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 2x6f_1_A DATA FIRST_RESID 291 DATA SEQUENCE ASIRDQLHTI VYRYPPTYVL SSEEQDLVWK FRFYLSSHKK ALTKFLKCIN DATA SEQUENCE WKLEDEVTQA LWMLANWAPM DVEDALELLS PTFTHPQVRK YAVSRLAQAP DATA SEQUENCE DEDLLLYLLQ LVQALKYEDP RHIVHLHGCI FPXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XNLCTFLIQR DATA SEQUENCE ACTNATLANY FYWYLSIEVE EXXXXXXQDE RAHDMYAMVL KMFLKVLENG DATA SEQUENCE NFNLRGIFYN LRKQRRFIDE LVKLVKLVAK EPGNRNKKTE KFQKLLAEQD DATA SEQUENCE MFKVNFTNFE PIPFPLDPEI YITKIVPMRT SLFKSALMPA KLTFVTSIAH DATA SEQUENCE HEYAAIFKHG DDLRQDQLIL QMITLMDKLL RRENLDLKLT PYKVLATSSK DATA SEQUENCE HGFLQYVDSC TVAEVLAREG NIHNFFRKHH PCDNGPYGIS AEVMDTYIKS DATA SEQUENCE CAGYCVITYL LGVGDRHLDN LLLTTNGKLF HIDFGYILGR DPKPMPPPMK DATA SEQUENCE LSKEMVEAMG GISSEHHHEF RKQCYTAYLH LRRHANVMLN LFSLMVDATV DATA SEQUENCE PDIALEPDKA VKKVEENLQL GLTDEEAVQH LQSLLDVSIT AVMPALVEQI DATA SEQUENCE HRFTQYWR 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 291 A HA 0.000 nan 4.320 nan 0.000 0.244 291 A C 0.000 177.521 177.584 -0.105 0.000 1.274 291 A CA 0.000 51.995 52.037 -0.071 0.000 0.836 291 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 292 S N -0.871 114.790 115.700 -0.066 0.000 2.575 292 S HA 0.337 4.809 4.470 0.004 0.000 0.230 292 S C 1.376 175.945 174.600 -0.052 0.000 1.062 292 S CA 0.908 59.071 58.200 -0.062 0.000 0.913 292 S CB 0.258 63.434 63.200 -0.040 0.000 0.837 292 S HN 0.694 nan 8.310 nan 0.000 0.487 293 I N 1.214 121.764 120.570 -0.032 0.000 3.526 293 I HA 0.237 4.409 4.170 0.004 0.000 0.294 293 I C 2.338 178.461 176.117 0.010 0.000 1.229 293 I CA 0.018 61.311 61.300 -0.012 0.000 1.408 293 I CB 0.200 38.200 38.000 -0.002 0.000 1.127 293 I HN 0.080 nan 8.210 nan 0.000 0.439 294 R N 1.222 121.729 120.500 0.011 0.000 2.091 294 R HA -0.217 4.125 4.340 0.004 0.000 0.238 294 R C 1.905 178.291 176.300 0.143 0.000 1.136 294 R CA 1.938 58.099 56.100 0.102 0.000 0.959 294 R CB -0.623 29.686 30.300 0.016 0.000 0.856 294 R HN 0.553 nan 8.270 nan 0.000 0.437 295 D N 0.288 120.642 120.400 -0.078 0.000 2.182 295 D HA -0.260 4.383 4.640 0.004 0.000 0.201 295 D C 1.712 178.016 176.300 0.007 0.000 0.986 295 D CA 1.340 55.275 54.000 -0.109 0.000 0.847 295 D CB -0.362 40.347 40.800 -0.153 0.000 0.942 295 D HN 0.325 nan 8.370 nan 0.000 0.467 296 Q N -0.197 119.610 119.800 0.011 0.000 2.212 296 Q HA 0.039 4.381 4.340 0.004 0.000 0.199 296 Q C 2.455 178.461 176.000 0.010 0.000 0.950 296 Q CA 0.316 56.115 55.803 -0.006 0.000 0.863 296 Q CB 0.086 28.814 28.738 -0.016 0.000 0.944 296 Q HN 0.359 nan 8.270 nan 0.000 0.465 297 L N -0.678 120.571 121.223 0.043 0.000 2.156 297 L HA -0.120 4.223 4.340 0.004 0.000 0.208 297 L C 2.185 179.013 176.870 -0.070 0.000 1.095 297 L CA 0.789 55.609 54.840 -0.032 0.000 0.770 297 L CB -0.597 41.438 42.059 -0.040 0.000 0.914 297 L HN 0.297 nan 8.230 nan 0.000 0.439 298 H N -0.989 118.077 119.070 -0.008 0.000 2.448 298 H HA -0.077 4.481 4.556 0.004 0.000 0.292 298 H C 2.438 177.766 175.328 -0.001 0.000 1.035 298 H CA 1.742 57.810 56.048 0.034 0.000 1.349 298 H CB 0.259 30.052 29.762 0.051 0.000 1.425 298 H HN 0.262 nan 8.280 nan 0.000 0.539 299 T N 0.633 115.186 114.554 -0.001 0.000 2.867 299 T HA -0.053 4.300 4.350 0.004 0.000 0.268 299 T C 2.062 176.717 174.700 -0.075 0.000 1.057 299 T CA 0.446 62.375 62.100 -0.285 0.000 1.136 299 T CB -0.193 68.474 68.868 -0.335 0.000 0.874 299 T HN 0.156 nan 8.240 nan 0.000 0.466 300 I N 0.957 121.561 120.570 0.057 0.000 2.315 300 I HA -0.062 4.110 4.170 0.004 0.000 0.248 300 I C 2.419 178.637 176.117 0.168 0.000 1.117 300 I CA 0.977 62.357 61.300 0.133 0.000 1.404 300 I CB -0.493 37.395 38.000 -0.187 0.000 1.071 300 I HN 0.225 nan 8.210 nan 0.000 0.419 301 V N 0.748 120.715 119.914 0.087 0.000 2.719 301 V HA -0.266 3.857 4.120 0.004 0.000 0.252 301 V C 2.218 178.450 176.094 0.230 0.000 1.065 301 V CA 1.558 63.908 62.300 0.084 0.000 1.086 301 V CB -0.838 31.002 31.823 0.029 0.000 0.700 301 V HN 0.518 nan 8.190 nan 0.000 0.467 302 Y N -0.692 119.686 120.300 0.129 0.000 2.397 302 Y HA 0.106 4.658 4.550 0.004 0.000 0.292 302 Y C 2.615 178.550 175.900 0.058 0.000 1.115 302 Y CA 0.497 58.664 58.100 0.111 0.000 1.208 302 Y CB -0.010 38.542 38.460 0.153 0.000 1.046 302 Y HN -0.041 nan 8.280 nan 0.000 0.552 303 R N -0.247 120.669 120.500 0.694 0.000 2.105 303 R HA 0.010 4.353 4.340 0.004 0.000 0.214 303 R C 1.747 178.028 176.300 -0.032 0.000 1.091 303 R CA 0.893 57.149 56.100 0.260 0.000 1.007 303 R CB -0.640 29.733 30.300 0.120 0.000 0.912 303 R HN 0.425 nan 8.270 nan 0.000 0.450 304 Y N 0.808 121.089 120.300 -0.033 0.000 2.109 304 Y HA -0.049 4.503 4.550 0.004 0.000 0.285 304 Y C -1.152 174.580 175.900 -0.280 0.000 1.131 304 Y CA 0.848 58.853 58.100 -0.159 0.000 1.121 304 Y CB -0.923 37.421 38.460 -0.193 0.000 0.987 304 Y HN 0.170 nan 8.280 nan 0.000 0.495 305 P HA 0.247 nan 4.420 nan 0.000 0.311 305 P C -2.427 174.812 177.300 -0.102 0.000 1.419 305 P CA -2.030 60.886 63.100 -0.307 0.000 1.121 305 P CB 2.832 33.961 31.700 -0.951 0.000 1.471 306 P HA 0.009 nan 4.420 nan 0.000 0.236 306 P C 1.144 178.481 177.300 0.062 0.000 1.174 306 P CA 0.837 63.934 63.100 -0.004 0.000 0.840 306 P CB 0.358 32.039 31.700 -0.032 0.000 0.947 307 T N -1.995 112.638 114.554 0.132 0.000 3.009 307 T HA 0.041 4.393 4.350 0.004 0.000 0.258 307 T C 0.740 175.585 174.700 0.242 0.000 1.063 307 T CA 0.028 62.230 62.100 0.170 0.000 1.139 307 T CB -0.918 68.051 68.868 0.168 0.000 0.890 307 T HN -0.094 nan 8.240 nan 0.000 0.471 308 Y N 1.472 121.787 120.300 0.025 0.000 2.904 308 Y HA 0.003 4.555 4.550 0.004 0.000 0.336 308 Y C 1.647 177.560 175.900 0.021 0.000 1.263 308 Y CA -0.800 57.313 58.100 0.021 0.000 1.547 308 Y CB 0.745 39.219 38.460 0.023 0.000 1.272 308 Y HN -0.091 nan 8.280 nan 0.000 0.596 309 V N 5.235 125.196 119.914 0.078 0.000 3.217 309 V HA -0.238 3.884 4.120 0.004 0.000 0.264 309 V C 2.043 178.170 176.094 0.055 0.000 1.135 309 V CA 0.785 63.108 62.300 0.038 0.000 1.142 309 V CB -0.663 31.146 31.823 -0.023 0.000 0.754 309 V HN 0.879 nan 8.190 nan 0.000 0.484 310 L N 1.485 122.777 121.223 0.115 0.000 2.040 310 L HA -0.229 4.114 4.340 0.004 0.000 0.228 310 L C 1.799 178.722 176.870 0.089 0.000 1.092 310 L CA 1.856 56.781 54.840 0.142 0.000 0.805 310 L CB -0.398 41.894 42.059 0.388 0.000 0.905 310 L HN 0.650 nan 8.230 nan 0.000 0.443 311 S N -1.162 114.596 115.700 0.097 0.000 2.673 311 S HA -0.010 4.462 4.470 0.004 0.000 0.308 311 S C 0.582 175.201 174.600 0.032 0.000 1.246 311 S CA 0.339 58.574 58.200 0.058 0.000 1.077 311 S CB 1.236 64.475 63.200 0.065 0.000 0.814 311 S HN 0.536 nan 8.310 nan 0.000 0.503 312 S N 2.077 117.790 115.700 0.022 0.000 3.552 312 S HA 0.112 4.585 4.470 0.004 0.000 0.251 312 S C 1.153 175.764 174.600 0.017 0.000 1.119 312 S CA -0.165 58.039 58.200 0.008 0.000 0.830 312 S CB -0.083 63.114 63.200 -0.005 0.000 0.946 312 S HN 0.617 nan 8.310 nan 0.000 0.470 313 E N 1.298 121.507 120.200 0.015 0.000 2.307 313 E HA 0.171 4.524 4.350 0.004 0.000 0.195 313 E C 1.574 178.192 176.600 0.029 0.000 0.975 313 E CA 0.617 57.029 56.400 0.020 0.000 0.878 313 E CB -0.291 29.413 29.700 0.007 0.000 0.845 313 E HN 0.555 nan 8.360 nan 0.000 0.488 314 E N 2.050 122.262 120.200 0.020 0.000 2.118 314 E HA -0.213 4.139 4.350 0.004 0.000 0.195 314 E C 2.058 178.693 176.600 0.058 0.000 0.992 314 E CA 1.393 57.801 56.400 0.014 0.000 0.804 314 E CB -0.338 29.354 29.700 -0.013 0.000 0.741 314 E HN 0.281 nan 8.360 nan 0.000 0.458 315 Q N 1.007 120.847 119.800 0.066 0.000 2.170 315 Q HA -0.207 4.135 4.340 0.004 0.000 0.203 315 Q C 0.923 176.998 176.000 0.124 0.000 0.976 315 Q CA 1.699 57.551 55.803 0.082 0.000 0.858 315 Q CB -0.301 28.475 28.738 0.064 0.000 0.907 315 Q HN 0.214 nan 8.270 nan 0.000 0.433 316 D N 1.165 121.636 120.400 0.119 0.000 2.162 316 D HA -0.012 4.630 4.640 0.004 0.000 0.203 316 D C 2.207 178.554 176.300 0.078 0.000 0.967 316 D CA 1.138 55.217 54.000 0.132 0.000 0.840 316 D CB 0.025 40.874 40.800 0.082 0.000 0.972 316 D HN 0.451 nan 8.370 nan 0.000 0.482 317 L N -1.808 119.457 121.223 0.070 0.000 2.179 317 L HA 0.052 4.394 4.340 0.004 0.000 0.208 317 L C 2.182 179.142 176.870 0.151 0.000 1.096 317 L CA 0.551 55.422 54.840 0.052 0.000 0.779 317 L CB -0.754 41.371 42.059 0.112 0.000 0.922 317 L HN -0.226 nan 8.230 nan 0.000 0.443 318 V N -0.217 119.856 119.914 0.265 0.000 2.407 318 V HA -0.217 3.905 4.120 0.004 0.000 0.248 318 V C 2.390 178.653 176.094 0.283 0.000 1.055 318 V CA 1.921 64.452 62.300 0.385 0.000 1.049 318 V CB -0.801 31.198 31.823 0.293 0.000 0.662 318 V HN 0.790 nan 8.190 nan 0.000 0.455 319 W N 2.662 123.925 121.300 -0.062 0.000 2.338 319 W HA -0.241 4.421 4.660 0.004 0.000 0.304 319 W C 2.450 178.892 176.519 -0.130 0.000 1.212 319 W CA 2.247 59.499 57.345 -0.156 0.000 1.264 319 W CB -0.521 28.831 29.460 -0.180 0.000 1.142 319 W HN 0.480 nan 8.180 nan 0.000 0.512 320 K N -1.113 119.238 120.400 -0.081 0.000 2.209 320 K HA -0.189 4.133 4.320 0.004 0.000 0.204 320 K C 1.663 178.110 176.600 -0.256 0.000 1.048 320 K CA 1.760 57.797 56.287 -0.416 0.000 0.940 320 K CB -1.136 30.913 32.500 -0.750 0.000 0.729 320 K HN 0.056 nan 8.250 nan 0.000 0.451 321 F N 1.460 121.469 119.950 0.099 0.000 2.698 321 F HA 0.272 4.802 4.527 0.004 0.000 0.295 321 F C 2.015 177.927 175.800 0.187 0.000 1.124 321 F CA -0.285 57.752 58.000 0.061 0.000 1.426 321 F CB -0.027 38.931 39.000 -0.071 0.000 1.120 321 F HN -0.097 nan 8.300 nan 0.000 0.583 322 R N -0.579 120.177 120.500 0.427 0.000 2.096 322 R HA -0.200 4.142 4.340 0.004 0.000 0.235 322 R C 2.052 178.597 176.300 0.409 0.000 1.127 322 R CA 1.715 58.078 56.100 0.439 0.000 0.968 322 R CB -0.791 29.747 30.300 0.398 0.000 0.861 322 R HN 0.244 nan 8.270 nan 0.000 0.440 323 F N -0.042 120.122 119.950 0.357 0.000 2.293 323 F HA -0.133 4.396 4.527 0.004 0.000 0.300 323 F C 1.426 177.434 175.800 0.346 0.000 1.086 323 F CA 1.184 59.401 58.000 0.361 0.000 1.375 323 F CB -0.009 39.228 39.000 0.395 0.000 1.045 323 F HN -0.026 nan 8.300 nan 0.000 0.516 324 Y N -0.181 120.166 120.300 0.078 0.000 2.314 324 Y HA 0.196 4.748 4.550 0.004 0.000 0.294 324 Y C 0.375 176.200 175.900 -0.125 0.000 1.139 324 Y CA 0.200 58.273 58.100 -0.045 0.000 1.162 324 Y CB 0.381 38.923 38.460 0.138 0.000 1.121 324 Y HN -0.120 nan 8.280 nan 0.000 0.529 325 L N -0.821 120.451 121.223 0.081 0.000 2.427 325 L HA 0.528 4.870 4.340 0.004 0.000 0.264 325 L C -0.313 176.419 176.870 -0.231 0.000 0.989 325 L CA -0.817 53.964 54.840 -0.098 0.000 0.865 325 L CB 1.498 43.516 42.059 -0.068 0.000 1.209 325 L HN -0.102 nan 8.230 nan 0.000 0.430 326 S N 0.511 115.871 115.700 -0.566 0.000 4.069 326 S HA 0.020 4.493 4.470 0.004 0.000 0.192 326 S C 1.403 175.698 174.600 -0.508 0.000 1.441 326 S CA 0.108 57.626 58.200 -1.137 0.000 0.994 326 S CB 0.513 62.437 63.200 -2.126 0.000 1.456 326 S HN 0.879 nan 8.310 nan 0.000 0.458 327 S N 1.392 116.982 115.700 -0.185 0.000 2.380 327 S HA -0.204 4.269 4.470 0.004 0.000 0.229 327 S C 0.674 175.231 174.600 -0.072 0.000 1.050 327 S CA 1.197 59.320 58.200 -0.129 0.000 1.100 327 S CB -0.385 62.789 63.200 -0.043 0.000 0.984 327 S HN 0.843 nan 8.310 nan 0.000 0.434 328 H N -0.477 118.728 119.070 0.226 0.000 2.946 328 H HA 0.478 5.037 4.556 0.004 0.000 0.365 328 H C 0.758 176.311 175.328 0.376 0.000 1.197 328 H CA -0.722 55.483 56.048 0.261 0.000 1.131 328 H CB 1.713 31.636 29.762 0.268 0.000 1.849 328 H HN 0.196 nan 8.280 nan 0.000 0.555 329 K N 0.685 121.315 120.400 0.384 0.000 2.113 329 K HA -0.136 4.186 4.320 0.004 0.000 0.208 329 K C 1.358 177.989 176.600 0.051 0.000 1.047 329 K CA 1.206 57.604 56.287 0.186 0.000 0.928 329 K CB 0.287 32.805 32.500 0.029 0.000 0.716 329 K HN 0.283 nan 8.250 nan 0.000 0.446 330 K N 0.735 121.108 120.400 -0.044 0.000 2.155 330 K HA 0.008 4.331 4.320 0.004 0.000 0.203 330 K C 2.297 178.899 176.600 0.002 0.000 1.052 330 K CA 1.114 57.301 56.287 -0.167 0.000 0.948 330 K CB -0.225 31.952 32.500 -0.539 0.000 0.728 330 K HN 0.182 nan 8.250 nan 0.000 0.448 331 A N 1.845 124.802 122.820 0.228 0.000 1.972 331 A HA -0.153 4.169 4.320 0.004 0.000 0.219 331 A C 2.174 179.811 177.584 0.087 0.000 1.169 331 A CA 1.091 53.367 52.037 0.398 0.000 0.635 331 A CB -0.505 18.984 19.000 0.815 0.000 0.810 331 A HN 0.205 nan 8.150 nan 0.000 0.446 332 L N 0.352 121.393 121.223 -0.304 0.000 2.083 332 L HA -0.131 4.211 4.340 0.004 0.000 0.209 332 L C 2.708 179.312 176.870 -0.443 0.000 1.083 332 L CA 2.879 57.124 54.840 -0.990 0.000 0.752 332 L CB -0.995 40.432 42.059 -1.054 0.000 0.899 332 L HN 0.559 nan 8.230 nan 0.000 0.433 333 T N -3.153 111.287 114.554 -0.190 0.000 2.904 333 T HA -0.118 4.234 4.350 0.004 0.000 0.267 333 T C 1.907 176.631 174.700 0.040 0.000 1.059 333 T CA 0.862 62.930 62.100 -0.054 0.000 1.137 333 T CB -0.176 68.664 68.868 -0.047 0.000 0.879 333 T HN 0.211 nan 8.240 nan 0.000 0.467 334 K N 0.428 120.859 120.400 0.050 0.000 2.116 334 K HA 0.156 4.478 4.320 0.004 0.000 0.203 334 K C 1.888 178.569 176.600 0.135 0.000 1.052 334 K CA 0.773 57.127 56.287 0.113 0.000 0.952 334 K CB -0.868 31.728 32.500 0.160 0.000 0.729 334 K HN 0.603 nan 8.250 nan 0.000 0.446 335 F N 1.241 121.133 119.950 -0.097 0.000 2.146 335 F HA -0.149 4.381 4.527 0.004 0.000 0.298 335 F C 1.706 177.400 175.800 -0.177 0.000 1.096 335 F CA 0.493 58.418 58.000 -0.125 0.000 1.275 335 F CB 0.125 38.932 39.000 -0.322 0.000 1.008 335 F HN -0.152 nan 8.300 nan 0.000 0.480 336 L N 1.080 122.427 121.223 0.206 0.000 2.265 336 L HA -0.185 4.157 4.340 0.004 0.000 0.215 336 L C 2.131 178.968 176.870 -0.054 0.000 1.117 336 L CA 1.518 56.397 54.840 0.064 0.000 0.782 336 L CB -1.165 40.917 42.059 0.038 0.000 0.914 336 L HN 0.207 nan 8.230 nan 0.000 0.441 337 K N -0.907 119.477 120.400 -0.026 0.000 2.217 337 K HA -0.071 4.252 4.320 0.004 0.000 0.202 337 K C 1.918 178.464 176.600 -0.090 0.000 1.051 337 K CA 1.204 57.429 56.287 -0.104 0.000 0.952 337 K CB -0.100 32.404 32.500 0.008 0.000 0.736 337 K HN 0.445 nan 8.250 nan 0.000 0.453 338 C N 0.053 119.322 119.300 -0.052 0.000 2.674 338 C HA 0.234 4.696 4.460 0.004 0.000 0.276 338 C C 2.349 177.345 174.990 0.010 0.000 1.300 338 C CA -0.475 58.541 59.018 -0.002 0.000 1.732 338 C CB -0.390 27.329 27.740 -0.034 0.000 2.076 338 C HN 0.211 nan 8.230 nan 0.000 0.548 339 I N 2.300 122.821 120.570 -0.081 0.000 2.385 339 I HA -0.022 4.151 4.170 0.004 0.000 0.244 339 I C 2.135 178.185 176.117 -0.112 0.000 1.089 339 I CA 1.151 62.363 61.300 -0.146 0.000 1.410 339 I CB -1.483 36.418 38.000 -0.165 0.000 1.117 339 I HN 0.362 nan 8.210 nan 0.000 0.429 340 N N 0.551 119.200 118.700 -0.085 0.000 2.039 340 N HA -0.256 4.486 4.740 0.004 0.000 0.193 340 N C 1.821 177.310 175.510 -0.035 0.000 1.044 340 N CA 1.780 54.785 53.050 -0.075 0.000 0.847 340 N CB -0.704 37.730 38.487 -0.089 0.000 1.030 340 N HN 0.512 nan 8.380 nan 0.000 0.422 341 W N 3.063 124.316 121.300 -0.078 0.000 2.269 341 W HA -0.251 4.411 4.660 0.004 0.000 0.336 341 W C 1.720 178.223 176.519 -0.027 0.000 1.333 341 W CA 1.619 58.935 57.345 -0.048 0.000 1.299 341 W CB -0.626 28.804 29.460 -0.050 0.000 1.126 341 W HN -0.060 nan 8.180 nan 0.000 0.474 342 K N 0.079 119.719 120.400 -1.266 0.000 3.044 342 K HA 0.103 4.426 4.320 0.004 0.000 0.336 342 K C 0.219 176.433 176.600 -0.644 0.000 1.014 342 K CA -0.210 55.121 56.287 -1.594 0.000 1.380 342 K CB -0.674 30.726 32.500 -1.833 0.000 1.480 342 K HN 0.076 nan 8.250 nan 0.000 0.595 343 L N 2.243 123.189 121.223 -0.461 0.000 2.653 343 L HA -0.145 4.198 4.340 0.004 0.000 0.288 343 L C 1.269 178.037 176.870 -0.171 0.000 1.243 343 L CA 0.419 55.118 54.840 -0.236 0.000 0.906 343 L CB 0.350 42.320 42.059 -0.149 0.000 1.154 343 L HN 0.619 nan 8.230 nan 0.000 0.498 344 E N 1.223 121.356 120.200 -0.111 0.000 2.152 344 E HA -0.208 4.145 4.350 0.004 0.000 0.192 344 E C 1.418 177.995 176.600 -0.039 0.000 0.983 344 E CA 1.084 57.447 56.400 -0.062 0.000 0.818 344 E CB 0.060 29.737 29.700 -0.037 0.000 0.758 344 E HN 0.750 nan 8.360 nan 0.000 0.467 345 D N 1.305 121.683 120.400 -0.037 0.000 2.149 345 D HA -0.209 4.433 4.640 0.004 0.000 0.201 345 D C 1.773 178.070 176.300 -0.005 0.000 0.972 345 D CA 0.857 54.849 54.000 -0.013 0.000 0.835 345 D CB 0.077 40.871 40.800 -0.009 0.000 0.966 345 D HN 0.154 nan 8.370 nan 0.000 0.476 346 E N 0.045 120.228 120.200 -0.028 0.000 2.130 346 E HA -0.163 4.189 4.350 0.004 0.000 0.196 346 E C 2.260 178.819 176.600 -0.068 0.000 0.998 346 E CA 0.995 57.368 56.400 -0.044 0.000 0.806 346 E CB 0.193 29.830 29.700 -0.105 0.000 0.738 346 E HN 0.153 nan 8.360 nan 0.000 0.459 347 V N 0.819 120.694 119.914 -0.065 0.000 2.407 347 V HA -0.279 3.843 4.120 0.004 0.000 0.248 347 V C 2.694 178.771 176.094 -0.028 0.000 1.055 347 V CA 2.156 64.415 62.300 -0.069 0.000 1.049 347 V CB -1.028 30.769 31.823 -0.043 0.000 0.662 347 V HN 0.562 nan 8.190 nan 0.000 0.455 348 T N -2.373 112.189 114.554 0.012 0.000 2.821 348 T HA -0.251 4.101 4.350 0.004 0.000 0.267 348 T C 1.820 176.580 174.700 0.100 0.000 1.046 348 T CA 1.476 63.605 62.100 0.049 0.000 1.139 348 T CB -0.275 68.617 68.868 0.039 0.000 0.871 348 T HN 0.477 nan 8.240 nan 0.000 0.454 349 Q N 0.492 120.356 119.800 0.107 0.000 2.123 349 Q HA 0.135 4.477 4.340 0.004 0.000 0.199 349 Q C 2.720 178.868 176.000 0.246 0.000 0.966 349 Q CA 1.279 57.207 55.803 0.208 0.000 0.845 349 Q CB -0.312 28.543 28.738 0.195 0.000 0.907 349 Q HN 0.746 nan 8.270 nan 0.000 0.439 350 A N 0.491 123.385 122.820 0.123 0.000 1.968 350 A HA -0.090 4.232 4.320 0.004 0.000 0.217 350 A C 1.949 179.484 177.584 -0.082 0.000 1.169 350 A CA 0.643 52.746 52.037 0.110 0.000 0.638 350 A CB -0.288 18.754 19.000 0.069 0.000 0.812 350 A HN 0.241 nan 8.150 nan 0.000 0.446 351 L N -2.178 119.027 121.223 -0.029 0.000 2.109 351 L HA -0.139 4.203 4.340 0.004 0.000 0.207 351 L C 2.343 179.229 176.870 0.026 0.000 1.086 351 L CA 1.612 56.413 54.840 -0.063 0.000 0.760 351 L CB -0.948 41.107 42.059 -0.007 0.000 0.910 351 L HN 0.825 nan 8.230 nan 0.000 0.437 352 W N 0.283 121.564 121.300 -0.032 0.000 2.436 352 W HA -0.156 4.506 4.660 0.004 0.000 0.284 352 W C 2.469 178.997 176.519 0.016 0.000 1.225 352 W CA 0.853 58.204 57.345 0.009 0.000 1.271 352 W CB -0.082 29.412 29.460 0.057 0.000 1.114 352 W HN -0.012 nan 8.180 nan 0.000 0.559 353 M N 0.344 119.924 119.600 -0.034 0.000 2.159 353 M HA -0.147 4.335 4.480 0.004 0.000 0.263 353 M C 2.268 178.456 176.300 -0.186 0.000 1.063 353 M CA 1.618 56.841 55.300 -0.128 0.000 1.110 353 M CB -1.488 31.173 32.600 0.101 0.000 1.374 353 M HN 0.333 nan 8.290 nan 0.000 0.411 354 L N -0.184 120.848 121.223 -0.317 0.000 2.179 354 L HA 0.044 4.387 4.340 0.004 0.000 0.208 354 L C 2.404 179.078 176.870 -0.326 0.000 1.096 354 L CA 1.197 55.776 54.840 -0.435 0.000 0.779 354 L CB -0.490 41.171 42.059 -0.663 0.000 0.922 354 L HN 0.142 nan 8.230 nan 0.000 0.443 355 A N 0.970 123.633 122.820 -0.261 0.000 1.972 355 A HA -0.172 4.150 4.320 0.004 0.000 0.219 355 A C 1.785 179.296 177.584 -0.121 0.000 1.169 355 A CA 1.834 53.780 52.037 -0.152 0.000 0.635 355 A CB -0.618 18.335 19.000 -0.078 0.000 0.810 355 A HN 0.803 nan 8.150 nan 0.000 0.446 356 N N -2.810 115.762 118.700 -0.214 0.000 2.227 356 N HA -0.013 4.730 4.740 0.004 0.000 0.196 356 N C 0.272 175.710 175.510 -0.120 0.000 1.142 356 N CA -0.431 52.502 53.050 -0.195 0.000 0.887 356 N CB 0.030 38.303 38.487 -0.358 0.000 1.022 356 N HN 0.609 nan 8.380 nan 0.000 0.500 357 W N 3.475 124.612 121.300 -0.271 0.000 2.293 357 W HA 0.130 4.792 4.660 0.004 0.000 0.342 357 W C 0.293 176.753 176.519 -0.100 0.000 1.274 357 W CA -0.500 56.726 57.345 -0.198 0.000 1.290 357 W CB 0.283 29.585 29.460 -0.263 0.000 1.176 357 W HN -0.034 nan 8.180 nan 0.000 0.570 358 A N 8.345 131.261 122.820 0.159 0.000 2.591 358 A HA 0.041 4.363 4.320 0.004 0.000 0.244 358 A C -1.971 175.841 177.584 0.381 0.000 1.031 358 A CA -0.553 51.634 52.037 0.249 0.000 0.767 358 A CB -0.897 18.227 19.000 0.207 0.000 0.942 358 A HN 0.305 nan 8.150 nan 0.000 0.514 359 P HA 0.181 nan 4.420 nan 0.000 0.275 359 P C -0.117 177.271 177.300 0.147 0.000 1.227 359 P CA -0.187 63.034 63.100 0.201 0.000 0.781 359 P CB 0.576 32.337 31.700 0.101 0.000 0.906 360 M N 2.174 121.857 119.600 0.138 0.000 2.243 360 M HA 0.100 4.582 4.480 0.004 0.000 0.341 360 M C 0.379 176.653 176.300 -0.042 0.000 1.130 360 M CA 0.109 55.433 55.300 0.041 0.000 1.162 360 M CB 0.225 32.866 32.600 0.067 0.000 1.497 360 M HN 0.302 nan 8.290 nan 0.000 0.456 361 D N 2.415 122.779 120.400 -0.060 0.000 2.382 361 D HA 0.051 4.693 4.640 0.004 0.000 0.245 361 D C 1.159 177.389 176.300 -0.117 0.000 1.120 361 D CA -0.047 53.904 54.000 -0.081 0.000 0.890 361 D CB 1.465 42.215 40.800 -0.083 0.000 1.201 361 D HN 0.437 nan 8.370 nan 0.000 0.433 362 V N 3.239 123.084 119.914 -0.115 0.000 2.313 362 V HA -0.309 3.813 4.120 0.004 0.000 0.253 362 V C 2.237 178.187 176.094 -0.239 0.000 1.070 362 V CA 1.804 64.010 62.300 -0.157 0.000 1.057 362 V CB -0.571 31.202 31.823 -0.083 0.000 0.653 362 V HN 0.600 nan 8.190 nan 0.000 0.450 363 E N 0.107 120.177 120.200 -0.217 0.000 2.153 363 E HA -0.219 4.133 4.350 0.004 0.000 0.194 363 E C 1.669 178.134 176.600 -0.225 0.000 0.988 363 E CA 1.457 57.699 56.400 -0.264 0.000 0.811 363 E CB -0.561 29.048 29.700 -0.152 0.000 0.746 363 E HN 0.657 nan 8.360 nan 0.000 0.466 364 D N 1.011 121.302 120.400 -0.182 0.000 2.213 364 D HA 0.073 4.715 4.640 0.004 0.000 0.205 364 D C 1.871 178.059 176.300 -0.187 0.000 0.961 364 D CA 1.043 54.944 54.000 -0.166 0.000 0.853 364 D CB 0.085 40.802 40.800 -0.138 0.000 0.967 364 D HN 0.201 nan 8.370 nan 0.000 0.496 365 A N 1.282 123.987 122.820 -0.192 0.000 1.978 365 A HA -0.141 4.181 4.320 0.004 0.000 0.220 365 A C 2.342 179.796 177.584 -0.216 0.000 1.170 365 A CA 0.845 52.766 52.037 -0.193 0.000 0.636 365 A CB -0.759 18.110 19.000 -0.219 0.000 0.810 365 A HN 0.174 nan 8.150 nan 0.000 0.448 366 L N -0.751 120.330 121.223 -0.237 0.000 2.079 366 L HA -0.235 4.108 4.340 0.004 0.000 0.210 366 L C 2.561 179.296 176.870 -0.227 0.000 1.081 366 L CA 1.845 56.552 54.840 -0.222 0.000 0.752 366 L CB -0.565 41.344 42.059 -0.251 0.000 0.896 366 L HN 0.576 nan 8.230 nan 0.000 0.433 367 E N 0.594 120.633 120.200 -0.268 0.000 2.160 367 E HA -0.222 4.130 4.350 0.004 0.000 0.195 367 E C 2.224 178.479 176.600 -0.576 0.000 0.991 367 E CA 0.979 57.163 56.400 -0.360 0.000 0.810 367 E CB 0.032 29.529 29.700 -0.338 0.000 0.742 367 E HN 0.517 nan 8.360 nan 0.000 0.466 368 L N 0.150 121.085 121.223 -0.480 0.000 2.240 368 L HA -0.088 4.254 4.340 0.004 0.000 0.211 368 L C 2.305 179.000 176.870 -0.292 0.000 1.106 368 L CA 0.498 55.040 54.840 -0.497 0.000 0.793 368 L CB -0.253 41.670 42.059 -0.227 0.000 0.927 368 L HN 0.240 nan 8.230 nan 0.000 0.446 369 L N -0.425 120.678 121.223 -0.200 0.000 2.240 369 L HA -0.004 4.339 4.340 0.004 0.000 0.211 369 L C 1.712 178.537 176.870 -0.075 0.000 1.106 369 L CA -0.047 54.748 54.840 -0.074 0.000 0.793 369 L CB -0.381 41.663 42.059 -0.025 0.000 0.927 369 L HN 0.237 nan 8.230 nan 0.000 0.446 370 S N 1.047 116.625 115.700 -0.204 0.000 2.559 370 S HA 0.001 4.473 4.470 0.004 0.000 0.282 370 S C -1.166 173.156 174.600 -0.464 0.000 1.336 370 S CA -0.813 57.192 58.200 -0.325 0.000 1.037 370 S CB 0.336 63.354 63.200 -0.302 0.000 0.853 370 S HN 0.023 nan 8.310 nan 0.000 0.523 371 P HA -0.109 nan 4.420 nan 0.000 0.218 371 P C 1.596 178.779 177.300 -0.196 0.000 1.149 371 P CA 1.897 64.545 63.100 -0.753 0.000 0.817 371 P CB -0.809 30.357 31.700 -0.891 0.000 0.785 372 T N -2.537 111.986 114.554 -0.052 0.000 2.778 372 T HA -0.150 4.202 4.350 0.004 0.000 0.269 372 T C 0.756 175.666 174.700 0.350 0.000 1.050 372 T CA 0.850 63.055 62.100 0.176 0.000 1.137 372 T CB -1.240 67.801 68.868 0.287 0.000 0.860 372 T HN 0.085 nan 8.240 nan 0.000 0.468 373 F N 2.544 122.446 119.950 -0.080 0.000 2.361 373 F HA 0.369 4.898 4.527 0.004 0.000 0.364 373 F C 1.954 177.746 175.800 -0.015 0.000 1.120 373 F CA -0.989 56.990 58.000 -0.034 0.000 1.102 373 F CB 1.388 40.366 39.000 -0.037 0.000 1.183 373 F HN 0.074 nan 8.300 nan 0.000 0.476 374 T N -0.992 113.659 114.554 0.160 0.000 2.937 374 T HA -0.139 4.213 4.350 0.004 0.000 0.260 374 T C 0.703 175.479 174.700 0.126 0.000 1.051 374 T CA 0.509 62.677 62.100 0.113 0.000 1.141 374 T CB -0.514 68.404 68.868 0.082 0.000 0.879 374 T HN 0.585 nan 8.240 nan 0.000 0.459 375 H N 2.933 122.031 119.070 0.047 0.000 2.929 375 H HA 0.221 4.779 4.556 0.004 0.000 0.317 375 H C -1.741 173.600 175.328 0.022 0.000 1.031 375 H CA -1.502 54.563 56.048 0.028 0.000 1.466 375 H CB 1.018 30.786 29.762 0.009 0.000 1.482 375 H HN 0.001 nan 8.280 nan 0.000 0.561 376 P HA -0.224 nan 4.420 nan 0.000 0.217 376 P C 1.148 178.457 177.300 0.015 0.000 1.148 376 P CA 1.352 64.342 63.100 -0.184 0.000 0.834 376 P CB 0.244 31.795 31.700 -0.248 0.000 0.783 377 Q N -0.741 119.210 119.800 0.252 0.000 2.212 377 Q HA -0.064 4.278 4.340 0.004 0.000 0.199 377 Q C 1.871 178.015 176.000 0.239 0.000 0.950 377 Q CA 0.809 56.823 55.803 0.351 0.000 0.863 377 Q CB -0.707 28.387 28.738 0.592 0.000 0.944 377 Q HN 0.190 nan 8.270 nan 0.000 0.465 378 V N -1.889 118.195 119.914 0.283 0.000 2.591 378 V HA -0.044 4.078 4.120 0.004 0.000 0.249 378 V C 1.882 178.068 176.094 0.152 0.000 1.053 378 V CA 1.243 63.619 62.300 0.127 0.000 1.068 378 V CB -0.363 31.504 31.823 0.073 0.000 0.689 378 V HN 0.199 nan 8.190 nan 0.000 0.462 379 R N 0.669 121.246 120.500 0.128 0.000 2.090 379 R HA -0.048 4.294 4.340 0.004 0.000 0.228 379 R C 2.452 178.760 176.300 0.012 0.000 1.110 379 R CA 1.581 57.708 56.100 0.046 0.000 0.973 379 R CB -0.379 29.929 30.300 0.013 0.000 0.869 379 R HN 0.546 nan 8.270 nan 0.000 0.440 380 K N 0.157 120.581 120.400 0.039 0.000 2.147 380 K HA -0.205 4.117 4.320 0.004 0.000 0.205 380 K C 1.932 178.536 176.600 0.006 0.000 1.049 380 K CA 1.273 57.568 56.287 0.013 0.000 0.936 380 K CB -0.153 32.373 32.500 0.045 0.000 0.722 380 K HN 0.096 nan 8.250 nan 0.000 0.446 381 Y N 0.373 120.632 120.300 -0.068 0.000 2.263 381 Y HA -0.045 4.508 4.550 0.004 0.000 0.292 381 Y C 1.881 177.704 175.900 -0.128 0.000 1.130 381 Y CA 1.190 59.235 58.100 -0.092 0.000 1.179 381 Y CB -0.337 38.069 38.460 -0.091 0.000 0.998 381 Y HN 0.116 nan 8.280 nan 0.000 0.532 382 A N -0.599 122.155 122.820 -0.110 0.000 1.933 382 A HA -0.125 4.197 4.320 0.004 0.000 0.218 382 A C 2.232 179.627 177.584 -0.316 0.000 1.175 382 A CA 1.993 53.902 52.037 -0.213 0.000 0.628 382 A CB -1.226 17.700 19.000 -0.123 0.000 0.814 382 A HN 0.311 nan 8.150 nan 0.000 0.444 383 V N 0.948 120.683 119.914 -0.299 0.000 2.427 383 V HA -0.203 3.919 4.120 0.004 0.000 0.248 383 V C 2.910 178.664 176.094 -0.567 0.000 1.051 383 V CA 2.152 64.176 62.300 -0.460 0.000 1.048 383 V CB -0.969 30.646 31.823 -0.347 0.000 0.666 383 V HN 0.795 nan 8.190 nan 0.000 0.456 384 S N 0.380 115.832 115.700 -0.414 0.000 2.402 384 S HA -0.165 4.307 4.470 0.004 0.000 0.229 384 S C 2.095 176.459 174.600 -0.393 0.000 1.021 384 S CA 0.711 58.694 58.200 -0.361 0.000 0.974 384 S CB -0.320 62.715 63.200 -0.276 0.000 0.800 384 S HN 0.418 nan 8.310 nan 0.000 0.484 385 R N 1.312 121.526 120.500 -0.478 0.000 2.090 385 R HA 0.278 4.620 4.340 0.004 0.000 0.228 385 R C 2.312 178.442 176.300 -0.283 0.000 1.110 385 R CA 0.792 56.651 56.100 -0.401 0.000 0.973 385 R CB -1.350 28.672 30.300 -0.463 0.000 0.869 385 R HN 0.459 nan 8.270 nan 0.000 0.440 386 L N 0.149 121.171 121.223 -0.336 0.000 2.093 386 L HA -0.064 4.278 4.340 0.004 0.000 0.208 386 L C 2.420 179.190 176.870 -0.166 0.000 1.085 386 L CA 1.213 55.912 54.840 -0.234 0.000 0.755 386 L CB -0.617 41.243 42.059 -0.333 0.000 0.904 386 L HN 0.130 nan 8.230 nan 0.000 0.435 387 A N -0.647 121.964 122.820 -0.348 0.000 1.972 387 A HA -0.264 4.059 4.320 0.004 0.000 0.219 387 A C 2.260 179.836 177.584 -0.013 0.000 1.169 387 A CA 1.615 53.576 52.037 -0.126 0.000 0.635 387 A CB -0.458 18.422 19.000 -0.201 0.000 0.810 387 A HN 0.475 nan 8.150 nan 0.000 0.446 388 Q N -0.283 119.472 119.800 -0.075 0.000 2.172 388 Q HA 0.103 4.445 4.340 0.004 0.000 0.200 388 Q C 1.098 177.094 176.000 -0.007 0.000 0.964 388 Q CA 0.527 56.306 55.803 -0.041 0.000 0.855 388 Q CB -0.308 28.389 28.738 -0.068 0.000 0.918 388 Q HN 0.607 nan 8.270 nan 0.000 0.444 389 A N 3.186 126.005 122.820 -0.001 0.000 2.561 389 A HA 0.126 4.448 4.320 0.004 0.000 0.234 389 A C -2.114 175.499 177.584 0.049 0.000 1.055 389 A CA -0.824 51.234 52.037 0.034 0.000 0.756 389 A CB -0.274 18.767 19.000 0.069 0.000 0.986 389 A HN 0.287 nan 8.150 nan 0.000 0.505 390 P HA 0.182 nan 4.420 nan 0.000 0.274 390 P C -0.436 176.875 177.300 0.018 0.000 1.237 390 P CA -0.273 62.840 63.100 0.022 0.000 0.793 390 P CB 0.646 32.351 31.700 0.008 0.000 0.977 391 D N 0.512 120.916 120.400 0.008 0.000 2.149 391 D HA -0.220 4.422 4.640 0.004 0.000 0.198 391 D C 1.771 178.049 176.300 -0.037 0.000 0.990 391 D CA 1.704 55.700 54.000 -0.006 0.000 0.839 391 D CB -0.325 40.471 40.800 -0.007 0.000 0.948 391 D HN 0.646 nan 8.370 nan 0.000 0.460 392 E N 0.612 120.782 120.200 -0.050 0.000 2.072 392 E HA -0.171 4.181 4.350 0.004 0.000 0.190 392 E C 1.076 177.577 176.600 -0.165 0.000 0.982 392 E CA 1.043 57.388 56.400 -0.091 0.000 0.803 392 E CB -0.186 29.469 29.700 -0.075 0.000 0.755 392 E HN 0.064 nan 8.360 nan 0.000 0.453 393 D N 0.636 120.947 120.400 -0.148 0.000 2.183 393 D HA -0.075 4.567 4.640 0.004 0.000 0.203 393 D C 1.827 177.938 176.300 -0.315 0.000 0.969 393 D CA 0.379 54.220 54.000 -0.266 0.000 0.842 393 D CB -0.086 40.679 40.800 -0.057 0.000 0.957 393 D HN 0.128 nan 8.370 nan 0.000 0.484 394 L N 0.711 121.893 121.223 -0.069 0.000 2.093 394 L HA -0.012 4.330 4.340 0.004 0.000 0.208 394 L C 1.897 178.734 176.870 -0.055 0.000 1.085 394 L CA 1.323 56.191 54.840 0.047 0.000 0.755 394 L CB -0.716 41.384 42.059 0.068 0.000 0.904 394 L HN 0.101 nan 8.230 nan 0.000 0.435 395 L N -1.726 119.412 121.223 -0.140 0.000 2.131 395 L HA -0.134 4.209 4.340 0.004 0.000 0.206 395 L C 2.416 179.139 176.870 -0.244 0.000 1.087 395 L CA 1.018 55.764 54.840 -0.157 0.000 0.767 395 L CB -0.094 41.875 42.059 -0.150 0.000 0.917 395 L HN 0.322 nan 8.230 nan 0.000 0.441 396 L N -0.859 120.141 121.223 -0.373 0.000 2.083 396 L HA -0.254 4.088 4.340 0.004 0.000 0.209 396 L C 2.108 178.780 176.870 -0.331 0.000 1.083 396 L CA 1.416 56.002 54.840 -0.424 0.000 0.752 396 L CB -0.242 41.449 42.059 -0.613 0.000 0.899 396 L HN 0.303 nan 8.230 nan 0.000 0.433 397 Y N -1.622 118.620 120.300 -0.097 0.000 2.544 397 Y HA -0.086 4.467 4.550 0.004 0.000 0.286 397 Y C 1.903 177.728 175.900 -0.126 0.000 1.141 397 Y CA 0.028 58.073 58.100 -0.092 0.000 1.299 397 Y CB -0.541 37.883 38.460 -0.060 0.000 1.030 397 Y HN 0.141 nan 8.280 nan 0.000 0.543 398 L N 0.474 121.667 121.223 -0.050 0.000 2.081 398 L HA -0.216 4.126 4.340 0.004 0.000 0.212 398 L C 2.135 178.850 176.870 -0.258 0.000 1.080 398 L CA 1.572 56.349 54.840 -0.105 0.000 0.754 398 L CB -0.978 41.017 42.059 -0.107 0.000 0.893 398 L HN 0.289 nan 8.230 nan 0.000 0.433 399 L N -0.472 120.509 121.223 -0.404 0.000 2.079 399 L HA -0.214 4.128 4.340 0.004 0.000 0.210 399 L C 2.271 178.984 176.870 -0.262 0.000 1.081 399 L CA 1.823 56.320 54.840 -0.572 0.000 0.752 399 L CB -0.978 40.843 42.059 -0.396 0.000 0.896 399 L HN 0.408 nan 8.230 nan 0.000 0.433 400 Q N -0.768 118.957 119.800 -0.125 0.000 2.245 400 Q HA 0.047 4.389 4.340 0.004 0.000 0.201 400 Q C 2.160 178.147 176.000 -0.021 0.000 0.955 400 Q CA 1.187 56.958 55.803 -0.054 0.000 0.870 400 Q CB -0.220 28.509 28.738 -0.015 0.000 0.945 400 Q HN 0.526 nan 8.270 nan 0.000 0.461 401 L N -0.749 120.465 121.223 -0.015 0.000 2.056 401 L HA -0.118 4.224 4.340 0.004 0.000 0.207 401 L C 2.007 178.909 176.870 0.053 0.000 1.078 401 L CA 0.784 55.645 54.840 0.036 0.000 0.749 401 L CB -0.672 41.424 42.059 0.062 0.000 0.901 401 L HN 0.099 nan 8.230 nan 0.000 0.433 402 V N -0.442 119.487 119.914 0.026 0.000 2.332 402 V HA -0.273 3.849 4.120 0.004 0.000 0.248 402 V C 2.636 178.814 176.094 0.140 0.000 1.055 402 V CA 1.517 63.871 62.300 0.089 0.000 1.038 402 V CB -0.569 31.229 31.823 -0.042 0.000 0.651 402 V HN 0.468 nan 8.190 nan 0.000 0.450 403 Q N -0.068 119.755 119.800 0.038 0.000 2.119 403 Q HA -0.076 4.266 4.340 0.004 0.000 0.201 403 Q C 2.432 178.365 176.000 -0.111 0.000 0.972 403 Q CA 1.882 57.691 55.803 0.008 0.000 0.847 403 Q CB -0.707 28.024 28.738 -0.010 0.000 0.903 403 Q HN 0.659 nan 8.270 nan 0.000 0.433 404 A N 0.718 123.526 122.820 -0.020 0.000 2.015 404 A HA -0.085 4.238 4.320 0.004 0.000 0.219 404 A C 2.112 179.656 177.584 -0.068 0.000 1.163 404 A CA 0.578 52.644 52.037 0.049 0.000 0.646 404 A CB -0.621 18.451 19.000 0.120 0.000 0.806 404 A HN 0.331 nan 8.150 nan 0.000 0.448 405 L N -0.579 120.612 121.223 -0.053 0.000 2.189 405 L HA -0.226 4.116 4.340 0.004 0.000 0.214 405 L C 2.282 179.025 176.870 -0.213 0.000 1.097 405 L CA 1.707 56.514 54.840 -0.057 0.000 0.764 405 L CB -0.331 41.749 42.059 0.035 0.000 0.900 405 L HN 0.462 nan 8.230 nan 0.000 0.436 406 K N -1.155 118.999 120.400 -0.408 0.000 2.211 406 K HA -0.187 4.135 4.320 0.004 0.000 0.203 406 K C 1.836 178.227 176.600 -0.348 0.000 1.050 406 K CA 1.242 57.230 56.287 -0.499 0.000 0.945 406 K CB -0.088 32.036 32.500 -0.627 0.000 0.732 406 K HN 0.284 nan 8.250 nan 0.000 0.451 407 Y N 1.439 121.715 120.300 -0.040 0.000 2.314 407 Y HA 0.048 4.601 4.550 0.005 0.000 0.294 407 Y C 0.751 176.632 175.900 -0.032 0.000 1.119 407 Y CA 0.078 58.164 58.100 -0.024 0.000 1.179 407 Y CB -0.320 38.131 38.460 -0.015 0.000 1.025 407 Y HN -0.039 nan 8.280 nan 0.000 0.541 408 E N 2.225 122.471 120.200 0.077 0.000 2.452 408 E HA -0.043 4.309 4.350 0.004 0.000 0.261 408 E C -0.694 175.916 176.600 0.017 0.000 0.987 408 E CA -0.136 56.257 56.400 -0.012 0.000 0.926 408 E CB 0.328 30.004 29.700 -0.040 0.000 0.934 408 E HN 0.218 nan 8.360 nan 0.000 0.452 409 D N 4.617 125.044 120.400 0.045 0.000 2.443 409 D HA -0.027 4.615 4.640 0.004 0.000 0.239 409 D C -1.386 175.084 176.300 0.283 0.000 1.136 409 D CA -1.393 52.753 54.000 0.242 0.000 0.879 409 D CB 0.284 41.351 40.800 0.445 0.000 1.195 409 D HN 0.223 nan 8.370 nan 0.000 0.443 410 P HA -0.087 nan 4.420 nan 0.000 0.220 410 P C 1.332 178.659 177.300 0.046 0.000 1.152 410 P CA 0.746 63.878 63.100 0.054 0.000 0.812 410 P CB 0.439 32.141 31.700 0.003 0.000 0.792 411 R N 0.120 120.625 120.500 0.008 0.000 2.096 411 R HA -0.158 4.184 4.340 0.004 0.000 0.235 411 R C 2.267 178.514 176.300 -0.089 0.000 1.127 411 R CA 1.664 57.717 56.100 -0.078 0.000 0.968 411 R CB -1.691 28.513 30.300 -0.160 0.000 0.861 411 R HN 0.299 nan 8.270 nan 0.000 0.440 412 H N -0.901 118.182 119.070 0.021 0.000 2.390 412 H HA -0.097 4.461 4.556 0.003 0.000 0.298 412 H C 1.820 177.180 175.328 0.054 0.000 1.106 412 H CA 1.964 58.029 56.048 0.029 0.000 1.297 412 H CB -0.175 29.594 29.762 0.012 0.000 1.375 412 H HN 0.211 nan 8.280 nan 0.000 0.509 413 I N -0.454 120.206 120.570 0.151 0.000 2.480 413 I HA -0.140 4.033 4.170 0.004 0.000 0.251 413 I C 1.815 177.969 176.117 0.063 0.000 1.124 413 I CA 0.391 61.747 61.300 0.093 0.000 1.444 413 I CB 0.109 38.139 38.000 0.050 0.000 1.098 413 I HN 0.081 nan 8.210 nan 0.000 0.428 414 V N 0.097 120.025 119.914 0.024 0.000 2.515 414 V HA -0.275 3.847 4.120 0.004 0.000 0.250 414 V C 2.431 178.514 176.094 -0.019 0.000 1.058 414 V CA 1.721 63.984 62.300 -0.061 0.000 1.064 414 V CB -0.988 30.772 31.823 -0.104 0.000 0.675 414 V HN 0.501 nan 8.190 nan 0.000 0.461 415 H N -0.351 118.705 119.070 -0.023 0.000 2.428 415 H HA 0.032 4.591 4.556 0.004 0.000 0.296 415 H C 2.261 177.613 175.328 0.041 0.000 1.062 415 H CA 1.408 57.455 56.048 -0.001 0.000 1.350 415 H CB 0.290 30.042 29.762 -0.017 0.000 1.403 415 H HN 0.338 nan 8.280 nan 0.000 0.533 416 L N 0.610 121.922 121.223 0.148 0.000 2.109 416 L HA -0.160 4.183 4.340 0.004 0.000 0.207 416 L C 2.749 179.660 176.870 0.068 0.000 1.086 416 L CA 1.271 56.178 54.840 0.113 0.000 0.760 416 L CB -0.484 41.638 42.059 0.105 0.000 0.910 416 L HN 0.354 nan 8.230 nan 0.000 0.437 417 H N -0.207 118.800 119.070 -0.105 0.000 2.389 417 H HA -0.096 4.462 4.556 0.005 0.000 0.299 417 H C 1.793 177.012 175.328 -0.183 0.000 1.081 417 H CA 1.666 57.556 56.048 -0.263 0.000 1.345 417 H CB -0.271 29.286 29.762 -0.342 0.000 1.393 417 H HN 0.333 nan 8.280 nan 0.000 0.520 418 G N 0.126 109.061 108.800 0.225 0.000 2.408 418 G HA2 -0.258 3.704 3.960 0.004 0.000 0.217 418 G HA3 -0.258 3.704 3.960 0.004 0.000 0.217 418 G C 2.235 177.165 174.900 0.051 0.000 1.150 418 G CA 0.883 46.059 45.100 0.126 0.000 0.776 418 G HN 0.625 nan 8.290 nan 0.000 0.542 419 C N -0.182 119.124 119.300 0.010 0.000 2.440 419 C HA 0.227 4.689 4.460 0.004 0.000 0.278 419 C C 2.683 177.711 174.990 0.064 0.000 1.295 419 C CA 0.684 59.718 59.018 0.027 0.000 1.738 419 C CB -0.853 26.919 27.740 0.054 0.000 1.987 419 C HN 0.395 nan 8.230 nan 0.000 0.492 420 I N -1.005 119.617 120.570 0.088 0.000 2.731 420 I HA 0.110 4.283 4.170 0.004 0.000 0.260 420 I C 2.187 178.439 176.117 0.226 0.000 1.138 420 I CA 0.782 62.162 61.300 0.132 0.000 1.461 420 I CB -0.346 37.736 38.000 0.138 0.000 1.128 420 I HN 0.181 nan 8.210 nan 0.000 0.438 421 F N 1.431 121.309 119.950 -0.118 0.000 2.094 421 F HA 0.079 4.610 4.527 0.006 0.000 0.291 421 F C -0.525 175.247 175.800 -0.046 0.000 1.109 421 F CA 0.334 58.248 58.000 -0.144 0.000 1.221 421 F CB -2.069 36.728 39.000 -0.339 0.000 1.014 421 F HN 0.086 nan 8.300 nan 0.000 0.473 533 L N 2.711 123.962 121.223 0.048 0.000 2.043 533 L HA -0.131 4.212 4.340 0.004 0.000 0.212 533 L C 2.439 179.415 176.870 0.176 0.000 1.075 533 L CA 2.453 57.369 54.840 0.126 0.000 0.752 533 L CB -0.291 41.815 42.059 0.078 0.000 0.891 533 L HN 0.753 nan 8.230 nan 0.000 0.432 534 C N -0.022 119.345 119.300 0.110 0.000 2.457 534 C HA -0.108 4.354 4.460 0.004 0.000 0.278 534 C C 2.839 177.876 174.990 0.079 0.000 1.309 534 C CA 1.338 60.415 59.018 0.098 0.000 1.735 534 C CB -1.213 26.581 27.740 0.090 0.000 1.992 534 C HN 0.756 nan 8.230 nan 0.000 0.493 535 T N -0.279 114.332 114.554 0.095 0.000 2.867 535 T HA -0.155 4.197 4.350 0.004 0.000 0.268 535 T C 1.522 176.260 174.700 0.062 0.000 1.057 535 T CA 1.698 63.846 62.100 0.081 0.000 1.136 535 T CB -0.736 68.190 68.868 0.096 0.000 0.874 535 T HN 0.706 nan 8.240 nan 0.000 0.466 536 F N 1.658 121.580 119.950 -0.046 0.000 2.163 536 F HA 0.154 4.684 4.527 0.005 0.000 0.297 536 F C 1.921 177.638 175.800 -0.139 0.000 1.094 536 F CA 0.776 58.733 58.000 -0.072 0.000 1.290 536 F CB -0.280 38.681 39.000 -0.064 0.000 1.017 536 F HN -0.008 nan 8.300 nan 0.000 0.483 537 L N 0.263 121.223 121.223 -0.438 0.000 2.093 537 L HA -0.197 4.145 4.340 0.004 0.000 0.208 537 L C 2.362 178.692 176.870 -0.900 0.000 1.085 537 L CA 1.284 55.667 54.840 -0.762 0.000 0.755 537 L CB -0.501 41.266 42.059 -0.487 0.000 0.904 537 L HN 0.251 nan 8.230 nan 0.000 0.435 538 I N -0.916 119.326 120.570 -0.547 0.000 2.406 538 I HA -0.259 3.913 4.170 0.004 0.000 0.249 538 I C 2.545 178.526 176.117 -0.227 0.000 1.122 538 I CA 0.787 61.852 61.300 -0.391 0.000 1.431 538 I CB -0.087 37.907 38.000 -0.011 0.000 1.087 538 I HN 0.270 nan 8.210 nan 0.000 0.424 539 Q N 0.789 120.466 119.800 -0.206 0.000 2.124 539 Q HA -0.150 4.192 4.340 0.004 0.000 0.202 539 Q C 2.325 178.229 176.000 -0.160 0.000 0.977 539 Q CA 1.456 57.196 55.803 -0.105 0.000 0.850 539 Q CB 0.110 28.817 28.738 -0.051 0.000 0.901 539 Q HN 0.198 nan 8.270 nan 0.000 0.429 540 R N -0.777 119.511 120.500 -0.353 0.000 2.127 540 R HA 0.129 4.471 4.340 0.004 0.000 0.217 540 R C 1.998 178.147 176.300 -0.253 0.000 1.074 540 R CA 0.944 56.843 56.100 -0.336 0.000 0.991 540 R CB -0.443 29.508 30.300 -0.581 0.000 0.895 540 R HN 0.335 nan 8.270 nan 0.000 0.450 541 A N 0.129 122.733 122.820 -0.360 0.000 1.969 541 A HA -0.143 4.179 4.320 0.004 0.000 0.218 541 A C 2.344 179.976 177.584 0.079 0.000 1.169 541 A CA 1.315 53.192 52.037 -0.266 0.000 0.635 541 A CB -0.548 18.003 19.000 -0.748 0.000 0.810 541 A HN 0.368 nan 8.150 nan 0.000 0.445 542 C N -0.891 118.471 119.300 0.103 0.000 2.485 542 C HA 0.015 4.477 4.460 0.004 0.000 0.277 542 C C 2.803 177.845 174.990 0.087 0.000 1.376 542 C CA 1.220 60.342 59.018 0.173 0.000 1.759 542 C CB -1.164 26.667 27.740 0.152 0.000 1.970 542 C HN 0.708 nan 8.230 nan 0.000 0.509 543 T N 0.127 114.701 114.554 0.033 0.000 2.985 543 T HA -0.048 4.304 4.350 0.004 0.000 0.266 543 T C 0.578 175.300 174.700 0.038 0.000 1.076 543 T CA 0.844 62.960 62.100 0.027 0.000 1.135 543 T CB -0.182 68.685 68.868 -0.000 0.000 0.890 543 T HN 0.549 nan 8.240 nan 0.000 0.480 544 N N 0.175 118.901 118.700 0.042 0.000 2.295 544 N HA 0.498 5.241 4.740 0.004 0.000 0.293 544 N C 0.631 176.192 175.510 0.085 0.000 1.040 544 N CA -0.081 53.001 53.050 0.053 0.000 0.840 544 N CB 2.058 40.566 38.487 0.034 0.000 1.468 544 N HN 0.002 nan 8.380 nan 0.000 0.478 545 A N 2.491 125.362 122.820 0.085 0.000 1.898 545 A HA -0.120 4.202 4.320 0.004 0.000 0.216 545 A C 1.986 179.634 177.584 0.106 0.000 1.181 545 A CA 2.361 54.456 52.037 0.097 0.000 0.620 545 A CB -1.029 18.017 19.000 0.078 0.000 0.819 545 A HN 0.836 nan 8.150 nan 0.000 0.442 546 T N -1.058 113.556 114.554 0.100 0.000 2.788 546 T HA -0.078 4.275 4.350 0.004 0.000 0.268 546 T C 1.830 176.689 174.700 0.265 0.000 1.044 546 T CA 1.552 63.739 62.100 0.145 0.000 1.139 546 T CB -0.438 68.516 68.868 0.143 0.000 0.867 546 T HN 0.306 nan 8.240 nan 0.000 0.454 547 L N 0.468 121.814 121.223 0.205 0.000 2.141 547 L HA 0.094 4.436 4.340 0.004 0.000 0.209 547 L C 3.209 180.230 176.870 0.253 0.000 1.094 547 L CA 1.093 56.056 54.840 0.205 0.000 0.763 547 L CB -0.619 41.475 42.059 0.060 0.000 0.908 547 L HN 0.437 nan 8.230 nan 0.000 0.437 548 A N 0.516 123.486 122.820 0.251 0.000 1.898 548 A HA -0.265 4.057 4.320 0.004 0.000 0.216 548 A C 1.988 179.822 177.584 0.416 0.000 1.181 548 A CA 1.978 54.259 52.037 0.405 0.000 0.620 548 A CB -0.859 18.375 19.000 0.390 0.000 0.819 548 A HN 0.598 nan 8.150 nan 0.000 0.442 549 N N -2.228 116.615 118.700 0.239 0.000 2.120 549 N HA -0.218 4.524 4.740 0.004 0.000 0.188 549 N C 1.606 177.211 175.510 0.158 0.000 1.024 549 N CA 1.689 54.803 53.050 0.107 0.000 0.852 549 N CB -0.364 38.089 38.487 -0.058 0.000 1.003 549 N HN 0.461 nan 8.380 nan 0.000 0.424 550 Y N -0.717 119.762 120.300 0.299 0.000 2.243 550 Y HA 0.006 4.560 4.550 0.006 0.000 0.293 550 Y C 1.907 178.112 175.900 0.509 0.000 1.124 550 Y CA 0.934 59.241 58.100 0.344 0.000 1.159 550 Y CB -0.601 38.092 38.460 0.389 0.000 1.008 550 Y HN 0.120 nan 8.280 nan 0.000 0.527 551 F N -0.582 119.606 119.950 0.398 0.000 2.161 551 F HA -0.299 4.230 4.527 0.003 0.000 0.300 551 F C 2.359 178.258 175.800 0.165 0.000 1.089 551 F CA 1.466 59.585 58.000 0.197 0.000 1.282 551 F CB -0.972 37.943 39.000 -0.142 0.000 1.010 551 F HN 0.201 nan 8.300 nan 0.000 0.485 552 Y N -1.294 119.042 120.300 0.060 0.000 2.200 552 Y HA -0.222 4.329 4.550 0.002 0.000 0.290 552 Y C 2.043 177.739 175.900 -0.340 0.000 1.137 552 Y CA 1.788 59.794 58.100 -0.157 0.000 1.163 552 Y CB -0.710 37.637 38.460 -0.188 0.000 0.988 552 Y HN 0.086 nan 8.280 nan 0.000 0.518 553 W N -1.008 120.453 121.300 0.269 0.000 2.436 553 W HA -0.151 4.511 4.660 0.003 0.000 0.284 553 W C 1.843 178.270 176.519 -0.153 0.000 1.225 553 W CA 0.990 58.377 57.345 0.070 0.000 1.271 553 W CB -0.469 28.892 29.460 -0.166 0.000 1.114 553 W HN 0.098 nan 8.180 nan 0.000 0.559 554 Y N -0.162 120.221 120.300 0.139 0.000 2.242 554 Y HA -0.157 4.396 4.550 0.004 0.000 0.291 554 Y C 2.239 177.993 175.900 -0.244 0.000 1.137 554 Y CA 1.222 59.306 58.100 -0.027 0.000 1.181 554 Y CB -0.986 37.457 38.460 -0.029 0.000 0.989 554 Y HN -0.114 nan 8.280 nan 0.000 0.527 555 L N -1.785 119.294 121.223 -0.241 0.000 2.109 555 L HA -0.167 4.176 4.340 0.004 0.000 0.207 555 L C 2.603 179.239 176.870 -0.390 0.000 1.086 555 L CA 1.193 55.769 54.840 -0.440 0.000 0.760 555 L CB -0.511 41.182 42.059 -0.609 0.000 0.910 555 L HN 0.100 nan 8.230 nan 0.000 0.437 556 S N 0.129 115.599 115.700 -0.384 0.000 2.383 556 S HA -0.092 4.380 4.470 0.004 0.000 0.227 556 S C 1.892 176.413 174.600 -0.132 0.000 1.026 556 S CA 0.994 59.001 58.200 -0.322 0.000 0.981 556 S CB -0.180 62.817 63.200 -0.338 0.000 0.818 556 S HN 0.307 nan 8.310 nan 0.000 0.472 557 I N 0.962 121.490 120.570 -0.070 0.000 2.394 557 I HA -0.048 4.125 4.170 0.004 0.000 0.251 557 I C 2.394 178.426 176.117 -0.142 0.000 1.136 557 I CA 0.871 62.141 61.300 -0.050 0.000 1.425 557 I CB -0.253 37.732 38.000 -0.024 0.000 1.079 557 I HN 0.164 nan 8.210 nan 0.000 0.425 558 E N 0.547 120.592 120.200 -0.259 0.000 2.216 558 E HA -0.044 4.308 4.350 0.004 0.000 0.192 558 E C 2.443 178.866 176.600 -0.296 0.000 0.988 558 E CA 0.764 56.941 56.400 -0.372 0.000 0.834 558 E CB -0.000 29.176 29.700 -0.874 0.000 0.772 558 E HN 0.312 nan 8.360 nan 0.000 0.479 559 V N 1.866 121.606 119.914 -0.290 0.000 2.346 559 V HA -0.141 3.981 4.120 0.004 0.000 0.244 559 V C 1.240 177.070 176.094 -0.440 0.000 1.037 559 V CA 0.893 62.981 62.300 -0.352 0.000 1.029 559 V CB -0.506 31.180 31.823 -0.228 0.000 0.663 559 V HN 0.341 nan 8.190 nan 0.000 0.454 560 E N 2.045 122.122 120.200 -0.206 0.000 2.608 560 E HA -0.088 4.264 4.350 0.004 0.000 0.259 560 E C -0.005 176.554 176.600 -0.069 0.000 0.951 560 E CA -0.279 56.068 56.400 -0.089 0.000 0.945 560 E CB 0.367 30.059 29.700 -0.012 0.000 0.916 560 E HN 0.594 nan 8.360 nan 0.000 0.477 569 D N 1.668 122.096 120.400 0.047 0.000 2.158 569 D HA -0.183 4.459 4.640 0.004 0.000 0.197 569 D C 1.070 177.421 176.300 0.085 0.000 0.995 569 D CA 1.663 55.705 54.000 0.070 0.000 0.846 569 D CB 0.141 40.986 40.800 0.076 0.000 0.941 569 D HN 0.591 nan 8.370 nan 0.000 0.456 570 E N 0.280 120.510 120.200 0.051 0.000 2.130 570 E HA -0.180 4.172 4.350 0.004 0.000 0.196 570 E C 2.094 178.701 176.600 0.012 0.000 0.998 570 E CA 0.758 57.168 56.400 0.017 0.000 0.806 570 E CB 0.089 29.781 29.700 -0.013 0.000 0.738 570 E HN 0.134 nan 8.360 nan 0.000 0.459 571 R N -0.003 120.508 120.500 0.017 0.000 2.127 571 R HA 0.114 4.456 4.340 0.004 0.000 0.217 571 R C 2.043 178.344 176.300 0.002 0.000 1.074 571 R CA 0.973 57.074 56.100 0.001 0.000 0.991 571 R CB -0.504 29.793 30.300 -0.005 0.000 0.895 571 R HN 0.148 nan 8.270 nan 0.000 0.450 572 A N 0.128 122.960 122.820 0.019 0.000 1.970 572 A HA -0.147 4.175 4.320 0.004 0.000 0.216 572 A C 2.022 179.658 177.584 0.087 0.000 1.170 572 A CA 1.395 53.417 52.037 -0.025 0.000 0.645 572 A CB -0.651 18.351 19.000 0.003 0.000 0.816 572 A HN 0.532 nan 8.150 nan 0.000 0.447 573 H N -0.546 118.558 119.070 0.058 0.000 2.357 573 H HA -0.128 4.430 4.556 0.003 0.000 0.301 573 H C 1.508 176.881 175.328 0.074 0.000 1.082 573 H CA 1.616 57.728 56.048 0.106 0.000 1.342 573 H CB -0.044 29.760 29.762 0.070 0.000 1.389 573 H HN 0.425 nan 8.280 nan 0.000 0.511 574 D N 0.071 120.646 120.400 0.293 0.000 2.178 574 D HA -0.143 4.499 4.640 0.004 0.000 0.202 574 D C 2.231 178.598 176.300 0.112 0.000 0.974 574 D CA 0.945 55.052 54.000 0.180 0.000 0.841 574 D CB 0.001 40.816 40.800 0.025 0.000 0.953 574 D HN 0.373 nan 8.370 nan 0.000 0.478 575 M N -0.643 118.975 119.600 0.029 0.000 2.156 575 M HA -0.140 4.342 4.480 0.004 0.000 0.264 575 M C 1.331 177.601 176.300 -0.050 0.000 1.067 575 M CA 1.565 56.821 55.300 -0.072 0.000 1.131 575 M CB -0.586 31.887 32.600 -0.212 0.000 1.368 575 M HN 0.163 nan 8.290 nan 0.000 0.416 576 Y N 0.434 120.735 120.300 0.001 0.000 2.293 576 Y HA -0.103 4.449 4.550 0.003 0.000 0.291 576 Y C 2.589 178.454 175.900 -0.058 0.000 1.137 576 Y CA 1.152 59.219 58.100 -0.055 0.000 1.202 576 Y CB -0.294 38.107 38.460 -0.099 0.000 0.990 576 Y HN 0.443 nan 8.280 nan 0.000 0.537 577 A N -0.262 122.649 122.820 0.151 0.000 1.930 577 A HA -0.227 4.096 4.320 0.004 0.000 0.217 577 A C 2.180 179.818 177.584 0.089 0.000 1.175 577 A CA 1.578 53.675 52.037 0.101 0.000 0.627 577 A CB -0.631 18.483 19.000 0.189 0.000 0.815 577 A HN 0.506 nan 8.150 nan 0.000 0.443 578 M N -0.462 119.189 119.600 0.086 0.000 2.254 578 M HA -0.089 4.394 4.480 0.004 0.000 0.265 578 M C 1.821 178.140 176.300 0.031 0.000 1.066 578 M CA 1.195 56.528 55.300 0.056 0.000 1.123 578 M CB -0.048 32.582 32.600 0.050 0.000 1.388 578 M HN 0.258 nan 8.290 nan 0.000 0.425 579 V N 0.154 120.101 119.914 0.055 0.000 2.427 579 V HA -0.259 3.863 4.120 0.004 0.000 0.248 579 V C 2.156 178.309 176.094 0.099 0.000 1.051 579 V CA 1.453 63.801 62.300 0.080 0.000 1.048 579 V CB -0.781 31.101 31.823 0.098 0.000 0.666 579 V HN 0.528 nan 8.190 nan 0.000 0.456 580 L N -0.530 120.720 121.223 0.045 0.000 2.109 580 L HA -0.099 4.244 4.340 0.004 0.000 0.207 580 L C 2.535 179.469 176.870 0.107 0.000 1.086 580 L CA 1.425 56.275 54.840 0.016 0.000 0.760 580 L CB -0.117 41.869 42.059 -0.122 0.000 0.910 580 L HN 0.225 nan 8.230 nan 0.000 0.437 581 K N -0.545 119.919 120.400 0.106 0.000 2.148 581 K HA -0.085 4.237 4.320 0.004 0.000 0.204 581 K C 1.944 178.678 176.600 0.223 0.000 1.050 581 K CA 1.476 57.869 56.287 0.178 0.000 0.942 581 K CB -0.147 32.494 32.500 0.234 0.000 0.724 581 K HN 0.255 nan 8.250 nan 0.000 0.446 582 M N -1.172 118.513 119.600 0.142 0.000 2.200 582 M HA -0.057 4.425 4.480 0.004 0.000 0.265 582 M C 1.625 178.068 176.300 0.239 0.000 1.066 582 M CA 1.107 56.488 55.300 0.135 0.000 1.127 582 M CB -0.115 32.510 32.600 0.042 0.000 1.379 582 M HN 0.077 nan 8.290 nan 0.000 0.420 583 F N 1.079 121.099 119.950 0.117 0.000 2.186 583 F HA -0.103 4.428 4.527 0.007 0.000 0.299 583 F C 1.692 177.590 175.800 0.164 0.000 1.090 583 F CA 1.390 59.488 58.000 0.164 0.000 1.307 583 F CB -0.285 38.854 39.000 0.232 0.000 1.019 583 F HN -0.012 nan 8.300 nan 0.000 0.489 584 L N -0.328 120.930 121.223 0.058 0.000 2.179 584 L HA -0.107 4.235 4.340 0.004 0.000 0.208 584 L C 2.319 179.202 176.870 0.022 0.000 1.096 584 L CA 0.988 55.857 54.840 0.049 0.000 0.779 584 L CB -0.600 41.568 42.059 0.182 0.000 0.922 584 L HN -0.001 nan 8.230 nan 0.000 0.443 585 K N 0.313 120.743 120.400 0.051 0.000 2.167 585 K HA -0.047 4.275 4.320 0.004 0.000 0.203 585 K C 1.785 178.358 176.600 -0.045 0.000 1.052 585 K CA 0.985 57.272 56.287 -0.001 0.000 0.956 585 K CB -0.219 32.352 32.500 0.119 0.000 0.735 585 K HN 0.024 nan 8.250 nan 0.000 0.451 586 V N 0.868 120.783 119.914 0.001 0.000 2.548 586 V HA -0.150 3.973 4.120 0.004 0.000 0.249 586 V C 2.162 178.208 176.094 -0.079 0.000 1.055 586 V CA 1.311 63.610 62.300 -0.002 0.000 1.065 586 V CB -0.347 31.529 31.823 0.088 0.000 0.681 586 V HN 0.201 nan 8.190 nan 0.000 0.462 587 L N -0.604 120.531 121.223 -0.147 0.000 2.068 587 L HA -0.071 4.271 4.340 0.004 0.000 0.204 587 L C 2.604 179.310 176.870 -0.273 0.000 1.076 587 L CA 1.377 56.116 54.840 -0.169 0.000 0.753 587 L CB -0.496 41.478 42.059 -0.141 0.000 0.910 587 L HN 0.292 nan 8.230 nan 0.000 0.439 588 E N 0.172 120.090 120.200 -0.470 0.000 2.085 588 E HA -0.215 4.137 4.350 0.004 0.000 0.194 588 E C 1.596 177.977 176.600 -0.365 0.000 0.994 588 E CA 1.130 57.130 56.400 -0.667 0.000 0.801 588 E CB -0.051 29.198 29.700 -0.751 0.000 0.743 588 E HN 0.386 nan 8.360 nan 0.000 0.453 589 N N -0.125 118.427 118.700 -0.248 0.000 2.494 589 N HA -0.034 4.708 4.740 0.004 0.000 0.182 589 N C 1.062 176.487 175.510 -0.143 0.000 1.076 589 N CA 0.693 53.642 53.050 -0.168 0.000 0.908 589 N CB 0.036 38.456 38.487 -0.113 0.000 0.967 589 N HN 0.158 nan 8.380 nan 0.000 0.449 590 G N 0.472 109.187 108.800 -0.142 0.000 2.620 590 G HA2 -0.046 3.917 3.960 0.004 0.000 0.200 590 G HA3 -0.046 3.917 3.960 0.004 0.000 0.200 590 G C 1.003 175.836 174.900 -0.111 0.000 1.710 590 G CA 0.824 45.868 45.100 -0.094 0.000 0.919 590 G HN 0.477 nan 8.290 nan 0.000 0.455 591 N N -2.113 116.529 118.700 -0.097 0.000 3.192 591 N HA 0.271 5.013 4.740 0.004 0.000 0.177 591 N C 1.131 176.535 175.510 -0.176 0.000 1.460 591 N CA -0.047 52.904 53.050 -0.165 0.000 1.146 591 N CB 0.027 38.452 38.487 -0.103 0.000 1.095 591 N HN 0.288 nan 8.380 nan 0.000 0.559 592 F N -0.510 119.440 119.950 0.000 0.000 2.619 592 F HA 0.391 4.919 4.527 0.000 0.000 0.281 592 F C 1.317 177.131 175.800 0.023 0.000 1.065 592 F CA -0.349 57.663 58.000 0.020 0.000 1.304 592 F CB 0.484 39.504 39.000 0.033 0.000 1.059 592 F HN 0.017 nan 8.300 nan 0.000 0.648 593 N N 0.454 119.289 118.700 0.226 0.000 2.290 593 N HA -0.027 4.715 4.740 0.004 0.000 0.179 593 N C 1.824 177.393 175.510 0.098 0.000 1.016 593 N CA 0.751 53.891 53.050 0.150 0.000 0.871 593 N CB -0.284 38.276 38.487 0.121 0.000 0.987 593 N HN 0.129 nan 8.380 nan 0.000 0.431 594 L N 0.992 122.252 121.223 0.062 0.000 2.093 594 L HA 0.007 4.349 4.340 0.004 0.000 0.208 594 L C 2.208 179.064 176.870 -0.023 0.000 1.085 594 L CA 1.231 56.080 54.840 0.014 0.000 0.755 594 L CB -0.773 41.277 42.059 -0.015 0.000 0.904 594 L HN 0.201 nan 8.230 nan 0.000 0.435 595 R N -0.492 119.986 120.500 -0.036 0.000 2.115 595 R HA -0.063 4.279 4.340 0.004 0.000 0.226 595 R C 2.247 178.476 176.300 -0.119 0.000 1.100 595 R CA 1.037 57.032 56.100 -0.174 0.000 0.980 595 R CB -0.257 29.969 30.300 -0.123 0.000 0.875 595 R HN 0.407 nan 8.270 nan 0.000 0.445 596 G N 0.902 109.756 108.800 0.089 0.000 2.408 596 G HA2 -0.197 3.765 3.960 0.004 0.000 0.217 596 G HA3 -0.197 3.765 3.960 0.004 0.000 0.217 596 G C 1.429 176.411 174.900 0.136 0.000 1.150 596 G CA 0.317 45.529 45.100 0.186 0.000 0.776 596 G HN 0.163 nan 8.290 nan 0.000 0.542 597 I N -0.391 120.227 120.570 0.081 0.000 2.315 597 I HA -0.065 4.107 4.170 0.004 0.000 0.248 597 I C 2.367 178.489 176.117 0.007 0.000 1.117 597 I CA 0.787 62.120 61.300 0.054 0.000 1.404 597 I CB -0.184 37.850 38.000 0.056 0.000 1.071 597 I HN 0.205 nan 8.210 nan 0.000 0.419 598 F N 0.661 120.505 119.950 -0.176 0.000 2.234 598 F HA -0.214 4.310 4.527 -0.005 0.000 0.299 598 F C 2.202 177.927 175.800 -0.127 0.000 1.087 598 F CA 1.488 59.349 58.000 -0.232 0.000 1.340 598 F CB -0.295 38.486 39.000 -0.366 0.000 1.031 598 F HN -0.018 nan 8.300 nan 0.000 0.500 599 Y N -0.051 120.325 120.300 0.127 0.000 2.286 599 Y HA -0.177 4.376 4.550 0.004 0.000 0.293 599 Y C 2.309 178.174 175.900 -0.060 0.000 1.124 599 Y CA 0.687 58.827 58.100 0.067 0.000 1.178 599 Y CB -0.322 38.210 38.460 0.120 0.000 1.010 599 Y HN 0.037 nan 8.280 nan 0.000 0.536 600 N N 0.260 119.020 118.700 0.099 0.000 2.216 600 N HA -0.108 4.634 4.740 0.004 0.000 0.183 600 N C 1.796 177.261 175.510 -0.076 0.000 1.017 600 N CA 0.925 53.997 53.050 0.037 0.000 0.861 600 N CB -0.267 38.257 38.487 0.062 0.000 0.986 600 N HN 0.343 nan 8.380 nan 0.000 0.428 601 L N 0.775 121.880 121.223 -0.196 0.000 2.046 601 L HA -0.078 4.264 4.340 0.004 0.000 0.208 601 L C 2.647 179.288 176.870 -0.380 0.000 1.077 601 L CA 0.863 55.467 54.840 -0.394 0.000 0.747 601 L CB -0.230 41.505 42.059 -0.540 0.000 0.896 601 L HN 0.096 nan 8.230 nan 0.000 0.432 602 R N 0.697 120.992 120.500 -0.342 0.000 2.096 602 R HA -0.160 4.183 4.340 0.004 0.000 0.235 602 R C 2.159 178.412 176.300 -0.078 0.000 1.127 602 R CA 1.441 57.397 56.100 -0.240 0.000 0.968 602 R CB -0.055 30.137 30.300 -0.179 0.000 0.861 602 R HN 0.385 nan 8.270 nan 0.000 0.440 603 K N -0.074 120.306 120.400 -0.032 0.000 2.103 603 K HA -0.116 4.206 4.320 0.004 0.000 0.204 603 K C 2.265 178.906 176.600 0.069 0.000 1.052 603 K CA 1.218 57.527 56.287 0.038 0.000 0.945 603 K CB -0.028 32.502 32.500 0.050 0.000 0.722 603 K HN 0.260 nan 8.250 nan 0.000 0.443 604 Q N 0.246 120.057 119.800 0.018 0.000 2.079 604 Q HA -0.155 4.188 4.340 0.004 0.000 0.200 604 Q C 2.175 178.299 176.000 0.207 0.000 0.974 604 Q CA 1.190 57.036 55.803 0.072 0.000 0.840 604 Q CB -0.016 28.758 28.738 0.061 0.000 0.898 604 Q HN 0.082 nan 8.270 nan 0.000 0.430 605 R N 1.209 121.779 120.500 0.116 0.000 2.075 605 R HA -0.074 4.268 4.340 0.004 0.000 0.232 605 R C 1.819 178.231 176.300 0.186 0.000 1.126 605 R CA 1.599 57.804 56.100 0.176 0.000 0.963 605 R CB -0.178 30.122 30.300 -0.001 0.000 0.858 605 R HN 0.073 nan 8.270 nan 0.000 0.435 606 R N -1.105 119.472 120.500 0.127 0.000 2.090 606 R HA -0.044 4.298 4.340 0.004 0.000 0.228 606 R C 2.091 178.458 176.300 0.113 0.000 1.110 606 R CA 1.432 57.590 56.100 0.097 0.000 0.973 606 R CB -0.427 29.910 30.300 0.061 0.000 0.869 606 R HN 0.255 nan 8.270 nan 0.000 0.440 607 F N 1.242 121.199 119.950 0.011 0.000 2.146 607 F HA -0.139 4.389 4.527 0.002 0.000 0.298 607 F C 1.883 177.716 175.800 0.056 0.000 1.096 607 F CA 1.166 59.156 58.000 -0.016 0.000 1.275 607 F CB 0.027 38.999 39.000 -0.047 0.000 1.008 607 F HN -0.132 nan 8.300 nan 0.000 0.480 608 I N 0.591 121.399 120.570 0.397 0.000 2.315 608 I HA -0.248 3.924 4.170 0.004 0.000 0.248 608 I C 1.853 178.049 176.117 0.131 0.000 1.117 608 I CA 1.329 62.834 61.300 0.342 0.000 1.404 608 I CB -1.331 36.908 38.000 0.398 0.000 1.071 608 I HN 0.177 nan 8.210 nan 0.000 0.419 609 D N 0.756 121.220 120.400 0.105 0.000 2.178 609 D HA -0.156 4.487 4.640 0.004 0.000 0.202 609 D C 2.029 178.318 176.300 -0.018 0.000 0.974 609 D CA 0.952 54.980 54.000 0.047 0.000 0.841 609 D CB 0.014 40.854 40.800 0.067 0.000 0.953 609 D HN 0.339 nan 8.370 nan 0.000 0.478 610 E N 0.567 120.722 120.200 -0.075 0.000 2.112 610 E HA -0.035 4.318 4.350 0.004 0.000 0.190 610 E C 2.207 178.705 176.600 -0.170 0.000 0.979 610 E CA -0.116 56.206 56.400 -0.131 0.000 0.814 610 E CB -0.230 29.303 29.700 -0.279 0.000 0.762 610 E HN 0.240 nan 8.360 nan 0.000 0.460 611 L N 1.131 122.242 121.223 -0.187 0.000 2.141 611 L HA -0.104 4.238 4.340 0.004 0.000 0.209 611 L C 2.063 178.754 176.870 -0.299 0.000 1.094 611 L CA 1.086 55.699 54.840 -0.378 0.000 0.763 611 L CB -0.231 41.578 42.059 -0.418 0.000 0.908 611 L HN -0.025 nan 8.230 nan 0.000 0.437 612 V N -0.309 119.527 119.914 -0.130 0.000 2.488 612 V HA -0.211 3.911 4.120 0.004 0.000 0.246 612 V C 2.469 178.521 176.094 -0.071 0.000 1.046 612 V CA 1.278 63.549 62.300 -0.049 0.000 1.053 612 V CB -0.534 31.239 31.823 -0.083 0.000 0.679 612 V HN 0.381 nan 8.190 nan 0.000 0.458 613 K N 0.182 120.543 120.400 -0.064 0.000 2.057 613 K HA -0.167 4.155 4.320 0.004 0.000 0.207 613 K C 2.145 178.742 176.600 -0.005 0.000 1.049 613 K CA 1.512 57.805 56.287 0.010 0.000 0.931 613 K CB -0.406 32.163 32.500 0.115 0.000 0.714 613 K HN 0.341 nan 8.250 nan 0.000 0.440 614 L N 0.817 121.943 121.223 -0.161 0.000 2.056 614 L HA -0.089 4.254 4.340 0.004 0.000 0.207 614 L C 1.920 178.624 176.870 -0.277 0.000 1.078 614 L CA 1.562 56.244 54.840 -0.263 0.000 0.749 614 L CB -0.814 40.830 42.059 -0.691 0.000 0.901 614 L HN -0.115 nan 8.230 nan 0.000 0.433 615 V N 0.312 120.070 119.914 -0.259 0.000 2.490 615 V HA -0.263 3.859 4.120 0.004 0.000 0.250 615 V C 2.753 178.776 176.094 -0.119 0.000 1.061 615 V CA 1.894 64.081 62.300 -0.188 0.000 1.064 615 V CB -0.671 31.041 31.823 -0.185 0.000 0.670 615 V HN 0.495 nan 8.190 nan 0.000 0.461 616 K N -0.593 119.766 120.400 -0.068 0.000 2.217 616 K HA -0.011 4.311 4.320 0.004 0.000 0.202 616 K C 2.027 178.624 176.600 -0.005 0.000 1.051 616 K CA 0.963 57.239 56.287 -0.019 0.000 0.952 616 K CB -0.095 32.406 32.500 0.001 0.000 0.736 616 K HN 0.397 nan 8.250 nan 0.000 0.453 617 L N 0.271 121.488 121.223 -0.010 0.000 2.109 617 L HA -0.122 4.221 4.340 0.004 0.000 0.207 617 L C 2.268 179.140 176.870 0.003 0.000 1.086 617 L CA 0.691 55.535 54.840 0.006 0.000 0.760 617 L CB -0.295 41.780 42.059 0.026 0.000 0.910 617 L HN -0.036 nan 8.230 nan 0.000 0.437 618 V N 0.189 120.096 119.914 -0.011 0.000 2.427 618 V HA -0.230 3.892 4.120 0.004 0.000 0.248 618 V C 2.667 178.794 176.094 0.054 0.000 1.051 618 V CA 1.714 64.035 62.300 0.035 0.000 1.048 618 V CB -0.398 31.486 31.823 0.103 0.000 0.666 618 V HN 0.455 nan 8.190 nan 0.000 0.456 619 A N -0.985 121.859 122.820 0.041 0.000 1.968 619 A HA -0.156 4.166 4.320 0.004 0.000 0.217 619 A C 2.300 179.912 177.584 0.046 0.000 1.169 619 A CA 1.471 53.543 52.037 0.057 0.000 0.638 619 A CB -0.296 18.739 19.000 0.057 0.000 0.812 619 A HN 0.487 nan 8.150 nan 0.000 0.446 620 K N 0.048 120.468 120.400 0.033 0.000 2.007 620 K HA -0.096 4.226 4.320 0.004 0.000 0.206 620 K C 0.770 177.386 176.600 0.027 0.000 1.047 620 K CA 0.730 57.033 56.287 0.027 0.000 0.937 620 K CB -0.174 32.338 32.500 0.020 0.000 0.718 620 K HN 0.514 nan 8.250 nan 0.000 0.438 621 E N 2.240 122.456 120.200 0.026 0.000 2.900 621 E HA -0.096 4.256 4.350 0.004 0.000 0.259 621 E C -2.516 174.100 176.600 0.027 0.000 0.918 621 E CA -0.770 55.645 56.400 0.025 0.000 0.960 621 E CB 0.401 30.118 29.700 0.028 0.000 0.908 621 E HN -0.051 nan 8.360 nan 0.000 0.511 622 P HA 0.418 nan 4.420 nan 0.000 0.275 622 P C -0.410 176.903 177.300 0.020 0.000 1.227 622 P CA 0.008 63.120 63.100 0.020 0.000 0.781 622 P CB 1.545 33.253 31.700 0.015 0.000 0.906 623 G N 1.503 110.315 108.800 0.021 0.000 2.352 623 G HA2 0.243 4.206 3.960 0.004 0.000 0.302 623 G HA3 0.243 4.206 3.960 0.004 0.000 0.302 623 G C -1.264 173.647 174.900 0.018 0.000 1.370 623 G CA -0.898 44.213 45.100 0.017 0.000 0.918 623 G HN 0.704 nan 8.290 nan 0.000 0.610 624 N N -0.606 118.101 118.700 0.012 0.000 2.327 624 N HA 0.302 5.044 4.740 0.004 0.000 0.257 624 N C 1.723 177.240 175.510 0.011 0.000 1.281 624 N CA 0.149 53.205 53.050 0.010 0.000 0.942 624 N CB 0.384 38.872 38.487 0.002 0.000 1.199 624 N HN 0.945 nan 8.380 nan 0.000 0.532 625 R N -0.179 120.324 120.500 0.005 0.000 2.103 625 R HA -0.198 4.144 4.340 0.004 0.000 0.242 625 R C 0.862 177.157 176.300 -0.008 0.000 1.142 625 R CA 1.614 57.714 56.100 0.000 0.000 0.960 625 R CB -0.567 29.725 30.300 -0.013 0.000 0.858 625 R HN 0.569 nan 8.270 nan 0.000 0.439 626 N N 0.639 119.332 118.700 -0.012 0.000 2.188 626 N HA -0.135 4.607 4.740 0.004 0.000 0.184 626 N C 1.554 177.063 175.510 -0.002 0.000 1.018 626 N CA 1.259 54.299 53.050 -0.016 0.000 0.858 626 N CB -0.086 38.389 38.487 -0.019 0.000 0.989 626 N HN 0.220 nan 8.380 nan 0.000 0.426 627 K N 1.612 122.015 120.400 0.006 0.000 2.097 627 K HA 0.017 4.339 4.320 0.004 0.000 0.205 627 K C 1.798 178.415 176.600 0.029 0.000 1.050 627 K CA 1.099 57.395 56.287 0.014 0.000 0.938 627 K CB 0.151 32.660 32.500 0.014 0.000 0.718 627 K HN 0.097 nan 8.250 nan 0.000 0.442 628 K N -0.934 119.487 120.400 0.035 0.000 2.116 628 K HA -0.066 4.256 4.320 0.004 0.000 0.203 628 K C 2.151 178.804 176.600 0.089 0.000 1.052 628 K CA 1.569 57.895 56.287 0.064 0.000 0.952 628 K CB -0.141 32.400 32.500 0.069 0.000 0.729 628 K HN 0.294 nan 8.250 nan 0.000 0.446 629 T N 0.531 115.109 114.554 0.040 0.000 2.904 629 T HA -0.094 4.258 4.350 0.004 0.000 0.267 629 T C 1.619 176.356 174.700 0.063 0.000 1.059 629 T CA 1.077 63.190 62.100 0.021 0.000 1.137 629 T CB 0.005 68.832 68.868 -0.067 0.000 0.879 629 T HN 0.191 nan 8.240 nan 0.000 0.467 630 E N 0.463 120.687 120.200 0.041 0.000 2.153 630 E HA -0.136 4.217 4.350 0.004 0.000 0.194 630 E C 2.200 178.837 176.600 0.061 0.000 0.988 630 E CA 1.253 57.675 56.400 0.037 0.000 0.811 630 E CB -0.101 29.611 29.700 0.020 0.000 0.746 630 E HN 0.463 nan 8.360 nan 0.000 0.466 631 K N 0.784 121.230 120.400 0.076 0.000 2.103 631 K HA -0.116 4.206 4.320 0.004 0.000 0.204 631 K C 1.677 178.330 176.600 0.087 0.000 1.052 631 K CA 0.857 57.184 56.287 0.068 0.000 0.945 631 K CB -0.388 32.148 32.500 0.060 0.000 0.722 631 K HN 0.027 nan 8.250 nan 0.000 0.443 632 F N 1.599 121.533 119.950 -0.027 0.000 2.206 632 F HA -0.017 4.513 4.527 0.006 0.000 0.298 632 F C 1.995 177.762 175.800 -0.054 0.000 1.090 632 F CA 1.454 59.423 58.000 -0.052 0.000 1.323 632 F CB -0.003 38.955 39.000 -0.071 0.000 1.028 632 F HN 0.127 nan 8.300 nan 0.000 0.492 633 Q N -0.426 119.505 119.800 0.218 0.000 2.167 633 Q HA -0.192 4.150 4.340 0.004 0.000 0.202 633 Q C 2.020 178.061 176.000 0.068 0.000 0.970 633 Q CA 1.044 56.922 55.803 0.126 0.000 0.855 633 Q CB -0.105 28.675 28.738 0.069 0.000 0.911 633 Q HN 0.067 nan 8.270 nan 0.000 0.438 634 K N 1.003 121.434 120.400 0.052 0.000 2.116 634 K HA -0.010 4.312 4.320 0.004 0.000 0.203 634 K C 1.811 178.438 176.600 0.045 0.000 1.052 634 K CA 0.806 57.116 56.287 0.039 0.000 0.952 634 K CB -0.178 32.340 32.500 0.029 0.000 0.729 634 K HN 0.158 nan 8.250 nan 0.000 0.446 635 L N 0.395 121.632 121.223 0.023 0.000 2.056 635 L HA -0.101 4.241 4.340 0.004 0.000 0.207 635 L C 2.261 179.223 176.870 0.154 0.000 1.078 635 L CA 0.866 55.757 54.840 0.084 0.000 0.749 635 L CB -0.432 41.640 42.059 0.022 0.000 0.901 635 L HN 0.030 nan 8.230 nan 0.000 0.433 636 L N -0.422 120.808 121.223 0.013 0.000 2.131 636 L HA -0.193 4.149 4.340 0.004 0.000 0.210 636 L C 2.714 179.692 176.870 0.180 0.000 1.092 636 L CA 1.186 56.069 54.840 0.071 0.000 0.759 636 L CB -0.753 41.275 42.059 -0.051 0.000 0.903 636 L HN 0.249 nan 8.230 nan 0.000 0.435 637 A N -0.628 122.262 122.820 0.117 0.000 1.975 637 A HA -0.080 4.243 4.320 0.004 0.000 0.215 637 A C 1.249 178.894 177.584 0.101 0.000 1.170 637 A CA 0.034 52.131 52.037 0.100 0.000 0.656 637 A CB -0.240 18.799 19.000 0.064 0.000 0.821 637 A HN 0.289 nan 8.150 nan 0.000 0.449 638 E N 2.163 122.426 120.200 0.105 0.000 2.406 638 E HA 0.034 4.386 4.350 0.004 0.000 0.247 638 E C -0.069 176.599 176.600 0.114 0.000 1.160 638 E CA 0.094 56.544 56.400 0.084 0.000 0.950 638 E CB -0.111 29.627 29.700 0.063 0.000 0.993 638 E HN 0.515 nan 8.360 nan 0.000 0.472 639 Q N 3.499 123.342 119.800 0.072 0.000 2.421 639 Q HA 0.045 4.387 4.340 0.004 0.000 0.255 639 Q C 0.240 176.247 176.000 0.012 0.000 1.013 639 Q CA 0.259 56.098 55.803 0.059 0.000 0.895 639 Q CB 0.592 29.353 28.738 0.039 0.000 1.271 639 Q HN 0.712 nan 8.270 nan 0.000 0.460 640 D N -0.173 120.225 120.400 -0.003 0.000 3.046 640 D HA -0.219 4.423 4.640 0.004 0.000 0.210 640 D C 0.559 176.775 176.300 -0.140 0.000 1.124 640 D CA 1.349 55.316 54.000 -0.055 0.000 0.986 640 D CB -0.640 40.133 40.800 -0.045 0.000 1.118 640 D HN 0.688 nan 8.370 nan 0.000 0.416 641 M N -1.032 118.425 119.600 -0.237 0.000 2.254 641 M HA 0.021 4.503 4.480 0.004 0.000 0.265 641 M C 0.240 176.113 176.300 -0.712 0.000 1.066 641 M CA 1.118 56.070 55.300 -0.580 0.000 1.123 641 M CB 0.128 32.139 32.600 -0.981 0.000 1.388 641 M HN 0.038 nan 8.290 nan 0.000 0.425 642 F N -1.702 118.161 119.950 -0.146 0.000 2.598 642 F HA 0.312 4.839 4.527 0.000 0.000 0.327 642 F C 1.073 176.740 175.800 -0.221 0.000 1.057 642 F CA -1.059 56.824 58.000 -0.194 0.000 0.957 642 F CB 0.729 39.550 39.000 -0.298 0.000 1.278 642 F HN -0.395 nan 8.300 nan 0.000 0.484 643 K N 0.261 120.665 120.400 0.008 0.000 2.074 643 K HA -0.074 4.248 4.320 0.004 0.000 0.209 643 K C 0.255 176.780 176.600 -0.126 0.000 1.048 643 K CA 0.883 57.135 56.287 -0.059 0.000 0.926 643 K CB -0.063 32.408 32.500 -0.047 0.000 0.713 643 K HN 0.342 nan 8.250 nan 0.000 0.444 644 V N 1.195 120.944 119.914 -0.274 0.000 2.509 644 V HA 0.167 4.290 4.120 0.004 0.000 0.284 644 V C -0.870 174.918 176.094 -0.509 0.000 1.047 644 V CA -0.819 61.233 62.300 -0.414 0.000 0.952 644 V CB 1.247 32.654 31.823 -0.694 0.000 0.988 644 V HN 0.328 nan 8.190 nan 0.000 0.469 645 N N 4.793 123.351 118.700 -0.237 0.000 2.420 645 N HA 0.299 5.041 4.740 0.004 0.000 0.249 645 N C 0.434 175.953 175.510 0.016 0.000 1.033 645 N CA -0.378 52.601 53.050 -0.118 0.000 0.944 645 N CB 0.546 39.048 38.487 0.025 0.000 1.113 645 N HN 0.692 nan 8.380 nan 0.000 0.502 646 F N 0.858 120.883 119.950 0.124 0.000 2.259 646 F HA -0.128 4.405 4.527 0.010 0.000 0.298 646 F C 2.718 178.712 175.800 0.324 0.000 1.088 646 F CA 0.769 58.879 58.000 0.183 0.000 1.358 646 F CB 0.016 39.000 39.000 -0.027 0.000 1.040 646 F HN 0.582 nan 8.300 nan 0.000 0.505 647 T N -2.560 112.208 114.554 0.356 0.000 2.915 647 T HA -0.114 4.239 4.350 0.004 0.000 0.269 647 T C 0.768 175.569 174.700 0.169 0.000 1.071 647 T CA 0.724 62.960 62.100 0.226 0.000 1.132 647 T CB -0.171 68.782 68.868 0.143 0.000 0.878 647 T HN 0.066 nan 8.240 nan 0.000 0.479 648 N N 0.185 119.000 118.700 0.192 0.000 2.242 648 N HA 0.518 5.260 4.740 0.004 0.000 0.292 648 N C -1.743 173.912 175.510 0.242 0.000 1.125 648 N CA -0.782 52.309 53.050 0.068 0.000 0.783 648 N CB 2.257 40.756 38.487 0.020 0.000 1.558 648 N HN 0.299 nan 8.380 nan 0.000 0.472 649 F N -0.724 119.293 119.950 0.111 0.000 2.692 649 F HA 0.539 5.067 4.527 0.002 0.000 0.320 649 F C 0.150 175.981 175.800 0.051 0.000 1.123 649 F CA -1.086 56.968 58.000 0.090 0.000 0.961 649 F CB 0.207 39.310 39.000 0.172 0.000 1.383 649 F HN 0.064 nan 8.300 nan 0.000 0.483 650 E N 2.077 122.409 120.200 0.221 0.000 2.480 650 E HA 0.121 4.473 4.350 0.004 0.000 0.258 650 E C -2.407 174.301 176.600 0.179 0.000 0.984 650 E CA -1.233 55.238 56.400 0.117 0.000 0.930 650 E CB -0.025 29.724 29.700 0.083 0.000 0.936 650 E HN 0.275 nan 8.360 nan 0.000 0.466 651 P HA 0.031 nan 4.420 nan 0.000 0.264 651 P C -0.390 176.962 177.300 0.087 0.000 1.183 651 P CA 0.593 63.699 63.100 0.010 0.000 0.763 651 P CB 0.362 31.945 31.700 -0.195 0.000 0.807 652 I N 4.799 125.485 120.570 0.193 0.000 2.533 652 I HA 0.323 4.495 4.170 0.004 0.000 0.290 652 I C -2.436 173.795 176.117 0.190 0.000 1.056 652 I CA -3.049 58.340 61.300 0.148 0.000 1.057 652 I CB 2.442 40.454 38.000 0.020 0.000 1.240 652 I HN 0.083 nan 8.210 nan 0.000 0.423 653 P HA -0.013 nan 4.420 nan 0.000 0.266 653 P C -0.441 176.789 177.300 -0.117 0.000 1.215 653 P CA 0.001 63.109 63.100 0.013 0.000 0.763 653 P CB 0.108 31.801 31.700 -0.012 0.000 0.806 654 F N 7.814 127.514 119.950 -0.416 0.000 2.607 654 F HA 0.065 4.593 4.527 0.002 0.000 0.374 654 F C -1.341 174.166 175.800 -0.487 0.000 1.104 654 F CA -1.756 55.910 58.000 -0.556 0.000 1.296 654 F CB -0.031 38.551 39.000 -0.696 0.000 1.085 654 F HN 0.397 nan 8.300 nan 0.000 0.584 655 P HA -0.170 nan 4.420 nan 0.000 0.218 655 P C 1.997 178.789 177.300 -0.847 0.000 1.148 655 P CA 1.559 64.148 63.100 -0.853 0.000 0.822 655 P CB 0.168 31.222 31.700 -1.076 0.000 0.784 656 L N -1.505 119.086 121.223 -1.054 0.000 2.056 656 L HA -0.079 4.264 4.340 0.004 0.000 0.207 656 L C 0.053 176.846 176.870 -0.129 0.000 1.078 656 L CA 1.321 55.891 54.840 -0.451 0.000 0.749 656 L CB -0.408 41.502 42.059 -0.247 0.000 0.901 656 L HN -0.078 nan 8.230 nan 0.000 0.433 657 D N -1.667 118.650 120.400 -0.138 0.000 2.469 657 D HA 0.198 4.840 4.640 0.004 0.000 0.251 657 D C -1.878 174.305 176.300 -0.194 0.000 1.173 657 D CA -1.366 52.575 54.000 -0.098 0.000 0.882 657 D CB 1.733 42.476 40.800 -0.093 0.000 1.129 657 D HN -0.215 nan 8.370 nan 0.000 0.549 658 P HA -0.118 nan 4.420 nan 0.000 0.222 658 P C 1.122 178.241 177.300 -0.301 0.000 1.147 658 P CA 0.722 63.697 63.100 -0.208 0.000 0.790 658 P CB 0.488 32.122 31.700 -0.110 0.000 0.780 659 E N -0.701 119.363 120.200 -0.228 0.000 2.204 659 E HA -0.062 4.290 4.350 0.004 0.000 0.194 659 E C 0.530 176.886 176.600 -0.405 0.000 0.989 659 E CA 0.730 56.983 56.400 -0.244 0.000 0.824 659 E CB -0.041 29.591 29.700 -0.114 0.000 0.756 659 E HN 0.318 nan 8.360 nan 0.000 0.477 660 I N 0.854 121.162 120.570 -0.436 0.000 2.406 660 I HA 0.169 4.341 4.170 0.004 0.000 0.290 660 I C -0.645 175.151 176.117 -0.534 0.000 0.999 660 I CA -0.837 60.189 61.300 -0.457 0.000 1.124 660 I CB 1.008 38.778 38.000 -0.384 0.000 1.289 660 I HN -0.182 nan 8.210 nan 0.000 0.441 661 Y N 5.427 125.629 120.300 -0.164 0.000 2.316 661 Y HA 0.468 5.021 4.550 0.004 0.000 0.324 661 Y C 0.884 176.654 175.900 -0.216 0.000 1.267 661 Y CA -0.648 57.358 58.100 -0.156 0.000 1.311 661 Y CB 0.560 38.953 38.460 -0.111 0.000 1.267 661 Y HN 0.360 nan 8.280 nan 0.000 0.516 662 I N -1.408 119.151 120.570 -0.018 0.000 3.932 662 I HA 0.538 4.710 4.170 0.004 0.000 0.256 662 I C 0.184 176.274 176.117 -0.044 0.000 1.408 662 I CA -0.656 60.620 61.300 -0.039 0.000 0.882 662 I CB 0.708 38.694 38.000 -0.023 0.000 1.657 662 I HN 0.634 nan 8.210 nan 0.000 0.733 663 T N -1.379 112.966 114.554 -0.347 0.000 4.652 663 T HA 0.137 4.489 4.350 0.004 0.000 0.302 663 T C -0.164 173.724 174.700 -1.353 0.000 0.954 663 T CA -0.387 61.141 62.100 -0.953 0.000 0.592 663 T CB 0.014 68.634 68.868 -0.413 0.000 0.956 663 T HN 0.649 nan 8.240 nan 0.000 0.686 664 K N 0.455 120.423 120.400 -0.719 0.000 2.625 664 K HA 0.680 5.002 4.320 0.004 0.000 0.284 664 K C -2.009 174.776 176.600 0.309 0.000 0.984 664 K CA -0.692 55.519 56.287 -0.126 0.000 0.865 664 K CB 2.314 34.776 32.500 -0.063 0.000 1.468 664 K HN 0.024 nan 8.250 nan 0.000 0.407 665 I N 1.567 122.307 120.570 0.283 0.000 2.647 665 I HA 0.313 4.485 4.170 0.004 0.000 0.295 665 I C -0.666 175.476 176.117 0.040 0.000 1.078 665 I CA -1.267 60.082 61.300 0.082 0.000 1.048 665 I CB 2.355 40.365 38.000 0.017 0.000 1.239 665 I HN 0.182 nan 8.210 nan 0.000 0.421 666 V N 6.399 126.296 119.914 -0.028 0.000 2.368 666 V HA 0.175 4.297 4.120 0.004 0.000 0.266 666 V C -1.790 174.283 176.094 -0.034 0.000 1.045 666 V CA -1.180 61.113 62.300 -0.012 0.000 0.899 666 V CB 0.787 32.602 31.823 -0.013 0.000 1.006 666 V HN 0.639 nan 8.190 nan 0.000 0.470 667 P HA -0.100 nan 4.420 nan 0.000 0.217 667 P C 1.774 179.069 177.300 -0.008 0.000 1.150 667 P CA 1.086 64.193 63.100 0.012 0.000 0.832 667 P CB 0.089 31.811 31.700 0.037 0.000 0.787 668 M N -1.384 118.207 119.600 -0.014 0.000 2.229 668 M HA -0.072 4.411 4.480 0.004 0.000 0.264 668 M C 1.886 178.153 176.300 -0.055 0.000 1.063 668 M CA 1.486 56.771 55.300 -0.026 0.000 1.114 668 M CB -1.292 31.298 32.600 -0.017 0.000 1.387 668 M HN -0.082 nan 8.290 nan 0.000 0.420 669 R N -0.029 120.430 120.500 -0.069 0.000 2.236 669 R HA 0.024 4.366 4.340 0.004 0.000 0.208 669 R C 0.560 176.767 176.300 -0.154 0.000 1.036 669 R CA 0.525 56.565 56.100 -0.101 0.000 1.001 669 R CB -0.504 29.742 30.300 -0.090 0.000 0.896 669 R HN 0.488 nan 8.270 nan 0.000 0.464 670 T N 0.421 114.882 114.554 -0.155 0.000 2.799 670 T HA 0.171 4.524 4.350 0.004 0.000 0.296 670 T C 0.280 174.822 174.700 -0.262 0.000 0.947 670 T CA -0.474 61.489 62.100 -0.228 0.000 1.141 670 T CB 1.005 69.744 68.868 -0.215 0.000 0.891 670 T HN 0.069 nan 8.240 nan 0.000 0.533 671 S N 4.189 119.683 115.700 -0.343 0.000 2.726 671 S HA 0.826 5.299 4.470 0.004 0.000 0.308 671 S C -0.441 173.887 174.600 -0.454 0.000 1.115 671 S CA -1.255 56.726 58.200 -0.365 0.000 0.965 671 S CB 1.167 64.147 63.200 -0.367 0.000 1.145 671 S HN 0.751 nan 8.310 nan 0.000 0.532 672 L N 0.369 121.356 121.223 -0.393 0.000 2.319 672 L HA 0.619 4.962 4.340 0.004 0.000 0.267 672 L C -0.904 175.734 176.870 -0.388 0.000 1.011 672 L CA -0.821 53.802 54.840 -0.361 0.000 0.818 672 L CB 1.007 42.962 42.059 -0.173 0.000 1.316 672 L HN 0.600 nan 8.230 nan 0.000 0.432 673 F N 0.301 120.205 119.950 -0.077 0.000 2.368 673 F HA 0.236 4.765 4.527 0.003 0.000 0.308 673 F C 1.347 177.116 175.800 -0.053 0.000 1.198 673 F CA -0.396 57.570 58.000 -0.058 0.000 1.130 673 F CB 0.451 39.420 39.000 -0.053 0.000 1.300 673 F HN 0.362 nan 8.300 nan 0.000 0.537 674 K N 0.126 120.634 120.400 0.181 0.000 2.057 674 K HA -0.037 4.285 4.320 0.004 0.000 0.206 674 K C 0.610 177.242 176.600 0.052 0.000 1.050 674 K CA 0.911 57.242 56.287 0.074 0.000 0.935 674 K CB -0.860 31.668 32.500 0.048 0.000 0.715 674 K HN 0.556 nan 8.250 nan 0.000 0.439 675 S N 0.820 116.554 115.700 0.055 0.000 2.560 675 S HA 0.135 4.607 4.470 0.004 0.000 0.276 675 S C 1.432 176.035 174.600 0.005 0.000 1.350 675 S CA -0.218 57.987 58.200 0.008 0.000 1.024 675 S CB 0.987 64.167 63.200 -0.034 0.000 0.864 675 S HN 0.287 nan 8.310 nan 0.000 0.536 676 A N 1.737 124.554 122.820 -0.005 0.000 1.883 676 A HA 0.055 4.377 4.320 0.004 0.000 0.217 676 A C 1.074 178.660 177.584 0.004 0.000 1.186 676 A CA 0.953 52.991 52.037 0.002 0.000 0.624 676 A CB -0.466 18.536 19.000 0.003 0.000 0.822 676 A HN 0.794 nan 8.150 nan 0.000 0.444 677 L N 0.681 121.895 121.223 -0.015 0.000 2.275 677 L HA 0.553 4.895 4.340 0.004 0.000 0.288 677 L C -1.019 175.811 176.870 -0.067 0.000 1.046 677 L CA -0.234 54.595 54.840 -0.018 0.000 0.805 677 L CB 1.010 43.051 42.059 -0.030 0.000 1.193 677 L HN 0.394 nan 8.230 nan 0.000 0.426 678 M N 8.301 127.884 119.600 -0.028 0.000 2.063 678 M HA 0.360 4.843 4.480 0.004 0.000 0.348 678 M C -2.194 174.013 176.300 -0.154 0.000 1.180 678 M CA -1.619 53.670 55.300 -0.019 0.000 1.059 678 M CB 1.076 33.712 32.600 0.059 0.000 1.544 678 M HN 0.388 nan 8.290 nan 0.000 0.447 679 P HA 0.303 nan 4.420 nan 0.000 0.278 679 P C -0.833 176.518 177.300 0.086 0.000 1.238 679 P CA -0.392 62.592 63.100 -0.194 0.000 0.794 679 P CB 0.779 32.457 31.700 -0.036 0.000 0.955 680 A N 2.833 125.728 122.820 0.125 0.000 2.287 680 A HA 0.345 4.667 4.320 0.004 0.000 0.273 680 A C 0.396 177.956 177.584 -0.040 0.000 1.091 680 A CA -0.462 51.482 52.037 -0.155 0.000 0.817 680 A CB 0.045 18.755 19.000 -0.482 0.000 1.069 680 A HN 0.551 nan 8.150 nan 0.000 0.492 681 K N 0.288 120.542 120.400 -0.244 0.000 2.126 681 K HA 0.540 4.862 4.320 0.004 0.000 0.257 681 K C -0.859 175.644 176.600 -0.161 0.000 1.007 681 K CA -0.377 55.816 56.287 -0.156 0.000 0.928 681 K CB 0.351 32.620 32.500 -0.387 0.000 1.013 681 K HN 0.541 nan 8.250 nan 0.000 0.473 682 L N 1.337 122.515 121.223 -0.075 0.000 2.309 682 L HA 0.475 4.817 4.340 0.004 0.000 0.261 682 L C -0.256 176.450 176.870 -0.273 0.000 1.021 682 L CA -0.755 53.941 54.840 -0.241 0.000 0.823 682 L CB 2.168 44.027 42.059 -0.334 0.000 1.366 682 L HN 0.787 nan 8.230 nan 0.000 0.423 683 T N 0.527 114.851 114.554 -0.382 0.000 2.924 683 T HA 0.737 5.089 4.350 0.004 0.000 0.291 683 T C -0.707 173.707 174.700 -0.477 0.000 1.045 683 T CA -0.249 61.711 62.100 -0.233 0.000 1.015 683 T CB 1.619 70.425 68.868 -0.102 0.000 1.103 683 T HN 0.213 nan 8.240 nan 0.000 0.496 684 F N 0.157 120.143 119.950 0.059 0.000 2.631 684 F HA 0.682 5.211 4.527 0.002 0.000 0.328 684 F C 0.426 176.250 175.800 0.039 0.000 1.067 684 F CA -1.526 56.513 58.000 0.064 0.000 0.969 684 F CB 0.974 39.990 39.000 0.026 0.000 1.332 684 F HN 0.393 nan 8.300 nan 0.000 0.490 685 V N -0.994 119.039 119.914 0.197 0.000 2.953 685 V HA 0.544 4.666 4.120 0.004 0.000 0.304 685 V C 0.161 176.285 176.094 0.049 0.000 1.073 685 V CA -0.629 61.736 62.300 0.107 0.000 1.064 685 V CB 0.892 32.731 31.823 0.025 0.000 1.047 685 V HN 0.884 nan 8.190 nan 0.000 0.478 686 T N 0.812 115.369 114.554 0.006 0.000 2.868 686 T HA 0.237 4.590 4.350 0.004 0.000 0.292 686 T C 1.420 176.036 174.700 -0.139 0.000 1.028 686 T CA 0.220 62.276 62.100 -0.073 0.000 1.059 686 T CB 1.041 69.870 68.868 -0.065 0.000 0.991 686 T HN 1.497 nan 8.240 nan 0.000 0.531 687 S N 1.195 116.838 115.700 -0.094 0.000 2.419 687 S HA -0.078 4.395 4.470 0.004 0.000 0.233 687 S C 1.082 175.580 174.600 -0.170 0.000 1.016 687 S CA 0.306 58.447 58.200 -0.098 0.000 0.974 687 S CB -0.827 62.409 63.200 0.061 0.000 0.786 687 S HN 0.829 nan 8.310 nan 0.000 0.492 688 I N -1.754 118.702 120.570 -0.191 0.000 2.441 688 I HA 0.695 4.867 4.170 0.004 0.000 0.295 688 I C 0.687 176.544 176.117 -0.435 0.000 0.994 688 I CA -0.090 61.062 61.300 -0.247 0.000 1.144 688 I CB 0.302 38.202 38.000 -0.167 0.000 1.314 688 I HN 0.354 nan 8.210 nan 0.000 0.445 689 A N 5.330 127.961 122.820 -0.315 0.000 2.750 689 A HA -0.257 4.066 4.320 0.004 0.000 0.298 689 A C 1.064 178.606 177.584 -0.069 0.000 1.500 689 A CA 1.809 53.741 52.037 -0.176 0.000 0.891 689 A CB -2.600 16.321 19.000 -0.133 0.000 0.972 689 A HN 1.192 nan 8.150 nan 0.000 0.531 690 H N -3.627 115.339 119.070 -0.173 0.000 3.631 690 H HA -0.204 4.355 4.556 0.004 0.000 0.202 690 H C 0.275 175.654 175.328 0.085 0.000 1.029 690 H CA 1.310 57.342 56.048 -0.027 0.000 1.208 690 H CB -2.030 27.746 29.762 0.023 0.000 1.124 690 H HN 1.007 nan 8.280 nan 0.000 0.329 691 H N 2.488 121.630 119.070 0.120 0.000 3.140 691 H HA 0.107 4.666 4.556 0.004 0.000 0.316 691 H C 0.898 176.294 175.328 0.113 0.000 0.986 691 H CA 0.723 56.834 56.048 0.103 0.000 1.397 691 H CB 0.264 30.077 29.762 0.085 0.000 1.377 691 H HN 0.480 nan 8.280 nan 0.000 0.585 692 E N 1.156 121.502 120.200 0.244 0.000 2.369 692 E HA 0.260 4.613 4.350 0.004 0.000 0.255 692 E C -0.530 176.232 176.600 0.269 0.000 1.172 692 E CA -0.296 56.230 56.400 0.211 0.000 0.932 692 E CB 0.902 30.689 29.700 0.144 0.000 1.040 692 E HN 0.576 nan 8.360 nan 0.000 0.454 693 Y N -0.437 119.934 120.300 0.118 0.000 2.562 693 Y HA 0.613 5.165 4.550 0.004 0.000 0.343 693 Y C -1.085 174.918 175.900 0.170 0.000 1.025 693 Y CA -0.852 57.303 58.100 0.093 0.000 1.082 693 Y CB 1.485 39.907 38.460 -0.064 0.000 1.264 693 Y HN 0.542 nan 8.280 nan 0.000 0.478 694 A N 2.433 125.184 122.820 -0.114 0.000 2.384 694 A HA 0.968 5.291 4.320 0.004 0.000 0.312 694 A C -1.458 176.186 177.584 0.099 0.000 1.113 694 A CA -0.128 51.951 52.037 0.070 0.000 0.779 694 A CB 1.116 20.066 19.000 -0.084 0.000 1.307 694 A HN 1.124 nan 8.150 nan 0.000 0.436 695 A N 0.247 123.343 122.820 0.460 0.000 2.486 695 A HA 0.818 5.140 4.320 0.004 0.000 0.289 695 A C -0.525 177.354 177.584 0.492 0.000 1.176 695 A CA -0.625 51.745 52.037 0.556 0.000 0.757 695 A CB 0.521 20.113 19.000 0.986 0.000 1.337 695 A HN 0.765 nan 8.150 nan 0.000 0.423 696 I N -0.547 120.304 120.570 0.469 0.000 2.970 696 I HA 0.514 4.687 4.170 0.004 0.000 0.310 696 I C -0.693 175.633 176.117 0.349 0.000 1.010 696 I CA -0.229 61.300 61.300 0.382 0.000 1.228 696 I CB 1.009 39.176 38.000 0.277 0.000 1.433 696 I HN 0.568 nan 8.210 nan 0.000 0.573 697 F N 2.791 122.749 119.950 0.014 0.000 2.653 697 F HA 0.415 4.945 4.527 0.004 0.000 0.327 697 F C -0.707 175.026 175.800 -0.112 0.000 1.195 697 F CA -0.726 57.157 58.000 -0.195 0.000 0.993 697 F CB 1.088 39.949 39.000 -0.233 0.000 1.259 697 F HN 0.239 nan 8.300 nan 0.000 0.478 698 K N 4.407 124.420 120.400 -0.644 0.000 2.185 698 K HA 0.355 4.678 4.320 0.004 0.000 0.269 698 K C 0.025 176.305 176.600 -0.533 0.000 0.987 698 K CA -0.563 55.391 56.287 -0.555 0.000 0.865 698 K CB 0.595 32.889 32.500 -0.344 0.000 1.090 698 K HN 0.689 nan 8.250 nan 0.000 0.450 699 H N 2.018 120.950 119.070 -0.229 0.000 2.586 699 H HA 0.191 4.749 4.556 0.004 0.000 0.273 699 H C 0.923 176.221 175.328 -0.049 0.000 0.997 699 H CA 0.173 56.149 56.048 -0.120 0.000 1.177 699 H CB 1.069 30.841 29.762 0.017 0.000 1.471 699 H HN 0.775 nan 8.280 nan 0.000 0.538 700 G N 0.436 109.213 108.800 -0.037 0.000 3.342 700 G HA2 0.117 4.079 3.960 0.004 0.000 0.252 700 G HA3 0.117 4.079 3.960 0.004 0.000 0.252 700 G C -0.373 174.511 174.900 -0.026 0.000 1.011 700 G CA 0.239 45.332 45.100 -0.012 0.000 0.869 700 G HN 0.417 nan 8.290 nan 0.000 0.514 701 D N -1.081 119.287 120.400 -0.053 0.000 2.792 701 D HA 0.143 4.785 4.640 0.004 0.000 0.335 701 D C -1.929 174.330 176.300 -0.068 0.000 1.353 701 D CA -0.681 53.289 54.000 -0.050 0.000 0.839 701 D CB 0.350 41.120 40.800 -0.050 0.000 1.396 701 D HN -0.216 nan 8.370 nan 0.000 0.479 702 D N 0.064 120.429 120.400 -0.057 0.000 2.336 702 D HA 0.239 4.882 4.640 0.004 0.000 0.249 702 D C 0.900 177.171 176.300 -0.049 0.000 1.213 702 D CA -0.191 53.773 54.000 -0.060 0.000 0.870 702 D CB 0.773 41.547 40.800 -0.044 0.000 1.076 702 D HN 0.392 nan 8.370 nan 0.000 0.483 703 L N 3.750 124.942 121.223 -0.053 0.000 2.313 703 L HA 0.016 4.358 4.340 0.004 0.000 0.214 703 L C 2.355 179.228 176.870 0.005 0.000 1.119 703 L CA 0.143 54.971 54.840 -0.019 0.000 0.809 703 L CB -0.021 42.024 42.059 -0.023 0.000 0.933 703 L HN 0.363 nan 8.230 nan 0.000 0.449 704 R N 0.043 120.538 120.500 -0.008 0.000 2.196 704 R HA -0.341 4.001 4.340 0.004 0.000 0.259 704 R C 2.163 178.466 176.300 0.004 0.000 1.154 704 R CA 2.338 58.441 56.100 0.004 0.000 0.976 704 R CB -0.524 29.770 30.300 -0.009 0.000 0.888 704 R HN 0.460 nan 8.270 nan 0.000 0.453 705 Q N 0.783 120.584 119.800 0.002 0.000 2.123 705 Q HA -0.155 4.188 4.340 0.004 0.000 0.199 705 Q C 0.929 176.949 176.000 0.033 0.000 0.966 705 Q CA 1.946 57.751 55.803 0.003 0.000 0.845 705 Q CB 0.179 28.922 28.738 0.008 0.000 0.907 705 Q HN 0.322 nan 8.270 nan 0.000 0.439 706 D N 0.191 120.639 120.400 0.080 0.000 2.183 706 D HA -0.181 4.462 4.640 0.004 0.000 0.203 706 D C 1.821 178.169 176.300 0.081 0.000 0.969 706 D CA 1.359 55.460 54.000 0.167 0.000 0.842 706 D CB 0.012 40.948 40.800 0.226 0.000 0.957 706 D HN 0.533 nan 8.370 nan 0.000 0.484 707 Q N 0.433 120.262 119.800 0.049 0.000 2.187 707 Q HA -0.061 4.281 4.340 0.004 0.000 0.199 707 Q C 2.145 178.136 176.000 -0.015 0.000 0.957 707 Q CA 0.659 56.483 55.803 0.035 0.000 0.857 707 Q CB -0.331 28.451 28.738 0.074 0.000 0.929 707 Q HN 0.373 nan 8.270 nan 0.000 0.453 708 L N 0.073 121.272 121.223 -0.040 0.000 2.072 708 L HA -0.095 4.247 4.340 0.004 0.000 0.205 708 L C 2.151 178.949 176.870 -0.121 0.000 1.079 708 L CA 0.721 55.504 54.840 -0.094 0.000 0.752 708 L CB -0.086 41.888 42.059 -0.142 0.000 0.906 708 L HN 0.240 nan 8.230 nan 0.000 0.436 709 I N 0.024 120.508 120.570 -0.144 0.000 2.315 709 I HA -0.244 3.928 4.170 0.004 0.000 0.248 709 I C 2.451 178.393 176.117 -0.291 0.000 1.117 709 I CA 1.293 62.438 61.300 -0.258 0.000 1.404 709 I CB -0.794 36.917 38.000 -0.481 0.000 1.071 709 I HN 0.325 nan 8.210 nan 0.000 0.419 710 L N 0.213 121.298 121.223 -0.230 0.000 2.072 710 L HA -0.186 4.157 4.340 0.004 0.000 0.205 710 L C 2.646 179.419 176.870 -0.161 0.000 1.079 710 L CA 1.371 56.075 54.840 -0.227 0.000 0.752 710 L CB -0.664 41.254 42.059 -0.235 0.000 0.906 710 L HN 0.284 nan 8.230 nan 0.000 0.436 711 Q N -0.853 118.877 119.800 -0.115 0.000 2.096 711 Q HA -0.263 4.080 4.340 0.004 0.000 0.204 711 Q C 2.168 178.116 176.000 -0.088 0.000 0.982 711 Q CA 1.599 57.345 55.803 -0.095 0.000 0.850 711 Q CB -0.006 28.686 28.738 -0.075 0.000 0.901 711 Q HN 0.394 nan 8.270 nan 0.000 0.422 712 M N 0.141 119.693 119.600 -0.080 0.000 2.132 712 M HA -0.105 4.377 4.480 0.004 0.000 0.263 712 M C 2.185 178.435 176.300 -0.084 0.000 1.065 712 M CA 1.133 56.412 55.300 -0.034 0.000 1.122 712 M CB -0.609 32.005 32.600 0.023 0.000 1.365 712 M HN 0.288 nan 8.290 nan 0.000 0.411 713 I N -0.578 119.909 120.570 -0.139 0.000 2.353 713 I HA -0.219 3.953 4.170 0.004 0.000 0.248 713 I C 2.066 178.103 176.117 -0.133 0.000 1.119 713 I CA 1.084 62.290 61.300 -0.157 0.000 1.417 713 I CB -0.579 37.322 38.000 -0.165 0.000 1.078 713 I HN 0.268 nan 8.210 nan 0.000 0.421 714 T N 1.449 115.930 114.554 -0.121 0.000 2.746 714 T HA -0.156 4.197 4.350 0.004 0.000 0.267 714 T C 1.988 176.623 174.700 -0.109 0.000 1.039 714 T CA 1.045 63.080 62.100 -0.109 0.000 1.142 714 T CB -0.223 68.580 68.868 -0.109 0.000 0.866 714 T HN 0.292 nan 8.240 nan 0.000 0.444 715 L N 0.226 121.388 121.223 -0.101 0.000 2.072 715 L HA 0.013 4.355 4.340 0.004 0.000 0.205 715 L C 2.414 179.224 176.870 -0.100 0.000 1.079 715 L CA 1.442 56.227 54.840 -0.092 0.000 0.752 715 L CB -0.340 41.691 42.059 -0.047 0.000 0.906 715 L HN 0.340 nan 8.230 nan 0.000 0.436 716 M N -0.573 118.967 119.600 -0.101 0.000 2.117 716 M HA -0.232 4.250 4.480 0.004 0.000 0.262 716 M C 1.921 178.141 176.300 -0.134 0.000 1.065 716 M CA 1.877 57.110 55.300 -0.113 0.000 1.114 716 M CB -0.691 31.843 32.600 -0.111 0.000 1.361 716 M HN 0.327 nan 8.290 nan 0.000 0.408 717 D N 0.811 121.131 120.400 -0.133 0.000 2.117 717 D HA -0.180 4.462 4.640 0.004 0.000 0.197 717 D C 1.752 177.978 176.300 -0.125 0.000 0.987 717 D CA 1.363 55.286 54.000 -0.128 0.000 0.829 717 D CB -0.014 40.719 40.800 -0.112 0.000 0.961 717 D HN 0.292 nan 8.370 nan 0.000 0.460 718 K N -0.152 120.174 120.400 -0.123 0.000 2.097 718 K HA -0.069 4.253 4.320 0.004 0.000 0.206 718 K C 2.407 178.918 176.600 -0.148 0.000 1.049 718 K CA 0.581 56.795 56.287 -0.121 0.000 0.933 718 K CB 0.019 32.449 32.500 -0.116 0.000 0.717 718 K HN 0.266 nan 8.250 nan 0.000 0.442 719 L N 0.629 121.736 121.223 -0.194 0.000 2.109 719 L HA -0.126 4.216 4.340 0.004 0.000 0.207 719 L C 2.190 178.898 176.870 -0.270 0.000 1.086 719 L CA 0.750 55.403 54.840 -0.313 0.000 0.760 719 L CB -0.278 41.517 42.059 -0.439 0.000 0.910 719 L HN 0.176 nan 8.230 nan 0.000 0.437 720 L N -0.768 120.331 121.223 -0.208 0.000 2.179 720 L HA -0.075 4.267 4.340 0.004 0.000 0.208 720 L C 2.704 179.464 176.870 -0.182 0.000 1.096 720 L CA 0.860 55.574 54.840 -0.210 0.000 0.779 720 L CB -0.492 41.463 42.059 -0.173 0.000 0.922 720 L HN 0.265 nan 8.230 nan 0.000 0.443 721 R N -0.178 120.237 120.500 -0.142 0.000 2.090 721 R HA -0.045 4.297 4.340 0.004 0.000 0.228 721 R C 2.362 178.603 176.300 -0.097 0.000 1.110 721 R CA 0.565 56.601 56.100 -0.108 0.000 0.973 721 R CB -0.104 30.144 30.300 -0.087 0.000 0.869 721 R HN 0.305 nan 8.270 nan 0.000 0.440 722 R N 0.659 121.096 120.500 -0.106 0.000 2.096 722 R HA -0.112 4.230 4.340 0.004 0.000 0.235 722 R C 1.794 178.060 176.300 -0.057 0.000 1.127 722 R CA 1.091 57.146 56.100 -0.075 0.000 0.968 722 R CB 0.023 30.275 30.300 -0.080 0.000 0.861 722 R HN 0.206 nan 8.270 nan 0.000 0.440 723 E N -0.296 119.846 120.200 -0.096 0.000 2.152 723 E HA -0.109 4.243 4.350 0.004 0.000 0.192 723 E C 0.634 177.174 176.600 -0.100 0.000 0.983 723 E CA 0.347 56.691 56.400 -0.094 0.000 0.818 723 E CB -0.187 29.328 29.700 -0.308 0.000 0.758 723 E HN 0.342 nan 8.360 nan 0.000 0.467 724 N N -0.419 118.210 118.700 -0.117 0.000 3.158 724 N HA -0.125 4.617 4.740 0.004 0.000 0.245 724 N C -1.143 174.303 175.510 -0.107 0.000 1.123 724 N CA -0.005 52.992 53.050 -0.088 0.000 0.791 724 N CB -0.876 37.582 38.487 -0.049 0.000 1.117 724 N HN 0.014 nan 8.380 nan 0.000 0.545 725 L N 1.643 122.770 121.223 -0.158 0.000 2.272 725 L HA 0.407 4.749 4.340 0.004 0.000 0.289 725 L C -0.095 176.710 176.870 -0.108 0.000 1.032 725 L CA -0.004 54.752 54.840 -0.139 0.000 0.810 725 L CB 1.412 43.352 42.059 -0.199 0.000 1.205 725 L HN 0.125 nan 8.230 nan 0.000 0.422 726 D N 4.573 124.928 120.400 -0.074 0.000 2.446 726 D HA 0.243 4.886 4.640 0.004 0.000 0.251 726 D C 0.556 176.830 176.300 -0.044 0.000 1.137 726 D CA -0.336 53.628 54.000 -0.059 0.000 0.890 726 D CB 1.017 41.790 40.800 -0.046 0.000 1.071 726 D HN 0.384 nan 8.370 nan 0.000 0.528 727 L N 3.157 124.353 121.223 -0.045 0.000 2.629 727 L HA 0.140 4.482 4.340 0.004 0.000 0.230 727 L C 0.726 177.606 176.870 0.016 0.000 1.151 727 L CA -0.225 54.603 54.840 -0.020 0.000 0.924 727 L CB -0.433 41.606 42.059 -0.033 0.000 1.137 727 L HN 0.293 nan 8.230 nan 0.000 0.457 728 K N -0.083 120.320 120.400 0.004 0.000 3.071 728 K HA -0.169 4.154 4.320 0.004 0.000 0.265 728 K C 0.031 176.674 176.600 0.071 0.000 1.060 728 K CA 0.569 56.868 56.287 0.021 0.000 0.767 728 K CB -2.352 30.159 32.500 0.019 0.000 1.241 728 K HN 0.412 nan 8.250 nan 0.000 0.486 729 L N 1.182 122.441 121.223 0.060 0.000 2.483 729 L HA 0.088 4.430 4.340 0.004 0.000 0.275 729 L C 1.156 178.091 176.870 0.109 0.000 1.220 729 L CA 0.547 55.470 54.840 0.138 0.000 0.833 729 L CB 0.139 42.180 42.059 -0.030 0.000 1.102 729 L HN 0.221 nan 8.230 nan 0.000 0.490 730 T N -0.497 114.169 114.554 0.188 0.000 2.809 730 T HA 0.482 4.834 4.350 0.004 0.000 0.296 730 T C -2.493 172.281 174.700 0.123 0.000 1.015 730 T CA -1.681 60.431 62.100 0.019 0.000 0.954 730 T CB 1.272 69.934 68.868 -0.342 0.000 0.950 730 T HN 0.352 nan 8.240 nan 0.000 0.450 731 P HA 0.286 nan 4.420 nan 0.000 0.220 731 P C -0.544 176.733 177.300 -0.038 0.000 1.828 731 P CA -0.786 62.290 63.100 -0.041 0.000 1.159 731 P CB -0.483 31.183 31.700 -0.057 0.000 1.758 732 Y N -0.347 119.987 120.300 0.057 0.000 2.258 732 Y HA 0.440 4.992 4.550 0.003 0.000 0.345 732 Y C 0.287 176.245 175.900 0.098 0.000 1.303 732 Y CA -0.743 57.390 58.100 0.055 0.000 1.537 732 Y CB 0.697 39.186 38.460 0.047 0.000 1.383 732 Y HN -0.058 nan 8.280 nan 0.000 0.606 733 K N 1.603 122.213 120.400 0.351 0.000 2.213 733 K HA 0.560 4.882 4.320 0.004 0.000 0.270 733 K C -1.350 175.440 176.600 0.317 0.000 1.002 733 K CA -0.757 55.673 56.287 0.239 0.000 0.868 733 K CB 1.947 34.590 32.500 0.237 0.000 1.093 733 K HN 0.528 nan 8.250 nan 0.000 0.454 734 V N 4.031 124.073 119.914 0.213 0.000 2.732 734 V HA 0.432 4.554 4.120 0.004 0.000 0.310 734 V C -0.661 175.521 176.094 0.147 0.000 1.053 734 V CA -0.950 61.480 62.300 0.216 0.000 0.957 734 V CB 1.740 33.676 31.823 0.188 0.000 1.018 734 V HN 0.556 nan 8.190 nan 0.000 0.452 735 L N 3.447 124.727 121.223 0.096 0.000 2.354 735 L HA 0.963 5.305 4.340 0.004 0.000 0.264 735 L C 0.003 176.857 176.870 -0.028 0.000 1.008 735 L CA -0.340 54.500 54.840 0.000 0.000 0.819 735 L CB 1.776 43.745 42.059 -0.150 0.000 1.339 735 L HN 0.733 nan 8.230 nan 0.000 0.420 736 A N 2.163 124.942 122.820 -0.069 0.000 2.302 736 A HA 0.681 5.003 4.320 0.004 0.000 0.285 736 A C 0.246 177.721 177.584 -0.183 0.000 1.105 736 A CA -0.207 51.771 52.037 -0.098 0.000 0.816 736 A CB 0.053 19.003 19.000 -0.084 0.000 1.067 736 A HN 0.843 nan 8.150 nan 0.000 0.489 737 T N 0.961 115.403 114.554 -0.186 0.000 2.771 737 T HA 0.391 4.743 4.350 0.004 0.000 0.290 737 T C 0.969 175.571 174.700 -0.165 0.000 1.005 737 T CA 0.409 62.378 62.100 -0.218 0.000 0.944 737 T CB 0.375 69.216 68.868 -0.045 0.000 1.147 737 T HN 1.304 nan 8.240 nan 0.000 0.534 738 S N 1.824 117.512 115.700 -0.020 0.000 2.817 738 S HA -0.034 4.438 4.470 0.004 0.000 0.333 738 S C 0.523 174.784 174.600 -0.565 0.000 1.227 738 S CA -0.272 57.830 58.200 -0.163 0.000 1.027 738 S CB -0.566 62.677 63.200 0.073 0.000 0.732 738 S HN 0.943 nan 8.310 nan 0.000 0.499 739 S N 2.920 118.451 115.700 -0.281 0.000 2.573 739 S HA 0.102 4.574 4.470 0.004 0.000 0.297 739 S C 0.840 175.281 174.600 -0.265 0.000 1.280 739 S CA 0.190 58.254 58.200 -0.227 0.000 1.061 739 S CB 0.104 63.242 63.200 -0.103 0.000 0.812 739 S HN 1.926 nan 8.310 nan 0.000 0.500 740 K N -0.229 120.057 120.400 -0.190 0.000 3.595 740 K HA -0.197 4.125 4.320 0.004 0.000 0.264 740 K C -0.750 175.888 176.600 0.063 0.000 1.163 740 K CA 1.265 57.527 56.287 -0.042 0.000 1.011 740 K CB -2.497 30.044 32.500 0.068 0.000 1.297 740 K HN 0.938 nan 8.250 nan 0.000 0.520 741 H N 0.512 119.513 119.070 -0.114 0.000 2.573 741 H HA 0.857 5.415 4.556 0.004 0.000 0.351 741 H C 0.632 175.773 175.328 -0.312 0.000 1.163 741 H CA -0.167 55.706 56.048 -0.292 0.000 1.205 741 H CB 1.973 31.670 29.762 -0.109 0.000 1.605 741 H HN 0.402 nan 8.280 nan 0.000 0.525 742 G N 0.018 108.544 108.800 -0.458 0.000 2.721 742 G HA2 0.513 4.476 3.960 0.004 0.000 0.296 742 G HA3 0.513 4.476 3.960 0.004 0.000 0.296 742 G C -1.838 172.896 174.900 -0.277 0.000 1.383 742 G CA -0.777 44.177 45.100 -0.243 0.000 0.788 742 G HN 0.360 nan 8.290 nan 0.000 0.500 743 F N -0.678 119.257 119.950 -0.025 0.000 2.575 743 F HA 0.788 5.317 4.527 0.002 0.000 0.330 743 F C 0.149 176.024 175.800 0.124 0.000 1.056 743 F CA -0.756 57.318 58.000 0.122 0.000 0.964 743 F CB 2.308 41.359 39.000 0.086 0.000 1.258 743 F HN 0.142 nan 8.300 nan 0.000 0.484 744 L N 1.004 122.458 121.223 0.385 0.000 2.445 744 L HA 0.429 4.772 4.340 0.004 0.000 0.262 744 L C -0.703 176.396 176.870 0.380 0.000 0.974 744 L CA -1.031 54.016 54.840 0.346 0.000 0.822 744 L CB 1.863 44.056 42.059 0.223 0.000 1.339 744 L HN 0.573 nan 8.230 nan 0.000 0.409 745 Q N 1.501 121.528 119.800 0.379 0.000 2.349 745 Q HA 0.038 4.380 4.340 0.004 0.000 0.287 745 Q C -1.628 174.479 176.000 0.178 0.000 1.044 745 Q CA 0.154 56.143 55.803 0.310 0.000 0.918 745 Q CB 0.755 29.674 28.738 0.302 0.000 1.242 745 Q HN 0.531 nan 8.270 nan 0.000 0.405 746 Y N 4.620 124.930 120.300 0.018 0.000 2.342 746 Y HA 0.445 4.997 4.550 0.004 0.000 0.338 746 Y C -0.965 174.913 175.900 -0.036 0.000 0.965 746 Y CA -0.911 57.185 58.100 -0.006 0.000 1.159 746 Y CB 0.953 39.450 38.460 0.062 0.000 1.157 746 Y HN 0.434 nan 8.280 nan 0.000 0.486 747 V N 2.759 122.341 119.914 -0.554 0.000 2.547 747 V HA 0.478 4.600 4.120 0.004 0.000 0.299 747 V C -0.627 175.077 176.094 -0.649 0.000 1.040 747 V CA -0.827 61.212 62.300 -0.435 0.000 0.913 747 V CB 1.737 33.353 31.823 -0.345 0.000 0.992 747 V HN 0.794 nan 8.190 nan 0.000 0.449 748 D N 3.081 123.308 120.400 -0.287 0.000 2.348 748 D HA 0.621 5.263 4.640 0.004 0.000 0.253 748 D C 0.071 176.361 176.300 -0.017 0.000 1.161 748 D CA 0.798 54.720 54.000 -0.130 0.000 0.876 748 D CB 0.971 41.836 40.800 0.107 0.000 1.160 748 D HN 1.154 nan 8.370 nan 0.000 0.459 749 S N 1.513 117.231 115.700 0.030 0.000 2.615 749 S HA 0.554 5.026 4.470 0.004 0.000 0.269 749 S C -1.357 173.292 174.600 0.083 0.000 1.161 749 S CA -1.003 57.276 58.200 0.130 0.000 0.817 749 S CB 1.267 64.590 63.200 0.205 0.000 1.131 749 S HN 0.487 nan 8.310 nan 0.000 0.467 750 C N 1.942 121.278 119.300 0.061 0.000 2.482 750 C HA 0.799 5.261 4.460 0.004 0.000 0.317 750 C C 0.648 175.584 174.990 -0.091 0.000 1.197 750 C CA 0.068 59.071 59.018 -0.026 0.000 1.432 750 C CB 0.993 28.669 27.740 -0.107 0.000 2.062 750 C HN 1.103 nan 8.230 nan 0.000 0.471 751 T N 2.817 117.302 114.554 -0.115 0.000 2.940 751 T HA 0.121 4.474 4.350 0.004 0.000 0.309 751 T C 1.289 175.900 174.700 -0.148 0.000 1.056 751 T CA 0.225 62.230 62.100 -0.158 0.000 1.137 751 T CB 0.759 69.549 68.868 -0.131 0.000 0.976 751 T HN 0.580 nan 8.240 nan 0.000 0.547 752 V N 4.742 124.566 119.914 -0.150 0.000 2.324 752 V HA -0.178 3.944 4.120 0.004 0.000 0.250 752 V C 2.894 178.913 176.094 -0.125 0.000 1.060 752 V CA 2.517 64.740 62.300 -0.128 0.000 1.042 752 V CB -1.410 30.346 31.823 -0.112 0.000 0.650 752 V HN 1.060 nan 8.190 nan 0.000 0.450 753 A N -0.708 122.048 122.820 -0.108 0.000 1.933 753 A HA -0.241 4.081 4.320 0.004 0.000 0.218 753 A C 2.142 179.661 177.584 -0.108 0.000 1.175 753 A CA 1.833 53.814 52.037 -0.094 0.000 0.628 753 A CB -0.436 18.517 19.000 -0.077 0.000 0.814 753 A HN 0.651 nan 8.150 nan 0.000 0.444 754 E N -0.431 119.696 120.200 -0.120 0.000 2.106 754 E HA -0.102 4.250 4.350 0.004 0.000 0.192 754 E C 1.911 178.396 176.600 -0.190 0.000 0.984 754 E CA 1.167 57.488 56.400 -0.131 0.000 0.806 754 E CB -0.215 29.413 29.700 -0.119 0.000 0.750 754 E HN 0.412 nan 8.360 nan 0.000 0.458 755 V N 1.473 121.240 119.914 -0.246 0.000 2.453 755 V HA -0.206 3.916 4.120 0.004 0.000 0.247 755 V C 2.200 178.143 176.094 -0.253 0.000 1.048 755 V CA 1.246 63.314 62.300 -0.386 0.000 1.049 755 V CB -0.290 31.274 31.823 -0.431 0.000 0.672 755 V HN 0.273 nan 8.190 nan 0.000 0.457 756 L N -0.199 120.925 121.223 -0.165 0.000 2.156 756 L HA -0.069 4.273 4.340 0.004 0.000 0.208 756 L C 2.604 179.414 176.870 -0.100 0.000 1.095 756 L CA 1.435 56.207 54.840 -0.113 0.000 0.770 756 L CB -0.645 41.362 42.059 -0.087 0.000 0.914 756 L HN 0.368 nan 8.230 nan 0.000 0.439 757 A N -0.103 122.654 122.820 -0.105 0.000 1.935 757 A HA -0.140 4.182 4.320 0.004 0.000 0.214 757 A C 2.344 179.875 177.584 -0.090 0.000 1.178 757 A CA 0.975 52.962 52.037 -0.084 0.000 0.640 757 A CB -0.270 18.684 19.000 -0.077 0.000 0.825 757 A HN 0.227 nan 8.150 nan 0.000 0.447 758 R N -0.453 119.974 120.500 -0.121 0.000 2.093 758 R HA 0.078 4.421 4.340 0.004 0.000 0.224 758 R C -0.291 175.946 176.300 -0.105 0.000 1.101 758 R CA 1.136 57.165 56.100 -0.117 0.000 0.979 758 R CB 0.071 30.279 30.300 -0.154 0.000 0.877 758 R HN 0.434 nan 8.270 nan 0.000 0.441 759 E N -2.460 117.668 120.200 -0.121 0.000 2.256 759 E HA 0.315 4.668 4.350 0.004 0.000 0.268 759 E C 0.214 176.776 176.600 -0.063 0.000 0.877 759 E CA 0.011 56.368 56.400 -0.073 0.000 0.757 759 E CB 1.769 31.441 29.700 -0.047 0.000 1.183 759 E HN 0.169 nan 8.360 nan 0.000 0.418 760 G N 3.221 111.997 108.800 -0.040 0.000 2.505 760 G HA2 -0.273 3.689 3.960 0.004 0.000 0.220 760 G HA3 -0.273 3.689 3.960 0.004 0.000 0.220 760 G C 0.262 175.139 174.900 -0.038 0.000 1.145 760 G CA 1.524 46.603 45.100 -0.036 0.000 0.761 760 G HN 0.596 nan 8.290 nan 0.000 0.571 761 N N -2.120 116.564 118.700 -0.028 0.000 2.329 761 N HA 0.390 5.132 4.740 0.004 0.000 0.282 761 N C 0.607 176.094 175.510 -0.038 0.000 1.198 761 N CA -0.886 52.147 53.050 -0.029 0.000 0.790 761 N CB 0.902 39.383 38.487 -0.011 0.000 1.579 761 N HN -0.068 nan 8.380 nan 0.000 0.475 762 I N -0.192 120.322 120.570 -0.093 0.000 2.248 762 I HA -0.329 3.844 4.170 0.004 0.000 0.248 762 I C 1.504 177.406 176.117 -0.359 0.000 1.107 762 I CA 1.582 62.725 61.300 -0.261 0.000 1.373 762 I CB -0.386 37.362 38.000 -0.420 0.000 1.055 762 I HN 0.617 nan 8.210 nan 0.000 0.418 763 H N 0.740 119.654 119.070 -0.260 0.000 2.353 763 H HA -0.119 4.439 4.556 0.004 0.000 0.300 763 H C 2.146 177.429 175.328 -0.074 0.000 1.090 763 H CA 1.501 57.443 56.048 -0.176 0.000 1.327 763 H CB -0.159 29.542 29.762 -0.102 0.000 1.383 763 H HN 0.245 nan 8.280 nan 0.000 0.508 764 N N -0.118 118.634 118.700 0.085 0.000 2.149 764 N HA -0.163 4.579 4.740 0.004 0.000 0.188 764 N C 1.775 177.348 175.510 0.104 0.000 1.019 764 N CA 0.911 54.011 53.050 0.083 0.000 0.857 764 N CB -0.402 38.119 38.487 0.057 0.000 0.997 764 N HN 0.287 nan 8.380 nan 0.000 0.426 765 F N 0.879 120.750 119.950 -0.133 0.000 2.163 765 F HA -0.013 4.516 4.527 0.004 0.000 0.297 765 F C 1.761 177.590 175.800 0.049 0.000 1.094 765 F CA 0.848 58.780 58.000 -0.112 0.000 1.290 765 F CB -0.703 38.150 39.000 -0.246 0.000 1.017 765 F HN -0.158 nan 8.300 nan 0.000 0.483 766 F N 0.803 120.583 119.950 -0.285 0.000 2.206 766 F HA 0.055 4.584 4.527 0.004 0.000 0.298 766 F C 2.735 178.488 175.800 -0.078 0.000 1.090 766 F CA 1.102 58.894 58.000 -0.346 0.000 1.323 766 F CB -1.175 37.602 39.000 -0.373 0.000 1.028 766 F HN -0.045 nan 8.300 nan 0.000 0.492 767 R N 0.687 121.279 120.500 0.153 0.000 2.096 767 R HA -0.174 4.168 4.340 0.004 0.000 0.235 767 R C 2.310 178.658 176.300 0.079 0.000 1.127 767 R CA 1.443 57.617 56.100 0.124 0.000 0.968 767 R CB -0.166 30.204 30.300 0.116 0.000 0.861 767 R HN 0.216 nan 8.270 nan 0.000 0.440 768 K N -0.811 119.613 120.400 0.040 0.000 2.155 768 K HA -0.142 4.181 4.320 0.004 0.000 0.203 768 K C 1.503 178.007 176.600 -0.160 0.000 1.052 768 K CA 1.255 57.496 56.287 -0.077 0.000 0.948 768 K CB 0.045 32.462 32.500 -0.139 0.000 0.728 768 K HN 0.333 nan 8.250 nan 0.000 0.448 769 H N -1.412 117.694 119.070 0.060 0.000 2.497 769 H HA 0.089 4.647 4.556 0.004 0.000 0.282 769 H C 0.240 175.409 175.328 -0.265 0.000 1.003 769 H CA 0.787 56.805 56.048 -0.049 0.000 1.307 769 H CB 0.529 30.320 29.762 0.050 0.000 1.437 769 H HN 0.212 nan 8.280 nan 0.000 0.544 770 H N -0.150 118.981 119.070 0.102 0.000 2.514 770 H HA 0.216 4.774 4.556 0.004 0.000 0.226 770 H C -2.720 172.628 175.328 0.033 0.000 1.421 770 H CA -1.396 54.680 56.048 0.046 0.000 1.394 770 H CB 1.788 31.549 29.762 -0.002 0.000 1.701 770 H HN 0.234 nan 8.280 nan 0.000 0.515 771 P HA 0.203 nan 4.420 nan 0.000 0.304 771 P C -0.271 177.072 177.300 0.071 0.000 1.360 771 P CA -0.519 62.632 63.100 0.085 0.000 0.869 771 P CB 1.616 33.349 31.700 0.055 0.000 0.988 772 C N 3.846 123.193 119.300 0.077 0.000 2.346 772 C HA 0.335 4.798 4.460 0.004 0.000 0.326 772 C C 1.555 176.582 174.990 0.062 0.000 1.224 772 C CA -0.421 58.635 59.018 0.063 0.000 1.408 772 C CB -0.156 27.623 27.740 0.064 0.000 2.089 772 C HN 0.632 nan 8.230 nan 0.000 0.456 773 D N 2.913 123.343 120.400 0.049 0.000 2.203 773 D HA -0.147 4.495 4.640 0.004 0.000 0.199 773 D C 1.260 177.585 176.300 0.042 0.000 0.997 773 D CA 1.813 55.839 54.000 0.043 0.000 0.863 773 D CB 0.310 41.128 40.800 0.031 0.000 0.928 773 D HN 0.729 nan 8.370 nan 0.000 0.458 774 N N -0.295 118.430 118.700 0.043 0.000 2.124 774 N HA 0.014 4.756 4.740 0.004 0.000 0.188 774 N C 1.026 176.563 175.510 0.045 0.000 1.045 774 N CA 1.019 54.091 53.050 0.037 0.000 0.846 774 N CB -0.214 38.294 38.487 0.035 0.000 1.020 774 N HN 0.100 nan 8.380 nan 0.000 0.432 775 G N -0.933 107.907 108.800 0.067 0.000 2.605 775 G HA2 0.442 4.405 3.960 0.004 0.000 0.296 775 G HA3 0.442 4.405 3.960 0.004 0.000 0.296 775 G C -2.234 172.753 174.900 0.144 0.000 1.304 775 G CA -0.986 44.170 45.100 0.094 0.000 0.941 775 G HN -0.102 nan 8.290 nan 0.000 0.475 776 P HA 0.037 nan 4.420 nan 0.000 0.222 776 P C -0.095 177.263 177.300 0.097 0.000 1.157 776 P CA 0.821 64.055 63.100 0.223 0.000 0.816 776 P CB 0.421 32.400 31.700 0.465 0.000 0.813 777 Y N -0.304 120.053 120.300 0.096 0.000 2.734 777 Y HA 0.481 5.033 4.550 0.004 0.000 0.278 777 Y C 1.671 177.628 175.900 0.095 0.000 1.108 777 Y CA -0.095 58.076 58.100 0.118 0.000 1.211 777 Y CB -0.240 38.349 38.460 0.214 0.000 1.182 777 Y HN 0.046 nan 8.280 nan 0.000 0.547 778 G N 0.720 109.624 108.800 0.174 0.000 2.175 778 G HA2 -0.329 3.633 3.960 0.004 0.000 0.265 778 G HA3 -0.329 3.633 3.960 0.004 0.000 0.265 778 G C 0.132 175.114 174.900 0.137 0.000 0.979 778 G CA 0.377 45.554 45.100 0.128 0.000 0.663 778 G HN 0.396 nan 8.290 nan 0.000 0.533 779 I N 1.451 122.123 120.570 0.170 0.000 2.321 779 I HA 0.358 4.530 4.170 0.004 0.000 0.291 779 I C 1.042 177.202 176.117 0.072 0.000 0.998 779 I CA -0.610 60.758 61.300 0.114 0.000 1.227 779 I CB 1.705 39.749 38.000 0.074 0.000 1.368 779 I HN 0.084 nan 8.210 nan 0.000 0.466 780 S N 4.174 119.909 115.700 0.058 0.000 2.593 780 S HA -0.012 4.461 4.470 0.004 0.000 0.300 780 S C 1.402 175.991 174.600 -0.018 0.000 1.267 780 S CA 0.341 58.561 58.200 0.032 0.000 1.065 780 S CB 0.713 63.941 63.200 0.047 0.000 0.807 780 S HN 0.758 nan 8.310 nan 0.000 0.499 781 A N 4.816 127.647 122.820 0.019 0.000 1.940 781 A HA -0.123 4.199 4.320 0.004 0.000 0.219 781 A C 1.826 179.403 177.584 -0.011 0.000 1.176 781 A CA 1.982 54.043 52.037 0.040 0.000 0.631 781 A CB -0.684 18.360 19.000 0.074 0.000 0.814 781 A HN 0.891 nan 8.150 nan 0.000 0.446 782 E N -0.141 120.028 120.200 -0.051 0.000 2.077 782 E HA -0.111 4.241 4.350 0.004 0.000 0.193 782 E C 1.871 178.379 176.600 -0.154 0.000 0.989 782 E CA 1.279 57.633 56.400 -0.078 0.000 0.800 782 E CB -0.560 29.088 29.700 -0.086 0.000 0.746 782 E HN 0.369 nan 8.360 nan 0.000 0.452 783 V N 0.728 120.486 119.914 -0.259 0.000 2.392 783 V HA -0.268 3.855 4.120 0.004 0.000 0.249 783 V C 2.172 178.013 176.094 -0.422 0.000 1.059 783 V CA 1.486 63.516 62.300 -0.451 0.000 1.051 783 V CB -0.412 31.030 31.823 -0.635 0.000 0.658 783 V HN 0.320 nan 8.190 nan 0.000 0.455 784 M N -0.018 119.414 119.600 -0.279 0.000 2.175 784 M HA -0.128 4.354 4.480 0.004 0.000 0.264 784 M C 2.018 178.296 176.300 -0.037 0.000 1.063 784 M CA 1.910 57.084 55.300 -0.210 0.000 1.119 784 M CB -1.166 31.314 32.600 -0.200 0.000 1.377 784 M HN 0.521 nan 8.290 nan 0.000 0.415 785 D N -0.549 119.851 120.400 0.000 0.000 2.149 785 D HA -0.134 4.508 4.640 0.004 0.000 0.201 785 D C 1.906 178.206 176.300 0.001 0.000 0.972 785 D CA 1.851 55.885 54.000 0.057 0.000 0.835 785 D CB 0.191 41.020 40.800 0.049 0.000 0.966 785 D HN 0.370 nan 8.370 nan 0.000 0.476 786 T N -2.049 112.472 114.554 -0.055 0.000 2.951 786 T HA -0.206 4.147 4.350 0.004 0.000 0.268 786 T C 1.971 176.659 174.700 -0.020 0.000 1.073 786 T CA 0.973 63.042 62.100 -0.051 0.000 1.134 786 T CB -0.723 68.093 68.868 -0.087 0.000 0.884 786 T HN 0.335 nan 8.240 nan 0.000 0.479 787 Y N 0.863 121.072 120.300 -0.151 0.000 2.314 787 Y HA 0.202 4.754 4.550 0.004 0.000 0.293 787 Y C 1.846 177.746 175.900 0.001 0.000 1.129 787 Y CA 0.391 58.438 58.100 -0.089 0.000 1.201 787 Y CB -0.453 37.908 38.460 -0.164 0.000 0.999 787 Y HN 0.227 nan 8.280 nan 0.000 0.541 788 I N 0.570 121.010 120.570 -0.216 0.000 2.353 788 I HA -0.220 3.953 4.170 0.004 0.000 0.248 788 I C 2.215 178.284 176.117 -0.080 0.000 1.119 788 I CA 1.410 62.593 61.300 -0.195 0.000 1.417 788 I CB -0.300 37.737 38.000 0.061 0.000 1.078 788 I HN 0.106 nan 8.210 nan 0.000 0.421 789 K N -0.413 119.965 120.400 -0.036 0.000 2.116 789 K HA 0.008 4.330 4.320 0.004 0.000 0.203 789 K C 2.163 178.787 176.600 0.040 0.000 1.052 789 K CA 1.343 57.636 56.287 0.010 0.000 0.952 789 K CB -0.130 32.371 32.500 0.002 0.000 0.729 789 K HN 0.228 nan 8.250 nan 0.000 0.446 790 S N 1.153 116.879 115.700 0.043 0.000 2.382 790 S HA -0.158 4.314 4.470 0.004 0.000 0.228 790 S C 2.215 176.948 174.600 0.221 0.000 1.027 790 S CA 0.907 59.216 58.200 0.182 0.000 0.991 790 S CB -0.441 62.878 63.200 0.200 0.000 0.823 790 S HN 0.329 nan 8.310 nan 0.000 0.469 791 C N 1.557 120.864 119.300 0.011 0.000 2.446 791 C HA 0.139 4.601 4.460 0.004 0.000 0.277 791 C C 3.094 178.259 174.990 0.292 0.000 1.275 791 C CA 0.578 59.609 59.018 0.022 0.000 1.727 791 C CB -1.374 26.119 27.740 -0.411 0.000 2.010 791 C HN 0.686 nan 8.230 nan 0.000 0.486 792 A N 0.311 123.312 122.820 0.302 0.000 1.897 792 A HA 0.118 4.440 4.320 0.004 0.000 0.215 792 A C 2.390 180.023 177.584 0.081 0.000 1.181 792 A CA 1.915 54.072 52.037 0.201 0.000 0.620 792 A CB -1.261 17.724 19.000 -0.025 0.000 0.821 792 A HN 0.534 nan 8.150 nan 0.000 0.443 793 G N -1.679 107.152 108.800 0.052 0.000 2.440 793 G HA2 -0.229 3.733 3.960 0.004 0.000 0.218 793 G HA3 -0.229 3.733 3.960 0.004 0.000 0.218 793 G C 1.467 176.290 174.900 -0.130 0.000 1.154 793 G CA 1.251 46.309 45.100 -0.070 0.000 0.767 793 G HN 0.538 nan 8.290 nan 0.000 0.552 794 Y N 0.268 120.604 120.300 0.060 0.000 2.337 794 Y HA -0.040 4.512 4.550 0.004 0.000 0.293 794 Y C 3.047 178.947 175.900 -0.000 0.000 1.123 794 Y CA 0.796 58.900 58.100 0.007 0.000 1.201 794 Y CB -0.202 38.288 38.460 0.050 0.000 1.011 794 Y HN 0.247 nan 8.280 nan 0.000 0.545 795 C N -1.728 117.695 119.300 0.205 0.000 2.457 795 C HA -0.063 4.399 4.460 0.004 0.000 0.278 795 C C 2.653 177.721 174.990 0.131 0.000 1.309 795 C CA 0.383 59.508 59.018 0.179 0.000 1.735 795 C CB -1.126 26.729 27.740 0.191 0.000 1.992 795 C HN 0.297 nan 8.230 nan 0.000 0.493 796 V N 1.289 121.250 119.914 0.078 0.000 2.358 796 V HA -0.171 3.951 4.120 0.004 0.000 0.246 796 V C 2.282 178.457 176.094 0.135 0.000 1.047 796 V CA 1.911 64.273 62.300 0.103 0.000 1.035 796 V CB -0.479 31.384 31.823 0.066 0.000 0.658 796 V HN 0.523 nan 8.190 nan 0.000 0.452 797 I N 0.876 121.459 120.570 0.022 0.000 2.353 797 I HA -0.177 3.995 4.170 0.004 0.000 0.248 797 I C 2.711 178.817 176.117 -0.018 0.000 1.119 797 I CA 1.877 63.151 61.300 -0.044 0.000 1.417 797 I CB -0.641 37.245 38.000 -0.190 0.000 1.078 797 I HN 0.507 nan 8.210 nan 0.000 0.421 798 T N -1.482 113.085 114.554 0.022 0.000 2.915 798 T HA -0.250 4.102 4.350 0.004 0.000 0.269 798 T C 1.871 176.628 174.700 0.096 0.000 1.071 798 T CA 0.991 63.125 62.100 0.057 0.000 1.132 798 T CB -0.672 68.238 68.868 0.069 0.000 0.878 798 T HN 0.434 nan 8.240 nan 0.000 0.479 799 Y N 1.806 122.121 120.300 0.024 0.000 2.263 799 Y HA 0.279 4.831 4.550 0.004 0.000 0.292 799 Y C 1.867 177.789 175.900 0.037 0.000 1.130 799 Y CA 0.508 58.626 58.100 0.030 0.000 1.179 799 Y CB -0.438 38.021 38.460 -0.002 0.000 0.998 799 Y HN 0.168 nan 8.280 nan 0.000 0.532 800 L N -0.394 120.687 121.223 -0.238 0.000 2.217 800 L HA -0.121 4.221 4.340 0.004 0.000 0.211 800 L C 2.024 178.741 176.870 -0.256 0.000 1.107 800 L CA 0.896 55.553 54.840 -0.304 0.000 0.783 800 L CB -0.257 41.752 42.059 -0.083 0.000 0.919 800 L HN 0.256 nan 8.230 nan 0.000 0.442 801 L N -0.971 120.164 121.223 -0.147 0.000 2.554 801 L HA 0.219 4.562 4.340 0.004 0.000 0.225 801 L C 1.289 178.144 176.870 -0.027 0.000 1.104 801 L CA 0.393 55.186 54.840 -0.077 0.000 0.866 801 L CB -0.110 41.926 42.059 -0.038 0.000 1.047 801 L HN 0.403 nan 8.230 nan 0.000 0.468 802 G N 1.112 109.885 108.800 -0.045 0.000 2.221 802 G HA2 -0.243 3.719 3.960 0.004 0.000 0.265 802 G HA3 -0.243 3.719 3.960 0.004 0.000 0.265 802 G C 0.198 175.159 174.900 0.101 0.000 1.041 802 G CA 0.168 45.279 45.100 0.018 0.000 0.807 802 G HN 0.104 nan 8.290 nan 0.000 0.502 803 V N -0.057 119.936 119.914 0.132 0.000 2.673 803 V HA 0.549 4.671 4.120 0.004 0.000 0.303 803 V C 1.295 177.510 176.094 0.202 0.000 1.046 803 V CA 0.811 63.242 62.300 0.218 0.000 1.126 803 V CB 1.106 33.117 31.823 0.313 0.000 0.934 803 V HN 0.930 nan 8.190 nan 0.000 0.487 804 G N 2.030 110.957 108.800 0.212 0.000 3.015 804 G HA2 0.566 4.528 3.960 0.004 0.000 0.281 804 G HA3 0.566 4.528 3.960 0.004 0.000 0.281 804 G C -0.189 174.784 174.900 0.122 0.000 1.386 804 G CA 0.101 45.287 45.100 0.144 0.000 0.959 804 G HN 0.937 nan 8.290 nan 0.000 0.522 805 D N -1.946 118.467 120.400 0.021 0.000 2.870 805 D HA -0.157 4.485 4.640 0.004 0.000 0.228 805 D C 0.232 176.460 176.300 -0.120 0.000 1.147 805 D CA 0.607 54.599 54.000 -0.013 0.000 0.757 805 D CB -0.556 40.301 40.800 0.095 0.000 1.091 805 D HN 0.356 nan 8.370 nan 0.000 0.429 806 R N 1.288 121.743 120.500 -0.074 0.000 2.340 806 R HA 0.536 4.879 4.340 0.004 0.000 0.300 806 R C 0.284 176.488 176.300 -0.159 0.000 1.069 806 R CA 0.057 56.062 56.100 -0.159 0.000 0.984 806 R CB 0.640 30.948 30.300 0.014 0.000 1.003 806 R HN 0.538 nan 8.270 nan 0.000 0.459 807 H N 0.870 119.904 119.070 -0.060 0.000 2.960 807 H HA 0.224 4.782 4.556 0.004 0.000 0.338 807 H C 0.065 175.323 175.328 -0.116 0.000 1.261 807 H CA -0.949 55.056 56.048 -0.072 0.000 1.136 807 H CB 0.613 30.342 29.762 -0.056 0.000 1.875 807 H HN 0.136 nan 8.280 nan 0.000 0.550 808 L N 0.556 121.834 121.223 0.090 0.000 2.127 808 L HA -0.160 4.182 4.340 0.004 0.000 0.211 808 L C 1.476 178.335 176.870 -0.018 0.000 1.089 808 L CA 1.427 56.259 54.840 -0.013 0.000 0.757 808 L CB -1.133 40.908 42.059 -0.030 0.000 0.899 808 L HN 0.681 nan 8.230 nan 0.000 0.434 809 D N -0.708 119.750 120.400 0.096 0.000 2.310 809 D HA -0.161 4.481 4.640 0.004 0.000 0.212 809 D C 1.600 177.914 176.300 0.022 0.000 0.965 809 D CA 0.865 54.911 54.000 0.077 0.000 0.879 809 D CB 0.106 40.955 40.800 0.082 0.000 0.921 809 D HN 0.365 nan 8.370 nan 0.000 0.510 810 N N -0.750 117.932 118.700 -0.030 0.000 2.332 810 N HA 0.081 4.823 4.740 0.004 0.000 0.190 810 N C -0.035 175.233 175.510 -0.403 0.000 1.117 810 N CA 0.062 52.953 53.050 -0.265 0.000 0.883 810 N CB 0.842 39.034 38.487 -0.492 0.000 1.089 810 N HN -0.046 nan 8.380 nan 0.000 0.480 811 L N 1.558 122.538 121.223 -0.404 0.000 2.344 811 L HA 0.510 4.852 4.340 0.004 0.000 0.272 811 L C -0.285 176.278 176.870 -0.512 0.000 1.035 811 L CA -0.643 53.865 54.840 -0.554 0.000 0.807 811 L CB 1.449 43.222 42.059 -0.476 0.000 1.237 811 L HN -0.028 nan 8.230 nan 0.000 0.442 812 L N 1.710 122.501 121.223 -0.721 0.000 2.309 812 L HA 0.581 4.924 4.340 0.004 0.000 0.261 812 L C -0.712 175.993 176.870 -0.274 0.000 1.021 812 L CA -0.977 53.521 54.840 -0.569 0.000 0.823 812 L CB 2.127 43.675 42.059 -0.851 0.000 1.366 812 L HN 0.255 nan 8.230 nan 0.000 0.423 813 L N 0.497 121.712 121.223 -0.014 0.000 2.365 813 L HA 0.689 5.031 4.340 0.004 0.000 0.267 813 L C 0.291 177.355 176.870 0.323 0.000 1.033 813 L CA 0.027 55.005 54.840 0.230 0.000 0.802 813 L CB 1.806 44.075 42.059 0.349 0.000 1.267 813 L HN 0.849 nan 8.230 nan 0.000 0.457 814 T N -3.037 111.724 114.554 0.345 0.000 2.901 814 T HA 0.298 4.651 4.350 0.004 0.000 0.293 814 T C 1.107 175.907 174.700 0.166 0.000 1.084 814 T CA 0.254 62.511 62.100 0.260 0.000 1.008 814 T CB 1.374 70.354 68.868 0.187 0.000 1.170 814 T HN 0.799 nan 8.240 nan 0.000 0.509 815 T N 1.190 115.785 114.554 0.067 0.000 2.720 815 T HA -0.154 4.199 4.350 0.004 0.000 0.268 815 T C 1.655 176.333 174.700 -0.038 0.000 1.037 815 T CA 1.926 63.971 62.100 -0.090 0.000 1.144 815 T CB -0.960 67.798 68.868 -0.183 0.000 0.864 815 T HN 0.608 nan 8.240 nan 0.000 0.444 816 N N 1.525 120.196 118.700 -0.048 0.000 2.417 816 N HA 0.051 4.793 4.740 0.004 0.000 0.187 816 N C 1.523 176.836 175.510 -0.328 0.000 1.027 816 N CA 1.424 54.362 53.050 -0.186 0.000 0.891 816 N CB -0.669 37.764 38.487 -0.090 0.000 0.956 816 N HN 0.861 nan 8.380 nan 0.000 0.442 817 G N -1.265 107.368 108.800 -0.278 0.000 2.218 817 G HA2 -0.247 3.716 3.960 0.004 0.000 0.216 817 G HA3 -0.247 3.716 3.960 0.004 0.000 0.216 817 G C 0.070 174.991 174.900 0.035 0.000 0.994 817 G CA -0.095 44.750 45.100 -0.424 0.000 0.637 817 G HN 0.352 nan 8.290 nan 0.000 0.505 818 K N -0.006 120.470 120.400 0.127 0.000 2.154 818 K HA 0.690 5.013 4.320 0.004 0.000 0.264 818 K C -0.141 176.663 176.600 0.341 0.000 1.008 818 K CA -0.608 55.794 56.287 0.192 0.000 0.937 818 K CB 1.834 34.425 32.500 0.151 0.000 1.002 818 K HN 0.233 nan 8.250 nan 0.000 0.469 819 L N 3.023 124.450 121.223 0.340 0.000 2.331 819 L HA 0.609 4.952 4.340 0.004 0.000 0.275 819 L C -1.139 175.905 176.870 0.290 0.000 1.022 819 L CA -0.227 54.791 54.840 0.296 0.000 0.812 819 L CB 0.627 42.821 42.059 0.224 0.000 1.257 819 L HN 0.655 nan 8.230 nan 0.000 0.435 820 F N -0.194 119.664 119.950 -0.154 0.000 2.664 820 F HA 0.594 5.123 4.527 0.004 0.000 0.317 820 F C -0.517 175.094 175.800 -0.314 0.000 1.108 820 F CA -1.076 56.650 58.000 -0.456 0.000 0.957 820 F CB 1.026 39.929 39.000 -0.161 0.000 1.365 820 F HN 0.448 nan 8.300 nan 0.000 0.475 821 H N 0.405 119.205 119.070 -0.449 0.000 2.497 821 H HA 0.769 5.327 4.556 0.004 0.000 0.348 821 H C -0.757 174.512 175.328 -0.099 0.000 1.335 821 H CA -0.749 55.175 56.048 -0.206 0.000 1.395 821 H CB 2.340 32.131 29.762 0.048 0.000 1.658 821 H HN 0.451 nan 8.280 nan 0.000 0.613 822 I N -0.284 120.063 120.570 -0.372 0.000 3.149 822 I HA -0.009 4.163 4.170 0.004 0.000 0.310 822 I C -1.036 174.562 176.117 -0.865 0.000 1.343 822 I CA -0.627 60.386 61.300 -0.478 0.000 0.955 822 I CB 2.290 40.100 38.000 -0.315 0.000 1.309 822 I HN 0.722 nan 8.210 nan 0.000 0.478 823 D N 2.859 122.931 120.400 -0.547 0.000 2.956 823 D HA -0.237 4.405 4.640 0.004 0.000 0.240 823 D C -1.083 175.009 176.300 -0.347 0.000 1.141 823 D CA 0.719 54.521 54.000 -0.329 0.000 0.820 823 D CB -0.928 39.728 40.800 -0.239 0.000 0.988 823 D HN 0.294 nan 8.370 nan 0.000 0.417 824 F N 0.297 120.284 119.950 0.061 0.000 2.626 824 F HA 0.452 4.981 4.527 0.003 0.000 0.353 824 F C 1.949 177.754 175.800 0.009 0.000 1.230 824 F CA 0.027 58.063 58.000 0.059 0.000 1.298 824 F CB 0.574 39.619 39.000 0.074 0.000 1.670 824 F HN 0.233 nan 8.300 nan 0.000 0.633 825 G N 0.197 109.035 108.800 0.064 0.000 2.426 825 G HA2 -0.111 3.851 3.960 0.004 0.000 0.214 825 G HA3 -0.111 3.851 3.960 0.004 0.000 0.214 825 G C -0.099 174.661 174.900 -0.232 0.000 1.156 825 G CA 0.278 45.310 45.100 -0.112 0.000 0.802 825 G HN 0.315 nan 8.290 nan 0.000 0.534 826 Y N -0.320 120.036 120.300 0.095 0.000 2.331 826 Y HA 0.661 5.214 4.550 0.004 0.000 0.338 826 Y C -0.364 175.609 175.900 0.120 0.000 0.976 826 Y CA -1.068 57.087 58.100 0.092 0.000 1.137 826 Y CB 1.664 40.167 38.460 0.071 0.000 1.172 826 Y HN -0.100 nan 8.280 nan 0.000 0.478 827 I N 2.742 123.458 120.570 0.244 0.000 2.934 827 I HA 0.411 4.583 4.170 0.004 0.000 0.306 827 I C -0.458 175.751 176.117 0.154 0.000 1.110 827 I CA -1.391 60.019 61.300 0.183 0.000 1.019 827 I CB 1.983 40.066 38.000 0.138 0.000 1.227 827 I HN 0.574 nan 8.210 nan 0.000 0.434 828 L N 5.875 127.170 121.223 0.120 0.000 3.660 828 L HA -0.245 4.097 4.340 0.004 0.000 0.440 828 L C 1.066 177.986 176.870 0.084 0.000 1.262 828 L CA 0.638 55.530 54.840 0.087 0.000 0.837 828 L CB -2.297 39.822 42.059 0.102 0.000 1.689 828 L HN 1.114 nan 8.230 nan 0.000 0.890 829 G N -1.316 107.538 108.800 0.090 0.000 2.168 829 G HA2 -0.314 3.648 3.960 0.004 0.000 0.263 829 G HA3 -0.314 3.648 3.960 0.004 0.000 0.263 829 G C 0.471 175.423 174.900 0.087 0.000 0.977 829 G CA 0.397 45.546 45.100 0.081 0.000 0.659 829 G HN 0.343 nan 8.290 nan 0.000 0.533 830 R N 0.791 121.366 120.500 0.126 0.000 2.537 830 R HA 0.534 4.876 4.340 0.004 0.000 0.280 830 R C -0.261 176.092 176.300 0.087 0.000 1.058 830 R CA -0.058 56.133 56.100 0.153 0.000 1.057 830 R CB 0.521 30.987 30.300 0.277 0.000 0.973 830 R HN 0.464 nan 8.270 nan 0.000 0.438 831 D N 1.239 121.609 120.400 -0.049 0.000 2.756 831 D HA 0.344 4.987 4.640 0.004 0.000 0.226 831 D C -1.720 174.343 176.300 -0.396 0.000 1.186 831 D CA -1.398 52.446 54.000 -0.260 0.000 0.845 831 D CB 2.146 42.875 40.800 -0.118 0.000 1.610 831 D HN 0.157 nan 8.370 nan 0.000 0.465 832 P HA 0.015 nan 4.420 nan 0.000 0.229 832 P C -0.152 177.047 177.300 -0.169 0.000 1.160 832 P CA 0.637 63.498 63.100 -0.398 0.000 0.777 832 P CB 0.461 31.916 31.700 -0.409 0.000 0.814 833 K N -0.282 120.031 120.400 -0.145 0.000 2.139 833 K HA 0.293 4.615 4.320 0.004 0.000 0.243 833 K C -1.745 174.830 176.600 -0.043 0.000 0.983 833 K CA -1.927 54.319 56.287 -0.067 0.000 0.890 833 K CB 0.760 33.232 32.500 -0.046 0.000 1.090 833 K HN -0.272 nan 8.250 nan 0.000 0.445 834 P HA -0.046 nan 4.420 nan 0.000 0.221 834 P C -0.006 177.297 177.300 0.005 0.000 1.150 834 P CA 1.239 64.337 63.100 -0.003 0.000 0.800 834 P CB 0.371 32.072 31.700 0.003 0.000 0.787 835 M N -2.153 117.450 119.600 0.006 0.000 2.852 835 M HA 0.365 4.848 4.480 0.004 0.000 0.301 835 M C -1.806 174.509 176.300 0.025 0.000 1.229 835 M CA -2.617 52.693 55.300 0.018 0.000 0.832 835 M CB -0.299 32.313 32.600 0.019 0.000 1.726 835 M HN -0.358 nan 8.290 nan 0.000 0.497 836 P HA 0.220 nan 4.420 nan 0.000 0.285 836 P C -2.342 174.985 177.300 0.045 0.000 1.372 836 P CA 0.013 63.144 63.100 0.051 0.000 0.764 836 P CB -1.303 30.433 31.700 0.060 0.000 1.744 837 P HA 0.025 nan 4.420 nan 0.000 0.266 837 P C -1.932 175.408 177.300 0.067 0.000 1.195 837 P CA -0.679 62.450 63.100 0.047 0.000 0.768 837 P CB -0.632 31.093 31.700 0.042 0.000 0.838 838 P HA -0.082 nan 4.420 nan 0.000 0.220 838 P C 0.317 177.667 177.300 0.084 0.000 1.148 838 P CA 1.541 64.701 63.100 0.100 0.000 0.803 838 P CB 0.228 31.944 31.700 0.026 0.000 0.782 839 M N -0.111 119.500 119.600 0.019 0.000 2.436 839 M HA 0.297 4.780 4.480 0.004 0.000 0.331 839 M C -0.233 176.120 176.300 0.089 0.000 1.135 839 M CA -0.415 54.908 55.300 0.038 0.000 0.987 839 M CB 1.923 34.508 32.600 -0.025 0.000 1.687 839 M HN -0.421 nan 8.290 nan 0.000 0.445 840 K N 5.318 125.798 120.400 0.133 0.000 2.300 840 K HA 0.522 4.844 4.320 0.004 0.000 0.264 840 K C -1.473 175.202 176.600 0.124 0.000 1.083 840 K CA 0.063 56.431 56.287 0.135 0.000 0.958 840 K CB -0.124 32.486 32.500 0.184 0.000 1.318 840 K HN 0.642 nan 8.250 nan 0.000 0.448 841 L N 1.694 122.968 121.223 0.085 0.000 2.372 841 L HA 0.257 4.599 4.340 0.004 0.000 0.274 841 L C 0.530 177.425 176.870 0.041 0.000 0.988 841 L CA -0.714 54.160 54.840 0.056 0.000 0.833 841 L CB 1.933 44.021 42.059 0.048 0.000 1.236 841 L HN 0.492 nan 8.230 nan 0.000 0.410 842 S N 2.136 117.851 115.700 0.026 0.000 2.593 842 S HA 0.121 4.593 4.470 0.004 0.000 0.269 842 S C 1.090 175.703 174.600 0.021 0.000 1.334 842 S CA -0.270 57.941 58.200 0.018 0.000 1.015 842 S CB 1.166 64.368 63.200 0.002 0.000 0.912 842 S HN 0.783 nan 8.310 nan 0.000 0.541 843 K N 0.912 121.323 120.400 0.019 0.000 2.057 843 K HA -0.173 4.149 4.320 0.004 0.000 0.207 843 K C 1.565 178.176 176.600 0.018 0.000 1.049 843 K CA 1.861 58.160 56.287 0.021 0.000 0.931 843 K CB -0.431 32.077 32.500 0.013 0.000 0.714 843 K HN 0.724 nan 8.250 nan 0.000 0.440 844 E N 0.579 120.782 120.200 0.006 0.000 2.171 844 E HA -0.191 4.161 4.350 0.004 0.000 0.197 844 E C 1.894 178.500 176.600 0.010 0.000 0.997 844 E CA 1.891 58.288 56.400 -0.004 0.000 0.810 844 E CB -0.121 29.566 29.700 -0.022 0.000 0.738 844 E HN 0.427 nan 8.360 nan 0.000 0.467 845 M N -0.797 118.822 119.600 0.032 0.000 2.334 845 M HA -0.042 4.440 4.480 0.004 0.000 0.266 845 M C 1.938 178.299 176.300 0.102 0.000 1.082 845 M CA 0.599 55.952 55.300 0.088 0.000 1.141 845 M CB 0.295 32.939 32.600 0.073 0.000 1.380 845 M HN -0.011 nan 8.290 nan 0.000 0.440 846 V N 0.546 120.496 119.914 0.061 0.000 2.453 846 V HA -0.177 3.945 4.120 0.004 0.000 0.247 846 V C 2.033 178.189 176.094 0.103 0.000 1.048 846 V CA 1.584 63.932 62.300 0.080 0.000 1.049 846 V CB -0.683 31.190 31.823 0.082 0.000 0.672 846 V HN 0.455 nan 8.190 nan 0.000 0.457 847 E N 0.781 121.023 120.200 0.069 0.000 2.106 847 E HA -0.154 4.198 4.350 0.004 0.000 0.192 847 E C 2.341 178.995 176.600 0.090 0.000 0.984 847 E CA 1.230 57.656 56.400 0.043 0.000 0.806 847 E CB -0.289 29.415 29.700 0.005 0.000 0.750 847 E HN 0.584 nan 8.360 nan 0.000 0.458 848 A N 1.026 123.933 122.820 0.145 0.000 2.024 848 A HA -0.156 4.166 4.320 0.004 0.000 0.220 848 A C 2.085 179.856 177.584 0.311 0.000 1.164 848 A CA 1.280 53.433 52.037 0.193 0.000 0.643 848 A CB -0.353 18.588 19.000 -0.098 0.000 0.806 848 A HN 0.151 nan 8.150 nan 0.000 0.451 849 M N -2.322 117.440 119.600 0.269 0.000 2.447 849 M HA 0.161 4.643 4.480 0.004 0.000 0.264 849 M C 1.377 177.822 176.300 0.241 0.000 1.095 849 M CA 1.130 56.579 55.300 0.247 0.000 1.125 849 M CB 0.409 33.129 32.600 0.199 0.000 1.389 849 M HN 0.637 nan 8.290 nan 0.000 0.459 850 G N 0.094 109.012 108.800 0.197 0.000 2.163 850 G HA2 -0.019 3.943 3.960 0.004 0.000 0.213 850 G HA3 -0.019 3.943 3.960 0.004 0.000 0.213 850 G C 0.461 175.454 174.900 0.155 0.000 0.991 850 G CA -0.245 44.965 45.100 0.184 0.000 0.653 850 G HN 0.979 nan 8.290 nan 0.000 0.518 851 G N -1.093 107.788 108.800 0.135 0.000 2.795 851 G HA2 0.092 4.055 3.960 0.004 0.000 0.664 851 G HA3 0.092 4.055 3.960 0.004 0.000 0.664 851 G C 0.693 175.568 174.900 -0.042 0.000 1.381 851 G CA -0.068 45.061 45.100 0.049 0.000 0.853 851 G HN 1.062 nan 8.290 nan 0.000 0.545 852 I N 1.259 121.721 120.570 -0.180 0.000 2.145 852 I HA -0.099 4.074 4.170 0.004 0.000 0.244 852 I C 2.421 178.413 176.117 -0.208 0.000 1.075 852 I CA 2.473 63.532 61.300 -0.402 0.000 1.332 852 I CB -0.835 37.041 38.000 -0.205 0.000 1.033 852 I HN 1.014 nan 8.210 nan 0.000 0.410 853 S N 0.568 116.249 115.700 -0.033 0.000 2.464 853 S HA 0.636 5.108 4.470 0.004 0.000 0.313 853 S C -0.041 174.631 174.600 0.120 0.000 1.078 853 S CA -0.601 57.630 58.200 0.053 0.000 1.096 853 S CB 0.531 63.754 63.200 0.038 0.000 1.032 853 S HN 0.140 nan 8.310 nan 0.000 0.498 854 S N 2.322 118.147 115.700 0.208 0.000 2.595 854 S HA 0.384 4.856 4.470 0.004 0.000 0.281 854 S C 0.199 174.956 174.600 0.262 0.000 1.117 854 S CA -0.901 57.466 58.200 0.279 0.000 0.873 854 S CB 1.584 65.023 63.200 0.398 0.000 1.108 854 S HN 0.603 nan 8.310 nan 0.000 0.477 855 E N 0.823 121.141 120.200 0.197 0.000 2.153 855 E HA -0.131 4.221 4.350 0.004 0.000 0.194 855 E C 1.320 178.002 176.600 0.136 0.000 0.988 855 E CA 1.464 57.928 56.400 0.106 0.000 0.811 855 E CB -0.188 29.496 29.700 -0.027 0.000 0.746 855 E HN 0.563 nan 8.360 nan 0.000 0.466 856 H N -1.169 118.057 119.070 0.258 0.000 2.403 856 H HA -0.017 4.541 4.556 0.004 0.000 0.298 856 H C 1.969 177.452 175.328 0.258 0.000 1.059 856 H CA 1.601 57.790 56.048 0.236 0.000 1.363 856 H CB -0.019 29.884 29.762 0.235 0.000 1.410 856 H HN 0.395 nan 8.280 nan 0.000 0.528 857 H N -0.260 119.007 119.070 0.328 0.000 2.403 857 H HA -0.085 4.473 4.556 0.004 0.000 0.298 857 H C 2.455 177.963 175.328 0.299 0.000 1.059 857 H CA 1.319 57.546 56.048 0.299 0.000 1.363 857 H CB -0.046 29.864 29.762 0.246 0.000 1.410 857 H HN 0.302 nan 8.280 nan 0.000 0.528 858 H N 0.222 119.492 119.070 0.333 0.000 2.387 858 H HA -0.102 4.456 4.556 0.004 0.000 0.299 858 H C 1.802 177.180 175.328 0.082 0.000 1.090 858 H CA 1.430 57.614 56.048 0.225 0.000 1.332 858 H CB 0.247 30.121 29.762 0.187 0.000 1.386 858 H HN 0.405 nan 8.280 nan 0.000 0.516 859 E N 0.553 120.802 120.200 0.081 0.000 2.106 859 E HA -0.144 4.208 4.350 0.004 0.000 0.192 859 E C 2.128 178.689 176.600 -0.065 0.000 0.984 859 E CA 0.649 57.048 56.400 -0.001 0.000 0.806 859 E CB -0.518 29.224 29.700 0.069 0.000 0.750 859 E HN 0.504 nan 8.360 nan 0.000 0.458 860 F N 1.397 121.236 119.950 -0.184 0.000 2.163 860 F HA -0.042 4.487 4.527 0.004 0.000 0.297 860 F C 2.205 177.772 175.800 -0.390 0.000 1.094 860 F CA 1.204 59.050 58.000 -0.257 0.000 1.290 860 F CB -0.110 38.724 39.000 -0.276 0.000 1.017 860 F HN -0.133 nan 8.300 nan 0.000 0.483 861 R N 0.656 120.691 120.500 -0.776 0.000 2.092 861 R HA -0.149 4.193 4.340 0.004 0.000 0.231 861 R C 2.371 177.914 176.300 -1.262 0.000 1.119 861 R CA 1.594 57.019 56.100 -1.126 0.000 0.970 861 R CB -0.477 29.476 30.300 -0.578 0.000 0.864 861 R HN 0.359 nan 8.270 nan 0.000 0.440 862 K N 0.828 120.840 120.400 -0.646 0.000 2.097 862 K HA -0.220 4.102 4.320 0.004 0.000 0.205 862 K C 2.064 178.501 176.600 -0.272 0.000 1.050 862 K CA 1.503 57.609 56.287 -0.301 0.000 0.938 862 K CB 0.086 32.445 32.500 -0.236 0.000 0.718 862 K HN -0.060 nan 8.250 nan 0.000 0.442 863 Q N 0.465 120.064 119.800 -0.335 0.000 2.123 863 Q HA -0.043 4.299 4.340 0.004 0.000 0.199 863 Q C 1.958 177.797 176.000 -0.269 0.000 0.966 863 Q CA 1.674 57.346 55.803 -0.217 0.000 0.845 863 Q CB -0.266 28.378 28.738 -0.158 0.000 0.907 863 Q HN 0.433 nan 8.270 nan 0.000 0.439 864 C N -0.422 118.550 119.300 -0.546 0.000 2.440 864 C HA -0.105 4.358 4.460 0.004 0.000 0.278 864 C C 2.123 176.962 174.990 -0.252 0.000 1.295 864 C CA 0.461 59.176 59.018 -0.504 0.000 1.738 864 C CB -1.011 26.209 27.740 -0.868 0.000 1.987 864 C HN 0.542 nan 8.230 nan 0.000 0.492 865 Y N 1.293 121.516 120.300 -0.128 0.000 2.220 865 Y HA -0.114 4.438 4.550 0.004 0.000 0.291 865 Y C 2.926 178.859 175.900 0.055 0.000 1.129 865 Y CA 1.634 59.720 58.100 -0.024 0.000 1.161 865 Y CB -1.647 36.781 38.460 -0.054 0.000 0.997 865 Y HN 0.437 nan 8.280 nan 0.000 0.522 866 T N -1.729 112.930 114.554 0.175 0.000 2.821 866 T HA -0.125 4.228 4.350 0.004 0.000 0.267 866 T C 2.130 176.988 174.700 0.263 0.000 1.046 866 T CA 1.187 63.403 62.100 0.192 0.000 1.139 866 T CB -0.592 68.374 68.868 0.163 0.000 0.871 866 T HN 0.249 nan 8.240 nan 0.000 0.454 867 A N -0.001 122.918 122.820 0.164 0.000 1.930 867 A HA 0.065 4.387 4.320 0.004 0.000 0.217 867 A C 2.195 179.912 177.584 0.221 0.000 1.175 867 A CA 1.370 53.495 52.037 0.147 0.000 0.627 867 A CB -1.156 17.870 19.000 0.043 0.000 0.815 867 A HN 0.611 nan 8.150 nan 0.000 0.443 868 Y N 0.678 121.024 120.300 0.076 0.000 2.200 868 Y HA -0.076 4.476 4.550 0.004 0.000 0.290 868 Y C 1.925 177.872 175.900 0.079 0.000 1.137 868 Y CA 1.393 59.544 58.100 0.085 0.000 1.163 868 Y CB -0.394 38.128 38.460 0.104 0.000 0.988 868 Y HN 0.218 nan 8.280 nan 0.000 0.518 869 L N -1.159 120.105 121.223 0.068 0.000 2.093 869 L HA -0.239 4.103 4.340 0.004 0.000 0.208 869 L C 2.491 179.281 176.870 -0.133 0.000 1.085 869 L CA 1.304 56.076 54.840 -0.113 0.000 0.755 869 L CB -0.784 41.214 42.059 -0.100 0.000 0.904 869 L HN 0.274 nan 8.230 nan 0.000 0.435 870 H N 0.016 119.087 119.070 0.001 0.000 2.423 870 H HA -0.046 4.512 4.556 0.004 0.000 0.297 870 H C 2.354 177.736 175.328 0.091 0.000 1.075 870 H CA 1.293 57.372 56.048 0.052 0.000 1.342 870 H CB 0.235 30.033 29.762 0.060 0.000 1.395 870 H HN 0.332 nan 8.280 nan 0.000 0.530 871 L N -0.076 121.228 121.223 0.135 0.000 2.179 871 L HA -0.075 4.267 4.340 0.004 0.000 0.208 871 L C 2.715 179.578 176.870 -0.011 0.000 1.096 871 L CA 0.516 55.403 54.840 0.078 0.000 0.779 871 L CB -0.146 41.942 42.059 0.049 0.000 0.922 871 L HN 0.076 nan 8.230 nan 0.000 0.443 872 R N 0.031 120.448 120.500 -0.139 0.000 2.096 872 R HA -0.132 4.210 4.340 0.004 0.000 0.235 872 R C 2.384 178.584 176.300 -0.166 0.000 1.127 872 R CA 1.323 57.289 56.100 -0.223 0.000 0.968 872 R CB -0.091 30.009 30.300 -0.332 0.000 0.861 872 R HN 0.338 nan 8.270 nan 0.000 0.440 873 R N -0.957 119.449 120.500 -0.157 0.000 2.148 873 R HA -0.042 4.300 4.340 0.004 0.000 0.223 873 R C 1.015 177.130 176.300 -0.308 0.000 1.088 873 R CA 0.828 56.770 56.100 -0.263 0.000 0.985 873 R CB -0.029 30.071 30.300 -0.334 0.000 0.880 873 R HN 0.383 nan 8.270 nan 0.000 0.451 874 H N -0.351 118.669 119.070 -0.082 0.000 2.505 874 H HA 0.297 4.855 4.556 0.004 0.000 0.289 874 H C 1.374 176.659 175.328 -0.071 0.000 1.052 874 H CA 0.188 56.198 56.048 -0.064 0.000 1.156 874 H CB 0.722 30.463 29.762 -0.035 0.000 1.507 874 H HN 0.214 nan 8.280 nan 0.000 0.548 875 A N 1.300 124.107 122.820 -0.020 0.000 1.940 875 A HA -0.227 4.095 4.320 0.004 0.000 0.219 875 A C 2.151 179.713 177.584 -0.037 0.000 1.176 875 A CA 1.299 53.311 52.037 -0.043 0.000 0.631 875 A CB -0.158 18.797 19.000 -0.075 0.000 0.814 875 A HN 0.384 nan 8.150 nan 0.000 0.446 876 N N 0.363 119.034 118.700 -0.049 0.000 2.132 876 N HA -0.172 4.570 4.740 0.004 0.000 0.191 876 N C 1.678 177.165 175.510 -0.038 0.000 1.015 876 N CA 1.974 54.992 53.050 -0.053 0.000 0.864 876 N CB -0.656 37.781 38.487 -0.083 0.000 1.006 876 N HN 0.404 nan 8.380 nan 0.000 0.430 877 V N 0.779 120.685 119.914 -0.013 0.000 2.488 877 V HA -0.075 4.047 4.120 0.004 0.000 0.246 877 V C 2.344 178.453 176.094 0.025 0.000 1.046 877 V CA 1.148 63.443 62.300 -0.007 0.000 1.053 877 V CB -0.508 31.337 31.823 0.038 0.000 0.679 877 V HN 0.160 nan 8.190 nan 0.000 0.458 878 M N -0.386 119.232 119.600 0.029 0.000 2.175 878 M HA -0.046 4.436 4.480 0.004 0.000 0.264 878 M C 2.113 178.457 176.300 0.073 0.000 1.063 878 M CA 1.798 57.129 55.300 0.052 0.000 1.119 878 M CB -0.321 32.255 32.600 -0.039 0.000 1.377 878 M HN 0.256 nan 8.290 nan 0.000 0.415 879 L N -0.403 120.824 121.223 0.008 0.000 2.179 879 L HA -0.145 4.198 4.340 0.004 0.000 0.208 879 L C 2.009 178.923 176.870 0.074 0.000 1.096 879 L CA 0.581 55.431 54.840 0.016 0.000 0.779 879 L CB -0.605 41.448 42.059 -0.011 0.000 0.922 879 L HN 0.308 nan 8.230 nan 0.000 0.443 880 N N 0.067 118.786 118.700 0.031 0.000 2.216 880 N HA -0.069 4.673 4.740 0.004 0.000 0.183 880 N C 1.899 177.422 175.510 0.022 0.000 1.017 880 N CA 1.085 54.129 53.050 -0.011 0.000 0.861 880 N CB -0.079 38.361 38.487 -0.078 0.000 0.986 880 N HN 0.252 nan 8.380 nan 0.000 0.428 881 L N -1.061 120.209 121.223 0.078 0.000 2.131 881 L HA 0.011 4.353 4.340 0.004 0.000 0.206 881 L C 1.836 178.756 176.870 0.083 0.000 1.087 881 L CA 0.684 55.569 54.840 0.074 0.000 0.767 881 L CB -0.302 41.824 42.059 0.110 0.000 0.917 881 L HN 0.038 nan 8.230 nan 0.000 0.441 882 F N -0.555 119.386 119.950 -0.016 0.000 2.206 882 F HA -0.169 4.361 4.527 0.004 0.000 0.298 882 F C 2.723 178.524 175.800 0.002 0.000 1.090 882 F CA 1.155 59.151 58.000 -0.007 0.000 1.323 882 F CB -0.124 38.869 39.000 -0.013 0.000 1.028 882 F HN -0.075 nan 8.300 nan 0.000 0.492 883 S N 0.257 116.057 115.700 0.166 0.000 2.400 883 S HA -0.161 4.311 4.470 0.004 0.000 0.232 883 S C 2.010 176.649 174.600 0.064 0.000 1.025 883 S CA 0.934 59.184 58.200 0.084 0.000 0.993 883 S CB -0.376 62.843 63.200 0.031 0.000 0.808 883 S HN 0.278 nan 8.310 nan 0.000 0.478 884 L N 0.843 122.099 121.223 0.055 0.000 2.313 884 L HA 0.127 4.469 4.340 0.004 0.000 0.214 884 L C 0.830 177.748 176.870 0.079 0.000 1.119 884 L CA 0.603 55.496 54.840 0.087 0.000 0.809 884 L CB -0.106 41.982 42.059 0.049 0.000 0.933 884 L HN 0.330 nan 8.230 nan 0.000 0.449 885 M N -0.967 118.630 119.600 -0.004 0.000 3.242 885 M HA 0.099 4.581 4.480 0.004 0.000 0.250 885 M C 1.274 177.574 176.300 0.000 0.000 1.239 885 M CA 0.112 55.387 55.300 -0.043 0.000 1.205 885 M CB -0.179 32.316 32.600 -0.174 0.000 1.189 885 M HN -0.073 nan 8.290 nan 0.000 0.531 886 V N 1.039 120.995 119.914 0.071 0.000 2.358 886 V HA -0.181 3.941 4.120 0.004 0.000 0.246 886 V C 1.164 177.301 176.094 0.071 0.000 1.047 886 V CA 1.826 64.174 62.300 0.081 0.000 1.035 886 V CB -0.176 31.713 31.823 0.110 0.000 0.658 886 V HN 0.516 nan 8.190 nan 0.000 0.452 887 D N -0.172 120.278 120.400 0.083 0.000 2.561 887 D HA 0.300 4.942 4.640 0.004 0.000 0.232 887 D C 1.541 177.861 176.300 0.032 0.000 1.198 887 D CA 0.675 54.713 54.000 0.062 0.000 0.826 887 D CB 0.703 41.543 40.800 0.066 0.000 0.992 887 D HN 0.391 nan 8.370 nan 0.000 0.490 888 A N 0.625 123.454 122.820 0.014 0.000 2.014 888 A HA -0.084 4.238 4.320 0.004 0.000 0.218 888 A C 1.586 179.165 177.584 -0.009 0.000 1.163 888 A CA 1.543 53.573 52.037 -0.011 0.000 0.652 888 A CB -0.383 18.590 19.000 -0.045 0.000 0.808 888 A HN 0.296 nan 8.150 nan 0.000 0.449 889 T N -2.156 112.399 114.554 0.003 0.000 4.096 889 T HA -0.157 4.195 4.350 0.004 0.000 0.343 889 T C -0.215 174.479 174.700 -0.010 0.000 0.756 889 T CA 0.625 62.726 62.100 0.001 0.000 1.914 889 T CB -2.635 66.236 68.868 0.005 0.000 1.873 889 T HN 0.666 nan 8.240 nan 0.000 0.850 890 V N 3.125 123.029 119.914 -0.016 0.000 2.347 890 V HA 0.372 4.495 4.120 0.004 0.000 0.280 890 V C -0.519 175.570 176.094 -0.009 0.000 1.021 890 V CA -1.319 60.968 62.300 -0.021 0.000 0.847 890 V CB 1.565 33.363 31.823 -0.041 0.000 0.990 890 V HN 0.252 nan 8.190 nan 0.000 0.444 891 P HA -0.210 nan 4.420 nan 0.000 0.214 891 P C 1.024 178.332 177.300 0.013 0.000 1.169 891 P CA 1.555 64.654 63.100 -0.003 0.000 0.908 891 P CB 0.338 32.024 31.700 -0.023 0.000 0.791 892 D N -0.349 120.061 120.400 0.016 0.000 2.149 892 D HA -0.116 4.526 4.640 0.004 0.000 0.198 892 D C 2.200 178.533 176.300 0.056 0.000 0.990 892 D CA 0.973 55.002 54.000 0.048 0.000 0.839 892 D CB -0.488 40.352 40.800 0.067 0.000 0.948 892 D HN 0.277 nan 8.370 nan 0.000 0.460 893 I N 1.039 121.634 120.570 0.042 0.000 2.439 893 I HA -0.160 4.012 4.170 0.004 0.000 0.251 893 I C 2.398 178.541 176.117 0.043 0.000 1.139 893 I CA 0.540 61.868 61.300 0.047 0.000 1.438 893 I CB 0.009 38.018 38.000 0.016 0.000 1.085 893 I HN -0.098 nan 8.210 nan 0.000 0.427 894 A N 0.123 122.962 122.820 0.033 0.000 2.067 894 A HA -0.075 4.247 4.320 0.004 0.000 0.217 894 A C 2.109 179.716 177.584 0.037 0.000 1.156 894 A CA 0.701 52.757 52.037 0.033 0.000 0.683 894 A CB -0.413 18.602 19.000 0.025 0.000 0.808 894 A HN 0.292 nan 8.150 nan 0.000 0.455 895 L N -0.777 120.471 121.223 0.042 0.000 2.042 895 L HA -0.061 4.282 4.340 0.004 0.000 0.210 895 L C 0.578 177.473 176.870 0.043 0.000 1.076 895 L CA 1.591 56.457 54.840 0.045 0.000 0.749 895 L CB 0.081 42.172 42.059 0.054 0.000 0.893 895 L HN 0.267 nan 8.230 nan 0.000 0.432 896 E N -2.291 117.936 120.200 0.045 0.000 2.409 896 E HA 0.211 4.564 4.350 0.004 0.000 0.259 896 E C -2.008 174.619 176.600 0.046 0.000 0.932 896 E CA -2.047 54.378 56.400 0.041 0.000 0.809 896 E CB 1.519 31.241 29.700 0.037 0.000 1.341 896 E HN -0.093 nan 8.360 nan 0.000 0.405 897 P HA -0.147 nan 4.420 nan 0.000 0.215 897 P C 0.697 178.030 177.300 0.055 0.000 1.157 897 P CA 1.154 64.285 63.100 0.051 0.000 0.874 897 P CB 0.508 32.238 31.700 0.050 0.000 0.790 898 D N -0.690 119.737 120.400 0.045 0.000 2.117 898 D HA -0.118 4.524 4.640 0.004 0.000 0.198 898 D C 1.801 178.124 176.300 0.039 0.000 0.982 898 D CA 1.115 55.139 54.000 0.040 0.000 0.828 898 D CB -0.399 40.417 40.800 0.026 0.000 0.967 898 D HN 0.231 nan 8.370 nan 0.000 0.464 899 K N 0.770 121.193 120.400 0.037 0.000 2.147 899 K HA -0.059 4.263 4.320 0.004 0.000 0.205 899 K C 2.133 178.761 176.600 0.046 0.000 1.049 899 K CA 0.926 57.233 56.287 0.033 0.000 0.936 899 K CB -0.067 32.452 32.500 0.032 0.000 0.722 899 K HN 0.007 nan 8.250 nan 0.000 0.446 900 A N 0.999 123.861 122.820 0.070 0.000 1.927 900 A HA -0.189 4.134 4.320 0.004 0.000 0.220 900 A C 2.305 179.965 177.584 0.126 0.000 1.185 900 A CA 1.929 54.032 52.037 0.111 0.000 0.639 900 A CB -0.695 18.387 19.000 0.138 0.000 0.820 900 A HN 0.109 nan 8.150 nan 0.000 0.451 901 V N -0.418 119.562 119.914 0.109 0.000 2.488 901 V HA -0.142 3.980 4.120 0.004 0.000 0.246 901 V C 2.398 178.497 176.094 0.008 0.000 1.046 901 V CA 2.066 64.421 62.300 0.092 0.000 1.053 901 V CB -0.592 31.288 31.823 0.095 0.000 0.679 901 V HN 0.680 nan 8.190 nan 0.000 0.458 902 K N 0.381 120.785 120.400 0.007 0.000 2.217 902 K HA -0.110 4.212 4.320 0.004 0.000 0.202 902 K C 2.125 178.707 176.600 -0.031 0.000 1.051 902 K CA 1.125 57.401 56.287 -0.018 0.000 0.952 902 K CB 0.000 32.490 32.500 -0.016 0.000 0.736 902 K HN 0.362 nan 8.250 nan 0.000 0.453 903 K N -0.116 120.270 120.400 -0.025 0.000 2.116 903 K HA -0.023 4.300 4.320 0.004 0.000 0.203 903 K C 1.800 178.346 176.600 -0.090 0.000 1.052 903 K CA 0.961 57.228 56.287 -0.034 0.000 0.952 903 K CB 0.290 32.788 32.500 -0.003 0.000 0.729 903 K HN -0.020 nan 8.250 nan 0.000 0.446 904 V N 1.220 121.047 119.914 -0.146 0.000 2.591 904 V HA -0.147 3.975 4.120 0.004 0.000 0.249 904 V C 2.082 178.054 176.094 -0.203 0.000 1.053 904 V CA 1.459 63.600 62.300 -0.265 0.000 1.068 904 V CB -0.227 31.268 31.823 -0.546 0.000 0.689 904 V HN 0.331 nan 8.190 nan 0.000 0.462 905 E N -0.177 119.941 120.200 -0.137 0.000 2.152 905 E HA -0.188 4.164 4.350 0.004 0.000 0.192 905 E C 2.279 178.849 176.600 -0.050 0.000 0.983 905 E CA 0.685 57.036 56.400 -0.081 0.000 0.818 905 E CB 0.114 29.789 29.700 -0.042 0.000 0.758 905 E HN 0.479 nan 8.360 nan 0.000 0.467 906 E N 0.685 120.854 120.200 -0.050 0.000 2.112 906 E HA -0.104 4.249 4.350 0.004 0.000 0.190 906 E C 1.652 178.244 176.600 -0.012 0.000 0.979 906 E CA 0.438 56.824 56.400 -0.024 0.000 0.814 906 E CB -0.029 29.661 29.700 -0.016 0.000 0.762 906 E HN 0.207 nan 8.360 nan 0.000 0.460 907 N N 0.787 119.452 118.700 -0.060 0.000 2.443 907 N HA -0.122 4.620 4.740 0.004 0.000 0.184 907 N C 1.851 177.398 175.510 0.063 0.000 1.037 907 N CA 0.436 53.427 53.050 -0.099 0.000 0.896 907 N CB -0.119 38.137 38.487 -0.386 0.000 0.959 907 N HN 0.225 nan 8.380 nan 0.000 0.442 908 L N -0.083 121.151 121.223 0.018 0.000 2.270 908 L HA -0.038 4.304 4.340 0.004 0.000 0.210 908 L C 0.391 177.277 176.870 0.027 0.000 1.104 908 L CA 0.365 55.220 54.840 0.024 0.000 0.804 908 L CB 0.097 42.121 42.059 -0.057 0.000 0.937 908 L HN 0.032 nan 8.230 nan 0.000 0.450 909 Q N -1.001 118.812 119.800 0.022 0.000 2.494 909 Q HA -0.232 4.110 4.340 0.004 0.000 0.266 909 Q C 0.963 176.950 176.000 -0.022 0.000 1.053 909 Q CA 0.541 56.331 55.803 -0.022 0.000 1.029 909 Q CB -2.078 26.645 28.738 -0.025 0.000 1.423 909 Q HN 0.418 nan 8.270 nan 0.000 0.516 910 L N -2.368 118.852 121.223 -0.006 0.000 2.189 910 L HA -0.169 4.173 4.340 0.004 0.000 0.214 910 L C 2.193 179.101 176.870 0.062 0.000 1.097 910 L CA 1.573 56.418 54.840 0.008 0.000 0.764 910 L CB -0.448 41.637 42.059 0.043 0.000 0.900 910 L HN 0.490 nan 8.230 nan 0.000 0.436 911 G N 0.417 109.263 108.800 0.076 0.000 2.433 911 G HA2 -0.116 3.846 3.960 0.004 0.000 0.216 911 G HA3 -0.116 3.846 3.960 0.004 0.000 0.216 911 G C 0.925 175.862 174.900 0.062 0.000 1.186 911 G CA 0.091 45.243 45.100 0.087 0.000 0.779 911 G HN 0.113 nan 8.290 nan 0.000 0.543 912 L N 0.968 122.209 121.223 0.030 0.000 2.506 912 L HA 0.122 4.465 4.340 0.004 0.000 0.281 912 L C 1.204 178.093 176.870 0.033 0.000 1.228 912 L CA -0.174 54.682 54.840 0.026 0.000 0.850 912 L CB 0.260 42.329 42.059 0.017 0.000 1.110 912 L HN 0.113 nan 8.230 nan 0.000 0.496 913 T N 0.155 114.728 114.554 0.033 0.000 2.898 913 T HA 0.004 4.356 4.350 0.004 0.000 0.301 913 T C 0.936 175.643 174.700 0.011 0.000 1.049 913 T CA -0.547 61.568 62.100 0.025 0.000 1.095 913 T CB 0.617 69.498 68.868 0.022 0.000 0.976 913 T HN 0.609 nan 8.240 nan 0.000 0.539 914 D N 2.821 123.216 120.400 -0.008 0.000 2.133 914 D HA -0.103 4.539 4.640 0.004 0.000 0.195 914 D C 1.931 178.231 176.300 -0.000 0.000 0.997 914 D CA 1.545 55.537 54.000 -0.014 0.000 0.840 914 D CB -0.134 40.643 40.800 -0.039 0.000 0.947 914 D HN 0.686 nan 8.370 nan 0.000 0.452 915 E N 0.633 120.828 120.200 -0.009 0.000 2.110 915 E HA -0.147 4.205 4.350 0.004 0.000 0.193 915 E C 1.959 178.555 176.600 -0.008 0.000 0.988 915 E CA 0.973 57.361 56.400 -0.020 0.000 0.804 915 E CB -0.164 29.525 29.700 -0.018 0.000 0.745 915 E HN 0.440 nan 8.360 nan 0.000 0.458 916 E N 0.008 120.218 120.200 0.016 0.000 2.152 916 E HA -0.046 4.306 4.350 0.004 0.000 0.192 916 E C 1.950 178.603 176.600 0.088 0.000 0.983 916 E CA 0.784 57.208 56.400 0.040 0.000 0.818 916 E CB -0.043 29.681 29.700 0.039 0.000 0.758 916 E HN 0.283 nan 8.360 nan 0.000 0.467 917 A N 0.684 123.562 122.820 0.098 0.000 1.929 917 A HA -0.089 4.233 4.320 0.004 0.000 0.216 917 A C 2.401 180.140 177.584 0.259 0.000 1.176 917 A CA 0.815 52.975 52.037 0.205 0.000 0.628 917 A CB -0.368 18.724 19.000 0.155 0.000 0.816 917 A HN 0.109 nan 8.150 nan 0.000 0.444 918 V N -0.249 119.732 119.914 0.111 0.000 2.548 918 V HA -0.260 3.862 4.120 0.004 0.000 0.249 918 V C 2.554 178.592 176.094 -0.093 0.000 1.055 918 V CA 2.107 64.392 62.300 -0.026 0.000 1.065 918 V CB -0.799 30.895 31.823 -0.214 0.000 0.681 918 V HN 0.615 nan 8.190 nan 0.000 0.462 919 Q N -0.671 119.109 119.800 -0.032 0.000 2.167 919 Q HA -0.218 4.124 4.340 0.004 0.000 0.202 919 Q C 2.182 178.190 176.000 0.014 0.000 0.970 919 Q CA 1.871 57.656 55.803 -0.031 0.000 0.855 919 Q CB -0.224 28.512 28.738 -0.003 0.000 0.911 919 Q HN 0.876 nan 8.270 nan 0.000 0.438 920 H N -0.320 118.748 119.070 -0.003 0.000 2.395 920 H HA -0.083 4.475 4.556 0.004 0.000 0.299 920 H C 1.699 176.997 175.328 -0.051 0.000 1.070 920 H CA 1.161 57.213 56.048 0.006 0.000 1.356 920 H CB 0.081 29.881 29.762 0.065 0.000 1.401 920 H HN 0.201 nan 8.280 nan 0.000 0.524 921 L N 0.418 121.566 121.223 -0.126 0.000 2.179 921 L HA -0.022 4.320 4.340 0.004 0.000 0.208 921 L C 2.474 179.236 176.870 -0.180 0.000 1.096 921 L CA 1.599 56.261 54.840 -0.296 0.000 0.779 921 L CB -0.735 41.174 42.059 -0.250 0.000 0.922 921 L HN 0.461 nan 8.230 nan 0.000 0.443 922 Q N -1.331 118.445 119.800 -0.039 0.000 2.124 922 Q HA -0.210 4.132 4.340 0.004 0.000 0.202 922 Q C 2.260 178.238 176.000 -0.036 0.000 0.977 922 Q CA 1.774 57.608 55.803 0.052 0.000 0.850 922 Q CB -0.070 28.656 28.738 -0.021 0.000 0.901 922 Q HN 0.583 nan 8.270 nan 0.000 0.429 923 S N -0.068 115.564 115.700 -0.113 0.000 2.368 923 S HA -0.067 4.405 4.470 0.004 0.000 0.224 923 S C 1.944 176.461 174.600 -0.138 0.000 1.029 923 S CA 0.758 58.893 58.200 -0.109 0.000 0.988 923 S CB -0.182 62.942 63.200 -0.126 0.000 0.838 923 S HN 0.478 nan 8.310 nan 0.000 0.462 924 L N 0.888 121.959 121.223 -0.254 0.000 2.093 924 L HA 0.006 4.348 4.340 0.004 0.000 0.208 924 L C 2.401 179.175 176.870 -0.159 0.000 1.085 924 L CA 0.858 55.545 54.840 -0.256 0.000 0.755 924 L CB -0.428 41.360 42.059 -0.452 0.000 0.904 924 L HN 0.353 nan 8.230 nan 0.000 0.435 925 L N -0.632 120.509 121.223 -0.136 0.000 2.141 925 L HA -0.192 4.150 4.340 0.004 0.000 0.209 925 L C 2.052 178.935 176.870 0.022 0.000 1.094 925 L CA 0.970 55.782 54.840 -0.047 0.000 0.763 925 L CB -0.450 41.587 42.059 -0.037 0.000 0.908 925 L HN 0.266 nan 8.230 nan 0.000 0.437 926 D N -0.426 119.984 120.400 0.016 0.000 2.149 926 D HA -0.120 4.522 4.640 0.004 0.000 0.201 926 D C 2.203 178.523 176.300 0.034 0.000 0.972 926 D CA 1.397 55.425 54.000 0.048 0.000 0.835 926 D CB 0.124 40.950 40.800 0.042 0.000 0.966 926 D HN 0.267 nan 8.370 nan 0.000 0.476 927 V N -1.753 118.165 119.914 0.007 0.000 2.548 927 V HA -0.068 4.054 4.120 0.004 0.000 0.249 927 V C 2.203 178.307 176.094 0.017 0.000 1.055 927 V CA 1.387 63.692 62.300 0.008 0.000 1.065 927 V CB -0.550 31.271 31.823 -0.004 0.000 0.681 927 V HN -0.056 nan 8.190 nan 0.000 0.462 928 S N 0.671 116.382 115.700 0.018 0.000 2.387 928 S HA 0.143 4.616 4.470 0.004 0.000 0.226 928 S C 1.849 176.479 174.600 0.050 0.000 1.026 928 S CA 1.794 60.013 58.200 0.031 0.000 0.972 928 S CB -0.358 62.858 63.200 0.028 0.000 0.814 928 S HN 0.621 nan 8.310 nan 0.000 0.477 929 I N 1.746 122.357 120.570 0.069 0.000 2.500 929 I HA -0.120 4.052 4.170 0.004 0.000 0.252 929 I C 2.483 178.634 176.117 0.057 0.000 1.142 929 I CA 1.263 62.616 61.300 0.088 0.000 1.451 929 I CB -0.754 37.334 38.000 0.148 0.000 1.093 929 I HN 0.380 nan 8.210 nan 0.000 0.430 930 T N -0.330 114.250 114.554 0.044 0.000 2.867 930 T HA -0.018 4.334 4.350 0.004 0.000 0.268 930 T C 1.979 176.688 174.700 0.015 0.000 1.057 930 T CA 0.971 63.085 62.100 0.025 0.000 1.136 930 T CB -0.309 68.571 68.868 0.019 0.000 0.874 930 T HN 0.351 nan 8.240 nan 0.000 0.466 931 A N 0.843 123.675 122.820 0.019 0.000 1.970 931 A HA 0.239 4.561 4.320 0.004 0.000 0.216 931 A C 2.509 180.105 177.584 0.020 0.000 1.170 931 A CA 0.667 52.713 52.037 0.015 0.000 0.645 931 A CB -0.756 18.255 19.000 0.018 0.000 0.816 931 A HN 0.362 nan 8.150 nan 0.000 0.447 932 V N 0.305 120.236 119.914 0.027 0.000 2.548 932 V HA -0.051 4.072 4.120 0.004 0.000 0.249 932 V C 0.771 176.879 176.094 0.023 0.000 1.055 932 V CA 0.888 63.205 62.300 0.028 0.000 1.065 932 V CB -0.465 31.381 31.823 0.037 0.000 0.681 932 V HN 0.447 nan 8.190 nan 0.000 0.462 933 M N 1.005 120.618 119.600 0.022 0.000 2.188 933 M HA 0.302 4.784 4.480 0.004 0.000 0.357 933 M C -1.487 174.818 176.300 0.009 0.000 1.204 933 M CA -2.860 52.449 55.300 0.015 0.000 1.095 933 M CB 0.636 33.245 32.600 0.014 0.000 1.604 933 M HN -0.053 nan 8.290 nan 0.000 0.464 934 P HA -0.013 nan 4.420 nan 0.000 0.220 934 P C 1.055 178.358 177.300 0.005 0.000 1.152 934 P CA 1.257 64.363 63.100 0.010 0.000 0.812 934 P CB 0.094 31.798 31.700 0.007 0.000 0.792 935 A N 0.166 122.983 122.820 -0.005 0.000 1.972 935 A HA -0.103 4.219 4.320 0.004 0.000 0.219 935 A C 2.354 179.917 177.584 -0.035 0.000 1.169 935 A CA 1.239 53.266 52.037 -0.017 0.000 0.635 935 A CB -1.537 17.454 19.000 -0.016 0.000 0.810 935 A HN 0.135 nan 8.150 nan 0.000 0.446 936 L N -0.473 120.733 121.223 -0.030 0.000 2.179 936 L HA -0.093 4.250 4.340 0.004 0.000 0.208 936 L C 2.367 179.194 176.870 -0.072 0.000 1.096 936 L CA 0.727 55.540 54.840 -0.046 0.000 0.779 936 L CB -0.393 41.656 42.059 -0.017 0.000 0.922 936 L HN 0.260 nan 8.230 nan 0.000 0.443 937 V N -0.486 119.402 119.914 -0.042 0.000 2.515 937 V HA -0.213 3.909 4.120 0.004 0.000 0.250 937 V C 2.153 178.226 176.094 -0.036 0.000 1.058 937 V CA 1.518 63.784 62.300 -0.057 0.000 1.064 937 V CB -0.544 31.289 31.823 0.017 0.000 0.675 937 V HN 0.443 nan 8.190 nan 0.000 0.461 938 E N -0.080 120.129 120.200 0.015 0.000 2.112 938 E HA -0.209 4.143 4.350 0.004 0.000 0.190 938 E C 2.302 178.841 176.600 -0.101 0.000 0.979 938 E CA 0.874 57.305 56.400 0.051 0.000 0.814 938 E CB -0.115 29.592 29.700 0.013 0.000 0.762 938 E HN 0.617 nan 8.360 nan 0.000 0.460 939 Q N 0.648 120.313 119.800 -0.226 0.000 2.124 939 Q HA -0.170 4.172 4.340 0.004 0.000 0.202 939 Q C 2.140 177.643 176.000 -0.829 0.000 0.977 939 Q CA 1.101 56.591 55.803 -0.523 0.000 0.850 939 Q CB 0.067 28.553 28.738 -0.420 0.000 0.901 939 Q HN 0.320 nan 8.270 nan 0.000 0.429 940 I N -0.086 120.217 120.570 -0.445 0.000 2.394 940 I HA -0.261 3.912 4.170 0.004 0.000 0.251 940 I C 2.054 178.054 176.117 -0.195 0.000 1.136 940 I CA 0.885 62.014 61.300 -0.285 0.000 1.425 940 I CB -0.428 37.462 38.000 -0.183 0.000 1.079 940 I HN 0.353 nan 8.210 nan 0.000 0.425 941 H N 0.993 119.995 119.070 -0.113 0.000 2.389 941 H HA -0.005 4.553 4.556 0.004 0.000 0.299 941 H C 2.286 177.606 175.328 -0.014 0.000 1.081 941 H CA 1.039 57.068 56.048 -0.032 0.000 1.345 941 H CB 0.029 29.770 29.762 -0.033 0.000 1.393 941 H HN 0.303 nan 8.280 nan 0.000 0.520 942 R N -0.140 120.364 120.500 0.007 0.000 2.115 942 R HA -0.059 4.284 4.340 0.004 0.000 0.230 942 R C 2.267 178.685 176.300 0.196 0.000 1.111 942 R CA 0.787 56.906 56.100 0.032 0.000 0.976 942 R CB -0.303 29.947 30.300 -0.083 0.000 0.870 942 R HN 0.328 nan 8.270 nan 0.000 0.445 943 F N 0.071 120.080 119.950 0.099 0.000 2.259 943 F HA -0.104 4.425 4.527 0.004 0.000 0.298 943 F C 2.419 178.342 175.800 0.206 0.000 1.088 943 F CA 0.508 58.567 58.000 0.097 0.000 1.358 943 F CB -0.087 38.946 39.000 0.055 0.000 1.040 943 F HN -0.014 nan 8.300 nan 0.000 0.505 944 T N -0.815 113.951 114.554 0.354 0.000 2.867 944 T HA -0.220 4.133 4.350 0.004 0.000 0.268 944 T C 1.736 176.620 174.700 0.308 0.000 1.057 944 T CA 1.158 63.442 62.100 0.307 0.000 1.136 944 T CB -0.185 68.812 68.868 0.215 0.000 0.874 944 T HN 0.144 nan 8.240 nan 0.000 0.466 945 Q N -0.233 119.726 119.800 0.265 0.000 2.137 945 Q HA -0.007 4.336 4.340 0.004 0.000 0.198 945 Q C 1.788 177.901 176.000 0.188 0.000 0.960 945 Q CA 1.078 56.998 55.803 0.195 0.000 0.847 945 Q CB -0.436 28.390 28.738 0.147 0.000 0.915 945 Q HN 0.634 nan 8.270 nan 0.000 0.448 946 Y N -0.988 119.352 120.300 0.068 0.000 2.139 946 Y HA -0.307 4.245 4.550 0.004 0.000 0.282 946 Y C 1.256 177.047 175.900 -0.182 0.000 1.179 946 Y CA 2.274 60.314 58.100 -0.099 0.000 1.161 946 Y CB -0.239 38.102 38.460 -0.197 0.000 0.970 946 Y HN 0.248 nan 8.280 nan 0.000 0.511 947 W N -0.278 121.148 121.300 0.210 0.000 2.481 947 W HA 0.087 4.750 4.660 0.004 0.000 0.293 947 W C 1.617 178.158 176.519 0.036 0.000 1.201 947 W CA 0.949 58.361 57.345 0.113 0.000 1.328 947 W CB 0.071 29.617 29.460 0.144 0.000 1.112 947 W HN -0.231 nan 8.180 nan 0.000 0.546 948 R N 0.000 120.660 120.500 0.267 0.000 2.786 948 R HA 0.000 4.342 4.340 0.004 0.000 0.208 948 R CA 0.000 56.200 56.100 0.167 0.000 0.921 948 R CB 0.000 30.400 30.300 0.167 0.000 0.687 948 R HN 0.000 nan 8.270 nan 0.000 0.535