -0.439 175.541 176.000 -0.033 0.000 0.967 107 Q CA 0.382 56.159 55.803 -0.043 0.000 0.926 107 Q CB 0.370 29.093 28.738 -0.025 0.000 0.992 107 Q HN 0.069 nan 8.270 nan 0.000 0.506 108 K N -0.672 119.700 120.400 -0.047 0.000 3.167 108 K HA -0.135 4.185 4.320 -0.000 0.000 0.272 108 K C -1.046 175.563 176.600 0.014 0.000 1.137 108 K CA 0.261 56.540 56.287 -0.014 0.000 0.800 108 K CB -2.552 29.951 32.500 0.005 0.000 1.253 108 K HN 0.079 nan 8.250 nan 0.000 0.497 109 V N 0.859 120.773 119.914 0.000 0.000 2.479 109 V HA 0.089 4.209 4.120 -0.000 0.000 0.281 109 V C 1.992 178.096 176.094 0.018 0.000 1.031 109 V CA 0.910 63.218 62.300 0.013 0.000 1.038 109 V CB 1.257 33.078 31.823 -0.003 0.000 0.981 109 V HN 0.515 nan 8.190 nan 0.000 0.478 110 A N 5.961 128.805 122.820 0.040 0.000 1.897 110 A HA 0.240 4.560 4.320 -0.000 0.000 0.215 110 A C 0.754 178.252 177.584 -0.143 0.000 1.181 110 A CA 0.996 53.035 52.037 0.004 0.000 0.620 110 A CB 0.009 19.033 19.000 0.041 0.000 0.821 110 A HN 0.629 nan 8.150 nan 0.000 0.443 111 L N -1.793 119.342 121.223 -0.147 0.000 2.376 111 L HA 0.593 4.933 4.340 -0.000 0.000 0.258 111 L C -0.606 176.189 176.870 -0.126 0.000 1.013 111 L CA -0.598 54.125 54.840 -0.194 0.000 0.822 111 L CB 2.366 44.292 42.059 -0.222 0.000 1.388 111 L HN 0.089 nan 8.230 nan 0.000 0.413 112 S N 0.149 115.834 115.700 -0.025 0.000 2.548 112 S HA 0.708 5.177 4.470 -0.000 0.000 0.276 112 S C -1.807 173.052 174.600 0.433 0.000 1.129 112 S CA -0.439 57.830 58.200 0.116 0.000 0.931 112 S CB 0.951 64.270 63.200 0.199 0.000 1.068 112 S HN 0.328 nan 8.310 nan 0.000 0.480 113 Y N 3.686 124.141 120.300 0.257 0.000 2.429 113 Y HA 0.765 5.315 4.550 -0.000 0.000 0.342 113 Y C -0.154 175.836 175.900 0.149 0.000 1.004 113 Y CA -1.620 56.624 58.100 0.241 0.000 1.075 113 Y CB 1.572 40.188 38.460 0.260 0.000 1.214 113 Y HN 0.740 nan 8.280 nan 0.000 0.455 114 L N -0.097 121.146 121.223 0.033 0.000 2.469 114 L HA 1.029 5.369 4.340 -0.000 0.000 0.256 114 L C -0.767 175.842 176.870 -0.435 0.000 1.006 114 L CA -1.728 52.965 54.840 -0.245 0.000 0.832 114 L CB 1.611 43.354 42.059 -0.527 0.000 1.421 114 L HN 0.528 nan 8.230 nan 0.000 0.410 115 A N 1.862 124.399 122.820 -0.472 0.000 2.260 115 A HA 0.828 5.148 4.320 -0.000 0.000 0.312 115 A C -2.331 175.072 177.584 -0.301 0.000 1.321 115 A CA -1.167 50.635 52.037 -0.391 0.000 0.928 115 A CB -0.458 18.340 19.000 -0.335 0.000 1.158 115 A HN 0.647 nan 8.150 nan 0.000 0.542 116 P HA 0.260 nan 4.420 nan 0.000 0.290 116 P C 0.255 177.533 177.300 -0.035 0.000 1.276 116 P CA -0.514 62.431 63.100 -0.259 0.000 0.808 116 P CB 0.772 32.143 31.700 -0.548 0.000 0.966 117 F N 0.444 120.464 119.950 0.117 0.000 2.502 117 F HA 0.192 4.719 4.527 0.000 0.000 0.298 117 F C 0.579 176.413 175.800 0.057 0.000 1.111 117 F CA -0.020 58.018 58.000 0.063 0.000 1.445 117 F CB -0.119 38.885 39.000 0.008 0.000 1.081 117 F HN 0.268 nan 8.300 nan 0.000 0.558 118 S N -1.169 114.061 115.700 -0.784 0.000 2.626 118 S HA 0.299 4.769 4.470 -0.000 0.000 0.275 118 S C -0.231 174.217 174.600 -0.254 0.000 1.175 118 S CA -0.757 57.140 58.200 -0.505 0.000 0.982 118 S CB 0.114 62.832 63.200 -0.804 0.000 1.093 118 S HN 0.208 nan 8.310 nan 0.000 0.472 119 Y N 3.966 124.226 120.300 -0.066 0.000 2.200 119 Y HA 0.105 4.655 4.550 -0.000 0.000 0.290 119 Y C -0.754 175.149 175.900 0.006 0.000 1.137 119 Y CA 1.654 59.760 58.100 0.011 0.000 1.163 119 Y CB -1.337 37.124 38.460 0.002 0.000 0.988 119 Y HN 0.531 nan 8.280 nan 0.000 0.518 120 P HA -0.217 nan 4.420 nan 0.000 0.216 120 P C 1.510 178.775 177.300 -0.057 0.000 1.150 120 P CA 1.475 64.591 63.100 0.025 0.000 0.837 120 P CB -0.284 31.427 31.700 0.018 0.000 0.786 121 F N -1.152 118.635 119.950 -0.272 0.000 2.171 121 F HA -0.197 4.330 4.527 0.000 0.000 0.300 121 F C 1.812 177.330 175.800 -0.470 0.000 1.090 121 F CA 1.591 59.340 58.000 -0.418 0.000 1.293 121 F CB -0.520 38.101 39.000 -0.632 0.000 1.013 121 F HN -0.108 nan 8.300 nan 0.000 0.486 122 Y N -0.872 119.405 120.300 -0.037 0.000 2.503 122 Y HA 0.108 4.658 4.550 -0.000 0.000 0.278 122 Y C 2.464 178.355 175.900 -0.015 0.000 1.111 122 Y CA 0.459 58.551 58.100 -0.014 0.000 1.270 122 Y CB -0.391 38.036 38.460 -0.055 0.000 1.063 122 Y HN -0.096 nan 8.280 nan 0.000 0.548 123 R N 1.435 121.975 120.500 0.067 0.000 2.105 123 R HA -0.236 4.104 4.340 -0.000 0.000 0.239 123 R C 2.196 178.447 176.300 -0.082 0.000 1.135 123 R CA 1.910 58.037 56.100 0.045 0.000 0.967 123 R CB -0.169 30.148 30.300 0.028 0.000 0.861 123 R HN 0.560 nan 8.270 nan 0.000 0.442 124 Q N -0.988 118.629 119.800 -0.305 0.000 2.291 124 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 124 Q C 0.539 176.245 176.000 -0.489 0.000 0.976 124 Q CA 1.525 57.071 55.803 -0.428 0.000 0.875 124 Q CB -0.202 28.140 28.738 -0.659 0.000 0.927 124 Q HN 0.567 nan 8.270 nan 0.000 0.450 125 Y N -0.244 119.933 120.300 -0.204 0.000 2.493 125 Y HA 0.375 4.925 4.550 -0.000 0.000 0.275 125 Y C 1.359 177.237 175.900 -0.037 0.000 1.183 125 Y CA -0.114 57.810 58.100 -0.293 0.000 1.258 125 Y CB 0.969 39.271 38.460 -0.264 0.000 1.108 125 Y HN 0.346 nan 8.280 nan 0.000 0.521 126 G N -1.202 107.647 108.800 0.081 0.000 2.195 126 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.224 126 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.224 126 G C -0.142 174.699 174.900 -0.100 0.000 0.990 126 G CA -0.623 44.459 45.100 -0.030 0.000 0.639 126 G HN 0.285 nan 8.290 nan 0.000 0.514 127 Y N 0.799 121.129 120.300 0.049 0.000 2.379 127 Y HA 0.578 5.128 4.550 0.000 0.000 0.337 127 Y C 0.768 176.678 175.900 0.016 0.000 1.238 127 Y CA 0.545 58.666 58.100 0.035 0.000 1.405 127 Y CB 0.999 39.494 38.460 0.057 0.000 1.310 127 Y HN 0.244 nan 8.280 nan 0.000 0.569 128 E N 0.911 121.192 120.200 0.135 0.000 2.343 128 E HA 0.165 4.515 4.350 -0.000 0.000 0.278 128 E C -1.490 175.107 176.600 -0.005 0.000 0.910 128 E CA -0.874 55.563 56.400 0.061 0.000 0.757 128 E CB 1.346 31.042 29.700 -0.007 0.000 1.218 128 E HN 0.549 nan 8.360 nan 0.000 0.435 129 Q N 1.529 121.338 119.800 0.015 0.000 2.262 129 Q HA 0.064 4.404 4.340 -0.000 0.000 0.298 129 Q C -0.018 175.610 176.000 -0.619 0.000 1.083 129 Q CA 1.464 57.200 55.803 -0.113 0.000 0.962 129 Q CB 0.296 29.000 28.738 -0.056 0.000 1.104 129 Q HN 0.717 nan 8.270 nan 0.000 0.376 130 T N 0.858 114.969 114.554 -0.737 0.000 3.130 130 T HA 0.308 4.658 4.350 -0.000 0.000 0.288 130 T C -0.217 173.875 174.700 -1.013 0.000 0.936 130 T CA -0.351 61.046 62.100 -1.172 0.000 0.897 130 T CB 0.152 68.568 68.868 -0.753 0.000 1.178 130 T HN 0.330 nan 8.240 nan 0.000 0.543 131 F N 0.959 120.763 119.950 -0.243 0.000 2.576 131 F HA 0.749 5.276 4.527 -0.000 0.000 0.313 131 F C 0.137 176.081 175.800 0.240 0.000 1.078 131 F CA -0.971 57.068 58.000 0.065 0.000 0.921 131 F CB 2.237 41.236 39.000 -0.003 0.000 1.232 131 F HN -0.035 nan 8.300 nan 0.000 0.459 132 E N 0.928 121.455 120.200 0.545 0.000 2.392 132 E HA 0.458 4.808 4.350 -0.000 0.000 0.269 132 E C -1.430 175.361 176.600 0.317 0.000 0.924 132 E CA -1.093 55.565 56.400 0.431 0.000 0.784 132 E CB 2.612 32.576 29.700 0.440 0.000 1.292 132 E HN 0.522 nan 8.360 nan 0.000 0.447 133 Q N 0.297 120.170 119.800 0.121 0.000 2.345 133 Q HA 0.653 4.993 4.340 -0.000 0.000 0.268 133 Q C -1.330 174.594 176.000 -0.128 0.000 1.054 133 Q CA -0.984 54.793 55.803 -0.044 0.000 0.835 133 Q CB 2.254 30.852 28.738 -0.234 0.000 1.339 133 Q HN 0.501 nan 8.270 nan 0.000 0.447 134 A N 1.985 124.711 122.820 -0.157 0.000 2.260 134 A HA 0.294 4.614 4.320 -0.000 0.000 0.314 134 A C -0.626 176.744 177.584 -0.357 0.000 1.257 134 A CA -0.389 51.422 52.037 -0.377 0.000 0.871 134 A CB 0.525 19.342 19.000 -0.306 0.000 1.166 134 A HN 0.730 nan 8.150 nan 0.000 0.522 135 E N 2.677 122.655 120.200 -0.370 0.000 2.109 135 E HA 0.444 4.794 4.350 -0.000 0.000 0.278 135 E C -1.586 174.866 176.600 -0.247 0.000 0.954 135 E CA -0.272 55.999 56.400 -0.216 0.000 0.779 135 E CB 0.520 30.172 29.700 -0.081 0.000 1.093 135 E HN 0.624 nan 8.360 nan 0.000 0.401 136 Y N 2.034 122.330 120.300 -0.006 0.000 2.360 136 Y HA 0.356 4.905 4.550 -0.000 0.000 0.337 136 Y C 0.059 176.107 175.900 0.246 0.000 1.039 136 Y CA -0.646 57.530 58.100 0.127 0.000 1.109 136 Y CB 2.262 40.855 38.460 0.221 0.000 1.201 136 Y HN 0.269 nan 8.280 nan 0.000 0.458 137 T N 5.047 119.845 114.554 0.406 0.000 2.949 137 T HA 0.526 4.876 4.350 -0.000 0.000 0.300 137 T C -1.211 173.694 174.700 0.342 0.000 0.988 137 T CA -0.465 61.884 62.100 0.414 0.000 0.993 137 T CB 0.829 69.893 68.868 0.326 0.000 0.984 137 T HN 0.567 nan 8.240 nan 0.000 0.442 138 I N 2.573 123.379 120.570 0.394 0.000 2.533 138 I HA 0.496 4.666 4.170 -0.000 0.000 0.290 138 I C -0.521 175.813 176.117 0.361 0.000 1.056 138 I CA -0.935 60.568 61.300 0.338 0.000 1.057 138 I CB 1.536 39.731 38.000 0.326 0.000 1.240 138 I HN 0.416 nan 8.210 nan 0.000 0.423 139 K N 3.788 124.341 120.400 0.256 0.000 2.319 139 K HA 0.066 4.386 4.320 -0.000 0.000 0.265 139 K C 0.988 177.771 176.600 0.305 0.000 1.000 139 K CA 0.113 56.535 56.287 0.224 0.000 0.943 139 K CB 0.792 33.378 32.500 0.144 0.000 0.950 139 K HN 0.658 nan 8.250 nan 0.000 0.485 140 T N 1.947 116.662 114.554 0.267 0.000 2.759 140 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 140 T C 0.990 175.851 174.700 0.268 0.000 1.042 140 T CA 1.773 64.072 62.100 0.333 0.000 1.140 140 T CB -0.055 68.900 68.868 0.144 0.000 0.864 140 T HN 0.576 nan 8.240 nan 0.000 0.455 141 E N 0.970 121.271 120.200 0.169 0.000 2.338 141 E HA -0.020 4.330 4.350 -0.000 0.000 0.197 141 E C 1.633 178.303 176.600 0.117 0.000 1.007 141 E CA 0.854 57.325 56.400 0.120 0.000 0.849 141 E CB -0.092 29.656 29.700 0.079 0.000 0.774 141 E HN 0.489 nan 8.360 nan 0.000 0.506 142 D N -0.781 119.705 120.400 0.143 0.000 2.367 142 D HA -0.052 4.588 4.640 -0.000 0.000 0.207 142 D C -0.245 176.087 176.300 0.053 0.000 1.034 142 D CA -0.041 54.012 54.000 0.088 0.000 0.861 142 D CB -0.016 40.840 40.800 0.094 0.000 0.943 142 D HN 0.199 nan 8.370 nan 0.000 0.515 143 W N 4.581 125.850 121.300 -0.052 0.000 2.322 143 W HA 0.115 4.775 4.660 -0.000 0.000 0.328 143 W C -2.251 174.174 176.519 -0.157 0.000 1.395 143 W CA -1.139 56.086 57.345 -0.200 0.000 1.267 143 W CB 0.419 29.602 29.460 -0.462 0.000 1.259 143 W HN -0.060 nan 8.180 nan 0.000 0.560 144 P HA 0.153 nan 4.420 nan 0.000 0.275 144 P C -0.305 176.945 177.300 -0.084 0.000 1.227 144 P CA 0.055 63.010 63.100 -0.242 0.000 0.781 144 P CB 0.785 32.285 31.700 -0.334 0.000 0.906 145 R N 1.227 121.708 120.500 -0.032 0.000 2.537 145 R HA 0.337 4.677 4.340 -0.000 0.000 0.280 145 R C -0.387 175.888 176.300 -0.042 0.000 1.058 145 R CA -0.355 55.739 56.100 -0.010 0.000 1.057 145 R CB 0.313 30.606 30.300 -0.010 0.000 0.973 145 R HN 0.316 nan 8.270 nan 0.000 0.438 146 V N 3.496 123.389 119.914 -0.034 0.000 2.525 146 V HA 0.224 4.344 4.120 -0.000 0.000 0.299 146 V C 0.084 176.154 176.094 -0.040 0.000 1.034 146 V CA -1.088 61.177 62.300 -0.058 0.000 0.863 146 V CB 1.821 33.594 31.823 -0.083 0.000 0.999 146 V HN 0.643 nan 8.190 nan 0.000 0.423 147 K N 3.053 123.433 120.400 -0.035 0.000 2.414 147 K HA 0.303 4.622 4.320 -0.000 0.000 0.272 147 K C 0.319 176.912 176.600 -0.013 0.000 0.993 147 K CA -0.279 55.997 56.287 -0.019 0.000 0.964 147 K CB 0.782 33.273 32.500 -0.014 0.000 0.925 147 K HN 0.526 nan 8.250 nan 0.000 0.487 148 R N 0.868 121.368 120.500 0.001 0.000 2.679 148 R HA 0.114 4.454 4.340 -0.000 0.000 0.268 148 R C -0.180 176.135 176.300 0.025 0.000 1.044 148 R CA -0.041 56.069 56.100 0.017 0.000 1.105 148 R CB 0.619 30.934 30.300 0.024 0.000 0.989 148 R HN 0.283 nan 8.270 nan 0.000 0.447 149 V N 3.461 123.402 119.914 0.045 0.000 3.102 149 V HA 0.440 4.560 4.120 -0.000 0.000 0.312 149 V C -2.167 173.990 176.094 0.105 0.000 1.135 149 V CA -2.180 60.154 62.300 0.058 0.000 1.022 149 V CB 2.356 34.197 31.823 0.030 0.000 1.056 149 V HN 0.694 nan 8.190 nan 0.000 0.436 150 P HA 0.611 nan 4.420 nan 0.000 0.272 150 P C -0.082 177.345 177.300 0.211 0.000 1.223 150 P CA 1.042 64.220 63.100 0.129 0.000 0.784 150 P CB 0.418 32.179 31.700 0.103 0.000 0.923 151 G N -0.027 108.846 108.800 0.123 0.000 2.525 151 G HA2 0.302 4.262 3.960 -0.000 0.000 0.685 151 G HA3 0.302 4.262 3.960 -0.000 0.000 0.685 151 G C -0.828 174.068 174.900 -0.006 0.000 1.290 151 G CA -0.342 44.761 45.100 0.005 0.000 0.915 151 G HN 0.925 nan 8.290 nan 0.000 0.548 152 T N -2.146 112.334 114.554 -0.123 0.000 2.906 152 T HA 0.774 5.124 4.350 -0.000 0.000 0.295 152 T C -0.317 174.403 174.700 0.033 0.000 1.061 152 T CA -0.771 61.328 62.100 -0.000 0.000 1.000 152 T CB 1.901 70.768 68.868 -0.002 0.000 1.103 152 T HN 1.061 nan 8.240 nan 0.000 0.486 153 I N 1.610 122.232 120.570 0.086 0.000 2.433 153 I HA 0.482 4.651 4.170 -0.000 0.000 0.292 153 I C -0.221 175.934 176.117 0.063 0.000 1.001 153 I CA -1.018 60.314 61.300 0.052 0.000 1.119 153 I CB 2.082 40.036 38.000 -0.078 0.000 1.289 153 I HN 0.550 nan 8.210 nan 0.000 0.438 154 K N 5.786 126.249 120.400 0.105 0.000 2.292 154 K HA 0.519 4.839 4.320 -0.000 0.000 0.257 154 K C -0.757 175.898 176.600 0.092 0.000 0.940 154 K CA -0.796 55.558 56.287 0.112 0.000 0.811 154 K CB 2.084 34.676 32.500 0.153 0.000 1.120 154 K HN 0.444 nan 8.250 nan 0.000 0.428 155 R N 1.485 122.057 120.500 0.120 0.000 2.442 155 R HA 0.201 4.541 4.340 -0.000 0.000 0.291 155 R C -0.057 176.317 176.300 0.122 0.000 1.069 155 R CA -0.399 55.796 56.100 0.160 0.000 1.022 155 R CB 0.473 30.913 30.300 0.234 0.000 0.976 155 R HN 0.410 nan 8.270 nan 0.000 0.443 156 V N -0.592 119.389 119.914 0.112 0.000 2.914 156 V HA 0.547 4.667 4.120 -0.000 0.000 0.314 156 V C 0.143 176.286 176.094 0.082 0.000 1.084 156 V CA -1.174 61.176 62.300 0.085 0.000 0.963 156 V CB 1.961 33.828 31.823 0.073 0.000 1.025 156 V HN 0.867 nan 8.190 nan 0.000 0.432 157 S N 2.825 118.566 115.700 0.069 0.000 2.600 157 S HA 0.116 4.586 4.470 -0.000 0.000 0.265 157 S C 0.813 175.490 174.600 0.127 0.000 1.325 157 S CA -0.006 58.250 58.200 0.093 0.000 1.002 157 S CB 0.558 63.801 63.200 0.072 0.000 0.921 157 S HN 1.141 nan 8.310 nan 0.000 0.554 158 W N 1.477 122.760 121.300 -0.028 0.000 2.335 158 W HA -0.236 4.424 4.660 0.000 0.000 0.311 158 W C 2.234 178.741 176.519 -0.019 0.000 1.213 158 W CA 1.692 59.016 57.345 -0.035 0.000 1.274 158 W CB -0.788 28.645 29.460 -0.044 0.000 1.148 158 W HN 0.908 nan 8.180 nan 0.000 0.498 159 A N 0.679 123.496 122.820 -0.005 0.000 1.883 159 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 159 A C 1.523 179.019 177.584 -0.147 0.000 1.186 159 A CA 2.233 54.212 52.037 -0.096 0.000 0.624 159 A CB -1.131 17.876 19.000 0.011 0.000 0.822 159 A HN 0.269 nan 8.150 nan 0.000 0.444 160 D N -0.940 119.409 120.400 -0.085 0.000 2.312 160 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 160 D C 1.718 177.952 176.300 -0.112 0.000 0.964 160 D CA 1.220 55.178 54.000 -0.071 0.000 0.877 160 D CB -0.205 40.585 40.800 -0.016 0.000 0.924 160 D HN 0.473 nan 8.370 nan 0.000 0.515 161 G N 0.560 109.237 108.800 -0.204 0.000 2.848 161 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.213 161 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.213 161 G C 1.437 176.060 174.900 -0.462 0.000 1.101 161 G CA 0.067 45.025 45.100 -0.236 0.000 0.778 161 G HN 0.295 nan 8.290 nan 0.000 0.536 162 K N 0.804 120.734 120.400 -0.785 0.000 2.097 162 K HA 0.038 4.358 4.320 -0.000 0.000 0.206 162 K C 1.775 178.069 176.600 -0.509 0.000 1.049 162 K CA 1.382 57.022 56.287 -1.078 0.000 0.933 162 K CB -0.048 31.612 32.500 -1.401 0.000 0.717 162 K HN 0.045 nan 8.250 nan 0.000 0.442 163 E N 0.907 120.921 120.200 -0.310 0.000 2.216 163 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 163 E C 2.192 178.729 176.600 -0.105 0.000 0.988 163 E CA 0.763 57.070 56.400 -0.155 0.000 0.834 163 E CB 0.001 29.646 29.700 -0.093 0.000 0.772 163 E HN 0.214 nan 8.360 nan 0.000 0.479 164 V N 1.410 121.255 119.914 -0.116 0.000 2.379 164 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 164 V C 2.389 178.429 176.094 -0.090 0.000 1.044 164 V CA 1.106 63.371 62.300 -0.059 0.000 1.036 164 V CB -0.386 31.419 31.823 -0.031 0.000 0.664 164 V HN 0.176 nan 8.190 nan 0.000 0.453 165 I N 0.027 120.449 120.570 -0.246 0.000 2.264 165 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 165 I C 2.580 178.570 176.117 -0.211 0.000 1.111 165 I CA 1.823 62.828 61.300 -0.492 0.000 1.382 165 I CB -0.346 37.247 38.000 -0.679 0.000 1.060 165 I HN 0.281 nan 8.210 nan 0.000 0.418 166 K N 0.886 121.224 120.400 -0.103 0.000 2.026 166 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 166 K C 1.706 178.398 176.600 0.152 0.000 1.048 166 K CA 1.961 58.281 56.287 0.056 0.000 0.929 166 K CB -0.009 32.504 32.500 0.022 0.000 0.713 166 K HN 0.203 nan 8.250 nan 0.000 0.439 167 D N 0.153 120.610 120.400 0.095 0.000 2.097 167 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 167 D C 1.959 178.350 176.300 0.151 0.000 0.989 167 D CA 1.096 55.164 54.000 0.113 0.000 0.827 167 D CB -0.305 40.540 40.800 0.075 0.000 0.966 167 D HN 0.037 nan 8.370 nan 0.000 0.456 168 V N 0.614 120.642 119.914 0.191 0.000 2.427 168 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 168 V C 2.151 178.412 176.094 0.278 0.000 1.051 168 V CA 1.254 63.699 62.300 0.242 0.000 1.048 168 V CB -0.612 31.426 31.823 0.359 0.000 0.666 168 V HN 0.185 nan 8.190 nan 0.000 0.456 169 Y N 0.790 121.272 120.300 0.304 0.000 2.097 169 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 169 Y C 2.187 178.166 175.900 0.132 0.000 1.152 169 Y CA 1.868 60.121 58.100 0.254 0.000 1.136 169 Y CB -0.332 38.284 38.460 0.259 0.000 0.975 169 Y HN 0.158 nan 8.280 nan 0.000 0.498 170 L N 0.171 121.456 121.223 0.103 0.000 2.131 170 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 170 L C 2.459 179.356 176.870 0.045 0.000 1.092 170 L CA 1.774 56.644 54.840 0.050 0.000 0.759 170 L CB -0.536 41.639 42.059 0.193 0.000 0.903 170 L HN 0.317 nan 8.230 nan 0.000 0.435 171 E N 0.838 121.063 120.200 0.041 0.000 2.347 171 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 171 E C 0.717 177.269 176.600 -0.080 0.000 1.008 171 E CA -0.074 56.362 56.400 0.061 0.000 0.852 171 E CB 0.163 29.899 29.700 0.060 0.000 0.783 171 E HN 0.487 nan 8.360 nan 0.000 0.505 172 N N -0.043 118.492 118.700 -0.274 0.000 2.514 172 N HA -0.046 4.693 4.740 -0.000 0.000 0.277 172 N C 0.617 175.698 175.510 -0.715 0.000 1.126 172 N CA 0.031 52.846 53.050 -0.393 0.000 0.978 172 N CB 1.105 39.390 38.487 -0.338 0.000 1.106 172 N HN -0.061 nan 8.380 nan 0.000 0.461 173 Q N 1.583 121.049 119.800 -0.557 0.000 2.135 173 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 173 Q C 1.054 176.741 176.000 -0.522 0.000 0.981 173 Q CA 1.329 56.805 55.803 -0.546 0.000 0.856 173 Q CB 0.019 28.610 28.738 -0.245 0.000 0.902 173 Q HN 0.644 nan 8.270 nan 0.000 0.425 174 R N -0.283 119.969 120.500 -0.413 0.000 2.328 174 R HA 0.004 4.344 4.340 -0.000 0.000 0.207 174 R C 1.444 177.584 176.300 -0.266 0.000 1.056 174 R CA 0.791 56.723 56.100 -0.278 0.000 1.016 174 R CB -0.007 30.156 30.300 -0.228 0.000 0.872 174 R HN 0.126 nan 8.270 nan 0.000 0.471 175 A N 0.110 122.654 122.820 -0.460 0.000 2.275 175 A HA 0.020 4.340 4.320 -0.000 0.000 0.212 175 A C 0.700 178.234 177.584 -0.084 0.000 1.201 175 A CA 0.161 51.990 52.037 -0.346 0.000 0.843 175 A CB -0.280 18.305 19.000 -0.692 0.000 0.873 175 A HN 0.391 nan 8.150 nan 0.000 0.492 176 H N -0.895 118.075 119.070 -0.167 0.000 2.542 176 H HA 0.229 4.785 4.556 -0.000 0.000 0.283 176 H C 0.020 175.108 175.328 -0.400 0.000 1.059 176 H CA 0.043 55.964 56.048 -0.211 0.000 1.162 176 H CB 0.600 30.235 29.762 -0.211 0.000 1.539 176 H HN 0.358 nan 8.280 nan 0.000 0.543 177 S N 0.407 115.988 115.700 -0.198 0.000 2.383 177 S HA 0.309 4.779 4.470 -0.000 0.000 0.227 177 S C 1.140 175.866 174.600 0.209 0.000 1.261 177 S CA 0.215 58.230 58.200 -0.309 0.000 1.262 177 S CB 0.823 63.922 63.200 -0.168 0.000 0.992 177 S HN 0.716 nan 8.310 nan 0.000 0.491 178 G N 0.830 109.857 108.800 0.378 0.000 2.179 178 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.220 178 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.220 178 G C 0.350 175.547 174.900 0.495 0.000 0.990 178 G CA -0.457 45.027 45.100 0.640 0.000 0.646 178 G HN 0.873 nan 8.290 nan 0.000 0.517 179 G N -0.470 108.523 108.800 0.322 0.000 2.503 179 G HA2 0.574 4.534 3.960 -0.000 0.000 0.257 179 G HA3 0.574 4.534 3.960 -0.000 0.000 0.257 179 G C 0.468 175.539 174.900 0.286 0.000 1.214 179 G CA 0.168 45.436 45.100 0.279 0.000 0.839 179 G HN 0.912 nan 8.290 nan 0.000 0.559 180 V N 1.939 122.005 119.914 0.253 0.000 2.585 180 V HA -0.007 4.113 4.120 -0.000 0.000 0.296 180 V C 0.850 177.106 176.094 0.271 0.000 1.035 180 V CA 0.156 62.549 62.300 0.155 0.000 1.084 180 V CB 0.880 32.677 31.823 -0.042 0.000 0.953 180 V HN 0.480 nan 8.190 nan 0.000 0.483 181 I N 6.710 127.412 120.570 0.219 0.000 2.357 181 I HA 0.151 4.321 4.170 -0.000 0.000 0.300 181 I C 0.915 177.154 176.117 0.205 0.000 1.159 181 I CA 0.142 61.581 61.300 0.232 0.000 1.339 181 I CB -0.262 37.839 38.000 0.169 0.000 1.458 181 I HN 0.537 nan 8.210 nan 0.000 0.577 182 R N 5.953 126.595 120.500 0.238 0.000 2.370 182 R HA 0.169 4.509 4.340 -0.000 0.000 0.309 182 R C -0.016 176.370 176.300 0.143 0.000 1.059 182 R CA -0.227 55.982 56.100 0.182 0.000 0.981 182 R CB 0.527 30.906 30.300 0.131 0.000 0.972 182 R HN 0.549 nan 8.270 nan 0.000 0.437 183 E N 1.136 121.390 120.200 0.090 0.000 2.374 183 E HA 0.015 4.365 4.350 -0.000 0.000 0.260 183 E C 0.706 177.329 176.600 0.038 0.000 1.101 183 E CA -0.286 56.164 56.400 0.084 0.000 0.907 183 E CB 0.896 30.681 29.700 0.142 0.000 1.014 183 E HN 0.464 nan 8.360 nan 0.000 0.427 184 T N 1.759 116.381 114.554 0.113 0.000 2.699 184 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 184 T C 1.452 176.245 174.700 0.154 0.000 1.036 184 T CA 1.631 63.805 62.100 0.124 0.000 1.147 184 T CB -0.188 68.766 68.868 0.144 0.000 0.862 184 T HN 0.692 nan 8.240 nan 0.000 0.446 185 W N -0.112 121.266 121.300 0.131 0.000 2.436 185 W HA -0.021 4.639 4.660 -0.000 0.000 0.284 185 W C 2.119 178.753 176.519 0.190 0.000 1.225 185 W CA 0.116 57.531 57.345 0.117 0.000 1.271 185 W CB -1.101 28.353 29.460 -0.010 0.000 1.114 185 W HN 0.370 nan 8.180 nan 0.000 0.559 186 W N 1.864 122.408 121.300 -1.260 0.000 2.453 186 W HA -0.135 4.525 4.660 -0.000 0.000 0.289 186 W C 2.044 178.375 176.519 -0.313 0.000 1.215 186 W CA 0.800 57.467 57.345 -1.130 0.000 1.297 186 W CB -0.583 28.232 29.460 -1.075 0.000 1.113 186 W HN -0.140 nan 8.180 nan 0.000 0.551 187 L N 1.665 122.803 121.223 -0.142 0.000 2.046 187 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 187 L C 2.010 178.918 176.870 0.063 0.000 1.077 187 L CA 2.321 57.146 54.840 -0.026 0.000 0.747 187 L CB -1.008 41.134 42.059 0.139 0.000 0.896 187 L HN -0.198 nan 8.230 nan 0.000 0.432 188 D N -1.978 118.528 120.400 0.177 0.000 2.117 188 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 188 D C 1.962 178.234 176.300 -0.047 0.000 0.982 188 D CA 1.265 55.372 54.000 0.177 0.000 0.828 188 D CB -0.306 40.677 40.800 0.305 0.000 0.967 188 D HN 0.404 nan 8.370 nan 0.000 0.464 189 Y N 1.492 121.689 120.300 -0.171 0.000 2.181 189 Y HA -0.243 4.306 4.550 -0.000 0.000 0.288 189 Y C 2.435 178.106 175.900 -0.381 0.000 1.146 189 Y CA 2.366 60.343 58.100 -0.205 0.000 1.164 189 Y CB -0.351 37.989 38.460 -0.199 0.000 0.982 189 Y HN 0.076 nan 8.280 nan 0.000 0.515 190 T N -2.870 111.349 114.554 -0.557 0.000 3.010 190 T HA 0.053 4.403 4.350 -0.000 0.000 0.252 190 T C 1.518 175.940 174.700 -0.464 0.000 1.047 190 T CA 1.031 62.779 62.100 -0.586 0.000 1.140 190 T CB -0.456 67.997 68.868 -0.691 0.000 0.885 190 T HN 0.322 nan 8.240 nan 0.000 0.464 191 L N 0.367 121.289 121.223 -0.502 0.000 2.766 191 L HA 0.460 4.800 4.340 -0.000 0.000 0.242 191 L C 0.502 176.762 176.870 -1.017 0.000 1.136 191 L CA -0.120 54.352 54.840 -0.614 0.000 0.933 191 L CB 0.279 42.046 42.059 -0.487 0.000 1.241 191 L HN 0.171 nan 8.230 nan 0.000 0.522 192 N N 1.574 119.706 118.700 -0.945 0.000 2.844 192 N HA 0.177 4.917 4.740 -0.000 0.000 0.268 192 N C -0.860 174.364 175.510 -0.478 0.000 1.574 192 N CA -0.357 52.135 53.050 -0.930 0.000 0.838 192 N CB 0.524 38.275 38.487 -1.226 0.000 1.177 192 N HN 0.009 nan 8.380 nan 0.000 0.495 193 R N 0.910 121.183 120.500 -0.378 0.000 2.387 193 R HA 0.541 4.881 4.340 -0.000 0.000 0.314 193 R C 0.788 176.974 176.300 -0.190 0.000 0.958 193 R CA -0.583 55.364 56.100 -0.256 0.000 0.846 193 R CB 1.424 31.572 30.300 -0.254 0.000 1.147 193 R HN 0.218 nan 8.270 nan 0.000 0.447 194 A N 2.424 125.165 122.820 -0.132 0.000 1.927 194 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 194 A C 1.900 179.430 177.584 -0.090 0.000 1.185 194 A CA 2.415 54.395 52.037 -0.094 0.000 0.639 194 A CB -0.494 18.471 19.000 -0.059 0.000 0.820 194 A HN 0.818 nan 8.150 nan 0.000 0.451 195 S N -1.966 113.681 115.700 -0.088 0.000 2.562 195 S HA 0.166 4.636 4.470 -0.000 0.000 0.221 195 S C 0.794 175.340 174.600 -0.089 0.000 0.975 195 S CA 0.827 58.983 58.200 -0.073 0.000 0.918 195 S CB 0.044 63.211 63.200 -0.056 0.000 0.772 195 S HN 0.499 nan 8.310 nan 0.000 0.531 196 K N 2.331 122.659 120.400 -0.119 0.000 3.098 196 K HA 0.286 4.606 4.320 -0.000 0.000 0.170 196 K C -3.091 173.414 176.600 -0.158 0.000 1.106 196 K CA -1.640 54.571 56.287 -0.127 0.000 0.864 196 K CB 1.225 33.648 32.500 -0.128 0.000 1.047 196 K HN 0.175 nan 8.250 nan 0.000 0.609 197 P HA 0.130 nan 4.420 nan 0.000 0.275 197 P C -0.911 176.273 177.300 -0.194 0.000 1.228 197 P CA -0.270 62.728 63.100 -0.170 0.000 0.786 197 P CB 0.880 32.502 31.700 -0.132 0.000 0.927 198 N N 1.772 120.338 118.700 -0.224 0.000 2.402 198 N HA 0.334 5.073 4.740 -0.000 0.000 0.294 198 N C -0.243 175.088 175.510 -0.300 0.000 1.203 198 N CA -0.528 52.364 53.050 -0.262 0.000 0.838 198 N CB 1.066 39.409 38.487 -0.239 0.000 1.306 198 N HN 0.375 nan 8.380 nan 0.000 0.510 199 N N 0.616 119.004 118.700 -0.521 0.000 2.459 199 N HA 0.455 5.195 4.740 -0.000 0.000 0.288 199 N C -0.873 174.345 175.510 -0.487 0.000 1.186 199 N CA -0.341 52.354 53.050 -0.592 0.000 0.917 199 N CB 1.328 39.202 38.487 -1.023 0.000 1.219 199 N HN 0.382 nan 8.380 nan 0.000 0.525 200 Q N -0.022 119.706 119.800 -0.120 0.000 2.345 200 Q HA 0.810 5.150 4.340 -0.000 0.000 0.275 200 Q C -1.421 174.725 176.000 0.243 0.000 1.063 200 Q CA -0.791 55.098 55.803 0.143 0.000 0.819 200 Q CB 2.492 31.335 28.738 0.174 0.000 1.356 200 Q HN 0.691 nan 8.270 nan 0.000 0.418 201 A N 2.000 124.980 122.820 0.267 0.000 2.449 201 A HA 0.866 5.186 4.320 -0.000 0.000 0.302 201 A C -1.250 176.368 177.584 0.058 0.000 1.048 201 A CA -0.592 51.487 52.037 0.071 0.000 0.708 201 A CB 1.038 19.861 19.000 -0.295 0.000 1.274 201 A HN 0.684 nan 8.150 nan 0.000 0.410 202 I N 1.339 121.920 120.570 0.019 0.000 2.441 202 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 202 I C -0.961 175.102 176.117 -0.090 0.000 0.994 202 I CA -0.678 60.602 61.300 -0.034 0.000 1.144 202 I CB 1.821 39.723 38.000 -0.163 0.000 1.314 202 I HN 0.768 nan 8.210 nan 0.000 0.445 203 Y N 6.582 126.770 120.300 -0.186 0.000 2.367 203 Y HA 0.391 4.941 4.550 -0.000 0.000 0.342 203 Y C -1.243 174.515 175.900 -0.237 0.000 0.979 203 Y CA -0.436 57.589 58.100 -0.125 0.000 1.161 203 Y CB 0.397 38.841 38.460 -0.026 0.000 1.155 203 Y HN 0.315 nan 8.280 nan 0.000 0.503 204 Y N 4.238 124.182 120.300 -0.594 0.000 2.320 204 Y HA 0.303 4.853 4.550 -0.000 0.000 0.334 204 Y C 0.872 176.243 175.900 -0.882 0.000 1.055 204 Y CA -0.524 57.266 58.100 -0.516 0.000 1.143 204 Y CB 1.192 39.496 38.460 -0.259 0.000 1.193 204 Y HN 0.730 nan 8.280 nan 0.000 0.477 205 S N 0.387 115.883 115.700 -0.340 0.000 2.598 205 S HA -0.034 4.436 4.470 -0.000 0.000 0.256 205 S C 1.349 175.910 174.600 -0.066 0.000 1.350 205 S CA -0.109 58.013 58.200 -0.131 0.000 0.984 205 S CB 0.685 63.938 63.200 0.088 0.000 0.930 205 S HN 0.808 nan 8.310 nan 0.000 0.577 206 S N 0.359 116.068 115.700 0.015 0.000 2.442 206 S HA -0.114 4.355 4.470 -0.000 0.000 0.236 206 S C 1.255 175.862 174.600 0.011 0.000 1.007 206 S CA 0.840 59.049 58.200 0.015 0.000 0.965 206 S CB -0.650 62.576 63.200 0.042 0.000 0.773 206 S HN 0.873 nan 8.310 nan 0.000 0.504 207 E N 0.732 120.946 120.200 0.023 0.000 2.474 207 E HA 0.303 4.653 4.350 -0.000 0.000 0.195 207 E C 1.264 177.876 176.600 0.020 0.000 1.039 207 E CA 0.515 56.927 56.400 0.021 0.000 0.881 207 E CB -0.372 29.346 29.700 0.031 0.000 0.970 207 E HN 0.671 nan 8.360 nan 0.000 0.486 208 G N 1.669 110.484 108.800 0.025 0.000 2.179 208 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 208 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 208 G C 0.087 175.076 174.900 0.148 0.000 0.990 208 G CA 0.070 45.192 45.100 0.037 0.000 0.646 208 G HN 0.276 nan 8.290 nan 0.000 0.517 209 K N 1.202 121.679 120.400 0.129 0.000 2.297 209 K HA 0.664 4.984 4.320 -0.000 0.000 0.286 209 K C 0.888 177.564 176.600 0.127 0.000 1.053 209 K CA 0.078 56.449 56.287 0.139 0.000 0.940 209 K CB 0.666 33.224 32.500 0.096 0.000 1.019 209 K HN 0.585 nan 8.250 nan 0.000 0.475 210 A N 4.455 127.323 122.820 0.080 0.000 2.515 210 A HA 0.024 4.344 4.320 -0.000 0.000 0.263 210 A C 0.125 177.715 177.584 0.012 0.000 1.096 210 A CA 0.395 52.325 52.037 -0.178 0.000 0.769 210 A CB -0.035 18.847 19.000 -0.197 0.000 1.040 210 A HN 0.988 nan 8.150 nan 0.000 0.505 211 E N 1.373 121.633 120.200 0.100 0.000 2.641 211 E HA 0.327 4.677 4.350 -0.000 0.000 0.224 211 E C 0.491 177.236 176.600 0.242 0.000 0.951 211 E CA 0.399 56.929 56.400 0.217 0.000 1.102 211 E CB 1.028 30.927 29.700 0.333 0.000 1.091 211 E HN 0.916 nan 8.360 nan 0.000 0.507 212 G N 0.735 109.677 108.800 0.237 0.000 2.489 212 G HA2 0.415 4.375 3.960 -0.000 0.000 0.291 212 G HA3 0.415 4.375 3.960 -0.000 0.000 0.291 212 G C -1.936 173.119 174.900 0.259 0.000 1.487 212 G CA -0.819 44.412 45.100 0.219 0.000 0.795 212 G HN 0.090 nan 8.290 nan 0.000 0.513 213 Y N -1.835 118.609 120.300 0.240 0.000 2.597 213 Y HA 0.801 5.351 4.550 -0.000 0.000 0.340 213 Y C -0.939 175.130 175.900 0.282 0.000 1.097 213 Y CA -1.695 56.519 58.100 0.190 0.000 1.037 213 Y CB 1.530 40.077 38.460 0.145 0.000 1.305 213 Y HN 0.611 nan 8.280 nan 0.000 0.463 214 V N 2.817 122.929 119.914 0.331 0.000 2.604 214 V HA 0.539 4.659 4.120 -0.000 0.000 0.305 214 V C -0.368 176.006 176.094 0.467 0.000 1.043 214 V CA -0.955 61.508 62.300 0.271 0.000 0.888 214 V CB 1.634 33.458 31.823 0.002 0.000 0.995 214 V HN 0.762 nan 8.190 nan 0.000 0.429 215 I N 5.502 126.336 120.570 0.439 0.000 2.354 215 I HA 0.640 4.810 4.170 -0.000 0.000 0.292 215 I C -0.643 175.617 176.117 0.239 0.000 0.989 215 I CA -0.487 60.994 61.300 0.302 0.000 1.188 215 I CB 1.229 39.378 38.000 0.249 0.000 1.342 215 I HN 0.858 nan 8.210 nan 0.000 0.457 216 Y N 4.729 124.986 120.300 -0.071 0.000 2.625 216 Y HA 0.832 5.382 4.550 -0.000 0.000 0.338 216 Y C -1.104 174.596 175.900 -0.332 0.000 1.123 216 Y CA -1.419 56.518 58.100 -0.272 0.000 1.046 216 Y CB 1.455 39.619 38.460 -0.492 0.000 1.299 216 Y HN 0.549 nan 8.280 nan 0.000 0.464 217 R N 1.305 121.598 120.500 -0.345 0.000 2.764 217 R HA 0.768 5.108 4.340 -0.000 0.000 0.270 217 R C -2.074 174.003 176.300 -0.372 0.000 1.014 217 R CA -1.015 54.880 56.100 -0.343 0.000 0.904 217 R CB 2.313 32.473 30.300 -0.233 0.000 1.236 217 R HN 0.780 nan 8.270 nan 0.000 0.466 218 I N 1.126 121.538 120.570 -0.263 0.000 2.378 218 I HA 0.629 4.799 4.170 -0.000 0.000 0.291 218 I C -0.577 175.465 176.117 -0.126 0.000 0.992 218 I CA -0.761 60.421 61.300 -0.197 0.000 1.154 218 I CB 1.972 39.893 38.000 -0.132 0.000 1.315 218 I HN 0.843 nan 8.210 nan 0.000 0.448 219 A N 4.759 127.517 122.820 -0.102 0.000 2.455 219 A HA 0.764 5.084 4.320 -0.000 0.000 0.300 219 A C 0.301 177.846 177.584 -0.065 0.000 1.040 219 A CA -0.161 51.830 52.037 -0.077 0.000 0.697 219 A CB 1.542 20.498 19.000 -0.073 0.000 1.265 219 A HN 1.374 nan 8.150 nan 0.000 0.407 220 A N 0.738 123.525 122.820 -0.055 0.000 2.596 220 A HA 0.257 4.577 4.320 -0.000 0.000 0.300 220 A C 2.055 179.608 177.584 -0.051 0.000 1.495 220 A CA 2.103 54.111 52.037 -0.048 0.000 0.769 220 A CB -1.657 17.315 19.000 -0.046 0.000 1.047 220 A HN 3.153 nan 8.150 nan 0.000 0.436 221 G N -2.721 106.045 108.800 -0.057 0.000 2.179 221 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.260 221 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.260 221 G C 0.380 175.230 174.900 -0.084 0.000 0.977 221 G CA 0.954 46.017 45.100 -0.063 0.000 0.641 221 G HN 1.851 nan 8.290 nan 0.000 0.533 222 T N 0.779 115.286 114.554 -0.078 0.000 2.771 222 T HA 0.497 4.847 4.350 -0.000 0.000 0.281 222 T C -0.397 174.260 174.700 -0.072 0.000 0.982 222 T CA -0.419 61.639 62.100 -0.070 0.000 0.978 222 T CB 1.291 70.143 68.868 -0.027 0.000 0.930 222 T HN 0.374 nan 8.240 nan 0.000 0.447 223 F N 4.226 123.981 119.950 -0.325 0.000 2.494 223 F HA 0.188 4.715 4.527 -0.000 0.000 0.369 223 F C 0.614 176.377 175.800 -0.062 0.000 1.098 223 F CA -0.376 57.449 58.000 -0.292 0.000 1.154 223 F CB 0.416 39.029 39.000 -0.645 0.000 1.103 223 F HN 0.376 nan 8.300 nan 0.000 0.549 224 E N 7.926 128.069 120.200 -0.096 0.000 2.089 224 E HA 0.174 4.524 4.350 -0.000 0.000 0.284 224 E C -0.075 176.551 176.600 0.044 0.000 1.023 224 E CA -0.293 56.156 56.400 0.082 0.000 0.819 224 E CB 1.276 31.004 29.700 0.047 0.000 1.076 224 E HN 0.632 nan 8.360 nan 0.000 0.396 225 I N 3.876 124.569 120.570 0.205 0.000 2.372 225 I HA -0.070 4.100 4.170 -0.000 0.000 0.298 225 I C 1.555 177.778 176.117 0.178 0.000 1.137 225 I CA -0.145 61.210 61.300 0.092 0.000 1.314 225 I CB 0.332 38.193 38.000 -0.231 0.000 1.444 225 I HN 0.282 nan 8.210 nan 0.000 0.541 226 V N 4.718 124.728 119.914 0.160 0.000 2.379 226 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 226 V C 0.857 177.127 176.094 0.292 0.000 1.044 226 V CA 1.424 63.834 62.300 0.184 0.000 1.036 226 V CB -0.406 31.469 31.823 0.087 0.000 0.664 226 V HN 0.826 nan 8.190 nan 0.000 0.453 227 E N -1.856 118.537 120.200 0.322 0.000 2.372 227 E HA 0.344 4.694 4.350 -0.000 0.000 0.279 227 E C -2.246 174.608 176.600 0.423 0.000 0.946 227 E CA -0.699 55.969 56.400 0.447 0.000 0.769 227 E CB 2.057 32.026 29.700 0.448 0.000 1.230 227 E HN 0.092 nan 8.360 nan 0.000 0.442 228 W N 5.111 126.506 121.300 0.159 0.000 2.934 228 W HA 0.506 5.166 4.660 -0.000 0.000 0.333 228 W C -1.928 174.582 176.519 -0.016 0.000 1.035 228 W CA -0.742 56.576 57.345 -0.046 0.000 1.256 228 W CB 0.791 30.061 29.460 -0.318 0.000 1.306 228 W HN 0.415 nan 8.180 nan 0.000 0.430 229 N N 4.831 123.415 118.700 -0.193 0.000 2.269 229 N HA 0.528 5.268 4.740 -0.000 0.000 0.304 229 N C -1.596 173.771 175.510 -0.239 0.000 1.072 229 N CA -0.326 52.492 53.050 -0.386 0.000 0.802 229 N CB 2.420 40.678 38.487 -0.383 0.000 1.348 229 N HN 0.344 nan 8.380 nan 0.000 0.484 230 Y N -1.327 118.850 120.300 -0.206 0.000 2.479 230 Y HA 0.461 5.011 4.550 -0.000 0.000 0.338 230 Y C 0.055 175.901 175.900 -0.091 0.000 1.055 230 Y CA -0.912 57.122 58.100 -0.110 0.000 1.023 230 Y CB 0.976 39.382 38.460 -0.089 0.000 1.287 230 Y HN 0.292 nan 8.280 nan 0.000 0.447 231 L N 1.854 123.139 121.223 0.103 0.000 2.513 231 L HA 0.203 4.543 4.340 -0.000 0.000 0.222 231 L C 0.528 177.450 176.870 0.086 0.000 1.096 231 L CA 0.755 55.622 54.840 0.045 0.000 0.857 231 L CB 0.269 42.362 42.059 0.057 0.000 1.026 231 L HN 0.898 nan 8.230 nan 0.000 0.469 232 T N -5.510 109.127 114.554 0.139 0.000 2.906 232 T HA 0.210 4.560 4.350 -0.000 0.000 0.295 232 T C 0.409 175.166 174.700 0.096 0.000 1.075 232 T CA -0.632 61.529 62.100 0.102 0.000 1.005 232 T CB 2.159 71.088 68.868 0.101 0.000 1.136 232 T HN -0.140 nan 8.240 nan 0.000 0.498 233 N N 0.493 119.227 118.700 0.057 0.000 2.188 233 N HA -0.131 4.608 4.740 -0.000 0.000 0.184 233 N C 1.959 177.493 175.510 0.040 0.000 1.018 233 N CA 2.319 55.402 53.050 0.054 0.000 0.858 233 N CB -0.561 37.948 38.487 0.037 0.000 0.989 233 N HN 0.768 nan 8.380 nan 0.000 0.426 234 T N -1.377 113.177 114.554 -0.001 0.000 2.867 234 T HA 0.021 4.371 4.350 -0.000 0.000 0.268 234 T C 1.732 176.244 174.700 -0.314 0.000 1.057 234 T CA 1.508 63.569 62.100 -0.064 0.000 1.136 234 T CB -0.547 68.341 68.868 0.033 0.000 0.874 234 T HN 0.312 nan 8.240 nan 0.000 0.466 235 A N 0.581 123.178 122.820 -0.373 0.000 1.898 235 A HA 0.081 4.401 4.320 -0.000 0.000 0.216 235 A C 2.039 179.409 177.584 -0.358 0.000 1.181 235 A CA 1.606 53.199 52.037 -0.740 0.000 0.620 235 A CB -1.122 17.761 19.000 -0.194 0.000 0.819 235 A HN 0.656 nan 8.150 nan 0.000 0.442 236 F N 0.982 120.695 119.950 -0.395 0.000 2.095 236 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 236 F C 2.067 177.730 175.800 -0.228 0.000 1.104 236 F CA 2.207 59.855 58.000 -0.586 0.000 1.232 236 F CB -0.237 38.128 39.000 -1.058 0.000 0.987 236 F HN 0.121 nan 8.300 nan 0.000 0.475 237 K N 0.214 120.350 120.400 -0.441 0.000 2.097 237 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 237 K C 2.335 178.778 176.600 -0.262 0.000 1.050 237 K CA 1.026 57.063 56.287 -0.416 0.000 0.938 237 K CB -0.516 31.862 32.500 -0.204 0.000 0.718 237 K HN 0.366 nan 8.250 nan 0.000 0.442 238 A N 1.555 124.227 122.820 -0.247 0.000 1.873 238 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 238 A C 2.125 179.667 177.584 -0.070 0.000 1.186 238 A CA 1.218 53.173 52.037 -0.136 0.000 0.616 238 A CB -0.616 18.270 19.000 -0.191 0.000 0.823 238 A HN 0.140 nan 8.150 nan 0.000 0.442 239 L N -0.791 120.375 121.223 -0.096 0.000 2.141 239 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 239 L C 3.007 179.766 176.870 -0.186 0.000 1.094 239 L CA 0.829 55.630 54.840 -0.065 0.000 0.763 239 L CB -0.432 41.672 42.059 0.075 0.000 0.908 239 L HN 0.433 nan 8.230 nan 0.000 0.437 240 A N 0.302 123.034 122.820 -0.148 0.000 1.898 240 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 240 A C 2.413 179.979 177.584 -0.030 0.000 1.181 240 A CA 1.569 53.536 52.037 -0.116 0.000 0.620 240 A CB -1.218 17.645 19.000 -0.229 0.000 0.819 240 A HN 0.407 nan 8.150 nan 0.000 0.442 241 G N -1.475 107.291 108.800 -0.056 0.000 2.432 241 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 241 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 241 G C 1.428 176.290 174.900 -0.063 0.000 1.135 241 G CA 1.112 46.192 45.100 -0.033 0.000 0.767 241 G HN 0.495 nan 8.290 nan 0.000 0.550 242 F N 1.113 120.948 119.950 -0.192 0.000 2.128 242 F HA 0.096 4.623 4.527 -0.000 0.000 0.295 242 F C 2.422 178.056 175.800 -0.277 0.000 1.100 242 F CA 0.994 58.884 58.000 -0.184 0.000 1.260 242 F CB -0.094 38.824 39.000 -0.135 0.000 1.009 242 F HN 0.082 nan 8.300 nan 0.000 0.476 243 I N 0.348 120.636 120.570 -0.470 0.000 2.226 243 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 243 I C 2.739 178.189 176.117 -1.111 0.000 1.100 243 I CA 1.499 62.183 61.300 -1.027 0.000 1.374 243 I CB -1.231 35.964 38.000 -1.343 0.000 1.057 243 I HN 0.316 nan 8.210 nan 0.000 0.413 244 G N -0.165 108.051 108.800 -0.973 0.000 2.422 244 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 244 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 244 G C 1.710 176.363 174.900 -0.411 0.000 1.146 244 G CA 0.920 45.525 45.100 -0.826 0.000 0.769 244 G HN 0.384 nan 8.290 nan 0.000 0.547 245 S N 0.212 115.689 115.700 -0.372 0.000 2.440 245 S HA -0.123 4.347 4.470 -0.000 0.000 0.240 245 S C 1.659 175.985 174.600 -0.456 0.000 1.014 245 S CA 0.814 58.779 58.200 -0.392 0.000 0.980 245 S CB -0.376 62.508 63.200 -0.526 0.000 0.775 245 S HN 0.644 nan 8.310 nan 0.000 0.499 246 H N 0.432 119.275 119.070 -0.379 0.000 2.526 246 H HA 0.201 4.757 4.556 -0.000 0.000 0.274 246 H C 2.076 177.297 175.328 -0.178 0.000 0.999 246 H CA 0.723 56.619 56.048 -0.255 0.000 1.157 246 H CB -0.002 29.621 29.762 -0.232 0.000 1.407 246 H HN 0.517 nan 8.280 nan 0.000 0.568 247 S N 0.243 115.931 115.700 -0.019 0.000 2.447 247 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 247 S C 2.256 176.851 174.600 -0.007 0.000 1.006 247 S CA 0.815 59.052 58.200 0.061 0.000 0.957 247 S CB -0.408 62.862 63.200 0.116 0.000 0.773 247 S HN 0.399 nan 8.310 nan 0.000 0.507 248 G N 1.010 109.788 108.800 -0.036 0.000 2.744 248 G HA2 0.123 4.083 3.960 -0.000 0.000 0.211 248 G HA3 0.123 4.083 3.960 -0.000 0.000 0.211 248 G C 1.037 175.915 174.900 -0.037 0.000 1.143 248 G CA 0.476 45.556 45.100 -0.033 0.000 0.788 248 G HN 0.714 nan 8.290 nan 0.000 0.534 249 S N -0.915 114.760 115.700 -0.042 0.000 2.663 249 S HA 0.583 5.053 4.470 -0.000 0.000 0.243 249 S C -0.224 174.344 174.600 -0.054 0.000 1.009 249 S CA -0.444 57.735 58.200 -0.034 0.000 0.988 249 S CB 1.110 64.303 63.200 -0.011 0.000 0.896 249 S HN 0.013 nan 8.310 nan 0.000 0.502 250 V N 1.378 121.237 119.914 -0.092 0.000 3.048 250 V HA 0.367 4.487 4.120 -0.000 0.000 0.303 250 V C -0.680 175.331 176.094 -0.138 0.000 1.214 250 V CA -0.568 61.637 62.300 -0.158 0.000 0.984 250 V CB 2.542 34.181 31.823 -0.307 0.000 1.054 250 V HN 0.084 nan 8.190 nan 0.000 0.430 251 Q N 1.244 120.978 119.800 -0.110 0.000 2.396 251 Q HA 0.287 4.626 4.340 -0.000 0.000 0.220 251 Q C 0.654 176.640 176.000 -0.023 0.000 0.900 251 Q CA 0.740 56.516 55.803 -0.046 0.000 0.925 251 Q CB 0.882 29.606 28.738 -0.023 0.000 1.065 251 Q HN 0.872 nan 8.270 nan 0.000 0.535 252 S N -1.212 114.443 115.700 -0.075 0.000 2.638 252 S HA 0.745 5.215 4.470 -0.000 0.000 0.274 252 S C -1.072 173.467 174.600 -0.102 0.000 1.157 252 S CA -0.838 57.378 58.200 0.027 0.000 0.826 252 S CB 1.156 64.415 63.200 0.099 0.000 1.139 252 S HN -0.032 nan 8.310 nan 0.000 0.474 253 F N 1.011 121.082 119.950 0.201 0.000 2.520 253 F HA 0.586 5.113 4.527 0.000 0.000 0.322 253 F C 0.364 176.399 175.800 0.391 0.000 1.103 253 F CA -0.405 57.744 58.000 0.248 0.000 0.926 253 F CB 2.031 41.145 39.000 0.190 0.000 1.154 253 F HN 0.797 nan 8.300 nan 0.000 0.453 254 H N 2.128 121.468 119.070 0.451 0.000 2.771 254 H HA 0.278 4.834 4.556 -0.000 0.000 0.361 254 H C -2.149 173.492 175.328 0.523 0.000 1.108 254 H CA -0.702 55.592 56.048 0.410 0.000 1.201 254 H CB 1.900 31.815 29.762 0.256 0.000 1.681 254 H HN 0.760 nan 8.280 nan 0.000 0.534 255 W N 7.213 128.423 121.300 -0.151 0.000 3.036 255 W HA 0.402 5.062 4.660 -0.000 0.000 0.337 255 W C -2.053 174.439 176.519 -0.045 0.000 1.055 255 W CA -1.154 56.193 57.345 0.003 0.000 1.248 255 W CB 0.554 30.151 29.460 0.227 0.000 1.335 255 W HN 0.443 nan 8.180 nan 0.000 0.446 256 I N 8.130 128.706 120.570 0.011 0.000 2.312 256 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 256 I C 0.087 176.066 176.117 -0.230 0.000 1.008 256 I CA -0.377 60.838 61.300 -0.142 0.000 1.226 256 I CB 0.656 38.594 38.000 -0.104 0.000 1.371 256 I HN 0.413 nan 8.210 nan 0.000 0.468 257 N N 4.615 123.089 118.700 -0.376 0.000 2.761 257 N HA 0.474 5.214 4.740 -0.000 0.000 0.283 257 N C -0.306 175.116 175.510 -0.148 0.000 1.377 257 N CA -0.802 52.078 53.050 -0.282 0.000 0.791 257 N CB 0.668 38.855 38.487 -0.501 0.000 1.540 257 N HN 0.420 nan 8.380 nan 0.000 0.539 258 G N -0.841 107.927 108.800 -0.053 0.000 2.442 258 G HA2 0.365 4.325 3.960 -0.000 0.000 0.249 258 G HA3 0.365 4.325 3.960 -0.000 0.000 0.249 258 G C -1.231 173.745 174.900 0.126 0.000 1.263 258 G CA -0.262 44.869 45.100 0.052 0.000 0.846 258 G HN 0.438 nan 8.290 nan 0.000 0.555 259 F N 2.509 122.470 119.950 0.018 0.000 2.436 259 F HA 0.584 5.111 4.527 -0.000 0.000 0.340 259 F C 0.556 176.386 175.800 0.050 0.000 1.113 259 F CA -1.442 56.562 58.000 0.007 0.000 1.022 259 F CB 2.151 41.147 39.000 -0.006 0.000 1.128 259 F HN 0.478 nan 8.300 nan 0.000 0.466 260 A N 3.411 125.844 122.820 -0.644 0.000 2.571 260 A HA 0.555 4.875 4.320 -0.000 0.000 0.274 260 A C 1.070 178.258 177.584 -0.659 0.000 1.196 260 A CA 0.334 52.095 52.037 -0.460 0.000 0.957 260 A CB -0.587 18.282 19.000 -0.218 0.000 1.150 260 A HN 1.692 nan 8.150 nan 0.000 0.539 261 G N -0.863 107.144 108.800 -1.322 0.000 2.255 261 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.196 261 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.196 261 G C -0.042 174.618 174.900 -0.400 0.000 0.998 261 G CA 0.185 44.836 45.100 -0.747 0.000 0.656 261 G HN 0.699 nan 8.290 nan 0.000 0.490 262 K N 1.488 121.679 120.400 -0.349 0.000 2.581 262 K HA 0.541 4.861 4.320 -0.000 0.000 0.249 262 K C -0.714 175.991 176.600 0.175 0.000 0.966 262 K CA -0.333 55.954 56.287 0.000 0.000 0.811 262 K CB 1.442 33.911 32.500 -0.052 0.000 1.223 262 K HN 0.260 nan 8.250 nan 0.000 0.438 263 D N 2.707 123.284 120.400 0.296 0.000 2.383 263 D HA 0.109 4.749 4.640 -0.000 0.000 0.248 263 D C 0.491 176.937 176.300 0.244 0.000 1.170 263 D CA -0.491 53.707 54.000 0.329 0.000 0.977 263 D CB 0.638 41.566 40.800 0.212 0.000 1.120 263 D HN 0.296 nan 8.370 nan 0.000 0.481 264 L N 0.551 121.967 121.223 0.323 0.000 2.591 264 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 264 L C 1.711 178.665 176.870 0.140 0.000 1.133 264 L CA 0.384 55.306 54.840 0.136 0.000 0.880 264 L CB -1.916 40.140 42.059 -0.005 0.000 1.033 264 L HN 0.477 nan 8.230 nan 0.000 0.450 265 N N 0.868 119.700 118.700 0.219 0.000 2.272 265 N HA -0.204 4.536 4.740 -0.000 0.000 0.185 265 N C 1.398 176.947 175.510 0.065 0.000 1.014 265 N CA 1.478 54.618 53.050 0.149 0.000 0.870 265 N CB 0.084 38.657 38.487 0.143 0.000 0.975 265 N HN 0.526 nan 8.380 nan 0.000 0.433 266 D N -0.772 119.659 120.400 0.052 0.000 2.347 266 D HA -0.078 4.562 4.640 -0.000 0.000 0.213 266 D C 0.986 177.291 176.300 0.008 0.000 0.985 266 D CA -0.039 53.974 54.000 0.022 0.000 0.879 266 D CB -0.142 40.669 40.800 0.018 0.000 0.919 266 D HN 0.248 nan 8.370 nan 0.000 0.526 270 T N 3.419 117.951 114.554 -0.037 0.000 2.809 270 T HA 0.431 4.781 4.350 -0.000 0.000 0.296 270 T C -2.727 171.961 174.700 -0.021 0.000 1.015 270 T CA -0.997 61.089 62.100 -0.023 0.000 0.954 270 T CB 1.973 70.830 68.868 -0.019 0.000 0.950 270 T HN 0.003 nan 8.240 nan 0.000 0.450 271 P HA 0.284 nan 4.420 nan 0.000 0.235 271 P C 0.315 177.630 177.300 0.024 0.000 1.765 271 P CA -0.242 62.865 63.100 0.012 0.000 1.034 271 P CB -0.198 31.513 31.700 0.018 0.000 1.984 272 A N 1.232 124.064 122.820 0.020 0.000 2.275 272 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 272 A C 1.193 178.821 177.584 0.073 0.000 1.201 272 A CA -0.066 51.994 52.037 0.038 0.000 0.843 272 A CB -0.109 18.907 19.000 0.028 0.000 0.873 272 A HN 0.455 nan 8.150 nan 0.000 0.492 273 A N 0.377 123.256 122.820 0.099 0.000 2.401 273 A HA 0.486 4.806 4.320 -0.000 0.000 0.259 273 A C 0.666 178.327 177.584 0.128 0.000 1.103 273 A CA 0.213 52.352 52.037 0.169 0.000 0.789 273 A CB 0.024 19.200 19.000 0.292 0.000 1.035 273 A HN 0.547 nan 8.150 nan 0.000 0.491 274 S N 2.011 117.785 115.700 0.123 0.000 2.488 274 S HA 0.392 4.862 4.470 -0.000 0.000 0.278 274 S C -0.332 174.274 174.600 0.011 0.000 1.259 274 S CA -0.379 57.859 58.200 0.064 0.000 1.061 274 S CB -0.273 62.971 63.200 0.074 0.000 0.910 274 S HN 0.703 nan 8.310 nan 0.000 0.491 275 V N 6.967 126.828 119.914 -0.088 0.000 2.378 275 V HA 0.495 4.615 4.120 -0.000 0.000 0.288 275 V C 0.104 176.043 176.094 -0.258 0.000 1.016 275 V CA -0.746 61.386 62.300 -0.279 0.000 0.840 275 V CB 1.439 33.060 31.823 -0.336 0.000 0.994 275 V HN 0.822 nan 8.190 nan 0.000 0.431 276 K N 4.615 124.845 120.400 -0.282 0.000 2.292 276 K HA 0.594 4.914 4.320 -0.000 0.000 0.257 276 K C -1.314 175.099 176.600 -0.311 0.000 0.940 276 K CA -0.821 55.332 56.287 -0.223 0.000 0.811 276 K CB 1.622 34.049 32.500 -0.122 0.000 1.120 276 K HN 0.434 nan 8.250 nan 0.000 0.428 277 I N 5.836 126.220 120.570 -0.309 0.000 2.315 277 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 277 I C -0.043 175.970 176.117 -0.173 0.000 1.006 277 I CA -0.655 60.430 61.300 -0.358 0.000 1.265 277 I CB 0.661 38.404 38.000 -0.428 0.000 1.387 277 I HN 0.471 nan 8.210 nan 0.000 0.475 278 L N 7.996 129.149 121.223 -0.116 0.000 2.317 278 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 278 L C -2.229 174.685 176.870 0.074 0.000 1.024 278 L CA -1.904 52.924 54.840 -0.020 0.000 0.810 278 L CB 1.496 43.543 42.059 -0.020 0.000 1.240 278 L HN 0.280 nan 8.230 nan 0.000 0.427 279 P HA 0.010 nan 4.420 nan 0.000 0.265 279 P C -1.342 176.175 177.300 0.363 0.000 1.193 279 P CA 0.377 63.579 63.100 0.170 0.000 0.765 279 P CB 0.334 32.054 31.700 0.034 0.000 0.823 284 R N 0.994 121.421 120.500 -0.122 0.000 2.673 284 R HA 0.778 5.117 4.340 -0.000 0.000 0.281 284 R C -1.198 174.932 176.300 -0.284 0.000 0.991 284 R CA -0.801 55.108 56.100 -0.319 0.000 0.896 284 R CB 1.150 31.068 30.300 -0.638 0.000 1.201 284 R HN 0.511 nan 8.270 nan 0.000 0.457 285 I N 2.882 123.237 120.570 -0.358 0.000 2.752 285 I HA -0.110 4.060 4.170 -0.000 0.000 0.289 285 I C 0.933 176.901 176.117 -0.249 0.000 1.197 285 I CA 0.165 61.185 61.300 -0.467 0.000 1.432 285 I CB 0.949 38.590 38.000 -0.599 0.000 1.359 285 I HN 0.539 nan 8.210 nan 0.000 0.571 286 V N 4.259 124.084 119.914 -0.148 0.000 2.502 286 V HA 0.070 4.190 4.120 -0.000 0.000 0.234 286 V C 0.892 177.109 176.094 0.205 0.000 1.072 286 V CA 0.765 63.092 62.300 0.044 0.000 1.094 286 V CB -0.128 31.720 31.823 0.041 0.000 0.761 286 V HN 0.665 nan 8.190 nan 0.000 0.489 287 E N 1.194 121.461 120.200 0.111 0.000 2.035 287 E HA 0.178 4.528 4.350 -0.000 0.000 0.271 287 E C 0.513 177.140 176.600 0.044 0.000 0.953 287 E CA -0.307 56.183 56.400 0.150 0.000 0.777 287 E CB 1.509 31.242 29.700 0.055 0.000 1.104 287 E HN 0.220 nan 8.360 nan 0.000 0.408 288 L N 5.036 126.237 121.223 -0.036 0.000 2.046 288 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 288 L C 2.235 178.952 176.870 -0.256 0.000 1.077 288 L CA 2.110 56.799 54.840 -0.252 0.000 0.747 288 L CB -0.295 41.435 42.059 -0.550 0.000 0.896 288 L HN 0.593 nan 8.230 nan 0.000 0.432 289 Q N -1.443 118.219 119.800 -0.230 0.000 2.046 289 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 289 Q C 1.931 177.927 176.000 -0.008 0.000 0.975 289 Q CA 2.331 58.050 55.803 -0.139 0.000 0.836 289 Q CB -0.141 28.625 28.738 0.046 0.000 0.896 289 Q HN 0.548 nan 8.270 nan 0.000 0.428 290 T N 0.888 115.471 114.554 0.047 0.000 2.665 290 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 290 T C 1.321 176.109 174.700 0.147 0.000 1.035 290 T CA 1.569 63.725 62.100 0.094 0.000 1.151 290 T CB -0.599 68.332 68.868 0.104 0.000 0.862 290 T HN 0.352 nan 8.240 nan 0.000 0.438 291 F N 1.509 121.440 119.950 -0.033 0.000 2.069 291 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 291 F C 2.012 177.813 175.800 0.001 0.000 1.113 291 F CA 1.300 59.253 58.000 -0.079 0.000 1.214 291 F CB -0.436 38.382 39.000 -0.304 0.000 0.978 291 F HN 0.053 nan 8.300 nan 0.000 0.474 292 L N -0.405 120.746 121.223 -0.120 0.000 2.179 292 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 292 L C 2.261 179.137 176.870 0.011 0.000 1.096 292 L CA 1.092 55.823 54.840 -0.182 0.000 0.779 292 L CB -0.651 41.274 42.059 -0.222 0.000 0.922 292 L HN 0.172 nan 8.230 nan 0.000 0.443 293 E N 0.223 120.440 120.200 0.027 0.000 2.150 293 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 293 E C 1.911 178.547 176.600 0.060 0.000 0.985 293 E CA 0.955 57.394 56.400 0.066 0.000 0.814 293 E CB 0.122 29.856 29.700 0.056 0.000 0.752 293 E HN 0.334 nan 8.360 nan 0.000 0.466 294 K N -0.115 120.303 120.400 0.030 0.000 2.400 294 K HA -0.006 4.314 4.320 -0.000 0.000 0.194 294 K C 0.048 176.598 176.600 -0.084 0.000 1.033 294 K CA -0.200 56.057 56.287 -0.050 0.000 1.021 294 K CB 0.157 32.575 32.500 -0.135 0.000 0.808 294 K HN 0.089 nan 8.250 nan 0.000 0.505 295 Y N 3.474 123.642 120.300 -0.219 0.000 2.717 295 Y HA -0.026 4.524 4.550 -0.000 0.000 0.330 295 Y C -2.068 173.644 175.900 -0.313 0.000 1.217 295 Y CA -1.859 56.014 58.100 -0.379 0.000 1.506 295 Y CB 0.629 38.606 38.460 -0.806 0.000 1.268 295 Y HN 0.005 nan 8.280 nan 0.000 0.561 296 P HA 0.078 nan 4.420 nan 0.000 0.247 296 P C -1.059 176.162 177.300 -0.133 0.000 1.756 296 P CA 0.180 63.135 63.100 -0.242 0.000 1.117 296 P CB -0.677 30.861 31.700 -0.269 0.000 1.869 297 F N 1.117 121.204 119.950 0.228 0.000 2.450 297 F HA 0.121 4.647 4.527 -0.000 0.000 0.339 297 F C 1.623 177.497 175.800 0.124 0.000 1.146 297 F CA 0.078 58.239 58.000 0.269 0.000 1.267 297 F CB 0.308 39.453 39.000 0.241 0.000 1.178 297 F HN 0.151 nan 8.300 nan 0.000 0.585 298 Q N 1.273 121.256 119.800 0.305 0.000 2.361 298 Q HA 0.101 4.441 4.340 -0.000 0.000 0.276 298 Q C 0.093 176.188 176.000 0.159 0.000 1.022 298 Q CA -0.155 55.748 55.803 0.167 0.000 0.898 298 Q CB 0.590 29.409 28.738 0.135 0.000 1.246 298 Q HN 0.744 nan 8.270 nan 0.000 0.410 299 S N 0.110 115.873 115.700 0.105 0.000 2.589 299 S HA 0.669 5.139 4.470 -0.000 0.000 0.265 299 S C 0.612 175.257 174.600 0.074 0.000 1.342 299 S CA -0.061 58.190 58.200 0.084 0.000 1.005 299 S CB 1.162 64.397 63.200 0.058 0.000 0.909 299 S HN 0.849 nan 8.310 nan 0.000 0.555 300 G N 0.651 109.488 108.800 0.061 0.000 2.552 300 G HA2 0.356 4.316 3.960 -0.000 0.000 0.137 300 G HA3 0.356 4.316 3.960 -0.000 0.000 0.137 300 G C -1.914 173.009 174.900 0.039 0.000 1.135 300 G CA -0.842 44.289 45.100 0.052 0.000 1.047 300 G HN 0.692 nan 8.290 nan 0.000 0.501 301 E N 0.493 120.713 120.200 0.034 0.000 2.212 301 E HA 0.442 4.792 4.350 -0.000 0.000 0.270 301 E C -0.422 176.184 176.600 0.010 0.000 0.956 301 E CA -0.874 55.537 56.400 0.018 0.000 0.825 301 E CB 2.395 32.101 29.700 0.011 0.000 1.167 301 E HN 0.518 nan 8.360 nan 0.000 0.400 302 K N 1.900 122.298 120.400 -0.003 0.000 2.524 302 K HA -0.043 4.277 4.320 -0.000 0.000 0.279 302 K C -0.672 175.902 176.600 -0.044 0.000 0.993 302 K CA 0.853 57.129 56.287 -0.018 0.000 1.030 302 K CB 0.420 32.908 32.500 -0.020 0.000 0.891 302 K HN 0.450 nan 8.250 nan 0.000 0.488 303 E N 1.715 121.874 120.200 -0.067 0.000 2.408 303 E HA 0.306 4.655 4.350 -0.000 0.000 0.275 303 E C -1.457 175.008 176.600 -0.226 0.000 0.935 303 E CA -0.988 55.309 56.400 -0.173 0.000 0.775 303 E CB 2.459 32.053 29.700 -0.177 0.000 1.277 303 E HN 0.557 nan 8.360 nan 0.000 0.455 304 T N 1.166 115.499 114.554 -0.368 0.000 2.848 304 T HA 0.503 4.853 4.350 -0.000 0.000 0.285 304 T C -1.350 173.081 174.700 -0.449 0.000 0.995 304 T CA -0.667 61.278 62.100 -0.258 0.000 0.970 304 T CB 0.453 69.242 68.868 -0.132 0.000 0.976 304 T HN 0.264 nan 8.240 nan 0.000 0.441 305 Y N 1.192 121.490 120.300 -0.002 0.000 2.409 305 Y HA 0.519 5.069 4.550 -0.000 0.000 0.343 305 Y C 0.679 176.606 175.900 0.045 0.000 0.973 305 Y CA -1.083 57.035 58.100 0.030 0.000 1.064 305 Y CB 1.777 40.262 38.460 0.042 0.000 1.207 305 Y HN 0.692 nan 8.280 nan 0.000 0.452 306 S N 3.925 119.735 115.700 0.184 0.000 2.480 306 S HA 0.802 5.272 4.470 -0.000 0.000 0.286 306 S C -0.964 173.751 174.600 0.192 0.000 1.180 306 S CA -0.740 57.553 58.200 0.156 0.000 1.075 306 S CB 0.545 63.807 63.200 0.103 0.000 0.996 306 S HN 0.595 nan 8.310 nan 0.000 0.487 307 L N 2.158 123.484 121.223 0.173 0.000 2.385 307 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 307 L C -0.066 176.925 176.870 0.202 0.000 0.990 307 L CA -0.533 54.392 54.840 0.141 0.000 0.821 307 L CB 1.942 43.886 42.059 -0.193 0.000 1.279 307 L HN 0.754 nan 8.230 nan 0.000 0.412 308 E N 2.857 123.239 120.200 0.303 0.000 2.151 308 E HA 0.551 4.901 4.350 -0.000 0.000 0.275 308 E C -1.469 175.374 176.600 0.405 0.000 0.936 308 E CA -0.791 55.782 56.400 0.288 0.000 0.777 308 E CB 1.719 31.552 29.700 0.221 0.000 1.108 308 E HN 0.377 nan 8.360 nan 0.000 0.401 309 I N 3.710 124.476 120.570 0.326 0.000 2.389 309 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 309 I C -0.105 176.150 176.117 0.230 0.000 0.999 309 I CA -0.371 61.133 61.300 0.341 0.000 1.129 309 I CB 1.753 39.854 38.000 0.168 0.000 1.288 309 I HN 0.493 nan 8.210 nan 0.000 0.444 310 E N 5.117 125.439 120.200 0.203 0.000 2.197 310 E HA 0.355 4.705 4.350 -0.000 0.000 0.281 310 E C -1.228 175.411 176.600 0.065 0.000 0.995 310 E CA -0.253 56.207 56.400 0.099 0.000 0.808 310 E CB 0.913 30.654 29.700 0.069 0.000 1.093 310 E HN 0.478 nan 8.360 nan 0.000 0.394 311 D N 3.206 123.607 120.400 0.003 0.000 2.474 311 D HA 0.013 4.653 4.640 -0.000 0.000 0.234 311 D C 0.262 176.503 176.300 -0.098 0.000 1.323 311 D CA -0.176 53.794 54.000 -0.051 0.000 0.915 311 D CB 0.726 41.461 40.800 -0.109 0.000 1.487 311 D HN 0.368 nan 8.370 nan 0.000 0.524 312 S N 2.088 117.765 115.700 -0.039 0.000 2.368 312 S HA -0.184 4.285 4.470 -0.000 0.000 0.225 312 S C 1.251 175.750 174.600 -0.167 0.000 1.030 312 S CA 1.154 59.306 58.200 -0.081 0.000 0.999 312 S CB -0.086 63.106 63.200 -0.014 0.000 0.844 312 S HN 0.532 nan 8.310 nan 0.000 0.459 313 Y N 0.691 120.931 120.300 -0.101 0.000 2.466 313 Y HA 0.402 4.952 4.550 -0.000 0.000 0.272 313 Y C 1.444 177.166 175.900 -0.296 0.000 1.169 313 Y CA 0.157 58.210 58.100 -0.079 0.000 1.285 313 Y CB 0.434 38.942 38.460 0.079 0.000 1.078 313 Y HN 0.389 nan 8.280 nan 0.000 0.523 314 G N -0.104 108.423 108.800 -0.455 0.000 4.782 314 G HA2 0.237 4.197 3.960 -0.000 0.000 0.327 314 G HA3 0.237 4.197 3.960 -0.000 0.000 0.327 314 G C -2.289 171.866 174.900 -1.241 0.000 1.466 314 G CA -1.029 43.303 45.100 -1.280 0.000 1.017 314 G HN -0.040 nan 8.290 nan 0.000 0.543 315 P HA -0.092 nan 4.420 nan 0.000 0.223 315 P C 1.459 178.643 177.300 -0.193 0.000 1.151 315 P CA 0.546 63.435 63.100 -0.352 0.000 0.787 315 P CB 0.013 31.631 31.700 -0.136 0.000 0.788 316 W N -0.494 120.859 121.300 0.090 0.000 2.525 316 W HA 0.033 4.693 4.660 -0.000 0.000 0.259 316 W C 1.174 177.843 176.519 0.250 0.000 1.253 316 W CA 0.464 57.887 57.345 0.131 0.000 1.262 316 W CB -2.037 27.487 29.460 0.107 0.000 1.122 316 W HN -0.146 nan 8.180 nan 0.000 0.607 317 N N 0.712 119.326 118.700 -0.144 0.000 2.424 317 N HA -0.023 4.717 4.740 -0.000 0.000 0.178 317 N C 0.054 175.768 175.510 0.339 0.000 1.060 317 N CA 0.528 53.657 53.050 0.132 0.000 0.901 317 N CB -0.177 38.218 38.487 -0.154 0.000 0.979 317 N HN 0.403 nan 8.380 nan 0.000 0.451 318 E N 0.201 120.492 120.200 0.151 0.000 2.373 318 E HA 0.415 4.765 4.350 -0.000 0.000 0.263 318 E C 0.656 177.331 176.600 0.125 0.000 1.073 318 E CA -0.030 56.452 56.400 0.136 0.000 0.894 318 E CB 0.865 30.574 29.700 0.014 0.000 1.008 318 E HN 0.248 nan 8.360 nan 0.000 0.420 319 G N 1.332 110.188 108.800 0.095 0.000 2.409 319 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.421 319 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.421 319 G C -0.843 174.052 174.900 -0.008 0.000 1.259 319 G CA -0.911 44.175 45.100 -0.024 0.000 1.011 319 G HN 0.450 nan 8.290 nan 0.000 0.497 320 I N 0.097 120.589 120.570 -0.130 0.000 2.353 320 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 320 I C -0.420 175.579 176.117 -0.195 0.000 0.992 320 I CA -0.337 60.938 61.300 -0.042 0.000 1.268 320 I CB 1.177 39.164 38.000 -0.022 0.000 1.387 320 I HN 0.467 nan 8.210 nan 0.000 0.478 321 W N 3.949 125.234 121.300 -0.026 0.000 2.666 321 W HA 0.495 5.155 4.660 -0.000 0.000 0.334 321 W C -0.318 176.191 176.519 -0.016 0.000 1.051 321 W CA -0.508 56.818 57.345 -0.033 0.000 1.224 321 W CB 1.794 31.210 29.460 -0.074 0.000 1.405 321 W HN 0.219 nan 8.180 nan 0.000 0.513 322 T N 4.180 118.853 114.554 0.198 0.000 2.795 322 T HA 0.573 4.923 4.350 -0.000 0.000 0.282 322 T C -0.870 173.917 174.700 0.146 0.000 0.980 322 T CA -0.500 61.680 62.100 0.133 0.000 1.012 322 T CB 0.970 69.879 68.868 0.068 0.000 0.936 322 T HN 0.403 nan 8.240 nan 0.000 0.457 323 I N 3.107 123.750 120.570 0.121 0.000 2.447 323 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 323 I C -0.507 175.644 176.117 0.057 0.000 1.023 323 I CA -0.399 60.953 61.300 0.087 0.000 1.083 323 I CB 1.509 39.552 38.000 0.073 0.000 1.245 323 I HN 0.644 nan 8.210 nan 0.000 0.434 324 T N 7.550 122.113 114.554 0.015 0.000 2.786 324 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 324 T C -0.667 174.005 174.700 -0.047 0.000 0.992 324 T CA -0.447 61.643 62.100 -0.017 0.000 0.954 324 T CB 0.610 69.468 68.868 -0.016 0.000 0.934 324 T HN 0.439 nan 8.240 nan 0.000 0.440 325 I N 5.645 126.165 120.570 -0.082 0.000 2.330 325 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 325 I C 0.380 176.467 176.117 -0.051 0.000 1.001 325 I CA -0.886 60.326 61.300 -0.146 0.000 1.193 325 I CB 1.241 39.053 38.000 -0.313 0.000 1.345 325 I HN 0.757 nan 8.210 nan 0.000 0.461 326 D N 4.245 124.639 120.400 -0.009 0.000 2.440 326 D HA 0.067 4.707 4.640 -0.000 0.000 0.269 326 D C 0.729 177.044 176.300 0.025 0.000 1.249 326 D CA -0.245 53.761 54.000 0.010 0.000 1.055 326 D CB 0.689 41.501 40.800 0.019 0.000 1.104 326 D HN 0.383 nan 8.370 nan 0.000 0.561 327 E N -1.162 119.054 120.200 0.026 0.000 2.274 327 E HA -0.044 4.306 4.350 -0.000 0.000 0.194 327 E C 0.586 177.213 176.600 0.045 0.000 0.996 327 E CA 0.960 57.379 56.400 0.031 0.000 0.840 327 E CB -0.081 29.632 29.700 0.022 0.000 0.772 327 E HN 0.337 nan 8.360 nan 0.000 0.491 328 Q N -1.080 118.750 119.800 0.049 0.000 2.315 328 Q HA 0.394 4.734 4.340 -0.000 0.000 0.166 328 Q C 1.703 177.762 176.000 0.098 0.000 1.056 328 Q CA 0.547 56.386 55.803 0.060 0.000 1.061 328 Q CB -0.348 28.419 28.738 0.047 0.000 1.981 328 Q HN 0.175 nan 8.270 nan 0.000 0.530 329 G N -0.252 108.616 108.800 0.113 0.000 2.470 329 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 329 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 329 G C -0.186 174.868 174.900 0.255 0.000 1.121 329 G CA 0.519 45.737 45.100 0.197 0.000 0.766 329 G HN 0.168 nan 8.290 nan 0.000 0.553 330 K N 1.032 121.526 120.400 0.157 0.000 2.339 330 K HA 0.564 4.884 4.320 -0.000 0.000 0.286 330 K C 0.117 176.796 176.600 0.132 0.000 1.050 330 K CA 0.065 56.441 56.287 0.150 0.000 0.956 330 K CB 1.495 34.045 32.500 0.084 0.000 0.990 330 K HN 0.151 nan 8.250 nan 0.000 0.475 331 A N 2.207 125.134 122.820 0.179 0.000 2.306 331 A HA 0.522 4.842 4.320 -0.000 0.000 0.314 331 A C -0.144 177.485 177.584 0.075 0.000 1.164 331 A CA -0.623 51.466 52.037 0.088 0.000 0.822 331 A CB 0.402 19.493 19.000 0.152 0.000 1.130 331 A HN 0.736 nan 8.150 nan 0.000 0.496 332 T N -0.674 113.908 114.554 0.047 0.000 2.859 332 T HA 0.650 5.000 4.350 -0.000 0.000 0.281 332 T C -0.634 174.108 174.700 0.070 0.000 1.005 332 T CA -0.613 61.521 62.100 0.057 0.000 1.025 332 T CB 1.147 70.042 68.868 0.046 0.000 0.977 332 T HN 0.594 nan 8.240 nan 0.000 0.458 333 V N 3.251 123.225 119.914 0.100 0.000 2.531 333 V HA 0.653 4.773 4.120 -0.000 0.000 0.301 333 V C -0.093 176.137 176.094 0.226 0.000 1.034 333 V CA -0.620 61.774 62.300 0.157 0.000 0.865 333 V CB 1.941 33.835 31.823 0.119 0.000 0.995 333 V HN 1.194 nan 8.190 nan 0.000 0.424 334 T N 4.185 118.890 114.554 0.251 0.000 2.900 334 T HA 0.474 4.823 4.350 -0.000 0.000 0.295 334 T C -0.673 174.067 174.700 0.066 0.000 1.044 334 T CA -0.746 61.444 62.100 0.150 0.000 0.995 334 T CB 2.192 71.100 68.868 0.066 0.000 1.072 334 T HN 0.611 nan 8.240 nan 0.000 0.473 335 K N 0.693 120.978 120.400 -0.192 0.000 2.130 335 K HA 0.571 4.891 4.320 -0.000 0.000 0.268 335 K C 0.567 176.966 176.600 -0.335 0.000 0.983 335 K CA -0.030 55.901 56.287 -0.593 0.000 0.893 335 K CB 0.846 32.822 32.500 -0.874 0.000 1.066 335 K HN 0.930 nan 8.250 nan 0.000 0.450 336 G N 1.705 110.311 108.800 -0.323 0.000 2.427 336 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.193 336 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.193 336 G C -0.127 174.707 174.900 -0.109 0.000 1.086 336 G CA -0.178 44.806 45.100 -0.193 0.000 0.818 336 G HN 0.803 nan 8.290 nan 0.000 0.490 345 A N 0.990 123.889 122.820 0.132 0.000 1.897 345 A HA 0.417 4.736 4.320 -0.000 0.000 0.215 345 A C 0.587 178.268 177.584 0.161 0.000 1.181 345 A CA 1.474 53.591 52.037 0.134 0.000 0.620 345 A CB -0.266 18.824 19.000 0.151 0.000 0.821 345 A HN 0.945 nan 8.150 nan 0.000 0.443 346 L N -0.663 120.699 121.223 0.232 0.000 2.346 346 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 346 L C -0.068 177.016 176.870 0.358 0.000 1.006 346 L CA -0.358 54.646 54.840 0.274 0.000 0.817 346 L CB 1.582 43.872 42.059 0.386 0.000 1.272 346 L HN 0.281 nan 8.230 nan 0.000 0.421 347 K N 2.131 122.670 120.400 0.232 0.000 2.397 347 K HA 0.925 5.245 4.320 -0.000 0.000 0.253 347 K C -1.529 175.101 176.600 0.050 0.000 0.932 347 K CA -0.411 56.022 56.287 0.244 0.000 0.795 347 K CB 2.243 34.826 32.500 0.139 0.000 1.159 347 K HN 0.767 nan 8.250 nan 0.000 0.424 348 A N 2.499 125.375 122.820 0.093 0.000 2.599 348 A HA 0.418 4.738 4.320 -0.000 0.000 0.290 348 A C -1.869 175.707 177.584 -0.012 0.000 1.101 348 A CA -0.887 50.971 52.037 -0.299 0.000 0.674 348 A CB 1.110 19.347 19.000 -1.272 0.000 1.277 348 A HN 0.857 nan 8.150 nan 0.000 0.419 349 D N -0.271 120.080 120.400 -0.083 0.000 2.312 349 D HA 0.348 4.988 4.640 -0.000 0.000 0.248 349 D C 0.841 177.207 176.300 0.110 0.000 1.086 349 D CA -0.597 53.430 54.000 0.046 0.000 0.948 349 D CB 0.592 41.391 40.800 -0.001 0.000 1.162 349 D HN 0.329 nan 8.370 nan 0.000 0.446 350 I N 0.269 120.931 120.570 0.153 0.000 2.335 350 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 350 I C 1.943 178.099 176.117 0.065 0.000 1.129 350 I CA 1.688 63.083 61.300 0.157 0.000 1.402 350 I CB -0.371 37.642 38.000 0.022 0.000 1.069 350 I HN 0.360 nan 8.210 nan 0.000 0.424 351 Q N -0.428 119.374 119.800 0.003 0.000 2.045 351 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 351 Q C 2.234 178.211 176.000 -0.039 0.000 0.991 351 Q CA 2.844 58.633 55.803 -0.025 0.000 0.851 351 Q CB -0.802 27.922 28.738 -0.023 0.000 0.911 351 Q HN 0.449 nan 8.270 nan 0.000 0.418 352 T N -0.641 113.853 114.554 -0.100 0.000 2.821 352 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 352 T C 1.113 175.703 174.700 -0.184 0.000 1.046 352 T CA 1.050 63.039 62.100 -0.186 0.000 1.139 352 T CB -0.359 68.306 68.868 -0.339 0.000 0.871 352 T HN 0.405 nan 8.240 nan 0.000 0.454 353 W N 1.381 122.663 121.300 -0.030 0.000 2.402 353 W HA -0.068 4.592 4.660 -0.000 0.000 0.286 353 W C 2.674 179.225 176.519 0.052 0.000 1.221 353 W CA 0.566 57.911 57.345 -0.001 0.000 1.257 353 W CB -0.568 28.950 29.460 0.096 0.000 1.120 353 W HN 0.140 nan 8.180 nan 0.000 0.551 354 T N -0.041 114.624 114.554 0.186 0.000 2.737 354 T HA -0.223 4.127 4.350 -0.000 0.000 0.265 354 T C 1.607 176.343 174.700 0.060 0.000 1.038 354 T CA 1.412 63.543 62.100 0.051 0.000 1.144 354 T CB -0.385 68.444 68.868 -0.064 0.000 0.866 354 T HN 0.197 nan 8.240 nan 0.000 0.434 355 Q N 0.141 119.960 119.800 0.032 0.000 2.096 355 Q HA -0.085 4.255 4.340 -0.000 0.000 0.204 355 Q C 2.336 178.398 176.000 0.104 0.000 0.982 355 Q CA 1.133 56.982 55.803 0.076 0.000 0.850 355 Q CB -0.332 28.462 28.738 0.093 0.000 0.901 355 Q HN 0.318 nan 8.270 nan 0.000 0.422 356 L N -0.370 120.867 121.223 0.022 0.000 1.994 356 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 356 L C 1.869 178.738 176.870 -0.001 0.000 1.071 356 L CA 1.777 56.571 54.840 -0.076 0.000 0.745 356 L CB -0.447 41.449 42.059 -0.272 0.000 0.892 356 L HN 0.122 nan 8.230 nan 0.000 0.431 357 F N -1.071 119.002 119.950 0.206 0.000 2.259 357 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 357 F C 2.108 178.200 175.800 0.486 0.000 1.088 357 F CA 0.599 58.760 58.000 0.269 0.000 1.358 357 F CB -0.129 39.026 39.000 0.259 0.000 1.040 357 F HN 0.000 nan 8.300 nan 0.000 0.505 358 L N -0.571 120.946 121.223 0.490 0.000 2.552 358 L HA 0.108 4.448 4.340 -0.000 0.000 0.227 358 L C 1.775 178.956 176.870 0.518 0.000 1.146 358 L CA 0.882 56.017 54.840 0.493 0.000 0.858 358 L CB -0.903 41.274 42.059 0.197 0.000 0.969 358 L HN 0.431 nan 8.230 nan 0.000 0.451 359 G N -1.209 107.808 108.800 0.361 0.000 2.157 359 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.239 359 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.239 359 G C 0.571 175.569 174.900 0.163 0.000 0.982 359 G CA 0.359 45.601 45.100 0.237 0.000 0.650 359 G HN 0.294 nan 8.290 nan 0.000 0.527 360 Y N 1.449 121.767 120.300 0.029 0.000 2.114 360 Y HA 0.110 4.660 4.550 -0.000 0.000 0.284 360 Y C 1.784 177.675 175.900 -0.015 0.000 1.143 360 Y CA 2.222 60.306 58.100 -0.027 0.000 1.135 360 Y CB 0.138 38.551 38.460 -0.078 0.000 0.980 360 Y HN 0.337 nan 8.280 nan 0.000 0.499 361 R N -0.241 120.238 120.500 -0.035 0.000 2.919 361 R HA 0.414 4.754 4.340 -0.000 0.000 0.260 361 R C -0.069 176.206 176.300 -0.041 0.000 1.067 361 R CA -0.231 55.808 56.100 -0.103 0.000 1.003 361 R CB 1.056 31.332 30.300 -0.041 0.000 1.192 361 R HN 0.193 nan 8.270 nan 0.000 0.488 362 S N -0.474 115.200 115.700 -0.044 0.000 2.652 362 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 362 S C 1.220 175.797 174.600 -0.037 0.000 1.243 362 S CA -0.236 57.944 58.200 -0.034 0.000 0.999 362 S CB 1.523 64.701 63.200 -0.035 0.000 0.973 362 S HN 0.681 nan 8.310 nan 0.000 0.544 363 A N 1.000 123.793 122.820 -0.046 0.000 1.908 363 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 363 A C 1.958 179.523 177.584 -0.032 0.000 1.181 363 A CA 1.946 53.947 52.037 -0.059 0.000 0.627 363 A CB -1.227 17.741 19.000 -0.054 0.000 0.818 363 A HN 0.906 nan 8.150 nan 0.000 0.445 364 E N -0.712 119.477 120.200 -0.020 0.000 2.031 364 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 364 E C 2.094 178.699 176.600 0.009 0.000 0.994 364 E CA 1.784 58.179 56.400 -0.009 0.000 0.800 364 E CB -0.777 28.907 29.700 -0.027 0.000 0.752 364 E HN 0.512 nan 8.360 nan 0.000 0.447 365 T N 0.706 115.265 114.554 0.008 0.000 2.708 365 T HA -0.087 4.263 4.350 -0.000 0.000 0.266 365 T C 1.772 176.578 174.700 0.177 0.000 1.037 365 T CA 0.998 63.143 62.100 0.075 0.000 1.146 365 T CB -0.244 68.672 68.868 0.081 0.000 0.865 365 T HN 0.042 nan 8.240 nan 0.000 0.435 366 L N 0.476 121.752 121.223 0.089 0.000 2.217 366 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 366 L C 2.776 179.661 176.870 0.025 0.000 1.107 366 L CA 0.634 55.510 54.840 0.060 0.000 0.783 366 L CB -0.397 41.631 42.059 -0.051 0.000 0.919 366 L HN 0.244 nan 8.230 nan 0.000 0.442 367 S N -0.158 115.546 115.700 0.007 0.000 2.355 367 S HA -0.196 4.274 4.470 -0.000 0.000 0.222 367 S C 1.962 176.566 174.600 0.007 0.000 1.031 367 S CA 1.081 59.275 58.200 -0.010 0.000 0.993 367 S CB -0.259 62.937 63.200 -0.006 0.000 0.859 367 S HN 0.408 nan 8.310 nan 0.000 0.453 368 F N 1.165 121.032 119.950 -0.139 0.000 2.102 368 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 368 F C 1.386 177.020 175.800 -0.276 0.000 1.105 368 F CA 1.482 59.330 58.000 -0.252 0.000 1.239 368 F CB -0.423 38.332 39.000 -0.409 0.000 0.991 368 F HN 0.263 nan 8.300 nan 0.000 0.474 369 Y N 1.249 121.641 120.300 0.154 0.000 2.519 369 Y HA 0.082 4.632 4.550 -0.000 0.000 0.311 369 Y C 0.734 176.600 175.900 -0.056 0.000 1.207 369 Y CA 0.435 58.558 58.100 0.038 0.000 1.289 369 Y CB -1.305 37.215 38.460 0.098 0.000 1.059 369 Y HN 0.237 nan 8.280 nan 0.000 0.507 370 E N -1.064 119.136 120.200 0.000 0.000 2.586 370 E HA -0.318 4.032 4.350 -0.000 0.000 0.259 370 E C 1.171 177.749 176.600 -0.036 0.000 1.107 370 E CA 0.357 56.730 56.400 -0.044 0.000 0.754 370 E CB -0.807 28.852 29.700 -0.069 0.000 1.335 370 E HN 0.598 nan 8.360 nan 0.000 0.411 371 R N -0.297 120.184 120.500 -0.032 0.000 2.112 371 R HA 0.085 4.425 4.340 -0.000 0.000 0.216 371 R C 0.910 177.098 176.300 -0.187 0.000 1.080 371 R CA 0.294 56.340 56.100 -0.090 0.000 0.996 371 R CB 0.120 30.376 30.300 -0.075 0.000 0.902 371 R HN 0.020 nan 8.270 nan 0.000 0.449 372 L N 2.776 123.879 121.223 -0.200 0.000 2.268 372 L HA 0.177 4.517 4.340 -0.000 0.000 0.289 372 L C -0.800 175.980 176.870 -0.150 0.000 1.064 372 L CA 0.061 54.733 54.840 -0.281 0.000 0.824 372 L CB 1.039 42.920 42.059 -0.298 0.000 1.202 372 L HN -0.013 nan 8.230 nan 0.000 0.433 373 Q N 3.455 123.186 119.800 -0.115 0.000 2.230 373 Q HA 0.843 5.183 4.340 -0.000 0.000 0.253 373 Q C 0.013 176.010 176.000 -0.004 0.000 0.919 373 Q CA -0.189 55.585 55.803 -0.049 0.000 0.908 373 Q CB 1.927 30.647 28.738 -0.030 0.000 1.245 373 Q HN 0.943 nan 8.270 nan 0.000 0.437 374 G N 1.299 110.102 108.800 0.006 0.000 2.347 374 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.477 374 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.477 374 G C -1.561 173.354 174.900 0.025 0.000 1.349 374 G CA -1.161 43.959 45.100 0.034 0.000 1.000 374 G HN 0.616 nan 8.290 nan 0.000 0.605 375 D N 0.502 120.924 120.400 0.037 0.000 2.662 375 D HA 0.294 4.934 4.640 -0.000 0.000 0.233 375 D C 1.697 178.016 176.300 0.033 0.000 1.129 375 D CA 1.075 55.094 54.000 0.032 0.000 0.851 375 D CB 1.185 42.012 40.800 0.044 0.000 1.152 375 D HN 1.021 nan 8.370 nan 0.000 0.507 376 A N 3.567 126.398 122.820 0.018 0.000 1.972 376 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 376 A C 2.172 179.774 177.584 0.031 0.000 1.169 376 A CA 2.007 54.055 52.037 0.018 0.000 0.635 376 A CB -0.475 18.532 19.000 0.011 0.000 0.810 376 A HN 0.663 nan 8.150 nan 0.000 0.446 377 T N -0.713 113.863 114.554 0.036 0.000 2.821 377 T HA -0.070 4.279 4.350 -0.000 0.000 0.267 377 T C 1.765 176.509 174.700 0.074 0.000 1.046 377 T CA 1.419 63.546 62.100 0.046 0.000 1.139 377 T CB -0.389 68.502 68.868 0.037 0.000 0.871 377 T HN 0.224 nan 8.240 nan 0.000 0.454 378 I N 1.954 122.580 120.570 0.094 0.000 2.179 378 I HA -0.005 4.164 4.170 -0.000 0.000 0.242 378 I C 2.983 179.194 176.117 0.158 0.000 1.088 378 I CA 1.155 62.554 61.300 0.165 0.000 1.357 378 I CB -1.874 36.231 38.000 0.175 0.000 1.051 378 I HN 0.277 nan 8.210 nan 0.000 0.409 379 A N 0.115 122.987 122.820 0.087 0.000 1.892 379 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 379 A C 2.311 179.906 177.584 0.018 0.000 1.188 379 A CA 1.886 53.941 52.037 0.030 0.000 0.631 379 A CB -0.822 18.181 19.000 0.004 0.000 0.822 379 A HN 0.511 nan 8.150 nan 0.000 0.447 380 Q N -1.049 118.772 119.800 0.034 0.000 2.045 380 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 380 Q C 2.490 178.520 176.000 0.049 0.000 0.991 380 Q CA 1.914 57.736 55.803 0.033 0.000 0.851 380 Q CB -0.195 28.565 28.738 0.037 0.000 0.911 380 Q HN 0.619 nan 8.270 nan 0.000 0.418 381 R N -0.045 120.511 120.500 0.094 0.000 2.092 381 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 381 R C 2.330 178.705 176.300 0.125 0.000 1.119 381 R CA 0.894 57.079 56.100 0.142 0.000 0.970 381 R CB -0.326 30.103 30.300 0.215 0.000 0.864 381 R HN 0.210 nan 8.270 nan 0.000 0.440 382 L N 0.312 121.524 121.223 -0.019 0.000 2.093 382 L HA 0.002 4.341 4.340 -0.000 0.000 0.208 382 L C 2.089 178.902 176.870 -0.095 0.000 1.085 382 L CA 1.958 56.604 54.840 -0.325 0.000 0.755 382 L CB -0.889 40.802 42.059 -0.614 0.000 0.904 382 L HN 0.147 nan 8.230 nan 0.000 0.435 383 G N -1.337 107.438 108.800 -0.042 0.000 2.450 383 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 383 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 383 G C 1.482 176.407 174.900 0.041 0.000 1.130 383 G CA 0.783 45.880 45.100 -0.005 0.000 0.760 383 G HN 0.535 nan 8.290 nan 0.000 0.557 384 Q N -0.511 119.322 119.800 0.054 0.000 2.291 384 Q HA 0.034 4.374 4.340 -0.000 0.000 0.205 384 Q C 2.419 178.487 176.000 0.113 0.000 0.970 384 Q CA 0.540 56.387 55.803 0.073 0.000 0.876 384 Q CB 0.102 28.883 28.738 0.071 0.000 0.935 384 Q HN 0.192 nan 8.270 nan 0.000 0.455 385 R N -0.327 120.264 120.500 0.153 0.000 2.276 385 R HA 0.161 4.501 4.340 -0.000 0.000 0.196 385 R C 0.485 177.019 176.300 0.391 0.000 0.961 385 R CA 0.232 56.488 56.100 0.260 0.000 1.024 385 R CB -0.115 30.333 30.300 0.245 0.000 0.940 385 R HN 0.238 nan 8.270 nan 0.000 0.480 386 L N 0.316 121.713 121.223 0.290 0.000 2.456 386 L HA 0.183 4.522 4.340 -0.000 0.000 0.257 386 L C 0.673 177.665 176.870 0.203 0.000 1.162 386 L CA -0.670 54.367 54.840 0.328 0.000 0.808 386 L CB 0.644 42.836 42.059 0.220 0.000 1.136 386 L HN -0.253 nan 8.230 nan 0.000 0.466 387 V N 1.380 121.401 119.914 0.178 0.000 2.872 387 V HA -0.036 4.084 4.120 -0.000 0.000 0.307 387 V C 0.297 176.303 176.094 -0.145 0.000 1.072 387 V CA 0.109 62.293 62.300 -0.193 0.000 1.148 387 V CB 0.857 32.360 31.823 -0.532 0.000 0.954 387 V HN 0.611 nan 8.190 nan 0.000 0.490 388 K N 3.297 123.578 120.400 -0.198 0.000 2.185 388 K HA 0.653 4.972 4.320 -0.000 0.000 0.269 388 K C 0.288 176.876 176.600 -0.020 0.000 0.987 388 K CA 0.357 56.603 56.287 -0.069 0.000 0.865 388 K CB 1.484 33.958 32.500 -0.044 0.000 1.090 388 K HN 1.099 nan 8.250 nan 0.000 0.450 392 I N 1.477 122.310 120.570 0.438 0.000 2.447 392 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 392 I C -0.726 175.514 176.117 0.205 0.000 1.023 392 I CA -0.958 60.534 61.300 0.319 0.000 1.083 392 I CB 2.137 40.215 38.000 0.131 0.000 1.245 392 I HN 0.221 nan 8.210 nan 0.000 0.434 393 L N 6.719 127.914 121.223 -0.047 0.000 2.325 393 L HA 0.458 4.798 4.340 -0.000 0.000 0.281 393 L C -0.105 176.790 176.870 0.042 0.000 1.004 393 L CA 0.230 54.932 54.840 -0.230 0.000 0.823 393 L CB 1.155 42.616 42.059 -0.997 0.000 1.236 393 L HN 0.549 nan 8.230 nan 0.000 0.415 394 E N 3.996 124.278 120.200 0.136 0.000 2.939 394 E HA 0.285 4.635 4.350 -0.000 0.000 0.215 394 E C -1.046 175.668 176.600 0.189 0.000 1.025 394 E CA -0.130 56.374 56.400 0.174 0.000 1.259 394 E CB 0.675 30.517 29.700 0.237 0.000 1.228 394 E HN 0.611 nan 8.360 nan 0.000 0.443 395 D N 0.422 120.935 120.400 0.189 0.000 2.671 395 D HA 0.224 4.864 4.640 -0.000 0.000 0.232 395 D C -1.433 174.992 176.300 0.208 0.000 1.114 395 D CA -0.558 53.595 54.000 0.256 0.000 0.858 395 D CB 2.458 43.469 40.800 0.352 0.000 1.544 395 D HN 0.045 nan 8.370 nan 0.000 0.471 396 Y N 2.284 122.674 120.300 0.150 0.000 2.429 396 Y HA 0.555 5.105 4.550 -0.000 0.000 0.342 396 Y C -1.133 174.862 175.900 0.159 0.000 1.004 396 Y CA -0.524 57.578 58.100 0.004 0.000 1.075 396 Y CB 0.859 39.365 38.460 0.076 0.000 1.214 396 Y HN 0.381 nan 8.280 nan 0.000 0.455 397 F N 0.000 119.577 119.950 -0.622 0.000 2.286 397 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 397 F CA 0.000 57.828 58.000 -0.286 0.000 1.383 397 F CB 0.000 39.083 39.000 0.139 0.000 1.145 397 F HN 0.000 nan 8.300 nan 0.000 0.574