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 1dzh_1_L DATA FIRST_RESID 7 DATA SEQUENCE IcTAKPRDIP MNPMcIYRSX XXXXXXXXXX XXXXXXATNR RVWELSKANS DATA SEQUENCE RFATTFYQHL ADSKNDNDNI FLSPLSISTA FAMTKLGAcN DTLQQLMEVF DATA SEQUENCE KFDTISEKTS DQIHFFFAKL NcRLYRKANK SSKLVSANRL FGDKSLTFNE DATA SEQUENCE TYQDISELVY GAKLQPLDFK ENAEQSRAAI NKWVSNKTEG RITDVIPSEA DATA SEQUENCE INELTVLVLV NTIYFKGLWK SKFSPENTRK ELFYKADGES cSASMMYQEG DATA SEQUENCE KFRYRRVAEG TQVLELPFKG DDITMVLILP KPEKSLAKVE KELTPEVLQE DATA SEQUENCE WLDELEEMML VVHMPRFRIE DGFSLKEQLQ DMGLVDLFSP EKSKLPGIVA DATA SEQUENCE EGRDDLYVSD AFHKAFLEVN EEGSEAAAST AVVIAGRSLN PNRVTFKANR DATA SEQUENCE PFLVFIREVP LNTIIFMGRV ANPc 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.140 176.117 0.038 0.000 1.063 7 I CA 0.000 61.317 61.300 0.029 0.000 1.566 7 I CB 0.000 38.022 38.000 0.037 0.000 1.214 8 c N 0.059 118.676 118.600 0.029 0.000 2.492 8 c HA 0.012 4.587 4.570 0.009 0.000 0.279 8 c C 1.632 175.748 174.090 0.043 0.000 1.335 8 c CA 0.819 57.157 56.329 0.015 0.000 1.734 8 c CB -0.332 42.190 42.510 0.019 0.000 2.027 8 c HN 0.801 nan 8.230 nan 0.000 0.496 9 T N 1.455 116.042 114.554 0.056 0.000 3.176 9 T HA 0.592 4.948 4.350 0.009 0.000 0.301 9 T C -0.389 174.368 174.700 0.095 0.000 1.115 9 T CA 0.457 62.598 62.100 0.068 0.000 1.027 9 T CB -0.621 68.276 68.868 0.049 0.000 1.063 9 T HN 0.522 nan 8.240 nan 0.000 0.669 10 A N 2.597 125.509 122.820 0.153 0.000 2.601 10 A HA 0.850 5.176 4.320 0.009 0.000 0.291 10 A C -0.379 177.357 177.584 0.254 0.000 1.075 10 A CA -0.779 51.368 52.037 0.183 0.000 0.671 10 A CB 0.759 19.894 19.000 0.224 0.000 1.277 10 A HN 0.940 nan 8.150 nan 0.000 0.417 11 K N 0.567 121.033 120.400 0.110 0.000 2.139 11 K HA 0.804 5.130 4.320 0.009 0.000 0.243 11 K C -2.340 174.062 176.600 -0.331 0.000 0.983 11 K CA -1.232 55.069 56.287 0.024 0.000 0.890 11 K CB -0.257 32.241 32.500 -0.002 0.000 1.090 11 K HN 0.443 nan 8.250 nan 0.000 0.445 12 P HA -0.215 nan 4.420 nan 0.000 0.214 12 P C 1.877 178.858 177.300 -0.532 0.000 1.163 12 P CA 2.370 64.985 63.100 -0.809 0.000 0.889 12 P CB 0.169 31.708 31.700 -0.268 0.000 0.790 13 R N 0.199 120.540 120.500 -0.265 0.000 2.115 13 R HA -0.108 4.238 4.340 0.009 0.000 0.226 13 R C 1.920 178.130 176.300 -0.150 0.000 1.100 13 R CA 1.798 57.796 56.100 -0.171 0.000 0.980 13 R CB -2.116 nan 30.300 nan 0.000 0.875 13 R HN 0.213 nan 8.270 nan 0.000 0.445 14 D N 0.296 120.610 120.400 -0.143 0.000 2.127 14 D HA -0.119 4.527 4.640 0.009 0.000 0.190 14 D C 1.166 177.417 176.300 -0.081 0.000 1.000 14 D CA 2.246 56.194 54.000 -0.086 0.000 0.839 14 D CB -0.676 40.095 40.800 -0.047 0.000 0.955 14 D HN 0.527 nan 8.370 nan 0.000 0.446 15 I N 2.323 122.828 120.570 -0.108 0.000 2.379 15 I HA 0.195 4.370 4.170 0.009 0.000 0.290 15 I C -2.036 174.028 176.117 -0.088 0.000 1.063 15 I CA -1.547 59.715 61.300 -0.064 0.000 1.351 15 I CB -0.104 nan 38.000 nan 0.000 1.410 15 I HN -0.124 nan 8.210 nan 0.000 0.505 16 P HA 0.459 nan 4.420 nan 0.000 0.252 16 P C -0.096 177.173 177.300 -0.051 0.000 1.727 16 P CA 0.167 63.233 63.100 -0.057 0.000 1.134 16 P CB 0.424 32.099 31.700 -0.043 0.000 1.876 17 M N 1.956 121.522 119.600 -0.056 0.000 3.231 17 M HA 0.268 4.753 4.480 0.009 0.000 0.231 17 M C -0.244 176.032 176.300 -0.040 0.000 1.136 17 M CA -0.403 54.866 55.300 -0.050 0.000 0.990 17 M CB -0.746 31.831 32.600 -0.038 0.000 1.291 17 M HN 0.022 nan 8.290 nan 0.000 0.565 18 N N 3.228 121.908 118.700 -0.033 0.000 2.546 18 N HA 0.533 5.278 4.740 0.009 0.000 0.238 18 N C -2.472 173.031 175.510 -0.012 0.000 0.984 18 N CA -0.993 52.047 53.050 -0.016 0.000 0.935 18 N CB 1.870 40.349 38.487 -0.013 0.000 1.122 18 N HN 0.536 nan 8.380 nan 0.000 0.510 19 P HA 0.176 nan 4.420 nan 0.000 0.329 19 P C 1.046 178.354 177.300 0.013 0.000 1.319 19 P CA -0.423 62.675 63.100 -0.003 0.000 0.742 19 P CB 1.205 32.894 31.700 -0.017 0.000 1.564 20 M N -0.864 118.746 119.600 0.016 0.000 2.100 20 M HA 0.014 4.499 4.480 0.009 0.000 0.254 20 M C 0.943 177.259 176.300 0.026 0.000 1.106 20 M CA 1.496 56.806 55.300 0.016 0.000 1.127 20 M CB -0.510 32.093 32.600 0.005 0.000 1.263 20 M HN 0.199 nan 8.290 nan 0.000 0.427 21 c N 0.536 119.157 118.600 0.034 0.000 2.560 21 c HA 0.540 5.115 4.570 0.009 0.000 0.334 21 c C 0.349 174.486 174.090 0.078 0.000 1.404 21 c CA -0.556 55.806 56.329 0.055 0.000 2.410 21 c CB 0.496 43.041 42.510 0.059 0.000 2.268 21 c HN 0.558 nan 8.230 nan 0.000 0.673 22 I N -0.743 119.892 120.570 0.108 0.000 2.882 22 I HA 0.349 4.524 4.170 0.009 0.000 0.298 22 I C -1.650 174.591 176.117 0.206 0.000 1.462 22 I CA -0.438 60.941 61.300 0.131 0.000 1.000 22 I CB 1.886 39.936 38.000 0.082 0.000 1.340 22 I HN 0.640 nan 8.210 nan 0.000 0.462 23 Y N 3.410 123.743 120.300 0.055 0.000 2.553 23 Y HA 0.684 5.240 4.550 0.009 0.000 0.347 23 Y C -0.264 175.671 175.900 0.058 0.000 1.019 23 Y CA -0.511 57.624 58.100 0.058 0.000 1.032 23 Y CB 1.718 40.221 38.460 0.072 0.000 1.284 23 Y HN 0.413 nan 8.280 nan 0.000 0.466 24 R N 1.543 121.606 120.500 -0.729 0.000 2.730 24 R HA 1.017 5.363 4.340 0.009 0.000 0.228 24 R C -0.372 175.694 176.300 -0.389 0.000 1.312 24 R CA 0.006 55.842 56.100 -0.440 0.000 1.093 24 R CB 0.603 30.700 30.300 -0.338 0.000 1.583 24 R HN 1.227 nan 8.270 nan 0.000 0.535 44 T N 1.044 115.607 114.554 0.015 0.000 3.088 44 T HA 0.019 4.374 4.350 0.009 0.000 0.259 44 T C 1.476 176.160 174.700 -0.027 0.000 1.122 44 T CA 1.355 63.465 62.100 0.017 0.000 1.095 44 T CB -0.517 68.424 68.868 0.122 0.000 0.930 44 T HN 0.404 nan 8.240 nan 0.000 0.508 45 N N 1.688 120.378 118.700 -0.016 0.000 2.149 45 N HA -0.109 4.636 4.740 0.009 0.000 0.188 45 N C 2.244 177.741 175.510 -0.022 0.000 1.019 45 N CA 1.586 54.624 53.050 -0.019 0.000 0.857 45 N CB -0.485 37.994 38.487 -0.014 0.000 0.997 45 N HN 0.482 nan 8.380 nan 0.000 0.426 46 R N 1.468 121.947 120.500 -0.035 0.000 2.193 46 R HA 0.024 4.370 4.340 0.009 0.000 0.229 46 R C 2.016 178.301 176.300 -0.025 0.000 1.110 46 R CA 1.078 57.179 56.100 0.003 0.000 0.988 46 R CB -0.867 29.421 30.300 -0.021 0.000 0.871 46 R HN 0.192 nan 8.270 nan 0.000 0.458 47 R N 0.347 120.714 120.500 -0.223 0.000 2.070 47 R HA -0.061 4.284 4.340 0.009 0.000 0.233 47 R C 2.401 178.530 176.300 -0.286 0.000 1.137 47 R CA 1.546 57.326 56.100 -0.534 0.000 0.945 47 R CB -1.317 28.175 30.300 -1.348 0.000 0.845 47 R HN 0.374 nan 8.270 nan 0.000 0.430 48 V N 0.130 119.951 119.914 -0.155 0.000 2.231 48 V HA -0.286 3.839 4.120 0.009 0.000 0.250 48 V C 2.122 178.232 176.094 0.026 0.000 1.058 48 V CA 2.023 64.307 62.300 -0.027 0.000 1.022 48 V CB -0.779 31.046 31.823 0.003 0.000 0.640 48 V HN 0.396 nan 8.190 nan 0.000 0.445 49 W N 0.787 122.031 121.300 -0.093 0.000 2.325 49 W HA -0.209 4.456 4.660 0.008 0.000 0.299 49 W C 2.531 179.017 176.519 -0.055 0.000 1.215 49 W CA 2.217 59.522 57.345 -0.067 0.000 1.244 49 W CB -0.126 29.298 29.460 -0.059 0.000 1.140 49 W HN 0.292 nan 8.180 nan 0.000 0.523 50 E N -0.511 119.706 120.200 0.028 0.000 2.153 50 E HA -0.246 4.109 4.350 0.009 0.000 0.194 50 E C 2.046 178.571 176.600 -0.125 0.000 0.988 50 E CA 1.297 57.644 56.400 -0.088 0.000 0.811 50 E CB -0.457 29.258 29.700 0.024 0.000 0.746 50 E HN 0.229 nan 8.360 nan 0.000 0.466 51 L N 0.697 121.877 121.223 -0.071 0.000 2.093 51 L HA -0.156 4.189 4.340 0.009 0.000 0.208 51 L C 2.327 179.106 176.870 -0.151 0.000 1.085 51 L CA 2.020 56.830 54.840 -0.049 0.000 0.755 51 L CB -0.603 41.428 42.059 -0.047 0.000 0.904 51 L HN 0.073 nan 8.230 nan 0.000 0.435 52 S N -1.283 114.279 115.700 -0.230 0.000 2.370 52 S HA -0.254 4.221 4.470 0.009 0.000 0.226 52 S C 2.201 176.610 174.600 -0.318 0.000 1.033 52 S CA 1.556 59.594 58.200 -0.269 0.000 1.011 52 S CB -0.682 62.344 63.200 -0.291 0.000 0.852 52 S HN 0.366 nan 8.310 nan 0.000 0.457 53 K N 1.218 121.337 120.400 -0.469 0.000 2.026 53 K HA 0.170 4.495 4.320 0.009 0.000 0.208 53 K C 2.685 179.165 176.600 -0.199 0.000 1.048 53 K CA 1.166 57.216 56.287 -0.395 0.000 0.929 53 K CB -1.516 30.680 32.500 -0.506 0.000 0.713 53 K HN 0.682 nan 8.250 nan 0.000 0.439 54 A N 1.884 124.619 122.820 -0.140 0.000 1.859 54 A HA -0.285 4.040 4.320 0.009 0.000 0.217 54 A C 2.094 179.650 177.584 -0.048 0.000 1.198 54 A CA 2.211 54.207 52.037 -0.069 0.000 0.629 54 A CB -0.974 18.025 19.000 -0.002 0.000 0.830 54 A HN 0.549 nan 8.150 nan 0.000 0.446 55 N N 0.388 119.063 118.700 -0.041 0.000 2.037 55 N HA -0.146 4.599 4.740 0.009 0.000 0.196 55 N C 2.011 177.574 175.510 0.089 0.000 1.034 55 N CA 1.895 54.965 53.050 0.033 0.000 0.861 55 N CB -0.683 37.799 38.487 -0.008 0.000 1.039 55 N HN 0.518 nan 8.380 nan 0.000 0.427 56 S N 0.716 116.419 115.700 0.005 0.000 2.368 56 S HA -0.128 4.347 4.470 0.009 0.000 0.225 56 S C 1.932 176.534 174.600 0.004 0.000 1.030 56 S CA 0.898 59.100 58.200 0.003 0.000 0.999 56 S CB -0.120 63.040 63.200 -0.066 0.000 0.844 56 S HN 0.378 nan 8.310 nan 0.000 0.459 57 R N 0.349 120.838 120.500 -0.019 0.000 2.073 57 R HA -0.115 4.231 4.340 0.009 0.000 0.234 57 R C 2.095 178.393 176.300 -0.004 0.000 1.134 57 R CA 1.468 57.554 56.100 -0.024 0.000 0.952 57 R CB -0.472 29.806 30.300 -0.037 0.000 0.850 57 R HN 0.403 nan 8.270 nan 0.000 0.433 58 F N 1.143 121.038 119.950 -0.092 0.000 2.043 58 F HA -0.224 4.309 4.527 0.010 0.000 0.297 58 F C 2.135 177.942 175.800 0.012 0.000 1.121 58 F CA 1.741 59.675 58.000 -0.111 0.000 1.199 58 F CB -0.867 38.018 39.000 -0.192 0.000 0.968 58 F HN 0.151 nan 8.300 nan 0.000 0.478 59 A N -0.206 122.629 122.820 0.024 0.000 1.881 59 A HA -0.312 4.013 4.320 0.009 0.000 0.219 59 A C 2.241 179.831 177.584 0.010 0.000 1.215 59 A CA 2.943 55.002 52.037 0.035 0.000 0.648 59 A CB -1.662 17.419 19.000 0.134 0.000 0.832 59 A HN 0.505 nan 8.150 nan 0.000 0.455 60 T N -0.410 114.154 114.554 0.017 0.000 2.580 60 T HA -0.175 4.180 4.350 0.009 0.000 0.265 60 T C 2.062 176.760 174.700 -0.005 0.000 1.063 60 T CA 2.413 64.534 62.100 0.034 0.000 1.170 60 T CB -0.742 68.126 68.868 -0.001 0.000 0.863 60 T HN 0.643 nan 8.240 nan 0.000 0.418 61 T N 1.657 116.153 114.554 -0.096 0.000 2.684 61 T HA -0.089 4.267 4.350 0.009 0.000 0.267 61 T C 1.572 176.181 174.700 -0.152 0.000 1.036 61 T CA 1.325 63.359 62.100 -0.111 0.000 1.148 61 T CB -0.613 68.199 68.868 -0.094 0.000 0.863 61 T HN 0.347 nan 8.240 nan 0.000 0.436 62 F N 0.974 120.603 119.950 -0.536 0.000 2.095 62 F HA -0.185 4.347 4.527 0.009 0.000 0.298 62 F C 2.188 177.831 175.800 -0.263 0.000 1.104 62 F CA 1.164 58.821 58.000 -0.571 0.000 1.232 62 F CB -0.683 37.657 39.000 -1.100 0.000 0.987 62 F HN 0.165 nan 8.300 nan 0.000 0.475 63 Y N 1.470 121.601 120.300 -0.282 0.000 2.069 63 Y HA -0.385 4.171 4.550 0.010 0.000 0.278 63 Y C 2.510 178.231 175.900 -0.300 0.000 1.175 63 Y CA 2.590 60.537 58.100 -0.254 0.000 1.134 63 Y CB -0.809 37.593 38.460 -0.097 0.000 0.965 63 Y HN 0.319 nan 8.280 nan 0.000 0.498 64 Q N -1.479 118.186 119.800 -0.225 0.000 2.050 64 Q HA -0.240 4.106 4.340 0.009 0.000 0.202 64 Q C 1.976 177.717 176.000 -0.432 0.000 0.980 64 Q CA 1.963 57.585 55.803 -0.302 0.000 0.840 64 Q CB -0.604 28.017 28.738 -0.195 0.000 0.898 64 Q HN 0.661 nan 8.270 nan 0.000 0.424 65 H N 0.465 119.282 119.070 -0.422 0.000 2.319 65 H HA -0.149 4.413 4.556 0.010 0.000 0.299 65 H C 1.964 176.965 175.328 -0.545 0.000 1.092 65 H CA 1.494 57.282 56.048 -0.434 0.000 1.302 65 H CB -0.062 29.448 29.762 -0.421 0.000 1.373 65 H HN 0.095 nan 8.280 nan 0.000 0.497 66 L N 0.636 121.450 121.223 -0.681 0.000 2.046 66 L HA -0.139 4.207 4.340 0.009 0.000 0.208 66 L C 2.387 178.900 176.870 -0.596 0.000 1.077 66 L CA 1.774 56.162 54.840 -0.753 0.000 0.747 66 L CB -1.099 40.346 42.059 -1.022 0.000 0.896 66 L HN 0.293 nan 8.230 nan 0.000 0.432 67 A N -0.654 121.756 122.820 -0.684 0.000 1.869 67 A HA -0.307 4.019 4.320 0.009 0.000 0.218 67 A C 2.090 179.474 177.584 -0.334 0.000 1.203 67 A CA 2.169 53.879 52.037 -0.544 0.000 0.638 67 A CB -1.115 17.523 19.000 -0.602 0.000 0.831 67 A HN 0.552 nan 8.150 nan 0.000 0.450 68 D N -0.178 120.044 120.400 -0.296 0.000 2.149 68 D HA -0.191 4.454 4.640 0.009 0.000 0.194 68 D C 2.423 178.619 176.300 -0.174 0.000 1.001 68 D CA 2.045 55.921 54.000 -0.207 0.000 0.849 68 D CB -0.374 40.310 40.800 -0.193 0.000 0.939 68 D HN 0.610 nan 8.370 nan 0.000 0.449 69 S N -0.097 115.482 115.700 -0.202 0.000 2.419 69 S HA -0.119 4.357 4.470 0.009 0.000 0.233 69 S C 0.988 175.502 174.600 -0.143 0.000 1.016 69 S CA 0.710 58.810 58.200 -0.167 0.000 0.974 69 S CB 0.081 63.158 63.200 -0.205 0.000 0.786 69 S HN 0.086 nan 8.310 nan 0.000 0.492 70 K N 1.297 121.596 120.400 -0.169 0.000 2.210 70 K HA 0.311 4.637 4.320 0.009 0.000 0.236 70 K C -0.332 176.211 176.600 -0.095 0.000 1.016 70 K CA -0.757 55.456 56.287 -0.124 0.000 0.913 70 K CB 0.517 32.930 32.500 -0.145 0.000 1.141 70 K HN 0.324 nan 8.250 nan 0.000 0.462 71 N N 0.478 119.141 118.700 -0.061 0.000 2.424 71 N HA -0.040 4.706 4.740 0.009 0.000 0.257 71 N C -0.052 175.433 175.510 -0.041 0.000 1.250 71 N CA -0.422 52.603 53.050 -0.042 0.000 0.946 71 N CB 0.740 39.215 38.487 -0.020 0.000 1.175 71 N HN 0.343 nan 8.380 nan 0.000 0.477 72 D N 0.823 121.207 120.400 -0.026 0.000 2.224 72 D HA -0.081 4.564 4.640 0.009 0.000 0.205 72 D C 0.480 176.784 176.300 0.007 0.000 0.965 72 D CA 1.072 55.064 54.000 -0.013 0.000 0.852 72 D CB -0.052 40.746 40.800 -0.003 0.000 0.947 72 D HN 0.480 nan 8.370 nan 0.000 0.494 73 N N 0.484 119.192 118.700 0.012 0.000 2.336 73 N HA -0.008 4.737 4.740 0.009 0.000 0.189 73 N C 0.049 175.572 175.510 0.022 0.000 1.113 73 N CA 0.281 53.350 53.050 0.031 0.000 0.858 73 N CB 0.088 38.599 38.487 0.040 0.000 0.970 73 N HN 0.355 nan 8.380 nan 0.000 0.471 74 D N 0.236 120.638 120.400 0.003 0.000 2.264 74 D HA 0.244 4.889 4.640 0.009 0.000 0.249 74 D C 0.339 176.638 176.300 -0.002 0.000 1.070 74 D CA -0.467 53.533 54.000 0.001 0.000 0.912 74 D CB 0.706 41.503 40.800 -0.005 0.000 1.193 74 D HN -0.059 nan 8.370 nan 0.000 0.427 75 N N -0.567 118.136 118.700 0.005 0.000 2.371 75 N HA 0.514 5.260 4.740 0.009 0.000 0.243 75 N C -0.657 174.888 175.510 0.059 0.000 1.287 75 N CA 0.251 53.309 53.050 0.013 0.000 0.911 75 N CB 1.099 39.600 38.487 0.023 0.000 1.142 75 N HN 0.556 nan 8.380 nan 0.000 0.451 76 I N 1.079 121.718 120.570 0.115 0.000 2.685 76 I HA 0.274 4.449 4.170 0.009 0.000 0.289 76 I C -1.585 174.748 176.117 0.359 0.000 1.292 76 I CA -0.454 60.954 61.300 0.180 0.000 1.050 76 I CB 1.540 39.600 38.000 0.101 0.000 1.301 76 I HN 0.273 nan 8.210 nan 0.000 0.425 77 F N 8.068 128.159 119.950 0.235 0.000 2.619 77 F HA 0.874 5.407 4.527 0.009 0.000 0.308 77 F C -1.715 174.346 175.800 0.436 0.000 1.097 77 F CA -0.788 57.374 58.000 0.271 0.000 0.953 77 F CB 1.878 40.999 39.000 0.203 0.000 1.287 77 F HN 0.289 nan 8.300 nan 0.000 0.446 78 L N 1.462 122.495 121.223 -0.316 0.000 2.866 78 L HA 0.626 4.972 4.340 0.009 0.000 0.262 78 L C -1.730 175.089 176.870 -0.085 0.000 0.986 78 L CA -0.778 54.103 54.840 0.069 0.000 0.925 78 L CB 1.653 43.875 42.059 0.273 0.000 1.484 78 L HN 0.504 nan 8.230 nan 0.000 0.414 79 S N 1.464 117.289 115.700 0.207 0.000 2.461 79 S HA 0.600 5.075 4.470 0.009 0.000 0.322 79 S C -1.694 172.949 174.600 0.072 0.000 1.063 79 S CA -1.286 56.915 58.200 0.001 0.000 1.120 79 S CB 0.930 64.055 63.200 -0.125 0.000 0.968 79 S HN 0.677 nan 8.310 nan 0.000 0.467 80 P HA -0.084 nan 4.420 nan 0.000 0.217 80 P C 1.692 179.116 177.300 0.206 0.000 1.151 80 P CA 0.364 63.561 63.100 0.161 0.000 0.828 80 P CB 0.060 31.878 31.700 0.197 0.000 0.788 81 L N 0.605 121.906 121.223 0.131 0.000 1.990 81 L HA -0.185 4.160 4.340 0.009 0.000 0.213 81 L C 2.711 179.714 176.870 0.222 0.000 1.072 81 L CA 2.293 57.236 54.840 0.171 0.000 0.755 81 L CB -1.731 40.380 42.059 0.086 0.000 0.889 81 L HN -0.036 nan 8.230 nan 0.000 0.432 82 S N -0.558 115.240 115.700 0.163 0.000 2.377 82 S HA -0.274 4.202 4.470 0.009 0.000 0.224 82 S C 2.038 176.766 174.600 0.213 0.000 1.042 82 S CA 2.167 60.479 58.200 0.187 0.000 1.086 82 S CB -0.586 62.753 63.200 0.231 0.000 0.995 82 S HN 0.465 nan 8.310 nan 0.000 0.428 83 I N 0.897 121.620 120.570 0.256 0.000 2.068 83 I HA -0.259 3.917 4.170 0.009 0.000 0.238 83 I C 2.761 179.034 176.117 0.260 0.000 1.046 83 I CA 1.704 63.172 61.300 0.280 0.000 1.306 83 I CB -0.917 37.183 38.000 0.168 0.000 1.023 83 I HN 0.307 nan 8.210 nan 0.000 0.399 84 S N 0.131 115.962 115.700 0.218 0.000 2.369 84 S HA -0.266 4.210 4.470 0.009 0.000 0.225 84 S C 2.017 176.732 174.600 0.193 0.000 1.043 84 S CA 2.360 60.688 58.200 0.214 0.000 1.074 84 S CB -0.516 62.924 63.200 0.401 0.000 0.962 84 S HN 0.505 nan 8.310 nan 0.000 0.433 85 T N 2.294 116.963 114.554 0.192 0.000 2.565 85 T HA -0.253 4.103 4.350 0.009 0.000 0.265 85 T C 2.016 176.468 174.700 -0.412 0.000 1.082 85 T CA 1.755 63.669 62.100 -0.311 0.000 1.173 85 T CB -0.866 67.914 68.868 -0.146 0.000 0.864 85 T HN 0.523 nan 8.240 nan 0.000 0.425 86 A N 0.625 123.312 122.820 -0.223 0.000 1.917 86 A HA -0.078 4.248 4.320 0.009 0.000 0.219 86 A C 2.048 179.345 177.584 -0.478 0.000 1.182 86 A CA 1.725 53.570 52.037 -0.319 0.000 0.633 86 A CB -1.095 17.770 19.000 -0.225 0.000 0.819 86 A HN 0.513 nan 8.150 nan 0.000 0.448 87 F N -0.149 119.562 119.950 -0.398 0.000 2.293 87 F HA 0.010 4.543 4.527 0.009 0.000 0.300 87 F C 2.661 178.178 175.800 -0.473 0.000 1.086 87 F CA 0.792 58.461 58.000 -0.553 0.000 1.375 87 F CB -0.253 38.096 39.000 -1.085 0.000 1.045 87 F HN 0.269 nan 8.300 nan 0.000 0.516 88 A N -0.103 122.549 122.820 -0.280 0.000 1.897 88 A HA -0.150 4.175 4.320 0.009 0.000 0.215 88 A C 2.252 179.648 177.584 -0.314 0.000 1.181 88 A CA 1.240 53.140 52.037 -0.229 0.000 0.620 88 A CB -0.648 18.150 19.000 -0.336 0.000 0.821 88 A HN 0.266 nan 8.150 nan 0.000 0.443 89 M N -0.535 118.671 119.600 -0.657 0.000 2.110 89 M HA -0.205 4.281 4.480 0.009 0.000 0.257 89 M C 2.311 178.460 176.300 -0.251 0.000 1.071 89 M CA 2.372 57.321 55.300 -0.585 0.000 1.096 89 M CB -1.137 31.099 32.600 -0.606 0.000 1.300 89 M HN 0.477 nan 8.290 nan 0.000 0.411 90 T N 0.209 114.599 114.554 -0.274 0.000 2.653 90 T HA -0.250 4.105 4.350 0.009 0.000 0.268 90 T C 1.719 176.360 174.700 -0.098 0.000 1.035 90 T CA 1.823 63.802 62.100 -0.202 0.000 1.154 90 T CB -0.392 68.276 68.868 -0.332 0.000 0.862 90 T HN 0.351 nan 8.240 nan 0.000 0.441 91 K N 0.595 120.963 120.400 -0.054 0.000 2.077 91 K HA -0.156 4.170 4.320 0.009 0.000 0.213 91 K C 2.216 178.857 176.600 0.068 0.000 1.051 91 K CA 1.379 57.698 56.287 0.053 0.000 0.929 91 K CB -0.522 32.062 32.500 0.141 0.000 0.715 91 K HN 0.323 nan 8.250 nan 0.000 0.451 92 L N -0.655 120.580 121.223 0.020 0.000 2.123 92 L HA -0.229 4.117 4.340 0.009 0.000 0.217 92 L C 1.856 178.742 176.870 0.027 0.000 1.081 92 L CA 1.543 56.352 54.840 -0.053 0.000 0.772 92 L CB -0.511 41.526 42.059 -0.036 0.000 0.890 92 L HN 0.364 nan 8.230 nan 0.000 0.437 93 G N -1.141 107.649 108.800 -0.017 0.000 3.959 93 G HA2 0.544 4.509 3.960 0.009 0.000 0.298 93 G HA3 0.544 4.509 3.960 0.009 0.000 0.298 93 G C 0.005 174.842 174.900 -0.105 0.000 1.211 93 G CA 0.309 45.326 45.100 -0.138 0.000 1.001 93 G HN 0.302 nan 8.290 nan 0.000 0.561 94 A N -0.743 122.051 122.820 -0.043 0.000 2.294 94 A HA 0.808 5.134 4.320 0.009 0.000 0.330 94 A C -0.641 176.939 177.584 -0.007 0.000 1.133 94 A CA -0.527 51.492 52.037 -0.030 0.000 0.836 94 A CB 1.564 20.559 19.000 -0.009 0.000 1.190 94 A HN 0.360 nan 8.150 nan 0.000 0.492 95 c N 0.317 118.913 118.600 -0.007 0.000 3.090 95 c HA 0.616 5.192 4.570 0.009 0.000 0.305 95 c C 0.843 174.936 174.090 0.005 0.000 1.292 95 c CA -0.079 56.255 56.329 0.008 0.000 1.482 95 c CB 1.205 43.718 42.510 0.005 0.000 1.897 95 c HN 1.231 nan 8.230 nan 0.000 0.469 96 N N 1.345 120.058 118.700 0.021 0.000 2.057 96 N HA -0.257 4.489 4.740 0.009 0.000 0.158 96 N C 0.142 175.638 175.510 -0.022 0.000 0.489 96 N CA 2.140 55.202 53.050 0.020 0.000 1.377 96 N CB -0.738 37.765 38.487 0.027 0.000 1.348 96 N HN 0.839 nan 8.380 nan 0.000 0.413 97 D N -1.002 119.390 120.400 -0.013 0.000 2.355 97 D HA 0.197 4.843 4.640 0.009 0.000 0.218 97 D C 1.212 177.498 176.300 -0.024 0.000 1.004 97 D CA 0.966 54.953 54.000 -0.022 0.000 0.880 97 D CB -0.009 40.792 40.800 0.003 0.000 0.911 97 D HN 0.481 nan 8.370 nan 0.000 0.528 98 T N -0.226 114.315 114.554 -0.022 0.000 3.004 98 T HA 0.028 4.383 4.350 0.009 0.000 0.243 98 T C 1.707 176.394 174.700 -0.022 0.000 1.020 98 T CA -0.008 62.082 62.100 -0.017 0.000 1.145 98 T CB 0.052 68.908 68.868 -0.019 0.000 0.876 98 T HN 0.032 nan 8.240 nan 0.000 0.449 99 L N 1.487 122.690 121.223 -0.033 0.000 2.083 99 L HA 0.003 4.348 4.340 0.009 0.000 0.209 99 L C 2.517 179.312 176.870 -0.126 0.000 1.083 99 L CA 1.811 56.632 54.840 -0.031 0.000 0.752 99 L CB -0.567 41.494 42.059 0.004 0.000 0.899 99 L HN 0.227 nan 8.230 nan 0.000 0.433 100 Q N -0.918 118.711 119.800 -0.285 0.000 1.993 100 Q HA -0.266 4.079 4.340 0.009 0.000 0.202 100 Q C 2.195 178.054 176.000 -0.234 0.000 0.984 100 Q CA 2.180 57.642 55.803 -0.568 0.000 0.837 100 Q CB -0.215 28.178 28.738 -0.576 0.000 0.902 100 Q HN 0.659 nan 8.270 nan 0.000 0.423 101 Q N 0.283 120.020 119.800 -0.105 0.000 2.062 101 Q HA -0.231 4.115 4.340 0.009 0.000 0.209 101 Q C 2.345 178.388 176.000 0.072 0.000 0.996 101 Q CA 1.933 57.733 55.803 -0.005 0.000 0.859 101 Q CB -0.384 28.366 28.738 0.021 0.000 0.920 101 Q HN 0.429 nan 8.270 nan 0.000 0.415 102 L N 0.012 121.300 121.223 0.107 0.000 2.010 102 L HA -0.287 4.059 4.340 0.009 0.000 0.219 102 L C 2.630 179.677 176.870 0.294 0.000 1.077 102 L CA 1.202 56.176 54.840 0.222 0.000 0.773 102 L CB -0.616 41.538 42.059 0.159 0.000 0.892 102 L HN 0.389 nan 8.230 nan 0.000 0.436 103 M N -0.832 118.902 119.600 0.222 0.000 2.117 103 M HA -0.180 4.306 4.480 0.009 0.000 0.262 103 M C 2.074 178.473 176.300 0.165 0.000 1.065 103 M CA 1.695 57.168 55.300 0.288 0.000 1.114 103 M CB -0.989 31.744 32.600 0.222 0.000 1.361 103 M HN 0.305 nan 8.290 nan 0.000 0.408 104 E N 0.219 120.471 120.200 0.086 0.000 2.001 104 E HA -0.145 4.211 4.350 0.009 0.000 0.195 104 E C 2.142 178.746 176.600 0.007 0.000 1.002 104 E CA 1.347 57.778 56.400 0.051 0.000 0.819 104 E CB -0.217 29.501 29.700 0.031 0.000 0.769 104 E HN 0.167 nan 8.360 nan 0.000 0.454 105 V N 0.717 120.628 119.914 -0.005 0.000 2.278 105 V HA -0.262 3.864 4.120 0.009 0.000 0.251 105 V C 1.606 177.513 176.094 -0.312 0.000 1.062 105 V CA 1.719 63.948 62.300 -0.118 0.000 1.038 105 V CB -0.486 31.258 31.823 -0.131 0.000 0.646 105 V HN 0.229 nan 8.190 nan 0.000 0.447 106 F N 0.737 120.507 119.950 -0.301 0.000 2.696 106 F HA 0.259 4.792 4.527 0.009 0.000 0.296 106 F C 1.100 176.439 175.800 -0.768 0.000 1.181 106 F CA -0.517 57.068 58.000 -0.691 0.000 1.411 106 F CB -0.563 37.794 39.000 -1.071 0.000 1.014 106 F HN 0.069 nan 8.300 nan 0.000 0.512 107 K N -0.345 119.904 120.400 -0.251 0.000 3.264 107 K HA -0.262 4.063 4.320 0.009 0.000 0.267 107 K C 0.121 176.670 176.600 -0.085 0.000 0.886 107 K CA 0.564 56.775 56.287 -0.126 0.000 0.665 107 K CB -2.415 30.046 32.500 -0.065 0.000 1.447 107 K HN 0.330 nan 8.250 nan 0.000 0.464 108 F N 0.747 120.769 119.950 0.121 0.000 2.754 108 F HA 0.000 4.533 4.527 0.009 0.000 0.297 108 F C 1.749 177.619 175.800 0.117 0.000 1.122 108 F CA 0.344 58.408 58.000 0.107 0.000 1.400 108 F CB -0.028 39.031 39.000 0.099 0.000 1.117 108 F HN 0.183 nan 8.300 nan 0.000 0.587 109 D N -1.580 118.980 120.400 0.266 0.000 2.344 109 D HA 0.005 4.650 4.640 0.009 0.000 0.242 109 D C 1.189 177.581 176.300 0.153 0.000 1.159 109 D CA 0.497 54.630 54.000 0.221 0.000 0.859 109 D CB -0.455 40.477 40.800 0.219 0.000 0.925 109 D HN 0.094 nan 8.370 nan 0.000 0.510 110 T N -0.360 114.275 114.554 0.135 0.000 2.987 110 T HA 0.239 4.595 4.350 0.009 0.000 0.248 110 T C 0.952 175.710 174.700 0.097 0.000 0.997 110 T CA -0.323 61.831 62.100 0.089 0.000 1.013 110 T CB 0.540 69.439 68.868 0.051 0.000 1.077 110 T HN 0.073 nan 8.240 nan 0.000 0.483 111 I N 2.606 123.259 120.570 0.139 0.000 2.710 111 I HA 0.220 4.396 4.170 0.009 0.000 0.286 111 I C 1.006 177.206 176.117 0.138 0.000 1.181 111 I CA 0.006 61.392 61.300 0.143 0.000 1.430 111 I CB 0.406 38.542 38.000 0.226 0.000 1.367 111 I HN 0.186 nan 8.210 nan 0.000 0.577 112 S N 5.840 121.604 115.700 0.106 0.000 3.072 112 S HA 0.456 4.931 4.470 0.009 0.000 0.306 112 S C 0.094 174.766 174.600 0.120 0.000 1.207 112 S CA -0.045 58.212 58.200 0.095 0.000 1.008 112 S CB -0.111 63.130 63.200 0.067 0.000 1.390 112 S HN 0.636 nan 8.310 nan 0.000 0.523 113 E N 0.607 120.893 120.200 0.144 0.000 2.388 113 E HA 0.578 4.934 4.350 0.009 0.000 0.282 113 E C 0.343 177.015 176.600 0.119 0.000 1.026 113 E CA -0.056 56.442 56.400 0.164 0.000 0.820 113 E CB 0.722 30.594 29.700 0.288 0.000 1.226 113 E HN 0.182 nan 8.360 nan 0.000 0.432 114 K N 0.865 121.316 120.400 0.086 0.000 2.314 114 K HA 0.185 4.510 4.320 0.009 0.000 0.198 114 K C 0.622 177.243 176.600 0.036 0.000 1.045 114 K CA 1.578 57.891 56.287 0.044 0.000 0.988 114 K CB -0.146 32.368 32.500 0.023 0.000 0.783 114 K HN 0.521 nan 8.250 nan 0.000 0.484 115 T N -0.766 113.824 114.554 0.060 0.000 2.859 115 T HA 0.321 4.677 4.350 0.009 0.000 0.281 115 T C 1.014 175.762 174.700 0.081 0.000 1.005 115 T CA -0.063 62.072 62.100 0.058 0.000 1.025 115 T CB 1.832 70.725 68.868 0.042 0.000 0.977 115 T HN 0.239 nan 8.240 nan 0.000 0.458 116 S N 0.674 116.444 115.700 0.118 0.000 2.561 116 S HA -0.111 4.364 4.470 0.009 0.000 0.225 116 S C 1.278 175.932 174.600 0.090 0.000 0.977 116 S CA 0.719 59.000 58.200 0.135 0.000 0.926 116 S CB -0.443 62.896 63.200 0.232 0.000 0.769 116 S HN 0.840 nan 8.310 nan 0.000 0.533 117 D N -0.054 120.406 120.400 0.100 0.000 2.339 117 D HA -0.021 4.625 4.640 0.009 0.000 0.217 117 D C 1.407 177.740 176.300 0.055 0.000 1.050 117 D CA 0.047 54.146 54.000 0.166 0.000 0.856 117 D CB -0.150 40.711 40.800 0.102 0.000 0.922 117 D HN 0.413 nan 8.370 nan 0.000 0.518 118 Q N 0.375 120.113 119.800 -0.102 0.000 2.302 118 Q HA 0.024 4.370 4.340 0.009 0.000 0.202 118 Q C 2.369 177.909 176.000 -0.766 0.000 0.936 118 Q CA 0.025 55.624 55.803 -0.341 0.000 0.886 118 Q CB 0.284 28.921 28.738 -0.169 0.000 0.986 118 Q HN 0.329 nan 8.270 nan 0.000 0.487 119 I N 1.318 121.595 120.570 -0.488 0.000 2.074 119 I HA -0.326 3.850 4.170 0.009 0.000 0.238 119 I C 2.139 177.953 176.117 -0.504 0.000 1.037 119 I CA 1.970 62.958 61.300 -0.521 0.000 1.301 119 I CB -1.987 35.565 38.000 -0.747 0.000 1.016 119 I HN 0.294 nan 8.210 nan 0.000 0.400 120 H N -0.211 118.745 119.070 -0.191 0.000 2.426 120 H HA -0.216 4.346 4.556 0.009 0.000 0.298 120 H C 1.969 177.199 175.328 -0.164 0.000 1.107 120 H CA 1.627 57.605 56.048 -0.116 0.000 1.298 120 H CB -0.845 28.865 29.762 -0.087 0.000 1.377 120 H HN 0.350 nan 8.280 nan 0.000 0.519 121 F N 1.061 120.844 119.950 -0.279 0.000 2.186 121 F HA -0.116 4.416 4.527 0.009 0.000 0.299 121 F C 1.397 177.181 175.800 -0.027 0.000 1.090 121 F CA 0.834 58.711 58.000 -0.206 0.000 1.307 121 F CB -0.271 38.591 39.000 -0.230 0.000 1.019 121 F HN 0.006 nan 8.300 nan 0.000 0.489 122 F N -0.879 119.011 119.950 -0.100 0.000 2.163 122 F HA -0.050 4.482 4.527 0.009 0.000 0.297 122 F C 2.270 178.019 175.800 -0.085 0.000 1.094 122 F CA 0.402 58.308 58.000 -0.156 0.000 1.290 122 F CB -1.964 37.016 39.000 -0.033 0.000 1.017 122 F HN -0.040 nan 8.300 nan 0.000 0.483 123 F N 1.301 121.261 119.950 0.017 0.000 2.065 123 F HA -0.208 4.324 4.527 0.010 0.000 0.298 123 F C 2.504 178.297 175.800 -0.011 0.000 1.112 123 F CA 1.068 59.092 58.000 0.041 0.000 1.212 123 F CB -1.068 37.995 39.000 0.105 0.000 0.975 123 F HN -0.021 nan 8.300 nan 0.000 0.476 124 A N -0.020 122.849 122.820 0.082 0.000 1.892 124 A HA -0.300 4.025 4.320 0.009 0.000 0.218 124 A C 2.383 179.935 177.584 -0.053 0.000 1.188 124 A CA 3.280 55.267 52.037 -0.082 0.000 0.631 124 A CB -1.485 17.366 19.000 -0.249 0.000 0.822 124 A HN 0.406 nan 8.150 nan 0.000 0.447 125 K N -0.678 119.627 120.400 -0.158 0.000 2.057 125 K HA 0.038 4.364 4.320 0.009 0.000 0.206 125 K C 2.013 178.588 176.600 -0.041 0.000 1.050 125 K CA 1.666 57.865 56.287 -0.146 0.000 0.935 125 K CB -1.252 31.090 32.500 -0.263 0.000 0.715 125 K HN 0.524 nan 8.250 nan 0.000 0.439 126 L N 2.135 123.360 121.223 0.003 0.000 1.990 126 L HA -0.240 4.106 4.340 0.009 0.000 0.213 126 L C 1.861 178.731 176.870 0.001 0.000 1.072 126 L CA 2.335 57.177 54.840 0.002 0.000 0.755 126 L CB -0.729 41.320 42.059 -0.017 0.000 0.889 126 L HN 0.490 nan 8.230 nan 0.000 0.432 127 N N -0.539 118.241 118.700 0.133 0.000 2.094 127 N HA -0.232 4.514 4.740 0.009 0.000 0.191 127 N C 1.926 177.483 175.510 0.078 0.000 1.023 127 N CA 1.902 55.056 53.050 0.174 0.000 0.857 127 N CB -1.106 37.634 38.487 0.422 0.000 1.013 127 N HN 0.484 nan 8.380 nan 0.000 0.426 128 c N 0.954 119.590 118.600 0.060 0.000 2.413 128 c HA -0.080 4.496 4.570 0.009 0.000 0.277 128 c C 2.783 176.872 174.090 -0.003 0.000 1.228 128 c CA 0.490 56.843 56.329 0.041 0.000 1.731 128 c CB -0.976 41.539 42.510 0.008 0.000 2.042 128 c HN 0.440 nan 8.230 nan 0.000 0.468 129 R N 0.744 121.223 120.500 -0.036 0.000 2.080 129 R HA -0.097 4.249 4.340 0.009 0.000 0.236 129 R C 2.044 178.285 176.300 -0.098 0.000 1.137 129 R CA 1.442 57.515 56.100 -0.045 0.000 0.943 129 R CB -0.716 29.564 30.300 -0.033 0.000 0.846 129 R HN 0.523 nan 8.270 nan 0.000 0.431 130 L N -1.074 120.006 121.223 -0.240 0.000 1.956 130 L HA -0.219 4.126 4.340 0.009 0.000 0.216 130 L C 1.753 178.406 176.870 -0.362 0.000 1.073 130 L CA 1.512 56.090 54.840 -0.437 0.000 0.762 130 L CB -0.541 40.993 42.059 -0.874 0.000 0.889 130 L HN 0.261 nan 8.230 nan 0.000 0.433 131 Y N -0.916 119.437 120.300 0.089 0.000 2.466 131 Y HA 0.266 4.821 4.550 0.009 0.000 0.272 131 Y C 1.590 177.532 175.900 0.071 0.000 1.169 131 Y CA 0.079 58.232 58.100 0.088 0.000 1.285 131 Y CB -0.389 38.127 38.460 0.093 0.000 1.078 131 Y HN 0.089 nan 8.280 nan 0.000 0.523 132 R N 1.009 121.586 120.500 0.129 0.000 2.681 132 R HA 0.446 4.792 4.340 0.009 0.000 0.277 132 R C -0.463 175.877 176.300 0.066 0.000 1.563 132 R CA -0.717 55.443 56.100 0.100 0.000 1.673 132 R CB -0.492 29.860 30.300 0.087 0.000 1.258 132 R HN 0.177 nan 8.270 nan 0.000 0.650 133 K N -0.200 120.242 120.400 0.070 0.000 2.185 133 K HA 0.716 5.041 4.320 0.009 0.000 0.240 133 K C 1.062 177.696 176.600 0.056 0.000 0.983 133 K CA 0.055 56.376 56.287 0.056 0.000 0.873 133 K CB 2.082 34.616 32.500 0.057 0.000 1.118 133 K HN 0.300 nan 8.250 nan 0.000 0.441 134 A N 1.390 124.239 122.820 0.048 0.000 1.935 134 A HA -0.017 4.309 4.320 0.009 0.000 0.214 134 A C 0.522 178.135 177.584 0.049 0.000 1.178 134 A CA 0.751 52.815 52.037 0.045 0.000 0.640 134 A CB -0.192 18.831 19.000 0.038 0.000 0.825 134 A HN 0.645 nan 8.150 nan 0.000 0.447 135 N N 1.268 120.000 118.700 0.055 0.000 2.399 135 N HA 0.042 4.788 4.740 0.009 0.000 0.284 135 N C -0.169 175.383 175.510 0.071 0.000 1.283 135 N CA 0.465 53.553 53.050 0.062 0.000 0.972 135 N CB 0.366 38.895 38.487 0.069 0.000 1.328 135 N HN 0.367 nan 8.380 nan 0.000 0.486 136 K N 1.698 122.136 120.400 0.064 0.000 3.127 136 K HA 0.184 4.510 4.320 0.009 0.000 0.236 136 K C 1.405 178.043 176.600 0.063 0.000 1.271 136 K CA -0.176 56.150 56.287 0.065 0.000 1.224 136 K CB -0.225 32.307 32.500 0.054 0.000 1.482 136 K HN 0.521 nan 8.250 nan 0.000 0.435 137 S N 0.292 116.039 115.700 0.078 0.000 2.335 137 S HA -0.092 4.383 4.470 0.009 0.000 0.216 137 S C 0.958 175.599 174.600 0.068 0.000 1.032 137 S CA 1.521 59.773 58.200 0.086 0.000 1.000 137 S CB -0.149 nan 63.200 nan 0.000 0.928 137 S HN 0.430 nan 8.310 nan 0.000 0.434 138 S N 0.261 116.009 115.700 0.080 0.000 2.549 138 S HA 0.580 5.055 4.470 0.009 0.000 0.297 138 S C -0.687 173.933 174.600 0.033 0.000 1.115 138 S CA -0.854 57.348 58.200 0.003 0.000 1.059 138 S CB 1.702 64.914 63.200 0.021 0.000 1.046 138 S HN 0.459 nan 8.310 nan 0.000 0.506 139 K N 1.630 122.006 120.400 -0.040 0.000 2.316 139 K HA 0.369 4.694 4.320 0.009 0.000 0.289 139 K C -1.468 175.237 176.600 0.175 0.000 1.070 139 K CA -0.577 55.749 56.287 0.065 0.000 0.928 139 K CB 0.170 32.713 32.500 0.072 0.000 1.039 139 K HN 0.605 nan 8.250 nan 0.000 0.480 140 L N 6.764 128.151 121.223 0.273 0.000 2.415 140 L HA 0.338 4.683 4.340 0.009 0.000 0.268 140 L C -1.231 175.892 176.870 0.422 0.000 0.984 140 L CA -0.647 54.433 54.840 0.400 0.000 0.853 140 L CB 1.503 43.808 42.059 0.410 0.000 1.215 140 L HN 0.439 nan 8.230 nan 0.000 0.419 141 V N 1.241 121.358 119.914 0.338 0.000 3.046 141 V HA 0.981 5.106 4.120 0.009 0.000 0.316 141 V C -0.431 175.568 176.094 -0.159 0.000 1.104 141 V CA -0.514 61.867 62.300 0.134 0.000 1.006 141 V CB 1.831 33.702 31.823 0.080 0.000 1.058 141 V HN 0.758 nan 8.190 nan 0.000 0.440 142 S N 0.678 116.099 115.700 -0.464 0.000 2.541 142 S HA 0.883 5.358 4.470 0.009 0.000 0.271 142 S C -0.887 173.556 174.600 -0.263 0.000 1.133 142 S CA 0.107 57.994 58.200 -0.522 0.000 0.876 142 S CB 1.654 64.152 63.200 -1.170 0.000 1.105 142 S HN 2.230 nan 8.310 nan 0.000 0.470 143 A N 3.854 126.602 122.820 -0.120 0.000 2.402 143 A HA 0.713 5.038 4.320 0.009 0.000 0.291 143 A C -1.052 176.665 177.584 0.222 0.000 1.051 143 A CA -0.825 51.234 52.037 0.037 0.000 0.716 143 A CB 0.924 19.913 19.000 -0.019 0.000 1.223 143 A HN 0.734 nan 8.150 nan 0.000 0.425 144 N N 1.338 120.145 118.700 0.178 0.000 2.443 144 N HA 0.750 5.496 4.740 0.009 0.000 0.293 144 N C -0.415 175.089 175.510 -0.010 0.000 1.159 144 N CA -0.464 52.653 53.050 0.111 0.000 0.904 144 N CB 2.157 40.633 38.487 -0.019 0.000 1.214 144 N HN 0.790 nan 8.380 nan 0.000 0.513 145 R N 0.857 121.214 120.500 -0.238 0.000 2.579 145 R HA 0.315 4.661 4.340 0.009 0.000 0.260 145 R C -1.769 174.145 176.300 -0.643 0.000 1.103 145 R CA -0.524 55.184 56.100 -0.654 0.000 0.942 145 R CB 0.840 30.299 30.300 -1.402 0.000 1.251 145 R HN 0.463 nan 8.270 nan 0.000 0.450 146 L N 4.389 125.229 121.223 -0.638 0.000 2.292 146 L HA 0.514 4.860 4.340 0.009 0.000 0.284 146 L C -0.774 175.699 176.870 -0.662 0.000 1.065 146 L CA -0.521 54.031 54.840 -0.480 0.000 0.806 146 L CB 0.970 42.790 42.059 -0.397 0.000 1.175 146 L HN 0.530 nan 8.230 nan 0.000 0.431 147 F N 1.452 121.278 119.950 -0.207 0.000 2.359 147 F HA 0.482 5.014 4.527 0.009 0.000 0.370 147 F C 0.843 176.653 175.800 0.016 0.000 1.077 147 F CA -0.586 57.327 58.000 -0.146 0.000 1.136 147 F CB 1.379 40.353 39.000 -0.042 0.000 1.387 147 F HN 0.444 nan 8.300 nan 0.000 0.468 148 G N 1.025 109.800 108.800 -0.043 0.000 2.410 148 G HA2 0.303 4.268 3.960 0.009 0.000 0.330 148 G HA3 0.303 4.268 3.960 0.009 0.000 0.330 148 G C -1.032 174.006 174.900 0.231 0.000 1.142 148 G CA -0.561 44.588 45.100 0.081 0.000 0.902 148 G HN 0.408 nan 8.290 nan 0.000 0.491 149 D N -0.444 120.262 120.400 0.510 0.000 2.478 149 D HA -0.026 4.620 4.640 0.009 0.000 0.234 149 D C 1.467 177.876 176.300 0.182 0.000 1.154 149 D CA 0.248 54.404 54.000 0.259 0.000 0.874 149 D CB 1.022 42.017 40.800 0.325 0.000 1.198 149 D HN 0.364 nan 8.370 nan 0.000 0.455 150 K N 0.854 121.274 120.400 0.034 0.000 2.155 150 K HA -0.108 4.218 4.320 0.009 0.000 0.203 150 K C 1.911 178.530 176.600 0.032 0.000 1.052 150 K CA 1.334 57.633 56.287 0.020 0.000 0.948 150 K CB -0.001 32.478 32.500 -0.034 0.000 0.728 150 K HN 0.454 nan 8.250 nan 0.000 0.448 151 S N 0.241 115.955 115.700 0.023 0.000 2.406 151 S HA 0.012 4.488 4.470 0.009 0.000 0.228 151 S C 0.911 175.492 174.600 -0.032 0.000 1.020 151 S CA 0.080 58.280 58.200 -0.001 0.000 0.965 151 S CB -0.533 62.666 63.200 -0.001 0.000 0.798 151 S HN 0.165 nan 8.310 nan 0.000 0.488 152 L N 1.093 122.275 121.223 -0.067 0.000 2.468 152 L HA 0.465 4.811 4.340 0.009 0.000 0.254 152 L C 0.001 176.720 176.870 -0.252 0.000 1.171 152 L CA -0.568 54.139 54.840 -0.222 0.000 0.809 152 L CB 0.205 42.009 42.059 -0.425 0.000 1.155 152 L HN 0.003 nan 8.230 nan 0.000 0.473 153 T N 0.442 114.791 114.554 -0.342 0.000 2.807 153 T HA 0.570 4.925 4.350 0.009 0.000 0.279 153 T C -0.724 173.779 174.700 -0.329 0.000 0.993 153 T CA -0.254 61.726 62.100 -0.200 0.000 0.970 153 T CB 0.758 69.568 68.868 -0.096 0.000 0.950 153 T HN 0.128 nan 8.240 nan 0.000 0.441 154 F N 2.001 121.967 119.950 0.027 0.000 2.422 154 F HA 0.401 4.934 4.527 0.009 0.000 0.333 154 F C 1.068 176.912 175.800 0.072 0.000 1.095 154 F CA -1.147 56.890 58.000 0.061 0.000 1.038 154 F CB 0.799 39.873 39.000 0.124 0.000 1.156 154 F HN 0.447 nan 8.300 nan 0.000 0.483 155 N N 1.950 120.785 118.700 0.224 0.000 2.219 155 N HA -0.136 4.609 4.740 0.009 0.000 0.263 155 N C 1.182 176.804 175.510 0.187 0.000 1.269 155 N CA 0.482 53.626 53.050 0.157 0.000 0.831 155 N CB 0.451 39.018 38.487 0.134 0.000 1.059 155 N HN 0.781 nan 8.380 nan 0.000 0.475 156 E N 1.320 121.580 120.200 0.101 0.000 2.107 156 E HA -0.172 4.184 4.350 0.009 0.000 0.191 156 E C 1.221 177.845 176.600 0.040 0.000 0.982 156 E CA 1.430 57.868 56.400 0.063 0.000 0.809 156 E CB 0.140 29.860 29.700 0.033 0.000 0.756 156 E HN 0.862 nan 8.360 nan 0.000 0.459 157 T N -0.919 113.664 114.554 0.049 0.000 2.737 157 T HA -0.227 4.128 4.350 0.009 0.000 0.265 157 T C 1.851 176.572 174.700 0.036 0.000 1.038 157 T CA 1.215 63.331 62.100 0.027 0.000 1.144 157 T CB -0.955 67.926 68.868 0.022 0.000 0.866 157 T HN 0.280 nan 8.240 nan 0.000 0.434 158 Y N 2.276 122.558 120.300 -0.030 0.000 1.977 158 Y HA -0.329 4.227 4.550 0.009 0.000 0.264 158 Y C 2.788 178.654 175.900 -0.056 0.000 1.167 158 Y CA 2.094 60.169 58.100 -0.041 0.000 1.102 158 Y CB -1.117 37.337 38.460 -0.010 0.000 0.948 158 Y HN 0.299 nan 8.280 nan 0.000 0.489 159 Q N -0.052 119.600 119.800 -0.247 0.000 2.012 159 Q HA -0.304 4.042 4.340 0.009 0.000 0.211 159 Q C 2.032 177.859 176.000 -0.289 0.000 1.009 159 Q CA 2.484 58.081 55.803 -0.342 0.000 0.866 159 Q CB -0.383 28.287 28.738 -0.113 0.000 0.945 159 Q HN 0.622 nan 8.270 nan 0.000 0.414 160 D N -0.047 120.256 120.400 -0.162 0.000 2.126 160 D HA -0.220 4.425 4.640 0.009 0.000 0.190 160 D C 1.962 178.171 176.300 -0.152 0.000 1.001 160 D CA 1.643 55.564 54.000 -0.131 0.000 0.841 160 D CB -0.426 40.327 40.800 -0.079 0.000 0.949 160 D HN 0.379 nan 8.370 nan 0.000 0.446 161 I N 1.050 121.524 120.570 -0.158 0.000 2.163 161 I HA -0.280 3.896 4.170 0.009 0.000 0.243 161 I C 2.593 178.596 176.117 -0.190 0.000 1.085 161 I CA 0.811 62.014 61.300 -0.160 0.000 1.347 161 I CB -0.311 37.602 38.000 -0.145 0.000 1.044 161 I HN -0.092 nan 8.210 nan 0.000 0.408 162 S N 0.250 115.780 115.700 -0.284 0.000 2.389 162 S HA -0.357 4.118 4.470 0.009 0.000 0.229 162 S C 1.992 176.493 174.600 -0.165 0.000 1.048 162 S CA 2.316 60.356 58.200 -0.268 0.000 1.117 162 S CB -0.475 62.392 63.200 -0.555 0.000 1.020 162 S HN 0.538 nan 8.310 nan 0.000 0.430 163 E N 0.179 120.261 120.200 -0.197 0.000 2.106 163 E HA -0.145 4.210 4.350 0.009 0.000 0.192 163 E C 2.143 178.676 176.600 -0.110 0.000 0.984 163 E CA 0.904 57.218 56.400 -0.143 0.000 0.806 163 E CB -0.170 29.441 29.700 -0.148 0.000 0.750 163 E HN 0.358 nan 8.360 nan 0.000 0.458 164 L N 0.163 121.315 121.223 -0.118 0.000 2.027 164 L HA -0.124 4.222 4.340 0.009 0.000 0.206 164 L C 2.187 178.980 176.870 -0.129 0.000 1.074 164 L CA 1.298 56.078 54.840 -0.100 0.000 0.745 164 L CB -0.168 41.839 42.059 -0.085 0.000 0.898 164 L HN 0.055 nan 8.230 nan 0.000 0.433 165 V N -1.721 118.066 119.914 -0.212 0.000 2.379 165 V HA -0.177 3.948 4.120 0.009 0.000 0.243 165 V C 1.718 177.480 176.094 -0.552 0.000 1.035 165 V CA 1.482 63.535 62.300 -0.411 0.000 1.035 165 V CB -0.484 30.993 31.823 -0.578 0.000 0.673 165 V HN 0.424 nan 8.190 nan 0.000 0.457 166 Y N -0.132 120.107 120.300 -0.102 0.000 2.462 166 Y HA 0.505 5.061 4.550 0.009 0.000 0.253 166 Y C 1.891 177.740 175.900 -0.085 0.000 1.095 166 Y CA 0.395 58.431 58.100 -0.107 0.000 1.283 166 Y CB 0.457 38.813 38.460 -0.172 0.000 1.138 166 Y HN 0.280 nan 8.280 nan 0.000 0.522 167 G N 0.427 109.232 108.800 0.008 0.000 2.141 167 G HA2 -0.191 3.775 3.960 0.009 0.000 0.231 167 G HA3 -0.191 3.775 3.960 0.009 0.000 0.231 167 G C 0.255 175.124 174.900 -0.052 0.000 0.984 167 G CA -0.084 45.006 45.100 -0.017 0.000 0.660 167 G HN 0.582 nan 8.290 nan 0.000 0.525 168 A N 0.806 123.578 122.820 -0.080 0.000 2.671 168 A HA 0.583 4.909 4.320 0.009 0.000 0.306 168 A C 0.860 178.291 177.584 -0.255 0.000 1.473 168 A CA 0.255 52.185 52.037 -0.178 0.000 1.155 168 A CB 0.044 18.928 19.000 -0.192 0.000 1.123 168 A HN 0.423 nan 8.150 nan 0.000 0.545 169 K N 0.984 121.223 120.400 -0.268 0.000 2.276 169 K HA 0.283 4.608 4.320 0.009 0.000 0.259 169 K C -0.520 175.831 176.600 -0.415 0.000 1.001 169 K CA -0.046 56.065 56.287 -0.293 0.000 0.927 169 K CB 0.773 33.121 32.500 -0.253 0.000 0.969 169 K HN 0.662 nan 8.250 nan 0.000 0.490 170 L N 2.741 123.744 121.223 -0.368 0.000 2.280 170 L HA 0.186 4.532 4.340 0.009 0.000 0.287 170 L C -0.604 176.040 176.870 -0.377 0.000 1.023 170 L CA -0.283 54.306 54.840 -0.419 0.000 0.819 170 L CB 1.105 42.940 42.059 -0.374 0.000 1.212 170 L HN 0.571 nan 8.230 nan 0.000 0.420 171 Q N 6.938 126.454 119.800 -0.473 0.000 2.307 171 Q HA 0.458 4.804 4.340 0.009 0.000 0.262 171 Q C -2.455 173.424 176.000 -0.202 0.000 0.961 171 Q CA -1.981 53.621 55.803 -0.335 0.000 0.882 171 Q CB 1.908 30.400 28.738 -0.409 0.000 1.264 171 Q HN 0.320 nan 8.270 nan 0.000 0.446 172 P HA 0.187 nan 4.420 nan 0.000 0.280 172 P C -1.042 176.174 177.300 -0.140 0.000 1.300 172 P CA 0.212 63.252 63.100 -0.100 0.000 0.785 172 P CB 0.485 32.154 31.700 -0.052 0.000 0.874 173 L N 2.308 123.373 121.223 -0.263 0.000 2.319 173 L HA 0.442 4.788 4.340 0.009 0.000 0.267 173 L C 0.703 177.316 176.870 -0.428 0.000 1.011 173 L CA -0.828 53.785 54.840 -0.379 0.000 0.818 173 L CB 1.665 43.372 42.059 -0.587 0.000 1.316 173 L HN 0.162 nan 8.230 nan 0.000 0.432 174 D N 0.680 120.905 120.400 -0.293 0.000 2.619 174 D HA 0.121 4.766 4.640 0.009 0.000 0.224 174 D C 0.787 177.020 176.300 -0.111 0.000 1.133 174 D CA -0.034 53.869 54.000 -0.162 0.000 1.017 174 D CB 0.212 40.968 40.800 -0.072 0.000 1.077 174 D HN 0.222 nan 8.370 nan 0.000 0.503 175 F N 1.403 121.372 119.950 0.032 0.000 2.075 175 F HA -0.100 4.432 4.527 0.009 0.000 0.297 175 F C 2.405 178.217 175.800 0.020 0.000 1.113 175 F CA 0.871 58.886 58.000 0.024 0.000 1.218 175 F CB -0.410 38.610 39.000 0.033 0.000 0.984 175 F HN 0.198 nan 8.300 nan 0.000 0.472 176 K N -0.416 120.097 120.400 0.189 0.000 2.044 176 K HA -0.251 4.075 4.320 0.009 0.000 0.210 176 K C 1.987 178.632 176.600 0.075 0.000 1.049 176 K CA 2.094 58.448 56.287 0.112 0.000 0.927 176 K CB -0.155 32.391 32.500 0.077 0.000 0.713 176 K HN 0.189 nan 8.250 nan 0.000 0.443 177 E N 0.138 120.371 120.200 0.055 0.000 2.101 177 E HA 0.030 4.386 4.350 0.009 0.000 0.194 177 E C 0.024 176.645 176.600 0.035 0.000 0.950 177 E CA 0.393 56.814 56.400 0.036 0.000 0.917 177 E CB 0.231 29.942 29.700 0.018 0.000 0.963 177 E HN -0.038 nan 8.360 nan 0.000 0.476 178 N N 0.504 119.218 118.700 0.024 0.000 3.034 178 N HA 0.265 5.011 4.740 0.009 0.000 0.265 178 N C -0.243 175.291 175.510 0.040 0.000 1.166 178 N CA 0.336 53.398 53.050 0.020 0.000 1.081 178 N CB 0.847 39.334 38.487 -0.001 0.000 1.378 178 N HN 0.274 nan 8.380 nan 0.000 0.520 179 A N 1.845 124.707 122.820 0.070 0.000 1.843 179 A HA -0.028 4.297 4.320 0.009 0.000 0.213 179 A C 1.892 179.536 177.584 0.099 0.000 1.202 179 A CA 1.595 53.705 52.037 0.122 0.000 0.607 179 A CB -0.832 18.234 19.000 0.110 0.000 0.847 179 A HN 0.512 nan 8.150 nan 0.000 0.445 180 E N -1.263 118.969 120.200 0.053 0.000 2.515 180 E HA 0.100 4.456 4.350 0.009 0.000 0.201 180 E C 1.790 178.399 176.600 0.016 0.000 1.071 180 E CA 1.639 58.056 56.400 0.029 0.000 0.880 180 E CB -1.281 28.429 29.700 0.016 0.000 0.828 180 E HN 0.914 nan 8.360 nan 0.000 0.540 181 Q N -0.797 119.012 119.800 0.016 0.000 2.396 181 Q HA 0.300 4.646 4.340 0.009 0.000 0.209 181 Q C 2.306 178.299 176.000 -0.011 0.000 0.906 181 Q CA 1.023 56.826 55.803 -0.001 0.000 0.927 181 Q CB -0.138 28.597 28.738 -0.005 0.000 1.069 181 Q HN 0.511 nan 8.270 nan 0.000 0.523 182 S N -0.525 115.179 115.700 0.006 0.000 2.470 182 S HA 0.067 4.543 4.470 0.009 0.000 0.222 182 S C 2.002 176.608 174.600 0.011 0.000 1.024 182 S CA 0.109 58.298 58.200 -0.018 0.000 0.931 182 S CB -0.010 63.164 63.200 -0.043 0.000 0.791 182 S HN 0.604 nan 8.310 nan 0.000 0.513 183 R N 1.481 122.012 120.500 0.052 0.000 2.083 183 R HA -0.047 4.299 4.340 0.009 0.000 0.237 183 R C 2.127 178.400 176.300 -0.046 0.000 1.137 183 R CA 1.506 57.608 56.100 0.002 0.000 0.951 183 R CB -0.490 29.812 30.300 0.003 0.000 0.851 183 R HN 0.376 nan 8.270 nan 0.000 0.434 184 A N -0.189 122.611 122.820 -0.033 0.000 2.168 184 A HA 0.034 4.359 4.320 0.009 0.000 0.215 184 A C 1.935 179.496 177.584 -0.039 0.000 1.152 184 A CA 1.370 53.385 52.037 -0.035 0.000 0.716 184 A CB -0.167 18.819 19.000 -0.022 0.000 0.794 184 A HN 0.474 nan 8.150 nan 0.000 0.465 185 A N -0.649 122.135 122.820 -0.059 0.000 2.063 185 A HA 0.309 4.635 4.320 0.009 0.000 0.211 185 A C 1.873 179.397 177.584 -0.100 0.000 1.177 185 A CA 0.592 52.599 52.037 -0.049 0.000 0.759 185 A CB -0.226 18.742 19.000 -0.053 0.000 0.857 185 A HN 0.410 nan 8.150 nan 0.000 0.468 186 I N 0.106 120.519 120.570 -0.262 0.000 2.277 186 I HA -0.170 4.005 4.170 0.009 0.000 0.243 186 I C 2.057 178.116 176.117 -0.095 0.000 1.094 186 I CA 0.760 61.773 61.300 -0.478 0.000 1.393 186 I CB -0.377 37.233 38.000 -0.650 0.000 1.078 186 I HN 0.212 nan 8.210 nan 0.000 0.417 187 N N 1.348 120.005 118.700 -0.071 0.000 2.036 187 N HA -0.262 4.484 4.740 0.009 0.000 0.195 187 N C 1.827 177.340 175.510 0.005 0.000 1.037 187 N CA 1.507 54.543 53.050 -0.023 0.000 0.855 187 N CB -0.426 38.035 38.487 -0.042 0.000 1.033 187 N HN 0.218 nan 8.380 nan 0.000 0.423 188 K N 0.055 120.462 120.400 0.011 0.000 2.147 188 K HA -0.138 4.188 4.320 0.009 0.000 0.205 188 K C 1.927 178.563 176.600 0.059 0.000 1.049 188 K CA 0.844 57.143 56.287 0.019 0.000 0.936 188 K CB -0.464 32.045 32.500 0.015 0.000 0.722 188 K HN 0.285 nan 8.250 nan 0.000 0.446 189 W N 0.093 121.373 121.300 -0.033 0.000 2.381 189 W HA -0.161 4.504 4.660 0.009 0.000 0.301 189 W C 1.519 178.052 176.519 0.024 0.000 1.205 189 W CA 1.665 59.030 57.345 0.033 0.000 1.285 189 W CB -0.283 29.276 29.460 0.165 0.000 1.133 189 W HN -0.106 nan 8.180 nan 0.000 0.521 190 V N 0.164 120.139 119.914 0.102 0.000 2.261 190 V HA -0.361 3.765 4.120 0.009 0.000 0.246 190 V C 2.498 178.479 176.094 -0.189 0.000 1.047 190 V CA 2.193 64.451 62.300 -0.071 0.000 1.015 190 V CB -1.758 30.097 31.823 0.053 0.000 0.642 190 V HN 0.343 nan 8.190 nan 0.000 0.446 191 S N 0.753 116.382 115.700 -0.118 0.000 2.380 191 S HA -0.387 4.088 4.470 0.009 0.000 0.229 191 S C 2.151 176.634 174.600 -0.194 0.000 1.050 191 S CA 2.477 60.597 58.200 -0.133 0.000 1.100 191 S CB -0.845 62.301 63.200 -0.091 0.000 0.984 191 S HN 0.728 nan 8.310 nan 0.000 0.434 192 N N 0.820 119.385 118.700 -0.225 0.000 2.094 192 N HA -0.152 4.593 4.740 0.009 0.000 0.191 192 N C 1.420 176.718 175.510 -0.353 0.000 1.023 192 N CA 1.454 54.344 53.050 -0.266 0.000 0.857 192 N CB -0.295 38.049 38.487 -0.238 0.000 1.013 192 N HN 0.421 nan 8.380 nan 0.000 0.426 193 K N -0.065 120.042 120.400 -0.489 0.000 2.439 193 K HA -0.011 4.315 4.320 0.009 0.000 0.197 193 K C 1.013 177.416 176.600 -0.328 0.000 1.041 193 K CA 0.952 56.952 56.287 -0.479 0.000 0.970 193 K CB -0.056 32.008 32.500 -0.726 0.000 0.773 193 K HN 0.441 nan 8.250 nan 0.000 0.479 194 T N -0.802 113.600 114.554 -0.254 0.000 3.308 194 T HA 0.137 4.493 4.350 0.009 0.000 0.270 194 T C -0.203 174.386 174.700 -0.185 0.000 0.992 194 T CA -0.490 61.546 62.100 -0.108 0.000 0.931 194 T CB 0.032 68.898 68.868 -0.003 0.000 1.142 194 T HN 0.026 nan 8.240 nan 0.000 0.525 195 E N 1.122 121.100 120.200 -0.370 0.000 2.165 195 E HA -0.291 4.064 4.350 0.009 0.000 0.203 195 E C 1.332 177.812 176.600 -0.201 0.000 1.335 195 E CA 1.027 57.237 56.400 -0.316 0.000 0.708 195 E CB -2.012 27.441 29.700 -0.413 0.000 1.105 195 E HN 1.164 nan 8.360 nan 0.000 0.346 196 G N -0.035 108.654 108.800 -0.185 0.000 2.245 196 G HA2 -0.442 3.523 3.960 0.009 0.000 0.264 196 G HA3 -0.442 3.523 3.960 0.009 0.000 0.264 196 G C 1.128 175.891 174.900 -0.229 0.000 0.985 196 G CA 0.727 45.724 45.100 -0.173 0.000 0.625 196 G HN 0.321 nan 8.290 nan 0.000 0.536 197 R N 0.095 120.410 120.500 -0.308 0.000 2.057 197 R HA 0.179 4.525 4.340 0.009 0.000 0.229 197 R C 1.472 177.594 176.300 -0.297 0.000 1.136 197 R CA 0.939 56.698 56.100 -0.568 0.000 0.952 197 R CB -0.548 29.180 30.300 -0.953 0.000 0.848 197 R HN 0.458 nan 8.270 nan 0.000 0.430 198 I N 1.954 122.439 120.570 -0.140 0.000 2.308 198 I HA 0.090 4.265 4.170 0.009 0.000 0.293 198 I C 0.940 177.020 176.117 -0.061 0.000 1.078 198 I CA 0.372 61.642 61.300 -0.051 0.000 1.292 198 I CB 0.982 38.977 38.000 -0.008 0.000 1.423 198 I HN 0.046 nan 8.210 nan 0.000 0.493 199 T N 3.362 117.889 114.554 -0.046 0.000 3.056 199 T HA 0.004 4.360 4.350 0.009 0.000 0.241 199 T C 0.779 175.457 174.700 -0.037 0.000 1.006 199 T CA 0.433 62.505 62.100 -0.047 0.000 1.115 199 T CB 0.309 69.148 68.868 -0.049 0.000 0.939 199 T HN 0.669 nan 8.240 nan 0.000 0.462 200 D N 2.299 122.681 120.400 -0.030 0.000 3.035 200 D HA 0.186 4.831 4.640 0.009 0.000 0.290 200 D C 1.381 177.644 176.300 -0.061 0.000 1.360 200 D CA -0.131 53.842 54.000 -0.046 0.000 0.862 200 D CB -0.378 40.397 40.800 -0.042 0.000 1.078 200 D HN 0.171 nan 8.370 nan 0.000 0.487 201 V N 0.354 120.242 119.914 -0.044 0.000 2.220 201 V HA -0.245 3.881 4.120 0.009 0.000 0.250 201 V C 1.523 177.560 176.094 -0.094 0.000 1.056 201 V CA 1.214 63.493 62.300 -0.035 0.000 1.016 201 V CB -0.723 31.104 31.823 0.007 0.000 0.639 201 V HN 0.389 nan 8.190 nan 0.000 0.446 202 I N 3.469 123.971 120.570 -0.113 0.000 2.363 202 I HA 0.227 4.402 4.170 0.009 0.000 0.292 202 I C -2.062 173.868 176.117 -0.311 0.000 1.075 202 I CA -1.798 59.365 61.300 -0.229 0.000 1.333 202 I CB 0.457 38.399 38.000 -0.097 0.000 1.415 202 I HN 0.193 nan 8.210 nan 0.000 0.502 203 P HA 0.055 nan 4.420 nan 0.000 0.270 203 P C -0.033 177.120 177.300 -0.245 0.000 1.223 203 P CA -0.234 62.629 63.100 -0.394 0.000 0.785 203 P CB 0.491 31.867 31.700 -0.540 0.000 0.923 204 S N 0.157 115.771 115.700 -0.144 0.000 2.537 204 S HA 0.371 4.847 4.470 0.009 0.000 0.286 204 S C 0.991 175.553 174.600 -0.063 0.000 1.299 204 S CA 0.629 58.780 58.200 -0.083 0.000 1.067 204 S CB -1.110 62.060 63.200 -0.051 0.000 0.864 204 S HN 0.734 nan 8.310 nan 0.000 0.494 205 E N -0.743 119.434 120.200 -0.038 0.000 2.596 205 E HA 0.050 4.406 4.350 0.009 0.000 0.272 205 E C 0.722 177.325 176.600 0.004 0.000 1.039 205 E CA 1.641 58.035 56.400 -0.010 0.000 0.804 205 E CB -2.340 27.360 29.700 0.001 0.000 1.373 205 E HN 2.299 nan 8.360 nan 0.000 0.404 206 A N -0.802 122.015 122.820 -0.005 0.000 2.127 206 A HA 0.635 4.961 4.320 0.009 0.000 0.204 206 A C 1.120 178.724 177.584 0.033 0.000 1.243 206 A CA 0.748 52.818 52.037 0.055 0.000 0.887 206 A CB 0.509 19.566 19.000 0.094 0.000 0.933 206 A HN 0.879 nan 8.150 nan 0.000 0.479 207 I N 2.799 123.363 120.570 -0.011 0.000 2.304 207 I HA 0.204 4.380 4.170 0.009 0.000 0.291 207 I C -0.211 175.895 176.117 -0.018 0.000 1.018 207 I CA -0.629 60.633 61.300 -0.064 0.000 1.260 207 I CB 0.920 38.886 38.000 -0.057 0.000 1.390 207 I HN 0.500 nan 8.210 nan 0.000 0.475 208 N N 4.702 123.384 118.700 -0.030 0.000 3.061 208 N HA 0.243 4.988 4.740 0.009 0.000 0.346 208 N C 0.406 175.942 175.510 0.044 0.000 1.392 208 N CA -0.638 52.422 53.050 0.017 0.000 0.762 208 N CB 0.329 38.831 38.487 0.024 0.000 1.367 208 N HN 0.379 nan 8.380 nan 0.000 0.607 209 E N -0.623 119.608 120.200 0.053 0.000 2.208 209 E HA 0.041 4.396 4.350 0.009 0.000 0.193 209 E C 1.215 177.857 176.600 0.070 0.000 0.988 209 E CA 0.803 57.245 56.400 0.069 0.000 0.828 209 E CB -0.251 29.481 29.700 0.053 0.000 0.763 209 E HN 0.456 nan 8.360 nan 0.000 0.478 210 L N 0.678 121.928 121.223 0.046 0.000 2.558 210 L HA 0.098 4.443 4.340 0.009 0.000 0.225 210 L C 0.769 177.640 176.870 0.001 0.000 1.128 210 L CA 0.018 54.882 54.840 0.040 0.000 0.868 210 L CB -0.499 41.592 42.059 0.053 0.000 1.006 210 L HN -0.159 nan 8.230 nan 0.000 0.454 211 T N 0.946 115.465 114.554 -0.058 0.000 2.792 211 T HA 0.049 4.405 4.350 0.009 0.000 0.286 211 T C 1.387 176.016 174.700 -0.119 0.000 0.970 211 T CA -0.029 61.924 62.100 -0.244 0.000 1.187 211 T CB 1.801 70.318 68.868 -0.585 0.000 0.915 211 T HN -0.060 nan 8.240 nan 0.000 0.529 212 V N 3.735 123.606 119.914 -0.071 0.000 2.374 212 V HA 0.235 4.360 4.120 0.009 0.000 0.241 212 V C 0.437 176.704 176.094 0.288 0.000 1.034 212 V CA 0.710 63.092 62.300 0.137 0.000 1.037 212 V CB -0.133 31.735 31.823 0.076 0.000 0.682 212 V HN 0.623 nan 8.190 nan 0.000 0.463 213 L N -0.707 120.555 121.223 0.066 0.000 2.472 213 L HA 0.661 5.007 4.340 0.009 0.000 0.260 213 L C -1.323 175.516 176.870 -0.051 0.000 0.963 213 L CA -0.382 54.532 54.840 0.122 0.000 0.829 213 L CB 2.296 44.419 42.059 0.105 0.000 1.348 213 L HN -0.119 nan 8.230 nan 0.000 0.408 214 V N 5.347 125.298 119.914 0.062 0.000 2.409 214 V HA 0.473 4.599 4.120 0.009 0.000 0.290 214 V C -0.579 175.558 176.094 0.071 0.000 1.017 214 V CA -0.441 61.877 62.300 0.029 0.000 0.841 214 V CB 1.465 33.336 31.823 0.080 0.000 1.003 214 V HN 0.568 nan 8.190 nan 0.000 0.426 215 L N 5.867 127.061 121.223 -0.047 0.000 2.276 215 L HA 0.637 4.982 4.340 0.009 0.000 0.286 215 L C -0.201 176.633 176.870 -0.060 0.000 1.061 215 L CA -0.051 54.732 54.840 -0.094 0.000 0.807 215 L CB 1.578 43.518 42.059 -0.199 0.000 1.177 215 L HN 0.366 nan 8.230 nan 0.000 0.429 216 V N 2.788 122.697 119.914 -0.009 0.000 2.577 216 V HA 0.491 4.616 4.120 0.009 0.000 0.303 216 V C -0.393 175.752 176.094 0.084 0.000 1.042 216 V CA -0.696 61.662 62.300 0.096 0.000 0.872 216 V CB 2.002 34.005 31.823 0.300 0.000 0.998 216 V HN 0.785 nan 8.190 nan 0.000 0.423 217 N N 2.182 120.924 118.700 0.071 0.000 2.483 217 N HA 0.666 5.412 4.740 0.009 0.000 0.285 217 N C -0.913 174.668 175.510 0.118 0.000 1.210 217 N CA -0.179 52.913 53.050 0.071 0.000 0.931 217 N CB 2.266 40.758 38.487 0.009 0.000 1.220 217 N HN 0.643 nan 8.380 nan 0.000 0.542 218 T N 1.147 115.748 114.554 0.078 0.000 3.295 218 T HA 0.497 4.852 4.350 0.009 0.000 0.331 218 T C -1.155 173.555 174.700 0.017 0.000 1.142 218 T CA -0.348 61.777 62.100 0.043 0.000 1.078 218 T CB 0.257 69.120 68.868 -0.008 0.000 1.150 218 T HN 0.353 nan 8.240 nan 0.000 0.465 219 I N 3.573 124.197 120.570 0.090 0.000 2.498 219 I HA 0.545 4.720 4.170 0.009 0.000 0.290 219 I C -1.336 174.987 176.117 0.344 0.000 1.032 219 I CA -0.983 60.410 61.300 0.154 0.000 1.073 219 I CB 2.036 40.116 38.000 0.133 0.000 1.251 219 I HN 0.596 nan 8.210 nan 0.000 0.426 220 Y N 6.873 127.302 120.300 0.216 0.000 2.425 220 Y HA 0.651 5.207 4.550 0.010 0.000 0.344 220 Y C -1.691 174.427 175.900 0.363 0.000 0.969 220 Y CA -1.013 57.233 58.100 0.243 0.000 1.052 220 Y CB 1.688 40.192 38.460 0.073 0.000 1.215 220 Y HN 0.458 nan 8.280 nan 0.000 0.451 221 F N 6.258 125.977 119.950 -0.385 0.000 2.565 221 F HA 0.664 5.196 4.527 0.009 0.000 0.313 221 F C -1.673 173.742 175.800 -0.643 0.000 1.091 221 F CA -0.873 56.948 58.000 -0.299 0.000 0.915 221 F CB 1.618 40.578 39.000 -0.067 0.000 1.208 221 F HN 0.479 nan 8.300 nan 0.000 0.453 222 K N 3.977 123.659 120.400 -1.197 0.000 2.588 222 K HA 0.657 4.983 4.320 0.009 0.000 0.250 222 K C -1.495 174.368 176.600 -1.229 0.000 0.972 222 K CA -0.612 55.031 56.287 -1.074 0.000 0.821 222 K CB 1.611 33.870 32.500 -0.402 0.000 1.249 222 K HN 0.964 nan 8.250 nan 0.000 0.442 223 G N 3.464 111.512 108.800 -1.253 0.000 2.533 223 G HA2 0.577 4.542 3.960 0.009 0.000 0.304 223 G HA3 0.577 4.542 3.960 0.009 0.000 0.304 223 G C -1.283 173.535 174.900 -0.136 0.000 1.263 223 G CA -0.856 43.873 45.100 -0.619 0.000 0.964 223 G HN 0.450 nan 8.290 nan 0.000 0.479 224 L N 0.654 121.910 121.223 0.054 0.000 2.309 224 L HA 0.376 4.722 4.340 0.009 0.000 0.282 224 L C -0.072 176.913 176.870 0.191 0.000 1.036 224 L CA -0.807 54.065 54.840 0.053 0.000 0.806 224 L CB 1.500 43.603 42.059 0.074 0.000 1.220 224 L HN 0.621 nan 8.230 nan 0.000 0.429 225 W N 2.899 124.296 121.300 0.161 0.000 2.253 225 W HA -0.078 4.590 4.660 0.013 0.000 0.348 225 W C 1.613 178.155 176.519 0.039 0.000 1.267 225 W CA -0.135 57.211 57.345 0.002 0.000 1.298 225 W CB 0.612 30.071 29.460 -0.000 0.000 1.181 225 W HN 0.611 nan 8.180 nan 0.000 0.585 226 K N 1.178 121.766 120.400 0.312 0.000 2.057 226 K HA -0.150 4.175 4.320 0.009 0.000 0.207 226 K C 0.775 177.436 176.600 0.100 0.000 1.049 226 K CA 1.524 57.916 56.287 0.175 0.000 0.931 226 K CB -0.108 32.466 32.500 0.124 0.000 0.714 226 K HN 0.328 nan 8.250 nan 0.000 0.440 227 S N -0.185 115.552 115.700 0.063 0.000 2.530 227 S HA 0.507 4.982 4.470 0.009 0.000 0.322 227 S C -0.397 174.181 174.600 -0.037 0.000 1.085 227 S CA -0.839 57.347 58.200 -0.024 0.000 1.096 227 S CB 1.556 64.663 63.200 -0.155 0.000 0.988 227 S HN 0.326 nan 8.310 nan 0.000 0.466 228 K N 2.461 122.887 120.400 0.045 0.000 2.234 228 K HA 0.441 4.766 4.320 0.009 0.000 0.251 228 K C -0.561 175.978 176.600 -0.102 0.000 1.011 228 K CA 0.114 56.470 56.287 0.115 0.000 0.889 228 K CB -0.234 32.363 32.500 0.161 0.000 1.011 228 K HN 0.679 nan 8.250 nan 0.000 0.505 229 F N 1.328 121.348 119.950 0.118 0.000 2.334 229 F HA 0.267 4.799 4.527 0.008 0.000 0.367 229 F C 0.648 176.509 175.800 0.102 0.000 1.115 229 F CA -0.351 57.688 58.000 0.065 0.000 1.116 229 F CB 1.403 40.441 39.000 0.063 0.000 1.230 229 F HN 0.441 nan 8.300 nan 0.000 0.484 230 S N 5.448 121.284 115.700 0.226 0.000 2.552 230 S HA 0.030 4.505 4.470 0.009 0.000 0.289 230 S C -1.526 173.191 174.600 0.194 0.000 1.304 230 S CA -0.756 57.552 58.200 0.179 0.000 1.063 230 S CB 0.655 63.936 63.200 0.135 0.000 0.848 230 S HN 0.413 nan 8.310 nan 0.000 0.499 231 P HA 0.001 nan 4.420 nan 0.000 0.231 231 P C 0.846 178.203 177.300 0.096 0.000 1.168 231 P CA 0.544 63.719 63.100 0.124 0.000 0.779 231 P CB 0.122 31.883 31.700 0.102 0.000 0.844 232 E N 0.305 120.557 120.200 0.087 0.000 2.118 232 E HA -0.149 4.206 4.350 0.009 0.000 0.195 232 E C 1.039 177.674 176.600 0.058 0.000 0.992 232 E CA 0.905 57.343 56.400 0.063 0.000 0.804 232 E CB -0.564 29.168 29.700 0.052 0.000 0.741 232 E HN 0.379 nan 8.360 nan 0.000 0.458 233 N N 0.661 119.416 118.700 0.092 0.000 2.398 233 N HA -0.014 4.731 4.740 0.009 0.000 0.188 233 N C 0.021 175.598 175.510 0.111 0.000 1.122 233 N CA 0.371 53.471 53.050 0.083 0.000 0.866 233 N CB 0.301 38.889 38.487 0.168 0.000 0.970 233 N HN -0.032 nan 8.380 nan 0.000 0.462 234 T N 1.589 116.207 114.554 0.107 0.000 2.884 234 T HA 0.288 4.643 4.350 0.009 0.000 0.298 234 T C 0.360 175.096 174.700 0.061 0.000 0.998 234 T CA 0.051 62.206 62.100 0.092 0.000 1.124 234 T CB 0.932 69.845 68.868 0.075 0.000 0.931 234 T HN -0.037 nan 8.240 nan 0.000 0.531 235 R N 2.015 122.550 120.500 0.058 0.000 2.575 235 R HA 0.319 4.664 4.340 0.009 0.000 0.293 235 R C -0.513 175.806 176.300 0.033 0.000 0.983 235 R CA -0.641 55.480 56.100 0.036 0.000 0.887 235 R CB 1.155 31.471 30.300 0.027 0.000 1.184 235 R HN 0.457 nan 8.270 nan 0.000 0.445 236 K N 3.144 123.560 120.400 0.027 0.000 2.383 236 K HA 0.082 4.407 4.320 0.009 0.000 0.286 236 K C -0.378 176.238 176.600 0.028 0.000 1.051 236 K CA 0.142 56.446 56.287 0.027 0.000 0.974 236 K CB 0.673 33.186 32.500 0.022 0.000 0.968 236 K HN 0.671 nan 8.250 nan 0.000 0.475 237 E N 2.839 123.062 120.200 0.038 0.000 2.317 237 E HA 0.344 4.700 4.350 0.009 0.000 0.270 237 E C -0.537 176.110 176.600 0.078 0.000 0.885 237 E CA -1.080 55.348 56.400 0.047 0.000 0.760 237 E CB 1.175 30.895 29.700 0.033 0.000 1.227 237 E HN 0.443 nan 8.360 nan 0.000 0.434 238 L N 0.945 122.221 121.223 0.088 0.000 2.395 238 L HA 0.627 4.973 4.340 0.009 0.000 0.269 238 L C -1.110 175.868 176.870 0.180 0.000 1.133 238 L CA -0.796 54.100 54.840 0.093 0.000 0.812 238 L CB 0.631 42.702 42.059 0.020 0.000 1.125 238 L HN 0.680 nan 8.230 nan 0.000 0.452 239 F N 3.002 122.937 119.950 -0.026 0.000 2.495 239 F HA 0.559 5.091 4.527 0.009 0.000 0.327 239 F C -1.211 174.564 175.800 -0.042 0.000 1.103 239 F CA -0.615 57.405 58.000 0.034 0.000 0.949 239 F CB 1.405 40.406 39.000 0.001 0.000 1.142 239 F HN 0.375 nan 8.300 nan 0.000 0.457 240 Y N 4.709 124.801 120.300 -0.347 0.000 2.335 240 Y HA 0.452 5.008 4.550 0.010 0.000 0.338 240 Y C -0.151 175.636 175.900 -0.188 0.000 0.977 240 Y CA -0.743 57.250 58.100 -0.178 0.000 1.114 240 Y CB 1.482 39.834 38.460 -0.180 0.000 1.182 240 Y HN 0.460 nan 8.280 nan 0.000 0.463 241 K N 1.163 121.635 120.400 0.121 0.000 2.090 241 K HA 0.597 4.922 4.320 0.009 0.000 0.249 241 K C 0.786 177.438 176.600 0.086 0.000 0.995 241 K CA -0.199 56.171 56.287 0.139 0.000 0.914 241 K CB 1.128 33.728 32.500 0.167 0.000 1.057 241 K HN 0.746 nan 8.250 nan 0.000 0.462 242 A N 1.333 124.195 122.820 0.070 0.000 1.972 242 A HA -0.195 4.130 4.320 0.009 0.000 0.219 242 A C 1.251 178.860 177.584 0.041 0.000 1.169 242 A CA 1.770 53.834 52.037 0.044 0.000 0.635 242 A CB -0.493 18.529 19.000 0.037 0.000 0.810 242 A HN 0.797 nan 8.150 nan 0.000 0.446 243 D N -0.600 119.827 120.400 0.045 0.000 2.117 243 D HA 0.092 4.738 4.640 0.009 0.000 0.197 243 D C 1.251 177.575 176.300 0.040 0.000 0.987 243 D CA 1.706 55.728 54.000 0.037 0.000 0.829 243 D CB -0.364 40.457 40.800 0.034 0.000 0.961 243 D HN 0.782 nan 8.370 nan 0.000 0.460 244 G N 0.893 109.726 108.800 0.054 0.000 2.743 244 G HA2 -0.036 3.930 3.960 0.009 0.000 0.192 244 G HA3 -0.036 3.930 3.960 0.009 0.000 0.192 244 G C -0.589 174.339 174.900 0.045 0.000 1.077 244 G CA -0.332 44.809 45.100 0.068 0.000 0.956 244 G HN 0.232 nan 8.290 nan 0.000 0.556 245 E N -0.378 119.837 120.200 0.024 0.000 2.429 245 E HA 0.794 5.149 4.350 0.009 0.000 0.276 245 E C -0.019 176.476 176.600 -0.175 0.000 0.953 245 E CA -0.344 56.028 56.400 -0.047 0.000 0.787 245 E CB 1.858 31.553 29.700 -0.009 0.000 1.307 245 E HN 0.673 nan 8.360 nan 0.000 0.458 246 S N 0.064 115.626 115.700 -0.229 0.000 2.566 246 S HA 0.827 5.303 4.470 0.009 0.000 0.298 246 S C -0.502 174.022 174.600 -0.126 0.000 1.083 246 S CA -0.709 57.286 58.200 -0.342 0.000 0.978 246 S CB 0.855 63.783 63.200 -0.452 0.000 1.073 246 S HN 0.789 nan 8.310 nan 0.000 0.491 247 c N -0.182 118.385 118.600 -0.054 0.000 3.086 247 c HA 0.852 5.427 4.570 0.009 0.000 0.311 247 c C 0.038 174.135 174.090 0.011 0.000 1.260 247 c CA -0.683 55.638 56.329 -0.013 0.000 1.426 247 c CB 0.858 43.361 42.510 -0.012 0.000 1.826 247 c HN 0.962 nan 8.230 nan 0.000 0.474 248 S N 1.746 117.446 115.700 0.000 0.000 2.681 248 S HA 0.572 5.047 4.470 0.009 0.000 0.313 248 S C 0.463 175.074 174.600 0.018 0.000 1.137 248 S CA 0.290 58.499 58.200 0.015 0.000 1.045 248 S CB -0.833 62.370 63.200 0.007 0.000 1.208 248 S HN 1.718 nan 8.310 nan 0.000 0.523 249 A N 4.190 127.036 122.820 0.044 0.000 2.371 249 A HA 0.541 4.866 4.320 0.009 0.000 0.257 249 A C 0.480 178.084 177.584 0.034 0.000 1.089 249 A CA -0.434 51.619 52.037 0.027 0.000 0.794 249 A CB 0.385 19.421 19.000 0.061 0.000 1.029 249 A HN 0.718 nan 8.150 nan 0.000 0.488 250 S N 2.962 118.681 115.700 0.031 0.000 2.512 250 S HA 0.297 4.773 4.470 0.009 0.000 0.291 250 S C -0.038 174.583 174.600 0.036 0.000 1.151 250 S CA -0.419 57.803 58.200 0.036 0.000 1.120 250 S CB -0.156 63.066 63.200 0.036 0.000 1.029 250 S HN 0.621 nan 8.310 nan 0.000 0.485 251 M N 3.732 123.355 119.600 0.038 0.000 2.228 251 M HA 0.325 4.811 4.480 0.009 0.000 0.351 251 M C 0.159 176.490 176.300 0.052 0.000 1.233 251 M CA 0.639 55.964 55.300 0.041 0.000 1.129 251 M CB 0.387 33.018 32.600 0.051 0.000 1.604 251 M HN 0.442 nan 8.290 nan 0.000 0.457 252 M N 2.377 121.972 119.600 -0.008 0.000 2.613 252 M HA 0.457 4.943 4.480 0.009 0.000 0.301 252 M C -0.922 175.488 176.300 0.184 0.000 1.205 252 M CA -0.709 54.576 55.300 -0.026 0.000 0.950 252 M CB 1.665 33.982 32.600 -0.471 0.000 1.585 252 M HN 0.572 nan 8.290 nan 0.000 0.490 253 Y N 0.968 121.375 120.300 0.178 0.000 2.534 253 Y HA 0.550 5.105 4.550 0.008 0.000 0.345 253 Y C -1.535 174.490 175.900 0.208 0.000 1.031 253 Y CA -0.558 57.620 58.100 0.130 0.000 1.022 253 Y CB 1.748 40.268 38.460 0.099 0.000 1.292 253 Y HN 0.753 nan 8.280 nan 0.000 0.459 254 Q N 2.895 122.225 119.800 -0.784 0.000 2.647 254 Q HA 0.435 4.780 4.340 0.009 0.000 0.283 254 Q C -2.229 173.312 176.000 -0.765 0.000 0.943 254 Q CA -1.100 54.301 55.803 -0.670 0.000 0.813 254 Q CB 2.218 30.679 28.738 -0.463 0.000 1.477 254 Q HN 0.769 nan 8.270 nan 0.000 0.393 255 E N 0.088 120.030 120.200 -0.429 0.000 2.234 255 E HA 0.755 5.110 4.350 0.009 0.000 0.266 255 E C -1.096 175.426 176.600 -0.130 0.000 0.877 255 E CA -0.542 55.700 56.400 -0.264 0.000 0.758 255 E CB 1.915 31.515 29.700 -0.166 0.000 1.170 255 E HN 0.877 nan 8.360 nan 0.000 0.415 256 G N 2.591 111.349 108.800 -0.070 0.000 2.428 256 G HA2 0.189 4.155 3.960 0.009 0.000 0.304 256 G HA3 0.189 4.155 3.960 0.009 0.000 0.304 256 G C -1.579 173.201 174.900 -0.200 0.000 1.303 256 G CA -0.915 44.083 45.100 -0.171 0.000 0.825 256 G HN 0.308 nan 8.290 nan 0.000 0.484 257 K N 0.237 120.408 120.400 -0.381 0.000 2.248 257 K HA 0.634 4.959 4.320 0.009 0.000 0.281 257 K C -1.632 174.641 176.600 -0.545 0.000 1.054 257 K CA -0.172 55.932 56.287 -0.304 0.000 0.903 257 K CB 1.482 33.854 32.500 -0.214 0.000 1.077 257 K HN 0.249 nan 8.250 nan 0.000 0.474 258 F N 0.748 120.648 119.950 -0.083 0.000 2.578 258 F HA 0.329 4.859 4.527 0.005 0.000 0.311 258 F C 0.476 176.283 175.800 0.012 0.000 1.094 258 F CA -0.962 57.000 58.000 -0.062 0.000 0.923 258 F CB 1.750 40.683 39.000 -0.112 0.000 1.230 258 F HN 0.239 nan 8.300 nan 0.000 0.450 259 R N 2.326 122.959 120.500 0.222 0.000 2.458 259 R HA 0.232 4.578 4.340 0.009 0.000 0.303 259 R C -1.467 174.972 176.300 0.232 0.000 1.013 259 R CA 0.228 56.432 56.100 0.174 0.000 1.026 259 R CB 0.318 30.695 30.300 0.128 0.000 0.948 259 R HN 0.646 nan 8.270 nan 0.000 0.417 260 Y N 1.577 121.903 120.300 0.044 0.000 2.581 260 Y HA 0.494 5.041 4.550 -0.004 0.000 0.337 260 Y C -1.471 174.424 175.900 -0.008 0.000 1.108 260 Y CA -1.262 56.843 58.100 0.010 0.000 1.033 260 Y CB 1.818 40.280 38.460 0.004 0.000 1.318 260 Y HN 0.507 nan 8.280 nan 0.000 0.459 261 R N 3.348 123.252 120.500 -0.995 0.000 2.560 261 R HA 0.370 4.716 4.340 0.009 0.000 0.267 261 R C -2.002 173.734 176.300 -0.941 0.000 1.150 261 R CA -0.646 54.973 56.100 -0.801 0.000 0.997 261 R CB 1.286 31.390 30.300 -0.327 0.000 1.250 261 R HN 0.767 nan 8.270 nan 0.000 0.433 262 R N 4.385 124.500 120.500 -0.641 0.000 2.220 262 R HA 0.334 4.680 4.340 0.009 0.000 0.340 262 R C -0.440 175.720 176.300 -0.233 0.000 1.076 262 R CA -0.136 55.758 56.100 -0.343 0.000 0.920 262 R CB 0.286 30.519 30.300 -0.111 0.000 1.062 262 R HN 0.461 nan 8.270 nan 0.000 0.469 263 V N 2.225 121.978 119.914 -0.269 0.000 3.553 263 V HA 0.457 4.583 4.120 0.009 0.000 0.287 263 V C 0.647 176.693 176.094 -0.080 0.000 1.111 263 V CA -1.115 61.078 62.300 -0.177 0.000 0.950 263 V CB 0.780 32.433 31.823 -0.283 0.000 1.243 263 V HN 0.790 nan 8.190 nan 0.000 0.443 264 A N -0.560 122.272 122.820 0.020 0.000 2.565 264 A HA 0.263 4.588 4.320 0.009 0.000 0.237 264 A C 0.896 178.496 177.584 0.027 0.000 1.053 264 A CA 0.952 53.019 52.037 0.050 0.000 0.755 264 A CB -0.894 18.174 19.000 0.113 0.000 0.980 264 A HN 1.140 nan 8.150 nan 0.000 0.506 265 E N -0.024 120.187 120.200 0.018 0.000 3.628 265 E HA -0.217 4.139 4.350 0.009 0.000 0.309 265 E C 0.832 177.426 176.600 -0.010 0.000 0.839 265 E CA 1.639 58.045 56.400 0.011 0.000 1.123 265 E CB -1.582 28.135 29.700 0.029 0.000 1.568 265 E HN 2.592 nan 8.360 nan 0.000 0.440 266 G N -0.284 108.498 108.800 -0.030 0.000 2.182 266 G HA2 -0.287 3.678 3.960 0.009 0.000 0.248 266 G HA3 -0.287 3.678 3.960 0.009 0.000 0.248 266 G C 0.072 174.933 174.900 -0.065 0.000 1.042 266 G CA 0.443 45.519 45.100 -0.039 0.000 0.775 266 G HN 0.262 nan 8.290 nan 0.000 0.501 267 T N 0.654 115.138 114.554 -0.117 0.000 2.837 267 T HA 0.575 4.931 4.350 0.009 0.000 0.285 267 T C 0.282 174.820 174.700 -0.271 0.000 0.984 267 T CA -0.175 61.817 62.100 -0.181 0.000 1.049 267 T CB 1.437 70.164 68.868 -0.235 0.000 0.947 267 T HN 0.441 nan 8.240 nan 0.000 0.472 268 Q N 1.429 121.098 119.800 -0.218 0.000 2.282 268 Q HA 0.650 4.996 4.340 0.009 0.000 0.260 268 Q C -1.084 174.751 176.000 -0.274 0.000 0.964 268 Q CA -0.877 54.783 55.803 -0.237 0.000 0.880 268 Q CB 2.077 30.826 28.738 0.020 0.000 1.286 268 Q HN 0.354 nan 8.270 nan 0.000 0.445 269 V N 3.596 123.288 119.914 -0.370 0.000 2.349 269 V HA 0.356 4.482 4.120 0.009 0.000 0.284 269 V C -1.023 175.020 176.094 -0.084 0.000 1.014 269 V CA -0.682 61.470 62.300 -0.247 0.000 0.826 269 V CB 1.117 32.748 31.823 -0.321 0.000 1.009 269 V HN 0.567 nan 8.190 nan 0.000 0.431 270 L N 4.050 125.300 121.223 0.045 0.000 2.334 270 L HA 0.756 5.101 4.340 0.009 0.000 0.276 270 L C -0.336 176.583 176.870 0.082 0.000 1.014 270 L CA -0.055 54.854 54.840 0.115 0.000 0.815 270 L CB 1.907 44.003 42.059 0.062 0.000 1.268 270 L HN 0.763 nan 8.230 nan 0.000 0.428 271 E N 4.740 125.004 120.200 0.107 0.000 2.191 271 E HA 0.452 4.807 4.350 0.009 0.000 0.263 271 E C -1.762 174.924 176.600 0.142 0.000 0.881 271 E CA -0.552 55.931 56.400 0.139 0.000 0.757 271 E CB 1.158 30.954 29.700 0.160 0.000 1.147 271 E HN 0.777 nan 8.360 nan 0.000 0.414 272 L N 7.266 128.547 121.223 0.098 0.000 2.335 272 L HA 0.433 4.779 4.340 0.009 0.000 0.268 272 L C -2.158 174.805 176.870 0.155 0.000 1.037 272 L CA -2.112 52.742 54.840 0.023 0.000 0.895 272 L CB 0.921 42.765 42.059 -0.358 0.000 1.266 272 L HN 0.411 nan 8.230 nan 0.000 0.439 273 P HA 0.158 nan 4.420 nan 0.000 0.275 273 P C -0.721 176.708 177.300 0.214 0.000 1.228 273 P CA -0.057 63.187 63.100 0.238 0.000 0.786 273 P CB 0.769 32.590 31.700 0.202 0.000 0.927 274 F N -0.089 120.085 119.950 0.373 0.000 2.380 274 F HA 0.418 4.952 4.527 0.011 0.000 0.321 274 F C 1.619 177.554 175.800 0.225 0.000 1.103 274 F CA -0.361 57.835 58.000 0.327 0.000 1.067 274 F CB 0.144 39.330 39.000 0.310 0.000 1.265 274 F HN 0.168 nan 8.300 nan 0.000 0.517 275 K N 0.975 121.598 120.400 0.371 0.000 2.367 275 K HA 0.409 4.734 4.320 0.009 0.000 0.275 275 K C 0.814 177.540 176.600 0.210 0.000 1.125 275 K CA 0.657 57.082 56.287 0.230 0.000 1.133 275 K CB -1.158 31.446 32.500 0.173 0.000 0.875 275 K HN 1.171 nan 8.250 nan 0.000 0.467 276 G N 0.552 109.457 108.800 0.176 0.000 2.905 276 G HA2 -0.142 3.824 3.960 0.009 0.000 0.196 276 G HA3 -0.142 3.824 3.960 0.009 0.000 0.196 276 G C 0.582 175.571 174.900 0.149 0.000 1.044 276 G CA 0.684 45.874 45.100 0.150 0.000 0.778 276 G HN 0.950 nan 8.290 nan 0.000 0.474 277 D N 0.488 121.003 120.400 0.192 0.000 2.603 277 D HA -0.168 4.477 4.640 0.009 0.000 0.180 277 D C 1.261 177.668 176.300 0.179 0.000 0.972 277 D CA 1.975 56.080 54.000 0.176 0.000 1.022 277 D CB -1.385 39.487 40.800 0.120 0.000 1.079 277 D HN 0.640 nan 8.370 nan 0.000 0.455 278 D N 0.822 121.328 120.400 0.177 0.000 2.137 278 D HA -0.036 4.610 4.640 0.009 0.000 0.202 278 D C 1.168 177.570 176.300 0.170 0.000 0.970 278 D CA 0.659 54.748 54.000 0.150 0.000 0.837 278 D CB 0.027 40.901 40.800 0.124 0.000 0.981 278 D HN 0.360 nan 8.370 nan 0.000 0.475 279 I N 0.746 121.456 120.570 0.233 0.000 2.404 279 I HA 0.312 4.488 4.170 0.009 0.000 0.293 279 I C -0.271 176.138 176.117 0.486 0.000 0.992 279 I CA -0.576 60.865 61.300 0.236 0.000 1.149 279 I CB 2.118 40.174 38.000 0.095 0.000 1.315 279 I HN -0.056 nan 8.210 nan 0.000 0.446 280 T N 3.262 118.088 114.554 0.452 0.000 2.893 280 T HA 0.583 4.939 4.350 0.009 0.000 0.291 280 T C -0.566 174.478 174.700 0.572 0.000 1.028 280 T CA -0.873 61.558 62.100 0.552 0.000 0.995 280 T CB 1.868 70.936 68.868 0.335 0.000 1.051 280 T HN 0.546 nan 8.240 nan 0.000 0.470 281 M N 3.205 123.179 119.600 0.623 0.000 2.180 281 M HA 0.588 5.074 4.480 0.009 0.000 0.358 281 M C -1.599 174.934 176.300 0.388 0.000 1.233 281 M CA -0.542 55.097 55.300 0.564 0.000 1.114 281 M CB 0.646 33.655 32.600 0.682 0.000 1.594 281 M HN 0.581 nan 8.290 nan 0.000 0.467 282 V N 7.010 127.158 119.914 0.391 0.000 2.407 282 V HA 0.419 4.545 4.120 0.009 0.000 0.291 282 V C -0.140 176.181 176.094 0.377 0.000 1.018 282 V CA -0.719 61.772 62.300 0.319 0.000 0.842 282 V CB 1.315 33.297 31.823 0.266 0.000 0.996 282 V HN 0.835 nan 8.190 nan 0.000 0.426 283 L N 5.312 126.699 121.223 0.274 0.000 2.375 283 L HA 0.663 5.009 4.340 0.009 0.000 0.268 283 L C -0.595 176.405 176.870 0.216 0.000 1.058 283 L CA -0.675 54.338 54.840 0.289 0.000 0.803 283 L CB 1.840 43.990 42.059 0.151 0.000 1.212 283 L HN 0.484 nan 8.230 nan 0.000 0.451 284 I N 2.971 123.680 120.570 0.233 0.000 2.563 284 I HA 0.272 4.448 4.170 0.009 0.000 0.285 284 I C -0.971 175.212 176.117 0.109 0.000 1.123 284 I CA -0.214 61.148 61.300 0.103 0.000 1.059 284 I CB 1.790 39.885 38.000 0.159 0.000 1.229 284 I HN 0.355 nan 8.210 nan 0.000 0.442 285 L N 6.309 127.541 121.223 0.014 0.000 2.365 285 L HA 0.834 5.179 4.340 0.009 0.000 0.273 285 L C -2.825 174.033 176.870 -0.021 0.000 1.000 285 L CA -1.887 52.973 54.840 0.034 0.000 0.819 285 L CB 1.808 43.879 42.059 0.019 0.000 1.284 285 L HN 0.167 nan 8.230 nan 0.000 0.418 286 P HA 0.276 nan 4.420 nan 0.000 0.282 286 P C -0.506 176.789 177.300 -0.008 0.000 1.259 286 P CA -0.412 62.683 63.100 -0.008 0.000 0.826 286 P CB 0.958 32.673 31.700 0.026 0.000 1.064 287 K N 2.902 123.293 120.400 -0.015 0.000 2.511 287 K HA 0.041 4.366 4.320 0.009 0.000 0.280 287 K C -1.770 174.827 176.600 -0.005 0.000 1.008 287 K CA -0.292 55.989 56.287 -0.011 0.000 1.050 287 K CB -2.186 30.308 32.500 -0.010 0.000 0.889 287 K HN 0.420 nan 8.250 nan 0.000 0.484 288 P HA -0.355 nan 4.420 nan 0.000 0.222 288 P C 1.810 179.103 177.300 -0.012 0.000 1.159 288 P CA 2.830 65.923 63.100 -0.013 0.000 0.920 288 P CB 0.100 31.788 31.700 -0.021 0.000 0.793 289 E N 0.977 121.169 120.200 -0.012 0.000 2.021 289 E HA -0.237 4.119 4.350 0.009 0.000 0.200 289 E C 1.226 177.824 176.600 -0.004 0.000 1.015 289 E CA 1.475 57.868 56.400 -0.011 0.000 0.824 289 E CB -1.275 28.419 29.700 -0.010 0.000 0.762 289 E HN 0.298 nan 8.360 nan 0.000 0.454 290 K N 0.535 120.936 120.400 0.002 0.000 2.339 290 K HA 0.096 4.421 4.320 0.009 0.000 0.260 290 K C 0.574 177.184 176.600 0.016 0.000 0.989 290 K CA 0.571 56.864 56.287 0.010 0.000 0.888 290 K CB 0.205 32.713 32.500 0.014 0.000 0.983 290 K HN 0.569 nan 8.250 nan 0.000 0.515 291 S N 0.861 116.575 115.700 0.023 0.000 2.768 291 S HA 0.207 4.683 4.470 0.009 0.000 0.300 291 S C 0.743 175.371 174.600 0.047 0.000 1.122 291 S CA -0.887 57.332 58.200 0.031 0.000 0.995 291 S CB 0.970 64.185 63.200 0.025 0.000 1.195 291 S HN 0.543 nan 8.310 nan 0.000 0.547 292 L N 1.032 122.290 121.223 0.058 0.000 2.162 292 L HA 0.324 4.669 4.340 0.009 0.000 0.205 292 L C 2.696 179.615 176.870 0.082 0.000 1.086 292 L CA 1.838 56.726 54.840 0.081 0.000 0.778 292 L CB -1.832 40.282 42.059 0.091 0.000 0.928 292 L HN 0.961 nan 8.230 nan 0.000 0.446 293 A N 0.300 123.154 122.820 0.057 0.000 1.893 293 A HA -0.431 3.895 4.320 0.009 0.000 0.222 293 A C 2.585 180.198 177.584 0.049 0.000 1.309 293 A CA 3.718 55.780 52.037 0.042 0.000 0.681 293 A CB -1.391 17.619 19.000 0.018 0.000 0.842 293 A HN 0.425 nan 8.150 nan 0.000 0.468 294 K N -1.163 119.267 120.400 0.049 0.000 2.015 294 K HA -0.152 4.173 4.320 0.009 0.000 0.216 294 K C 2.136 178.787 176.600 0.085 0.000 1.052 294 K CA 2.442 58.762 56.287 0.055 0.000 0.937 294 K CB -1.802 nan 32.500 nan 0.000 0.719 294 K HN 0.648 nan 8.250 nan 0.000 0.446 295 V N 1.351 121.338 119.914 0.123 0.000 2.295 295 V HA -0.281 3.845 4.120 0.009 0.000 0.246 295 V C 2.480 178.682 176.094 0.180 0.000 1.049 295 V CA 2.356 64.771 62.300 0.192 0.000 1.024 295 V CB -0.695 31.265 31.823 0.229 0.000 0.648 295 V HN 0.675 nan 8.190 nan 0.000 0.447 296 E N 0.582 120.880 120.200 0.162 0.000 2.085 296 E HA -0.235 4.120 4.350 0.009 0.000 0.194 296 E C 2.508 179.177 176.600 0.115 0.000 0.994 296 E CA 1.859 58.370 56.400 0.186 0.000 0.801 296 E CB -0.288 29.539 29.700 0.213 0.000 0.743 296 E HN 0.687 nan 8.360 nan 0.000 0.453 297 K N 0.649 121.084 120.400 0.058 0.000 2.209 297 K HA -0.086 4.239 4.320 0.009 0.000 0.204 297 K C 1.842 178.444 176.600 0.003 0.000 1.048 297 K CA 1.829 58.122 56.287 0.009 0.000 0.940 297 K CB -1.023 31.472 32.500 -0.008 0.000 0.729 297 K HN 0.374 nan 8.250 nan 0.000 0.451 298 E N -0.316 119.899 120.200 0.024 0.000 2.498 298 E HA 0.421 4.777 4.350 0.009 0.000 0.203 298 E C 0.655 177.236 176.600 -0.032 0.000 1.013 298 E CA -0.045 56.352 56.400 -0.005 0.000 0.927 298 E CB -0.140 29.565 29.700 0.008 0.000 1.012 298 E HN 0.429 nan 8.360 nan 0.000 0.482 299 L N 3.217 124.444 121.223 0.007 0.000 2.615 299 L HA 0.351 4.696 4.340 0.009 0.000 0.271 299 L C 0.419 177.253 176.870 -0.059 0.000 1.183 299 L CA 1.014 55.845 54.840 -0.015 0.000 0.933 299 L CB 0.140 42.252 42.059 0.088 0.000 1.199 299 L HN 0.331 nan 8.230 nan 0.000 0.487 300 T N 2.116 116.588 114.554 -0.136 0.000 2.865 300 T HA 0.583 4.938 4.350 0.009 0.000 0.294 300 T C -2.222 172.378 174.700 -0.166 0.000 1.119 300 T CA -1.524 60.501 62.100 -0.125 0.000 1.007 300 T CB 1.619 70.411 68.868 -0.126 0.000 1.225 300 T HN 0.242 nan 8.240 nan 0.000 0.515 301 P HA -0.034 nan 4.420 nan 0.000 0.215 301 P C 1.113 178.314 177.300 -0.165 0.000 1.153 301 P CA 1.159 64.174 63.100 -0.143 0.000 0.853 301 P CB 0.083 31.712 31.700 -0.118 0.000 0.788 302 E N -0.532 119.575 120.200 -0.155 0.000 2.023 302 E HA -0.138 4.217 4.350 0.009 0.000 0.196 302 E C 2.098 178.550 176.600 -0.245 0.000 1.003 302 E CA 1.080 57.387 56.400 -0.154 0.000 0.809 302 E CB -1.560 28.065 29.700 -0.125 0.000 0.755 302 E HN -0.071 nan 8.360 nan 0.000 0.449 303 V N 1.074 120.789 119.914 -0.331 0.000 2.231 303 V HA -0.338 3.787 4.120 0.009 0.000 0.250 303 V C 2.355 177.974 176.094 -0.792 0.000 1.058 303 V CA 2.104 64.045 62.300 -0.599 0.000 1.022 303 V CB -0.711 30.742 31.823 -0.617 0.000 0.640 303 V HN 0.251 nan 8.190 nan 0.000 0.445 304 L N -0.588 120.290 121.223 -0.574 0.000 2.051 304 L HA -0.293 4.052 4.340 0.009 0.000 0.214 304 L C 2.625 179.368 176.870 -0.213 0.000 1.076 304 L CA 2.129 56.736 54.840 -0.388 0.000 0.758 304 L CB -0.546 41.309 42.059 -0.340 0.000 0.890 304 L HN 0.389 nan 8.230 nan 0.000 0.433 305 Q N -0.055 119.637 119.800 -0.180 0.000 2.230 305 Q HA -0.191 4.155 4.340 0.009 0.000 0.202 305 Q C 1.911 177.879 176.000 -0.054 0.000 0.963 305 Q CA 1.356 57.112 55.803 -0.077 0.000 0.866 305 Q CB 0.051 28.763 28.738 -0.044 0.000 0.931 305 Q HN 0.450 nan 8.270 nan 0.000 0.452 306 E N -0.876 119.244 120.200 -0.134 0.000 2.005 306 E HA -0.215 4.141 4.350 0.009 0.000 0.198 306 E C 1.271 177.906 176.600 0.058 0.000 1.010 306 E CA 1.614 57.961 56.400 -0.088 0.000 0.825 306 E CB -0.263 29.305 29.700 -0.220 0.000 0.769 306 E HN 0.447 nan 8.360 nan 0.000 0.456 307 W N 0.910 122.183 121.300 -0.045 0.000 2.290 307 W HA -0.267 4.402 4.660 0.014 0.000 0.328 307 W C 2.378 178.869 176.519 -0.047 0.000 1.272 307 W CA 0.920 58.232 57.345 -0.054 0.000 1.262 307 W CB -1.470 27.951 29.460 -0.066 0.000 1.151 307 W HN 0.267 nan 8.180 nan 0.000 0.473 308 L N -0.099 121.244 121.223 0.200 0.000 2.010 308 L HA -0.307 4.038 4.340 0.009 0.000 0.219 308 L C 2.226 179.147 176.870 0.084 0.000 1.077 308 L CA 1.955 56.861 54.840 0.109 0.000 0.773 308 L CB -1.022 41.079 42.059 0.068 0.000 0.892 308 L HN -0.057 nan 8.230 nan 0.000 0.436 309 D N -0.685 119.757 120.400 0.069 0.000 2.178 309 D HA -0.208 4.437 4.640 0.009 0.000 0.201 309 D C 2.083 178.414 176.300 0.053 0.000 0.980 309 D CA 1.145 55.177 54.000 0.053 0.000 0.842 309 D CB 0.007 40.830 40.800 0.038 0.000 0.948 309 D HN 0.380 nan 8.370 nan 0.000 0.472 310 E N 0.015 120.256 120.200 0.068 0.000 2.072 310 E HA -0.057 4.298 4.350 0.009 0.000 0.191 310 E C 0.455 177.073 176.600 0.031 0.000 0.985 310 E CA 0.131 56.563 56.400 0.055 0.000 0.801 310 E CB 0.047 29.797 29.700 0.085 0.000 0.750 310 E HN 0.193 nan 8.360 nan 0.000 0.452 311 L N 1.989 123.230 121.223 0.031 0.000 2.605 311 L HA -0.077 4.269 4.340 0.009 0.000 0.296 311 L C 0.473 177.364 176.870 0.036 0.000 1.255 311 L CA 0.623 55.473 54.840 0.017 0.000 0.879 311 L CB 0.001 42.084 42.059 0.041 0.000 1.124 311 L HN 0.153 nan 8.230 nan 0.000 0.507 312 E N 0.704 120.932 120.200 0.047 0.000 2.392 312 E HA 0.172 4.527 4.350 0.009 0.000 0.269 312 E C -1.103 175.546 176.600 0.082 0.000 0.924 312 E CA -0.702 55.732 56.400 0.056 0.000 0.784 312 E CB 1.977 31.705 29.700 0.045 0.000 1.292 312 E HN 0.386 nan 8.360 nan 0.000 0.447 313 E N 1.402 121.636 120.200 0.056 0.000 2.384 313 E HA 0.266 4.622 4.350 0.009 0.000 0.266 313 E C -0.506 176.123 176.600 0.048 0.000 1.012 313 E CA 0.314 56.740 56.400 0.043 0.000 0.901 313 E CB 0.372 30.075 29.700 0.005 0.000 0.967 313 E HN 0.326 nan 8.360 nan 0.000 0.435 314 M N 3.399 123.029 119.600 0.050 0.000 2.413 314 M HA 0.328 4.814 4.480 0.009 0.000 0.287 314 M C -0.887 175.405 176.300 -0.014 0.000 1.186 314 M CA -0.790 54.531 55.300 0.034 0.000 0.927 314 M CB 2.375 35.027 32.600 0.086 0.000 1.715 314 M HN 0.478 nan 8.290 nan 0.000 0.478 315 M N 5.075 124.653 119.600 -0.036 0.000 2.184 315 M HA 0.477 4.962 4.480 0.009 0.000 0.351 315 M C -0.791 175.458 176.300 -0.085 0.000 1.395 315 M CA 0.138 55.403 55.300 -0.058 0.000 1.117 315 M CB -0.110 32.458 32.600 -0.054 0.000 1.708 315 M HN 0.693 nan 8.290 nan 0.000 0.468 316 L N 2.623 123.792 121.223 -0.090 0.000 2.671 316 L HA 0.728 5.074 4.340 0.009 0.000 0.259 316 L C -1.791 174.963 176.870 -0.193 0.000 1.021 316 L CA -0.938 53.800 54.840 -0.170 0.000 0.871 316 L CB 2.094 43.974 42.059 -0.298 0.000 1.472 316 L HN 0.249 nan 8.230 nan 0.000 0.410 317 V N 2.368 122.128 119.914 -0.257 0.000 2.394 317 V HA 0.482 4.608 4.120 0.009 0.000 0.282 317 V C -0.006 175.823 176.094 -0.441 0.000 1.031 317 V CA -0.401 61.670 62.300 -0.382 0.000 0.881 317 V CB 1.662 33.295 31.823 -0.316 0.000 0.982 317 V HN 0.522 nan 8.190 nan 0.000 0.451 318 V N 5.211 124.801 119.914 -0.539 0.000 2.398 318 V HA 0.496 4.621 4.120 0.009 0.000 0.286 318 V C -0.446 175.408 176.094 -0.400 0.000 1.026 318 V CA -0.654 61.384 62.300 -0.436 0.000 0.868 318 V CB 1.415 32.950 31.823 -0.479 0.000 0.982 318 V HN 0.801 nan 8.190 nan 0.000 0.443 319 H N 6.696 125.688 119.070 -0.130 0.000 2.708 319 H HA 0.641 5.201 4.556 0.007 0.000 0.320 319 H C -0.349 174.886 175.328 -0.155 0.000 0.991 319 H CA -0.299 55.705 56.048 -0.073 0.000 1.243 319 H CB 1.826 31.570 29.762 -0.030 0.000 1.446 319 H HN 0.775 nan 8.280 nan 0.000 0.502 320 M N 1.957 121.500 119.600 -0.094 0.000 2.531 320 M HA 0.631 5.116 4.480 0.009 0.000 0.286 320 M C -3.272 172.956 176.300 -0.119 0.000 1.232 320 M CA -2.121 53.077 55.300 -0.170 0.000 0.877 320 M CB 3.278 35.754 32.600 -0.207 0.000 1.726 320 M HN 0.024 nan 8.290 nan 0.000 0.463 321 P HA 0.224 nan 4.420 nan 0.000 0.272 321 P C -1.357 176.087 177.300 0.239 0.000 1.240 321 P CA -0.287 62.858 63.100 0.076 0.000 0.791 321 P CB 0.461 32.151 31.700 -0.017 0.000 0.978 322 R N 1.815 122.427 120.500 0.187 0.000 2.247 322 R HA 0.498 4.844 4.340 0.009 0.000 0.329 322 R C -0.941 175.475 176.300 0.193 0.000 1.014 322 R CA -0.365 55.815 56.100 0.133 0.000 0.907 322 R CB -0.307 30.023 30.300 0.050 0.000 1.146 322 R HN 0.525 nan 8.270 nan 0.000 0.499 323 F N 0.075 119.987 119.950 -0.063 0.000 2.686 323 F HA 0.568 5.101 4.527 0.009 0.000 0.311 323 F C -1.616 174.090 175.800 -0.158 0.000 1.128 323 F CA -1.420 56.521 58.000 -0.098 0.000 0.946 323 F CB 1.316 40.259 39.000 -0.096 0.000 1.336 323 F HN 0.223 nan 8.300 nan 0.000 0.457 324 R N 3.142 123.568 120.500 -0.123 0.000 2.514 324 R HA 0.749 5.094 4.340 0.009 0.000 0.296 324 R C -1.869 174.323 176.300 -0.180 0.000 1.012 324 R CA -0.721 55.180 56.100 -0.331 0.000 0.897 324 R CB 1.651 31.804 30.300 -0.246 0.000 1.184 324 R HN 0.955 nan 8.270 nan 0.000 0.440 325 I N -0.302 120.090 120.570 -0.295 0.000 2.530 325 I HA 0.615 4.791 4.170 0.009 0.000 0.297 325 I C -0.986 175.023 176.117 -0.180 0.000 1.011 325 I CA -0.813 60.393 61.300 -0.156 0.000 1.107 325 I CB 2.382 40.343 38.000 -0.065 0.000 1.285 325 I HN 0.575 nan 8.210 nan 0.000 0.436 326 E N 3.278 123.487 120.200 0.016 0.000 2.246 326 E HA 0.415 4.771 4.350 0.009 0.000 0.266 326 E C -1.718 175.010 176.600 0.213 0.000 0.880 326 E CA -0.646 55.848 56.400 0.155 0.000 0.762 326 E CB 2.246 32.059 29.700 0.189 0.000 1.180 326 E HN 0.621 nan 8.360 nan 0.000 0.416 327 D N 1.332 121.918 120.400 0.310 0.000 2.619 327 D HA 0.633 5.279 4.640 0.009 0.000 0.241 327 D C -1.196 175.302 176.300 0.330 0.000 1.087 327 D CA -0.546 53.666 54.000 0.354 0.000 0.851 327 D CB 1.923 43.013 40.800 0.482 0.000 1.474 327 D HN 0.503 nan 8.370 nan 0.000 0.478 328 G N 1.698 110.693 108.800 0.326 0.000 2.711 328 G HA2 0.620 4.585 3.960 0.009 0.000 0.288 328 G HA3 0.620 4.585 3.960 0.009 0.000 0.288 328 G C -1.370 173.710 174.900 0.300 0.000 1.451 328 G CA -0.798 44.411 45.100 0.182 0.000 1.186 328 G HN 0.353 nan 8.290 nan 0.000 0.560 329 F N 0.218 120.337 119.950 0.281 0.000 2.741 329 F HA 0.843 5.375 4.527 0.009 0.000 0.313 329 F C -0.215 175.812 175.800 0.378 0.000 1.153 329 F CA -1.504 56.663 58.000 0.280 0.000 0.931 329 F CB 1.360 40.495 39.000 0.225 0.000 1.335 329 F HN 0.581 nan 8.300 nan 0.000 0.460 330 S N 1.167 117.220 115.700 0.588 0.000 2.585 330 S HA 0.565 5.040 4.470 0.009 0.000 0.277 330 S C 0.112 174.979 174.600 0.446 0.000 1.241 330 S CA -0.775 57.677 58.200 0.420 0.000 1.041 330 S CB 0.960 64.340 63.200 0.301 0.000 0.987 330 S HN 0.798 nan 8.310 nan 0.000 0.512 331 L N 2.435 123.849 121.223 0.318 0.000 2.640 331 L HA 0.299 4.645 4.340 0.009 0.000 0.230 331 L C 2.241 179.197 176.870 0.143 0.000 1.123 331 L CA -0.226 54.846 54.840 0.386 0.000 0.900 331 L CB -0.558 41.739 42.059 0.396 0.000 1.146 331 L HN 0.711 nan 8.230 nan 0.000 0.484 332 K N 1.787 122.154 120.400 -0.055 0.000 1.971 332 K HA -0.262 4.063 4.320 0.009 0.000 0.221 332 K C 2.399 178.767 176.600 -0.386 0.000 1.050 332 K CA 2.843 58.858 56.287 -0.455 0.000 0.967 332 K CB -0.119 32.137 32.500 -0.407 0.000 0.733 332 K HN 0.345 nan 8.250 nan 0.000 0.445 333 E N 0.946 121.027 120.200 -0.198 0.000 2.049 333 E HA -0.319 4.037 4.350 0.009 0.000 0.198 333 E C 1.926 178.436 176.600 -0.149 0.000 1.007 333 E CA 2.135 58.443 56.400 -0.153 0.000 0.809 333 E CB -0.924 28.722 29.700 -0.090 0.000 0.749 333 E HN 0.438 nan 8.360 nan 0.000 0.450 334 Q N 0.065 119.799 119.800 -0.111 0.000 2.014 334 Q HA -0.026 4.320 4.340 0.009 0.000 0.207 334 Q C 2.464 178.373 176.000 -0.153 0.000 0.993 334 Q CA 1.751 57.459 55.803 -0.159 0.000 0.850 334 Q CB -0.469 28.159 28.738 -0.183 0.000 0.916 334 Q HN 0.612 nan 8.270 nan 0.000 0.417 335 L N 0.104 121.332 121.223 0.009 0.000 2.083 335 L HA -0.265 4.081 4.340 0.009 0.000 0.209 335 L C 2.515 179.372 176.870 -0.021 0.000 1.083 335 L CA 1.268 56.124 54.840 0.026 0.000 0.752 335 L CB -0.397 41.747 42.059 0.142 0.000 0.899 335 L HN 0.356 nan 8.230 nan 0.000 0.433 336 Q N -0.087 119.650 119.800 -0.105 0.000 2.030 336 Q HA -0.254 4.091 4.340 0.009 0.000 0.204 336 Q C 1.875 177.823 176.000 -0.087 0.000 0.986 336 Q CA 1.965 57.723 55.803 -0.076 0.000 0.843 336 Q CB -0.137 28.501 28.738 -0.166 0.000 0.904 336 Q HN 0.468 nan 8.270 nan 0.000 0.420 337 D N 0.213 120.517 120.400 -0.161 0.000 2.149 337 D HA -0.209 4.436 4.640 0.009 0.000 0.194 337 D C 1.635 177.779 176.300 -0.261 0.000 1.001 337 D CA 1.569 55.445 54.000 -0.207 0.000 0.849 337 D CB -0.186 40.452 40.800 -0.271 0.000 0.939 337 D HN 0.386 nan 8.370 nan 0.000 0.449 338 M N -1.496 117.900 119.600 -0.339 0.000 2.595 338 M HA 0.216 4.701 4.480 0.009 0.000 0.248 338 M C 1.252 177.499 176.300 -0.088 0.000 1.119 338 M CA 0.862 56.019 55.300 -0.238 0.000 1.079 338 M CB 0.750 33.190 32.600 -0.267 0.000 1.472 338 M HN 0.130 nan 8.290 nan 0.000 0.501 339 G N 0.636 109.409 108.800 -0.045 0.000 2.227 339 G HA2 -0.126 3.840 3.960 0.009 0.000 0.168 339 G HA3 -0.126 3.840 3.960 0.009 0.000 0.168 339 G C -0.069 174.867 174.900 0.059 0.000 1.006 339 G CA -0.728 44.377 45.100 0.008 0.000 0.684 339 G HN 0.306 nan 8.290 nan 0.000 0.489 340 L N 2.643 123.933 121.223 0.112 0.000 2.395 340 L HA 0.294 4.639 4.340 0.009 0.000 0.268 340 L C 1.589 178.652 176.870 0.323 0.000 1.223 340 L CA -0.262 54.712 54.840 0.223 0.000 1.093 340 L CB 0.703 42.977 42.059 0.358 0.000 1.349 340 L HN 0.112 nan 8.230 nan 0.000 0.427 341 V N 0.267 120.301 119.914 0.200 0.000 3.048 341 V HA -0.031 4.095 4.120 0.009 0.000 0.241 341 V C 1.514 177.719 176.094 0.184 0.000 1.129 341 V CA 0.427 62.846 62.300 0.198 0.000 1.128 341 V CB 0.001 31.886 31.823 0.104 0.000 0.849 341 V HN 0.505 nan 8.190 nan 0.000 0.475 342 D N 0.763 121.229 120.400 0.111 0.000 2.084 342 D HA -0.153 4.492 4.640 0.009 0.000 0.194 342 D C 1.974 178.308 176.300 0.057 0.000 0.990 342 D CA 1.269 55.311 54.000 0.069 0.000 0.826 342 D CB -0.274 40.547 40.800 0.034 0.000 0.971 342 D HN 0.224 nan 8.370 nan 0.000 0.453 343 L N -0.106 121.109 121.223 -0.014 0.000 2.034 343 L HA -0.223 4.122 4.340 0.009 0.000 0.217 343 L C 1.717 178.466 176.870 -0.200 0.000 1.077 343 L CA 1.744 56.484 54.840 -0.166 0.000 0.769 343 L CB -0.679 41.180 42.059 -0.333 0.000 0.890 343 L HN 0.074 nan 8.230 nan 0.000 0.435 344 F N -1.325 118.703 119.950 0.130 0.000 2.558 344 F HA 0.102 4.634 4.527 0.009 0.000 0.298 344 F C 1.710 177.619 175.800 0.182 0.000 1.119 344 F CA 0.602 58.697 58.000 0.158 0.000 1.451 344 F CB -0.769 38.299 39.000 0.114 0.000 1.091 344 F HN 0.060 nan 8.300 nan 0.000 0.563 345 S N 1.550 117.395 115.700 0.241 0.000 2.481 345 S HA 0.153 4.629 4.470 0.009 0.000 0.276 345 S C -1.539 173.065 174.600 0.006 0.000 1.247 345 S CA -1.468 56.799 58.200 0.112 0.000 1.053 345 S CB 0.982 64.226 63.200 0.072 0.000 0.925 345 S HN -0.155 nan 8.310 nan 0.000 0.491 346 P HA -0.023 nan 4.420 nan 0.000 0.215 346 P C 1.585 178.744 177.300 -0.235 0.000 1.153 346 P CA 1.951 64.726 63.100 -0.542 0.000 0.853 346 P CB -0.011 31.300 31.700 -0.647 0.000 0.788 347 E N -0.022 120.100 120.200 -0.130 0.000 2.076 347 E HA -0.054 4.301 4.350 0.009 0.000 0.190 347 E C 2.025 178.606 176.600 -0.031 0.000 0.979 347 E CA 1.887 58.246 56.400 -0.069 0.000 0.807 347 E CB -1.518 28.152 29.700 -0.051 0.000 0.761 347 E HN 0.362 nan 8.360 nan 0.000 0.454 348 K N 0.383 120.776 120.400 -0.011 0.000 2.354 348 K HA 0.397 4.722 4.320 0.009 0.000 0.194 348 K C 1.493 178.103 176.600 0.016 0.000 1.038 348 K CA 0.617 56.907 56.287 0.006 0.000 1.052 348 K CB -0.085 32.424 32.500 0.015 0.000 0.861 348 K HN 0.430 nan 8.250 nan 0.000 0.535 349 S N 1.892 117.610 115.700 0.030 0.000 2.537 349 S HA 0.215 4.691 4.470 0.009 0.000 0.286 349 S C -0.435 174.177 174.600 0.020 0.000 1.299 349 S CA -0.187 58.035 58.200 0.037 0.000 1.067 349 S CB 0.242 63.497 63.200 0.091 0.000 0.864 349 S HN 0.313 nan 8.310 nan 0.000 0.494 350 K N 5.433 125.833 120.400 0.000 0.000 2.527 350 K HA 0.373 4.699 4.320 0.009 0.000 0.240 350 K C -1.115 175.469 176.600 -0.027 0.000 0.989 350 K CA -0.149 56.133 56.287 -0.008 0.000 0.985 350 K CB 0.916 33.413 32.500 -0.005 0.000 1.221 350 K HN 0.651 nan 8.250 nan 0.000 0.458 351 L N 4.927 126.127 121.223 -0.038 0.000 2.488 351 L HA 0.266 4.612 4.340 0.009 0.000 0.250 351 L C -1.888 174.931 176.870 -0.086 0.000 1.280 351 L CA -1.029 53.767 54.840 -0.075 0.000 0.929 351 L CB 1.809 43.809 42.059 -0.098 0.000 1.200 351 L HN 0.182 nan 8.230 nan 0.000 0.495 352 P HA 0.208 nan 4.420 nan 0.000 0.262 352 P C 0.786 178.036 177.300 -0.083 0.000 1.651 352 P CA 0.101 63.160 63.100 -0.068 0.000 1.119 352 P CB 0.975 32.652 31.700 -0.039 0.000 1.552 353 G N -0.449 108.270 108.800 -0.135 0.000 3.192 353 G HA2 0.129 4.095 3.960 0.009 0.000 0.239 353 G HA3 0.129 4.095 3.960 0.009 0.000 0.239 353 G C 1.049 175.775 174.900 -0.290 0.000 1.084 353 G CA 0.022 45.038 45.100 -0.141 0.000 0.784 353 G HN 0.133 nan 8.290 nan 0.000 0.540 354 I N 0.960 121.303 120.570 -0.378 0.000 2.185 354 I HA 0.003 4.179 4.170 0.009 0.000 0.235 354 I C 1.985 178.060 176.117 -0.070 0.000 1.069 354 I CA 0.652 61.651 61.300 -0.501 0.000 1.354 354 I CB -0.569 37.187 38.000 -0.406 0.000 1.093 354 I HN 0.074 nan 8.210 nan 0.000 0.411 355 V N -0.750 119.112 119.914 -0.087 0.000 3.709 355 V HA 0.442 4.567 4.120 0.009 0.000 0.276 355 V C 1.356 177.394 176.094 -0.094 0.000 0.967 355 V CA 0.082 62.284 62.300 -0.164 0.000 0.944 355 V CB 0.410 32.074 31.823 -0.265 0.000 1.243 355 V HN 0.244 nan 8.190 nan 0.000 0.413 356 A N -0.986 121.765 122.820 -0.114 0.000 1.903 356 A HA 0.241 4.567 4.320 0.009 0.000 0.213 356 A C 2.096 179.647 177.584 -0.055 0.000 1.185 356 A CA 1.468 53.466 52.037 -0.065 0.000 0.628 356 A CB -1.082 17.875 19.000 -0.072 0.000 0.830 356 A HN 1.345 nan 8.150 nan 0.000 0.446 357 E N -1.552 118.608 120.200 -0.066 0.000 2.385 357 E HA 0.343 4.698 4.350 0.009 0.000 0.194 357 E C 1.427 178.001 176.600 -0.044 0.000 1.013 357 E CA 1.125 57.495 56.400 -0.049 0.000 0.866 357 E CB -0.778 28.893 29.700 -0.048 0.000 0.832 357 E HN 1.949 nan 8.360 nan 0.000 0.500 358 G N 0.306 109.074 108.800 -0.053 0.000 2.135 358 G HA2 -0.239 3.727 3.960 0.009 0.000 0.183 358 G HA3 -0.239 3.727 3.960 0.009 0.000 0.183 358 G C 0.404 175.278 174.900 -0.044 0.000 1.004 358 G CA 0.085 45.156 45.100 -0.047 0.000 0.677 358 G HN 0.537 nan 8.290 nan 0.000 0.512 359 R N 0.497 120.966 120.500 -0.051 0.000 2.912 359 R HA 0.246 4.591 4.340 0.009 0.000 0.308 359 R C 0.958 177.244 176.300 -0.022 0.000 0.787 359 R CA 1.555 57.632 56.100 -0.037 0.000 1.117 359 R CB -0.389 29.882 30.300 -0.048 0.000 0.893 359 R HN 0.642 nan 8.270 nan 0.000 0.401 360 D N 3.534 123.929 120.400 -0.008 0.000 2.738 360 D HA 0.073 4.719 4.640 0.009 0.000 0.246 360 D C -0.250 176.065 176.300 0.024 0.000 1.270 360 D CA -0.384 53.618 54.000 0.003 0.000 0.833 360 D CB 0.318 41.115 40.800 -0.004 0.000 1.040 360 D HN 0.542 nan 8.370 nan 0.000 0.487 361 D N -0.334 120.095 120.400 0.049 0.000 2.479 361 D HA 0.166 4.812 4.640 0.009 0.000 0.218 361 D C 0.437 176.874 176.300 0.228 0.000 1.177 361 D CA -0.031 54.032 54.000 0.105 0.000 0.830 361 D CB 0.800 41.648 40.800 0.079 0.000 1.014 361 D HN 0.422 nan 8.370 nan 0.000 0.503 362 L N 1.899 123.201 121.223 0.130 0.000 2.281 362 L HA 0.327 4.672 4.340 0.009 0.000 0.285 362 L C -0.692 176.262 176.870 0.142 0.000 1.074 362 L CA -0.648 54.236 54.840 0.073 0.000 0.817 362 L CB 0.070 42.114 42.059 -0.025 0.000 1.168 362 L HN 0.012 nan 8.230 nan 0.000 0.434 363 Y N 0.907 121.174 120.300 -0.055 0.000 2.558 363 Y HA 0.502 5.058 4.550 0.009 0.000 0.333 363 Y C -0.960 174.901 175.900 -0.066 0.000 1.125 363 Y CA -1.472 56.593 58.100 -0.059 0.000 1.039 363 Y CB 0.737 39.187 38.460 -0.017 0.000 1.331 363 Y HN 0.083 nan 8.280 nan 0.000 0.456 364 V N 4.064 123.865 119.914 -0.189 0.000 2.439 364 V HA 0.107 4.233 4.120 0.009 0.000 0.271 364 V C 1.063 177.129 176.094 -0.046 0.000 1.040 364 V CA 0.759 62.916 62.300 -0.237 0.000 1.002 364 V CB 0.361 31.988 31.823 -0.327 0.000 1.000 364 V HN 1.070 nan 8.190 nan 0.000 0.477 365 S N 3.366 118.944 115.700 -0.204 0.000 2.344 365 S HA -0.059 4.417 4.470 0.009 0.000 0.217 365 S C 0.545 175.226 174.600 0.135 0.000 1.033 365 S CA 0.946 59.142 58.200 -0.007 0.000 1.017 365 S CB 0.047 63.199 63.200 -0.079 0.000 0.941 365 S HN 0.767 nan 8.310 nan 0.000 0.430 366 D N -0.398 120.015 120.400 0.021 0.000 2.599 366 D HA 0.692 5.337 4.640 0.009 0.000 0.252 366 D C -1.839 174.256 176.300 -0.341 0.000 1.232 366 D CA -0.245 53.683 54.000 -0.120 0.000 0.819 366 D CB 2.180 42.830 40.800 -0.249 0.000 1.401 366 D HN 0.457 nan 8.370 nan 0.000 0.429 367 A N 1.483 124.048 122.820 -0.425 0.000 2.374 367 A HA 0.713 5.039 4.320 0.009 0.000 0.305 367 A C -1.503 175.752 177.584 -0.547 0.000 1.053 367 A CA -0.539 51.289 52.037 -0.348 0.000 0.726 367 A CB 0.610 19.730 19.000 0.200 0.000 1.229 367 A HN 0.293 nan 8.150 nan 0.000 0.431 368 F N 1.121 121.160 119.950 0.150 0.000 2.556 368 F HA 0.656 5.188 4.527 0.009 0.000 0.327 368 F C 0.520 176.366 175.800 0.076 0.000 1.059 368 F CA -0.386 57.674 58.000 0.100 0.000 0.953 368 F CB 1.707 40.732 39.000 0.042 0.000 1.227 368 F HN 0.671 nan 8.300 nan 0.000 0.478 369 H N 1.196 120.263 119.070 -0.006 0.000 2.961 369 H HA 0.548 5.109 4.556 0.009 0.000 0.371 369 H C -1.665 173.500 175.328 -0.271 0.000 1.190 369 H CA -0.923 55.000 56.048 -0.208 0.000 1.138 369 H CB 2.425 31.873 29.762 -0.524 0.000 1.816 369 H HN 0.620 nan 8.280 nan 0.000 0.551 370 K N 2.368 122.501 120.400 -0.445 0.000 2.571 370 K HA 0.639 4.964 4.320 0.009 0.000 0.252 370 K C -2.178 174.369 176.600 -0.088 0.000 0.956 370 K CA -0.349 55.853 56.287 -0.143 0.000 0.822 370 K CB 1.678 34.148 32.500 -0.050 0.000 1.286 370 K HN 0.670 nan 8.250 nan 0.000 0.439 371 A N 3.185 126.114 122.820 0.182 0.000 2.479 371 A HA 0.892 5.217 4.320 0.009 0.000 0.296 371 A C -1.860 176.041 177.584 0.528 0.000 1.121 371 A CA -0.706 51.560 52.037 0.383 0.000 0.743 371 A CB 0.991 20.282 19.000 0.486 0.000 1.323 371 A HN 0.703 nan 8.150 nan 0.000 0.415 372 F N 0.948 121.129 119.950 0.385 0.000 2.573 372 F HA 0.657 5.190 4.527 0.010 0.000 0.316 372 F C -1.776 174.024 175.800 -0.001 0.000 1.148 372 F CA -0.827 57.271 58.000 0.163 0.000 0.940 372 F CB 1.723 40.769 39.000 0.076 0.000 1.214 372 F HN 0.598 nan 8.300 nan 0.000 0.448 373 L N 5.486 126.194 121.223 -0.859 0.000 2.365 373 L HA 0.661 5.007 4.340 0.009 0.000 0.273 373 L C -1.477 174.712 176.870 -1.135 0.000 1.000 373 L CA -0.279 53.936 54.840 -1.042 0.000 0.819 373 L CB 1.960 43.120 42.059 -1.499 0.000 1.284 373 L HN 0.755 nan 8.230 nan 0.000 0.418 374 E N 3.820 123.509 120.200 -0.851 0.000 2.281 374 E HA 0.597 4.952 4.350 0.009 0.000 0.266 374 E C -2.121 174.170 176.600 -0.514 0.000 0.893 374 E CA -0.638 55.337 56.400 -0.709 0.000 0.798 374 E CB 1.834 31.255 29.700 -0.465 0.000 1.245 374 E HN 0.475 nan 8.360 nan 0.000 0.410 375 V N 4.845 124.361 119.914 -0.663 0.000 2.555 375 V HA 0.573 4.699 4.120 0.009 0.000 0.302 375 V C -0.218 175.777 176.094 -0.166 0.000 1.038 375 V CA -0.567 61.529 62.300 -0.339 0.000 0.887 375 V CB 1.489 33.105 31.823 -0.344 0.000 0.991 375 V HN 0.868 nan 8.190 nan 0.000 0.434 376 N N 2.515 121.227 118.700 0.021 0.000 3.344 376 N HA 0.300 5.045 4.740 0.009 0.000 0.296 376 N C 0.397 176.061 175.510 0.257 0.000 1.571 376 N CA -0.771 52.322 53.050 0.071 0.000 0.844 376 N CB 0.971 39.470 38.487 0.020 0.000 1.718 376 N HN 0.230 nan 8.380 nan 0.000 0.589 377 E N -0.164 120.168 120.200 0.219 0.000 2.085 377 E HA -0.140 4.215 4.350 0.009 0.000 0.194 377 E C 0.772 177.676 176.600 0.507 0.000 0.994 377 E CA 1.898 58.518 56.400 0.367 0.000 0.801 377 E CB -0.080 29.765 29.700 0.241 0.000 0.743 377 E HN 0.671 nan 8.360 nan 0.000 0.453 378 E N -1.099 119.273 120.200 0.288 0.000 2.299 378 E HA 0.212 4.567 4.350 0.009 0.000 0.193 378 E C 0.785 177.407 176.600 0.036 0.000 0.998 378 E CA 0.690 57.205 56.400 0.192 0.000 0.851 378 E CB 0.677 30.433 29.700 0.093 0.000 0.795 378 E HN 0.262 nan 8.360 nan 0.000 0.492 379 G N -1.113 107.565 108.800 -0.202 0.000 2.491 379 G HA2 0.193 4.159 3.960 0.009 0.000 0.183 379 G HA3 0.193 4.159 3.960 0.009 0.000 0.183 379 G C -1.037 173.507 174.900 -0.593 0.000 1.221 379 G CA -0.310 44.245 45.100 -0.907 0.000 0.996 379 G HN -0.024 nan 8.290 nan 0.000 0.474 380 S N -0.397 115.067 115.700 -0.394 0.000 2.549 380 S HA 0.692 5.168 4.470 0.009 0.000 0.280 380 S C -1.417 173.023 174.600 -0.267 0.000 1.109 380 S CA -0.460 57.618 58.200 -0.204 0.000 0.905 380 S CB 1.977 65.213 63.200 0.061 0.000 1.081 380 S HN 0.591 nan 8.310 nan 0.000 0.477 381 E N 1.189 121.256 120.200 -0.222 0.000 2.218 381 E HA 0.675 5.030 4.350 0.009 0.000 0.263 381 E C -1.383 175.108 176.600 -0.182 0.000 0.879 381 E CA -0.594 55.659 56.400 -0.244 0.000 0.762 381 E CB 1.642 31.304 29.700 -0.063 0.000 1.166 381 E HN 0.655 nan 8.360 nan 0.000 0.415 382 A N 2.455 125.113 122.820 -0.270 0.000 2.414 382 A HA 0.904 5.230 4.320 0.009 0.000 0.306 382 A C -1.383 176.043 177.584 -0.262 0.000 1.054 382 A CA -0.325 51.470 52.037 -0.402 0.000 0.724 382 A CB 1.823 20.120 19.000 -1.173 0.000 1.267 382 A HN 0.563 nan 8.150 nan 0.000 0.418 383 A N 0.403 123.306 122.820 0.137 0.000 2.515 383 A HA 1.001 5.326 4.320 0.009 0.000 0.298 383 A C -0.456 177.417 177.584 0.482 0.000 1.059 383 A CA 0.052 52.292 52.037 0.338 0.000 0.698 383 A CB 1.461 20.610 19.000 0.248 0.000 1.289 383 A HN 2.642 nan 8.150 nan 0.000 0.404 384 A N 0.201 123.265 122.820 0.407 0.000 2.606 384 A HA 0.927 5.252 4.320 0.009 0.000 0.293 384 A C -0.628 176.966 177.584 0.016 0.000 1.082 384 A CA 0.010 52.162 52.037 0.191 0.000 0.685 384 A CB 1.383 20.534 19.000 0.252 0.000 1.284 384 A HN 1.961 nan 8.150 nan 0.000 0.408 385 S N -0.699 114.877 115.700 -0.206 0.000 2.536 385 S HA 0.822 5.298 4.470 0.009 0.000 0.271 385 S C -1.011 173.461 174.600 -0.212 0.000 1.134 385 S CA -0.175 57.947 58.200 -0.129 0.000 0.897 385 S CB 1.695 64.874 63.200 -0.035 0.000 1.094 385 S HN 1.045 nan 8.310 nan 0.000 0.473 386 T N 2.652 117.203 114.554 -0.004 0.000 2.861 386 T HA 0.785 5.140 4.350 0.009 0.000 0.287 386 T C -0.899 173.841 174.700 0.066 0.000 1.003 386 T CA -0.581 61.575 62.100 0.094 0.000 0.977 386 T CB 1.600 70.593 68.868 0.207 0.000 0.996 386 T HN 0.839 nan 8.240 nan 0.000 0.448 387 A N 2.642 125.512 122.820 0.082 0.000 2.410 387 A HA 0.656 4.981 4.320 0.009 0.000 0.289 387 A C -0.408 177.162 177.584 -0.024 0.000 1.200 387 A CA -0.644 51.427 52.037 0.057 0.000 0.751 387 A CB 0.610 19.697 19.000 0.144 0.000 1.161 387 A HN 0.698 nan 8.150 nan 0.000 0.459 388 V N 2.850 122.661 119.914 -0.172 0.000 2.455 388 V HA 0.326 4.452 4.120 0.009 0.000 0.273 388 V C 0.442 176.427 176.094 -0.182 0.000 1.045 388 V CA -0.336 61.803 62.300 -0.268 0.000 0.976 388 V CB 1.259 32.760 31.823 -0.536 0.000 0.993 388 V HN 0.797 nan 8.190 nan 0.000 0.475 389 V N 7.630 127.450 119.914 -0.157 0.000 2.328 389 V HA 0.508 4.633 4.120 0.009 0.000 0.278 389 V C -0.052 175.908 176.094 -0.223 0.000 1.021 389 V CA -0.345 61.862 62.300 -0.155 0.000 0.838 389 V CB 0.910 32.685 31.823 -0.081 0.000 0.999 389 V HN 0.725 nan 8.190 nan 0.000 0.447 390 I N 7.253 127.672 120.570 -0.253 0.000 2.337 390 I HA 0.486 4.661 4.170 0.009 0.000 0.291 390 I C 1.188 177.087 176.117 -0.364 0.000 1.046 390 I CA 0.280 61.392 61.300 -0.313 0.000 1.324 390 I CB 1.002 38.868 38.000 -0.224 0.000 1.409 390 I HN 1.020 nan 8.210 nan 0.000 0.494 391 A N 4.423 126.892 122.820 -0.585 0.000 2.930 391 A HA -0.128 4.198 4.320 0.009 0.000 0.273 391 A C 0.865 178.311 177.584 -0.229 0.000 1.435 391 A CA 0.754 52.482 52.037 -0.516 0.000 0.780 391 A CB -2.089 16.757 19.000 -0.257 0.000 1.034 391 A HN 0.947 nan 8.150 nan 0.000 0.562 392 G N -1.013 107.670 108.800 -0.196 0.000 2.975 392 G HA2 0.561 4.527 3.960 0.009 0.000 0.159 392 G HA3 0.561 4.527 3.960 0.009 0.000 0.159 392 G C 0.279 175.190 174.900 0.018 0.000 1.525 392 G CA -0.130 44.922 45.100 -0.081 0.000 1.075 392 G HN 0.675 nan 8.290 nan 0.000 0.574 393 R N -1.280 119.253 120.500 0.056 0.000 2.700 393 R HA 0.575 4.920 4.340 0.009 0.000 0.253 393 R C -0.807 175.571 176.300 0.130 0.000 1.091 393 R CA -0.405 55.754 56.100 0.099 0.000 1.104 393 R CB 1.517 31.869 30.300 0.087 0.000 1.202 393 R HN 0.365 nan 8.270 nan 0.000 0.532 394 S N 1.976 117.759 115.700 0.138 0.000 2.406 394 S HA 0.255 4.730 4.470 0.009 0.000 0.224 394 S C -0.575 174.106 174.600 0.136 0.000 1.426 394 S CA -0.841 57.445 58.200 0.144 0.000 1.179 394 S CB 0.067 63.346 63.200 0.133 0.000 1.042 394 S HN 0.282 nan 8.310 nan 0.000 0.479 395 L N 1.126 122.454 121.223 0.174 0.000 2.475 395 L HA 0.538 4.883 4.340 0.009 0.000 0.253 395 L C 0.244 177.195 176.870 0.136 0.000 1.198 395 L CA -0.575 54.349 54.840 0.140 0.000 0.814 395 L CB -0.257 41.878 42.059 0.126 0.000 1.134 395 L HN 0.212 nan 8.230 nan 0.000 0.478 396 N N -0.597 118.163 118.700 0.100 0.000 2.524 396 N HA 0.413 5.158 4.740 0.009 0.000 0.283 396 N C -2.439 173.134 175.510 0.104 0.000 1.142 396 N CA -1.190 51.912 53.050 0.087 0.000 0.984 396 N CB -0.208 38.314 38.487 0.059 0.000 1.155 396 N HN 0.531 nan 8.380 nan 0.000 0.467 397 P HA 0.022 nan 4.420 nan 0.000 0.253 397 P C -0.669 176.689 177.300 0.097 0.000 1.159 397 P CA 0.398 63.571 63.100 0.122 0.000 0.779 397 P CB -0.505 31.251 31.700 0.093 0.000 0.745 398 N N 3.885 122.647 118.700 0.105 0.000 2.521 398 N HA 0.198 4.944 4.740 0.009 0.000 0.236 398 N C 0.301 175.859 175.510 0.080 0.000 1.067 398 N CA -0.852 52.242 53.050 0.073 0.000 0.939 398 N CB -0.041 38.477 38.487 0.051 0.000 1.201 398 N HN 0.392 nan 8.380 nan 0.000 0.511 399 R N -0.067 120.473 120.500 0.067 0.000 2.346 399 R HA 0.761 5.107 4.340 0.009 0.000 0.311 399 R C -0.609 175.722 176.300 0.052 0.000 0.983 399 R CA -0.685 55.454 56.100 0.066 0.000 0.880 399 R CB 0.943 31.276 30.300 0.054 0.000 1.100 399 R HN 0.390 nan 8.270 nan 0.000 0.453 400 V N 0.461 120.409 119.914 0.057 0.000 2.791 400 V HA 0.599 4.724 4.120 0.009 0.000 0.258 400 V C -0.370 175.753 176.094 0.048 0.000 0.875 400 V CA 0.309 62.637 62.300 0.046 0.000 0.922 400 V CB 1.327 33.175 31.823 0.042 0.000 1.034 400 V HN 1.150 nan 8.190 nan 0.000 0.492 401 T N 0.032 114.611 114.554 0.042 0.000 2.840 401 T HA 1.007 5.362 4.350 0.009 0.000 0.317 401 T C -0.673 174.043 174.700 0.028 0.000 1.401 401 T CA -0.063 62.060 62.100 0.039 0.000 1.028 401 T CB 1.051 69.950 68.868 0.051 0.000 1.317 401 T HN 1.923 nan 8.240 nan 0.000 0.495 402 F N 0.382 120.346 119.950 0.023 0.000 2.538 402 F HA 0.970 5.502 4.527 0.009 0.000 0.325 402 F C 0.384 176.196 175.800 0.020 0.000 1.066 402 F CA -1.141 56.871 58.000 0.020 0.000 0.946 402 F CB 0.027 39.037 39.000 0.018 0.000 1.199 402 F HN 1.135 nan 8.300 nan 0.000 0.473 403 K N 0.727 121.142 120.400 0.025 0.000 2.154 403 K HA 0.888 5.214 4.320 0.009 0.000 0.264 403 K C -0.227 176.406 176.600 0.055 0.000 1.008 403 K CA 0.013 56.319 56.287 0.032 0.000 0.937 403 K CB 0.864 33.382 32.500 0.029 0.000 1.002 403 K HN 2.740 nan 8.250 nan 0.000 0.469 404 A N -0.264 122.603 122.820 0.079 0.000 2.609 404 A HA 0.754 5.079 4.320 0.009 0.000 0.291 404 A C 0.131 177.844 177.584 0.214 0.000 1.096 404 A CA -0.102 52.034 52.037 0.165 0.000 0.684 404 A CB 0.189 19.273 19.000 0.139 0.000 1.282 404 A HN 1.541 nan 8.150 nan 0.000 0.412 405 N N -0.672 118.214 118.700 0.309 0.000 2.366 405 N HA 0.679 5.425 4.740 0.009 0.000 0.277 405 N C 0.845 176.497 175.510 0.236 0.000 1.275 405 N CA 0.915 54.065 53.050 0.167 0.000 0.964 405 N CB -0.098 38.384 38.487 -0.007 0.000 1.167 405 N HN 2.501 nan 8.380 nan 0.000 0.568 406 R N 0.155 120.719 120.500 0.107 0.000 2.503 406 R HA -0.078 4.268 4.340 0.009 0.000 0.252 406 R C -2.231 174.196 176.300 0.213 0.000 0.890 406 R CA 0.955 57.126 56.100 0.118 0.000 0.732 406 R CB -2.530 27.794 30.300 0.040 0.000 1.838 406 R HN 0.899 nan 8.270 nan 0.000 0.533 407 P HA 0.779 nan 4.420 nan 0.000 0.287 407 P C -0.676 176.740 177.300 0.194 0.000 1.270 407 P CA -0.788 62.385 63.100 0.122 0.000 0.844 407 P CB 1.001 32.733 31.700 0.052 0.000 1.068 408 F N -0.146 119.816 119.950 0.020 0.000 2.565 408 F HA 0.570 5.105 4.527 0.012 0.000 0.313 408 F C -0.961 174.860 175.800 0.035 0.000 1.091 408 F CA -1.587 56.428 58.000 0.025 0.000 0.915 408 F CB 0.788 39.794 39.000 0.010 0.000 1.208 408 F HN 0.016 nan 8.300 nan 0.000 0.453 409 L N 3.936 125.246 121.223 0.145 0.000 2.397 409 L HA 0.613 4.959 4.340 0.009 0.000 0.271 409 L C -0.286 176.655 176.870 0.118 0.000 1.148 409 L CA -1.003 53.844 54.840 0.011 0.000 0.825 409 L CB 1.111 43.188 42.059 0.030 0.000 1.117 409 L HN 0.622 nan 8.230 nan 0.000 0.456 410 V N 0.850 120.740 119.914 -0.040 0.000 2.769 410 V HA 0.586 4.712 4.120 0.009 0.000 0.312 410 V C -0.792 175.292 176.094 -0.016 0.000 1.061 410 V CA -0.757 61.640 62.300 0.163 0.000 0.931 410 V CB 1.841 33.803 31.823 0.232 0.000 1.010 410 V HN 0.439 nan 8.190 nan 0.000 0.433 411 F N 2.566 122.684 119.950 0.280 0.000 2.607 411 F HA 0.639 5.171 4.527 0.008 0.000 0.322 411 F C -0.384 175.584 175.800 0.279 0.000 1.176 411 F CA -0.463 57.683 58.000 0.242 0.000 0.977 411 F CB 1.751 40.851 39.000 0.167 0.000 1.242 411 F HN 0.285 nan 8.300 nan 0.000 0.465 412 I N 4.726 125.568 120.570 0.454 0.000 2.321 412 I HA 0.580 4.756 4.170 0.009 0.000 0.291 412 I C -0.317 175.936 176.117 0.226 0.000 0.998 412 I CA -0.622 60.876 61.300 0.331 0.000 1.227 412 I CB 1.475 39.607 38.000 0.220 0.000 1.368 412 I HN 0.638 nan 8.210 nan 0.000 0.466 413 R N 4.464 125.074 120.500 0.182 0.000 2.837 413 R HA 0.568 4.913 4.340 0.009 0.000 0.271 413 R C -1.055 175.297 176.300 0.086 0.000 0.993 413 R CA -0.912 55.264 56.100 0.126 0.000 0.931 413 R CB 2.182 32.564 30.300 0.136 0.000 1.206 413 R HN 0.367 nan 8.270 nan 0.000 0.474 414 E N 2.397 122.632 120.200 0.057 0.000 2.109 414 E HA 0.131 4.486 4.350 0.009 0.000 0.278 414 E C 0.647 177.292 176.600 0.075 0.000 0.954 414 E CA -0.399 56.035 56.400 0.057 0.000 0.779 414 E CB 1.964 31.675 29.700 0.020 0.000 1.093 414 E HN 0.584 nan 8.360 nan 0.000 0.401 415 V N 6.427 126.399 119.914 0.097 0.000 2.244 415 V HA -0.141 3.985 4.120 0.009 0.000 0.244 415 V C -0.791 175.360 176.094 0.095 0.000 1.042 415 V CA 1.483 63.843 62.300 0.100 0.000 1.006 415 V CB -1.490 30.399 31.823 0.110 0.000 0.641 415 V HN 0.600 nan 8.190 nan 0.000 0.446 416 P HA -0.115 nan 4.420 nan 0.000 0.215 416 P C 1.283 178.645 177.300 0.103 0.000 1.153 416 P CA 1.498 64.644 63.100 0.078 0.000 0.853 416 P CB -0.110 31.625 31.700 0.059 0.000 0.788 417 L N -0.767 120.511 121.223 0.092 0.000 2.783 417 L HA 0.257 4.603 4.340 0.009 0.000 0.236 417 L C 0.684 177.612 176.870 0.097 0.000 1.225 417 L CA -0.210 54.692 54.840 0.104 0.000 1.026 417 L CB -1.518 40.562 42.059 0.036 0.000 1.314 417 L HN 0.013 nan 8.230 nan 0.000 0.489 418 N N 1.796 120.569 118.700 0.121 0.000 2.701 418 N HA -0.187 4.559 4.740 0.009 0.000 0.257 418 N C -0.383 175.114 175.510 -0.022 0.000 0.969 418 N CA 0.694 53.778 53.050 0.057 0.000 0.786 418 N CB -0.122 38.399 38.487 0.058 0.000 0.917 418 N HN 0.549 nan 8.380 nan 0.000 0.541 419 T N -1.074 113.478 114.554 -0.004 0.000 2.807 419 T HA 0.517 4.873 4.350 0.009 0.000 0.279 419 T C 0.291 175.001 174.700 0.017 0.000 0.993 419 T CA -0.768 61.322 62.100 -0.016 0.000 0.970 419 T CB 1.645 70.496 68.868 -0.028 0.000 0.950 419 T HN 0.144 nan 8.240 nan 0.000 0.441 420 I N 4.265 124.857 120.570 0.036 0.000 2.347 420 I HA 0.157 4.333 4.170 0.009 0.000 0.294 420 I C 1.286 177.425 176.117 0.037 0.000 1.090 420 I CA -0.435 60.921 61.300 0.093 0.000 1.314 420 I CB 0.188 38.283 38.000 0.159 0.000 1.423 420 I HN 0.688 nan 8.210 nan 0.000 0.503 421 I N 5.142 125.705 120.570 -0.013 0.000 2.185 421 I HA -0.064 4.112 4.170 0.009 0.000 0.235 421 I C 0.544 176.397 176.117 -0.440 0.000 1.069 421 I CA 1.246 62.414 61.300 -0.219 0.000 1.354 421 I CB -0.118 37.729 38.000 -0.254 0.000 1.093 421 I HN 0.271 nan 8.210 nan 0.000 0.411 422 F N 0.287 120.257 119.950 0.034 0.000 2.509 422 F HA 0.627 5.159 4.527 0.009 0.000 0.334 422 F C 0.042 175.831 175.800 -0.019 0.000 1.060 422 F CA -0.832 57.132 58.000 -0.059 0.000 0.997 422 F CB 1.509 40.528 39.000 0.032 0.000 1.271 422 F HN -0.073 nan 8.300 nan 0.000 0.488 423 M N 0.907 120.504 119.600 -0.004 0.000 2.346 423 M HA 0.690 5.176 4.480 0.009 0.000 0.287 423 M C -1.484 174.773 176.300 -0.070 0.000 1.100 423 M CA -0.135 55.105 55.300 -0.099 0.000 0.950 423 M CB 2.010 34.556 32.600 -0.091 0.000 1.815 423 M HN 0.760 nan 8.290 nan 0.000 0.497 424 G N 2.380 111.151 108.800 -0.049 0.000 2.606 424 G HA2 0.627 4.593 3.960 0.009 0.000 0.300 424 G HA3 0.627 4.593 3.960 0.009 0.000 0.300 424 G C -2.311 172.596 174.900 0.011 0.000 1.360 424 G CA -0.947 44.282 45.100 0.215 0.000 0.783 424 G HN 0.828 nan 8.290 nan 0.000 0.484 425 R N 0.655 121.211 120.500 0.093 0.000 2.467 425 R HA 0.499 4.844 4.340 0.009 0.000 0.299 425 R C -1.121 175.081 176.300 -0.164 0.000 1.120 425 R CA -0.333 55.744 56.100 -0.038 0.000 0.940 425 R CB 1.431 31.793 30.300 0.103 0.000 1.161 425 R HN 0.349 nan 8.270 nan 0.000 0.506 426 V N 3.728 123.351 119.914 -0.486 0.000 2.555 426 V HA 0.293 4.418 4.120 0.009 0.000 0.286 426 V C 0.946 176.767 176.094 -0.455 0.000 1.044 426 V CA 0.568 62.506 62.300 -0.603 0.000 1.026 426 V CB 1.277 32.379 31.823 -1.202 0.000 0.981 426 V HN 0.929 nan 8.190 nan 0.000 0.480 427 A N 4.392 127.056 122.820 -0.261 0.000 2.606 427 A HA 0.333 4.659 4.320 0.009 0.000 0.230 427 A C 0.492 177.989 177.584 -0.145 0.000 1.279 427 A CA -0.063 51.906 52.037 -0.112 0.000 1.010 427 A CB 0.042 19.024 19.000 -0.030 0.000 1.271 427 A HN 0.780 nan 8.150 nan 0.000 0.584 428 N N 0.715 119.244 118.700 -0.284 0.000 2.558 428 N HA 0.349 5.094 4.740 0.009 0.000 0.285 428 N C -2.635 172.604 175.510 -0.452 0.000 1.112 428 N CA -1.263 51.522 53.050 -0.441 0.000 0.857 428 N CB 2.013 40.356 38.487 -0.240 0.000 1.376 428 N HN -0.092 nan 8.380 nan 0.000 0.526 429 P HA 0.201 nan 4.420 nan 0.000 0.257 429 P C -0.346 176.827 177.300 -0.212 0.000 1.325 429 P CA -0.022 62.831 63.100 -0.411 0.000 0.850 429 P CB -0.036 31.424 31.700 -0.401 0.000 1.324 430 c N 0.000 118.466 118.600 -0.224 0.000 2.653 430 c HA 0.000 4.576 4.570 0.009 0.000 0.325 430 c CA 0.000 56.261 56.329 -0.113 0.000 1.963 430 c CB 0.000 42.434 42.510 -0.126 0.000 2.134 430 c HN 0.000 nan 8.230 nan 0.000 0.568