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 2qi9_1_F DATA FIRST_RESID 22 DATA SEQUENCE AAPRVITLSP ANTELAFAAG ITPVGVSSYS DYPPQAQKIE QVSTWQGXNL DATA SEQUENCE ERIVALKPDL VIAWRGGNAE RQVDQLASLG IKVXWVDATS IEQIANALRQ DATA SEQUENCE LAPWSPQPDK AEQAAQSLLD QYAQLKAQYA DKPKKRVFLQ FGINPPFTSG DATA SEQUENCE KESIQNQVLE VcGGENIFKD SRVPWPQVSR EQVLARSPQA IVITGGPDQI DATA SEQUENCE PKIKQYWGEQ LKIPVIPLTS DWFERASPRI ILAAQQLcNA LSQVD 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.582 177.584 -0.003 0.000 1.274 22 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 22 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 23 A N 0.511 123.330 122.820 -0.001 0.000 2.386 23 A HA 0.653 4.973 4.320 -0.000 0.000 0.248 23 A C -2.237 175.364 177.584 0.028 0.000 1.082 23 A CA -0.843 51.198 52.037 0.007 0.000 0.789 23 A CB -0.988 18.012 19.000 0.000 0.000 1.025 23 A HN 0.561 nan 8.150 nan 0.000 0.490 24 P HA 0.138 nan 4.420 nan 0.000 0.265 24 P C -0.619 176.736 177.300 0.092 0.000 1.193 24 P CA 0.294 63.474 63.100 0.133 0.000 0.765 24 P CB 0.324 32.210 31.700 0.309 0.000 0.823 25 R N 1.907 122.448 120.500 0.068 0.000 2.242 25 R HA 0.342 4.682 4.340 -0.000 0.000 0.334 25 R C -0.570 175.720 176.300 -0.016 0.000 1.071 25 R CA -0.509 55.600 56.100 0.015 0.000 0.922 25 R CB 0.302 30.607 30.300 0.009 0.000 1.023 25 R HN 0.250 nan 8.270 nan 0.000 0.458 26 V N 5.347 125.228 119.914 -0.055 0.000 2.667 26 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 26 V C 0.188 176.216 176.094 -0.109 0.000 1.048 26 V CA -0.779 61.451 62.300 -0.117 0.000 0.928 26 V CB 2.131 33.865 31.823 -0.148 0.000 1.004 26 V HN 0.627 nan 8.190 nan 0.000 0.444 27 I N 3.111 123.606 120.570 -0.125 0.000 2.466 27 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 27 I C -0.010 176.049 176.117 -0.097 0.000 1.026 27 I CA -0.339 60.908 61.300 -0.088 0.000 1.078 27 I CB 2.469 40.426 38.000 -0.072 0.000 1.249 27 I HN 0.743 nan 8.210 nan 0.000 0.429 28 T N 4.232 118.753 114.554 -0.055 0.000 2.829 28 T HA 0.553 4.903 4.350 -0.000 0.000 0.282 28 T C 0.285 174.985 174.700 -0.001 0.000 0.990 28 T CA -0.697 61.377 62.100 -0.043 0.000 1.028 28 T CB 1.551 70.410 68.868 -0.014 0.000 0.951 28 T HN 0.449 nan 8.240 nan 0.000 0.460 29 L N 2.214 123.444 121.223 0.012 0.000 2.872 29 L HA 0.346 4.686 4.340 -0.000 0.000 0.245 29 L C 0.685 177.654 176.870 0.165 0.000 1.211 29 L CA -0.425 54.471 54.840 0.093 0.000 1.013 29 L CB -0.348 41.776 42.059 0.108 0.000 1.326 29 L HN 0.957 nan 8.230 nan 0.000 0.525 30 S N -3.651 112.071 115.700 0.037 0.000 2.547 30 S HA 0.444 4.914 4.470 -0.000 0.000 0.270 30 S C -2.617 171.942 174.600 -0.068 0.000 1.150 30 S CA -0.992 57.175 58.200 -0.056 0.000 0.850 30 S CB 2.042 64.872 63.200 -0.617 0.000 1.118 30 S HN -0.273 nan 8.310 nan 0.000 0.461 31 P HA -0.022 nan 4.420 nan 0.000 0.215 31 P C 1.572 178.862 177.300 -0.016 0.000 1.153 31 P CA 2.248 65.366 63.100 0.029 0.000 0.853 31 P CB -0.093 31.652 31.700 0.075 0.000 0.788 32 A N -0.719 122.021 122.820 -0.133 0.000 1.968 32 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 32 A C 2.050 179.577 177.584 -0.094 0.000 1.169 32 A CA 1.505 53.472 52.037 -0.117 0.000 0.638 32 A CB -1.235 17.641 19.000 -0.206 0.000 0.812 32 A HN 0.112 nan 8.150 nan 0.000 0.446 33 N N -0.322 118.286 118.700 -0.153 0.000 2.331 33 N HA -0.066 4.674 4.740 -0.000 0.000 0.180 33 N C 1.521 177.024 175.510 -0.012 0.000 1.019 33 N CA 1.600 54.591 53.050 -0.099 0.000 0.881 33 N CB -0.494 37.909 38.487 -0.140 0.000 0.972 33 N HN 0.441 nan 8.380 nan 0.000 0.435 34 T N 0.880 115.456 114.554 0.036 0.000 2.857 34 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 34 T C 1.641 176.497 174.700 0.260 0.000 1.048 34 T CA 0.863 63.051 62.100 0.147 0.000 1.139 34 T CB 0.057 69.022 68.868 0.161 0.000 0.874 34 T HN 0.323 nan 8.240 nan 0.000 0.455 35 E N 0.393 120.703 120.200 0.183 0.000 2.107 35 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 35 E C 2.082 178.790 176.600 0.181 0.000 0.982 35 E CA 0.569 57.101 56.400 0.221 0.000 0.809 35 E CB -0.147 29.671 29.700 0.196 0.000 0.756 35 E HN 0.206 nan 8.360 nan 0.000 0.459 36 L N 0.951 122.232 121.223 0.097 0.000 2.046 36 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 36 L C 2.185 179.089 176.870 0.057 0.000 1.077 36 L CA 1.792 56.665 54.840 0.056 0.000 0.747 36 L CB -0.555 41.507 42.059 0.006 0.000 0.896 36 L HN 0.022 nan 8.230 nan 0.000 0.432 37 A N -0.786 122.063 122.820 0.047 0.000 1.851 37 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 37 A C 2.162 179.721 177.584 -0.042 0.000 1.195 37 A CA 2.172 54.190 52.037 -0.032 0.000 0.622 37 A CB -1.275 17.668 19.000 -0.095 0.000 0.831 37 A HN 0.412 nan 8.150 nan 0.000 0.444 38 F N 0.176 120.121 119.950 -0.008 0.000 2.161 38 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 38 F C 2.763 178.562 175.800 -0.001 0.000 1.089 38 F CA 1.168 59.159 58.000 -0.016 0.000 1.282 38 F CB -0.344 38.629 39.000 -0.045 0.000 1.010 38 F HN 0.259 nan 8.300 nan 0.000 0.485 39 A N -0.452 122.486 122.820 0.197 0.000 2.070 39 A HA 0.042 4.362 4.320 -0.000 0.000 0.220 39 A C 2.163 179.792 177.584 0.076 0.000 1.159 39 A CA 1.469 53.581 52.037 0.125 0.000 0.656 39 A CB -0.957 18.108 19.000 0.107 0.000 0.800 39 A HN 0.288 nan 8.150 nan 0.000 0.453 40 A N -2.225 120.628 122.820 0.054 0.000 2.267 40 A HA 0.452 4.772 4.320 -0.000 0.000 0.213 40 A C 1.623 179.219 177.584 0.019 0.000 1.192 40 A CA 1.077 53.134 52.037 0.034 0.000 0.851 40 A CB -0.477 18.541 19.000 0.030 0.000 0.881 40 A HN 1.780 nan 8.150 nan 0.000 0.494 41 G N -0.770 108.035 108.800 0.008 0.000 2.134 41 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.209 41 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.209 41 G C -0.016 174.839 174.900 -0.076 0.000 0.993 41 G CA 0.134 45.227 45.100 -0.011 0.000 0.669 41 G HN 0.419 nan 8.290 nan 0.000 0.519 42 I N 1.101 121.581 120.570 -0.151 0.000 2.437 42 I HA 0.458 4.628 4.170 -0.000 0.000 0.298 42 I C 0.147 175.939 176.117 -0.543 0.000 0.984 42 I CA -0.577 60.582 61.300 -0.234 0.000 1.214 42 I CB 1.941 39.839 38.000 -0.169 0.000 1.365 42 I HN -0.012 nan 8.210 nan 0.000 0.469 43 T N 6.097 120.388 114.554 -0.439 0.000 3.042 43 T HA 0.311 4.661 4.350 -0.000 0.000 0.356 43 T C -2.333 172.162 174.700 -0.342 0.000 1.233 43 T CA -1.230 60.532 62.100 -0.563 0.000 1.038 43 T CB 0.580 69.298 68.868 -0.251 0.000 1.089 43 T HN 0.282 nan 8.240 nan 0.000 0.531 44 P HA -0.006 nan 4.420 nan 0.000 0.265 44 P C 1.080 178.341 177.300 -0.066 0.000 1.187 44 P CA -0.186 62.821 63.100 -0.155 0.000 0.766 44 P CB 0.556 32.203 31.700 -0.088 0.000 0.820 45 V N 0.231 120.118 119.914 -0.046 0.000 3.649 45 V HA 0.464 4.584 4.120 -0.000 0.000 0.275 45 V C 0.700 176.792 176.094 -0.003 0.000 1.281 45 V CA 0.739 63.028 62.300 -0.019 0.000 1.143 45 V CB -0.566 31.245 31.823 -0.020 0.000 0.892 45 V HN 0.615 nan 8.190 nan 0.000 0.441 46 G N -0.071 108.728 108.800 -0.002 0.000 2.752 46 G HA2 0.593 4.553 3.960 -0.000 0.000 0.298 46 G HA3 0.593 4.553 3.960 -0.000 0.000 0.298 46 G C -1.229 173.686 174.900 0.025 0.000 1.434 46 G CA 0.173 45.281 45.100 0.013 0.000 1.004 46 G HN 0.940 nan 8.290 nan 0.000 0.560 47 V N -0.821 119.123 119.914 0.049 0.000 3.119 47 V HA 0.981 5.101 4.120 -0.000 0.000 0.311 47 V C 0.439 176.579 176.094 0.076 0.000 1.259 47 V CA -0.163 62.177 62.300 0.068 0.000 1.067 47 V CB 1.249 33.132 31.823 0.100 0.000 1.123 47 V HN 1.457 nan 8.190 nan 0.000 0.463 48 S N 0.298 116.058 115.700 0.099 0.000 2.745 48 S HA 0.689 5.159 4.470 -0.000 0.000 0.292 48 S C 0.283 174.975 174.600 0.153 0.000 1.127 48 S CA 0.085 58.364 58.200 0.132 0.000 1.007 48 S CB 1.185 64.484 63.200 0.164 0.000 1.165 48 S HN 2.066 nan 8.310 nan 0.000 0.544 49 S N -0.589 115.237 115.700 0.210 0.000 2.593 49 S HA 0.355 4.825 4.470 -0.000 0.000 0.269 49 S C -0.337 174.486 174.600 0.373 0.000 1.334 49 S CA -0.275 58.074 58.200 0.248 0.000 1.015 49 S CB -0.791 62.616 63.200 0.345 0.000 0.912 49 S HN 1.103 nan 8.310 nan 0.000 0.541 50 Y N -0.719 119.618 120.300 0.061 0.000 4.798 50 Y HA -0.220 4.330 4.550 -0.000 0.000 0.237 50 Y C 0.936 176.868 175.900 0.054 0.000 1.017 50 Y CA 0.809 58.940 58.100 0.051 0.000 2.010 50 Y CB -2.467 36.023 38.460 0.049 0.000 1.582 50 Y HN 0.677 nan 8.280 nan 0.000 0.621 51 S N 1.624 117.417 115.700 0.155 0.000 4.120 51 S HA 0.085 4.554 4.470 -0.000 0.000 0.196 51 S C 0.843 175.483 174.600 0.066 0.000 1.447 51 S CA 0.132 58.402 58.200 0.117 0.000 0.939 51 S CB -0.191 63.075 63.200 0.110 0.000 1.496 51 S HN 0.442 nan 8.310 nan 0.000 0.460 52 D N 0.244 120.691 120.400 0.077 0.000 2.328 52 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 52 D C -0.011 176.335 176.300 0.076 0.000 1.072 52 D CA -0.080 53.946 54.000 0.044 0.000 0.850 52 D CB -0.042 40.781 40.800 0.038 0.000 0.922 52 D HN 0.500 nan 8.370 nan 0.000 0.516 53 Y N 0.900 121.160 120.300 -0.067 0.000 2.421 53 Y HA 0.384 4.934 4.550 -0.000 0.000 0.339 53 Y C -2.636 173.124 175.900 -0.232 0.000 0.996 53 Y CA -2.165 55.868 58.100 -0.113 0.000 1.046 53 Y CB 2.263 40.709 38.460 -0.022 0.000 1.226 53 Y HN -0.256 nan 8.280 nan 0.000 0.445 54 P HA 0.192 nan 4.420 nan 0.000 0.274 54 P C -2.467 174.416 177.300 -0.695 0.000 1.260 54 P CA -1.159 61.092 63.100 -1.416 0.000 0.793 54 P CB 0.815 31.782 31.700 -1.221 0.000 1.048 55 P HA -0.222 nan 4.420 nan 0.000 0.217 55 P C 1.798 178.966 177.300 -0.222 0.000 1.151 55 P CA 1.970 64.933 63.100 -0.229 0.000 0.849 55 P CB -0.311 31.299 31.700 -0.149 0.000 0.787 56 Q N -0.803 118.824 119.800 -0.288 0.000 2.364 56 Q HA -0.065 4.275 4.340 -0.000 0.000 0.207 56 Q C 1.851 177.759 176.000 -0.153 0.000 0.970 56 Q CA 1.770 57.467 55.803 -0.177 0.000 0.888 56 Q CB -1.146 27.529 28.738 -0.105 0.000 0.951 56 Q HN 0.166 nan 8.270 nan 0.000 0.469 57 A N 1.376 123.995 122.820 -0.335 0.000 2.067 57 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 57 A C 1.999 179.559 177.584 -0.039 0.000 1.158 57 A CA 1.002 52.942 52.037 -0.161 0.000 0.661 57 A CB -0.349 18.480 19.000 -0.286 0.000 0.801 57 A HN 0.459 nan 8.150 nan 0.000 0.452 58 Q N -0.305 119.454 119.800 -0.069 0.000 2.437 58 Q HA -0.128 4.212 4.340 -0.000 0.000 0.210 58 Q C 1.411 177.403 176.000 -0.013 0.000 0.972 58 Q CA 1.390 57.172 55.803 -0.034 0.000 0.903 58 Q CB -0.099 28.612 28.738 -0.045 0.000 0.967 58 Q HN 0.896 nan 8.270 nan 0.000 0.486 59 K N -0.449 119.950 120.400 -0.001 0.000 2.373 59 K HA 0.216 4.536 4.320 -0.000 0.000 0.202 59 K C 0.075 176.692 176.600 0.028 0.000 1.025 59 K CA -0.079 56.214 56.287 0.010 0.000 1.115 59 K CB 0.533 33.038 32.500 0.009 0.000 0.858 59 K HN 0.005 nan 8.250 nan 0.000 0.525 60 I N 2.782 123.378 120.570 0.045 0.000 2.396 60 I HA 0.082 4.252 4.170 -0.000 0.000 0.292 60 I C 0.307 176.449 176.117 0.043 0.000 0.999 60 I CA -0.901 60.432 61.300 0.056 0.000 1.310 60 I CB 1.368 39.425 38.000 0.095 0.000 1.404 60 I HN 0.280 nan 8.210 nan 0.000 0.496 61 E N 6.455 126.676 120.200 0.034 0.000 2.502 61 E HA -0.048 4.301 4.350 -0.000 0.000 0.261 61 E C -0.790 175.833 176.600 0.037 0.000 0.974 61 E CA 0.016 56.434 56.400 0.030 0.000 0.936 61 E CB 0.641 30.355 29.700 0.023 0.000 0.926 61 E HN 0.494 nan 8.360 nan 0.000 0.459 62 Q N 2.502 122.325 119.800 0.039 0.000 2.257 62 Q HA 0.267 4.607 4.340 -0.000 0.000 0.255 62 Q C 0.182 176.210 176.000 0.047 0.000 0.920 62 Q CA -0.455 55.379 55.803 0.051 0.000 0.927 62 Q CB 1.913 30.686 28.738 0.059 0.000 1.229 62 Q HN 0.608 nan 8.270 nan 0.000 0.433 63 V N -1.599 118.345 119.914 0.050 0.000 3.253 63 V HA 0.363 4.483 4.120 -0.000 0.000 0.320 63 V C -0.237 175.888 176.094 0.053 0.000 1.442 63 V CA -0.026 62.299 62.300 0.041 0.000 1.097 63 V CB 0.054 31.892 31.823 0.025 0.000 1.008 63 V HN 0.654 nan 8.190 nan 0.000 0.463 64 S N -0.239 115.508 115.700 0.078 0.000 2.611 64 S HA 0.862 5.331 4.470 -0.000 0.000 0.268 64 S C -0.432 174.256 174.600 0.147 0.000 1.156 64 S CA 0.115 58.375 58.200 0.100 0.000 0.817 64 S CB 2.002 65.261 63.200 0.099 0.000 1.122 64 S HN 1.266 nan 8.310 nan 0.000 0.466 65 T N -2.745 111.909 114.554 0.168 0.000 2.731 65 T HA 0.502 4.852 4.350 -0.000 0.000 0.300 65 T C -0.327 174.534 174.700 0.269 0.000 1.283 65 T CA -0.717 61.525 62.100 0.236 0.000 1.005 65 T CB 0.359 69.352 68.868 0.209 0.000 1.420 65 T HN 0.682 nan 8.240 nan 0.000 0.503 66 W N 1.537 122.895 121.300 0.096 0.000 2.350 66 W HA -0.062 4.598 4.660 -0.000 0.000 0.289 66 W C 2.797 179.327 176.519 0.020 0.000 1.215 66 W CA 1.932 59.314 57.345 0.062 0.000 1.236 66 W CB -0.188 29.286 29.460 0.025 0.000 1.130 66 W HN 0.919 nan 8.180 nan 0.000 0.541 67 Q N -0.899 119.000 119.800 0.165 0.000 2.049 67 Q HA 0.197 4.537 4.340 -0.000 0.000 0.198 67 Q C 1.035 177.023 176.000 -0.020 0.000 0.971 67 Q CA 1.484 57.316 55.803 0.048 0.000 0.833 67 Q CB -0.397 28.394 28.738 0.088 0.000 0.896 67 Q HN 0.096 nan 8.270 nan 0.000 0.434 71 L N 2.287 123.513 121.223 0.005 0.000 2.081 71 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 71 L C 1.990 178.860 176.870 0.000 0.000 1.080 71 L CA 1.956 56.797 54.840 0.000 0.000 0.754 71 L CB 0.087 42.146 42.059 0.000 0.000 0.893 71 L HN 0.435 nan 8.230 nan 0.000 0.433 72 E N -0.562 119.640 120.200 0.003 0.000 2.077 72 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 72 E C 2.333 178.935 176.600 0.003 0.000 0.989 72 E CA 1.154 57.556 56.400 0.003 0.000 0.800 72 E CB -0.263 29.440 29.700 0.005 0.000 0.746 72 E HN 0.345 nan 8.360 nan 0.000 0.452 73 R N 0.964 121.467 120.500 0.005 0.000 2.093 73 R HA 0.078 4.418 4.340 -0.000 0.000 0.224 73 R C 2.301 178.602 176.300 0.001 0.000 1.101 73 R CA 0.569 56.672 56.100 0.005 0.000 0.979 73 R CB -0.502 29.804 30.300 0.010 0.000 0.877 73 R HN 0.137 nan 8.270 nan 0.000 0.441 74 I N -0.220 120.349 120.570 -0.002 0.000 2.226 74 I HA -0.263 3.906 4.170 -0.000 0.000 0.245 74 I C 1.842 177.951 176.117 -0.013 0.000 1.100 74 I CA 1.181 62.474 61.300 -0.011 0.000 1.374 74 I CB -0.207 37.783 38.000 -0.017 0.000 1.057 74 I HN -0.029 nan 8.210 nan 0.000 0.413 75 V N 0.970 120.878 119.914 -0.009 0.000 2.427 75 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 75 V C 2.655 178.747 176.094 -0.004 0.000 1.051 75 V CA 1.780 64.076 62.300 -0.008 0.000 1.048 75 V CB -0.919 30.901 31.823 -0.004 0.000 0.666 75 V HN 0.480 nan 8.190 nan 0.000 0.456 76 A N -0.416 122.403 122.820 -0.002 0.000 2.067 76 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 76 A C 2.037 179.621 177.584 -0.000 0.000 1.158 76 A CA 1.220 53.257 52.037 0.000 0.000 0.661 76 A CB -0.465 18.536 19.000 0.002 0.000 0.801 76 A HN 0.533 nan 8.150 nan 0.000 0.452 77 L N -0.993 120.228 121.223 -0.003 0.000 2.599 77 L HA 0.037 4.377 4.340 -0.000 0.000 0.230 77 L C 0.054 176.921 176.870 -0.005 0.000 1.141 77 L CA 0.001 54.839 54.840 -0.004 0.000 0.877 77 L CB -0.312 41.742 42.059 -0.007 0.000 1.009 77 L HN 0.316 nan 8.230 nan 0.000 0.447 78 K N 0.278 120.676 120.400 -0.004 0.000 3.540 78 K HA -0.173 4.147 4.320 -0.000 0.000 0.274 78 K C -2.229 174.370 176.600 -0.002 0.000 0.890 78 K CA -0.210 56.077 56.287 -0.001 0.000 0.701 78 K CB -1.340 31.163 32.500 0.004 0.000 1.523 78 K HN 0.269 nan 8.250 nan 0.000 0.450 79 P HA 0.034 nan 4.420 nan 0.000 0.275 79 P C -0.230 177.064 177.300 -0.010 0.000 1.228 79 P CA -0.086 62.998 63.100 -0.026 0.000 0.786 79 P CB 0.837 32.502 31.700 -0.058 0.000 0.927 80 D N 0.849 121.260 120.400 0.019 0.000 2.327 80 D HA 0.109 4.749 4.640 -0.000 0.000 0.205 80 D C 0.431 176.728 176.300 -0.004 0.000 0.989 80 D CA 0.886 54.949 54.000 0.104 0.000 0.873 80 D CB 0.406 41.360 40.800 0.258 0.000 0.955 80 D HN 0.200 nan 8.370 nan 0.000 0.515 81 L N 0.143 121.242 121.223 -0.207 0.000 2.506 81 L HA 0.372 4.712 4.340 -0.000 0.000 0.257 81 L C -1.849 174.807 176.870 -0.357 0.000 0.964 81 L CA -0.698 53.846 54.840 -0.492 0.000 0.836 81 L CB 2.606 43.975 42.059 -1.150 0.000 1.384 81 L HN -0.356 nan 8.230 nan 0.000 0.410 82 V N 5.557 125.254 119.914 -0.361 0.000 2.482 82 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 82 V C -0.209 175.672 176.094 -0.356 0.000 1.026 82 V CA -0.337 61.786 62.300 -0.295 0.000 0.856 82 V CB 1.645 33.322 31.823 -0.244 0.000 1.001 82 V HN 0.590 nan 8.190 nan 0.000 0.424 83 I N 5.039 125.435 120.570 -0.290 0.000 2.281 83 I HA 0.585 4.755 4.170 -0.000 0.000 0.293 83 I C 0.744 176.745 176.117 -0.194 0.000 1.085 83 I CA 0.198 61.340 61.300 -0.263 0.000 1.257 83 I CB 0.813 38.694 38.000 -0.199 0.000 1.430 83 I HN 0.688 nan 8.210 nan 0.000 0.489 84 A N 7.904 130.556 122.820 -0.282 0.000 2.352 84 A HA 0.908 5.228 4.320 -0.000 0.000 0.299 84 A C -1.305 176.405 177.584 0.210 0.000 1.160 84 A CA -0.387 51.583 52.037 -0.111 0.000 0.933 84 A CB 1.334 20.064 19.000 -0.451 0.000 1.387 84 A HN 0.778 nan 8.150 nan 0.000 0.487 85 W N -0.537 120.819 121.300 0.092 0.000 3.624 85 W HA 0.440 5.100 4.660 -0.000 0.000 0.312 85 W C -0.232 176.422 176.519 0.225 0.000 1.203 85 W CA -0.961 56.507 57.345 0.204 0.000 1.225 85 W CB 0.492 30.012 29.460 0.100 0.000 1.321 85 W HN 0.828 nan 8.180 nan 0.000 0.506 86 R N 1.564 122.160 120.500 0.159 0.000 2.096 86 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 86 R C 2.291 178.278 176.300 -0.522 0.000 1.127 86 R CA 1.898 57.897 56.100 -0.167 0.000 0.968 86 R CB -0.609 29.582 30.300 -0.182 0.000 0.861 86 R HN 0.776 nan 8.270 nan 0.000 0.440 87 G N 0.091 108.491 108.800 -0.667 0.000 2.485 87 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.221 87 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.221 87 G C 1.069 175.059 174.900 -1.517 0.000 1.115 87 G CA 1.117 45.624 45.100 -0.988 0.000 0.751 87 G HN 0.508 nan 8.290 nan 0.000 0.567 88 G N -1.135 106.370 108.800 -2.158 0.000 3.738 88 G HA2 0.219 4.178 3.960 -0.000 0.000 0.241 88 G HA3 0.219 4.178 3.960 -0.000 0.000 0.241 88 G C -0.063 174.346 174.900 -0.818 0.000 1.068 88 G CA -0.487 43.735 45.100 -1.464 0.000 0.899 88 G HN 0.369 nan 8.290 nan 0.000 0.519 89 N N 0.747 119.036 118.700 -0.685 0.000 2.372 89 N HA 0.549 5.289 4.740 -0.000 0.000 0.291 89 N C -0.116 175.277 175.510 -0.195 0.000 1.024 89 N CA -0.628 52.276 53.050 -0.243 0.000 0.873 89 N CB 2.095 40.579 38.487 -0.005 0.000 1.206 89 N HN 0.136 nan 8.380 nan 0.000 0.486 90 A N 1.918 124.655 122.820 -0.138 0.000 2.484 90 A HA 0.021 4.341 4.320 -0.000 0.000 0.268 90 A C 1.294 178.862 177.584 -0.027 0.000 1.114 90 A CA -0.031 51.937 52.037 -0.115 0.000 0.780 90 A CB 0.104 19.047 19.000 -0.094 0.000 1.061 90 A HN 0.773 nan 8.150 nan 0.000 0.505 91 E N 2.145 122.306 120.200 -0.065 0.000 2.048 91 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 91 E C 1.955 178.570 176.600 0.025 0.000 1.021 91 E CA 1.739 58.115 56.400 -0.041 0.000 0.825 91 E CB -0.103 29.505 29.700 -0.153 0.000 0.756 91 E HN 0.780 nan 8.360 nan 0.000 0.454 92 R N 0.529 121.018 120.500 -0.018 0.000 2.103 92 R HA -0.196 4.144 4.340 -0.000 0.000 0.242 92 R C 2.506 178.822 176.300 0.026 0.000 1.142 92 R CA 1.581 57.679 56.100 -0.002 0.000 0.960 92 R CB -0.195 30.091 30.300 -0.024 0.000 0.858 92 R HN 0.295 nan 8.270 nan 0.000 0.439 93 Q N -0.398 119.414 119.800 0.021 0.000 2.061 93 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 93 Q C 2.040 178.066 176.000 0.043 0.000 0.984 93 Q CA 1.850 57.666 55.803 0.022 0.000 0.846 93 Q CB 0.091 28.832 28.738 0.006 0.000 0.902 93 Q HN 0.217 nan 8.270 nan 0.000 0.421 94 V N 0.857 120.828 119.914 0.095 0.000 2.591 94 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 94 V C 1.442 177.615 176.094 0.130 0.000 1.053 94 V CA 1.451 63.804 62.300 0.090 0.000 1.068 94 V CB -0.376 31.516 31.823 0.115 0.000 0.689 94 V HN 0.284 nan 8.190 nan 0.000 0.462 95 D N 0.023 120.526 120.400 0.173 0.000 2.178 95 D HA -0.208 4.432 4.640 -0.000 0.000 0.201 95 D C 2.188 178.531 176.300 0.071 0.000 0.980 95 D CA 1.321 55.403 54.000 0.137 0.000 0.842 95 D CB -0.128 40.725 40.800 0.090 0.000 0.948 95 D HN 0.567 nan 8.370 nan 0.000 0.472 96 Q N 0.097 119.925 119.800 0.047 0.000 2.291 96 Q HA -0.087 4.253 4.340 -0.000 0.000 0.205 96 Q C 2.069 178.081 176.000 0.020 0.000 0.970 96 Q CA 0.566 56.385 55.803 0.026 0.000 0.876 96 Q CB 0.049 28.797 28.738 0.015 0.000 0.935 96 Q HN 0.293 nan 8.270 nan 0.000 0.455 97 L N -0.177 121.058 121.223 0.020 0.000 2.049 97 L HA -0.027 4.313 4.340 -0.000 0.000 0.203 97 L C 2.542 179.416 176.870 0.007 0.000 1.074 97 L CA 0.865 55.705 54.840 -0.000 0.000 0.749 97 L CB -0.561 41.480 42.059 -0.030 0.000 0.907 97 L HN 0.261 nan 8.230 nan 0.000 0.439 98 A N -0.979 121.858 122.820 0.028 0.000 2.024 98 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 98 A C 2.508 180.114 177.584 0.036 0.000 1.164 98 A CA 2.060 54.121 52.037 0.040 0.000 0.643 98 A CB -0.617 18.435 19.000 0.087 0.000 0.806 98 A HN 0.391 nan 8.150 nan 0.000 0.451 99 S N -0.608 115.111 115.700 0.032 0.000 2.387 99 S HA -0.015 4.455 4.470 -0.000 0.000 0.226 99 S C 1.756 176.367 174.600 0.018 0.000 1.026 99 S CA 1.105 59.319 58.200 0.024 0.000 0.972 99 S CB -0.405 62.807 63.200 0.020 0.000 0.814 99 S HN 0.531 nan 8.310 nan 0.000 0.477 100 L N 0.388 121.620 121.223 0.014 0.000 2.465 100 L HA 0.157 4.497 4.340 -0.000 0.000 0.224 100 L C 1.902 178.779 176.870 0.012 0.000 1.145 100 L CA 0.733 55.579 54.840 0.010 0.000 0.834 100 L CB -0.438 41.624 42.059 0.005 0.000 0.944 100 L HN 0.624 nan 8.230 nan 0.000 0.451 101 G N 0.001 108.810 108.800 0.015 0.000 2.184 101 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.206 101 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.206 101 G C 0.257 175.168 174.900 0.019 0.000 0.995 101 G CA -0.455 44.657 45.100 0.020 0.000 0.651 101 G HN 0.207 nan 8.290 nan 0.000 0.511 102 I N 1.690 122.262 120.570 0.004 0.000 2.471 102 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 102 I C 0.941 177.041 176.117 -0.029 0.000 1.079 102 I CA -0.307 60.985 61.300 -0.013 0.000 1.398 102 I CB 1.145 39.123 38.000 -0.036 0.000 1.403 102 I HN 0.102 nan 8.210 nan 0.000 0.530 103 K N 5.509 125.891 120.400 -0.029 0.000 2.326 103 K HA 0.460 4.780 4.320 -0.000 0.000 0.275 103 K C -0.883 175.608 176.600 -0.181 0.000 1.018 103 K CA -0.271 55.985 56.287 -0.052 0.000 0.962 103 K CB 0.901 33.414 32.500 0.021 0.000 0.953 103 K HN 0.447 nan 8.250 nan 0.000 0.475 107 V N 2.759 122.874 119.914 0.334 0.000 2.509 107 V HA 0.335 4.455 4.120 -0.000 0.000 0.289 107 V C -1.066 175.192 176.094 0.275 0.000 1.026 107 V CA -0.736 61.701 62.300 0.227 0.000 0.872 107 V CB 1.678 33.577 31.823 0.126 0.000 1.017 107 V HN 0.537 nan 8.190 nan 0.000 0.436 108 D N 4.043 124.561 120.400 0.196 0.000 2.749 108 D HA 0.365 5.004 4.640 -0.000 0.000 0.338 108 D C 0.514 176.877 176.300 0.106 0.000 1.236 108 D CA -0.057 54.047 54.000 0.173 0.000 0.845 108 D CB 1.786 42.648 40.800 0.103 0.000 1.080 108 D HN 0.648 nan 8.370 nan 0.000 0.497 109 A N 0.253 123.131 122.820 0.097 0.000 2.522 109 A HA 0.283 4.603 4.320 -0.000 0.000 0.256 109 A C 1.138 178.748 177.584 0.044 0.000 1.086 109 A CA 0.392 52.461 52.037 0.053 0.000 0.763 109 A CB 0.235 19.254 19.000 0.032 0.000 1.024 109 A HN 0.158 nan 8.150 nan 0.000 0.502 110 T N 1.246 115.817 114.554 0.029 0.000 3.085 110 T HA 0.328 4.677 4.350 -0.000 0.000 0.264 110 T C 0.313 175.025 174.700 0.019 0.000 1.019 110 T CA 0.604 62.719 62.100 0.025 0.000 0.910 110 T CB -0.482 68.397 68.868 0.018 0.000 1.059 110 T HN 1.095 nan 8.240 nan 0.000 0.542 111 S N -0.743 114.959 115.700 0.003 0.000 2.611 111 S HA 0.535 5.005 4.470 -0.000 0.000 0.268 111 S C 0.431 174.991 174.600 -0.067 0.000 1.156 111 S CA -0.863 57.323 58.200 -0.023 0.000 0.817 111 S CB 0.508 63.701 63.200 -0.012 0.000 1.122 111 S HN 0.012 nan 8.310 nan 0.000 0.466 112 I N 1.211 121.690 120.570 -0.153 0.000 2.617 112 I HA -0.034 4.136 4.170 -0.000 0.000 0.256 112 I C 2.287 178.304 176.117 -0.168 0.000 1.167 112 I CA 0.898 62.062 61.300 -0.228 0.000 1.469 112 I CB -0.265 37.417 38.000 -0.529 0.000 1.098 112 I HN 0.751 nan 8.210 nan 0.000 0.436 113 E N 0.534 120.660 120.200 -0.123 0.000 2.268 113 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 113 E C 1.702 178.287 176.600 -0.024 0.000 0.995 113 E CA 0.773 57.142 56.400 -0.053 0.000 0.836 113 E CB -0.069 29.623 29.700 -0.013 0.000 0.763 113 E HN 0.597 nan 8.360 nan 0.000 0.491 114 Q N -0.097 119.688 119.800 -0.024 0.000 2.403 114 Q HA 0.083 4.423 4.340 -0.000 0.000 0.203 114 Q C 1.771 177.770 176.000 -0.001 0.000 0.932 114 Q CA 0.172 55.974 55.803 -0.001 0.000 0.945 114 Q CB 0.409 29.153 28.738 0.009 0.000 1.045 114 Q HN 0.347 nan 8.270 nan 0.000 0.511 115 I N -0.416 120.142 120.570 -0.021 0.000 2.512 115 I HA -0.065 4.105 4.170 -0.000 0.000 0.247 115 I C 2.296 178.410 176.117 -0.005 0.000 1.094 115 I CA 0.607 61.897 61.300 -0.017 0.000 1.427 115 I CB -0.359 37.620 38.000 -0.036 0.000 1.149 115 I HN 0.092 nan 8.210 nan 0.000 0.438 116 A N 1.450 124.264 122.820 -0.010 0.000 1.892 116 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 116 A C 2.027 179.622 177.584 0.017 0.000 1.188 116 A CA 2.660 54.700 52.037 0.006 0.000 0.631 116 A CB -1.154 17.850 19.000 0.006 0.000 0.822 116 A HN 0.522 nan 8.150 nan 0.000 0.447 117 N N 0.148 118.858 118.700 0.018 0.000 2.094 117 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 117 N C 1.708 177.239 175.510 0.035 0.000 1.023 117 N CA 2.271 55.338 53.050 0.028 0.000 0.857 117 N CB -0.379 38.125 38.487 0.028 0.000 1.013 117 N HN 0.407 nan 8.380 nan 0.000 0.426 118 A N 0.384 123.221 122.820 0.029 0.000 1.877 118 A HA -0.084 4.235 4.320 -0.000 0.000 0.216 118 A C 2.350 179.954 177.584 0.033 0.000 1.186 118 A CA 1.262 53.318 52.037 0.030 0.000 0.620 118 A CB -0.912 18.099 19.000 0.019 0.000 0.822 118 A HN 0.383 nan 8.150 nan 0.000 0.443 119 L N -1.208 120.033 121.223 0.029 0.000 2.042 119 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 119 L C 2.868 179.766 176.870 0.048 0.000 1.076 119 L CA 1.594 56.455 54.840 0.035 0.000 0.749 119 L CB -0.403 41.674 42.059 0.030 0.000 0.893 119 L HN 0.344 nan 8.230 nan 0.000 0.432 120 R N -0.720 119.807 120.500 0.046 0.000 2.115 120 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 120 R C 2.220 178.562 176.300 0.070 0.000 1.111 120 R CA 0.792 56.922 56.100 0.050 0.000 0.976 120 R CB -0.111 30.213 30.300 0.040 0.000 0.870 120 R HN 0.358 nan 8.270 nan 0.000 0.445 121 Q N 0.244 120.092 119.800 0.081 0.000 2.436 121 Q HA -0.036 4.303 4.340 -0.000 0.000 0.209 121 Q C 1.717 177.838 176.000 0.201 0.000 0.965 121 Q CA 0.905 56.780 55.803 0.121 0.000 0.910 121 Q CB 0.283 29.081 28.738 0.101 0.000 0.980 121 Q HN 0.419 nan 8.270 nan 0.000 0.491 122 L N -0.633 120.686 121.223 0.160 0.000 2.554 122 L HA 0.136 4.476 4.340 -0.000 0.000 0.225 122 L C 2.134 179.129 176.870 0.210 0.000 1.104 122 L CA 0.213 55.182 54.840 0.215 0.000 0.866 122 L CB -0.275 41.836 42.059 0.088 0.000 1.047 122 L HN 0.029 nan 8.230 nan 0.000 0.468 123 A N 1.555 124.450 122.820 0.126 0.000 1.873 123 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 123 A C -0.200 177.410 177.584 0.043 0.000 1.193 123 A CA 1.730 53.809 52.037 0.070 0.000 0.629 123 A CB -1.761 17.263 19.000 0.040 0.000 0.826 123 A HN 0.240 nan 8.150 nan 0.000 0.447 124 P HA -0.134 nan 4.420 nan 0.000 0.223 124 P C 0.353 177.474 177.300 -0.298 0.000 1.144 124 P CA 1.099 64.094 63.100 -0.176 0.000 0.783 124 P CB -0.113 31.432 31.700 -0.257 0.000 0.771 125 W N -1.596 119.687 121.300 -0.028 0.000 3.220 125 W HA 0.299 4.959 4.660 -0.000 0.000 0.328 125 W C 0.863 177.354 176.519 -0.047 0.000 1.205 125 W CA 0.008 57.331 57.345 -0.038 0.000 1.773 125 W CB 0.096 29.530 29.460 -0.044 0.000 1.086 125 W HN -0.213 nan 8.180 nan 0.000 0.622 126 S N 1.570 117.342 115.700 0.121 0.000 2.549 126 S HA 0.301 4.771 4.470 -0.000 0.000 0.297 126 S C -1.223 173.385 174.600 0.014 0.000 1.115 126 S CA -1.718 56.515 58.200 0.055 0.000 1.059 126 S CB 1.489 64.715 63.200 0.042 0.000 1.046 126 S HN -0.148 nan 8.310 nan 0.000 0.506 127 P HA 0.055 nan 4.420 nan 0.000 0.245 127 P C -0.495 176.801 177.300 -0.006 0.000 1.212 127 P CA 0.494 63.589 63.100 -0.008 0.000 0.774 127 P CB 0.030 31.723 31.700 -0.011 0.000 0.999 128 Q N -0.367 119.432 119.800 -0.001 0.000 2.928 128 Q HA 0.236 4.575 4.340 -0.000 0.000 0.353 128 Q C -2.159 173.846 176.000 0.008 0.000 0.870 128 Q CA -1.761 54.044 55.803 0.003 0.000 0.963 128 Q CB 1.176 29.918 28.738 0.007 0.000 1.419 128 Q HN 0.084 nan 8.270 nan 0.000 0.396 129 P HA -0.234 nan 4.420 nan 0.000 0.218 129 P C 0.288 177.595 177.300 0.012 0.000 1.154 129 P CA 1.561 64.665 63.100 0.007 0.000 0.872 129 P CB 0.336 32.033 31.700 -0.005 0.000 0.790 130 D N -1.146 119.260 120.400 0.009 0.000 2.144 130 D HA -0.148 4.491 4.640 -0.000 0.000 0.199 130 D C 1.871 178.181 176.300 0.017 0.000 0.984 130 D CA 0.990 54.998 54.000 0.012 0.000 0.834 130 D CB -0.426 40.380 40.800 0.009 0.000 0.955 130 D HN 0.191 nan 8.370 nan 0.000 0.465 131 K N 0.514 120.925 120.400 0.019 0.000 2.032 131 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 131 K C 1.999 178.616 176.600 0.029 0.000 1.048 131 K CA 1.367 57.669 56.287 0.024 0.000 0.927 131 K CB -0.089 32.426 32.500 0.026 0.000 0.712 131 K HN 0.108 nan 8.250 nan 0.000 0.441 132 A N 1.144 123.981 122.820 0.029 0.000 1.873 132 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 132 A C 1.862 179.465 177.584 0.031 0.000 1.186 132 A CA 1.721 53.779 52.037 0.034 0.000 0.616 132 A CB -0.482 18.542 19.000 0.040 0.000 0.823 132 A HN 0.466 nan 8.150 nan 0.000 0.442 133 E N -0.432 119.784 120.200 0.027 0.000 2.106 133 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 133 E C 2.266 178.880 176.600 0.024 0.000 0.984 133 E CA 1.295 57.710 56.400 0.025 0.000 0.806 133 E CB -0.143 29.570 29.700 0.020 0.000 0.750 133 E HN 0.720 nan 8.360 nan 0.000 0.458 134 Q N -0.165 119.648 119.800 0.023 0.000 2.172 134 Q HA -0.026 4.314 4.340 -0.000 0.000 0.200 134 Q C 2.134 178.149 176.000 0.025 0.000 0.964 134 Q CA 0.971 56.788 55.803 0.022 0.000 0.855 134 Q CB 0.050 28.801 28.738 0.021 0.000 0.918 134 Q HN 0.207 nan 8.270 nan 0.000 0.444 135 A N 0.982 123.818 122.820 0.027 0.000 1.968 135 A HA 0.001 4.320 4.320 -0.000 0.000 0.217 135 A C 2.233 179.832 177.584 0.025 0.000 1.169 135 A CA 1.306 53.360 52.037 0.028 0.000 0.638 135 A CB -0.467 18.553 19.000 0.034 0.000 0.812 135 A HN 0.358 nan 8.150 nan 0.000 0.446 136 A N -0.910 121.926 122.820 0.026 0.000 1.873 136 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 136 A C 2.150 179.750 177.584 0.027 0.000 1.186 136 A CA 1.954 54.006 52.037 0.024 0.000 0.616 136 A CB -0.472 18.544 19.000 0.026 0.000 0.823 136 A HN 0.471 nan 8.150 nan 0.000 0.442 137 Q N 0.027 119.844 119.800 0.029 0.000 2.167 137 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 137 Q C 2.233 178.255 176.000 0.036 0.000 0.970 137 Q CA 1.873 57.695 55.803 0.032 0.000 0.855 137 Q CB -0.500 28.255 28.738 0.028 0.000 0.911 137 Q HN 0.577 nan 8.270 nan 0.000 0.438 138 S N -0.798 114.921 115.700 0.031 0.000 2.356 138 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 138 S C 1.740 176.363 174.600 0.039 0.000 1.032 138 S CA 1.208 59.426 58.200 0.031 0.000 1.005 138 S CB -0.424 62.790 63.200 0.024 0.000 0.867 138 S HN 0.456 nan 8.310 nan 0.000 0.449 139 L N 1.729 122.973 121.223 0.035 0.000 2.017 139 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 139 L C 2.189 179.107 176.870 0.080 0.000 1.073 139 L CA 1.759 56.622 54.840 0.039 0.000 0.745 139 L CB -0.797 41.269 42.059 0.010 0.000 0.894 139 L HN 0.408 nan 8.230 nan 0.000 0.432 140 L N -0.691 120.577 121.223 0.075 0.000 2.046 140 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 140 L C 2.278 179.230 176.870 0.137 0.000 1.077 140 L CA 1.393 56.303 54.840 0.116 0.000 0.747 140 L CB -0.864 41.244 42.059 0.080 0.000 0.896 140 L HN 0.327 nan 8.230 nan 0.000 0.432 141 D N -0.507 119.946 120.400 0.089 0.000 2.103 141 D HA -0.215 4.425 4.640 -0.000 0.000 0.199 141 D C 2.120 178.464 176.300 0.072 0.000 0.978 141 D CA 1.060 55.101 54.000 0.069 0.000 0.829 141 D CB -0.111 40.717 40.800 0.046 0.000 0.981 141 D HN 0.350 nan 8.370 nan 0.000 0.464 142 Q N -0.606 119.241 119.800 0.079 0.000 2.170 142 Q HA -0.214 4.126 4.340 -0.000 0.000 0.203 142 Q C 2.067 178.132 176.000 0.108 0.000 0.976 142 Q CA 1.049 56.896 55.803 0.074 0.000 0.858 142 Q CB -0.095 28.678 28.738 0.059 0.000 0.907 142 Q HN 0.300 nan 8.270 nan 0.000 0.433 143 Y N 0.063 120.371 120.300 0.014 0.000 2.220 143 Y HA -0.076 4.473 4.550 -0.000 0.000 0.291 143 Y C 2.018 177.936 175.900 0.031 0.000 1.129 143 Y CA 1.301 59.412 58.100 0.018 0.000 1.161 143 Y CB -0.592 37.879 38.460 0.018 0.000 0.997 143 Y HN 0.192 nan 8.280 nan 0.000 0.522 144 A N 0.206 123.008 122.820 -0.029 0.000 1.908 144 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 144 A C 2.289 179.813 177.584 -0.099 0.000 1.181 144 A CA 1.967 53.943 52.037 -0.102 0.000 0.627 144 A CB -0.920 18.082 19.000 0.004 0.000 0.818 144 A HN 0.657 nan 8.150 nan 0.000 0.445 145 Q N -1.161 118.616 119.800 -0.037 0.000 2.046 145 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 145 Q C 1.979 177.980 176.000 0.002 0.000 0.975 145 Q CA 1.464 57.260 55.803 -0.011 0.000 0.836 145 Q CB -0.193 28.554 28.738 0.015 0.000 0.896 145 Q HN 0.493 nan 8.270 nan 0.000 0.428 146 L N 1.372 122.591 121.223 -0.007 0.000 2.131 146 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 146 L C 2.320 179.206 176.870 0.025 0.000 1.092 146 L CA 1.808 56.676 54.840 0.047 0.000 0.759 146 L CB -0.445 41.606 42.059 -0.013 0.000 0.903 146 L HN 0.147 nan 8.230 nan 0.000 0.435 147 K N -0.943 119.344 120.400 -0.189 0.000 2.057 147 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 147 K C 1.971 178.539 176.600 -0.054 0.000 1.050 147 K CA 1.224 57.387 56.287 -0.207 0.000 0.935 147 K CB -0.140 32.111 32.500 -0.414 0.000 0.715 147 K HN 0.331 nan 8.250 nan 0.000 0.439 148 A N 1.125 123.914 122.820 -0.052 0.000 1.930 148 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 148 A C 1.965 179.532 177.584 -0.028 0.000 1.175 148 A CA 1.262 53.280 52.037 -0.032 0.000 0.627 148 A CB -0.391 18.588 19.000 -0.034 0.000 0.815 148 A HN 0.483 nan 8.150 nan 0.000 0.443 149 Q N -1.853 117.944 119.800 -0.006 0.000 2.119 149 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 149 Q C 1.001 176.817 176.000 -0.307 0.000 0.972 149 Q CA 1.518 57.240 55.803 -0.135 0.000 0.847 149 Q CB -0.181 28.492 28.738 -0.108 0.000 0.903 149 Q HN 0.861 nan 8.270 nan 0.000 0.433 150 Y N -1.279 118.993 120.300 -0.047 0.000 2.458 150 Y HA 0.336 4.886 4.550 -0.000 0.000 0.256 150 Y C 1.708 177.588 175.900 -0.034 0.000 1.159 150 Y CA 0.092 58.171 58.100 -0.036 0.000 1.261 150 Y CB 0.231 38.672 38.460 -0.031 0.000 1.119 150 Y HN 0.074 nan 8.280 nan 0.000 0.524 151 A N -0.373 122.482 122.820 0.059 0.000 1.975 151 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 151 A C 1.519 179.104 177.584 0.001 0.000 1.170 151 A CA 1.329 53.381 52.037 0.026 0.000 0.656 151 A CB -0.152 18.848 19.000 0.001 0.000 0.821 151 A HN 0.186 nan 8.150 nan 0.000 0.449 152 D N 0.200 120.583 120.400 -0.028 0.000 2.340 152 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 152 D C 0.037 176.306 176.300 -0.053 0.000 1.039 152 D CA 0.520 54.495 54.000 -0.042 0.000 0.866 152 D CB 0.144 40.909 40.800 -0.058 0.000 0.913 152 D HN 0.351 nan 8.370 nan 0.000 0.523 153 K N 2.040 122.409 120.400 -0.051 0.000 2.264 153 K HA 0.278 4.598 4.320 -0.000 0.000 0.277 153 K C -2.545 174.059 176.600 0.006 0.000 1.067 153 K CA -1.747 54.512 56.287 -0.047 0.000 0.900 153 K CB 1.402 33.854 32.500 -0.079 0.000 1.124 153 K HN -0.165 nan 8.250 nan 0.000 0.469 154 P HA -0.140 nan 4.420 nan 0.000 0.261 154 P C -0.687 176.627 177.300 0.024 0.000 1.158 154 P CA 0.570 63.675 63.100 0.008 0.000 0.758 154 P CB 0.336 32.036 31.700 -0.001 0.000 0.763 155 K N 3.339 123.755 120.400 0.026 0.000 2.382 155 K HA 0.146 4.466 4.320 -0.000 0.000 0.275 155 K C 0.204 176.818 176.600 0.022 0.000 1.009 155 K CA 0.143 56.449 56.287 0.033 0.000 0.970 155 K CB 0.407 32.926 32.500 0.031 0.000 0.934 155 K HN 0.355 nan 8.250 nan 0.000 0.479 156 K N 2.836 123.250 120.400 0.023 0.000 2.345 156 K HA 0.278 4.598 4.320 -0.000 0.000 0.255 156 K C -0.652 175.951 176.600 0.006 0.000 0.934 156 K CA -0.851 55.441 56.287 0.010 0.000 0.801 156 K CB 1.963 34.468 32.500 0.009 0.000 1.137 156 K HN 0.348 nan 8.250 nan 0.000 0.424 157 R N 1.696 122.194 120.500 -0.005 0.000 2.449 157 R HA 0.179 4.519 4.340 -0.000 0.000 0.296 157 R C -0.330 175.967 176.300 -0.006 0.000 1.047 157 R CA -0.157 55.938 56.100 -0.008 0.000 1.018 157 R CB 0.269 30.553 30.300 -0.027 0.000 0.962 157 R HN 0.247 nan 8.270 nan 0.000 0.428 158 V N 4.291 124.214 119.914 0.015 0.000 2.876 158 V HA 0.365 4.484 4.120 -0.000 0.000 0.312 158 V C -0.945 175.208 176.094 0.097 0.000 1.085 158 V CA -0.904 61.409 62.300 0.021 0.000 0.945 158 V CB 2.053 33.871 31.823 -0.008 0.000 1.017 158 V HN 0.569 nan 8.190 nan 0.000 0.428 159 F N 4.826 124.726 119.950 -0.083 0.000 2.427 159 F HA 0.623 5.150 4.527 -0.000 0.000 0.348 159 F C -0.536 175.213 175.800 -0.084 0.000 1.125 159 F CA -1.035 56.943 58.000 -0.037 0.000 0.989 159 F CB 1.004 39.942 39.000 -0.104 0.000 1.165 159 F HN 0.328 nan 8.300 nan 0.000 0.442 160 L N 6.617 127.474 121.223 -0.610 0.000 2.363 160 L HA 0.283 4.623 4.340 -0.000 0.000 0.286 160 L C -0.048 176.008 176.870 -1.356 0.000 1.106 160 L CA -0.116 54.260 54.840 -0.774 0.000 0.859 160 L CB 0.534 42.452 42.059 -0.236 0.000 1.223 160 L HN 0.640 nan 8.230 nan 0.000 0.446 161 Q N 4.175 123.141 119.800 -1.389 0.000 2.314 161 Q HA 0.453 4.793 4.340 -0.000 0.000 0.259 161 Q C -1.618 173.910 176.000 -0.787 0.000 0.951 161 Q CA -0.569 54.645 55.803 -0.981 0.000 0.909 161 Q CB 0.926 29.417 28.738 -0.412 0.000 1.236 161 Q HN 0.405 nan 8.270 nan 0.000 0.444 162 F N 2.775 122.401 119.950 -0.541 0.000 2.496 162 F HA 0.736 5.263 4.527 -0.000 0.000 0.341 162 F C 0.532 176.240 175.800 -0.155 0.000 1.134 162 F CA -0.195 57.578 58.000 -0.378 0.000 0.968 162 F CB 1.769 40.415 39.000 -0.591 0.000 1.205 162 F HN 0.789 nan 8.300 nan 0.000 0.436 163 G N 1.956 110.800 108.800 0.073 0.000 2.619 163 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.686 163 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.686 163 G C -0.409 174.473 174.900 -0.030 0.000 1.256 163 G CA -0.446 44.689 45.100 0.058 0.000 0.826 163 G HN 0.569 nan 8.290 nan 0.000 0.619 164 I N -0.201 120.342 120.570 -0.045 0.000 3.818 164 I HA 0.137 4.307 4.170 -0.000 0.000 0.242 164 I C 2.360 178.401 176.117 -0.126 0.000 1.111 164 I CA 0.123 61.347 61.300 -0.126 0.000 1.576 164 I CB -0.540 37.449 38.000 -0.018 0.000 1.572 164 I HN 0.624 nan 8.210 nan 0.000 0.450 165 N N 2.835 121.542 118.700 0.012 0.000 2.019 165 N HA -0.123 4.617 4.740 -0.000 0.000 0.198 165 N C -1.858 173.685 175.510 0.054 0.000 1.065 165 N CA 1.700 54.792 53.050 0.071 0.000 0.881 165 N CB -1.403 37.115 38.487 0.052 0.000 1.079 165 N HN 0.101 nan 8.380 nan 0.000 0.460 166 P HA 0.340 nan 4.420 nan 0.000 0.284 166 P C -2.726 174.599 177.300 0.041 0.000 1.432 166 P CA -1.460 61.667 63.100 0.046 0.000 0.929 166 P CB 0.896 32.626 31.700 0.050 0.000 1.158 167 P HA 0.068 nan 4.420 nan 0.000 0.264 167 P C -0.496 176.903 177.300 0.165 0.000 1.229 167 P CA 0.270 63.394 63.100 0.039 0.000 0.780 167 P CB -0.224 31.471 31.700 -0.008 0.000 0.808 168 F N 3.664 123.631 119.950 0.028 0.000 2.425 168 F HA 0.752 5.279 4.527 -0.000 0.000 0.331 168 F C -0.227 175.561 175.800 -0.019 0.000 1.085 168 F CA -0.512 57.456 58.000 -0.055 0.000 1.028 168 F CB 1.528 40.420 39.000 -0.179 0.000 1.177 168 F HN 0.190 nan 8.300 nan 0.000 0.487 169 T N 2.445 116.718 114.554 -0.468 0.000 2.838 169 T HA 0.533 4.882 4.350 -0.000 0.000 0.292 169 T C -1.320 173.124 174.700 -0.428 0.000 1.113 169 T CA -0.553 61.205 62.100 -0.570 0.000 1.008 169 T CB 1.449 70.252 68.868 -0.110 0.000 1.259 169 T HN 0.896 nan 8.240 nan 0.000 0.520 170 S N 0.159 115.735 115.700 -0.208 0.000 2.565 170 S HA 0.731 5.201 4.470 -0.000 0.000 0.290 170 S C 0.758 175.523 174.600 0.274 0.000 1.150 170 S CA -0.053 58.211 58.200 0.106 0.000 1.058 170 S CB 0.701 63.963 63.200 0.103 0.000 1.032 170 S HN 0.992 nan 8.310 nan 0.000 0.510 171 G N 2.158 111.173 108.800 0.358 0.000 2.514 171 G HA2 0.211 4.171 3.960 -0.000 0.000 0.245 171 G HA3 0.211 4.171 3.960 -0.000 0.000 0.245 171 G C 0.633 175.667 174.900 0.223 0.000 1.488 171 G CA 0.060 45.321 45.100 0.268 0.000 1.063 171 G HN 0.852 nan 8.290 nan 0.000 0.557 172 K N -0.824 119.680 120.400 0.174 0.000 2.314 172 K HA 0.161 4.481 4.320 -0.000 0.000 0.198 172 K C 0.607 177.280 176.600 0.122 0.000 1.045 172 K CA 0.640 57.013 56.287 0.144 0.000 0.988 172 K CB 0.286 32.857 32.500 0.118 0.000 0.783 172 K HN 0.376 nan 8.250 nan 0.000 0.484 173 E N 2.584 122.849 120.200 0.108 0.000 2.028 173 E HA 0.077 4.427 4.350 -0.000 0.000 0.275 173 E C -0.910 175.737 176.600 0.078 0.000 1.171 173 E CA -0.440 56.005 56.400 0.075 0.000 1.186 173 E CB 0.542 30.265 29.700 0.038 0.000 1.256 173 E HN 0.407 nan 8.360 nan 0.000 0.474 174 S N 0.022 115.784 115.700 0.103 0.000 2.656 174 S HA 0.312 4.782 4.470 -0.000 0.000 0.273 174 S C 0.169 174.819 174.600 0.083 0.000 1.168 174 S CA -0.833 57.433 58.200 0.110 0.000 0.817 174 S CB 0.951 64.274 63.200 0.205 0.000 1.146 174 S HN 0.207 nan 8.310 nan 0.000 0.475 175 I N 0.891 121.493 120.570 0.054 0.000 2.876 175 I HA 0.164 4.334 4.170 -0.000 0.000 0.264 175 I C 2.010 178.143 176.117 0.027 0.000 1.204 175 I CA 1.236 62.555 61.300 0.031 0.000 1.485 175 I CB -0.560 37.445 38.000 0.008 0.000 1.103 175 I HN 0.711 nan 8.210 nan 0.000 0.446 176 Q N 0.032 119.796 119.800 -0.060 0.000 2.123 176 Q HA -0.124 4.216 4.340 -0.000 0.000 0.199 176 Q C 2.049 178.190 176.000 0.234 0.000 0.966 176 Q CA 1.666 57.373 55.803 -0.160 0.000 0.845 176 Q CB -0.570 27.974 28.738 -0.324 0.000 0.907 176 Q HN 0.578 nan 8.270 nan 0.000 0.439 177 N N 0.001 118.808 118.700 0.179 0.000 2.171 177 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 177 N C 1.670 177.283 175.510 0.172 0.000 1.021 177 N CA 1.221 54.385 53.050 0.189 0.000 0.854 177 N CB 0.025 38.613 38.487 0.168 0.000 0.994 177 N HN 0.291 nan 8.380 nan 0.000 0.426 178 Q N -0.034 119.857 119.800 0.151 0.000 2.050 178 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 178 Q C 1.750 177.859 176.000 0.182 0.000 0.980 178 Q CA 1.614 57.505 55.803 0.148 0.000 0.840 178 Q CB -0.054 28.745 28.738 0.101 0.000 0.898 178 Q HN 0.247 nan 8.270 nan 0.000 0.424 179 V N 1.397 121.434 119.914 0.206 0.000 2.392 179 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 179 V C 2.357 178.543 176.094 0.153 0.000 1.059 179 V CA 1.614 64.047 62.300 0.221 0.000 1.051 179 V CB -0.685 31.358 31.823 0.366 0.000 0.658 179 V HN 0.452 nan 8.190 nan 0.000 0.455 180 L N 0.362 121.692 121.223 0.178 0.000 2.017 180 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 180 L C 2.376 179.288 176.870 0.069 0.000 1.073 180 L CA 1.989 56.889 54.840 0.100 0.000 0.745 180 L CB -0.749 41.390 42.059 0.134 0.000 0.894 180 L HN 0.373 nan 8.230 nan 0.000 0.432 181 E N -0.985 119.276 120.200 0.101 0.000 2.106 181 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 181 E C 2.279 178.925 176.600 0.077 0.000 0.984 181 E CA 1.325 57.779 56.400 0.090 0.000 0.806 181 E CB -0.338 29.427 29.700 0.108 0.000 0.750 181 E HN 0.441 nan 8.360 nan 0.000 0.458 182 V N 0.571 120.543 119.914 0.095 0.000 2.626 182 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 182 V C 1.591 177.654 176.094 -0.051 0.000 1.067 182 V CA 1.316 63.644 62.300 0.047 0.000 1.081 182 V CB -0.144 31.772 31.823 0.155 0.000 0.686 182 V HN 0.389 nan 8.190 nan 0.000 0.468 183 c N 1.629 120.160 118.600 -0.114 0.000 2.524 183 c HA 0.515 5.084 4.570 -0.000 0.000 0.301 183 c C 1.708 175.757 174.090 -0.068 0.000 1.296 183 c CA 0.135 56.257 56.329 -0.346 0.000 1.683 183 c CB -1.594 40.712 42.510 -0.340 0.000 1.764 183 c HN 0.904 nan 8.230 nan 0.000 0.597 184 G N 0.821 109.664 108.800 0.072 0.000 2.182 184 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.248 184 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.248 184 G C 0.201 175.144 174.900 0.071 0.000 1.042 184 G CA 0.088 45.262 45.100 0.124 0.000 0.775 184 G HN 0.816 nan 8.290 nan 0.000 0.501 185 G N -1.117 107.711 108.800 0.045 0.000 2.454 185 G HA2 0.670 4.630 3.960 -0.000 0.000 0.329 185 G HA3 0.670 4.630 3.960 -0.000 0.000 0.329 185 G C -0.822 174.106 174.900 0.047 0.000 1.177 185 G CA -0.515 44.606 45.100 0.035 0.000 0.951 185 G HN 0.139 nan 8.290 nan 0.000 0.485 186 E N 1.205 121.430 120.200 0.041 0.000 2.220 186 E HA 0.134 4.484 4.350 -0.000 0.000 0.256 186 E C -0.664 175.970 176.600 0.057 0.000 0.881 186 E CA -0.829 55.600 56.400 0.048 0.000 0.766 186 E CB 1.805 31.524 29.700 0.032 0.000 1.187 186 E HN 0.469 nan 8.360 nan 0.000 0.419 187 N N 3.275 122.027 118.700 0.087 0.000 2.440 187 N HA -0.005 4.735 4.740 -0.000 0.000 0.265 187 N C 1.284 176.848 175.510 0.090 0.000 1.239 187 N CA 0.087 53.212 53.050 0.125 0.000 0.909 187 N CB 0.559 39.148 38.487 0.170 0.000 1.066 187 N HN 0.572 nan 8.380 nan 0.000 0.474 188 I N 0.125 120.732 120.570 0.061 0.000 3.001 188 I HA 0.036 4.206 4.170 -0.000 0.000 0.268 188 I C 0.103 176.044 176.117 -0.294 0.000 1.267 188 I CA 0.960 62.178 61.300 -0.137 0.000 1.472 188 I CB -0.225 37.628 38.000 -0.244 0.000 1.089 188 I HN 0.218 nan 8.210 nan 0.000 0.468 189 F N 1.201 121.241 119.950 0.150 0.000 2.791 189 F HA 0.341 4.868 4.527 -0.000 0.000 0.308 189 F C 1.880 177.761 175.800 0.134 0.000 1.138 189 F CA -0.451 57.640 58.000 0.151 0.000 1.294 189 F CB 0.235 39.358 39.000 0.204 0.000 0.975 189 F HN -0.115 nan 8.300 nan 0.000 0.512 190 K N 1.136 121.670 120.400 0.222 0.000 2.152 190 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 190 K C 1.548 178.243 176.600 0.159 0.000 1.048 190 K CA 1.927 58.319 56.287 0.176 0.000 0.933 190 K CB -0.073 32.499 32.500 0.120 0.000 0.721 190 K HN 0.339 nan 8.250 nan 0.000 0.447 191 D N 0.064 120.552 120.400 0.147 0.000 2.336 191 D HA -0.065 4.575 4.640 -0.000 0.000 0.229 191 D C 0.145 176.536 176.300 0.153 0.000 1.061 191 D CA 0.047 54.122 54.000 0.125 0.000 0.875 191 D CB 0.001 40.856 40.800 0.093 0.000 0.904 191 D HN -0.054 nan 8.370 nan 0.000 0.525 192 S N 0.352 116.177 115.700 0.207 0.000 2.549 192 S HA 0.041 4.511 4.470 -0.000 0.000 0.286 192 S C 0.962 175.646 174.600 0.141 0.000 1.314 192 S CA -0.471 57.851 58.200 0.204 0.000 1.062 192 S CB 1.130 64.473 63.200 0.239 0.000 0.865 192 S HN 0.117 nan 8.310 nan 0.000 0.498 193 R N 3.348 123.918 120.500 0.116 0.000 2.276 193 R HA 0.256 4.596 4.340 -0.000 0.000 0.196 193 R C -0.364 175.979 176.300 0.072 0.000 0.961 193 R CA 0.434 56.584 56.100 0.082 0.000 1.024 193 R CB -0.040 30.300 30.300 0.068 0.000 0.940 193 R HN 0.473 nan 8.270 nan 0.000 0.480 194 V N 2.668 122.638 119.914 0.092 0.000 2.435 194 V HA 0.269 4.389 4.120 -0.000 0.000 0.290 194 V C -1.457 174.707 176.094 0.118 0.000 1.030 194 V CA -1.699 60.651 62.300 0.084 0.000 0.881 194 V CB 1.877 33.754 31.823 0.090 0.000 0.983 194 V HN 0.145 nan 8.190 nan 0.000 0.445 195 P HA -0.130 nan 4.420 nan 0.000 0.216 195 P C -0.025 177.493 177.300 0.363 0.000 1.153 195 P CA 1.512 64.665 63.100 0.088 0.000 0.858 195 P CB 0.275 31.895 31.700 -0.133 0.000 0.789 196 W N 1.427 122.747 121.300 0.033 0.000 2.104 196 W HA 0.367 5.027 4.660 -0.000 0.000 0.291 196 W C -2.416 174.152 176.519 0.082 0.000 0.936 196 W CA -3.004 54.395 57.345 0.089 0.000 1.856 196 W CB -0.007 29.402 29.460 -0.085 0.000 2.036 196 W HN 0.026 nan 8.180 nan 0.000 0.393 197 P HA 0.186 nan 4.420 nan 0.000 0.276 197 P C -0.127 177.225 177.300 0.087 0.000 1.244 197 P CA -0.045 63.128 63.100 0.122 0.000 0.801 197 P CB 1.702 33.442 31.700 0.066 0.000 1.006 198 Q N 0.212 120.048 119.800 0.059 0.000 2.235 198 Q HA 0.525 4.865 4.340 -0.000 0.000 0.256 198 Q C -0.117 175.881 176.000 -0.003 0.000 0.951 198 Q CA -0.773 55.064 55.803 0.057 0.000 0.890 198 Q CB 1.888 30.669 28.738 0.071 0.000 1.279 198 Q HN 0.403 nan 8.270 nan 0.000 0.444 199 V N -2.094 117.823 119.914 0.004 0.000 2.962 199 V HA 0.831 4.950 4.120 -0.000 0.000 0.313 199 V C -0.207 175.946 176.094 0.099 0.000 1.099 199 V CA -0.872 61.441 62.300 0.021 0.000 0.971 199 V CB 2.029 33.786 31.823 -0.110 0.000 1.028 199 V HN 0.677 nan 8.190 nan 0.000 0.430 200 S N 1.520 117.292 115.700 0.121 0.000 2.713 200 S HA 0.553 5.022 4.470 -0.000 0.000 0.283 200 S C 0.571 175.256 174.600 0.142 0.000 1.161 200 S CA -0.848 57.412 58.200 0.100 0.000 0.999 200 S CB 1.347 64.593 63.200 0.077 0.000 1.039 200 S HN 0.900 nan 8.310 nan 0.000 0.548 201 R N 1.290 121.846 120.500 0.093 0.000 3.081 201 R HA 0.281 4.621 4.340 -0.000 0.000 0.280 201 R C 0.472 176.844 176.300 0.120 0.000 1.372 201 R CA 0.016 56.204 56.100 0.146 0.000 1.242 201 R CB -0.293 30.036 30.300 0.047 0.000 1.316 201 R HN 0.712 nan 8.270 nan 0.000 0.585 202 E N 0.616 120.879 120.200 0.105 0.000 2.536 202 E HA -0.009 4.341 4.350 -0.000 0.000 0.220 202 E C 1.216 177.858 176.600 0.070 0.000 0.876 202 E CA 0.092 56.536 56.400 0.073 0.000 1.190 202 E CB 0.481 30.214 29.700 0.055 0.000 1.191 202 E HN 0.373 nan 8.360 nan 0.000 0.557 203 Q N -0.035 119.828 119.800 0.105 0.000 2.302 203 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 203 Q C 1.983 177.981 176.000 -0.002 0.000 0.936 203 Q CA 1.018 56.873 55.803 0.088 0.000 0.886 203 Q CB 0.568 29.438 28.738 0.220 0.000 0.986 203 Q HN 0.121 nan 8.270 nan 0.000 0.487 204 V N 1.555 121.497 119.914 0.047 0.000 2.255 204 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 204 V C 2.196 178.253 176.094 -0.061 0.000 1.038 204 V CA 1.489 63.753 62.300 -0.061 0.000 1.008 204 V CB -0.525 31.310 31.823 0.020 0.000 0.645 204 V HN 0.325 nan 8.190 nan 0.000 0.449 205 L N 0.473 121.705 121.223 0.015 0.000 2.127 205 L HA -0.153 4.187 4.340 -0.000 0.000 0.211 205 L C 2.404 179.264 176.870 -0.016 0.000 1.089 205 L CA 1.510 56.355 54.840 0.008 0.000 0.757 205 L CB -0.744 41.340 42.059 0.042 0.000 0.899 205 L HN 0.388 nan 8.230 nan 0.000 0.434 206 A N -0.605 122.203 122.820 -0.019 0.000 2.235 206 A HA -0.002 4.318 4.320 -0.000 0.000 0.208 206 A C 1.820 179.372 177.584 -0.053 0.000 1.172 206 A CA 0.450 52.472 52.037 -0.026 0.000 0.786 206 A CB -0.249 18.743 19.000 -0.013 0.000 0.804 206 A HN 0.300 nan 8.150 nan 0.000 0.479 207 R N 0.076 120.527 120.500 -0.081 0.000 2.543 207 R HA 0.088 4.428 4.340 -0.000 0.000 0.323 207 R C 0.300 176.550 176.300 -0.083 0.000 1.002 207 R CA 0.676 56.714 56.100 -0.104 0.000 1.106 207 R CB -0.213 29.977 30.300 -0.183 0.000 1.280 207 R HN 0.677 nan 8.270 nan 0.000 0.549 208 S N 1.827 117.490 115.700 -0.062 0.000 3.315 208 S HA -0.112 4.358 4.470 -0.000 0.000 0.294 208 S C -1.704 172.860 174.600 -0.061 0.000 0.856 208 S CA -0.149 58.020 58.200 -0.051 0.000 1.370 208 S CB -1.245 61.934 63.200 -0.036 0.000 1.080 208 S HN 0.265 nan 8.310 nan 0.000 0.483 209 P HA 0.315 nan 4.420 nan 0.000 0.279 209 P C 0.106 177.363 177.300 -0.072 0.000 1.252 209 P CA -0.516 62.532 63.100 -0.087 0.000 0.811 209 P CB 0.875 32.495 31.700 -0.132 0.000 1.035 210 Q N -0.404 119.360 119.800 -0.061 0.000 2.211 210 Q HA 0.449 4.789 4.340 -0.000 0.000 0.242 210 Q C 0.093 176.061 176.000 -0.054 0.000 0.825 210 Q CA -0.025 55.748 55.803 -0.050 0.000 0.951 210 Q CB 1.063 29.781 28.738 -0.034 0.000 1.130 210 Q HN 0.644 nan 8.270 nan 0.000 0.496 211 A N 0.430 123.213 122.820 -0.063 0.000 2.599 211 A HA 0.739 5.059 4.320 -0.000 0.000 0.290 211 A C -1.752 175.787 177.584 -0.076 0.000 1.101 211 A CA -0.559 51.438 52.037 -0.067 0.000 0.674 211 A CB 1.248 20.215 19.000 -0.055 0.000 1.277 211 A HN 0.130 nan 8.150 nan 0.000 0.419 212 I N 0.250 120.765 120.570 -0.091 0.000 2.769 212 I HA 0.527 4.697 4.170 -0.000 0.000 0.298 212 I C -1.195 174.831 176.117 -0.151 0.000 1.128 212 I CA -1.016 60.222 61.300 -0.103 0.000 1.031 212 I CB 2.365 40.294 38.000 -0.118 0.000 1.235 212 I HN 0.368 nan 8.210 nan 0.000 0.423 213 V N 6.022 125.795 119.914 -0.235 0.000 2.487 213 V HA 0.544 4.664 4.120 -0.000 0.000 0.298 213 V C -0.152 175.699 176.094 -0.404 0.000 1.028 213 V CA -0.478 61.647 62.300 -0.292 0.000 0.860 213 V CB 1.895 33.535 31.823 -0.305 0.000 0.991 213 V HN 0.560 nan 8.190 nan 0.000 0.427 214 I N 1.813 122.184 120.570 -0.331 0.000 3.206 214 I HA 0.894 5.064 4.170 -0.000 0.000 0.313 214 I C -0.070 175.873 176.117 -0.289 0.000 1.103 214 I CA -0.673 60.421 61.300 -0.344 0.000 0.985 214 I CB 2.761 40.638 38.000 -0.205 0.000 1.240 214 I HN 0.601 nan 8.210 nan 0.000 0.464 215 T N 0.026 114.442 114.554 -0.230 0.000 2.794 215 T HA 0.857 5.207 4.350 -0.000 0.000 0.280 215 T C 0.061 174.702 174.700 -0.098 0.000 0.987 215 T CA -0.014 62.013 62.100 -0.122 0.000 0.993 215 T CB 1.089 69.952 68.868 -0.009 0.000 0.939 215 T HN 1.646 nan 8.240 nan 0.000 0.449 216 G N 1.363 110.097 108.800 -0.110 0.000 2.278 216 G HA2 0.449 4.409 3.960 -0.000 0.000 0.265 216 G HA3 0.449 4.409 3.960 -0.000 0.000 0.265 216 G C -0.284 174.538 174.900 -0.130 0.000 1.329 216 G CA -0.347 44.688 45.100 -0.109 0.000 1.017 216 G HN 1.119 nan 8.290 nan 0.000 0.472 217 G N -0.931 107.804 108.800 -0.110 0.000 2.613 217 G HA2 0.651 4.611 3.960 -0.000 0.000 0.303 217 G HA3 0.651 4.611 3.960 -0.000 0.000 0.303 217 G C -1.701 173.151 174.900 -0.079 0.000 1.312 217 G CA -0.629 44.408 45.100 -0.105 0.000 1.036 217 G HN 0.472 nan 8.290 nan 0.000 0.513 218 P HA 0.021 nan 4.420 nan 0.000 0.236 218 P C 0.736 178.013 177.300 -0.038 0.000 1.172 218 P CA 0.905 63.975 63.100 -0.050 0.000 0.759 218 P CB 0.228 31.903 31.700 -0.041 0.000 0.843 219 D N -1.058 119.318 120.400 -0.041 0.000 2.327 219 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 219 D C 1.180 177.465 176.300 -0.024 0.000 0.989 219 D CA 0.684 54.666 54.000 -0.029 0.000 0.873 219 D CB -0.717 40.065 40.800 -0.031 0.000 0.955 219 D HN 0.197 nan 8.370 nan 0.000 0.515 220 Q N 0.011 119.790 119.800 -0.034 0.000 2.225 220 Q HA 0.315 4.655 4.340 -0.000 0.000 0.222 220 Q C 1.383 177.371 176.000 -0.021 0.000 0.887 220 Q CA -0.173 55.614 55.803 -0.028 0.000 0.958 220 Q CB 0.448 29.161 28.738 -0.042 0.000 1.058 220 Q HN 0.383 nan 8.270 nan 0.000 0.459 221 I N 0.963 121.524 120.570 -0.014 0.000 3.081 221 I HA -0.028 4.142 4.170 -0.000 0.000 0.274 221 I C -0.803 175.329 176.117 0.026 0.000 1.178 221 I CA -0.148 61.151 61.300 -0.002 0.000 1.460 221 I CB -0.712 37.280 38.000 -0.013 0.000 1.137 221 I HN 0.128 nan 8.210 nan 0.000 0.443 222 P HA -0.207 nan 4.420 nan 0.000 0.215 222 P C 1.262 178.598 177.300 0.060 0.000 1.157 222 P CA 1.668 64.790 63.100 0.037 0.000 0.868 222 P CB -0.093 31.621 31.700 0.024 0.000 0.788 223 K N -0.622 119.813 120.400 0.057 0.000 2.057 223 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 223 K C 2.169 178.850 176.600 0.135 0.000 1.049 223 K CA 1.082 57.417 56.287 0.081 0.000 0.931 223 K CB -0.467 32.068 32.500 0.058 0.000 0.714 223 K HN 0.114 nan 8.250 nan 0.000 0.440 224 I N 1.763 122.409 120.570 0.125 0.000 2.567 224 I HA -0.212 3.958 4.170 -0.000 0.000 0.257 224 I C 1.788 178.081 176.117 0.293 0.000 1.184 224 I CA 1.507 62.926 61.300 0.198 0.000 1.451 224 I CB -0.645 37.427 38.000 0.120 0.000 1.089 224 I HN 0.182 nan 8.210 nan 0.000 0.441 225 K N 0.189 120.708 120.400 0.199 0.000 2.211 225 K HA -0.017 4.303 4.320 -0.000 0.000 0.201 225 K C 2.021 178.732 176.600 0.185 0.000 1.052 225 K CA 0.396 56.799 56.287 0.194 0.000 0.973 225 K CB 0.047 32.614 32.500 0.112 0.000 0.766 225 K HN 0.367 nan 8.250 nan 0.000 0.466 226 Q N -0.089 119.799 119.800 0.146 0.000 2.124 226 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 226 Q C 1.827 177.880 176.000 0.088 0.000 0.977 226 Q CA 1.554 57.415 55.803 0.096 0.000 0.850 226 Q CB -0.260 28.523 28.738 0.075 0.000 0.901 226 Q HN 0.322 nan 8.270 nan 0.000 0.429 227 Y N 0.290 120.617 120.300 0.045 0.000 2.049 227 Y HA -0.252 4.298 4.550 -0.000 0.000 0.277 227 Y C 1.533 177.369 175.900 -0.107 0.000 1.143 227 Y CA 1.511 59.588 58.100 -0.039 0.000 1.115 227 Y CB -0.206 38.243 38.460 -0.018 0.000 0.975 227 Y HN 0.210 nan 8.280 nan 0.000 0.487 228 W N 1.754 123.164 121.300 0.182 0.000 3.316 228 W HA 0.128 4.788 4.660 -0.000 0.000 0.258 228 W C 1.421 177.934 176.519 -0.009 0.000 1.330 228 W CA 1.150 58.544 57.345 0.081 0.000 1.595 228 W CB -1.043 28.520 29.460 0.171 0.000 1.088 228 W HN 0.544 nan 8.180 nan 0.000 0.734 229 G N 2.520 111.351 108.800 0.051 0.000 2.420 229 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.305 229 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.305 229 G C 0.809 175.759 174.900 0.083 0.000 0.971 229 G CA 1.161 46.278 45.100 0.028 0.000 0.843 229 G HN 0.675 nan 8.290 nan 0.000 0.512 230 E N -2.475 117.812 120.200 0.145 0.000 3.112 230 E HA -0.497 3.853 4.350 -0.000 0.000 0.272 230 E C 1.450 178.106 176.600 0.094 0.000 1.042 230 E CA 2.125 58.596 56.400 0.117 0.000 0.802 230 E CB -1.733 28.011 29.700 0.073 0.000 1.404 230 E HN 0.988 nan 8.360 nan 0.000 0.460 231 Q N 0.152 120.016 119.800 0.107 0.000 2.291 231 Q HA -0.025 4.315 4.340 -0.000 0.000 0.205 231 Q C 1.073 177.125 176.000 0.086 0.000 0.970 231 Q CA 1.232 57.083 55.803 0.080 0.000 0.876 231 Q CB 0.021 28.803 28.738 0.072 0.000 0.935 231 Q HN 0.443 nan 8.270 nan 0.000 0.455 232 L N 2.139 123.436 121.223 0.122 0.000 2.360 232 L HA 0.302 4.642 4.340 -0.000 0.000 0.265 232 L C -1.063 175.820 176.870 0.021 0.000 1.066 232 L CA -0.519 54.357 54.840 0.060 0.000 0.929 232 L CB 0.925 43.004 42.059 0.033 0.000 1.306 232 L HN -0.079 nan 8.230 nan 0.000 0.434 233 K N 6.960 127.369 120.400 0.015 0.000 2.245 233 K HA 0.350 4.670 4.320 -0.000 0.000 0.281 233 K C -0.656 175.935 176.600 -0.017 0.000 1.079 233 K CA 0.315 56.606 56.287 0.006 0.000 1.000 233 K CB -0.242 32.262 32.500 0.008 0.000 1.038 233 K HN 0.664 nan 8.250 nan 0.000 0.430 234 I N -0.626 119.927 120.570 -0.028 0.000 2.913 234 I HA 0.450 4.620 4.170 -0.000 0.000 0.302 234 I C -2.864 173.228 176.117 -0.041 0.000 1.246 234 I CA -3.253 58.020 61.300 -0.044 0.000 1.010 234 I CB 1.892 39.846 38.000 -0.078 0.000 1.259 234 I HN 0.118 nan 8.210 nan 0.000 0.434 235 P HA 0.144 nan 4.420 nan 0.000 0.265 235 P C -0.795 176.474 177.300 -0.052 0.000 1.193 235 P CA -0.091 62.986 63.100 -0.039 0.000 0.765 235 P CB 0.737 32.415 31.700 -0.037 0.000 0.823 236 V N 5.495 125.382 119.914 -0.046 0.000 2.334 236 V HA 0.280 4.400 4.120 -0.000 0.000 0.281 236 V C 0.336 176.386 176.094 -0.073 0.000 1.016 236 V CA -0.343 61.922 62.300 -0.058 0.000 0.832 236 V CB 0.834 32.639 31.823 -0.031 0.000 0.999 236 V HN 0.407 nan 8.190 nan 0.000 0.439 237 I N 8.376 128.884 120.570 -0.103 0.000 2.287 237 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 237 I C -2.122 173.905 176.117 -0.150 0.000 1.069 237 I CA -1.700 59.529 61.300 -0.118 0.000 1.237 237 I CB 1.582 39.503 38.000 -0.132 0.000 1.418 237 I HN 0.395 nan 8.210 nan 0.000 0.481 238 P HA 0.278 nan 4.420 nan 0.000 0.287 238 P C -0.938 176.268 177.300 -0.157 0.000 1.294 238 P CA -0.135 62.883 63.100 -0.138 0.000 0.776 238 P CB 1.069 32.707 31.700 -0.103 0.000 0.889 239 L N 3.010 124.116 121.223 -0.195 0.000 2.329 239 L HA 0.347 4.687 4.340 -0.000 0.000 0.279 239 L C 0.830 177.594 176.870 -0.177 0.000 1.014 239 L CA -0.753 53.965 54.840 -0.204 0.000 0.814 239 L CB 1.366 43.217 42.059 -0.347 0.000 1.257 239 L HN 0.231 nan 8.230 nan 0.000 0.424 240 T N 1.397 115.815 114.554 -0.228 0.000 2.778 240 T HA -0.057 4.293 4.350 -0.000 0.000 0.282 240 T C 1.396 175.962 174.700 -0.223 0.000 0.983 240 T CA 0.020 61.896 62.100 -0.373 0.000 1.193 240 T CB 0.673 68.991 68.868 -0.917 0.000 0.938 240 T HN 0.737 nan 8.240 nan 0.000 0.523 241 S N 3.852 119.459 115.700 -0.155 0.000 2.389 241 S HA -0.218 4.251 4.470 -0.000 0.000 0.229 241 S C 1.824 176.433 174.600 0.014 0.000 1.048 241 S CA 1.771 59.952 58.200 -0.033 0.000 1.117 241 S CB -0.395 62.781 63.200 -0.041 0.000 1.020 241 S HN 0.772 nan 8.310 nan 0.000 0.430 242 D N 0.199 120.555 120.400 -0.074 0.000 2.116 242 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 242 D C 1.713 178.109 176.300 0.160 0.000 0.998 242 D CA 1.116 55.118 54.000 0.004 0.000 0.836 242 D CB -0.191 40.577 40.800 -0.052 0.000 0.951 242 D HN 0.478 nan 8.370 nan 0.000 0.449 243 W N 0.108 121.427 121.300 0.031 0.000 2.355 243 W HA -0.065 4.595 4.660 -0.000 0.000 0.309 243 W C 2.133 178.736 176.519 0.139 0.000 1.206 243 W CA -0.033 57.331 57.345 0.033 0.000 1.284 243 W CB -1.578 27.882 29.460 0.001 0.000 1.145 243 W HN -0.013 nan 8.180 nan 0.000 0.502 244 F N 1.594 121.675 119.950 0.218 0.000 2.408 244 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 244 F C 2.122 178.007 175.800 0.142 0.000 1.090 244 F CA 1.742 59.830 58.000 0.147 0.000 1.427 244 F CB -0.522 38.539 39.000 0.102 0.000 1.070 244 F HN -0.080 nan 8.300 nan 0.000 0.549 245 E N 0.124 120.407 120.200 0.138 0.000 2.079 245 E HA 0.050 4.400 4.350 -0.000 0.000 0.191 245 E C 0.643 177.262 176.600 0.032 0.000 0.961 245 E CA 0.352 56.774 56.400 0.037 0.000 0.823 245 E CB 0.023 29.762 29.700 0.065 0.000 0.789 245 E HN 0.166 nan 8.360 nan 0.000 0.459 246 R N 0.458 120.984 120.500 0.044 0.000 2.489 246 R HA 0.322 4.662 4.340 -0.000 0.000 0.287 246 R C -0.441 175.852 176.300 -0.011 0.000 1.053 246 R CA 0.344 56.439 56.100 -0.008 0.000 1.036 246 R CB 0.867 31.167 30.300 -0.000 0.000 0.966 246 R HN 0.119 nan 8.270 nan 0.000 0.432 247 A N 2.707 125.496 122.820 -0.052 0.000 3.004 247 A HA 0.292 4.612 4.320 -0.000 0.000 0.286 247 A C -0.275 177.283 177.584 -0.044 0.000 1.632 247 A CA -0.238 51.779 52.037 -0.034 0.000 1.339 247 A CB -0.279 18.706 19.000 -0.026 0.000 1.136 247 A HN 0.763 nan 8.150 nan 0.000 0.577 248 S N 0.359 116.043 115.700 -0.026 0.000 2.688 248 S HA 0.658 5.128 4.470 -0.000 0.000 0.275 248 S C -2.552 172.036 174.600 -0.020 0.000 1.175 248 S CA -1.113 57.076 58.200 -0.017 0.000 0.818 248 S CB 0.905 64.103 63.200 -0.005 0.000 1.157 248 S HN 0.041 nan 8.310 nan 0.000 0.482 249 P HA -0.124 nan 4.420 nan 0.000 0.218 249 P C 1.100 178.338 177.300 -0.103 0.000 1.152 249 P CA 1.438 64.521 63.100 -0.028 0.000 0.857 249 P CB -0.028 31.686 31.700 0.023 0.000 0.787 250 R N -1.147 119.258 120.500 -0.159 0.000 2.280 250 R HA 0.020 4.360 4.340 -0.000 0.000 0.207 250 R C 2.231 178.359 176.300 -0.288 0.000 1.043 250 R CA 0.448 56.340 56.100 -0.346 0.000 1.006 250 R CB -0.875 29.157 30.300 -0.447 0.000 0.885 250 R HN 0.275 nan 8.270 nan 0.000 0.467 251 I N 1.852 122.365 120.570 -0.096 0.000 2.700 251 I HA -0.215 3.954 4.170 -0.000 0.000 0.261 251 I C 2.066 178.177 176.117 -0.009 0.000 1.219 251 I CA 1.018 62.330 61.300 0.020 0.000 1.463 251 I CB 0.061 38.093 38.000 0.053 0.000 1.092 251 I HN 0.174 nan 8.210 nan 0.000 0.452 252 I N -2.030 118.479 120.570 -0.102 0.000 2.546 252 I HA -0.192 3.978 4.170 -0.000 0.000 0.255 252 I C 2.020 178.033 176.117 -0.173 0.000 1.163 252 I CA 1.185 62.429 61.300 -0.094 0.000 1.457 252 I CB -0.570 37.374 38.000 -0.093 0.000 1.092 252 I HN 0.126 nan 8.210 nan 0.000 0.434 253 L N 1.663 122.657 121.223 -0.381 0.000 2.083 253 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 253 L C 3.041 179.795 176.870 -0.193 0.000 1.083 253 L CA 1.424 55.873 54.840 -0.652 0.000 0.752 253 L CB -0.671 40.269 42.059 -1.865 0.000 0.899 253 L HN 0.390 nan 8.230 nan 0.000 0.433 254 A N -0.283 122.577 122.820 0.067 0.000 1.930 254 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 254 A C 2.529 180.110 177.584 -0.005 0.000 1.176 254 A CA 1.237 53.390 52.037 0.193 0.000 0.632 254 A CB -0.484 18.682 19.000 0.276 0.000 0.819 254 A HN 0.358 nan 8.150 nan 0.000 0.445 255 A N -0.590 122.228 122.820 -0.002 0.000 1.877 255 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 255 A C 2.165 179.694 177.584 -0.092 0.000 1.186 255 A CA 2.128 54.144 52.037 -0.035 0.000 0.620 255 A CB -0.530 18.479 19.000 0.015 0.000 0.822 255 A HN 0.509 nan 8.150 nan 0.000 0.443 256 Q N -0.260 119.493 119.800 -0.078 0.000 2.079 256 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 256 Q C 2.162 178.128 176.000 -0.058 0.000 0.974 256 Q CA 2.315 58.073 55.803 -0.076 0.000 0.840 256 Q CB -0.446 28.249 28.738 -0.071 0.000 0.898 256 Q HN 0.766 nan 8.270 nan 0.000 0.430 257 Q N -0.847 118.940 119.800 -0.022 0.000 2.050 257 Q HA -0.172 4.167 4.340 -0.000 0.000 0.202 257 Q C 1.920 177.879 176.000 -0.068 0.000 0.980 257 Q CA 1.596 57.403 55.803 0.005 0.000 0.840 257 Q CB -0.217 28.581 28.738 0.100 0.000 0.898 257 Q HN 0.460 nan 8.270 nan 0.000 0.424 258 L N 0.088 121.233 121.223 -0.131 0.000 2.072 258 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 258 L C 2.248 179.015 176.870 -0.171 0.000 1.079 258 L CA 1.576 56.308 54.840 -0.181 0.000 0.752 258 L CB -0.876 41.029 42.059 -0.256 0.000 0.906 258 L HN 0.374 nan 8.230 nan 0.000 0.436 259 c N 0.296 118.756 118.600 -0.234 0.000 2.401 259 c HA -0.167 4.403 4.570 -0.000 0.000 0.276 259 c C 2.659 176.671 174.090 -0.131 0.000 1.233 259 c CA 1.164 57.243 56.329 -0.415 0.000 1.753 259 c CB -1.344 40.789 42.510 -0.628 0.000 2.029 259 c HN 0.649 nan 8.230 nan 0.000 0.478 260 N N 0.935 119.611 118.700 -0.041 0.000 2.109 260 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 260 N C 1.951 177.478 175.510 0.028 0.000 1.034 260 N CA 1.714 54.789 53.050 0.042 0.000 0.846 260 N CB -0.667 37.835 38.487 0.024 0.000 1.010 260 N HN 0.512 nan 8.380 nan 0.000 0.425 261 A N 1.150 123.961 122.820 -0.016 0.000 1.933 261 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 261 A C 2.222 179.796 177.584 -0.017 0.000 1.175 261 A CA 0.964 52.987 52.037 -0.025 0.000 0.628 261 A CB -0.640 18.326 19.000 -0.056 0.000 0.814 261 A HN 0.222 nan 8.150 nan 0.000 0.444 262 L N 0.807 122.018 121.223 -0.020 0.000 2.141 262 L HA -0.098 4.241 4.340 -0.000 0.000 0.209 262 L C 2.688 179.589 176.870 0.051 0.000 1.094 262 L CA 2.395 57.234 54.840 -0.002 0.000 0.763 262 L CB -0.538 41.508 42.059 -0.021 0.000 0.908 262 L HN 0.505 nan 8.230 nan 0.000 0.437 263 S N -1.799 113.966 115.700 0.108 0.000 2.442 263 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 263 S C 1.712 176.339 174.600 0.046 0.000 1.007 263 S CA 0.768 59.037 58.200 0.116 0.000 0.965 263 S CB -0.465 62.832 63.200 0.162 0.000 0.773 263 S HN 0.538 nan 8.310 nan 0.000 0.504 264 Q N 0.911 120.729 119.800 0.030 0.000 2.432 264 Q HA 0.306 4.646 4.340 -0.000 0.000 0.205 264 Q C 0.448 176.449 176.000 0.002 0.000 0.945 264 Q CA 0.116 55.925 55.803 0.010 0.000 0.924 264 Q CB -0.397 28.343 28.738 0.004 0.000 1.016 264 Q HN 0.481 nan 8.270 nan 0.000 0.503 265 V N 2.975 122.890 119.914 0.002 0.000 2.637 265 V HA -0.016 4.104 4.120 -0.000 0.000 0.296 265 V C 0.681 176.772 176.094 -0.005 0.000 1.046 265 V CA -0.256 62.040 62.300 -0.007 0.000 1.066 265 V CB 0.676 32.491 31.823 -0.013 0.000 0.968 265 V HN 0.145 nan 8.190 nan 0.000 0.483 266 D N 0.000 120.394 120.400 -0.010 0.000 6.856 266 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 266 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 266 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 266 D HN 0.000 nan 8.370 nan 0.000 0.683