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 1mx9_1_E DATA FIRST_RESID 5022 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK 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 5022 S HA 0.000 nan 4.470 nan 0.000 0.327 5022 S C 0.000 174.701 174.600 0.168 0.000 1.055 5022 S CA 0.000 58.263 58.200 0.105 0.000 1.107 5022 S CB 0.000 63.251 63.200 0.084 0.000 0.593 5023 P HA 0.298 nan 4.420 nan 0.000 0.267 5023 P C -2.613 174.682 177.300 -0.007 0.000 1.201 5023 P CA -0.638 62.483 63.100 0.034 0.000 0.775 5023 P CB -0.678 31.002 31.700 -0.033 0.000 0.854 5024 P HA 0.150 nan 4.420 nan 0.000 0.280 5024 P C -0.889 176.408 177.300 -0.005 0.000 1.244 5024 P CA -0.102 62.891 63.100 -0.178 0.000 0.784 5024 P CB 0.931 32.258 31.700 -0.621 0.000 0.913 5025 V N 4.107 124.066 119.914 0.074 0.000 2.525 5025 V HA 0.292 4.411 4.120 -0.001 0.000 0.299 5025 V C 0.175 176.296 176.094 0.045 0.000 1.034 5025 V CA -0.663 61.702 62.300 0.108 0.000 0.863 5025 V CB 2.213 34.088 31.823 0.087 0.000 0.999 5025 V HN 0.308 nan 8.190 nan 0.000 0.423 5026 V N 3.046 122.956 119.914 -0.006 0.000 2.715 5026 V HA 0.557 4.677 4.120 -0.001 0.000 0.310 5026 V C -0.899 175.128 176.094 -0.113 0.000 1.054 5026 V CA -0.746 61.424 62.300 -0.217 0.000 0.928 5026 V CB 2.442 33.815 31.823 -0.750 0.000 1.007 5026 V HN 0.843 nan 8.190 nan 0.000 0.437 5027 D N 2.423 122.747 120.400 -0.126 0.000 2.373 5027 D HA 0.467 5.106 4.640 -0.001 0.000 0.227 5027 D C 0.289 176.539 176.300 -0.084 0.000 1.091 5027 D CA -0.060 53.901 54.000 -0.064 0.000 0.840 5027 D CB 1.655 42.413 40.800 -0.069 0.000 1.060 5027 D HN 0.734 nan 8.370 nan 0.000 0.502 5028 T N -2.351 112.195 114.554 -0.014 0.000 2.936 5028 T HA 0.271 4.620 4.350 -0.001 0.000 0.282 5028 T C 1.549 176.134 174.700 -0.192 0.000 1.003 5028 T CA -0.817 61.265 62.100 -0.031 0.000 1.005 5028 T CB 1.096 70.103 68.868 0.231 0.000 1.097 5028 T HN 0.002 nan 8.240 nan 0.000 0.532 5029 V N 1.086 120.810 119.914 -0.316 0.000 2.439 5029 V HA -0.199 3.920 4.120 -0.001 0.000 0.253 5029 V C 2.142 177.936 176.094 -0.500 0.000 1.074 5029 V CA 1.793 63.834 62.300 -0.433 0.000 1.076 5029 V CB -1.208 30.261 31.823 -0.589 0.000 0.664 5029 V HN 0.879 nan 8.190 nan 0.000 0.461 5030 H N -0.416 118.447 119.070 -0.346 0.000 2.551 5030 H HA 0.499 5.054 4.556 -0.001 0.000 0.271 5030 H C 1.012 175.532 175.328 -1.346 0.000 0.984 5030 H CA 0.890 56.541 56.048 -0.662 0.000 1.164 5030 H CB 0.699 30.133 29.762 -0.546 0.000 1.437 5030 H HN 0.533 nan 8.280 nan 0.000 0.550 5031 G N 0.674 108.966 108.800 -0.847 0.000 2.326 5031 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.413 5031 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.413 5031 G C -1.212 173.711 174.900 0.039 0.000 1.444 5031 G CA -1.202 43.446 45.100 -0.753 0.000 1.002 5031 G HN 0.038 nan 8.290 nan 0.000 0.649 5032 K N -0.254 120.289 120.400 0.239 0.000 2.484 5032 K HA 0.379 4.699 4.320 -0.001 0.000 0.280 5032 K C 0.542 177.458 176.600 0.527 0.000 1.013 5032 K CA 0.028 56.509 56.287 0.324 0.000 1.029 5032 K CB 0.971 33.614 32.500 0.237 0.000 0.902 5032 K HN 0.802 nan 8.250 nan 0.000 0.481 5033 V N 1.754 121.899 119.914 0.386 0.000 2.555 5033 V HA 0.438 4.557 4.120 -0.001 0.000 0.302 5033 V C -0.454 175.831 176.094 0.317 0.000 1.038 5033 V CA -1.124 61.399 62.300 0.373 0.000 0.887 5033 V CB 1.667 33.750 31.823 0.434 0.000 0.991 5033 V HN 0.651 nan 8.190 nan 0.000 0.434 5034 L N 4.146 125.509 121.223 0.233 0.000 2.294 5034 L HA 0.829 5.169 4.340 -0.001 0.000 0.283 5034 L C 0.441 177.344 176.870 0.054 0.000 1.015 5034 L CA 0.172 55.095 54.840 0.139 0.000 0.831 5034 L CB 0.887 42.985 42.059 0.065 0.000 1.217 5034 L HN 0.973 nan 8.230 nan 0.000 0.420 5035 G N 4.535 113.270 108.800 -0.108 0.000 2.990 5035 G HA2 0.542 4.502 3.960 -0.001 0.000 0.208 5035 G HA3 0.542 4.502 3.960 -0.001 0.000 0.208 5035 G C -1.313 173.299 174.900 -0.479 0.000 1.334 5035 G CA -0.556 44.246 45.100 -0.496 0.000 1.024 5035 G HN 0.655 nan 8.290 nan 0.000 0.574 5036 K N -1.292 118.756 120.400 -0.588 0.000 2.502 5036 K HA 0.586 4.905 4.320 -0.001 0.000 0.257 5036 K C -1.788 174.587 176.600 -0.376 0.000 0.938 5036 K CA -0.800 55.258 56.287 -0.381 0.000 0.819 5036 K CB 2.058 34.425 32.500 -0.221 0.000 1.333 5036 K HN 0.265 nan 8.250 nan 0.000 0.434 5037 F N 1.905 121.782 119.950 -0.122 0.000 2.420 5037 F HA 0.345 4.871 4.527 -0.001 0.000 0.352 5037 F C -0.403 175.378 175.800 -0.031 0.000 1.108 5037 F CA -0.695 57.265 58.000 -0.067 0.000 1.162 5037 F CB 1.752 40.732 39.000 -0.033 0.000 1.118 5037 F HN 0.135 nan 8.300 nan 0.000 0.510 5038 V N 3.651 123.703 119.914 0.231 0.000 2.419 5038 V HA 0.220 4.339 4.120 -0.001 0.000 0.287 5038 V C -0.317 175.868 176.094 0.152 0.000 1.017 5038 V CA -0.767 61.625 62.300 0.152 0.000 0.844 5038 V CB 1.429 33.325 31.823 0.121 0.000 1.011 5038 V HN 0.716 nan 8.190 nan 0.000 0.429 5039 S N 4.693 120.464 115.700 0.118 0.000 2.580 5039 S HA 0.649 5.119 4.470 -0.001 0.000 0.274 5039 S C -0.344 174.324 174.600 0.114 0.000 1.329 5039 S CA -0.248 58.013 58.200 0.102 0.000 1.036 5039 S CB 1.336 64.576 63.200 0.067 0.000 0.919 5039 S HN 0.563 nan 8.310 nan 0.000 0.515 5040 L N 2.118 123.422 121.223 0.135 0.000 2.333 5040 L HA 0.610 4.949 4.340 -0.001 0.000 0.269 5040 L C -0.228 176.777 176.870 0.226 0.000 1.010 5040 L CA -0.729 54.211 54.840 0.166 0.000 0.818 5040 L CB 1.496 43.628 42.059 0.121 0.000 1.306 5040 L HN 0.532 nan 8.230 nan 0.000 0.430 5041 E N 2.265 122.596 120.200 0.218 0.000 2.529 5041 E HA 0.365 4.715 4.350 -0.001 0.000 0.259 5041 E C 1.054 177.745 176.600 0.151 0.000 0.966 5041 E CA 1.513 58.018 56.400 0.174 0.000 0.937 5041 E CB 0.227 30.032 29.700 0.176 0.000 0.923 5041 E HN 0.879 nan 8.360 nan 0.000 0.468 5042 G N 3.251 112.035 108.800 -0.027 0.000 2.184 5042 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.264 5042 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.264 5042 G C -0.012 174.524 174.900 -0.607 0.000 0.975 5042 G CA 0.369 45.278 45.100 -0.318 0.000 0.642 5042 G HN 0.377 nan 8.290 nan 0.000 0.536 5043 F N 0.165 120.072 119.950 -0.071 0.000 2.507 5043 F HA 0.747 5.274 4.527 -0.001 0.000 0.328 5043 F C 1.155 176.929 175.800 -0.044 0.000 1.136 5043 F CA -0.317 57.637 58.000 -0.076 0.000 0.930 5043 F CB 1.514 40.448 39.000 -0.110 0.000 1.166 5043 F HN 0.125 nan 8.300 nan 0.000 0.436 5044 A N 1.906 124.783 122.820 0.095 0.000 1.823 5044 A HA -0.163 4.156 4.320 -0.001 0.000 0.214 5044 A C 1.043 178.653 177.584 0.042 0.000 1.227 5044 A CA 0.870 52.933 52.037 0.042 0.000 0.616 5044 A CB -0.812 18.196 19.000 0.013 0.000 0.874 5044 A HN 0.693 nan 8.150 nan 0.000 0.455 5045 Q N 1.482 121.309 119.800 0.045 0.000 2.586 5045 Q HA 0.081 4.420 4.340 -0.001 0.000 0.312 5045 Q C -2.394 173.633 176.000 0.045 0.000 1.165 5045 Q CA -0.743 55.075 55.803 0.025 0.000 1.065 5045 Q CB -0.447 28.327 28.738 0.060 0.000 1.054 5045 Q HN 0.320 nan 8.270 nan 0.000 0.408 5046 P HA -0.019 nan 4.420 nan 0.000 0.270 5046 P C -0.912 176.524 177.300 0.226 0.000 1.223 5046 P CA -0.338 62.800 63.100 0.063 0.000 0.785 5046 P CB 0.635 32.294 31.700 -0.068 0.000 0.923 5047 V N 1.432 121.500 119.914 0.257 0.000 2.649 5047 V HA 0.397 4.516 4.120 -0.001 0.000 0.292 5047 V C 0.502 176.775 176.094 0.299 0.000 1.055 5047 V CA -0.258 62.203 62.300 0.269 0.000 1.023 5047 V CB 0.835 32.785 31.823 0.212 0.000 0.992 5047 V HN 0.640 nan 8.190 nan 0.000 0.480 5048 A N 6.834 129.775 122.820 0.201 0.000 2.260 5048 A HA 0.683 5.003 4.320 -0.001 0.000 0.312 5048 A C -0.420 177.033 177.584 -0.219 0.000 1.321 5048 A CA -0.329 51.607 52.037 -0.169 0.000 0.928 5048 A CB -0.128 18.859 19.000 -0.021 0.000 1.158 5048 A HN 0.741 nan 8.150 nan 0.000 0.542 5049 I N 2.529 122.817 120.570 -0.471 0.000 2.354 5049 I HA 0.380 4.550 4.170 -0.001 0.000 0.292 5049 I C -1.160 174.526 176.117 -0.717 0.000 0.989 5049 I CA -0.268 60.747 61.300 -0.476 0.000 1.188 5049 I CB 1.333 39.129 38.000 -0.341 0.000 1.342 5049 I HN 0.547 nan 8.210 nan 0.000 0.457 5050 F N 6.779 126.594 119.950 -0.224 0.000 2.460 5050 F HA 0.512 5.039 4.527 -0.001 0.000 0.341 5050 F C -0.306 175.383 175.800 -0.186 0.000 1.130 5050 F CA -0.524 57.406 58.000 -0.117 0.000 0.962 5050 F CB 1.232 40.279 39.000 0.077 0.000 1.171 5050 F HN 0.120 nan 8.300 nan 0.000 0.436 5051 L N 2.712 123.890 121.223 -0.076 0.000 2.322 5051 L HA 0.695 5.034 4.340 -0.001 0.000 0.281 5051 L C 0.616 177.438 176.870 -0.080 0.000 1.014 5051 L CA -0.945 53.825 54.840 -0.116 0.000 0.815 5051 L CB 1.718 43.591 42.059 -0.311 0.000 1.247 5051 L HN 0.879 nan 8.230 nan 0.000 0.421 5052 G N 3.855 112.638 108.800 -0.029 0.000 2.368 5052 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.290 5052 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.290 5052 G C -0.401 174.532 174.900 0.055 0.000 1.098 5052 G CA -0.425 44.634 45.100 -0.069 0.000 1.073 5052 G HN 0.479 nan 8.290 nan 0.000 0.511 5053 I N 2.243 122.884 120.570 0.118 0.000 2.315 5053 I HA 0.277 4.446 4.170 -0.001 0.000 0.291 5053 I C -1.498 174.665 176.117 0.077 0.000 1.006 5053 I CA -2.436 58.912 61.300 0.080 0.000 1.265 5053 I CB 1.731 39.715 38.000 -0.026 0.000 1.387 5053 I HN 0.048 nan 8.210 nan 0.000 0.475 5054 P HA 0.021 nan 4.420 nan 0.000 0.276 5054 P C -0.233 177.003 177.300 -0.107 0.000 1.235 5054 P CA 0.038 63.039 63.100 -0.165 0.000 0.772 5054 P CB 0.555 32.217 31.700 -0.065 0.000 0.871 5055 F N 1.476 121.249 119.950 -0.295 0.000 2.682 5055 F HA 0.739 5.266 4.527 -0.001 0.000 0.308 5055 F C -0.095 175.708 175.800 0.005 0.000 1.093 5055 F CA -1.042 56.826 58.000 -0.220 0.000 1.244 5055 F CB 0.120 38.881 39.000 -0.397 0.000 1.052 5055 F HN 0.399 nan 8.300 nan 0.000 0.573 5056 A N 0.693 123.320 122.820 -0.322 0.000 2.605 5056 A HA 0.463 4.782 4.320 -0.001 0.000 0.294 5056 A C -1.184 176.244 177.584 -0.260 0.000 1.062 5056 A CA -1.104 50.802 52.037 -0.219 0.000 0.682 5056 A CB 0.833 19.662 19.000 -0.286 0.000 1.278 5056 A HN 0.199 nan 8.150 nan 0.000 0.410 5057 K N 1.466 121.780 120.400 -0.144 0.000 2.416 5057 K HA 0.319 4.638 4.320 -0.001 0.000 0.283 5057 K C -2.347 174.149 176.600 -0.174 0.000 1.037 5057 K CA -1.223 54.986 56.287 -0.130 0.000 0.995 5057 K CB 0.107 32.562 32.500 -0.076 0.000 0.938 5057 K HN 0.340 nan 8.250 nan 0.000 0.475 5058 P HA -0.064 nan 4.420 nan 0.000 0.258 5058 P C -2.437 174.775 177.300 -0.147 0.000 1.172 5058 P CA -0.713 62.279 63.100 -0.180 0.000 0.762 5058 P CB 0.094 31.721 31.700 -0.122 0.000 0.764 5059 P HA 0.074 nan 4.420 nan 0.000 0.249 5059 P C -0.759 176.458 177.300 -0.139 0.000 1.737 5059 P CA 0.559 63.567 63.100 -0.154 0.000 1.128 5059 P CB 0.087 31.692 31.700 -0.158 0.000 1.942 5060 L N 0.788 121.939 121.223 -0.120 0.000 2.319 5060 L HA 0.619 4.959 4.340 -0.001 0.000 0.267 5060 L C 1.632 178.440 176.870 -0.103 0.000 1.011 5060 L CA -0.679 54.101 54.840 -0.100 0.000 0.818 5060 L CB 1.285 43.299 42.059 -0.075 0.000 1.316 5060 L HN 0.348 nan 8.230 nan 0.000 0.432 5061 G N 1.526 110.269 108.800 -0.095 0.000 2.702 5061 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.342 5061 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.342 5061 G C -1.432 173.408 174.900 -0.100 0.000 1.258 5061 G CA 0.714 45.762 45.100 -0.087 0.000 0.990 5061 G HN 0.583 nan 8.290 nan 0.000 0.548 5062 P HA -0.099 nan 4.420 nan 0.000 0.217 5062 P C 2.110 179.356 177.300 -0.090 0.000 1.162 5062 P CA 2.029 65.098 63.100 -0.052 0.000 0.901 5062 P CB -0.277 31.403 31.700 -0.034 0.000 0.793 5063 L N -1.974 119.180 121.223 -0.115 0.000 2.549 5063 L HA -0.094 4.245 4.340 -0.001 0.000 0.230 5063 L C 1.627 178.344 176.870 -0.256 0.000 1.162 5063 L CA 0.259 55.002 54.840 -0.161 0.000 0.834 5063 L CB -0.752 41.227 42.059 -0.134 0.000 0.947 5063 L HN -0.001 nan 8.230 nan 0.000 0.452 5064 R N 0.733 121.055 120.500 -0.297 0.000 2.442 5064 R HA 0.015 4.355 4.340 -0.001 0.000 0.291 5064 R C -0.324 175.615 176.300 -0.602 0.000 1.069 5064 R CA -0.163 55.620 56.100 -0.529 0.000 1.022 5064 R CB 0.218 30.134 30.300 -0.639 0.000 0.976 5064 R HN 0.065 nan 8.270 nan 0.000 0.443 5065 F N 0.132 119.793 119.950 -0.482 0.000 3.023 5065 F HA -0.256 4.270 4.527 -0.001 0.000 0.297 5065 F C 0.043 175.045 175.800 -1.332 0.000 0.858 5065 F CA 1.308 58.825 58.000 -0.805 0.000 1.222 5065 F CB -2.496 36.369 39.000 -0.224 0.000 1.263 5065 F HN 0.667 nan 8.300 nan 0.000 0.565 5066 T N -3.734 110.055 114.554 -1.276 0.000 2.864 5066 T HA 0.783 5.133 4.350 -0.001 0.000 0.299 5066 T C -3.044 171.244 174.700 -0.686 0.000 1.166 5066 T CA -2.420 59.055 62.100 -1.041 0.000 1.007 5066 T CB 3.239 71.878 68.868 -0.381 0.000 1.219 5066 T HN -0.258 nan 8.240 nan 0.000 0.506 5067 P HA 0.199 nan 4.420 nan 0.000 0.266 5067 P C -2.347 174.982 177.300 0.049 0.000 1.193 5067 P CA -0.638 62.549 63.100 0.146 0.000 0.770 5067 P CB -0.279 31.532 31.700 0.184 0.000 0.836 5068 P HA 0.119 nan 4.420 nan 0.000 0.271 5068 P C -0.783 176.561 177.300 0.073 0.000 1.218 5068 P CA 0.126 63.273 63.100 0.077 0.000 0.780 5068 P CB 0.820 32.618 31.700 0.163 0.000 0.901 5069 Q N 2.297 122.115 119.800 0.029 0.000 2.387 5069 Q HA 0.458 4.797 4.340 -0.001 0.000 0.273 5069 Q C -2.417 173.614 176.000 0.052 0.000 1.089 5069 Q CA -2.294 53.533 55.803 0.040 0.000 0.824 5069 Q CB 1.610 30.352 28.738 0.006 0.000 1.367 5069 Q HN 0.315 nan 8.270 nan 0.000 0.443 5070 P HA -0.067 nan 4.420 nan 0.000 0.265 5070 P C -1.334 175.972 177.300 0.010 0.000 1.187 5070 P CA 0.301 63.466 63.100 0.109 0.000 0.766 5070 P CB 0.481 32.256 31.700 0.126 0.000 0.820 5071 A N 2.967 125.761 122.820 -0.045 0.000 2.322 5071 A HA 0.239 4.559 4.320 -0.001 0.000 0.269 5071 A C 0.215 177.640 177.584 -0.266 0.000 1.094 5071 A CA -0.431 51.527 52.037 -0.133 0.000 0.807 5071 A CB 0.094 19.056 19.000 -0.063 0.000 1.047 5071 A HN 0.444 nan 8.150 nan 0.000 0.487 5072 E N 2.435 122.567 120.200 -0.113 0.000 2.290 5072 E HA 0.251 4.601 4.350 -0.001 0.000 0.277 5072 E C -2.151 174.426 176.600 -0.039 0.000 1.035 5072 E CA -1.683 54.675 56.400 -0.069 0.000 0.873 5072 E CB 0.112 29.818 29.700 0.010 0.000 1.029 5072 E HN 0.445 nan 8.360 nan 0.000 0.419 5073 P HA -0.001 nan 4.420 nan 0.000 0.268 5073 P C -0.545 176.782 177.300 0.045 0.000 1.208 5073 P CA -0.022 63.024 63.100 -0.089 0.000 0.777 5073 P CB 0.290 31.968 31.700 -0.037 0.000 0.875 5074 W N 0.326 121.650 121.300 0.041 0.000 2.671 5074 W HA 0.627 5.287 4.660 -0.001 0.000 0.360 5074 W C 0.612 177.093 176.519 -0.063 0.000 1.128 5074 W CA -0.729 56.621 57.345 0.009 0.000 1.184 5074 W CB -0.276 29.215 29.460 0.052 0.000 1.415 5074 W HN 0.125 nan 8.180 nan 0.000 0.604 5075 S N -0.108 115.651 115.700 0.098 0.000 2.470 5075 S HA 0.144 4.614 4.470 -0.001 0.000 0.222 5075 S C 0.525 174.746 174.600 -0.631 0.000 1.024 5075 S CA 0.496 58.472 58.200 -0.374 0.000 0.931 5075 S CB -0.195 62.612 63.200 -0.655 0.000 0.791 5075 S HN 0.455 nan 8.310 nan 0.000 0.513 5076 F N 0.015 120.132 119.950 0.278 0.000 2.126 5076 F HA 0.466 4.992 4.527 -0.001 0.000 0.200 5076 F C -0.090 175.879 175.800 0.282 0.000 1.294 5076 F CA -0.707 57.417 58.000 0.207 0.000 1.267 5076 F CB 0.017 39.097 39.000 0.133 0.000 1.855 5076 F HN -0.311 nan 8.300 nan 0.000 0.193 5077 V N 1.363 121.550 119.914 0.454 0.000 2.349 5077 V HA 0.255 4.374 4.120 -0.001 0.000 0.284 5077 V C -0.477 175.744 176.094 0.212 0.000 1.014 5077 V CA -1.094 61.407 62.300 0.334 0.000 0.826 5077 V CB 1.057 33.014 31.823 0.224 0.000 1.009 5077 V HN 0.313 nan 8.190 nan 0.000 0.431 5078 K N 4.239 124.727 120.400 0.148 0.000 2.336 5078 K HA 0.109 4.428 4.320 -0.001 0.000 0.290 5078 K C 0.357 176.916 176.600 -0.068 0.000 1.067 5078 K CA -0.144 56.003 56.287 -0.234 0.000 0.962 5078 K CB 0.125 32.056 32.500 -0.950 0.000 1.008 5078 K HN 0.732 nan 8.250 nan 0.000 0.467 5079 N N 3.529 122.189 118.700 -0.066 0.000 2.402 5079 N HA 0.089 4.829 4.740 -0.001 0.000 0.252 5079 N C -1.122 174.341 175.510 -0.078 0.000 1.118 5079 N CA -0.288 52.739 53.050 -0.039 0.000 0.945 5079 N CB 1.237 39.700 38.487 -0.041 0.000 1.147 5079 N HN 0.498 nan 8.380 nan 0.000 0.495 5080 A N 3.319 126.117 122.820 -0.036 0.000 3.079 5080 A HA 0.317 4.637 4.320 -0.001 0.000 0.315 5080 A C 0.277 177.791 177.584 -0.116 0.000 1.334 5080 A CA -0.561 51.441 52.037 -0.058 0.000 1.048 5080 A CB -0.618 18.414 19.000 0.053 0.000 1.156 5080 A HN 0.710 nan 8.150 nan 0.000 0.523 5081 T N -1.766 112.689 114.554 -0.165 0.000 3.584 5081 T HA 0.519 4.869 4.350 -0.001 0.000 0.259 5081 T C -0.281 174.256 174.700 -0.273 0.000 1.009 5081 T CA 0.106 62.072 62.100 -0.224 0.000 1.103 5081 T CB -0.907 67.853 68.868 -0.180 0.000 1.099 5081 T HN 1.039 nan 8.240 nan 0.000 0.539 5082 S N 0.083 115.590 115.700 -0.321 0.000 2.570 5082 S HA 0.493 4.962 4.470 -0.001 0.000 0.286 5082 S C -1.037 173.371 174.600 -0.320 0.000 1.143 5082 S CA -1.108 56.886 58.200 -0.343 0.000 0.921 5082 S CB 0.176 63.259 63.200 -0.196 0.000 1.108 5082 S HN 0.241 nan 8.310 nan 0.000 0.456 5083 Y N 3.296 123.534 120.300 -0.104 0.000 2.810 5083 Y HA 0.253 4.803 4.550 -0.001 0.000 0.332 5083 Y C -1.198 174.602 175.900 -0.166 0.000 1.243 5083 Y CA -0.565 57.471 58.100 -0.107 0.000 1.537 5083 Y CB -0.185 38.230 38.460 -0.076 0.000 1.265 5083 Y HN 0.517 nan 8.280 nan 0.000 0.572 5084 P HA 0.219 nan 4.420 nan 0.000 0.275 5084 P C -2.625 174.600 177.300 -0.126 0.000 1.266 5084 P CA -1.469 61.485 63.100 -0.244 0.000 0.793 5084 P CB 0.605 32.111 31.700 -0.322 0.000 1.074 5085 P HA 0.282 nan 4.420 nan 0.000 0.275 5085 P C -0.360 176.903 177.300 -0.061 0.000 1.266 5085 P CA -0.167 62.877 63.100 -0.093 0.000 0.793 5085 P CB 0.236 31.880 31.700 -0.094 0.000 1.074 5086 M N -1.283 118.262 119.600 -0.091 0.000 2.436 5086 M HA 0.503 4.983 4.480 -0.001 0.000 0.331 5086 M C -0.944 175.269 176.300 -0.145 0.000 1.135 5086 M CA -0.862 54.373 55.300 -0.108 0.000 0.987 5086 M CB 0.932 33.452 32.600 -0.132 0.000 1.687 5086 M HN 0.089 nan 8.290 nan 0.000 0.445 5087 c N 2.410 120.914 118.600 -0.159 0.000 2.538 5087 c HA 0.137 4.707 4.570 -0.001 0.000 0.408 5087 c C 1.449 175.341 174.090 -0.329 0.000 1.421 5087 c CA -0.212 55.970 56.329 -0.245 0.000 1.642 5087 c CB -1.055 41.333 42.510 -0.204 0.000 2.553 5087 c HN 0.946 nan 8.230 nan 0.000 0.604 5088 T N 2.520 116.750 114.554 -0.540 0.000 2.867 5088 T HA 0.233 4.583 4.350 -0.001 0.000 0.290 5088 T C -0.362 174.063 174.700 -0.457 0.000 1.025 5088 T CA 0.248 61.976 62.100 -0.620 0.000 1.146 5088 T CB 0.084 68.271 68.868 -1.135 0.000 1.024 5088 T HN 0.962 nan 8.240 nan 0.000 0.519 5089 Q N 0.829 120.506 119.800 -0.205 0.000 2.782 5089 Q HA 0.335 4.674 4.340 -0.001 0.000 0.308 5089 Q C -1.641 174.362 176.000 0.005 0.000 0.883 5089 Q CA -1.184 54.598 55.803 -0.035 0.000 0.755 5089 Q CB 0.745 29.465 28.738 -0.029 0.000 1.454 5089 Q HN 0.588 nan 8.270 nan 0.000 0.452 5090 D N 1.201 121.633 120.400 0.054 0.000 2.363 5090 D HA 0.133 4.772 4.640 -0.001 0.000 0.263 5090 D C -1.669 174.634 176.300 0.006 0.000 1.258 5090 D CA -1.306 52.723 54.000 0.048 0.000 0.907 5090 D CB 1.129 41.970 40.800 0.068 0.000 1.107 5090 D HN 0.209 nan 8.370 nan 0.000 0.495 5091 P HA -0.253 nan 4.420 nan 0.000 0.215 5091 P C 1.105 178.389 177.300 -0.027 0.000 1.163 5091 P CA 1.415 64.498 63.100 -0.027 0.000 0.894 5091 P CB 0.147 31.832 31.700 -0.025 0.000 0.791 5092 K N -0.339 120.052 120.400 -0.015 0.000 2.001 5092 K HA -0.148 4.172 4.320 -0.001 0.000 0.214 5092 K C 2.203 178.788 176.600 -0.027 0.000 1.050 5092 K CA 1.914 58.190 56.287 -0.018 0.000 0.934 5092 K CB -1.345 31.150 32.500 -0.008 0.000 0.718 5092 K HN 0.079 nan 8.250 nan 0.000 0.443 5093 A N 1.409 124.219 122.820 -0.017 0.000 1.917 5093 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 5093 A C 2.525 180.083 177.584 -0.043 0.000 1.182 5093 A CA 2.330 54.351 52.037 -0.026 0.000 0.633 5093 A CB -1.321 17.679 19.000 -0.000 0.000 0.819 5093 A HN 0.459 nan 8.150 nan 0.000 0.448 5094 G N -0.928 107.850 108.800 -0.037 0.000 2.480 5094 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.216 5094 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.216 5094 G C 1.639 176.494 174.900 -0.075 0.000 1.200 5094 G CA 1.229 46.297 45.100 -0.053 0.000 0.782 5094 G HN 0.644 nan 8.290 nan 0.000 0.554 5095 Q N -0.567 119.191 119.800 -0.070 0.000 2.135 5095 Q HA -0.080 4.260 4.340 -0.001 0.000 0.204 5095 Q C 2.427 178.381 176.000 -0.076 0.000 0.981 5095 Q CA 1.324 57.081 55.803 -0.075 0.000 0.856 5095 Q CB -0.255 28.446 28.738 -0.060 0.000 0.902 5095 Q HN 0.388 nan 8.270 nan 0.000 0.425 5096 L N 0.110 121.291 121.223 -0.070 0.000 2.046 5096 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 5096 L C 2.052 178.854 176.870 -0.114 0.000 1.077 5096 L CA 1.411 56.208 54.840 -0.071 0.000 0.747 5096 L CB -0.603 41.417 42.059 -0.066 0.000 0.896 5096 L HN 0.390 nan 8.230 nan 0.000 0.432 5097 L N -1.297 119.834 121.223 -0.153 0.000 2.027 5097 L HA -0.147 4.192 4.340 -0.001 0.000 0.206 5097 L C 2.726 179.458 176.870 -0.230 0.000 1.074 5097 L CA 2.007 56.687 54.840 -0.266 0.000 0.745 5097 L CB -0.860 41.060 42.059 -0.231 0.000 0.898 5097 L HN 0.410 nan 8.230 nan 0.000 0.433 5098 S N -0.924 114.685 115.700 -0.151 0.000 2.387 5098 S HA -0.268 4.201 4.470 -0.001 0.000 0.230 5098 S C 1.978 176.497 174.600 -0.135 0.000 1.035 5098 S CA 1.770 59.873 58.200 -0.161 0.000 1.014 5098 S CB -0.310 62.790 63.200 -0.168 0.000 0.836 5098 S HN 0.582 nan 8.310 nan 0.000 0.466 5099 E N 0.111 120.254 120.200 -0.096 0.000 2.051 5099 E HA -0.106 4.244 4.350 -0.001 0.000 0.192 5099 E C 2.075 178.691 176.600 0.026 0.000 0.991 5099 E CA 1.518 57.893 56.400 -0.042 0.000 0.799 5099 E CB -0.181 29.503 29.700 -0.026 0.000 0.748 5099 E HN 0.523 nan 8.360 nan 0.000 0.449 5100 L N -0.404 120.828 121.223 0.016 0.000 2.156 5100 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 5100 L C 1.931 179.025 176.870 0.373 0.000 1.095 5100 L CA 0.492 55.421 54.840 0.149 0.000 0.770 5100 L CB -0.107 41.972 42.059 0.034 0.000 0.914 5100 L HN 0.140 nan 8.230 nan 0.000 0.439 5101 F N -0.697 119.258 119.950 0.008 0.000 2.714 5101 F HA 0.111 4.638 4.527 -0.000 0.000 0.294 5101 F C 1.677 177.235 175.800 -0.402 0.000 1.120 5101 F CA -0.449 57.452 58.000 -0.165 0.000 1.398 5101 F CB -0.786 38.143 39.000 -0.119 0.000 1.120 5101 F HN -0.150 nan 8.300 nan 0.000 0.589 5102 T N 2.211 116.681 114.554 -0.141 0.000 2.946 5102 T HA -0.058 4.291 4.350 -0.001 0.000 0.311 5102 T C 1.215 175.792 174.700 -0.205 0.000 1.063 5102 T CA 0.160 62.082 62.100 -0.297 0.000 1.139 5102 T CB 0.215 68.955 68.868 -0.212 0.000 0.994 5102 T HN 0.442 nan 8.240 nan 0.000 0.547 5103 N N 3.652 122.172 118.700 -0.300 0.000 2.187 5103 N HA 0.068 4.808 4.740 -0.001 0.000 0.212 5103 N C 0.164 175.565 175.510 -0.181 0.000 1.152 5103 N CA -0.410 52.511 53.050 -0.215 0.000 0.872 5103 N CB 0.429 38.775 38.487 -0.235 0.000 1.025 5103 N HN 0.440 nan 8.380 nan 0.000 0.514 5104 R N 0.741 121.138 120.500 -0.171 0.000 2.560 5104 R HA 0.160 4.499 4.340 -0.001 0.000 0.270 5104 R C 1.173 177.419 176.300 -0.090 0.000 1.074 5104 R CA -0.512 55.518 56.100 -0.117 0.000 1.140 5104 R CB 1.227 31.453 30.300 -0.123 0.000 1.073 5104 R HN -0.076 nan 8.270 nan 0.000 0.527 5105 K N 1.149 121.519 120.400 -0.051 0.000 2.097 5105 K HA -0.163 4.157 4.320 -0.001 0.000 0.206 5105 K C 0.041 176.624 176.600 -0.028 0.000 1.049 5105 K CA 1.632 57.901 56.287 -0.030 0.000 0.933 5105 K CB 0.113 32.614 32.500 0.001 0.000 0.717 5105 K HN 0.490 nan 8.250 nan 0.000 0.442 5106 E N -0.464 119.715 120.200 -0.035 0.000 2.256 5106 E HA 0.239 4.589 4.350 -0.001 0.000 0.267 5106 E C -1.535 175.021 176.600 -0.073 0.000 0.892 5106 E CA -0.733 55.644 56.400 -0.039 0.000 0.775 5106 E CB 1.167 30.853 29.700 -0.023 0.000 1.207 5106 E HN 0.265 nan 8.360 nan 0.000 0.420 5107 N N 3.824 122.479 118.700 -0.075 0.000 2.419 5107 N HA 0.244 4.983 4.740 -0.001 0.000 0.264 5107 N C -0.635 174.801 175.510 -0.123 0.000 1.031 5107 N CA -0.463 52.519 53.050 -0.114 0.000 0.951 5107 N CB 0.497 38.927 38.487 -0.096 0.000 1.101 5107 N HN 0.420 nan 8.380 nan 0.000 0.488 5108 I N 5.812 126.271 120.570 -0.185 0.000 2.436 5108 I HA 0.173 4.342 4.170 -0.001 0.000 0.289 5108 I C -1.591 174.426 176.117 -0.166 0.000 1.083 5108 I CA -1.590 59.595 61.300 -0.192 0.000 1.372 5108 I CB 0.567 38.347 38.000 -0.367 0.000 1.408 5108 I HN 0.396 nan 8.210 nan 0.000 0.516 5109 P HA 0.253 nan 4.420 nan 0.000 0.272 5109 P C -0.757 176.489 177.300 -0.091 0.000 1.223 5109 P CA -0.043 63.003 63.100 -0.089 0.000 0.784 5109 P CB 1.266 32.930 31.700 -0.060 0.000 0.923 5110 L N 0.879 122.047 121.223 -0.091 0.000 2.257 5110 L HA 0.568 4.908 4.340 -0.001 0.000 0.257 5110 L C 0.200 177.025 176.870 -0.075 0.000 1.033 5110 L CA -1.251 53.538 54.840 -0.085 0.000 0.835 5110 L CB 1.524 43.520 42.059 -0.105 0.000 1.398 5110 L HN 0.156 nan 8.230 nan 0.000 0.429 5111 K N 0.857 121.211 120.400 -0.076 0.000 2.207 5111 K HA 0.647 4.966 4.320 -0.001 0.000 0.255 5111 K C -1.062 175.481 176.600 -0.096 0.000 0.941 5111 K CA -0.306 55.934 56.287 -0.079 0.000 0.825 5111 K CB 1.483 33.939 32.500 -0.074 0.000 1.119 5111 K HN 0.330 nan 8.250 nan 0.000 0.430 5112 L N 1.060 122.221 121.223 -0.104 0.000 2.375 5112 L HA 0.614 4.953 4.340 -0.001 0.000 0.271 5112 L C 0.178 176.957 176.870 -0.152 0.000 1.107 5112 L CA -0.502 54.254 54.840 -0.141 0.000 0.806 5112 L CB 1.521 43.492 42.059 -0.147 0.000 1.146 5112 L HN 0.569 nan 8.230 nan 0.000 0.447 5113 S N 0.095 115.675 115.700 -0.199 0.000 2.586 5113 S HA 0.179 4.649 4.470 -0.001 0.000 0.277 5113 S C 0.058 174.499 174.600 -0.265 0.000 1.131 5113 S CA -0.635 57.451 58.200 -0.191 0.000 0.848 5113 S CB 1.453 64.585 63.200 -0.114 0.000 1.091 5113 S HN 0.757 nan 8.310 nan 0.000 0.453 5114 E N 0.924 120.967 120.200 -0.263 0.000 2.216 5114 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 5114 E C -0.241 176.249 176.600 -0.183 0.000 0.988 5114 E CA 0.491 56.709 56.400 -0.302 0.000 0.834 5114 E CB 0.022 29.602 29.700 -0.201 0.000 0.772 5114 E HN 0.581 nan 8.360 nan 0.000 0.479 5115 D N 0.682 121.015 120.400 -0.111 0.000 2.455 5115 D HA -0.018 4.621 4.640 -0.001 0.000 0.234 5115 D C 0.221 176.562 176.300 0.069 0.000 1.224 5115 D CA -0.225 53.751 54.000 -0.039 0.000 0.999 5115 D CB -0.046 40.762 40.800 0.014 0.000 1.072 5115 D HN 0.171 nan 8.370 nan 0.000 0.514 5116 c N 2.393 120.972 118.600 -0.035 0.000 3.911 5116 c HA 0.353 4.923 4.570 -0.001 0.000 0.318 5116 c C 0.884 174.907 174.090 -0.111 0.000 1.643 5116 c CA -0.646 55.720 56.329 0.061 0.000 1.845 5116 c CB -1.256 41.223 42.510 -0.052 0.000 2.981 5116 c HN 0.460 nan 8.230 nan 0.000 0.656 5117 L N 2.506 123.416 121.223 -0.522 0.000 2.436 5117 L HA 0.276 4.616 4.340 -0.001 0.000 0.244 5117 L C -0.489 175.687 176.870 -1.156 0.000 1.396 5117 L CA 0.541 54.894 54.840 -0.811 0.000 1.217 5117 L CB -0.949 40.516 42.059 -0.990 0.000 1.420 5117 L HN 0.430 nan 8.230 nan 0.000 0.434 5118 Y N 1.390 121.580 120.300 -0.184 0.000 2.675 5118 Y HA 0.750 5.299 4.550 -0.001 0.000 0.328 5118 Y C -0.041 175.956 175.900 0.162 0.000 1.092 5118 Y CA -1.271 56.795 58.100 -0.056 0.000 1.190 5118 Y CB 1.542 39.963 38.460 -0.066 0.000 1.350 5118 Y HN 0.093 nan 8.280 nan 0.000 0.525 5119 L N -0.564 120.805 121.223 0.244 0.000 2.545 5119 L HA 0.622 4.961 4.340 -0.001 0.000 0.258 5119 L C -1.763 175.161 176.870 0.090 0.000 0.942 5119 L CA -1.359 53.579 54.840 0.164 0.000 0.855 5119 L CB 1.444 43.540 42.059 0.062 0.000 1.374 5119 L HN 0.414 nan 8.230 nan 0.000 0.411 5120 N N 2.419 121.208 118.700 0.148 0.000 2.456 5120 N HA 0.758 5.497 4.740 -0.001 0.000 0.296 5120 N C -0.986 174.592 175.510 0.114 0.000 1.102 5120 N CA -0.232 52.886 53.050 0.113 0.000 0.924 5120 N CB 2.447 41.056 38.487 0.205 0.000 1.186 5120 N HN 0.719 nan 8.380 nan 0.000 0.492 5121 I N 1.456 122.024 120.570 -0.002 0.000 2.509 5121 I HA 0.296 4.465 4.170 -0.001 0.000 0.293 5121 I C -1.131 174.995 176.117 0.015 0.000 1.020 5121 I CA -0.772 60.580 61.300 0.088 0.000 1.088 5121 I CB 1.338 39.323 38.000 -0.024 0.000 1.267 5121 I HN 0.338 nan 8.210 nan 0.000 0.430 5122 Y N 3.240 123.685 120.300 0.242 0.000 2.526 5122 Y HA 0.309 4.858 4.550 -0.001 0.000 0.328 5122 Y C 0.325 176.367 175.900 0.236 0.000 0.995 5122 Y CA -0.708 57.529 58.100 0.228 0.000 1.304 5122 Y CB 1.811 40.378 38.460 0.179 0.000 1.096 5122 Y HN 0.368 nan 8.280 nan 0.000 0.499 5123 T N 4.976 119.767 114.554 0.395 0.000 2.756 5123 T HA 0.306 4.655 4.350 -0.001 0.000 0.290 5123 T C -1.919 172.956 174.700 0.293 0.000 0.985 5123 T CA -2.243 60.067 62.100 0.349 0.000 0.955 5123 T CB 1.087 70.209 68.868 0.424 0.000 0.930 5123 T HN 0.327 nan 8.240 nan 0.000 0.451 5124 P HA 0.252 nan 4.420 nan 0.000 0.255 5124 P C 0.458 177.861 177.300 0.172 0.000 1.248 5124 P CA -0.137 63.068 63.100 0.175 0.000 0.807 5124 P CB 0.059 31.819 31.700 0.099 0.000 1.150 5125 A N 0.962 123.894 122.820 0.187 0.000 2.409 5125 A HA 0.102 4.422 4.320 -0.001 0.000 0.246 5125 A C 0.213 177.903 177.584 0.177 0.000 1.099 5125 A CA 0.119 52.253 52.037 0.161 0.000 0.789 5125 A CB -0.382 18.713 19.000 0.158 0.000 1.053 5125 A HN -0.035 nan 8.150 nan 0.000 0.503 5126 D N 1.042 121.524 120.400 0.136 0.000 2.518 5126 D HA 0.344 4.983 4.640 -0.001 0.000 0.230 5126 D C 1.095 177.470 176.300 0.125 0.000 1.138 5126 D CA -0.178 53.902 54.000 0.134 0.000 0.964 5126 D CB -0.366 40.485 40.800 0.086 0.000 1.011 5126 D HN 0.418 nan 8.370 nan 0.000 0.517 5127 L N 1.645 122.962 121.223 0.157 0.000 2.369 5127 L HA -0.267 4.072 4.340 -0.001 0.000 0.220 5127 L C 2.276 179.190 176.870 0.073 0.000 1.119 5127 L CA 1.716 56.620 54.840 0.106 0.000 0.780 5127 L CB -0.912 41.215 42.059 0.113 0.000 0.906 5127 L HN 0.439 nan 8.230 nan 0.000 0.442 5128 T N -3.468 111.138 114.554 0.086 0.000 3.023 5128 T HA -0.017 4.333 4.350 -0.001 0.000 0.266 5128 T C 0.793 175.518 174.700 0.042 0.000 1.093 5128 T CA 0.414 62.550 62.100 0.060 0.000 1.129 5128 T CB -0.050 68.855 68.868 0.062 0.000 0.899 5128 T HN 0.322 nan 8.240 nan 0.000 0.491 5129 K N 0.812 121.240 120.400 0.046 0.000 2.238 5129 K HA 0.511 4.831 4.320 -0.001 0.000 0.239 5129 K C -0.564 176.057 176.600 0.035 0.000 0.987 5129 K CA -1.074 55.234 56.287 0.036 0.000 0.857 5129 K CB 1.703 34.226 32.500 0.037 0.000 1.154 5129 K HN -0.003 nan 8.250 nan 0.000 0.439 5130 K N 1.753 122.170 120.400 0.027 0.000 2.298 5130 K HA 0.113 4.432 4.320 -0.001 0.000 0.280 5130 K C -0.815 175.807 176.600 0.036 0.000 1.032 5130 K CA -0.091 56.212 56.287 0.026 0.000 0.958 5130 K CB 0.462 32.972 32.500 0.016 0.000 0.978 5130 K HN 0.515 nan 8.250 nan 0.000 0.472 5131 N N 2.715 121.441 118.700 0.045 0.000 2.329 5131 N HA 0.370 5.109 4.740 -0.001 0.000 0.282 5131 N C -1.332 174.212 175.510 0.056 0.000 1.198 5131 N CA -0.736 52.348 53.050 0.055 0.000 0.790 5131 N CB 1.775 40.308 38.487 0.077 0.000 1.579 5131 N HN 0.453 nan 8.380 nan 0.000 0.475 5132 R N 1.764 122.296 120.500 0.053 0.000 2.687 5132 R HA 0.376 4.716 4.340 -0.001 0.000 0.264 5132 R C -0.776 175.556 176.300 0.053 0.000 1.715 5132 R CA -0.267 55.863 56.100 0.050 0.000 1.633 5132 R CB 0.145 30.462 30.300 0.030 0.000 1.353 5132 R HN 0.515 nan 8.270 nan 0.000 0.653 5133 L N 2.579 123.845 121.223 0.073 0.000 2.379 5133 L HA 0.517 4.856 4.340 -0.001 0.000 0.269 5133 L C -1.693 175.222 176.870 0.074 0.000 1.084 5133 L CA -1.992 52.891 54.840 0.072 0.000 0.802 5133 L CB 0.848 42.960 42.059 0.089 0.000 1.175 5133 L HN 0.019 nan 8.230 nan 0.000 0.448 5134 P HA 0.035 nan 4.420 nan 0.000 0.269 5134 P C -0.886 176.464 177.300 0.084 0.000 1.209 5134 P CA -0.095 63.042 63.100 0.060 0.000 0.776 5134 P CB 1.014 32.735 31.700 0.035 0.000 0.876 5135 V N 4.746 124.719 119.914 0.097 0.000 2.398 5135 V HA 0.353 4.472 4.120 -0.001 0.000 0.286 5135 V C 0.582 176.744 176.094 0.114 0.000 1.026 5135 V CA -0.320 62.054 62.300 0.123 0.000 0.868 5135 V CB 1.058 32.963 31.823 0.136 0.000 0.982 5135 V HN 0.495 nan 8.190 nan 0.000 0.443 5136 M N 5.032 124.715 119.600 0.138 0.000 2.072 5136 M HA 0.463 4.942 4.480 -0.001 0.000 0.331 5136 M C -0.959 175.579 176.300 0.397 0.000 1.004 5136 M CA -0.534 54.842 55.300 0.127 0.000 0.952 5136 M CB 1.882 34.429 32.600 -0.089 0.000 1.511 5136 M HN 0.364 nan 8.290 nan 0.000 0.422 5137 V N 3.926 124.087 119.914 0.412 0.000 2.383 5137 V HA 0.283 4.403 4.120 -0.001 0.000 0.275 5137 V C -0.649 175.815 176.094 0.617 0.000 1.036 5137 V CA -0.429 62.124 62.300 0.422 0.000 0.889 5137 V CB 1.110 33.056 31.823 0.205 0.000 0.985 5137 V HN 0.817 nan 8.190 nan 0.000 0.459 5138 W N 7.189 128.644 121.300 0.258 0.000 2.433 5138 W HA 0.628 5.287 4.660 -0.001 0.000 0.315 5138 W C -1.319 175.147 176.519 -0.089 0.000 1.087 5138 W CA -0.932 56.327 57.345 -0.143 0.000 1.205 5138 W CB 1.422 30.722 29.460 -0.267 0.000 1.288 5138 W HN 0.417 nan 8.180 nan 0.000 0.504 5139 I N 7.679 127.656 120.570 -0.989 0.000 2.390 5139 I HA 0.053 4.222 4.170 -0.001 0.000 0.283 5139 I C 0.901 176.363 176.117 -1.092 0.000 1.016 5139 I CA -0.819 60.053 61.300 -0.713 0.000 1.151 5139 I CB 0.876 38.552 38.000 -0.540 0.000 1.293 5139 I HN 0.369 nan 8.210 nan 0.000 0.458 5140 H N 4.954 123.687 119.070 -0.562 0.000 2.871 5140 H HA 0.307 4.863 4.556 -0.001 0.000 0.355 5140 H C 0.100 175.426 175.328 -0.003 0.000 1.092 5140 H CA -0.299 55.603 56.048 -0.245 0.000 1.420 5140 H CB 0.834 30.736 29.762 0.234 0.000 1.400 5140 H HN 0.630 nan 8.280 nan 0.000 0.604 5141 G N -0.600 108.278 108.800 0.129 0.000 2.525 5141 G HA2 0.447 4.407 3.960 -0.001 0.000 0.287 5141 G HA3 0.447 4.407 3.960 -0.001 0.000 0.287 5141 G C 0.502 175.619 174.900 0.363 0.000 1.350 5141 G CA -0.573 44.635 45.100 0.180 0.000 1.039 5141 G HN 1.179 nan 8.290 nan 0.000 0.513 5142 G N -3.148 105.830 108.800 0.297 0.000 2.789 5142 G HA2 0.406 4.365 3.960 -0.001 0.000 0.218 5142 G HA3 0.406 4.365 3.960 -0.001 0.000 0.218 5142 G C 1.092 176.074 174.900 0.137 0.000 0.980 5142 G CA 0.827 46.075 45.100 0.246 0.000 0.848 5142 G HN 2.331 nan 8.290 nan 0.000 0.591 5143 G N 0.134 109.001 108.800 0.111 0.000 2.168 5143 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.263 5143 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.263 5143 G C 1.159 176.021 174.900 -0.062 0.000 0.977 5143 G CA 0.941 46.057 45.100 0.027 0.000 0.659 5143 G HN 1.708 nan 8.290 nan 0.000 0.533 5144 L N -3.231 117.983 121.223 -0.014 0.000 5.044 5144 L HA -0.258 4.081 4.340 -0.001 0.000 0.412 5144 L C 2.113 178.990 176.870 0.012 0.000 0.971 5144 L CA 1.688 56.498 54.840 -0.050 0.000 1.411 5144 L CB -1.647 40.072 42.059 -0.566 0.000 1.884 5144 L HN 0.393 nan 8.230 nan 0.000 0.631 5145 M N -0.783 118.825 119.600 0.013 0.000 2.545 5145 M HA 0.313 4.792 4.480 -0.001 0.000 0.264 5145 M C 0.887 177.231 176.300 0.074 0.000 1.155 5145 M CA 1.411 56.732 55.300 0.034 0.000 1.162 5145 M CB 0.419 33.017 32.600 -0.004 0.000 1.330 5145 M HN 0.286 nan 8.290 nan 0.000 0.479 5146 V N -3.152 116.812 119.914 0.083 0.000 3.202 5146 V HA 1.026 5.146 4.120 -0.001 0.000 0.306 5146 V C -0.475 175.710 176.094 0.151 0.000 1.283 5146 V CA -0.205 62.140 62.300 0.075 0.000 1.065 5146 V CB 1.389 33.236 31.823 0.040 0.000 1.079 5146 V HN 0.493 nan 8.190 nan 0.000 0.448 5147 G N -0.601 108.247 108.800 0.079 0.000 2.340 5147 G HA2 0.659 4.618 3.960 -0.001 0.000 0.527 5147 G HA3 0.659 4.618 3.960 -0.001 0.000 0.527 5147 G C -0.738 173.916 174.900 -0.411 0.000 1.381 5147 G CA -0.136 45.002 45.100 0.064 0.000 1.001 5147 G HN 2.674 nan 8.290 nan 0.000 0.626 5148 A N -1.092 121.300 122.820 -0.712 0.000 2.594 5148 A HA 1.008 5.328 4.320 -0.001 0.000 0.296 5148 A C 0.702 178.106 177.584 -0.300 0.000 1.061 5148 A CA 0.626 52.327 52.037 -0.560 0.000 0.689 5148 A CB 1.003 19.854 19.000 -0.249 0.000 1.280 5148 A HN 2.536 nan 8.150 nan 0.000 0.406 5149 A N 0.628 123.399 122.820 -0.083 0.000 1.929 5149 A HA 0.109 4.429 4.320 -0.001 0.000 0.216 5149 A C 2.034 179.750 177.584 0.221 0.000 1.176 5149 A CA 2.287 54.462 52.037 0.230 0.000 0.628 5149 A CB -0.686 18.476 19.000 0.271 0.000 0.816 5149 A HN 1.147 nan 8.150 nan 0.000 0.444 5150 S N -0.167 115.577 115.700 0.074 0.000 2.440 5150 S HA -0.126 4.343 4.470 -0.001 0.000 0.238 5150 S C 1.841 176.333 174.600 -0.181 0.000 1.010 5150 S CA 1.571 59.761 58.200 -0.016 0.000 0.972 5150 S CB -0.501 62.625 63.200 -0.122 0.000 0.774 5150 S HN 0.695 nan 8.310 nan 0.000 0.501 5151 T N 0.768 115.190 114.554 -0.221 0.000 2.833 5151 T HA -0.077 4.272 4.350 -0.001 0.000 0.269 5151 T C -0.113 174.164 174.700 -0.705 0.000 1.054 5151 T CA 1.057 62.859 62.100 -0.498 0.000 1.135 5151 T CB -0.236 68.227 68.868 -0.675 0.000 0.869 5151 T HN 0.415 nan 8.240 nan 0.000 0.466 5152 Y N 1.653 121.755 120.300 -0.329 0.000 2.369 5152 Y HA 0.432 4.982 4.550 -0.001 0.000 0.337 5152 Y C -0.013 175.592 175.900 -0.492 0.000 0.961 5152 Y CA -2.369 55.350 58.100 -0.635 0.000 1.186 5152 Y CB 0.418 38.189 38.460 -1.150 0.000 1.139 5152 Y HN -0.100 nan 8.280 nan 0.000 0.494 5153 D N 2.517 122.717 120.400 -0.333 0.000 2.325 5153 D HA 0.148 4.788 4.640 -0.001 0.000 0.251 5153 D C 0.933 176.958 176.300 -0.457 0.000 1.196 5153 D CA -0.076 53.758 54.000 -0.277 0.000 0.866 5153 D CB 1.501 42.234 40.800 -0.111 0.000 1.101 5153 D HN 0.851 nan 8.370 nan 0.000 0.476 5154 G N 3.818 111.973 108.800 -1.075 0.000 3.314 5154 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.238 5154 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.238 5154 G C 1.470 176.112 174.900 -0.430 0.000 1.184 5154 G CA -0.264 44.405 45.100 -0.718 0.000 0.806 5154 G HN 0.548 nan 8.290 nan 0.000 0.536 5155 L N 0.420 121.480 121.223 -0.273 0.000 1.955 5155 L HA -0.160 4.180 4.340 -0.001 0.000 0.213 5155 L C 3.224 180.090 176.870 -0.008 0.000 1.072 5155 L CA 1.841 56.688 54.840 0.011 0.000 0.755 5155 L CB -0.433 41.679 42.059 0.088 0.000 0.888 5155 L HN 0.352 nan 8.230 nan 0.000 0.432 5156 A N -0.263 122.563 122.820 0.009 0.000 1.884 5156 A HA -0.311 4.009 4.320 -0.001 0.000 0.219 5156 A C 2.115 179.674 177.584 -0.041 0.000 1.197 5156 A CA 2.303 54.353 52.037 0.021 0.000 0.637 5156 A CB -1.035 18.003 19.000 0.063 0.000 0.827 5156 A HN 0.471 nan 8.150 nan 0.000 0.450 5157 L N -0.327 120.868 121.223 -0.047 0.000 1.994 5157 L HA -0.065 4.275 4.340 -0.001 0.000 0.208 5157 L C 2.703 179.550 176.870 -0.038 0.000 1.071 5157 L CA 2.514 57.317 54.840 -0.062 0.000 0.745 5157 L CB -1.021 40.997 42.059 -0.068 0.000 0.892 5157 L HN 0.369 nan 8.230 nan 0.000 0.431 5158 A N -0.546 122.272 122.820 -0.003 0.000 1.917 5158 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 5158 A C 2.400 179.954 177.584 -0.050 0.000 1.182 5158 A CA 2.263 54.321 52.037 0.036 0.000 0.633 5158 A CB -1.186 17.894 19.000 0.135 0.000 0.819 5158 A HN 0.644 nan 8.150 nan 0.000 0.448 5159 A N -1.751 120.966 122.820 -0.172 0.000 1.855 5159 A HA -0.056 4.264 4.320 -0.001 0.000 0.213 5159 A C 2.074 179.220 177.584 -0.730 0.000 1.195 5159 A CA 1.198 52.962 52.037 -0.454 0.000 0.610 5159 A CB -0.875 17.746 19.000 -0.633 0.000 0.837 5159 A HN 0.638 nan 8.150 nan 0.000 0.444 5160 H N -0.443 118.203 119.070 -0.708 0.000 2.319 5160 H HA -0.071 4.484 4.556 -0.001 0.000 0.299 5160 H C 1.251 176.472 175.328 -0.177 0.000 1.092 5160 H CA 1.722 57.475 56.048 -0.492 0.000 1.302 5160 H CB 0.205 29.719 29.762 -0.414 0.000 1.373 5160 H HN 0.391 nan 8.280 nan 0.000 0.497 5161 E N 0.277 120.464 120.200 -0.021 0.000 2.481 5161 E HA -0.029 4.321 4.350 -0.001 0.000 0.198 5161 E C 0.206 176.812 176.600 0.010 0.000 1.027 5161 E CA -0.209 56.199 56.400 0.014 0.000 0.900 5161 E CB -0.084 29.630 29.700 0.022 0.000 0.993 5161 E HN 0.329 nan 8.360 nan 0.000 0.482 5162 N N 0.931 119.618 118.700 -0.021 0.000 2.696 5162 N HA -0.160 4.579 4.740 -0.001 0.000 0.256 5162 N C -0.476 175.060 175.510 0.044 0.000 1.031 5162 N CA 0.825 53.881 53.050 0.010 0.000 0.730 5162 N CB -1.182 37.322 38.487 0.028 0.000 0.894 5162 N HN 0.056 nan 8.380 nan 0.000 0.544 5163 V N -2.924 117.022 119.914 0.053 0.000 3.126 5163 V HA 0.780 4.899 4.120 -0.001 0.000 0.314 5163 V C 0.460 176.624 176.094 0.116 0.000 1.138 5163 V CA -0.911 61.434 62.300 0.075 0.000 1.034 5163 V CB 2.304 34.162 31.823 0.057 0.000 1.075 5163 V HN -0.113 nan 8.190 nan 0.000 0.442 5164 V N 2.148 122.147 119.914 0.141 0.000 2.364 5164 V HA 0.407 4.527 4.120 -0.001 0.000 0.272 5164 V C 0.056 176.282 176.094 0.220 0.000 1.036 5164 V CA -0.338 62.078 62.300 0.194 0.000 0.880 5164 V CB 1.220 33.161 31.823 0.197 0.000 0.991 5164 V HN 0.720 nan 8.190 nan 0.000 0.460 5165 V N 6.347 126.428 119.914 0.278 0.000 2.432 5165 V HA 0.425 4.544 4.120 -0.001 0.000 0.275 5165 V C -0.014 176.322 176.094 0.403 0.000 1.043 5165 V CA -0.366 62.137 62.300 0.338 0.000 0.925 5165 V CB 1.732 33.733 31.823 0.298 0.000 0.985 5165 V HN 0.596 nan 8.190 nan 0.000 0.466 5166 V N 4.204 124.351 119.914 0.387 0.000 2.487 5166 V HA 0.508 4.627 4.120 -0.001 0.000 0.298 5166 V C 0.135 176.452 176.094 0.371 0.000 1.028 5166 V CA -0.540 61.958 62.300 0.331 0.000 0.860 5166 V CB 2.254 34.207 31.823 0.217 0.000 0.991 5166 V HN 0.994 nan 8.190 nan 0.000 0.427 5167 T N 3.591 118.365 114.554 0.367 0.000 2.758 5167 T HA 0.796 5.146 4.350 -0.001 0.000 0.285 5167 T C -0.416 174.456 174.700 0.288 0.000 0.981 5167 T CA -0.473 61.853 62.100 0.376 0.000 0.965 5167 T CB 1.268 70.377 68.868 0.402 0.000 0.927 5167 T HN 0.662 nan 8.240 nan 0.000 0.448 5168 I N 0.194 120.925 120.570 0.268 0.000 2.863 5168 I HA 0.693 4.862 4.170 -0.001 0.000 0.311 5168 I C -0.644 175.703 176.117 0.383 0.000 1.026 5168 I CA -1.221 60.227 61.300 0.247 0.000 1.077 5168 I CB 1.997 40.051 38.000 0.089 0.000 1.262 5168 I HN 0.543 nan 8.210 nan 0.000 0.461 5169 Q N 2.122 122.186 119.800 0.440 0.000 2.399 5169 Q HA 0.591 4.931 4.340 -0.001 0.000 0.276 5169 Q C -1.893 174.419 176.000 0.520 0.000 1.098 5169 Q CA -0.817 55.233 55.803 0.413 0.000 0.827 5169 Q CB 2.797 31.671 28.738 0.226 0.000 1.386 5169 Q HN 0.729 nan 8.270 nan 0.000 0.443 5170 Y N -2.715 117.751 120.300 0.276 0.000 2.609 5170 Y HA 0.537 5.087 4.550 -0.001 0.000 0.336 5170 Y C -0.872 175.121 175.900 0.155 0.000 1.129 5170 Y CA -1.466 56.759 58.100 0.208 0.000 1.040 5170 Y CB 0.713 39.272 38.460 0.165 0.000 1.310 5170 Y HN 0.422 nan 8.280 nan 0.000 0.460 5171 R N 1.548 122.143 120.500 0.159 0.000 2.756 5171 R HA 0.451 4.790 4.340 -0.001 0.000 0.264 5171 R C -0.989 175.405 176.300 0.155 0.000 1.026 5171 R CA 0.132 56.287 56.100 0.093 0.000 1.121 5171 R CB 0.214 30.596 30.300 0.137 0.000 0.999 5171 R HN 0.706 nan 8.270 nan 0.000 0.449 5172 L N 0.500 121.835 121.223 0.187 0.000 2.309 5172 L HA 0.508 4.848 4.340 -0.001 0.000 0.261 5172 L C 1.003 178.142 176.870 0.448 0.000 1.021 5172 L CA -0.478 54.550 54.840 0.313 0.000 0.823 5172 L CB 1.889 44.021 42.059 0.122 0.000 1.366 5172 L HN 0.900 nan 8.230 nan 0.000 0.423 5173 G N 0.585 109.628 108.800 0.404 0.000 2.594 5173 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.297 5173 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.297 5173 G C 0.825 175.958 174.900 0.390 0.000 1.273 5173 G CA 0.542 45.824 45.100 0.303 0.000 0.974 5173 G HN 0.655 nan 8.290 nan 0.000 0.552 5174 I N -0.570 120.167 120.570 0.278 0.000 2.151 5174 I HA -0.223 3.947 4.170 -0.001 0.000 0.243 5174 I C 2.808 179.141 176.117 0.359 0.000 1.080 5174 I CA 2.428 63.844 61.300 0.193 0.000 1.339 5174 I CB -0.360 37.548 38.000 -0.153 0.000 1.039 5174 I HN 0.552 nan 8.210 nan 0.000 0.409 5175 W N 0.785 122.255 121.300 0.284 0.000 2.325 5175 W HA -0.138 4.521 4.660 -0.002 0.000 0.299 5175 W C 2.329 178.994 176.519 0.243 0.000 1.215 5175 W CA 1.431 58.878 57.345 0.170 0.000 1.244 5175 W CB -0.768 28.693 29.460 0.002 0.000 1.140 5175 W HN 0.262 nan 8.180 nan 0.000 0.523 5176 G N -2.642 106.411 108.800 0.422 0.000 2.939 5176 G HA2 0.080 4.039 3.960 -0.001 0.000 0.216 5176 G HA3 0.080 4.039 3.960 -0.001 0.000 0.216 5176 G C 0.575 175.159 174.900 -0.526 0.000 1.125 5176 G CA -0.043 45.071 45.100 0.023 0.000 0.766 5176 G HN 0.127 nan 8.290 nan 0.000 0.541 5177 F N -0.708 119.428 119.950 0.310 0.000 2.825 5177 F HA 0.421 4.948 4.527 -0.001 0.000 0.322 5177 F C 0.123 175.986 175.800 0.105 0.000 1.127 5177 F CA -1.508 56.548 58.000 0.093 0.000 1.164 5177 F CB 0.383 39.378 39.000 -0.008 0.000 1.101 5177 F HN -0.002 nan 8.300 nan 0.000 0.529 5178 F N 2.719 122.798 119.950 0.215 0.000 2.495 5178 F HA 0.475 5.002 4.527 -0.000 0.000 0.365 5178 F C 0.450 176.266 175.800 0.028 0.000 1.090 5178 F CA -0.267 57.772 58.000 0.065 0.000 1.235 5178 F CB 0.510 39.443 39.000 -0.111 0.000 1.119 5178 F HN 0.002 nan 8.300 nan 0.000 0.562 5179 S N 2.256 117.471 115.700 -0.809 0.000 2.550 5179 S HA 0.417 4.887 4.470 -0.001 0.000 0.270 5179 S C -0.154 174.017 174.600 -0.715 0.000 1.145 5179 S CA -0.094 57.756 58.200 -0.583 0.000 0.852 5179 S CB 1.478 64.497 63.200 -0.301 0.000 1.119 5179 S HN 0.792 nan 8.310 nan 0.000 0.465 5180 T N -2.199 112.122 114.554 -0.388 0.000 3.085 5180 T HA 0.526 4.875 4.350 -0.001 0.000 0.264 5180 T C 1.368 175.993 174.700 -0.125 0.000 1.019 5180 T CA 0.410 62.365 62.100 -0.242 0.000 0.910 5180 T CB -0.262 68.558 68.868 -0.080 0.000 1.059 5180 T HN 2.315 nan 8.240 nan 0.000 0.542 5181 G N 2.364 111.086 108.800 -0.130 0.000 2.176 5181 G HA2 -0.095 3.865 3.960 -0.001 0.000 0.252 5181 G HA3 -0.095 3.865 3.960 -0.001 0.000 0.252 5181 G C -0.407 174.464 174.900 -0.048 0.000 1.024 5181 G CA 0.254 45.302 45.100 -0.087 0.000 0.755 5181 G HN 1.055 nan 8.290 nan 0.000 0.507 5182 D N -2.942 117.440 120.400 -0.031 0.000 2.713 5182 D HA 0.348 4.988 4.640 -0.001 0.000 0.306 5182 D C 1.223 177.501 176.300 -0.036 0.000 1.299 5182 D CA -0.051 53.936 54.000 -0.022 0.000 0.823 5182 D CB -0.279 40.532 40.800 0.018 0.000 1.353 5182 D HN 0.167 nan 8.370 nan 0.000 0.447 5183 E N 0.258 120.390 120.200 -0.113 0.000 2.169 5183 E HA -0.332 4.017 4.350 -0.001 0.000 0.202 5183 E C 1.043 177.570 176.600 -0.122 0.000 1.016 5183 E CA 1.674 57.983 56.400 -0.151 0.000 0.817 5183 E CB -0.924 28.631 29.700 -0.241 0.000 0.736 5183 E HN 0.620 nan 8.360 nan 0.000 0.462 5184 H N 0.319 119.441 119.070 0.086 0.000 2.518 5184 H HA 0.112 4.668 4.556 -0.001 0.000 0.289 5184 H C 0.529 175.967 175.328 0.184 0.000 1.051 5184 H CA 1.358 57.475 56.048 0.115 0.000 1.280 5184 H CB 0.188 30.003 29.762 0.089 0.000 1.380 5184 H HN 0.179 nan 8.280 nan 0.000 0.566 5185 S N -0.452 115.414 115.700 0.278 0.000 2.862 5185 S HA 0.153 4.622 4.470 -0.001 0.000 0.148 5185 S C 0.814 175.528 174.600 0.190 0.000 0.829 5185 S CA -0.616 57.819 58.200 0.390 0.000 0.991 5185 S CB 0.102 63.525 63.200 0.372 0.000 1.607 5185 S HN 0.182 nan 8.310 nan 0.000 0.474 5186 R N 1.552 122.130 120.500 0.129 0.000 2.113 5186 R HA 0.117 4.456 4.340 -0.001 0.000 0.244 5186 R C 1.430 177.529 176.300 -0.335 0.000 1.142 5186 R CA 1.438 57.465 56.100 -0.122 0.000 0.953 5186 R CB -0.364 29.852 30.300 -0.139 0.000 0.860 5186 R HN 0.957 nan 8.270 nan 0.000 0.438 5187 G N -0.598 107.761 108.800 -0.734 0.000 2.498 5187 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.651 5187 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.651 5187 G C -0.733 173.486 174.900 -1.136 0.000 1.284 5187 G CA -0.415 44.156 45.100 -0.882 0.000 0.950 5187 G HN 0.278 nan 8.290 nan 0.000 0.511 5188 N N -1.368 116.895 118.700 -0.730 0.000 2.780 5188 N HA -0.176 4.563 4.740 -0.001 0.000 0.248 5188 N C 1.040 176.193 175.510 -0.594 0.000 1.102 5188 N CA 1.807 54.561 53.050 -0.493 0.000 0.697 5188 N CB -1.574 36.796 38.487 -0.196 0.000 1.028 5188 N HN 0.720 nan 8.380 nan 0.000 0.554 5189 W N 0.316 121.423 121.300 -0.321 0.000 2.374 5189 W HA -0.016 4.644 4.660 -0.001 0.000 0.288 5189 W C 2.397 178.766 176.519 -0.250 0.000 1.218 5189 W CA 0.612 57.835 57.345 -0.203 0.000 1.245 5189 W CB -0.371 29.024 29.460 -0.109 0.000 1.126 5189 W HN 0.326 nan 8.180 nan 0.000 0.545 5190 G N -0.073 108.465 108.800 -0.438 0.000 2.421 5190 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 5190 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 5190 G C 1.185 176.042 174.900 -0.071 0.000 1.171 5190 G CA 1.176 46.162 45.100 -0.189 0.000 0.775 5190 G HN 0.268 nan 8.290 nan 0.000 0.543 5191 H N 0.510 119.542 119.070 -0.063 0.000 2.421 5191 H HA 0.071 4.627 4.556 -0.001 0.000 0.298 5191 H C 2.668 177.971 175.328 -0.041 0.000 1.087 5191 H CA 0.737 56.734 56.048 -0.084 0.000 1.330 5191 H CB -0.290 29.435 29.762 -0.062 0.000 1.388 5191 H HN 0.278 nan 8.280 nan 0.000 0.526 5192 L N 0.277 121.574 121.223 0.124 0.000 2.141 5192 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 5192 L C 1.976 178.951 176.870 0.175 0.000 1.094 5192 L CA 0.960 55.887 54.840 0.146 0.000 0.763 5192 L CB -0.259 41.929 42.059 0.216 0.000 0.908 5192 L HN 0.116 nan 8.230 nan 0.000 0.437 5193 D N 0.140 120.668 120.400 0.212 0.000 2.117 5193 D HA -0.171 4.469 4.640 -0.001 0.000 0.198 5193 D C 2.292 178.728 176.300 0.228 0.000 0.982 5193 D CA 1.130 55.331 54.000 0.334 0.000 0.828 5193 D CB -0.114 40.920 40.800 0.390 0.000 0.967 5193 D HN 0.445 nan 8.370 nan 0.000 0.464 5194 Q N 0.436 120.288 119.800 0.087 0.000 2.050 5194 Q HA -0.088 4.252 4.340 -0.001 0.000 0.202 5194 Q C 2.456 178.391 176.000 -0.108 0.000 0.980 5194 Q CA 0.877 56.635 55.803 -0.076 0.000 0.840 5194 Q CB -0.148 28.481 28.738 -0.183 0.000 0.898 5194 Q HN 0.115 nan 8.270 nan 0.000 0.424 5195 V N 1.225 121.114 119.914 -0.042 0.000 2.490 5195 V HA -0.277 3.843 4.120 -0.001 0.000 0.250 5195 V C 2.242 178.329 176.094 -0.012 0.000 1.061 5195 V CA 1.718 63.999 62.300 -0.032 0.000 1.064 5195 V CB -0.884 30.942 31.823 0.006 0.000 0.670 5195 V HN 0.416 nan 8.190 nan 0.000 0.461 5196 A N -0.184 122.655 122.820 0.031 0.000 1.930 5196 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 5196 A C 2.403 179.921 177.584 -0.110 0.000 1.175 5196 A CA 1.848 53.942 52.037 0.094 0.000 0.627 5196 A CB -0.586 18.607 19.000 0.322 0.000 0.815 5196 A HN 0.558 nan 8.150 nan 0.000 0.443 5197 A N -0.237 122.254 122.820 -0.548 0.000 1.930 5197 A HA 0.039 4.359 4.320 -0.001 0.000 0.217 5197 A C 2.091 179.544 177.584 -0.219 0.000 1.175 5197 A CA 1.277 52.803 52.037 -0.852 0.000 0.627 5197 A CB -0.516 17.843 19.000 -1.069 0.000 0.815 5197 A HN 0.456 nan 8.150 nan 0.000 0.443 5198 L N -1.204 119.941 121.223 -0.130 0.000 2.141 5198 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 5198 L C 2.725 179.622 176.870 0.044 0.000 1.094 5198 L CA 1.597 56.425 54.840 -0.019 0.000 0.763 5198 L CB -0.411 41.630 42.059 -0.029 0.000 0.908 5198 L HN 0.422 nan 8.230 nan 0.000 0.437 5199 R N -0.350 120.183 120.500 0.055 0.000 2.090 5199 R HA -0.210 4.130 4.340 -0.001 0.000 0.228 5199 R C 2.128 178.502 176.300 0.123 0.000 1.110 5199 R CA 1.386 57.535 56.100 0.081 0.000 0.973 5199 R CB -0.561 29.796 30.300 0.095 0.000 0.869 5199 R HN 0.349 nan 8.270 nan 0.000 0.440 5200 W N -0.164 121.128 121.300 -0.013 0.000 2.355 5200 W HA -0.180 4.479 4.660 -0.001 0.000 0.309 5200 W C 1.660 178.179 176.519 -0.001 0.000 1.206 5200 W CA 1.677 59.037 57.345 0.025 0.000 1.284 5200 W CB -0.283 29.206 29.460 0.047 0.000 1.145 5200 W HN -0.099 nan 8.180 nan 0.000 0.502 5201 V N 1.098 121.236 119.914 0.373 0.000 2.568 5201 V HA -0.328 3.792 4.120 -0.001 0.000 0.253 5201 V C 2.383 178.505 176.094 0.046 0.000 1.072 5201 V CA 1.877 64.320 62.300 0.238 0.000 1.084 5201 V CB -0.876 31.067 31.823 0.201 0.000 0.676 5201 V HN 0.277 nan 8.190 nan 0.000 0.469 5202 Q N -0.112 119.703 119.800 0.025 0.000 2.172 5202 Q HA -0.126 4.213 4.340 -0.001 0.000 0.200 5202 Q C 1.429 177.387 176.000 -0.070 0.000 0.964 5202 Q CA 1.251 57.054 55.803 0.000 0.000 0.855 5202 Q CB -0.198 28.549 28.738 0.015 0.000 0.918 5202 Q HN 0.693 nan 8.270 nan 0.000 0.444 5203 D N -0.776 119.527 120.400 -0.161 0.000 2.363 5203 D HA 0.088 4.728 4.640 -0.001 0.000 0.214 5203 D C 0.795 176.864 176.300 -0.385 0.000 1.093 5203 D CA 0.088 53.945 54.000 -0.239 0.000 0.837 5203 D CB 0.258 40.912 40.800 -0.243 0.000 0.948 5203 D HN 0.192 nan 8.370 nan 0.000 0.507 5204 N N -0.260 118.162 118.700 -0.464 0.000 2.297 5204 N HA 0.016 4.755 4.740 -0.001 0.000 0.247 5204 N C 1.422 176.842 175.510 -0.150 0.000 1.138 5204 N CA -0.228 52.492 53.050 -0.551 0.000 0.813 5204 N CB 0.789 38.331 38.487 -1.575 0.000 1.496 5204 N HN -0.073 nan 8.380 nan 0.000 0.480 5205 I N 3.003 123.521 120.570 -0.086 0.000 2.479 5205 I HA -0.204 3.966 4.170 -0.001 0.000 0.258 5205 I C 2.243 178.480 176.117 0.201 0.000 1.165 5205 I CA 0.712 62.079 61.300 0.111 0.000 1.422 5205 I CB -0.355 37.703 38.000 0.097 0.000 1.087 5205 I HN 0.131 nan 8.210 nan 0.000 0.441 5206 A N -0.898 121.978 122.820 0.093 0.000 1.908 5206 A HA -0.225 4.094 4.320 -0.001 0.000 0.218 5206 A C 2.362 179.998 177.584 0.087 0.000 1.181 5206 A CA 2.135 54.215 52.037 0.071 0.000 0.627 5206 A CB -1.014 17.992 19.000 0.009 0.000 0.818 5206 A HN 0.450 nan 8.150 nan 0.000 0.445 5207 S N -1.120 114.630 115.700 0.084 0.000 2.595 5207 S HA 0.033 4.502 4.470 -0.001 0.000 0.235 5207 S C 0.184 174.654 174.600 -0.216 0.000 0.974 5207 S CA 0.629 58.785 58.200 -0.072 0.000 0.942 5207 S CB -0.412 62.684 63.200 -0.175 0.000 0.766 5207 S HN 0.520 nan 8.310 nan 0.000 0.536 5208 F N 0.265 120.204 119.950 -0.018 0.000 2.805 5208 F HA 0.407 4.933 4.527 -0.001 0.000 0.317 5208 F C 1.442 177.288 175.800 0.076 0.000 1.146 5208 F CA -0.530 57.481 58.000 0.018 0.000 1.265 5208 F CB 0.162 39.165 39.000 0.006 0.000 0.992 5208 F HN 0.156 nan 8.300 nan 0.000 0.511 5209 G N 0.382 109.292 108.800 0.184 0.000 2.148 5209 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.254 5209 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.254 5209 G C 0.570 175.557 174.900 0.145 0.000 0.981 5209 G CA -0.047 45.142 45.100 0.147 0.000 0.670 5209 G HN 0.795 nan 8.290 nan 0.000 0.528 5210 G N -0.532 108.366 108.800 0.164 0.000 2.389 5210 G HA2 0.520 4.479 3.960 -0.001 0.000 0.328 5210 G HA3 0.520 4.479 3.960 -0.001 0.000 0.328 5210 G C -0.407 174.553 174.900 0.100 0.000 1.133 5210 G CA -0.145 45.036 45.100 0.136 0.000 0.891 5210 G HN 0.529 nan 8.290 nan 0.000 0.485 5211 N N 1.905 120.655 118.700 0.084 0.000 2.406 5211 N HA 0.310 5.049 4.740 -0.001 0.000 0.251 5211 N C -1.193 174.364 175.510 0.080 0.000 1.069 5211 N CA -2.095 50.992 53.050 0.062 0.000 0.947 5211 N CB 1.748 40.258 38.487 0.039 0.000 1.111 5211 N HN 0.138 nan 8.380 nan 0.000 0.497 5212 P HA 0.077 nan 4.420 nan 0.000 0.242 5212 P C 0.553 177.951 177.300 0.163 0.000 1.197 5212 P CA 0.456 63.619 63.100 0.105 0.000 0.765 5212 P CB 0.134 31.869 31.700 0.059 0.000 0.936 5213 G N -1.038 107.805 108.800 0.072 0.000 3.126 5213 G HA2 0.071 4.030 3.960 -0.001 0.000 0.224 5213 G HA3 0.071 4.030 3.960 -0.001 0.000 0.224 5213 G C 0.326 175.069 174.900 -0.262 0.000 1.142 5213 G CA 0.077 45.123 45.100 -0.091 0.000 0.759 5213 G HN 0.317 nan 8.290 nan 0.000 0.550 5214 S N 0.276 116.024 115.700 0.080 0.000 2.440 5214 S HA 0.428 4.897 4.470 -0.001 0.000 0.142 5214 S C -0.944 173.801 174.600 0.242 0.000 1.578 5214 S CA -0.347 57.949 58.200 0.159 0.000 1.260 5214 S CB 0.286 63.497 63.200 0.019 0.000 1.407 5214 S HN -0.040 nan 8.310 nan 0.000 0.392 5215 V N 3.207 123.347 119.914 0.377 0.000 2.394 5215 V HA 0.578 4.697 4.120 -0.001 0.000 0.282 5215 V C 0.235 176.416 176.094 0.145 0.000 1.031 5215 V CA -0.326 62.082 62.300 0.180 0.000 0.881 5215 V CB 1.717 33.610 31.823 0.116 0.000 0.982 5215 V HN 0.667 nan 8.190 nan 0.000 0.451 5216 T N 6.224 120.847 114.554 0.115 0.000 2.807 5216 T HA 0.643 4.993 4.350 -0.001 0.000 0.279 5216 T C -0.248 174.522 174.700 0.117 0.000 0.993 5216 T CA -0.227 61.934 62.100 0.102 0.000 0.970 5216 T CB 1.156 70.037 68.868 0.022 0.000 0.950 5216 T HN 0.620 nan 8.240 nan 0.000 0.441 5217 I N 1.490 122.130 120.570 0.116 0.000 2.412 5217 I HA 0.886 5.055 4.170 -0.001 0.000 0.296 5217 I C -0.983 175.298 176.117 0.273 0.000 0.987 5217 I CA -1.050 60.326 61.300 0.126 0.000 1.180 5217 I CB 1.095 38.989 38.000 -0.176 0.000 1.340 5217 I HN 0.495 nan 8.210 nan 0.000 0.455 5218 F N 2.924 122.880 119.950 0.010 0.000 2.631 5218 F HA 1.006 5.533 4.527 -0.001 0.000 0.308 5218 F C -0.485 175.160 175.800 -0.259 0.000 1.097 5218 F CA -1.672 56.349 58.000 0.036 0.000 0.952 5218 F CB 1.269 40.438 39.000 0.281 0.000 1.307 5218 F HN 0.852 nan 8.300 nan 0.000 0.450 5219 G N 1.223 109.754 108.800 -0.448 0.000 2.576 5219 G HA2 0.553 4.513 3.960 -0.001 0.000 0.290 5219 G HA3 0.553 4.513 3.960 -0.001 0.000 0.290 5219 G C -2.336 172.258 174.900 -0.510 0.000 1.442 5219 G CA -0.744 43.621 45.100 -1.224 0.000 0.792 5219 G HN 1.094 nan 8.290 nan 0.000 0.491 5220 E N -0.634 119.307 120.200 -0.432 0.000 2.299 5220 E HA 0.771 5.121 4.350 -0.001 0.000 0.265 5220 E C 0.666 177.267 176.600 0.003 0.000 0.911 5220 E CA 0.093 56.456 56.400 -0.061 0.000 0.789 5220 E CB 1.904 31.632 29.700 0.047 0.000 1.246 5220 E HN 1.644 nan 8.360 nan 0.000 0.427 5221 S N 1.537 117.323 115.700 0.144 0.000 4.064 5221 S HA -0.385 4.085 4.470 -0.001 0.000 0.625 5221 S C 1.538 176.243 174.600 0.175 0.000 2.010 5221 S CA 2.247 60.644 58.200 0.329 0.000 4.186 5221 S CB -1.832 61.642 63.200 0.457 0.000 0.211 5221 S HN 1.673 nan 8.310 nan 0.000 0.605 5222 A N 1.022 123.923 122.820 0.135 0.000 2.024 5222 A HA 0.168 4.487 4.320 -0.001 0.000 0.220 5222 A C 2.518 180.073 177.584 -0.048 0.000 1.164 5222 A CA 2.436 54.495 52.037 0.037 0.000 0.643 5222 A CB -1.620 17.400 19.000 0.033 0.000 0.806 5222 A HN 1.690 nan 8.150 nan 0.000 0.451 5223 G N -0.632 108.097 108.800 -0.118 0.000 2.403 5223 G HA2 0.083 4.042 3.960 -0.001 0.000 0.216 5223 G HA3 0.083 4.042 3.960 -0.001 0.000 0.216 5223 G C 1.479 176.224 174.900 -0.258 0.000 1.154 5223 G CA 1.079 45.999 45.100 -0.300 0.000 0.784 5223 G HN 0.664 nan 8.290 nan 0.000 0.538 5224 G N 0.273 108.985 108.800 -0.147 0.000 2.422 5224 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.218 5224 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.218 5224 G C 1.549 176.422 174.900 -0.044 0.000 1.140 5224 G CA 1.104 46.166 45.100 -0.063 0.000 0.775 5224 G HN 0.455 nan 8.290 nan 0.000 0.545 5225 E N 0.942 121.115 120.200 -0.045 0.000 2.107 5225 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 5225 E C 2.476 178.990 176.600 -0.142 0.000 0.982 5225 E CA 1.077 57.439 56.400 -0.062 0.000 0.809 5225 E CB -0.181 29.491 29.700 -0.046 0.000 0.756 5225 E HN 0.342 nan 8.360 nan 0.000 0.459 5226 S N 0.374 115.972 115.700 -0.169 0.000 2.355 5226 S HA -0.112 4.358 4.470 -0.001 0.000 0.222 5226 S C 2.164 176.558 174.600 -0.343 0.000 1.031 5226 S CA 1.168 59.198 58.200 -0.284 0.000 0.993 5226 S CB -0.274 62.793 63.200 -0.221 0.000 0.859 5226 S HN 0.134 nan 8.310 nan 0.000 0.453 5227 V N 1.529 121.264 119.914 -0.297 0.000 2.332 5227 V HA -0.175 3.944 4.120 -0.001 0.000 0.248 5227 V C 2.590 178.477 176.094 -0.346 0.000 1.055 5227 V CA 2.004 64.096 62.300 -0.346 0.000 1.038 5227 V CB -0.839 30.838 31.823 -0.243 0.000 0.651 5227 V HN 0.563 nan 8.190 nan 0.000 0.450 5228 S N -0.759 114.823 115.700 -0.197 0.000 2.399 5228 S HA -0.145 4.325 4.470 -0.001 0.000 0.231 5228 S C 1.876 176.367 174.600 -0.182 0.000 1.022 5228 S CA 1.700 59.832 58.200 -0.112 0.000 0.983 5228 S CB -0.103 63.105 63.200 0.013 0.000 0.803 5228 S HN 0.356 nan 8.310 nan 0.000 0.480 5229 V N 1.778 121.535 119.914 -0.262 0.000 2.407 5229 V HA -0.008 4.111 4.120 -0.001 0.000 0.245 5229 V C 2.294 178.220 176.094 -0.281 0.000 1.041 5229 V CA 1.349 63.473 62.300 -0.292 0.000 1.040 5229 V CB -0.552 30.979 31.823 -0.487 0.000 0.671 5229 V HN 0.468 nan 8.190 nan 0.000 0.455 5230 L N -0.443 120.569 121.223 -0.351 0.000 2.083 5230 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 5230 L C 2.489 179.242 176.870 -0.195 0.000 1.083 5230 L CA 1.021 55.665 54.840 -0.327 0.000 0.752 5230 L CB -0.753 40.988 42.059 -0.529 0.000 0.899 5230 L HN 0.196 nan 8.230 nan 0.000 0.433 5231 V N 0.292 120.063 119.914 -0.238 0.000 2.392 5231 V HA -0.263 3.856 4.120 -0.001 0.000 0.249 5231 V C 2.145 178.246 176.094 0.012 0.000 1.059 5231 V CA 1.610 63.887 62.300 -0.038 0.000 1.051 5231 V CB -0.250 31.384 31.823 -0.315 0.000 0.658 5231 V HN 0.398 nan 8.190 nan 0.000 0.455 5232 L N -0.914 120.279 121.223 -0.050 0.000 2.567 5232 L HA 0.176 4.515 4.340 -0.001 0.000 0.225 5232 L C 1.063 177.910 176.870 -0.038 0.000 1.119 5232 L CA 0.169 54.991 54.840 -0.030 0.000 0.871 5232 L CB 0.164 42.197 42.059 -0.043 0.000 1.036 5232 L HN 0.217 nan 8.230 nan 0.000 0.459 5233 S N 0.625 116.297 115.700 -0.046 0.000 2.462 5233 S HA 0.313 4.782 4.470 -0.001 0.000 0.294 5233 S C -1.341 173.242 174.600 -0.028 0.000 1.144 5233 S CA -1.575 56.597 58.200 -0.046 0.000 1.088 5233 S CB 1.204 64.362 63.200 -0.070 0.000 1.009 5233 S HN -0.057 nan 8.310 nan 0.000 0.484 5234 P HA -0.100 nan 4.420 nan 0.000 0.221 5234 P C 1.339 178.624 177.300 -0.025 0.000 1.145 5234 P CA 0.892 63.973 63.100 -0.031 0.000 0.795 5234 P CB 0.067 31.753 31.700 -0.023 0.000 0.775 5235 L N -0.901 120.312 121.223 -0.017 0.000 2.275 5235 L HA -0.043 4.296 4.340 -0.001 0.000 0.215 5235 L C 2.400 179.271 176.870 0.002 0.000 1.119 5235 L CA 1.216 56.053 54.840 -0.005 0.000 0.790 5235 L CB -0.613 41.445 42.059 -0.000 0.000 0.919 5235 L HN -0.015 nan 8.230 nan 0.000 0.443 5236 A N -1.799 121.028 122.820 0.011 0.000 2.343 5236 A HA 0.045 4.365 4.320 -0.001 0.000 0.223 5236 A C 1.825 179.421 177.584 0.020 0.000 1.214 5236 A CA -0.175 51.904 52.037 0.070 0.000 0.900 5236 A CB 0.062 19.147 19.000 0.141 0.000 0.942 5236 A HN -0.003 nan 8.150 nan 0.000 0.507 5237 K N 1.320 121.659 120.400 -0.101 0.000 2.162 5237 K HA -0.222 4.097 4.320 -0.001 0.000 0.219 5237 K C 0.111 176.395 176.600 -0.527 0.000 1.038 5237 K CA 1.929 58.019 56.287 -0.329 0.000 0.946 5237 K CB -0.408 31.961 32.500 -0.218 0.000 0.783 5237 K HN 0.586 nan 8.250 nan 0.000 0.470 5238 N N -0.021 118.525 118.700 -0.256 0.000 2.480 5238 N HA 0.134 4.873 4.740 -0.001 0.000 0.281 5238 N C 0.543 175.975 175.510 -0.130 0.000 1.381 5238 N CA 0.016 52.952 53.050 -0.190 0.000 0.903 5238 N CB 0.711 39.186 38.487 -0.021 0.000 1.274 5238 N HN 0.121 nan 8.380 nan 0.000 0.505 5239 L N -0.315 120.844 121.223 -0.107 0.000 2.616 5239 L HA 0.325 4.664 4.340 -0.001 0.000 0.229 5239 L C -0.280 176.584 176.870 -0.010 0.000 1.110 5239 L CA 0.234 55.072 54.840 -0.003 0.000 0.884 5239 L CB -0.128 41.982 42.059 0.085 0.000 1.115 5239 L HN 0.033 nan 8.230 nan 0.000 0.481 5240 F N -3.493 116.189 119.950 -0.447 0.000 2.668 5240 F HA 0.486 5.012 4.527 -0.001 0.000 0.309 5240 F C 0.196 175.605 175.800 -0.652 0.000 1.117 5240 F CA -1.051 56.636 58.000 -0.521 0.000 0.951 5240 F CB 0.792 39.646 39.000 -0.243 0.000 1.323 5240 F HN -0.093 nan 8.300 nan 0.000 0.451 5241 H N -0.008 119.042 119.070 -0.034 0.000 3.233 5241 H HA 0.450 5.005 4.556 -0.001 0.000 0.263 5241 H C -0.527 174.777 175.328 -0.039 0.000 1.168 5241 H CA -0.230 55.752 56.048 -0.110 0.000 1.159 5241 H CB 0.829 30.552 29.762 -0.063 0.000 1.593 5241 H HN 0.535 nan 8.280 nan 0.000 0.580 5242 R N 0.575 121.171 120.500 0.159 0.000 2.566 5242 R HA 0.665 5.004 4.340 -0.001 0.000 0.271 5242 R C -1.316 175.159 176.300 0.292 0.000 1.071 5242 R CA -0.398 55.788 56.100 0.143 0.000 0.915 5242 R CB 2.516 32.782 30.300 -0.057 0.000 1.228 5242 R HN 0.177 nan 8.270 nan 0.000 0.449 5243 A N 3.157 126.162 122.820 0.307 0.000 2.401 5243 A HA 0.861 5.181 4.320 -0.001 0.000 0.310 5243 A C -1.052 176.698 177.584 0.277 0.000 1.075 5243 A CA -0.691 51.434 52.037 0.146 0.000 0.746 5243 A CB 1.175 20.042 19.000 -0.221 0.000 1.277 5243 A HN 0.627 nan 8.150 nan 0.000 0.425 5244 I N 1.409 122.100 120.570 0.202 0.000 2.529 5244 I HA 0.238 4.407 4.170 -0.001 0.000 0.284 5244 I C -0.436 175.822 176.117 0.235 0.000 1.088 5244 I CA -0.137 61.267 61.300 0.173 0.000 1.062 5244 I CB 2.222 40.247 38.000 0.042 0.000 1.218 5244 I HN 0.496 nan 8.210 nan 0.000 0.442 5245 S N 5.184 121.035 115.700 0.251 0.000 2.437 5245 S HA 0.410 4.880 4.470 -0.001 0.000 0.305 5245 S C -0.493 174.179 174.600 0.119 0.000 1.109 5245 S CA -0.610 57.688 58.200 0.164 0.000 1.099 5245 S CB 1.197 64.497 63.200 0.166 0.000 1.004 5245 S HN 0.468 nan 8.310 nan 0.000 0.475 5246 E N 1.681 121.973 120.200 0.153 0.000 2.129 5246 E HA 0.365 4.715 4.350 -0.001 0.000 0.268 5246 E C -0.624 176.035 176.600 0.098 0.000 0.900 5246 E CA -0.578 55.935 56.400 0.189 0.000 0.755 5246 E CB 1.281 31.168 29.700 0.311 0.000 1.117 5246 E HN 0.599 nan 8.360 nan 0.000 0.410 5247 S N 2.052 117.792 115.700 0.068 0.000 3.527 5247 S HA -0.110 4.360 4.470 -0.001 0.000 0.409 5247 S C 0.044 174.882 174.600 0.398 0.000 0.900 5247 S CA 0.620 58.880 58.200 0.100 0.000 1.320 5247 S CB -1.048 62.065 63.200 -0.144 0.000 0.915 5247 S HN 1.005 nan 8.310 nan 0.000 0.575 5248 G N -0.862 108.180 108.800 0.403 0.000 2.220 5248 G HA2 0.473 4.432 3.960 -0.001 0.000 0.232 5248 G HA3 0.473 4.432 3.960 -0.001 0.000 0.232 5248 G C -0.844 174.122 174.900 0.109 0.000 1.680 5248 G CA 0.020 45.307 45.100 0.311 0.000 0.922 5248 G HN 1.652 nan 8.290 nan 0.000 0.723 5249 V N -0.464 119.469 119.914 0.031 0.000 3.181 5249 V HA 0.929 5.048 4.120 -0.001 0.000 0.308 5249 V C 1.358 177.425 176.094 -0.045 0.000 1.214 5249 V CA -0.038 62.262 62.300 -0.001 0.000 1.053 5249 V CB 1.194 33.006 31.823 -0.019 0.000 1.069 5249 V HN 2.331 nan 8.190 nan 0.000 0.441 5250 A N 0.109 122.905 122.820 -0.041 0.000 2.186 5250 A HA 0.063 4.383 4.320 -0.001 0.000 0.219 5250 A C 1.520 179.058 177.584 -0.077 0.000 1.159 5250 A CA 1.865 53.862 52.037 -0.067 0.000 0.680 5250 A CB -0.768 18.196 19.000 -0.059 0.000 0.787 5250 A HN 0.866 nan 8.150 nan 0.000 0.467 5251 L N -1.003 120.173 121.223 -0.078 0.000 2.607 5251 L HA 0.054 4.394 4.340 -0.001 0.000 0.228 5251 L C 0.539 177.325 176.870 -0.140 0.000 1.123 5251 L CA 0.034 54.818 54.840 -0.093 0.000 0.890 5251 L CB 0.000 42.018 42.059 -0.069 0.000 1.103 5251 L HN 0.078 nan 8.230 nan 0.000 0.468 5252 T N 0.844 115.298 114.554 -0.167 0.000 4.578 5252 T HA -0.022 4.328 4.350 -0.001 0.000 0.236 5252 T C 1.603 176.165 174.700 -0.231 0.000 1.038 5252 T CA 0.560 62.504 62.100 -0.261 0.000 1.067 5252 T CB -0.143 68.545 68.868 -0.300 0.000 1.390 5252 T HN 0.499 nan 8.240 nan 0.000 1.076 5253 S N 1.315 116.887 115.700 -0.213 0.000 2.465 5253 S HA -0.250 4.219 4.470 -0.001 0.000 0.263 5253 S C 2.095 176.579 174.600 -0.192 0.000 1.135 5253 S CA 1.846 59.925 58.200 -0.200 0.000 1.118 5253 S CB -1.042 62.018 63.200 -0.233 0.000 0.994 5253 S HN 0.481 nan 8.310 nan 0.000 0.455 5254 V N 1.683 121.471 119.914 -0.210 0.000 2.324 5254 V HA -0.118 4.002 4.120 -0.001 0.000 0.250 5254 V C 2.304 178.314 176.094 -0.139 0.000 1.060 5254 V CA 2.326 64.525 62.300 -0.168 0.000 1.042 5254 V CB -0.522 31.206 31.823 -0.159 0.000 0.650 5254 V HN 0.679 nan 8.190 nan 0.000 0.450 5255 L N -0.608 120.526 121.223 -0.147 0.000 2.492 5255 L HA 0.111 4.451 4.340 -0.001 0.000 0.223 5255 L C 0.474 177.267 176.870 -0.128 0.000 1.132 5255 L CA 0.051 54.806 54.840 -0.140 0.000 0.850 5255 L CB 0.165 42.149 42.059 -0.125 0.000 0.966 5255 L HN 0.142 nan 8.230 nan 0.000 0.454 5256 V N 0.555 120.399 119.914 -0.117 0.000 2.513 5256 V HA 0.279 4.399 4.120 -0.001 0.000 0.299 5256 V C -0.121 175.917 176.094 -0.093 0.000 1.035 5256 V CA -0.851 61.393 62.300 -0.094 0.000 0.889 5256 V CB 1.940 33.708 31.823 -0.092 0.000 0.988 5256 V HN 0.022 nan 8.190 nan 0.000 0.440 5257 K N 4.367 124.723 120.400 -0.074 0.000 2.347 5257 K HA 0.396 4.716 4.320 -0.001 0.000 0.262 5257 K C -0.512 176.048 176.600 -0.066 0.000 1.052 5257 K CA -0.800 55.445 56.287 -0.069 0.000 0.946 5257 K CB 1.448 33.913 32.500 -0.059 0.000 1.220 5257 K HN 0.641 nan 8.250 nan 0.000 0.450 5258 K N 0.439 120.797 120.400 -0.070 0.000 2.098 5258 K HA 0.719 5.038 4.320 -0.001 0.000 0.261 5258 K C 0.709 177.278 176.600 -0.052 0.000 0.987 5258 K CA -0.457 55.791 56.287 -0.064 0.000 0.916 5258 K CB 0.842 33.298 32.500 -0.073 0.000 1.039 5258 K HN 0.589 nan 8.250 nan 0.000 0.455 5259 G N 0.776 109.548 108.800 -0.046 0.000 2.545 5259 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 5259 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 5259 G C -1.375 173.501 174.900 -0.039 0.000 1.314 5259 G CA -0.172 44.905 45.100 -0.037 0.000 0.906 5259 G HN 0.913 nan 8.290 nan 0.000 0.563 5260 D N 0.293 120.674 120.400 -0.032 0.000 2.339 5260 D HA 0.398 5.037 4.640 -0.001 0.000 0.256 5260 D C 1.724 177.999 176.300 -0.042 0.000 1.214 5260 D CA 0.664 54.644 54.000 -0.034 0.000 0.877 5260 D CB 1.204 41.989 40.800 -0.024 0.000 1.111 5260 D HN 1.230 nan 8.370 nan 0.000 0.478 5261 V N 2.024 121.902 119.914 -0.060 0.000 3.506 5261 V HA 0.117 4.237 4.120 -0.001 0.000 0.263 5261 V C 2.035 178.076 176.094 -0.088 0.000 1.203 5261 V CA 0.299 62.553 62.300 -0.078 0.000 1.133 5261 V CB -0.293 31.463 31.823 -0.111 0.000 0.802 5261 V HN 0.282 nan 8.190 nan 0.000 0.459 5262 K N 1.967 122.323 120.400 -0.073 0.000 2.113 5262 K HA -0.068 4.252 4.320 -0.001 0.000 0.208 5262 K C -0.247 176.328 176.600 -0.042 0.000 1.047 5262 K CA 2.254 58.503 56.287 -0.064 0.000 0.928 5262 K CB -1.555 30.921 32.500 -0.039 0.000 0.716 5262 K HN 0.470 nan 8.250 nan 0.000 0.446 5263 P HA -0.099 nan 4.420 nan 0.000 0.219 5263 P C 1.022 178.322 177.300 0.000 0.000 1.150 5263 P CA 0.746 63.840 63.100 -0.010 0.000 0.814 5263 P CB 0.098 31.793 31.700 -0.008 0.000 0.787 5264 L N -0.625 120.595 121.223 -0.005 0.000 2.179 5264 L HA 0.106 4.446 4.340 -0.001 0.000 0.208 5264 L C 2.112 179.009 176.870 0.046 0.000 1.096 5264 L CA 1.461 56.319 54.840 0.030 0.000 0.779 5264 L CB -1.320 40.762 42.059 0.038 0.000 0.922 5264 L HN -0.151 nan 8.230 nan 0.000 0.443 5265 A N -1.049 121.752 122.820 -0.032 0.000 2.014 5265 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 5265 A C 2.194 179.849 177.584 0.119 0.000 1.163 5265 A CA 1.504 53.535 52.037 -0.010 0.000 0.652 5265 A CB -0.426 18.394 19.000 -0.299 0.000 0.808 5265 A HN 0.531 nan 8.150 nan 0.000 0.449 5266 E N -0.775 119.456 120.200 0.052 0.000 2.046 5266 E HA -0.187 4.162 4.350 -0.001 0.000 0.190 5266 E C 2.212 178.844 176.600 0.055 0.000 0.982 5266 E CA 1.191 57.622 56.400 0.051 0.000 0.800 5266 E CB -0.120 29.593 29.700 0.022 0.000 0.756 5266 E HN 0.758 nan 8.360 nan 0.000 0.449 5267 Q N 0.548 120.377 119.800 0.048 0.000 2.061 5267 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 5267 Q C 2.065 178.100 176.000 0.058 0.000 0.984 5267 Q CA 1.718 57.544 55.803 0.037 0.000 0.846 5267 Q CB -0.101 28.652 28.738 0.025 0.000 0.902 5267 Q HN 0.317 nan 8.270 nan 0.000 0.421 5268 I N 0.485 121.124 120.570 0.116 0.000 2.179 5268 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 5268 I C 2.457 178.620 176.117 0.077 0.000 1.088 5268 I CA 0.985 62.369 61.300 0.139 0.000 1.357 5268 I CB -0.524 37.636 38.000 0.266 0.000 1.051 5268 I HN 0.325 nan 8.210 nan 0.000 0.409 5269 A N 1.256 124.131 122.820 0.091 0.000 1.877 5269 A HA -0.172 4.148 4.320 -0.001 0.000 0.216 5269 A C 2.285 179.877 177.584 0.012 0.000 1.186 5269 A CA 1.503 53.559 52.037 0.031 0.000 0.620 5269 A CB -0.850 18.183 19.000 0.056 0.000 0.822 5269 A HN 0.382 nan 8.150 nan 0.000 0.443 5270 I N -0.246 120.337 120.570 0.021 0.000 2.163 5270 I HA -0.262 3.907 4.170 -0.001 0.000 0.243 5270 I C 2.515 178.633 176.117 0.000 0.000 1.085 5270 I CA 1.886 63.190 61.300 0.008 0.000 1.347 5270 I CB -0.853 37.151 38.000 0.007 0.000 1.044 5270 I HN 0.252 nan 8.210 nan 0.000 0.408 5271 T N 0.694 115.249 114.554 0.003 0.000 2.867 5271 T HA -0.075 4.275 4.350 -0.001 0.000 0.268 5271 T C 1.926 176.622 174.700 -0.006 0.000 1.057 5271 T CA 1.272 63.369 62.100 -0.004 0.000 1.136 5271 T CB -0.260 68.605 68.868 -0.005 0.000 0.874 5271 T HN 0.488 nan 8.240 nan 0.000 0.466 5272 A N 0.495 123.308 122.820 -0.012 0.000 2.168 5272 A HA 0.455 4.775 4.320 -0.001 0.000 0.215 5272 A C 1.992 179.560 177.584 -0.027 0.000 1.152 5272 A CA 1.021 53.041 52.037 -0.029 0.000 0.716 5272 A CB -0.770 18.192 19.000 -0.062 0.000 0.794 5272 A HN 0.788 nan 8.150 nan 0.000 0.465 5273 G N -2.398 106.391 108.800 -0.018 0.000 2.131 5273 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.223 5273 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.223 5273 G C 0.124 175.013 174.900 -0.017 0.000 0.990 5273 G CA -0.004 45.087 45.100 -0.016 0.000 0.671 5273 G HN 0.595 nan 8.290 nan 0.000 0.521 5274 c N 0.497 119.086 118.600 -0.019 0.000 2.335 5274 c HA 0.710 5.279 4.570 -0.001 0.000 0.363 5274 c C 1.183 175.272 174.090 -0.003 0.000 1.198 5274 c CA -0.729 55.590 56.329 -0.016 0.000 2.279 5274 c CB 1.336 43.828 42.510 -0.030 0.000 2.334 5274 c HN 0.519 nan 8.230 nan 0.000 0.559 5275 K N 0.304 120.705 120.400 0.002 0.000 2.155 5275 K HA 0.376 4.696 4.320 -0.001 0.000 0.237 5275 K C 0.527 177.135 176.600 0.012 0.000 1.040 5275 K CA 0.124 56.415 56.287 0.007 0.000 0.912 5275 K CB 0.391 32.896 32.500 0.008 0.000 1.137 5275 K HN 0.847 nan 8.250 nan 0.000 0.498 5276 T N -2.968 111.592 114.554 0.011 0.000 3.393 5276 T HA 0.081 4.430 4.350 -0.001 0.000 0.298 5276 T C 1.004 175.708 174.700 0.007 0.000 1.004 5276 T CA -0.447 61.662 62.100 0.015 0.000 0.956 5276 T CB 0.169 69.046 68.868 0.015 0.000 1.182 5276 T HN 0.383 nan 8.240 nan 0.000 0.497 5277 T N 3.080 117.635 114.554 0.002 0.000 2.635 5277 T HA -0.028 4.322 4.350 -0.001 0.000 0.267 5277 T C 1.206 175.898 174.700 -0.013 0.000 1.040 5277 T CA 2.009 64.106 62.100 -0.005 0.000 1.156 5277 T CB -0.321 68.543 68.868 -0.007 0.000 0.863 5277 T HN 0.833 nan 8.240 nan 0.000 0.430 5278 T N -2.307 112.233 114.554 -0.023 0.000 2.841 5278 T HA 0.517 4.867 4.350 -0.001 0.000 0.296 5278 T C 0.955 175.622 174.700 -0.054 0.000 1.166 5278 T CA -0.591 61.481 62.100 -0.046 0.000 1.007 5278 T CB 1.809 70.626 68.868 -0.087 0.000 1.253 5278 T HN -0.165 nan 8.240 nan 0.000 0.511 5279 S N 0.216 115.874 115.700 -0.070 0.000 2.368 5279 S HA -0.005 4.465 4.470 -0.001 0.000 0.224 5279 S C 2.460 176.983 174.600 -0.128 0.000 1.029 5279 S CA 1.259 59.440 58.200 -0.032 0.000 0.988 5279 S CB -0.929 62.324 63.200 0.089 0.000 0.838 5279 S HN 0.907 nan 8.310 nan 0.000 0.462 5280 A N 0.967 123.510 122.820 -0.460 0.000 1.940 5280 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 5280 A C 2.324 179.840 177.584 -0.112 0.000 1.176 5280 A CA 1.490 53.257 52.037 -0.450 0.000 0.631 5280 A CB -0.885 17.731 19.000 -0.640 0.000 0.814 5280 A HN 0.341 nan 8.150 nan 0.000 0.446 5281 V N -0.007 119.860 119.914 -0.079 0.000 2.261 5281 V HA -0.337 3.783 4.120 -0.001 0.000 0.246 5281 V C 2.650 178.777 176.094 0.055 0.000 1.047 5281 V CA 2.330 64.637 62.300 0.012 0.000 1.015 5281 V CB -0.683 31.139 31.823 -0.001 0.000 0.642 5281 V HN 0.610 nan 8.190 nan 0.000 0.446 5282 M N -0.735 118.887 119.600 0.038 0.000 2.163 5282 M HA -0.240 4.240 4.480 -0.001 0.000 0.258 5282 M C 2.200 178.506 176.300 0.011 0.000 1.071 5282 M CA 2.187 57.513 55.300 0.043 0.000 1.093 5282 M CB -0.882 31.786 32.600 0.112 0.000 1.285 5282 M HN 0.235 nan 8.290 nan 0.000 0.420 5283 V N -0.149 119.803 119.914 0.064 0.000 2.250 5283 V HA -0.361 3.758 4.120 -0.001 0.000 0.253 5283 V C 2.354 178.483 176.094 0.057 0.000 1.065 5283 V CA 2.664 64.980 62.300 0.028 0.000 1.039 5283 V CB -1.121 30.797 31.823 0.158 0.000 0.647 5283 V HN 0.513 nan 8.190 nan 0.000 0.446 5284 H N -0.846 118.228 119.070 0.008 0.000 2.319 5284 H HA -0.230 4.326 4.556 -0.001 0.000 0.299 5284 H C 2.384 177.712 175.328 -0.000 0.000 1.092 5284 H CA 2.374 58.430 56.048 0.013 0.000 1.302 5284 H CB -0.705 29.056 29.762 -0.002 0.000 1.373 5284 H HN 0.522 nan 8.280 nan 0.000 0.497 5285 c N -0.135 118.414 118.600 -0.085 0.000 2.453 5285 c HA -0.050 4.519 4.570 -0.001 0.000 0.277 5285 c C 2.828 176.836 174.090 -0.137 0.000 1.262 5285 c CA 0.891 57.136 56.329 -0.139 0.000 1.718 5285 c CB -1.448 41.032 42.510 -0.049 0.000 2.031 5285 c HN 0.651 nan 8.230 nan 0.000 0.480 5286 L N 0.384 121.531 121.223 -0.127 0.000 2.131 5286 L HA -0.093 4.246 4.340 -0.001 0.000 0.210 5286 L C 2.898 179.764 176.870 -0.007 0.000 1.092 5286 L CA 1.574 56.336 54.840 -0.131 0.000 0.759 5286 L CB -0.743 41.106 42.059 -0.350 0.000 0.903 5286 L HN 0.370 nan 8.230 nan 0.000 0.435 5287 R N -0.154 120.365 120.500 0.033 0.000 2.339 5287 R HA -0.110 4.229 4.340 -0.001 0.000 0.199 5287 R C 1.737 177.966 176.300 -0.118 0.000 1.018 5287 R CA 0.642 56.751 56.100 0.015 0.000 1.036 5287 R CB 0.165 30.513 30.300 0.079 0.000 0.899 5287 R HN 0.444 nan 8.270 nan 0.000 0.473 5288 Q N -0.545 119.162 119.800 -0.155 0.000 2.246 5288 Q HA 0.114 4.453 4.340 -0.001 0.000 0.222 5288 Q C -0.477 175.462 176.000 -0.101 0.000 0.851 5288 Q CA -0.102 55.607 55.803 -0.156 0.000 0.945 5288 Q CB 0.818 29.419 28.738 -0.227 0.000 1.122 5288 Q HN 0.082 nan 8.270 nan 0.000 0.508 5289 K N 1.296 121.642 120.400 -0.090 0.000 2.168 5289 K HA 0.140 4.459 4.320 -0.001 0.000 0.258 5289 K C 0.450 177.027 176.600 -0.039 0.000 1.010 5289 K CA 0.017 56.267 56.287 -0.062 0.000 0.929 5289 K CB 0.774 33.233 32.500 -0.068 0.000 0.998 5289 K HN 0.050 nan 8.250 nan 0.000 0.479 5290 T N -2.453 112.095 114.554 -0.010 0.000 2.726 5290 T HA -0.016 4.333 4.350 -0.001 0.000 0.294 5290 T C 1.324 176.071 174.700 0.078 0.000 1.013 5290 T CA -0.395 61.717 62.100 0.020 0.000 0.996 5290 T CB 0.997 69.878 68.868 0.022 0.000 1.016 5290 T HN 0.719 nan 8.240 nan 0.000 0.529 5291 E N -0.028 120.244 120.200 0.121 0.000 2.038 5291 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 5291 E C 2.031 178.789 176.600 0.263 0.000 1.000 5291 E CA 1.229 57.784 56.400 0.259 0.000 0.803 5291 E CB -0.093 29.685 29.700 0.131 0.000 0.750 5291 E HN 0.716 nan 8.360 nan 0.000 0.448 5292 E N 0.572 120.852 120.200 0.135 0.000 2.058 5292 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 5292 E C 1.961 178.625 176.600 0.108 0.000 0.997 5292 E CA 1.392 57.858 56.400 0.110 0.000 0.801 5292 E CB -0.098 29.637 29.700 0.057 0.000 0.746 5292 E HN 0.425 nan 8.360 nan 0.000 0.450 5293 E N 0.217 120.460 120.200 0.072 0.000 2.160 5293 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 5293 E C 2.294 178.918 176.600 0.039 0.000 0.991 5293 E CA 0.635 57.059 56.400 0.040 0.000 0.810 5293 E CB -0.056 29.650 29.700 0.009 0.000 0.742 5293 E HN 0.254 nan 8.360 nan 0.000 0.466 5294 L N 0.216 121.473 121.223 0.056 0.000 2.095 5294 L HA -0.114 4.225 4.340 -0.001 0.000 0.204 5294 L C 2.432 179.383 176.870 0.134 0.000 1.080 5294 L CA 0.176 54.989 54.840 -0.044 0.000 0.759 5294 L CB -0.212 41.639 42.059 -0.347 0.000 0.914 5294 L HN 0.180 nan 8.230 nan 0.000 0.439 5295 L N 0.365 121.812 121.223 0.373 0.000 2.012 5295 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 5295 L C 2.397 179.393 176.870 0.209 0.000 1.073 5295 L CA 1.849 56.921 54.840 0.386 0.000 0.748 5295 L CB -0.562 41.661 42.059 0.274 0.000 0.891 5295 L HN 0.231 nan 8.230 nan 0.000 0.431 5296 E N -1.312 118.970 120.200 0.137 0.000 2.160 5296 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 5296 E C 1.885 178.533 176.600 0.080 0.000 0.991 5296 E CA 1.700 58.153 56.400 0.088 0.000 0.810 5296 E CB -0.302 29.432 29.700 0.058 0.000 0.742 5296 E HN 0.579 nan 8.360 nan 0.000 0.466 5297 T N 0.587 115.189 114.554 0.080 0.000 2.777 5297 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 5297 T C 2.056 176.835 174.700 0.133 0.000 1.040 5297 T CA 1.617 63.758 62.100 0.070 0.000 1.141 5297 T CB -0.402 68.491 68.868 0.041 0.000 0.868 5297 T HN 0.181 nan 8.240 nan 0.000 0.444 5298 T N 2.688 117.372 114.554 0.216 0.000 2.720 5298 T HA -0.009 4.341 4.350 -0.001 0.000 0.268 5298 T C 1.969 176.827 174.700 0.263 0.000 1.037 5298 T CA 0.975 63.295 62.100 0.366 0.000 1.144 5298 T CB -0.479 68.612 68.868 0.372 0.000 0.864 5298 T HN 0.263 nan 8.240 nan 0.000 0.444 5299 L N 0.322 121.641 121.223 0.161 0.000 2.005 5299 L HA -0.042 4.298 4.340 -0.001 0.000 0.207 5299 L C 2.758 179.649 176.870 0.034 0.000 1.072 5299 L CA 1.331 56.229 54.840 0.097 0.000 0.744 5299 L CB -0.504 41.601 42.059 0.078 0.000 0.895 5299 L HN 0.136 nan 8.230 nan 0.000 0.433 5300 K N -0.302 120.108 120.400 0.018 0.000 2.103 5300 K HA -0.162 4.158 4.320 -0.001 0.000 0.207 5300 K C 2.080 178.622 176.600 -0.096 0.000 1.048 5300 K CA 1.251 57.522 56.287 -0.027 0.000 0.930 5300 K CB -0.109 32.380 32.500 -0.017 0.000 0.716 5300 K HN 0.240 nan 8.250 nan 0.000 0.444 5301 M N 0.655 120.158 119.600 -0.162 0.000 2.460 5301 M HA -0.092 4.388 4.480 -0.001 0.000 0.263 5301 M C 0.597 176.620 176.300 -0.462 0.000 1.071 5301 M CA 0.882 55.921 55.300 -0.436 0.000 1.096 5301 M CB -0.775 31.294 32.600 -0.886 0.000 1.408 5301 M HN 0.113 nan 8.290 nan 0.000 0.463 5302 K N 0.953 121.222 120.400 -0.218 0.000 3.278 5302 K HA -0.190 4.129 4.320 -0.001 0.000 0.270 5302 K C -0.752 175.788 176.600 -0.099 0.000 0.955 5302 K CA -0.070 56.155 56.287 -0.104 0.000 0.723 5302 K CB -1.264 31.183 32.500 -0.088 0.000 1.382 5302 K HN 0.099 nan 8.250 nan 0.000 0.461 5303 F N 0.672 120.642 119.950 0.033 0.000 2.532 5303 F HA 0.089 4.616 4.527 -0.001 0.000 0.323 5303 F C 1.959 177.775 175.800 0.027 0.000 1.234 5303 F CA 0.746 58.765 58.000 0.033 0.000 1.323 5303 F CB 0.298 39.328 39.000 0.049 0.000 1.183 5303 F HN 0.197 nan 8.300 nan 0.000 0.589 5304 L N 0.785 122.174 121.223 0.277 0.000 3.737 5304 L HA -0.288 4.052 4.340 -0.001 0.000 0.418 5304 L C -0.388 176.541 176.870 0.098 0.000 1.216 5304 L CA 0.160 55.089 54.840 0.148 0.000 0.915 5304 L CB -1.847 40.283 42.059 0.119 0.000 1.834 5304 L HN 0.518 nan 8.230 nan 0.000 0.943 5305 S N -0.270 115.483 115.700 0.088 0.000 2.540 5305 S HA 0.626 5.096 4.470 -0.001 0.000 0.275 5305 S C -0.546 174.086 174.600 0.055 0.000 1.123 5305 S CA -0.680 57.556 58.200 0.060 0.000 0.907 5305 S CB 2.322 65.541 63.200 0.031 0.000 1.081 5305 S HN 0.229 nan 8.310 nan 0.000 0.476 5306 L N 3.592 124.852 121.223 0.062 0.000 2.418 5306 L HA 0.328 4.668 4.340 -0.001 0.000 0.274 5306 L C -0.193 176.661 176.870 -0.027 0.000 1.135 5306 L CA 0.220 55.077 54.840 0.027 0.000 0.870 5306 L CB 0.326 42.373 42.059 -0.019 0.000 1.154 5306 L HN 0.525 nan 8.230 nan 0.000 0.462 5307 D N 4.697 125.075 120.400 -0.036 0.000 2.383 5307 D HA 0.050 4.689 4.640 -0.001 0.000 0.245 5307 D C 1.071 177.327 176.300 -0.073 0.000 1.263 5307 D CA 0.237 54.204 54.000 -0.056 0.000 0.936 5307 D CB 0.515 41.279 40.800 -0.061 0.000 1.053 5307 D HN 0.610 nan 8.370 nan 0.000 0.507 5308 L N 2.090 123.274 121.223 -0.066 0.000 2.376 5308 L HA -0.012 4.328 4.340 -0.001 0.000 0.219 5308 L C 1.481 178.321 176.870 -0.050 0.000 1.133 5308 L CA 0.630 55.431 54.840 -0.065 0.000 0.816 5308 L CB -0.080 41.946 42.059 -0.056 0.000 0.933 5308 L HN 0.406 nan 8.230 nan 0.000 0.449 5309 Q N -0.333 119.438 119.800 -0.048 0.000 2.306 5309 Q HA 0.493 4.833 4.340 -0.001 0.000 0.265 5309 Q C 0.032 176.004 176.000 -0.046 0.000 1.022 5309 Q CA 0.351 56.131 55.803 -0.038 0.000 0.853 5309 Q CB 2.171 30.890 28.738 -0.031 0.000 1.327 5309 Q HN 0.171 nan 8.270 nan 0.000 0.449 5310 G N 2.619 111.399 108.800 -0.032 0.000 2.587 5310 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.212 5310 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.212 5310 G C -1.100 173.775 174.900 -0.042 0.000 1.327 5310 G CA -0.222 44.859 45.100 -0.033 0.000 0.898 5310 G HN 0.704 nan 8.290 nan 0.000 0.551 5311 D N 1.104 121.472 120.400 -0.053 0.000 2.313 5311 D HA 0.452 5.091 4.640 -0.001 0.000 0.239 5311 D C -0.804 175.372 176.300 -0.207 0.000 1.142 5311 D CA -1.570 52.384 54.000 -0.077 0.000 0.847 5311 D CB 1.414 42.193 40.800 -0.034 0.000 1.082 5311 D HN -0.016 nan 8.370 nan 0.000 0.480 5312 P HA -0.189 nan 4.420 nan 0.000 0.217 5312 P C 1.151 178.243 177.300 -0.347 0.000 1.158 5312 P CA 1.378 64.163 63.100 -0.525 0.000 0.887 5312 P CB 0.206 31.210 31.700 -1.160 0.000 0.792 5313 R N -0.199 120.004 120.500 -0.495 0.000 2.226 5313 R HA -0.197 4.143 4.340 -0.001 0.000 0.246 5313 R C 2.269 178.549 176.300 -0.033 0.000 1.161 5313 R CA 1.702 57.639 56.100 -0.272 0.000 0.997 5313 R CB -0.573 29.483 30.300 -0.407 0.000 0.870 5313 R HN 0.537 nan 8.270 nan 0.000 0.465 5314 E N 0.310 120.469 120.200 -0.068 0.000 2.251 5314 E HA -0.012 4.338 4.350 -0.001 0.000 0.194 5314 E C 0.194 176.782 176.600 -0.020 0.000 0.964 5314 E CA 0.270 56.654 56.400 -0.028 0.000 0.868 5314 E CB 0.048 29.727 29.700 -0.036 0.000 0.828 5314 E HN 0.087 nan 8.360 nan 0.000 0.481 5315 S N 1.695 117.371 115.700 -0.040 0.000 2.596 5315 S HA -0.042 4.427 4.470 -0.001 0.000 0.298 5315 S C 0.167 174.769 174.600 0.003 0.000 1.255 5315 S CA -0.304 57.876 58.200 -0.034 0.000 1.083 5315 S CB 0.539 63.708 63.200 -0.052 0.000 0.837 5315 S HN 0.161 nan 8.310 nan 0.000 0.499 5316 Q N 3.728 123.542 119.800 0.023 0.000 2.431 5316 Q HA 0.275 4.615 4.340 -0.001 0.000 0.249 5316 Q C -1.592 174.515 176.000 0.179 0.000 1.025 5316 Q CA -2.038 53.822 55.803 0.096 0.000 0.835 5316 Q CB 1.685 30.512 28.738 0.148 0.000 1.207 5316 Q HN 0.652 nan 8.270 nan 0.000 0.490 5317 P HA 0.009 nan 4.420 nan 0.000 0.227 5317 P C 0.019 177.495 177.300 0.294 0.000 1.161 5317 P CA 0.565 63.787 63.100 0.202 0.000 0.788 5317 P CB 0.999 32.761 31.700 0.104 0.000 0.822 5318 L N -0.702 120.631 121.223 0.183 0.000 2.393 5318 L HA 0.453 4.793 4.340 -0.001 0.000 0.260 5318 L C -0.360 176.451 176.870 -0.097 0.000 1.002 5318 L CA -0.988 53.843 54.840 -0.013 0.000 0.818 5318 L CB 3.006 45.021 42.059 -0.072 0.000 1.369 5318 L HN -0.260 nan 8.230 nan 0.000 0.412 5319 L N 1.776 122.823 121.223 -0.294 0.000 2.335 5319 L HA 0.545 4.884 4.340 -0.001 0.000 0.268 5319 L C 0.242 176.988 176.870 -0.207 0.000 1.037 5319 L CA -0.046 54.679 54.840 -0.193 0.000 0.895 5319 L CB 0.695 42.602 42.059 -0.253 0.000 1.266 5319 L HN 0.784 nan 8.230 nan 0.000 0.439 5320 G N 1.758 110.440 108.800 -0.196 0.000 2.940 5320 G HA2 0.307 4.267 3.960 -0.001 0.000 0.164 5320 G HA3 0.307 4.267 3.960 -0.001 0.000 0.164 5320 G C -0.333 174.495 174.900 -0.119 0.000 1.326 5320 G CA -0.291 44.599 45.100 -0.350 0.000 1.020 5320 G HN 0.322 nan 8.290 nan 0.000 0.586 5321 T N 0.058 114.569 114.554 -0.072 0.000 2.900 5321 T HA 0.428 4.778 4.350 -0.001 0.000 0.307 5321 T C 0.257 174.977 174.700 0.033 0.000 1.065 5321 T CA 0.472 62.645 62.100 0.122 0.000 1.105 5321 T CB 1.087 70.039 68.868 0.140 0.000 0.979 5321 T HN 1.148 nan 8.240 nan 0.000 0.544 5322 V N -0.565 119.363 119.914 0.023 0.000 3.159 5322 V HA 0.540 4.660 4.120 -0.001 0.000 0.308 5322 V C -0.616 175.448 176.094 -0.051 0.000 1.190 5322 V CA -1.235 61.042 62.300 -0.038 0.000 1.037 5322 V CB 1.875 33.654 31.823 -0.073 0.000 1.060 5322 V HN 0.624 nan 8.190 nan 0.000 0.437 5323 I N 3.776 124.309 120.570 -0.062 0.000 2.280 5323 I HA 0.147 4.316 4.170 -0.001 0.000 0.287 5323 I C 1.500 177.573 176.117 -0.072 0.000 1.121 5323 I CA 0.299 61.562 61.300 -0.062 0.000 1.798 5323 I CB -0.853 37.114 38.000 -0.055 0.000 1.489 5323 I HN 1.001 nan 8.210 nan 0.000 0.805 5324 D N 3.050 123.395 120.400 -0.090 0.000 2.149 5324 D HA -0.189 4.451 4.640 -0.001 0.000 0.198 5324 D C 1.511 177.763 176.300 -0.080 0.000 0.990 5324 D CA 1.623 55.556 54.000 -0.112 0.000 0.839 5324 D CB 0.174 40.873 40.800 -0.169 0.000 0.948 5324 D HN 0.572 nan 8.370 nan 0.000 0.460 5325 G N -0.681 108.081 108.800 -0.063 0.000 2.201 5325 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.212 5325 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.212 5325 G C 1.025 175.903 174.900 -0.036 0.000 0.994 5325 G CA 0.508 45.581 45.100 -0.046 0.000 0.644 5325 G HN 0.261 nan 8.290 nan 0.000 0.508 5326 M N -0.977 118.598 119.600 -0.042 0.000 2.906 5326 M HA 0.464 4.943 4.480 -0.001 0.000 0.252 5326 M C 2.239 178.523 176.300 -0.027 0.000 1.359 5326 M CA 1.044 56.330 55.300 -0.024 0.000 1.239 5326 M CB -1.095 31.497 32.600 -0.013 0.000 1.229 5326 M HN 0.241 nan 8.290 nan 0.000 0.547 5327 L N 0.660 121.858 121.223 -0.042 0.000 2.071 5327 L HA 0.197 4.537 4.340 -0.001 0.000 0.201 5327 L C 0.355 177.193 176.870 -0.054 0.000 1.076 5327 L CA 1.329 56.142 54.840 -0.044 0.000 0.755 5327 L CB 0.146 42.178 42.059 -0.044 0.000 0.915 5327 L HN 0.102 nan 8.230 nan 0.000 0.445 5328 L N 0.427 121.616 121.223 -0.058 0.000 2.298 5328 L HA 0.209 4.549 4.340 -0.001 0.000 0.284 5328 L C 0.222 177.062 176.870 -0.050 0.000 1.013 5328 L CA -0.597 54.209 54.840 -0.058 0.000 0.824 5328 L CB 1.757 43.777 42.059 -0.064 0.000 1.221 5328 L HN 0.117 nan 8.230 nan 0.000 0.418 5329 L N 2.609 123.806 121.223 -0.043 0.000 2.307 5329 L HA 0.198 4.537 4.340 -0.001 0.000 0.211 5329 L C 0.671 177.519 176.870 -0.037 0.000 1.099 5329 L CA 1.302 56.119 54.840 -0.038 0.000 0.816 5329 L CB -0.351 41.689 42.059 -0.032 0.000 0.952 5329 L HN 0.516 nan 8.230 nan 0.000 0.455 5330 K N -1.816 118.561 120.400 -0.039 0.000 2.283 5330 K HA 0.475 4.794 4.320 -0.001 0.000 0.257 5330 K C -0.295 176.280 176.600 -0.041 0.000 1.066 5330 K CA -0.675 55.590 56.287 -0.037 0.000 0.891 5330 K CB 1.357 33.838 32.500 -0.032 0.000 1.438 5330 K HN -0.105 nan 8.250 nan 0.000 0.464 5331 T N -1.232 113.298 114.554 -0.040 0.000 2.898 5331 T HA 0.098 4.448 4.350 -0.001 0.000 0.301 5331 T C -2.066 172.609 174.700 -0.043 0.000 1.049 5331 T CA -1.236 60.837 62.100 -0.045 0.000 1.095 5331 T CB 0.678 69.519 68.868 -0.046 0.000 0.976 5331 T HN 0.163 nan 8.240 nan 0.000 0.539 5332 P HA -0.169 nan 4.420 nan 0.000 0.218 5332 P C 1.312 178.595 177.300 -0.027 0.000 1.154 5332 P CA 1.319 64.394 63.100 -0.043 0.000 0.872 5332 P CB 0.031 31.700 31.700 -0.053 0.000 0.790 5333 E N -0.331 119.851 120.200 -0.029 0.000 2.085 5333 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 5333 E C 1.958 178.550 176.600 -0.013 0.000 0.994 5333 E CA 1.319 57.709 56.400 -0.017 0.000 0.801 5333 E CB -0.776 28.911 29.700 -0.022 0.000 0.743 5333 E HN 0.438 nan 8.360 nan 0.000 0.453 5334 E N 0.068 120.256 120.200 -0.020 0.000 2.150 5334 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 5334 E C 1.935 178.524 176.600 -0.019 0.000 0.985 5334 E CA 0.620 57.009 56.400 -0.019 0.000 0.814 5334 E CB -0.072 29.614 29.700 -0.023 0.000 0.752 5334 E HN 0.226 nan 8.360 nan 0.000 0.466 5335 L N 0.721 121.931 121.223 -0.020 0.000 2.291 5335 L HA -0.162 4.178 4.340 -0.001 0.000 0.214 5335 L C 2.255 179.121 176.870 -0.007 0.000 1.120 5335 L CA 0.886 55.714 54.840 -0.020 0.000 0.799 5335 L CB -0.182 41.862 42.059 -0.025 0.000 0.925 5335 L HN 0.111 nan 8.230 nan 0.000 0.446 5336 Q N -0.370 119.433 119.800 0.006 0.000 2.311 5336 Q HA -0.051 4.288 4.340 -0.001 0.000 0.203 5336 Q C 2.390 178.400 176.000 0.017 0.000 0.954 5336 Q CA 0.975 56.795 55.803 0.027 0.000 0.885 5336 Q CB -0.024 28.737 28.738 0.039 0.000 0.963 5336 Q HN 0.559 nan 8.270 nan 0.000 0.471 5337 A N 2.297 125.118 122.820 0.002 0.000 1.825 5337 A HA -0.161 4.159 4.320 -0.001 0.000 0.214 5337 A C 0.919 178.491 177.584 -0.020 0.000 1.206 5337 A CA 0.719 52.753 52.037 -0.004 0.000 0.609 5337 A CB -0.738 18.257 19.000 -0.008 0.000 0.851 5337 A HN 0.497 nan 8.150 nan 0.000 0.445 5338 E N 0.854 121.033 120.200 -0.035 0.000 2.558 5338 E HA 0.049 4.399 4.350 -0.001 0.000 0.255 5338 E C -0.751 175.797 176.600 -0.086 0.000 0.968 5338 E CA -0.075 56.285 56.400 -0.066 0.000 0.939 5338 E CB 0.116 29.770 29.700 -0.076 0.000 0.921 5338 E HN 0.402 nan 8.360 nan 0.000 0.477 5339 R N 4.074 124.502 120.500 -0.121 0.000 2.565 5339 R HA 0.092 4.431 4.340 -0.001 0.000 0.286 5339 R C 0.261 176.384 176.300 -0.295 0.000 1.256 5339 R CA -0.560 55.459 56.100 -0.135 0.000 1.238 5339 R CB -0.212 30.041 30.300 -0.078 0.000 1.153 5339 R HN 0.668 nan 8.270 nan 0.000 0.553 5340 N N 1.776 120.323 118.700 -0.255 0.000 2.307 5340 N HA -0.092 4.647 4.740 -0.001 0.000 0.230 5340 N C 0.052 175.382 175.510 -0.301 0.000 1.297 5340 N CA 0.428 53.266 53.050 -0.354 0.000 0.884 5340 N CB 0.532 38.936 38.487 -0.139 0.000 1.115 5340 N HN 0.352 nan 8.380 nan 0.000 0.436 5341 F N -1.720 118.250 119.950 0.034 0.000 2.765 5341 F HA 0.057 4.584 4.527 -0.001 0.000 0.302 5341 F C 1.005 176.816 175.800 0.019 0.000 1.111 5341 F CA -0.211 57.798 58.000 0.015 0.000 1.359 5341 F CB -0.052 38.950 39.000 0.003 0.000 1.097 5341 F HN 0.448 nan 8.300 nan 0.000 0.577 5342 H N 1.380 120.504 119.070 0.090 0.000 2.638 5342 H HA 0.322 4.878 4.556 -0.001 0.000 0.303 5342 H C -0.501 174.825 175.328 -0.003 0.000 1.034 5342 H CA -0.227 55.840 56.048 0.031 0.000 1.225 5342 H CB 0.864 30.623 29.762 -0.004 0.000 1.394 5342 H HN 0.094 nan 8.280 nan 0.000 0.477 5343 T N 1.735 116.385 114.554 0.160 0.000 2.916 5343 T HA 0.678 5.027 4.350 -0.001 0.000 0.292 5343 T C -0.036 174.742 174.700 0.131 0.000 1.064 5343 T CA -0.710 61.483 62.100 0.155 0.000 1.011 5343 T CB 1.776 70.683 68.868 0.065 0.000 1.152 5343 T HN 0.376 nan 8.240 nan 0.000 0.510 5344 V N -2.872 117.152 119.914 0.185 0.000 3.159 5344 V HA 0.811 4.931 4.120 -0.001 0.000 0.308 5344 V C -3.399 172.881 176.094 0.310 0.000 1.190 5344 V CA -3.144 59.249 62.300 0.154 0.000 1.037 5344 V CB 1.595 33.445 31.823 0.044 0.000 1.060 5344 V HN 0.719 nan 8.190 nan 0.000 0.437 5345 P HA 0.246 nan 4.420 nan 0.000 0.271 5345 P C -1.503 176.136 177.300 0.564 0.000 1.233 5345 P CA 0.497 63.822 63.100 0.375 0.000 0.764 5345 P CB -0.179 31.566 31.700 0.076 0.000 0.825 5346 Y N 4.174 124.709 120.300 0.393 0.000 2.352 5346 Y HA 0.546 5.095 4.550 -0.001 0.000 0.339 5346 Y C -0.342 175.607 175.900 0.081 0.000 0.992 5346 Y CA -1.601 56.543 58.100 0.073 0.000 1.100 5346 Y CB 1.386 39.467 38.460 -0.632 0.000 1.192 5346 Y HN 0.222 nan 8.280 nan 0.000 0.458 5347 M N 7.397 127.099 119.600 0.170 0.000 2.227 5347 M HA 0.579 5.059 4.480 -0.001 0.000 0.335 5347 M C -2.238 173.876 176.300 -0.310 0.000 1.053 5347 M CA -0.612 54.515 55.300 -0.290 0.000 0.973 5347 M CB 1.060 33.144 32.600 -0.859 0.000 1.623 5347 M HN 0.410 nan 8.290 nan 0.000 0.434 5348 V N 4.427 124.112 119.914 -0.382 0.000 2.531 5348 V HA 0.906 5.026 4.120 -0.001 0.000 0.301 5348 V C 0.090 175.933 176.094 -0.418 0.000 1.034 5348 V CA -0.559 61.479 62.300 -0.437 0.000 0.865 5348 V CB 1.559 33.008 31.823 -0.623 0.000 0.995 5348 V HN 1.013 nan 8.190 nan 0.000 0.424 5349 G N 3.854 112.357 108.800 -0.494 0.000 2.672 5349 G HA2 0.896 4.855 3.960 -0.001 0.000 0.292 5349 G HA3 0.896 4.855 3.960 -0.001 0.000 0.292 5349 G C -1.239 173.338 174.900 -0.538 0.000 1.375 5349 G CA -0.634 43.850 45.100 -1.026 0.000 0.890 5349 G HN 0.941 nan 8.290 nan 0.000 0.476 5350 I N -2.254 118.053 120.570 -0.439 0.000 3.264 5350 I HA 0.692 4.861 4.170 -0.001 0.000 0.315 5350 I C -1.284 174.878 176.117 0.076 0.000 1.154 5350 I CA -1.407 59.831 61.300 -0.102 0.000 0.962 5350 I CB 2.494 40.464 38.000 -0.051 0.000 1.265 5350 I HN 0.276 nan 8.210 nan 0.000 0.463 5351 N N 1.281 120.053 118.700 0.119 0.000 2.432 5351 N HA 0.315 5.055 4.740 -0.001 0.000 0.292 5351 N C 0.094 175.712 175.510 0.179 0.000 1.193 5351 N CA -0.703 52.488 53.050 0.234 0.000 0.878 5351 N CB 1.845 40.471 38.487 0.231 0.000 1.252 5351 N HN 0.582 nan 8.380 nan 0.000 0.520 5352 K N 0.298 120.817 120.400 0.198 0.000 2.148 5352 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 5352 K C -0.003 176.683 176.600 0.144 0.000 1.050 5352 K CA 1.673 58.049 56.287 0.149 0.000 0.942 5352 K CB 0.189 32.765 32.500 0.127 0.000 0.724 5352 K HN 0.501 nan 8.250 nan 0.000 0.446 5353 Q N -0.018 119.878 119.800 0.160 0.000 2.719 5353 Q HA 0.092 4.431 4.340 -0.001 0.000 0.376 5353 Q C -0.230 175.876 176.000 0.176 0.000 0.856 5353 Q CA -0.289 55.614 55.803 0.166 0.000 1.038 5353 Q CB 1.261 30.097 28.738 0.163 0.000 1.418 5353 Q HN 0.098 nan 8.270 nan 0.000 0.395 5354 E N 0.142 120.430 120.200 0.146 0.000 2.136 5354 E HA -0.216 4.133 4.350 -0.001 0.000 0.202 5354 E C 0.591 177.277 176.600 0.143 0.000 1.019 5354 E CA 1.518 57.967 56.400 0.082 0.000 0.819 5354 E CB 0.047 29.722 29.700 -0.042 0.000 0.739 5354 E HN 0.428 nan 8.360 nan 0.000 0.458 5355 F N 0.260 120.230 119.950 0.033 0.000 2.730 5355 F HA 0.277 4.803 4.527 -0.001 0.000 0.295 5355 F C 1.664 177.484 175.800 0.033 0.000 1.143 5355 F CA -0.039 57.957 58.000 -0.007 0.000 1.367 5355 F CB 0.316 39.282 39.000 -0.056 0.000 0.970 5355 F HN -0.053 nan 8.300 nan 0.000 0.514 5356 G N 0.577 109.481 108.800 0.173 0.000 2.511 5356 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.216 5356 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.216 5356 G C 1.100 176.135 174.900 0.224 0.000 1.218 5356 G CA 1.554 46.774 45.100 0.200 0.000 0.788 5356 G HN 0.600 nan 8.290 nan 0.000 0.560 5357 W N -1.073 120.208 121.300 -0.031 0.000 5.029 5357 W HA 0.357 5.017 4.660 -0.001 0.000 0.184 5357 W C 1.961 178.425 176.519 -0.091 0.000 1.092 5357 W CA 0.193 57.510 57.345 -0.047 0.000 2.098 5357 W CB -0.583 28.883 29.460 0.010 0.000 0.777 5357 W HN 0.096 nan 8.180 nan 0.000 1.010 5358 L N 1.958 123.175 121.223 -0.011 0.000 1.965 5358 L HA -0.293 4.047 4.340 -0.001 0.000 0.226 5358 L C 2.263 178.868 176.870 -0.442 0.000 1.083 5358 L CA 3.183 57.852 54.840 -0.285 0.000 0.790 5358 L CB -1.199 40.948 42.059 0.147 0.000 0.898 5358 L HN 0.205 nan 8.230 nan 0.000 0.439 5359 I N -0.041 120.310 120.570 -0.365 0.000 2.052 5359 I HA -0.258 3.912 4.170 -0.001 0.000 0.235 5359 I C -0.327 175.427 176.117 -0.606 0.000 1.046 5359 I CA 2.026 63.042 61.300 -0.474 0.000 1.308 5359 I CB -2.183 35.485 38.000 -0.553 0.000 1.031 5359 I HN 0.342 nan 8.210 nan 0.000 0.395 5360 P HA -0.176 nan 4.420 nan 0.000 0.219 5360 P C 1.129 178.223 177.300 -0.343 0.000 1.146 5360 P CA 1.335 64.024 63.100 -0.686 0.000 0.808 5360 P CB -0.153 31.019 31.700 -0.881 0.000 0.779 5364 M N -0.527 119.024 119.600 -0.082 0.000 2.405 5364 M HA 0.263 4.742 4.480 -0.001 0.000 0.292 5364 M C 0.496 176.843 176.300 0.077 0.000 1.111 5364 M CA 0.082 55.398 55.300 0.027 0.000 0.979 5364 M CB 0.878 33.534 32.600 0.093 0.000 1.426 5364 M HN 0.157 nan 8.290 nan 0.000 0.509 5365 S N 0.552 116.274 115.700 0.036 0.000 3.706 5365 S HA -0.187 4.282 4.470 -0.001 0.000 0.363 5365 S C -0.335 174.327 174.600 0.104 0.000 0.999 5365 S CA 0.327 58.555 58.200 0.047 0.000 1.143 5365 S CB -1.993 61.219 63.200 0.021 0.000 0.902 5365 S HN 0.514 nan 8.310 nan 0.000 0.476 5366 Y N 1.649 121.950 120.300 0.002 0.000 2.526 5366 Y HA 0.244 4.794 4.550 -0.001 0.000 0.330 5366 Y C -1.306 174.633 175.900 0.065 0.000 1.156 5366 Y CA -1.131 57.009 58.100 0.067 0.000 1.419 5366 Y CB 0.520 39.049 38.460 0.114 0.000 1.250 5366 Y HN 0.095 nan 8.280 nan 0.000 0.540 5367 P HA 0.003 nan 4.420 nan 0.000 0.263 5367 P C -0.661 176.668 177.300 0.049 0.000 1.386 5367 P CA 0.324 63.403 63.100 -0.035 0.000 0.797 5367 P CB -0.099 31.529 31.700 -0.119 0.000 1.381 5368 L N -0.175 121.159 121.223 0.186 0.000 2.315 5368 L HA 0.349 4.688 4.340 -0.001 0.000 0.278 5368 L C 1.068 178.037 176.870 0.165 0.000 1.088 5368 L CA 0.260 55.231 54.840 0.217 0.000 0.899 5368 L CB 0.096 42.402 42.059 0.412 0.000 1.277 5368 L HN -0.223 nan 8.230 nan 0.000 0.431 5369 S N 1.372 117.136 115.700 0.106 0.000 2.593 5369 S HA 0.192 4.661 4.470 -0.001 0.000 0.235 5369 S C 1.219 175.865 174.600 0.076 0.000 1.059 5369 S CA -0.069 58.186 58.200 0.092 0.000 0.953 5369 S CB 0.171 63.413 63.200 0.069 0.000 0.897 5369 S HN 0.620 nan 8.310 nan 0.000 0.507 5370 E N 1.074 121.312 120.200 0.062 0.000 2.445 5370 E HA 0.181 4.530 4.350 -0.001 0.000 0.189 5370 E C 1.423 178.058 176.600 0.058 0.000 1.069 5370 E CA 0.476 56.906 56.400 0.051 0.000 0.871 5370 E CB -0.140 29.580 29.700 0.034 0.000 0.991 5370 E HN 0.640 nan 8.360 nan 0.000 0.481 5371 G N 1.314 110.162 108.800 0.080 0.000 2.262 5371 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.269 5371 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.269 5371 G C 0.591 175.537 174.900 0.077 0.000 0.984 5371 G CA 1.309 46.462 45.100 0.089 0.000 0.649 5371 G HN 0.396 nan 8.290 nan 0.000 0.548 5372 Q N -1.486 118.347 119.800 0.056 0.000 2.252 5372 Q HA 0.882 5.221 4.340 -0.001 0.000 0.256 5372 Q C -0.911 175.103 176.000 0.024 0.000 1.020 5372 Q CA -0.950 54.878 55.803 0.043 0.000 0.913 5372 Q CB 2.038 30.795 28.738 0.032 0.000 1.286 5372 Q HN 0.378 nan 8.270 nan 0.000 0.480 5373 L N 1.385 122.616 121.223 0.014 0.000 2.735 5373 L HA 0.228 4.568 4.340 -0.001 0.000 0.258 5373 L C -2.087 174.778 176.870 -0.009 0.000 0.920 5373 L CA -0.274 54.553 54.840 -0.023 0.000 0.958 5373 L CB 1.960 43.982 42.059 -0.062 0.000 1.499 5373 L HN 0.742 nan 8.230 nan 0.000 0.441 5374 D N 2.618 123.006 120.400 -0.020 0.000 2.326 5374 D HA 0.257 4.896 4.640 -0.001 0.000 0.248 5374 D C 0.389 176.686 176.300 -0.005 0.000 1.001 5374 D CA -0.573 53.426 54.000 -0.002 0.000 0.961 5374 D CB 1.526 42.326 40.800 -0.000 0.000 1.183 5374 D HN 0.514 nan 8.370 nan 0.000 0.502 5375 Q N 0.690 120.500 119.800 0.017 0.000 2.118 5375 Q HA -0.271 4.069 4.340 -0.001 0.000 0.211 5375 Q C 1.989 178.001 176.000 0.020 0.000 0.998 5375 Q CA 2.378 58.199 55.803 0.030 0.000 0.872 5375 Q CB -0.114 28.644 28.738 0.034 0.000 0.925 5375 Q HN 0.610 nan 8.270 nan 0.000 0.414 5376 K N -1.430 118.976 120.400 0.009 0.000 2.057 5376 K HA -0.131 4.188 4.320 -0.001 0.000 0.207 5376 K C 1.852 178.450 176.600 -0.004 0.000 1.049 5376 K CA 1.761 58.052 56.287 0.007 0.000 0.931 5376 K CB -0.165 32.337 32.500 0.003 0.000 0.714 5376 K HN 0.268 nan 8.250 nan 0.000 0.440 5377 T N 0.682 115.219 114.554 -0.028 0.000 2.867 5377 T HA -0.043 4.306 4.350 -0.001 0.000 0.268 5377 T C 1.815 176.445 174.700 -0.117 0.000 1.057 5377 T CA 1.024 63.090 62.100 -0.057 0.000 1.136 5377 T CB -0.170 68.658 68.868 -0.066 0.000 0.874 5377 T HN 0.392 nan 8.240 nan 0.000 0.466 5378 A N 1.976 124.708 122.820 -0.146 0.000 1.858 5378 A HA -0.050 4.270 4.320 -0.001 0.000 0.216 5378 A C 2.359 179.940 177.584 -0.005 0.000 1.190 5378 A CA 1.449 53.328 52.037 -0.264 0.000 0.617 5378 A CB -0.742 18.199 19.000 -0.099 0.000 0.827 5378 A HN 0.398 nan 8.150 nan 0.000 0.443 5379 M N -0.483 119.161 119.600 0.073 0.000 2.106 5379 M HA -0.184 4.295 4.480 -0.001 0.000 0.259 5379 M C 2.543 178.940 176.300 0.162 0.000 1.068 5379 M CA 1.944 57.325 55.300 0.136 0.000 1.100 5379 M CB -0.508 32.143 32.600 0.084 0.000 1.351 5379 M HN 0.580 nan 8.290 nan 0.000 0.404 5380 S N 0.587 116.348 115.700 0.102 0.000 2.383 5380 S HA -0.063 4.406 4.470 -0.001 0.000 0.227 5380 S C 1.789 176.487 174.600 0.163 0.000 1.026 5380 S CA 0.896 59.176 58.200 0.133 0.000 0.981 5380 S CB -0.129 63.109 63.200 0.065 0.000 0.818 5380 S HN 0.431 nan 8.310 nan 0.000 0.472 5381 L N 0.530 121.807 121.223 0.090 0.000 2.156 5381 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 5381 L C 2.415 179.499 176.870 0.357 0.000 1.095 5381 L CA 0.595 55.509 54.840 0.124 0.000 0.770 5381 L CB -0.399 41.620 42.059 -0.066 0.000 0.914 5381 L HN 0.346 nan 8.230 nan 0.000 0.439 5382 L N -0.556 120.941 121.223 0.457 0.000 2.056 5382 L HA -0.240 4.100 4.340 -0.001 0.000 0.207 5382 L C 2.224 179.342 176.870 0.414 0.000 1.078 5382 L CA 1.769 56.895 54.840 0.477 0.000 0.749 5382 L CB -0.752 41.585 42.059 0.464 0.000 0.901 5382 L HN 0.340 nan 8.230 nan 0.000 0.433 5383 W N 0.611 122.018 121.300 0.177 0.000 2.317 5383 W HA -0.282 4.377 4.660 -0.001 0.000 0.318 5383 W C 2.055 178.659 176.519 0.142 0.000 1.227 5383 W CA 1.197 58.629 57.345 0.145 0.000 1.269 5383 W CB 0.052 29.562 29.460 0.083 0.000 1.155 5383 W HN 0.060 nan 8.180 nan 0.000 0.484 5384 K N 0.527 120.934 120.400 0.012 0.000 2.280 5384 K HA -0.094 4.225 4.320 -0.001 0.000 0.202 5384 K C 1.689 178.244 176.600 -0.075 0.000 1.047 5384 K CA 1.266 57.458 56.287 -0.159 0.000 0.942 5384 K CB -0.676 31.777 32.500 -0.079 0.000 0.739 5384 K HN 0.075 nan 8.250 nan 0.000 0.457 5385 S N 0.767 116.505 115.700 0.063 0.000 2.650 5385 S HA -0.035 4.434 4.470 -0.001 0.000 0.219 5385 S C 1.234 175.855 174.600 0.035 0.000 0.960 5385 S CA -0.236 58.023 58.200 0.100 0.000 0.925 5385 S CB -0.331 62.973 63.200 0.174 0.000 0.775 5385 S HN 0.273 nan 8.310 nan 0.000 0.525 5386 Y N 3.917 124.127 120.300 -0.150 0.000 2.096 5386 Y HA -0.186 4.363 4.550 -0.001 0.000 0.278 5386 Y C -0.694 175.129 175.900 -0.129 0.000 1.192 5386 Y CA 1.788 59.785 58.100 -0.172 0.000 1.143 5386 Y CB -1.243 36.971 38.460 -0.410 0.000 0.963 5386 Y HN 0.269 nan 8.280 nan 0.000 0.505 5387 P HA -0.174 nan 4.420 nan 0.000 0.219 5387 P C 1.378 178.587 177.300 -0.151 0.000 1.146 5387 P CA 1.796 64.829 63.100 -0.112 0.000 0.808 5387 P CB -0.076 31.610 31.700 -0.025 0.000 0.779 5388 L N -0.779 120.369 121.223 -0.124 0.000 2.200 5388 L HA 0.010 4.349 4.340 -0.001 0.000 0.200 5388 L C 2.578 179.308 176.870 -0.234 0.000 1.072 5388 L CA 0.824 55.580 54.840 -0.141 0.000 0.787 5388 L CB -0.718 41.306 42.059 -0.058 0.000 0.957 5388 L HN -0.172 nan 8.230 nan 0.000 0.459 5389 V N -5.514 114.260 119.914 -0.233 0.000 3.471 5389 V HA 0.076 4.196 4.120 -0.001 0.000 0.258 5389 V C 1.396 177.333 176.094 -0.261 0.000 1.192 5389 V CA -0.298 61.854 62.300 -0.247 0.000 1.116 5389 V CB -0.221 31.483 31.823 -0.198 0.000 0.792 5389 V HN 0.549 nan 8.190 nan 0.000 0.459 5390 C N 0.815 119.837 119.300 -0.462 0.000 4.331 5390 C HA -0.184 4.275 4.460 -0.001 0.000 0.293 5390 C C 0.719 175.507 174.990 -0.337 0.000 1.436 5390 C CA 0.323 58.865 59.018 -0.793 0.000 1.993 5390 C CB -2.772 24.591 27.740 -0.628 0.000 1.266 5390 C HN 0.683 nan 8.230 nan 0.000 0.795 5391 I N 1.449 122.063 120.570 0.072 0.000 2.337 5391 I HA 0.410 4.579 4.170 -0.001 0.000 0.291 5391 I C 1.061 177.532 176.117 0.591 0.000 1.046 5391 I CA 0.257 61.795 61.300 0.397 0.000 1.324 5391 I CB 0.732 39.003 38.000 0.452 0.000 1.409 5391 I HN 0.450 nan 8.210 nan 0.000 0.494 5392 A N 6.240 129.355 122.820 0.491 0.000 2.555 5392 A HA -0.019 4.301 4.320 -0.001 0.000 0.233 5392 A C 1.541 179.283 177.584 0.264 0.000 1.060 5392 A CA 0.022 52.310 52.037 0.418 0.000 0.759 5392 A CB 0.177 19.320 19.000 0.239 0.000 0.995 5392 A HN 0.925 nan 8.150 nan 0.000 0.506 5393 K N 0.749 121.143 120.400 -0.010 0.000 2.103 5393 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 5393 K C 1.607 178.091 176.600 -0.193 0.000 1.048 5393 K CA 2.148 58.170 56.287 -0.442 0.000 0.930 5393 K CB -0.153 31.692 32.500 -1.091 0.000 0.716 5393 K HN 0.878 nan 8.250 nan 0.000 0.444 5394 E N 0.392 120.534 120.200 -0.095 0.000 2.204 5394 E HA -0.174 4.176 4.350 -0.001 0.000 0.195 5394 E C 1.667 178.279 176.600 0.021 0.000 0.990 5394 E CA 0.948 57.322 56.400 -0.042 0.000 0.821 5394 E CB -0.112 29.578 29.700 -0.017 0.000 0.750 5394 E HN 0.359 nan 8.360 nan 0.000 0.477 5395 L N 0.665 121.938 121.223 0.083 0.000 2.585 5395 L HA 0.063 4.403 4.340 -0.001 0.000 0.226 5395 L C 2.005 178.970 176.870 0.159 0.000 1.113 5395 L CA -0.274 54.644 54.840 0.129 0.000 0.876 5395 L CB -0.207 41.968 42.059 0.194 0.000 1.072 5395 L HN 0.105 nan 8.230 nan 0.000 0.468 5396 I N 1.127 121.788 120.570 0.152 0.000 2.145 5396 I HA -0.203 3.967 4.170 -0.001 0.000 0.244 5396 I C 0.078 176.288 176.117 0.154 0.000 1.075 5396 I CA 2.023 63.434 61.300 0.184 0.000 1.332 5396 I CB -2.310 35.780 38.000 0.149 0.000 1.033 5396 I HN 0.173 nan 8.210 nan 0.000 0.410 5397 P HA -0.160 nan 4.420 nan 0.000 0.214 5397 P C 1.618 178.978 177.300 0.100 0.000 1.163 5397 P CA 1.524 64.674 63.100 0.084 0.000 0.883 5397 P CB -0.080 31.648 31.700 0.047 0.000 0.788 5398 E N -0.219 120.043 120.200 0.105 0.000 2.049 5398 E HA -0.246 4.104 4.350 -0.001 0.000 0.198 5398 E C 2.102 178.808 176.600 0.177 0.000 1.007 5398 E CA 1.539 58.016 56.400 0.127 0.000 0.809 5398 E CB -0.869 28.910 29.700 0.131 0.000 0.749 5398 E HN 0.153 nan 8.360 nan 0.000 0.450 5399 A N 1.306 124.260 122.820 0.223 0.000 1.865 5399 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 5399 A C 2.496 180.187 177.584 0.178 0.000 1.191 5399 A CA 2.353 54.533 52.037 0.238 0.000 0.623 5399 A CB -1.188 18.006 19.000 0.324 0.000 0.826 5399 A HN 0.241 nan 8.150 nan 0.000 0.444 5400 T N -0.544 114.123 114.554 0.189 0.000 2.720 5400 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 5400 T C 1.901 176.689 174.700 0.148 0.000 1.037 5400 T CA 1.822 64.037 62.100 0.191 0.000 1.144 5400 T CB -0.228 68.749 68.868 0.181 0.000 0.864 5400 T HN 0.640 nan 8.240 nan 0.000 0.444 5401 E N 1.367 121.624 120.200 0.095 0.000 2.072 5401 E HA -0.072 4.278 4.350 -0.001 0.000 0.190 5401 E C 2.035 178.633 176.600 -0.003 0.000 0.982 5401 E CA 1.089 57.518 56.400 0.048 0.000 0.803 5401 E CB -0.220 29.498 29.700 0.030 0.000 0.755 5401 E HN 0.265 nan 8.360 nan 0.000 0.453 5402 K N -1.026 119.337 120.400 -0.063 0.000 2.281 5402 K HA -0.140 4.180 4.320 -0.001 0.000 0.203 5402 K C 1.125 177.580 176.600 -0.241 0.000 1.046 5402 K CA 1.336 57.456 56.287 -0.278 0.000 0.938 5402 K CB -0.332 31.720 32.500 -0.746 0.000 0.737 5402 K HN 0.267 nan 8.250 nan 0.000 0.458 5403 Y N -0.997 119.190 120.300 -0.188 0.000 2.559 5403 Y HA 0.269 4.818 4.550 -0.001 0.000 0.279 5403 Y C 1.321 177.216 175.900 -0.009 0.000 1.117 5403 Y CA 0.405 58.452 58.100 -0.089 0.000 1.263 5403 Y CB 0.622 39.083 38.460 0.001 0.000 1.230 5403 Y HN -0.112 nan 8.280 nan 0.000 0.528 5404 L N -1.829 119.496 121.223 0.170 0.000 2.664 5404 L HA 0.329 4.669 4.340 -0.001 0.000 0.233 5404 L C 2.092 178.999 176.870 0.062 0.000 1.113 5404 L CA 0.604 55.520 54.840 0.126 0.000 0.896 5404 L CB -0.232 41.920 42.059 0.155 0.000 1.163 5404 L HN 0.154 nan 8.230 nan 0.000 0.497 5405 G N 0.487 109.306 108.800 0.032 0.000 2.625 5405 G HA2 -0.060 3.900 3.960 -0.001 0.000 0.214 5405 G HA3 -0.060 3.900 3.960 -0.001 0.000 0.214 5405 G C 1.417 176.312 174.900 -0.007 0.000 1.132 5405 G CA 0.678 45.783 45.100 0.008 0.000 0.782 5405 G HN 0.421 nan 8.290 nan 0.000 0.538 5406 G N -0.122 108.668 108.800 -0.016 0.000 2.505 5406 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.214 5406 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.214 5406 G C 1.110 176.006 174.900 -0.006 0.000 1.237 5406 G CA 1.314 46.399 45.100 -0.025 0.000 0.802 5406 G HN 0.458 nan 8.290 nan 0.000 0.549 5407 T N -1.245 113.314 114.554 0.008 0.000 2.793 5407 T HA 0.328 4.678 4.350 -0.001 0.000 0.299 5407 T C 0.525 175.236 174.700 0.018 0.000 1.038 5407 T CA 0.542 62.651 62.100 0.014 0.000 0.948 5407 T CB 1.220 70.103 68.868 0.025 0.000 1.231 5407 T HN 0.107 nan 8.240 nan 0.000 0.538 5408 D N -0.959 119.453 120.400 0.019 0.000 2.480 5408 D HA 0.174 4.813 4.640 -0.001 0.000 0.243 5408 D C -0.506 175.808 176.300 0.023 0.000 1.120 5408 D CA -0.190 53.821 54.000 0.019 0.000 0.835 5408 D CB 0.304 41.111 40.800 0.013 0.000 1.204 5408 D HN 0.631 nan 8.370 nan 0.000 0.513 5409 D N 0.091 120.507 120.400 0.026 0.000 2.210 5409 D HA -0.016 4.624 4.640 -0.001 0.000 0.249 5409 D C 1.258 177.580 176.300 0.037 0.000 1.078 5409 D CA -0.056 53.961 54.000 0.028 0.000 0.875 5409 D CB 1.664 42.480 40.800 0.027 0.000 1.175 5409 D HN -0.008 nan 8.370 nan 0.000 0.440 5410 T N -0.050 114.524 114.554 0.034 0.000 3.118 5410 T HA -0.088 4.261 4.350 -0.001 0.000 0.269 5410 T C 1.446 176.177 174.700 0.050 0.000 1.166 5410 T CA 0.742 62.864 62.100 0.038 0.000 1.073 5410 T CB -0.335 68.550 68.868 0.027 0.000 0.884 5410 T HN 0.277 nan 8.240 nan 0.000 0.550 5411 V N 0.866 120.811 119.914 0.051 0.000 2.341 5411 V HA 0.067 4.186 4.120 -0.001 0.000 0.240 5411 V C 2.736 178.876 176.094 0.076 0.000 1.035 5411 V CA 1.238 63.574 62.300 0.061 0.000 1.033 5411 V CB -0.335 31.518 31.823 0.049 0.000 0.678 5411 V HN 0.403 nan 8.190 nan 0.000 0.464 5412 K N 0.173 120.613 120.400 0.068 0.000 2.148 5412 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 5412 K C 2.224 178.886 176.600 0.102 0.000 1.050 5412 K CA 1.154 57.487 56.287 0.077 0.000 0.942 5412 K CB -0.167 32.367 32.500 0.057 0.000 0.724 5412 K HN 0.307 nan 8.250 nan 0.000 0.446 5413 K N 1.168 121.625 120.400 0.096 0.000 2.063 5413 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 5413 K C 2.162 178.865 176.600 0.172 0.000 1.048 5413 K CA 1.296 57.655 56.287 0.120 0.000 0.928 5413 K CB 0.015 32.567 32.500 0.086 0.000 0.713 5413 K HN 0.040 nan 8.250 nan 0.000 0.442 5414 K N 0.822 121.313 120.400 0.151 0.000 2.057 5414 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 5414 K C 1.409 178.168 176.600 0.265 0.000 1.050 5414 K CA 1.777 58.185 56.287 0.202 0.000 0.935 5414 K CB 0.033 32.624 32.500 0.152 0.000 0.715 5414 K HN 0.092 nan 8.250 nan 0.000 0.439 5415 D N 1.111 121.630 120.400 0.199 0.000 2.123 5415 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 5415 D C 1.984 178.413 176.300 0.215 0.000 0.992 5415 D CA 1.073 55.187 54.000 0.190 0.000 0.833 5415 D CB -0.228 40.656 40.800 0.139 0.000 0.954 5415 D HN 0.256 nan 8.370 nan 0.000 0.455 5416 L N -0.375 120.983 121.223 0.225 0.000 2.201 5416 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 5416 L C 2.318 179.382 176.870 0.323 0.000 1.105 5416 L CA 0.455 55.458 54.840 0.271 0.000 0.775 5416 L CB -0.363 41.841 42.059 0.243 0.000 0.913 5416 L HN -0.052 nan 8.230 nan 0.000 0.440 5417 F N 0.666 120.712 119.950 0.160 0.000 2.186 5417 F HA -0.128 4.398 4.527 -0.001 0.000 0.299 5417 F C 2.071 177.912 175.800 0.069 0.000 1.090 5417 F CA 1.304 59.370 58.000 0.109 0.000 1.307 5417 F CB -0.052 39.019 39.000 0.119 0.000 1.019 5417 F HN -0.127 nan 8.300 nan 0.000 0.489 5418 L N -0.229 121.078 121.223 0.140 0.000 2.376 5418 L HA -0.122 4.217 4.340 -0.001 0.000 0.219 5418 L C 1.554 178.432 176.870 0.012 0.000 1.133 5418 L CA 0.727 55.604 54.840 0.062 0.000 0.816 5418 L CB -0.638 41.579 42.059 0.263 0.000 0.933 5418 L HN 0.077 nan 8.230 nan 0.000 0.449 5419 D N -0.103 120.344 120.400 0.078 0.000 2.213 5419 D HA -0.090 4.549 4.640 -0.001 0.000 0.205 5419 D C 2.141 178.491 176.300 0.083 0.000 0.961 5419 D CA 0.611 54.704 54.000 0.155 0.000 0.853 5419 D CB 0.236 41.206 40.800 0.284 0.000 0.967 5419 D HN 0.211 nan 8.370 nan 0.000 0.496 5420 L N 0.618 121.738 121.223 -0.171 0.000 1.976 5420 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 5420 L C 2.054 178.645 176.870 -0.466 0.000 1.071 5420 L CA 1.053 55.536 54.840 -0.594 0.000 0.746 5420 L CB -0.124 41.483 42.059 -0.753 0.000 0.890 5420 L HN -0.076 nan 8.230 nan 0.000 0.432 5421 I N 0.750 120.958 120.570 -0.604 0.000 2.118 5421 I HA -0.330 3.840 4.170 -0.001 0.000 0.241 5421 I C 2.941 178.801 176.117 -0.428 0.000 1.070 5421 I CA 1.750 62.632 61.300 -0.697 0.000 1.327 5421 I CB -2.015 35.223 38.000 -1.270 0.000 1.034 5421 I HN 0.386 nan 8.210 nan 0.000 0.405 5422 A N 0.628 123.321 122.820 -0.211 0.000 1.917 5422 A HA -0.249 4.071 4.320 -0.001 0.000 0.219 5422 A C 2.009 179.631 177.584 0.063 0.000 1.182 5422 A CA 2.260 54.348 52.037 0.085 0.000 0.633 5422 A CB -0.705 18.391 19.000 0.161 0.000 0.819 5422 A HN 0.416 nan 8.150 nan 0.000 0.448 5423 D N -0.576 119.808 120.400 -0.027 0.000 2.144 5423 D HA -0.066 4.574 4.640 -0.001 0.000 0.200 5423 D C 2.043 178.172 176.300 -0.284 0.000 0.978 5423 D CA 1.304 55.281 54.000 -0.038 0.000 0.833 5423 D CB -0.335 40.556 40.800 0.152 0.000 0.961 5423 D HN 0.234 nan 8.370 nan 0.000 0.470 5424 V N 0.716 120.322 119.914 -0.513 0.000 2.453 5424 V HA -0.174 3.945 4.120 -0.001 0.000 0.247 5424 V C 2.394 178.232 176.094 -0.426 0.000 1.048 5424 V CA 1.200 63.102 62.300 -0.663 0.000 1.049 5424 V CB -0.273 31.090 31.823 -0.765 0.000 0.672 5424 V HN 0.199 nan 8.190 nan 0.000 0.457 5425 M N -1.764 117.608 119.600 -0.381 0.000 2.248 5425 M HA 0.052 4.531 4.480 -0.001 0.000 0.265 5425 M C 1.742 177.558 176.300 -0.807 0.000 1.079 5425 M CA 2.048 56.996 55.300 -0.587 0.000 1.150 5425 M CB -0.017 32.228 32.600 -0.592 0.000 1.366 5425 M HN 0.376 nan 8.290 nan 0.000 0.433 5426 F N -2.058 117.843 119.950 -0.082 0.000 2.577 5426 F HA 0.356 4.882 4.527 -0.001 0.000 0.282 5426 F C 2.228 177.989 175.800 -0.065 0.000 0.957 5426 F CA 0.100 58.072 58.000 -0.047 0.000 1.168 5426 F CB -1.300 37.712 39.000 0.020 0.000 0.958 5426 F HN 0.036 nan 8.300 nan 0.000 0.702 5427 G N 1.416 110.308 108.800 0.154 0.000 2.777 5427 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 5427 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 5427 G C 1.712 176.614 174.900 0.003 0.000 1.295 5427 G CA 2.179 47.317 45.100 0.063 0.000 0.800 5427 G HN 0.150 nan 8.290 nan 0.000 0.637 5428 V N 2.415 122.315 119.914 -0.023 0.000 2.261 5428 V HA -0.119 4.001 4.120 -0.001 0.000 0.246 5428 V C 0.500 176.569 176.094 -0.043 0.000 1.047 5428 V CA 2.444 64.732 62.300 -0.020 0.000 1.015 5428 V CB -1.312 30.492 31.823 -0.032 0.000 0.642 5428 V HN 0.293 nan 8.190 nan 0.000 0.446 5429 P HA -0.166 nan 4.420 nan 0.000 0.216 5429 P C 2.070 179.328 177.300 -0.070 0.000 1.157 5429 P CA 2.139 65.193 63.100 -0.077 0.000 0.880 5429 P CB -0.127 31.496 31.700 -0.129 0.000 0.791 5430 S N -0.700 114.959 115.700 -0.068 0.000 2.359 5430 S HA -0.155 4.315 4.470 -0.001 0.000 0.222 5430 S C 1.985 176.488 174.600 -0.162 0.000 1.038 5430 S CA 1.735 59.869 58.200 -0.109 0.000 1.051 5430 S CB -1.399 61.743 63.200 -0.097 0.000 0.944 5430 S HN -0.057 nan 8.310 nan 0.000 0.433 5431 V N 2.065 121.896 119.914 -0.139 0.000 2.469 5431 V HA -0.168 3.951 4.120 -0.001 0.000 0.251 5431 V C 1.987 178.034 176.094 -0.078 0.000 1.064 5431 V CA 1.412 63.623 62.300 -0.148 0.000 1.066 5431 V CB -0.783 30.993 31.823 -0.078 0.000 0.667 5431 V HN 0.459 nan 8.190 nan 0.000 0.461 5432 I N -0.615 119.931 120.570 -0.040 0.000 2.315 5432 I HA -0.167 4.003 4.170 -0.001 0.000 0.248 5432 I C 2.376 178.486 176.117 -0.011 0.000 1.117 5432 I CA 1.043 62.342 61.300 -0.001 0.000 1.404 5432 I CB -0.316 37.690 38.000 0.010 0.000 1.071 5432 I HN 0.167 nan 8.210 nan 0.000 0.419 5433 V N 1.114 120.996 119.914 -0.054 0.000 2.358 5433 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 5433 V C 2.724 178.772 176.094 -0.078 0.000 1.047 5433 V CA 1.973 64.242 62.300 -0.051 0.000 1.035 5433 V CB -0.784 30.987 31.823 -0.088 0.000 0.658 5433 V HN 0.472 nan 8.190 nan 0.000 0.452 5434 A N -0.060 122.642 122.820 -0.197 0.000 1.877 5434 A HA -0.230 4.089 4.320 -0.001 0.000 0.216 5434 A C 2.349 179.938 177.584 0.008 0.000 1.186 5434 A CA 1.851 53.734 52.037 -0.256 0.000 0.620 5434 A CB -0.508 18.128 19.000 -0.607 0.000 0.822 5434 A HN 0.502 nan 8.150 nan 0.000 0.443 5435 R N -0.234 120.321 120.500 0.091 0.000 2.091 5435 R HA -0.145 4.194 4.340 -0.001 0.000 0.238 5435 R C 2.021 178.414 176.300 0.154 0.000 1.136 5435 R CA 1.783 58.023 56.100 0.234 0.000 0.959 5435 R CB -0.530 29.882 30.300 0.187 0.000 0.856 5435 R HN 0.711 nan 8.270 nan 0.000 0.437 5436 N N -0.611 118.158 118.700 0.115 0.000 2.166 5436 N HA -0.192 4.548 4.740 -0.001 0.000 0.186 5436 N C 1.755 177.348 175.510 0.139 0.000 1.019 5436 N CA 0.844 53.957 53.050 0.104 0.000 0.856 5436 N CB -0.152 38.387 38.487 0.087 0.000 0.993 5436 N HN 0.263 nan 8.380 nan 0.000 0.426 5437 H N 1.691 120.808 119.070 0.077 0.000 2.326 5437 H HA 0.003 4.558 4.556 -0.001 0.000 0.301 5437 H C 2.224 177.611 175.328 0.097 0.000 1.081 5437 H CA 1.510 57.624 56.048 0.110 0.000 1.334 5437 H CB 0.030 29.883 29.762 0.151 0.000 1.385 5437 H HN 0.018 nan 8.280 nan 0.000 0.504 5438 R N 0.373 120.952 120.500 0.132 0.000 2.080 5438 R HA -0.140 4.199 4.340 -0.001 0.000 0.236 5438 R C 1.138 177.441 176.300 0.004 0.000 1.137 5438 R CA 2.098 58.238 56.100 0.067 0.000 0.943 5438 R CB -0.274 30.127 30.300 0.167 0.000 0.846 5438 R HN 0.407 nan 8.270 nan 0.000 0.431 5439 D N 0.001 120.421 120.400 0.032 0.000 2.378 5439 D HA -0.082 4.557 4.640 -0.001 0.000 0.222 5439 D C 1.200 177.497 176.300 -0.006 0.000 0.980 5439 D CA 1.027 55.036 54.000 0.014 0.000 0.907 5439 D CB 0.189 41.007 40.800 0.030 0.000 0.899 5439 D HN 0.448 nan 8.370 nan 0.000 0.527 5440 A N -0.323 122.478 122.820 -0.032 0.000 2.195 5440 A HA 0.439 4.758 4.320 -0.001 0.000 0.210 5440 A C 1.856 179.401 177.584 -0.066 0.000 1.165 5440 A CA 0.985 52.994 52.037 -0.047 0.000 0.806 5440 A CB 0.257 19.225 19.000 -0.053 0.000 0.847 5440 A HN 0.242 nan 8.150 nan 0.000 0.482 5441 G N -2.340 106.408 108.800 -0.088 0.000 2.184 5441 G HA2 0.184 4.143 3.960 -0.001 0.000 0.206 5441 G HA3 0.184 4.143 3.960 -0.001 0.000 0.206 5441 G C 0.343 175.181 174.900 -0.103 0.000 0.995 5441 G CA 0.156 45.215 45.100 -0.070 0.000 0.651 5441 G HN 1.482 nan 8.290 nan 0.000 0.511 5442 A N 0.187 122.872 122.820 -0.225 0.000 2.294 5442 A HA 0.859 5.178 4.320 -0.001 0.000 0.330 5442 A C -2.572 174.946 177.584 -0.111 0.000 1.133 5442 A CA -1.550 50.368 52.037 -0.199 0.000 0.836 5442 A CB 0.893 19.702 19.000 -0.318 0.000 1.190 5442 A HN 0.056 nan 8.150 nan 0.000 0.492 5443 P HA 0.250 nan 4.420 nan 0.000 0.270 5443 P C -0.630 176.806 177.300 0.226 0.000 1.242 5443 P CA 0.669 63.823 63.100 0.089 0.000 0.768 5443 P CB 0.713 32.514 31.700 0.169 0.000 0.820 5444 T N 3.579 118.158 114.554 0.041 0.000 2.887 5444 T HA 0.584 4.934 4.350 -0.001 0.000 0.288 5444 T C -0.927 173.657 174.700 -0.193 0.000 1.021 5444 T CA -0.235 61.946 62.100 0.135 0.000 1.000 5444 T CB 0.765 69.783 68.868 0.250 0.000 1.034 5444 T HN 0.121 nan 8.240 nan 0.000 0.467 5445 Y N 0.858 121.170 120.300 0.019 0.000 2.534 5445 Y HA 0.664 5.213 4.550 -0.001 0.000 0.345 5445 Y C -0.096 175.816 175.900 0.020 0.000 1.031 5445 Y CA -1.123 56.975 58.100 -0.002 0.000 1.022 5445 Y CB 1.999 40.187 38.460 -0.453 0.000 1.292 5445 Y HN 0.366 nan 8.280 nan 0.000 0.459 5446 M N 2.732 122.623 119.600 0.486 0.000 2.658 5446 M HA 0.590 5.069 4.480 -0.001 0.000 0.295 5446 M C -1.642 174.991 176.300 0.556 0.000 1.248 5446 M CA -1.036 54.416 55.300 0.253 0.000 0.843 5446 M CB 3.380 35.918 32.600 -0.104 0.000 1.749 5446 M HN 0.766 nan 8.290 nan 0.000 0.464 5447 Y N -1.511 118.950 120.300 0.268 0.000 2.624 5447 Y HA 0.675 5.224 4.550 -0.001 0.000 0.334 5447 Y C -1.704 174.298 175.900 0.170 0.000 1.155 5447 Y CA -1.018 57.175 58.100 0.156 0.000 1.046 5447 Y CB 1.440 39.892 38.460 -0.015 0.000 1.316 5447 Y HN 0.714 nan 8.280 nan 0.000 0.457 5448 E N 2.791 123.237 120.200 0.411 0.000 2.255 5448 E HA 0.329 4.678 4.350 -0.001 0.000 0.256 5448 E C -2.196 174.672 176.600 0.447 0.000 0.887 5448 E CA -0.809 55.780 56.400 0.314 0.000 0.782 5448 E CB 1.119 30.966 29.700 0.245 0.000 1.214 5448 E HN 0.634 nan 8.360 nan 0.000 0.417 5449 F N 3.983 124.157 119.950 0.372 0.000 2.424 5449 F HA 0.213 4.739 4.527 -0.001 0.000 0.356 5449 F C -0.197 175.722 175.800 0.198 0.000 1.110 5449 F CA -0.023 58.141 58.000 0.273 0.000 1.161 5449 F CB 1.024 40.199 39.000 0.292 0.000 1.115 5449 F HN 0.483 nan 8.300 nan 0.000 0.507 5450 Q N 7.197 126.863 119.800 -0.223 0.000 2.558 5450 Q HA 0.321 4.660 4.340 -0.001 0.000 0.252 5450 Q C -2.221 173.642 176.000 -0.227 0.000 1.015 5450 Q CA -0.598 55.131 55.803 -0.123 0.000 0.720 5450 Q CB 0.850 29.576 28.738 -0.020 0.000 1.215 5450 Q HN 0.794 nan 8.270 nan 0.000 0.500 5451 Y N 0.895 120.973 120.300 -0.370 0.000 2.620 5451 Y HA 0.339 4.888 4.550 -0.001 0.000 0.331 5451 Y C -2.013 173.862 175.900 -0.043 0.000 1.173 5451 Y CA -0.904 57.027 58.100 -0.281 0.000 1.076 5451 Y CB 1.418 39.569 38.460 -0.514 0.000 1.336 5451 Y HN 0.506 nan 8.280 nan 0.000 0.459 5452 R N 6.666 126.766 120.500 -0.667 0.000 2.332 5452 R HA 0.427 4.766 4.340 -0.001 0.000 0.306 5452 R C -2.753 173.262 176.300 -0.476 0.000 1.117 5452 R CA -2.023 53.847 56.100 -0.383 0.000 1.108 5452 R CB 0.752 30.852 30.300 -0.334 0.000 1.126 5452 R HN 0.429 nan 8.270 nan 0.000 0.548 5453 P HA -0.064 nan 4.420 nan 0.000 0.267 5453 P C 0.435 177.529 177.300 -0.344 0.000 1.200 5453 P CA 0.244 63.322 63.100 -0.036 0.000 0.772 5453 P CB 1.244 32.984 31.700 0.067 0.000 0.855 5454 S N 1.600 116.971 115.700 -0.549 0.000 2.474 5454 S HA -0.113 4.356 4.470 -0.001 0.000 0.235 5454 S C 1.321 175.577 174.600 -0.573 0.000 0.997 5454 S CA 0.543 58.393 58.200 -0.583 0.000 0.949 5454 S CB -1.198 61.606 63.200 -0.660 0.000 0.766 5454 S HN 0.426 nan 8.310 nan 0.000 0.517 5455 F N 2.363 122.094 119.950 -0.365 0.000 2.769 5455 F HA 0.320 4.847 4.527 -0.001 0.000 0.304 5455 F C 1.443 176.975 175.800 -0.447 0.000 1.158 5455 F CA -0.460 57.257 58.000 -0.472 0.000 1.398 5455 F CB -0.401 38.120 39.000 -0.799 0.000 1.094 5455 F HN 0.066 nan 8.300 nan 0.000 0.553 5456 S N -0.002 115.556 115.700 -0.236 0.000 2.587 5456 S HA 0.014 4.484 4.470 -0.001 0.000 0.260 5456 S C 0.526 175.077 174.600 -0.083 0.000 1.353 5456 S CA -0.541 57.579 58.200 -0.133 0.000 0.995 5456 S CB 0.791 63.892 63.200 -0.166 0.000 0.912 5456 S HN 0.229 nan 8.310 nan 0.000 0.568 5457 S N 0.171 115.832 115.700 -0.065 0.000 2.528 5457 S HA 0.092 4.562 4.470 -0.001 0.000 0.277 5457 S C 0.612 175.116 174.600 -0.160 0.000 1.297 5457 S CA -0.624 57.546 58.200 -0.049 0.000 1.052 5457 S CB 0.091 63.340 63.200 0.081 0.000 0.917 5457 S HN 0.599 nan 8.310 nan 0.000 0.492 5458 D N 4.093 124.442 120.400 -0.085 0.000 2.191 5458 D HA -0.220 4.419 4.640 -0.001 0.000 0.195 5458 D C 1.548 177.766 176.300 -0.138 0.000 1.003 5458 D CA 1.974 55.916 54.000 -0.096 0.000 0.867 5458 D CB -0.141 40.634 40.800 -0.042 0.000 0.926 5458 D HN 0.659 nan 8.370 nan 0.000 0.450 5459 M N -0.125 119.406 119.600 -0.114 0.000 2.630 5459 M HA -0.022 4.458 4.480 -0.001 0.000 0.254 5459 M C 0.764 176.801 176.300 -0.439 0.000 1.092 5459 M CA 0.468 55.710 55.300 -0.096 0.000 1.087 5459 M CB 0.033 32.733 32.600 0.165 0.000 1.453 5459 M HN -0.147 nan 8.290 nan 0.000 0.509 5460 K N 3.505 123.409 120.400 -0.827 0.000 2.276 5460 K HA 0.226 4.546 4.320 -0.001 0.000 0.285 5460 K C -2.348 173.863 176.600 -0.648 0.000 1.062 5460 K CA -1.671 53.802 56.287 -1.356 0.000 0.918 5460 K CB 0.835 32.600 32.500 -1.226 0.000 1.055 5460 K HN -0.065 nan 8.250 nan 0.000 0.477 5461 P HA -0.010 nan 4.420 nan 0.000 0.271 5461 P C -0.232 176.938 177.300 -0.217 0.000 1.216 5461 P CA -0.030 62.916 63.100 -0.258 0.000 0.776 5461 P CB 0.767 32.374 31.700 -0.154 0.000 0.881 5462 K N 1.050 121.351 120.400 -0.165 0.000 2.360 5462 K HA -0.125 4.195 4.320 -0.001 0.000 0.201 5462 K C 1.160 177.691 176.600 -0.116 0.000 1.046 5462 K CA 1.805 58.004 56.287 -0.147 0.000 0.940 5462 K CB -1.242 31.183 32.500 -0.125 0.000 0.748 5462 K HN 0.418 nan 8.250 nan 0.000 0.465 5463 T N -0.573 113.929 114.554 -0.087 0.000 2.995 5463 T HA 0.042 4.391 4.350 -0.001 0.000 0.269 5463 T C 0.912 175.592 174.700 -0.032 0.000 1.091 5463 T CA 0.101 62.171 62.100 -0.050 0.000 1.128 5463 T CB -0.206 68.650 68.868 -0.020 0.000 0.891 5463 T HN 0.006 nan 8.240 nan 0.000 0.492 5464 V N 2.385 122.275 119.914 -0.040 0.000 2.455 5464 V HA 0.357 4.476 4.120 -0.001 0.000 0.273 5464 V C -0.258 175.835 176.094 -0.002 0.000 1.045 5464 V CA -0.611 61.695 62.300 0.009 0.000 0.976 5464 V CB 0.239 32.086 31.823 0.039 0.000 0.993 5464 V HN 0.298 nan 8.190 nan 0.000 0.475 5465 I N 3.771 124.356 120.570 0.025 0.000 2.436 5465 I HA 0.705 4.874 4.170 -0.001 0.000 0.289 5465 I C 0.708 176.878 176.117 0.088 0.000 1.010 5465 I CA 0.124 61.431 61.300 0.013 0.000 1.098 5465 I CB 1.563 39.543 38.000 -0.033 0.000 1.266 5465 I HN 0.777 nan 8.210 nan 0.000 0.434 5466 G N 3.596 112.488 108.800 0.153 0.000 2.204 5466 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.244 5466 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.244 5466 G C -0.049 175.001 174.900 0.250 0.000 1.062 5466 G CA 0.055 45.312 45.100 0.261 0.000 0.798 5466 G HN 0.693 nan 8.290 nan 0.000 0.496 5467 D N -0.774 119.774 120.400 0.247 0.000 2.369 5467 D HA 0.332 4.972 4.640 -0.001 0.000 0.241 5467 D C 0.901 177.363 176.300 0.270 0.000 1.271 5467 D CA -0.279 53.878 54.000 0.261 0.000 0.942 5467 D CB 0.320 41.300 40.800 0.299 0.000 1.129 5467 D HN 0.393 nan 8.370 nan 0.000 0.476 5468 H N -0.777 118.384 119.070 0.152 0.000 2.886 5468 H HA 0.346 4.901 4.556 -0.001 0.000 0.329 5468 H C 1.291 176.744 175.328 0.208 0.000 1.044 5468 H CA 1.583 57.686 56.048 0.091 0.000 1.456 5468 H CB 0.287 30.066 29.762 0.028 0.000 1.464 5468 H HN 0.586 nan 8.280 nan 0.000 0.573 5469 G N 4.339 112.935 108.800 -0.340 0.000 2.179 5469 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.260 5469 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.260 5469 G C 1.140 175.993 174.900 -0.079 0.000 0.977 5469 G CA 0.474 45.373 45.100 -0.335 0.000 0.641 5469 G HN 0.674 nan 8.290 nan 0.000 0.533 5470 D N 0.924 121.411 120.400 0.145 0.000 2.309 5470 D HA -0.043 4.596 4.640 -0.001 0.000 0.212 5470 D C 2.418 178.782 176.300 0.108 0.000 0.968 5470 D CA 1.303 55.516 54.000 0.355 0.000 0.882 5470 D CB 0.008 41.101 40.800 0.488 0.000 0.918 5470 D HN 0.767 nan 8.370 nan 0.000 0.503 5471 E N 1.098 121.016 120.200 -0.470 0.000 2.216 5471 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 5471 E C 2.292 178.560 176.600 -0.554 0.000 0.988 5471 E CA 0.124 55.832 56.400 -1.154 0.000 0.834 5471 E CB -0.750 28.251 29.700 -1.165 0.000 0.772 5471 E HN 0.300 nan 8.360 nan 0.000 0.479 5472 L N 0.029 121.011 121.223 -0.402 0.000 2.051 5472 L HA -0.214 4.126 4.340 -0.001 0.000 0.214 5472 L C 2.643 179.312 176.870 -0.336 0.000 1.076 5472 L CA 1.924 56.524 54.840 -0.400 0.000 0.758 5472 L CB -0.775 40.937 42.059 -0.577 0.000 0.890 5472 L HN 0.038 nan 8.230 nan 0.000 0.433 5473 F N -0.450 119.488 119.950 -0.021 0.000 2.333 5473 F HA -0.180 4.347 4.527 -0.001 0.000 0.300 5473 F C 2.563 178.370 175.800 0.010 0.000 1.083 5473 F CA 1.187 59.217 58.000 0.050 0.000 1.395 5473 F CB -0.532 38.627 39.000 0.266 0.000 1.056 5473 F HN 0.030 nan 8.300 nan 0.000 0.529 5474 S N -0.623 115.102 115.700 0.041 0.000 2.404 5474 S HA -0.050 4.419 4.470 -0.001 0.000 0.223 5474 S C 2.153 176.583 174.600 -0.284 0.000 1.040 5474 S CA 0.604 58.760 58.200 -0.073 0.000 0.957 5474 S CB -0.439 62.711 63.200 -0.084 0.000 0.826 5474 S HN 0.147 nan 8.310 nan 0.000 0.491 5475 V N 0.794 120.398 119.914 -0.517 0.000 2.759 5475 V HA -0.006 4.113 4.120 -0.001 0.000 0.256 5475 V C 1.036 176.644 176.094 -0.809 0.000 1.080 5475 V CA 1.493 63.293 62.300 -0.833 0.000 1.101 5475 V CB -0.603 30.593 31.823 -1.044 0.000 0.698 5475 V HN 0.477 nan 8.190 nan 0.000 0.477 5476 F N -0.398 119.372 119.950 -0.301 0.000 2.661 5476 F HA 0.460 4.987 4.527 -0.001 0.000 0.306 5476 F C 1.619 177.350 175.800 -0.115 0.000 1.094 5476 F CA 0.500 58.356 58.000 -0.240 0.000 1.254 5476 F CB 0.408 39.217 39.000 -0.319 0.000 1.040 5476 F HN 0.176 nan 8.300 nan 0.000 0.562 5477 G N 1.149 109.997 108.800 0.081 0.000 2.295 5477 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.287 5477 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.287 5477 G C 1.235 176.251 174.900 0.193 0.000 1.055 5477 G CA 0.307 45.566 45.100 0.264 0.000 0.922 5477 G HN 0.555 nan 8.290 nan 0.000 0.503 5478 A N 0.049 122.894 122.820 0.042 0.000 1.986 5478 A HA 0.054 4.374 4.320 -0.001 0.000 0.220 5478 A C 0.618 178.086 177.584 -0.193 0.000 1.171 5478 A CA 2.233 54.142 52.037 -0.213 0.000 0.640 5478 A CB -0.782 17.875 19.000 -0.571 0.000 0.811 5478 A HN 0.485 nan 8.150 nan 0.000 0.451 5479 P HA -0.094 nan 4.420 nan 0.000 0.223 5479 P C 0.456 177.514 177.300 -0.402 0.000 1.144 5479 P CA 0.893 63.898 63.100 -0.158 0.000 0.783 5479 P CB -0.135 31.317 31.700 -0.412 0.000 0.771 5480 F N -2.888 117.098 119.950 0.060 0.000 2.695 5480 F HA 0.239 4.765 4.527 -0.001 0.000 0.303 5480 F C 1.690 177.533 175.800 0.071 0.000 1.091 5480 F CA 0.234 58.285 58.000 0.085 0.000 1.300 5480 F CB -0.094 38.963 39.000 0.095 0.000 1.071 5480 F HN -0.185 nan 8.300 nan 0.000 0.578 5481 L N -1.462 119.839 121.223 0.129 0.000 2.663 5481 L HA 0.233 4.572 4.340 -0.001 0.000 0.218 5481 L C 0.704 177.576 176.870 0.003 0.000 1.043 5481 L CA 0.106 54.986 54.840 0.066 0.000 0.876 5481 L CB 0.166 42.240 42.059 0.026 0.000 1.263 5481 L HN -0.260 nan 8.230 nan 0.000 0.486 5482 K N 1.054 121.405 120.400 -0.082 0.000 2.087 5482 K HA 0.304 4.624 4.320 -0.001 0.000 0.255 5482 K C -0.405 176.253 176.600 0.097 0.000 0.988 5482 K CA -0.391 55.858 56.287 -0.063 0.000 0.915 5482 K CB 1.241 33.541 32.500 -0.334 0.000 1.043 5482 K HN 0.017 nan 8.250 nan 0.000 0.457 5483 E N -0.424 119.852 120.200 0.126 0.000 2.312 5483 E HA 0.191 4.540 4.350 -0.001 0.000 0.259 5483 E C 0.302 176.991 176.600 0.149 0.000 1.122 5483 E CA -0.277 56.194 56.400 0.119 0.000 0.922 5483 E CB 0.614 30.358 29.700 0.074 0.000 1.109 5483 E HN 0.776 nan 8.360 nan 0.000 0.442 5484 G N 0.261 109.102 108.800 0.069 0.000 2.323 5484 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.292 5484 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.292 5484 G C -0.048 174.824 174.900 -0.047 0.000 1.040 5484 G CA 0.280 45.387 45.100 0.012 0.000 0.942 5484 G HN 0.598 nan 8.290 nan 0.000 0.506 5485 A N 0.106 122.909 122.820 -0.028 0.000 2.290 5485 A HA 0.852 5.171 4.320 -0.001 0.000 0.310 5485 A C 0.880 178.411 177.584 -0.088 0.000 1.202 5485 A CA 0.622 52.593 52.037 -0.111 0.000 0.837 5485 A CB 0.750 19.731 19.000 -0.031 0.000 1.139 5485 A HN 1.981 nan 8.150 nan 0.000 0.509 5486 S N 1.320 116.961 115.700 -0.099 0.000 2.589 5486 S HA 0.131 4.601 4.470 -0.001 0.000 0.265 5486 S C 0.930 175.501 174.600 -0.049 0.000 1.342 5486 S CA 0.495 58.659 58.200 -0.059 0.000 1.005 5486 S CB 0.753 63.925 63.200 -0.047 0.000 0.909 5486 S HN 0.753 nan 8.310 nan 0.000 0.555 5487 E N 0.723 120.905 120.200 -0.030 0.000 2.110 5487 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 5487 E C 1.946 178.530 176.600 -0.026 0.000 0.988 5487 E CA 1.979 58.366 56.400 -0.022 0.000 0.804 5487 E CB -0.443 29.253 29.700 -0.006 0.000 0.745 5487 E HN 0.874 nan 8.360 nan 0.000 0.458 5488 E N 0.260 120.448 120.200 -0.019 0.000 2.085 5488 E HA -0.289 4.060 4.350 -0.001 0.000 0.194 5488 E C 2.064 178.627 176.600 -0.062 0.000 0.994 5488 E CA 1.514 57.902 56.400 -0.019 0.000 0.801 5488 E CB -0.211 29.501 29.700 0.020 0.000 0.743 5488 E HN 0.413 nan 8.360 nan 0.000 0.453 5489 E N 0.242 120.412 120.200 -0.049 0.000 2.077 5489 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 5489 E C 2.162 178.684 176.600 -0.130 0.000 0.989 5489 E CA 1.351 57.689 56.400 -0.102 0.000 0.800 5489 E CB -0.099 29.574 29.700 -0.045 0.000 0.746 5489 E HN 0.417 nan 8.360 nan 0.000 0.452 5490 I N 0.486 120.980 120.570 -0.126 0.000 2.454 5490 I HA -0.240 3.929 4.170 -0.001 0.000 0.254 5490 I C 2.426 178.512 176.117 -0.052 0.000 1.156 5490 I CA 0.835 62.027 61.300 -0.180 0.000 1.433 5490 I CB -0.223 37.682 38.000 -0.158 0.000 1.082 5490 I HN 0.076 nan 8.210 nan 0.000 0.432 5491 R N 0.268 120.745 120.500 -0.038 0.000 2.055 5491 R HA -0.075 4.264 4.340 -0.001 0.000 0.226 5491 R C 2.300 178.584 176.300 -0.027 0.000 1.135 5491 R CA 0.859 56.956 56.100 -0.005 0.000 0.959 5491 R CB -0.568 29.723 30.300 -0.015 0.000 0.854 5491 R HN 0.166 nan 8.270 nan 0.000 0.431 5492 L N 1.020 122.184 121.223 -0.098 0.000 2.129 5492 L HA -0.189 4.151 4.340 -0.001 0.000 0.212 5492 L C 2.312 179.144 176.870 -0.063 0.000 1.087 5492 L CA 1.752 56.514 54.840 -0.129 0.000 0.757 5492 L CB -0.546 41.308 42.059 -0.340 0.000 0.896 5492 L HN 0.067 nan 8.230 nan 0.000 0.434 5493 S N -1.055 114.620 115.700 -0.040 0.000 2.357 5493 S HA -0.157 4.313 4.470 -0.001 0.000 0.221 5493 S C 1.991 176.624 174.600 0.054 0.000 1.031 5493 S CA 1.163 59.370 58.200 0.011 0.000 0.982 5493 S CB -0.128 63.101 63.200 0.048 0.000 0.853 5493 S HN 0.542 nan 8.310 nan 0.000 0.458 5494 K N 0.663 121.137 120.400 0.124 0.000 2.103 5494 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 5494 K C 2.303 178.910 176.600 0.012 0.000 1.048 5494 K CA 1.602 57.948 56.287 0.099 0.000 0.930 5494 K CB -0.295 32.301 32.500 0.159 0.000 0.716 5494 K HN 0.461 nan 8.250 nan 0.000 0.444 5495 M N 0.910 120.507 119.600 -0.006 0.000 2.099 5495 M HA -0.149 4.331 4.480 -0.001 0.000 0.262 5495 M C 2.065 178.377 176.300 0.021 0.000 1.067 5495 M CA 1.434 56.699 55.300 -0.060 0.000 1.124 5495 M CB 0.028 32.614 32.600 -0.023 0.000 1.353 5495 M HN -0.069 nan 8.290 nan 0.000 0.410 5496 V N 1.337 121.285 119.914 0.058 0.000 2.287 5496 V HA -0.350 3.769 4.120 -0.001 0.000 0.248 5496 V C 2.487 178.568 176.094 -0.021 0.000 1.053 5496 V CA 2.260 64.569 62.300 0.015 0.000 1.027 5496 V CB -0.658 30.974 31.823 -0.319 0.000 0.646 5496 V HN 0.573 nan 8.190 nan 0.000 0.447 5497 M N -0.677 118.858 119.600 -0.109 0.000 2.080 5497 M HA -0.249 4.231 4.480 -0.001 0.000 0.260 5497 M C 2.357 178.704 176.300 0.079 0.000 1.068 5497 M CA 2.075 57.328 55.300 -0.078 0.000 1.109 5497 M CB -0.591 31.940 32.600 -0.115 0.000 1.342 5497 M HN 0.231 nan 8.290 nan 0.000 0.405 5498 K N 0.333 120.762 120.400 0.049 0.000 2.057 5498 K HA -0.132 4.188 4.320 -0.001 0.000 0.207 5498 K C 1.789 178.477 176.600 0.146 0.000 1.049 5498 K CA 1.488 57.799 56.287 0.040 0.000 0.931 5498 K CB -0.162 32.298 32.500 -0.066 0.000 0.714 5498 K HN 0.182 nan 8.250 nan 0.000 0.440 5499 F N -0.393 119.700 119.950 0.237 0.000 2.126 5499 F HA -0.254 4.272 4.527 -0.001 0.000 0.299 5499 F C 2.273 178.258 175.800 0.308 0.000 1.096 5499 F CA 0.767 58.953 58.000 0.310 0.000 1.255 5499 F CB -0.107 39.204 39.000 0.518 0.000 0.997 5499 F HN 0.254 nan 8.300 nan 0.000 0.479 5500 W N -0.165 121.240 121.300 0.175 0.000 2.381 5500 W HA -0.198 4.461 4.660 -0.001 0.000 0.301 5500 W C 2.545 179.084 176.519 0.035 0.000 1.205 5500 W CA 0.940 58.308 57.345 0.038 0.000 1.285 5500 W CB -0.467 28.959 29.460 -0.056 0.000 1.133 5500 W HN -0.005 nan 8.180 nan 0.000 0.521 5501 A N 0.678 123.649 122.820 0.252 0.000 1.898 5501 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 5501 A C 1.680 179.326 177.584 0.103 0.000 1.181 5501 A CA 1.656 53.768 52.037 0.124 0.000 0.620 5501 A CB -1.025 18.027 19.000 0.086 0.000 0.819 5501 A HN 0.208 nan 8.150 nan 0.000 0.442 5502 N N -0.891 117.888 118.700 0.132 0.000 2.205 5502 N HA -0.150 4.590 4.740 -0.001 0.000 0.186 5502 N C 1.326 176.875 175.510 0.065 0.000 1.015 5502 N CA 1.430 54.538 53.050 0.096 0.000 0.862 5502 N CB -0.577 37.988 38.487 0.131 0.000 0.986 5502 N HN 0.554 nan 8.380 nan 0.000 0.429 5503 F N 1.460 121.358 119.950 -0.087 0.000 2.163 5503 F HA 0.093 4.619 4.527 -0.001 0.000 0.297 5503 F C 2.166 177.892 175.800 -0.122 0.000 1.094 5503 F CA 0.837 58.725 58.000 -0.187 0.000 1.290 5503 F CB -0.334 38.459 39.000 -0.345 0.000 1.017 5503 F HN 0.013 nan 8.300 nan 0.000 0.483 5504 A N 0.979 123.808 122.820 0.015 0.000 2.024 5504 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 5504 A C 1.912 179.445 177.584 -0.085 0.000 1.164 5504 A CA 1.717 53.726 52.037 -0.048 0.000 0.643 5504 A CB -0.721 18.268 19.000 -0.018 0.000 0.806 5504 A HN 0.592 nan 8.150 nan 0.000 0.451 5505 R N -2.679 117.773 120.500 -0.080 0.000 2.629 5505 R HA 0.353 4.692 4.340 -0.001 0.000 0.386 5505 R C -0.212 176.032 176.300 -0.094 0.000 1.071 5505 R CA -0.047 56.013 56.100 -0.068 0.000 1.104 5505 R CB 0.063 30.350 30.300 -0.021 0.000 1.370 5505 R HN 0.265 nan 8.270 nan 0.000 0.574 5506 N N -0.164 118.435 118.700 -0.169 0.000 1.963 5506 N HA 0.054 4.793 4.740 -0.001 0.000 0.244 5506 N C 0.816 176.183 175.510 -0.238 0.000 1.288 5506 N CA 0.968 53.928 53.050 -0.150 0.000 0.800 5506 N CB 1.499 39.938 38.487 -0.080 0.000 1.293 5506 N HN 0.343 nan 8.380 nan 0.000 0.483 5507 G N 1.489 109.974 108.800 -0.524 0.000 2.179 5507 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.260 5507 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.260 5507 G C -0.090 174.588 174.900 -0.370 0.000 0.977 5507 G CA 0.465 45.141 45.100 -0.708 0.000 0.641 5507 G HN 0.412 nan 8.290 nan 0.000 0.533 5508 N N -0.145 118.417 118.700 -0.230 0.000 2.430 5508 N HA 0.480 5.220 4.740 -0.001 0.000 0.290 5508 N C -1.625 173.830 175.510 -0.092 0.000 1.063 5508 N CA -1.721 51.272 53.050 -0.095 0.000 0.883 5508 N CB 2.562 41.073 38.487 0.040 0.000 1.465 5508 N HN -0.028 nan 8.380 nan 0.000 0.493 5509 P HA 0.003 nan 4.420 nan 0.000 0.231 5509 P C -0.356 177.108 177.300 0.273 0.000 1.168 5509 P CA 0.256 63.329 63.100 -0.045 0.000 0.779 5509 P CB 0.368 31.747 31.700 -0.536 0.000 0.844 5510 N N 0.975 119.784 118.700 0.182 0.000 2.441 5510 N HA 0.270 5.010 4.740 -0.001 0.000 0.251 5510 N C 0.896 176.536 175.510 0.217 0.000 1.242 5510 N CA 1.104 54.344 53.050 0.317 0.000 0.898 5510 N CB 0.517 39.175 38.487 0.284 0.000 1.100 5510 N HN 0.143 nan 8.380 nan 0.000 0.443 5511 G N -0.162 108.752 108.800 0.189 0.000 2.576 5511 G HA2 0.102 4.061 3.960 -0.001 0.000 0.290 5511 G HA3 0.102 4.061 3.960 -0.001 0.000 0.290 5511 G C -1.354 173.587 174.900 0.069 0.000 1.442 5511 G CA -0.685 44.473 45.100 0.097 0.000 0.792 5511 G HN 0.468 nan 8.290 nan 0.000 0.491 5512 E N -0.242 119.987 120.200 0.049 0.000 2.493 5512 E HA 0.379 4.728 4.350 -0.001 0.000 0.255 5512 E C 1.218 177.826 176.600 0.014 0.000 0.999 5512 E CA 1.375 57.797 56.400 0.038 0.000 0.934 5512 E CB 0.108 29.827 29.700 0.032 0.000 0.940 5512 E HN 1.809 nan 8.360 nan 0.000 0.473 5513 G N 3.946 112.758 108.800 0.020 0.000 2.130 5513 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.216 5513 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.216 5513 G C -0.198 174.685 174.900 -0.028 0.000 0.999 5513 G CA 0.101 45.202 45.100 0.002 0.000 0.686 5513 G HN 0.452 nan 8.290 nan 0.000 0.515 5514 L N 0.863 122.078 121.223 -0.013 0.000 2.401 5514 L HA 0.556 4.896 4.340 -0.001 0.000 0.266 5514 L C -1.648 175.315 176.870 0.155 0.000 0.991 5514 L CA -2.368 52.438 54.840 -0.056 0.000 0.818 5514 L CB 2.133 43.974 42.059 -0.362 0.000 1.321 5514 L HN -0.046 nan 8.230 nan 0.000 0.413 5515 P HA -0.049 nan 4.420 nan 0.000 0.269 5515 P C -0.977 176.576 177.300 0.421 0.000 1.211 5515 P CA -0.084 63.180 63.100 0.274 0.000 0.781 5515 P CB 0.477 32.312 31.700 0.225 0.000 0.877 5516 H N 1.046 120.257 119.070 0.234 0.000 2.722 5516 H HA 0.207 4.762 4.556 -0.001 0.000 0.328 5516 H C -0.947 174.553 175.328 0.285 0.000 1.067 5516 H CA 0.051 56.260 56.048 0.269 0.000 1.447 5516 H CB 0.204 30.077 29.762 0.185 0.000 1.469 5516 H HN 0.377 nan 8.280 nan 0.000 0.544 5517 W N 9.592 130.633 121.300 -0.432 0.000 2.294 5517 W HA 0.311 4.971 4.660 -0.001 0.000 0.314 5517 W C -2.784 173.503 176.519 -0.387 0.000 1.044 5517 W CA -3.083 54.064 57.345 -0.330 0.000 1.284 5517 W CB 1.021 30.276 29.460 -0.342 0.000 1.231 5517 W HN 0.561 nan 8.180 nan 0.000 0.419 5518 P HA 0.081 nan 4.420 nan 0.000 0.278 5518 P C -0.419 177.105 177.300 0.373 0.000 1.238 5518 P CA 0.013 63.260 63.100 0.244 0.000 0.794 5518 P CB 1.494 33.322 31.700 0.212 0.000 0.955 5519 E N 1.557 121.859 120.200 0.170 0.000 2.373 5519 E HA -0.029 4.321 4.350 -0.001 0.000 0.267 5519 E C -0.874 175.693 176.600 -0.055 0.000 1.032 5519 E CA -0.467 55.816 56.400 -0.195 0.000 0.889 5519 E CB 0.190 29.761 29.700 -0.215 0.000 0.984 5519 E HN 0.373 nan 8.360 nan 0.000 0.425 5520 Y N 6.054 126.224 120.300 -0.218 0.000 2.594 5520 Y HA 0.067 4.617 4.550 -0.001 0.000 0.344 5520 Y C -0.372 175.496 175.900 -0.053 0.000 1.185 5520 Y CA -0.210 57.868 58.100 -0.036 0.000 1.565 5520 Y CB -0.537 37.926 38.460 0.005 0.000 1.415 5520 Y HN 0.514 nan 8.280 nan 0.000 0.488 5521 N N 0.660 119.190 118.700 -0.283 0.000 3.040 5521 N HA 0.134 4.874 4.740 -0.001 0.000 0.339 5521 N C 0.568 175.898 175.510 -0.299 0.000 1.387 5521 N CA -0.475 52.445 53.050 -0.217 0.000 0.745 5521 N CB 0.180 38.601 38.487 -0.110 0.000 1.237 5521 N HN 0.213 nan 8.380 nan 0.000 0.565 5522 Q N -0.206 119.496 119.800 -0.162 0.000 2.368 5522 Q HA -0.042 4.297 4.340 -0.001 0.000 0.210 5522 Q C 0.785 176.700 176.000 -0.142 0.000 0.982 5522 Q CA 1.232 56.954 55.803 -0.134 0.000 0.884 5522 Q CB -0.369 28.329 28.738 -0.067 0.000 0.933 5522 Q HN 0.622 nan 8.270 nan 0.000 0.460 5523 K N 0.446 120.758 120.400 -0.147 0.000 2.418 5523 K HA -0.005 4.315 4.320 -0.001 0.000 0.195 5523 K C -0.020 176.501 176.600 -0.131 0.000 1.035 5523 K CA -0.005 56.224 56.287 -0.096 0.000 1.003 5523 K CB 0.352 32.825 32.500 -0.046 0.000 0.793 5523 K HN 0.198 nan 8.250 nan 0.000 0.494 5524 E N -0.068 119.920 120.200 -0.353 0.000 2.513 5524 E HA -0.145 4.205 4.350 -0.001 0.000 0.257 5524 E C -0.040 176.563 176.600 0.005 0.000 1.098 5524 E CA 0.163 56.254 56.400 -0.514 0.000 0.752 5524 E CB -1.697 27.901 29.700 -0.171 0.000 1.324 5524 E HN 0.488 nan 8.360 nan 0.000 0.403 5525 G N 0.866 109.682 108.800 0.026 0.000 2.403 5525 G HA2 0.391 4.351 3.960 -0.001 0.000 0.259 5525 G HA3 0.391 4.351 3.960 -0.001 0.000 0.259 5525 G C -0.324 174.829 174.900 0.422 0.000 1.244 5525 G CA 0.054 45.269 45.100 0.191 0.000 0.849 5525 G HN 0.295 nan 8.290 nan 0.000 0.532 5526 Y N 0.560 120.982 120.300 0.204 0.000 2.615 5526 Y HA 0.707 5.256 4.550 -0.001 0.000 0.341 5526 Y C -1.295 174.565 175.900 -0.066 0.000 1.089 5526 Y CA -1.911 56.312 58.100 0.204 0.000 1.049 5526 Y CB 1.608 40.193 38.460 0.208 0.000 1.296 5526 Y HN 0.533 nan 8.280 nan 0.000 0.470 5527 L N 2.700 123.679 121.223 -0.407 0.000 2.307 5527 L HA 0.449 4.788 4.340 -0.001 0.000 0.282 5527 L C -0.743 175.898 176.870 -0.380 0.000 1.051 5527 L CA -0.355 54.022 54.840 -0.771 0.000 0.804 5527 L CB 1.604 42.593 42.059 -1.783 0.000 1.197 5527 L HN 0.775 nan 8.230 nan 0.000 0.431 5528 Q N 6.180 125.792 119.800 -0.313 0.000 2.430 5528 Q HA 0.434 4.773 4.340 -0.001 0.000 0.245 5528 Q C -0.996 174.944 176.000 -0.101 0.000 1.021 5528 Q CA -0.233 55.515 55.803 -0.091 0.000 0.867 5528 Q CB 1.301 29.983 28.738 -0.093 0.000 1.210 5528 Q HN 0.597 nan 8.270 nan 0.000 0.487 5529 I N 1.434 121.982 120.570 -0.038 0.000 2.396 5529 I HA 0.655 4.824 4.170 -0.001 0.000 0.292 5529 I C 0.781 176.786 176.117 -0.187 0.000 0.999 5529 I CA -0.218 61.045 61.300 -0.062 0.000 1.310 5529 I CB 1.420 39.450 38.000 0.049 0.000 1.404 5529 I HN 0.734 nan 8.210 nan 0.000 0.496 5530 G N 3.012 111.686 108.800 -0.209 0.000 2.392 5530 G HA2 0.355 4.315 3.960 -0.001 0.000 0.260 5530 G HA3 0.355 4.315 3.960 -0.001 0.000 0.260 5530 G C 0.240 175.051 174.900 -0.149 0.000 1.226 5530 G CA 0.072 45.014 45.100 -0.263 0.000 0.913 5530 G HN 0.586 nan 8.290 nan 0.000 0.483 5531 A N -0.185 122.631 122.820 -0.006 0.000 1.851 5531 A HA 0.097 4.417 4.320 -0.001 0.000 0.216 5531 A C 1.039 178.613 177.584 -0.018 0.000 1.195 5531 A CA 1.732 53.782 52.037 0.020 0.000 0.622 5531 A CB -0.810 18.243 19.000 0.088 0.000 0.831 5531 A HN 0.610 nan 8.150 nan 0.000 0.444 5532 N N -0.150 118.541 118.700 -0.014 0.000 2.444 5532 N HA 0.423 5.162 4.740 -0.001 0.000 0.262 5532 N C -1.398 174.096 175.510 -0.025 0.000 0.974 5532 N CA -0.228 52.814 53.050 -0.013 0.000 0.933 5532 N CB 1.417 39.900 38.487 -0.007 0.000 1.137 5532 N HN 0.143 nan 8.380 nan 0.000 0.498 5533 T N 2.966 117.512 114.554 -0.014 0.000 2.794 5533 T HA 0.396 4.745 4.350 -0.001 0.000 0.280 5533 T C -0.550 174.139 174.700 -0.018 0.000 0.987 5533 T CA -0.689 61.399 62.100 -0.021 0.000 0.993 5533 T CB 1.099 69.983 68.868 0.027 0.000 0.939 5533 T HN 0.492 nan 8.240 nan 0.000 0.449 5534 Q N 1.323 121.079 119.800 -0.074 0.000 2.666 5534 Q HA 0.553 4.892 4.340 -0.001 0.000 0.276 5534 Q C -1.204 174.695 176.000 -0.168 0.000 0.952 5534 Q CA -1.038 54.721 55.803 -0.072 0.000 0.850 5534 Q CB 0.889 29.607 28.738 -0.033 0.000 1.512 5534 Q HN 0.685 nan 8.270 nan 0.000 0.395 5535 A N 1.019 123.755 122.820 -0.141 0.000 2.475 5535 A HA 0.717 5.037 4.320 -0.001 0.000 0.239 5535 A C 0.116 177.530 177.584 -0.282 0.000 1.087 5535 A CA 0.862 52.770 52.037 -0.215 0.000 0.779 5535 A CB -0.204 18.762 19.000 -0.058 0.000 1.036 5535 A HN 1.641 nan 8.150 nan 0.000 0.506 5536 A N -0.140 122.419 122.820 -0.434 0.000 2.536 5536 A HA 0.686 5.005 4.320 -0.001 0.000 0.293 5536 A C -0.962 176.477 177.584 -0.242 0.000 1.119 5536 A CA -0.567 51.228 52.037 -0.403 0.000 0.654 5536 A CB 0.752 19.371 19.000 -0.635 0.000 1.291 5536 A HN 0.879 nan 8.150 nan 0.000 0.439 5537 Q N 0.082 119.924 119.800 0.070 0.000 2.495 5537 Q HA 0.562 4.902 4.340 -0.001 0.000 0.287 5537 Q C -1.103 175.108 176.000 0.351 0.000 1.078 5537 Q CA -1.110 54.845 55.803 0.254 0.000 0.793 5537 Q CB 1.791 30.596 28.738 0.111 0.000 1.459 5537 Q HN 0.584 nan 8.270 nan 0.000 0.422 5538 K N 0.247 120.806 120.400 0.266 0.000 3.071 5538 K HA -0.205 4.114 4.320 -0.001 0.000 0.265 5538 K C -0.410 176.268 176.600 0.129 0.000 1.060 5538 K CA 0.223 56.613 56.287 0.172 0.000 0.767 5538 K CB -1.986 30.582 32.500 0.114 0.000 1.241 5538 K HN 0.663 nan 8.250 nan 0.000 0.486 5539 L N 1.689 122.927 121.223 0.024 0.000 2.678 5539 L HA -0.083 4.257 4.340 -0.001 0.000 0.285 5539 L C 0.789 177.594 176.870 -0.108 0.000 1.233 5539 L CA 1.115 55.767 54.840 -0.314 0.000 0.920 5539 L CB 0.190 41.648 42.059 -1.001 0.000 1.176 5539 L HN 0.324 nan 8.230 nan 0.000 0.495 5540 K N 2.752 123.121 120.400 -0.052 0.000 2.960 5540 K HA -0.304 4.016 4.320 -0.001 0.000 0.259 5540 K C 0.957 177.592 176.600 0.058 0.000 1.025 5540 K CA 1.208 57.507 56.287 0.021 0.000 0.756 5540 K CB -1.442 31.067 32.500 0.015 0.000 1.221 5540 K HN 0.953 nan 8.250 nan 0.000 0.483 5541 D N 1.079 121.514 120.400 0.058 0.000 2.103 5541 D HA -0.136 4.503 4.640 -0.001 0.000 0.190 5541 D C 1.573 177.919 176.300 0.076 0.000 0.997 5541 D CA 1.701 55.744 54.000 0.072 0.000 0.833 5541 D CB 0.190 41.032 40.800 0.069 0.000 0.961 5541 D HN 0.479 nan 8.370 nan 0.000 0.447 5542 K N -0.167 120.271 120.400 0.064 0.000 2.097 5542 K HA -0.125 4.194 4.320 -0.001 0.000 0.205 5542 K C 2.200 178.863 176.600 0.105 0.000 1.050 5542 K CA 0.987 57.309 56.287 0.059 0.000 0.938 5542 K CB -0.004 32.506 32.500 0.016 0.000 0.718 5542 K HN 0.107 nan 8.250 nan 0.000 0.442 5543 E N 0.615 120.900 120.200 0.142 0.000 2.023 5543 E HA -0.162 4.187 4.350 -0.001 0.000 0.196 5543 E C 1.963 178.772 176.600 0.349 0.000 1.003 5543 E CA 1.173 57.748 56.400 0.292 0.000 0.809 5543 E CB -0.359 29.535 29.700 0.324 0.000 0.755 5543 E HN -0.040 nan 8.360 nan 0.000 0.449 5544 V N 1.053 121.105 119.914 0.230 0.000 2.439 5544 V HA -0.350 3.769 4.120 -0.001 0.000 0.253 5544 V C 2.100 178.281 176.094 0.145 0.000 1.074 5544 V CA 1.939 64.346 62.300 0.178 0.000 1.076 5544 V CB -0.943 30.946 31.823 0.111 0.000 0.664 5544 V HN 0.372 nan 8.190 nan 0.000 0.461 5545 A N -0.280 122.613 122.820 0.122 0.000 1.840 5545 A HA -0.177 4.142 4.320 -0.001 0.000 0.214 5545 A C 2.085 179.687 177.584 0.031 0.000 1.198 5545 A CA 1.711 53.791 52.037 0.073 0.000 0.608 5545 A CB -0.763 18.277 19.000 0.068 0.000 0.839 5545 A HN 0.517 nan 8.150 nan 0.000 0.443 5546 F N -0.702 119.192 119.950 -0.094 0.000 2.154 5546 F HA -0.215 4.312 4.527 -0.001 0.000 0.301 5546 F C 1.841 177.434 175.800 -0.346 0.000 1.087 5546 F CA 1.643 59.495 58.000 -0.247 0.000 1.274 5546 F CB -0.410 38.368 39.000 -0.370 0.000 1.009 5546 F HN 0.407 nan 8.300 nan 0.000 0.485 5547 W N 0.198 121.261 121.300 -0.395 0.000 2.481 5547 W HA -0.061 4.598 4.660 -0.001 0.000 0.293 5547 W C 2.609 178.814 176.519 -0.522 0.000 1.201 5547 W CA 1.410 58.350 57.345 -0.675 0.000 1.328 5547 W CB -0.893 28.272 29.460 -0.491 0.000 1.112 5547 W HN -0.219 nan 8.180 nan 0.000 0.546 5548 T N 0.313 114.858 114.554 -0.014 0.000 2.684 5548 T HA -0.296 4.054 4.350 -0.001 0.000 0.267 5548 T C 1.386 176.092 174.700 0.009 0.000 1.036 5548 T CA 1.908 64.038 62.100 0.051 0.000 1.148 5548 T CB -0.636 68.266 68.868 0.057 0.000 0.863 5548 T HN 0.157 nan 8.240 nan 0.000 0.436 5549 N N 1.120 119.767 118.700 -0.087 0.000 2.028 5549 N HA -0.083 4.656 4.740 -0.001 0.000 0.194 5549 N C 1.823 177.266 175.510 -0.112 0.000 1.050 5549 N CA 1.128 54.125 53.050 -0.089 0.000 0.848 5549 N CB -0.690 37.730 38.487 -0.112 0.000 1.038 5549 N HN 0.197 nan 8.380 nan 0.000 0.423 5550 L N 0.020 121.056 121.223 -0.310 0.000 2.089 5550 L HA -0.092 4.247 4.340 -0.001 0.000 0.213 5550 L C 1.841 178.738 176.870 0.045 0.000 1.079 5550 L CA 1.704 56.378 54.840 -0.277 0.000 0.758 5550 L CB -1.035 40.588 42.059 -0.727 0.000 0.891 5550 L HN 0.362 nan 8.230 nan 0.000 0.433 5551 F N -0.966 118.960 119.950 -0.041 0.000 2.546 5551 F HA -0.041 4.486 4.527 -0.001 0.000 0.298 5551 F C 1.903 177.707 175.800 0.008 0.000 1.120 5551 F CA 0.091 58.108 58.000 0.027 0.000 1.456 5551 F CB -0.082 38.950 39.000 0.054 0.000 1.088 5551 F HN 0.298 nan 8.300 nan 0.000 0.572 5552 A N 0.202 123.124 122.820 0.170 0.000 2.507 5552 A HA 0.179 4.498 4.320 -0.001 0.000 0.270 5552 A C 0.503 178.123 177.584 0.060 0.000 1.318 5552 A CA -0.293 51.798 52.037 0.091 0.000 0.924 5552 A CB -0.218 18.819 19.000 0.062 0.000 1.061 5552 A HN 0.118 nan 8.150 nan 0.000 0.516 5553 K N 0.000 120.443 120.400 0.072 0.000 2.780 5553 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 5553 K CA 0.000 56.317 56.287 0.050 0.000 0.838 5553 K CB 0.000 32.526 32.500 0.043 0.000 1.064 5553 K HN 0.000 nan 8.250 nan 0.000 0.543