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 3inv_1_B DATA FIRST_RESID 3 DATA SEQUENCE LFKIRMPETV AEGTRLALRA FSLVVAVDEH GGIGDGRSIP WNVPEDMKFF DATA SEQUENCE RDLTTKLRGK NVKPSPAKRN AVVMGRKTWD SIPPKFRPLP GRLNVVLSST DATA SEQUENCE LTTQHLLDGL PDEEKRNLHA DSIVAVNGGL EQALRLLASP NYTPSIETVY DATA SEQUENCE CIGGGSVYAE ALRPPCVHLL QAIYRTTIRA SESSCSVFFR VPESGTEAAA DATA SEQUENCE GIEWQRETIS EELTSANGNE TKYYFEKLIP RNREEEQYLS LVDRIIREGN DATA SEQUENCE VKHDRTGVGT LSIFGAQMRF SLRNNRLPLL TTKRVFWRGV CEELLWFLRG DATA SEQUENCE ETYAKKLSDK GVHIWDDNGS RAFLDSRGLT EYEEMDLGPV YGFQWRHFGA DATA SEQUENCE AYTHHDANYD GQGVDQIKAI VETLKTNPDD RRMLFTAWNP SALPRMALPP DATA SEQUENCE CHLLAQFYVS NGELSCMLYQ RSCDMGLGVP FNIASYALLT ILIAKATGLR DATA SEQUENCE PGELVHTLGD AHVYSNHVEP CNEQLKRVPR AFPYLVFRRE REFLEDYEEG DATA SEQUENCE DMEVIDYAPY PPI 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.771 176.870 -0.165 0.000 1.165 3 L CA 0.000 54.800 54.840 -0.067 0.000 0.813 3 L CB 0.000 42.100 42.059 0.069 0.000 0.961 4 F N 1.757 121.683 119.950 -0.041 0.000 2.664 4 F HA 0.420 4.948 4.527 0.001 0.000 0.303 4 F C 0.837 176.627 175.800 -0.017 0.000 1.092 4 F CA -0.288 57.706 58.000 -0.010 0.000 1.305 4 F CB 0.054 39.061 39.000 0.012 0.000 1.054 4 F HN -0.084 nan 8.300 nan 0.000 0.565 5 K N 0.337 120.785 120.400 0.081 0.000 2.148 5 K HA 0.574 4.894 4.320 0.001 0.000 0.239 5 K C -0.388 176.316 176.600 0.174 0.000 1.018 5 K CA -0.618 55.703 56.287 0.057 0.000 0.923 5 K CB 1.289 33.666 32.500 -0.206 0.000 1.117 5 K HN -0.087 nan 8.250 nan 0.000 0.477 6 I N 1.706 122.430 120.570 0.257 0.000 2.354 6 I HA 0.244 4.414 4.170 0.001 0.000 0.286 6 I C -0.025 176.267 176.117 0.292 0.000 1.007 6 I CA -0.630 60.802 61.300 0.220 0.000 1.167 6 I CB 1.421 39.485 38.000 0.108 0.000 1.320 6 I HN 0.405 nan 8.210 nan 0.000 0.458 7 R N 7.067 127.677 120.500 0.183 0.000 2.347 7 R HA 0.306 4.646 4.340 0.001 0.000 0.304 7 R C -0.239 175.999 176.300 -0.103 0.000 1.072 7 R CA -0.629 55.407 56.100 -0.106 0.000 0.980 7 R CB 0.608 30.821 30.300 -0.146 0.000 0.986 7 R HN 0.470 nan 8.270 nan 0.000 0.448 8 M N 6.307 125.824 119.600 -0.139 0.000 2.243 8 M HA 0.190 4.671 4.480 0.001 0.000 0.341 8 M C -1.704 174.536 176.300 -0.100 0.000 1.130 8 M CA -2.202 53.052 55.300 -0.076 0.000 1.162 8 M CB 0.183 32.770 32.600 -0.023 0.000 1.497 8 M HN 0.562 nan 8.290 nan 0.000 0.456 9 P HA 0.135 nan 4.420 nan 0.000 0.302 9 P C 0.017 177.276 177.300 -0.069 0.000 1.301 9 P CA -0.009 63.047 63.100 -0.073 0.000 0.745 9 P CB 0.718 32.380 31.700 -0.064 0.000 1.331 10 E N -0.998 119.167 120.200 -0.058 0.000 2.479 10 E HA 0.008 4.358 4.350 0.001 0.000 0.193 10 E C 1.222 177.797 176.600 -0.042 0.000 1.049 10 E CA 0.646 57.017 56.400 -0.050 0.000 0.870 10 E CB -0.652 29.022 29.700 -0.043 0.000 0.944 10 E HN 0.542 nan 8.360 nan 0.000 0.492 11 T N -2.212 112.315 114.554 -0.046 0.000 3.206 11 T HA 0.117 4.468 4.350 0.001 0.000 0.253 11 T C 1.821 176.489 174.700 -0.054 0.000 1.042 11 T CA 0.064 62.139 62.100 -0.043 0.000 0.931 11 T CB -0.303 68.540 68.868 -0.043 0.000 1.029 11 T HN -0.133 nan 8.240 nan 0.000 0.564 12 V N 1.946 121.825 119.914 -0.058 0.000 2.222 12 V HA -0.268 3.852 4.120 0.001 0.000 0.252 12 V C 3.101 179.139 176.094 -0.094 0.000 1.060 12 V CA 2.266 64.521 62.300 -0.075 0.000 1.027 12 V CB -1.716 30.083 31.823 -0.040 0.000 0.644 12 V HN 0.678 nan 8.190 nan 0.000 0.448 13 A N -0.540 122.249 122.820 -0.051 0.000 1.975 13 A HA -0.082 4.239 4.320 0.001 0.000 0.215 13 A C 2.070 179.643 177.584 -0.018 0.000 1.170 13 A CA 1.300 53.318 52.037 -0.031 0.000 0.656 13 A CB -0.450 18.557 19.000 0.012 0.000 0.821 13 A HN 0.600 nan 8.150 nan 0.000 0.449 14 E N 0.088 120.277 120.200 -0.018 0.000 2.058 14 E HA -0.102 4.249 4.350 0.001 0.000 0.194 14 E C 2.080 178.677 176.600 -0.007 0.000 0.997 14 E CA 1.303 57.699 56.400 -0.007 0.000 0.801 14 E CB -0.634 29.061 29.700 -0.010 0.000 0.746 14 E HN 0.535 nan 8.360 nan 0.000 0.450 15 G N 0.197 108.982 108.800 -0.025 0.000 2.469 15 G HA2 -0.298 3.662 3.960 0.001 0.000 0.220 15 G HA3 -0.298 3.662 3.960 0.001 0.000 0.220 15 G C 1.499 176.398 174.900 -0.002 0.000 1.136 15 G CA 1.679 46.767 45.100 -0.021 0.000 0.759 15 G HN 0.443 nan 8.290 nan 0.000 0.562 16 T N -2.761 111.790 114.554 -0.005 0.000 3.266 16 T HA 0.399 4.749 4.350 0.001 0.000 0.278 16 T C 0.567 175.317 174.700 0.084 0.000 1.010 16 T CA -0.617 61.512 62.100 0.049 0.000 0.909 16 T CB 0.240 69.145 68.868 0.061 0.000 1.122 16 T HN 0.194 nan 8.240 nan 0.000 0.536 17 R N 1.413 121.947 120.500 0.057 0.000 2.316 17 R HA 0.384 4.724 4.340 0.001 0.000 0.314 17 R C -0.320 176.016 176.300 0.060 0.000 1.069 17 R CA -0.768 55.369 56.100 0.061 0.000 0.959 17 R CB 0.151 30.475 30.300 0.041 0.000 0.987 17 R HN 0.293 nan 8.270 nan 0.000 0.446 18 L N 5.114 126.374 121.223 0.062 0.000 2.534 18 L HA 0.073 4.414 4.340 0.001 0.000 0.271 18 L C 0.792 177.677 176.870 0.026 0.000 1.178 18 L CA 0.796 55.660 54.840 0.040 0.000 0.907 18 L CB 1.018 43.090 42.059 0.022 0.000 1.164 18 L HN 0.894 nan 8.230 nan 0.000 0.482 19 A N 5.445 128.280 122.820 0.024 0.000 1.855 19 A HA 0.258 4.578 4.320 0.001 0.000 0.213 19 A C 0.281 177.870 177.584 0.009 0.000 1.195 19 A CA 0.862 52.912 52.037 0.023 0.000 0.610 19 A CB -0.161 18.860 19.000 0.035 0.000 0.837 19 A HN 0.546 nan 8.150 nan 0.000 0.444 20 L N -1.355 119.865 121.223 -0.006 0.000 2.422 20 L HA 0.578 4.918 4.340 0.001 0.000 0.264 20 L C -0.230 176.599 176.870 -0.067 0.000 0.984 20 L CA -0.669 54.160 54.840 -0.019 0.000 0.819 20 L CB 1.890 43.956 42.059 0.012 0.000 1.330 20 L HN 0.239 nan 8.230 nan 0.000 0.410 21 R N 1.878 122.342 120.500 -0.061 0.000 2.441 21 R HA 0.779 5.120 4.340 0.001 0.000 0.284 21 R C -0.225 176.058 176.300 -0.028 0.000 1.070 21 R CA 0.018 56.065 56.100 -0.089 0.000 1.047 21 R CB 1.044 31.316 30.300 -0.046 0.000 1.016 21 R HN 0.799 nan 8.270 nan 0.000 0.477 22 A N 3.797 126.549 122.820 -0.114 0.000 2.386 22 A HA 0.502 4.822 4.320 0.001 0.000 0.246 22 A C -0.519 177.212 177.584 0.244 0.000 1.089 22 A CA 0.201 52.271 52.037 0.055 0.000 0.790 22 A CB -0.164 18.820 19.000 -0.026 0.000 1.042 22 A HN 0.763 nan 8.150 nan 0.000 0.497 23 F N -2.012 117.938 119.950 0.001 0.000 2.773 23 F HA 0.723 5.250 4.527 0.000 0.000 0.314 23 F C -0.427 175.385 175.800 0.020 0.000 1.160 23 F CA -0.740 57.242 58.000 -0.030 0.000 0.920 23 F CB 0.844 39.838 39.000 -0.010 0.000 1.323 23 F HN 0.449 nan 8.300 nan 0.000 0.457 24 S N 1.148 116.797 115.700 -0.086 0.000 2.689 24 S HA 0.798 5.268 4.470 0.001 0.000 0.306 24 S C -1.577 173.176 174.600 0.255 0.000 1.104 24 S CA -0.869 57.317 58.200 -0.023 0.000 0.973 24 S CB 1.958 65.216 63.200 0.097 0.000 1.121 24 S HN 0.803 nan 8.310 nan 0.000 0.523 25 L N 1.778 123.190 121.223 0.315 0.000 2.408 25 L HA 0.762 5.102 4.340 0.001 0.000 0.268 25 L C -1.723 175.381 176.870 0.391 0.000 0.986 25 L CA -0.574 54.492 54.840 0.377 0.000 0.820 25 L CB 1.474 43.683 42.059 0.249 0.000 1.303 25 L HN 0.453 nan 8.230 nan 0.000 0.411 26 V N 4.823 124.964 119.914 0.379 0.000 2.628 26 V HA 0.803 4.923 4.120 0.001 0.000 0.306 26 V C -0.623 175.567 176.094 0.160 0.000 1.045 26 V CA -0.663 61.824 62.300 0.311 0.000 0.905 26 V CB 1.864 33.883 31.823 0.328 0.000 0.997 26 V HN 0.564 nan 8.190 nan 0.000 0.436 27 V N 2.445 122.369 119.914 0.017 0.000 3.167 27 V HA 0.893 5.014 4.120 0.001 0.000 0.293 27 V C -1.104 174.955 176.094 -0.058 0.000 1.379 27 V CA 0.060 62.246 62.300 -0.189 0.000 1.019 27 V CB 2.320 33.536 31.823 -1.012 0.000 1.115 27 V HN 1.392 nan 8.190 nan 0.000 0.442 28 A N 4.065 126.902 122.820 0.029 0.000 2.350 28 A HA 0.967 5.287 4.320 0.001 0.000 0.324 28 A C -1.204 176.477 177.584 0.161 0.000 1.118 28 A CA -0.503 51.609 52.037 0.125 0.000 0.783 28 A CB 1.905 21.106 19.000 0.335 0.000 1.236 28 A HN 1.629 nan 8.150 nan 0.000 0.457 29 V N 2.249 122.134 119.914 -0.049 0.000 3.012 29 V HA 0.491 4.612 4.120 0.001 0.000 0.307 29 V C -1.377 174.505 176.094 -0.354 0.000 1.166 29 V CA -0.591 61.687 62.300 -0.036 0.000 0.974 29 V CB 2.333 34.174 31.823 0.031 0.000 1.040 29 V HN 1.171 nan 8.190 nan 0.000 0.428 30 D N 2.560 122.794 120.400 -0.277 0.000 2.451 30 D HA 0.198 4.838 4.640 0.001 0.000 0.259 30 D C 0.653 176.830 176.300 -0.204 0.000 1.201 30 D CA -0.374 53.406 54.000 -0.366 0.000 1.028 30 D CB 0.794 41.478 40.800 -0.193 0.000 1.095 30 D HN 0.578 nan 8.370 nan 0.000 0.539 31 E N -1.523 118.511 120.200 -0.277 0.000 2.501 31 E HA -0.175 4.175 4.350 0.001 0.000 0.203 31 E C 0.468 176.844 176.600 -0.374 0.000 1.072 31 E CA 0.790 56.993 56.400 -0.329 0.000 0.885 31 E CB -0.076 29.372 29.700 -0.419 0.000 0.813 31 E HN 0.390 nan 8.360 nan 0.000 0.556 32 H N -1.875 117.247 119.070 0.086 0.000 2.923 32 H HA 0.227 4.784 4.556 0.001 0.000 0.268 32 H C 1.247 176.741 175.328 0.277 0.000 1.148 32 H CA 0.620 56.767 56.048 0.166 0.000 1.146 32 H CB 1.439 31.336 29.762 0.224 0.000 1.607 32 H HN 0.255 nan 8.280 nan 0.000 0.566 33 G N 0.977 109.962 108.800 0.308 0.000 2.157 33 G HA2 -0.233 3.727 3.960 0.001 0.000 0.248 33 G HA3 -0.233 3.727 3.960 0.001 0.000 0.248 33 G C 0.789 175.968 174.900 0.465 0.000 0.979 33 G CA 0.080 45.402 45.100 0.370 0.000 0.650 33 G HN 0.673 nan 8.290 nan 0.000 0.529 34 G N -0.171 108.819 108.800 0.317 0.000 2.432 34 G HA2 0.631 4.591 3.960 0.001 0.000 0.257 34 G HA3 0.631 4.591 3.960 0.001 0.000 0.257 34 G C 1.076 176.078 174.900 0.170 0.000 1.238 34 G CA -0.049 45.017 45.100 -0.057 0.000 0.838 34 G HN 1.253 nan 8.290 nan 0.000 0.547 35 I N -0.603 119.990 120.570 0.038 0.000 4.526 35 I HA 0.587 4.758 4.170 0.001 0.000 0.330 35 I C 0.603 176.631 176.117 -0.148 0.000 1.323 35 I CA -0.027 61.343 61.300 0.116 0.000 1.218 35 I CB 0.813 38.915 38.000 0.171 0.000 1.233 35 I HN 0.719 nan 8.210 nan 0.000 0.430 36 G N 1.854 110.539 108.800 -0.192 0.000 2.328 36 G HA2 0.200 4.160 3.960 0.001 0.000 0.295 36 G HA3 0.200 4.160 3.960 0.001 0.000 0.295 36 G C -1.353 173.430 174.900 -0.195 0.000 1.413 36 G CA 0.188 45.145 45.100 -0.238 0.000 0.817 36 G HN 0.210 nan 8.290 nan 0.000 0.546 37 D N -1.831 118.473 120.400 -0.159 0.000 2.349 37 D HA 0.411 5.051 4.640 0.001 0.000 0.214 37 D C 1.586 177.839 176.300 -0.079 0.000 1.063 37 D CA 1.024 54.957 54.000 -0.111 0.000 0.847 37 D CB 0.593 41.340 40.800 -0.088 0.000 0.933 37 D HN 1.833 nan 8.370 nan 0.000 0.513 38 G N 0.155 108.906 108.800 -0.083 0.000 2.278 38 G HA2 -0.256 3.705 3.960 0.001 0.000 0.210 38 G HA3 -0.256 3.705 3.960 0.001 0.000 0.210 38 G C 1.362 176.227 174.900 -0.058 0.000 1.000 38 G CA 0.013 45.081 45.100 -0.054 0.000 0.635 38 G HN 0.242 nan 8.290 nan 0.000 0.495 39 R N -0.294 120.161 120.500 -0.076 0.000 2.383 39 R HA 0.472 4.812 4.340 0.001 0.000 0.205 39 R C 0.730 176.966 176.300 -0.106 0.000 0.875 39 R CA 1.072 57.127 56.100 -0.076 0.000 1.039 39 R CB 0.918 31.180 30.300 -0.064 0.000 1.267 39 R HN 0.551 nan 8.270 nan 0.000 0.635 40 S N -0.360 115.257 115.700 -0.137 0.000 2.643 40 S HA 0.509 4.980 4.470 0.001 0.000 0.270 40 S C -1.452 172.985 174.600 -0.273 0.000 1.166 40 S CA -0.676 57.412 58.200 -0.187 0.000 0.815 40 S CB 1.238 64.340 63.200 -0.164 0.000 1.139 40 S HN 0.051 nan 8.310 nan 0.000 0.472 41 I N 3.401 123.743 120.570 -0.380 0.000 2.301 41 I HA 0.334 4.505 4.170 0.001 0.000 0.292 41 I C -1.457 174.290 176.117 -0.617 0.000 1.046 41 I CA -2.029 58.876 61.300 -0.658 0.000 1.282 41 I CB 1.723 39.224 38.000 -0.830 0.000 1.409 41 I HN 0.531 nan 8.210 nan 0.000 0.484 42 P HA -0.027 nan 4.420 nan 0.000 0.269 42 P C -1.145 176.150 177.300 -0.008 0.000 1.376 42 P CA 0.413 63.393 63.100 -0.201 0.000 0.775 42 P CB -0.509 31.157 31.700 -0.055 0.000 1.345 43 W N -1.756 119.501 121.300 -0.071 0.000 3.025 43 W HA 0.569 5.229 4.660 0.000 0.000 0.343 43 W C -1.699 174.768 176.519 -0.086 0.000 1.246 43 W CA -1.055 56.246 57.345 -0.073 0.000 1.178 43 W CB 0.095 29.508 29.460 -0.079 0.000 1.463 43 W HN -0.358 nan 8.180 nan 0.000 0.578 44 N N 1.451 120.300 118.700 0.247 0.000 2.581 44 N HA 0.410 5.150 4.740 0.001 0.000 0.279 44 N C -2.141 173.435 175.510 0.110 0.000 1.124 44 N CA -0.246 52.873 53.050 0.114 0.000 0.833 44 N CB 2.138 40.637 38.487 0.020 0.000 1.338 44 N HN 0.437 nan 8.380 nan 0.000 0.533 45 V N 6.000 125.981 119.914 0.112 0.000 2.327 45 V HA 0.310 4.430 4.120 0.001 0.000 0.272 45 V C -1.270 174.772 176.094 -0.086 0.000 1.019 45 V CA -1.249 61.012 62.300 -0.064 0.000 0.814 45 V CB 1.538 33.216 31.823 -0.241 0.000 1.040 45 V HN 0.475 nan 8.190 nan 0.000 0.440 46 P HA -0.184 nan 4.420 nan 0.000 0.218 46 P C 1.058 178.346 177.300 -0.020 0.000 1.146 46 P CA 1.295 64.374 63.100 -0.035 0.000 0.813 46 P CB 0.734 32.423 31.700 -0.018 0.000 0.778 47 E N 0.217 120.370 120.200 -0.078 0.000 2.077 47 E HA -0.186 4.164 4.350 0.001 0.000 0.193 47 E C 1.894 178.585 176.600 0.151 0.000 0.989 47 E CA 1.557 57.962 56.400 0.008 0.000 0.800 47 E CB -0.998 28.647 29.700 -0.092 0.000 0.746 47 E HN 0.347 nan 8.360 nan 0.000 0.452 48 D N -0.717 119.694 120.400 0.019 0.000 2.144 48 D HA -0.131 4.509 4.640 0.001 0.000 0.200 48 D C 1.726 178.197 176.300 0.285 0.000 0.978 48 D CA 0.930 55.092 54.000 0.270 0.000 0.833 48 D CB 0.093 40.940 40.800 0.080 0.000 0.961 48 D HN -0.014 nan 8.370 nan 0.000 0.470 49 M N 0.365 120.040 119.600 0.125 0.000 2.108 49 M HA -0.131 4.349 4.480 0.001 0.000 0.261 49 M C 2.187 178.563 176.300 0.126 0.000 1.066 49 M CA 1.311 56.663 55.300 0.088 0.000 1.107 49 M CB -0.775 31.812 32.600 -0.023 0.000 1.356 49 M HN 0.123 nan 8.290 nan 0.000 0.406 50 K N -0.466 119.999 120.400 0.109 0.000 2.057 50 K HA -0.190 4.131 4.320 0.001 0.000 0.206 50 K C 1.983 178.619 176.600 0.060 0.000 1.050 50 K CA 1.189 57.518 56.287 0.069 0.000 0.935 50 K CB -0.329 32.214 32.500 0.073 0.000 0.715 50 K HN 0.119 nan 8.250 nan 0.000 0.439 51 F N 1.121 121.068 119.950 -0.005 0.000 2.095 51 F HA -0.215 4.313 4.527 0.000 0.000 0.298 51 F C 1.841 177.571 175.800 -0.117 0.000 1.104 51 F CA 1.570 59.491 58.000 -0.131 0.000 1.232 51 F CB -0.650 38.207 39.000 -0.239 0.000 0.987 51 F HN 0.124 nan 8.300 nan 0.000 0.475 52 F N 1.029 120.835 119.950 -0.238 0.000 2.102 52 F HA -0.154 4.373 4.527 0.001 0.000 0.298 52 F C 2.604 178.173 175.800 -0.383 0.000 1.105 52 F CA 2.061 59.849 58.000 -0.353 0.000 1.239 52 F CB -0.678 38.249 39.000 -0.122 0.000 0.991 52 F HN -0.069 nan 8.300 nan 0.000 0.474 53 R N 0.886 121.233 120.500 -0.254 0.000 2.097 53 R HA -0.191 4.149 4.340 0.001 0.000 0.236 53 R C 1.930 177.977 176.300 -0.422 0.000 1.135 53 R CA 2.471 58.386 56.100 -0.308 0.000 0.934 53 R CB -0.950 29.287 30.300 -0.107 0.000 0.846 53 R HN 0.281 nan 8.270 nan 0.000 0.431 54 D N -0.097 120.081 120.400 -0.369 0.000 2.117 54 D HA -0.145 4.495 4.640 0.001 0.000 0.197 54 D C 1.795 177.793 176.300 -0.503 0.000 0.987 54 D CA 1.099 54.886 54.000 -0.355 0.000 0.829 54 D CB -0.349 40.297 40.800 -0.257 0.000 0.961 54 D HN 0.195 nan 8.370 nan 0.000 0.460 55 L N 0.847 121.597 121.223 -0.788 0.000 1.994 55 L HA -0.133 4.207 4.340 0.001 0.000 0.208 55 L C 2.226 178.533 176.870 -0.938 0.000 1.071 55 L CA 2.297 56.576 54.840 -0.935 0.000 0.745 55 L CB -1.222 40.007 42.059 -1.384 0.000 0.892 55 L HN 0.152 nan 8.230 nan 0.000 0.431 56 T N -5.529 108.354 114.554 -1.118 0.000 3.085 56 T HA -0.033 4.317 4.350 0.001 0.000 0.263 56 T C 1.515 175.937 174.700 -0.462 0.000 1.127 56 T CA 1.249 62.739 62.100 -1.017 0.000 1.103 56 T CB -0.573 67.644 68.868 -1.085 0.000 0.921 56 T HN 0.378 nan 8.240 nan 0.000 0.510 57 T N 1.132 115.443 114.554 -0.405 0.000 2.988 57 T HA 0.172 4.523 4.350 0.001 0.000 0.240 57 T C 0.706 175.322 174.700 -0.140 0.000 1.014 57 T CA 0.173 62.142 62.100 -0.219 0.000 1.155 57 T CB 0.036 68.785 68.868 -0.199 0.000 0.872 57 T HN 0.393 nan 8.240 nan 0.000 0.440 58 K N 1.875 122.176 120.400 -0.166 0.000 2.448 58 K HA 0.259 4.579 4.320 0.001 0.000 0.278 58 K C -0.576 175.990 176.600 -0.057 0.000 1.009 58 K CA 0.098 56.322 56.287 -0.105 0.000 0.995 58 K CB 0.459 32.885 32.500 -0.123 0.000 0.917 58 K HN 0.232 nan 8.250 nan 0.000 0.481 59 L N 3.220 124.426 121.223 -0.029 0.000 2.343 59 L HA 0.282 4.622 4.340 0.001 0.000 0.275 59 L C 1.771 178.637 176.870 -0.008 0.000 1.056 59 L CA -0.603 54.234 54.840 -0.004 0.000 0.804 59 L CB 1.164 43.225 42.059 0.004 0.000 1.203 59 L HN 0.588 nan 8.230 nan 0.000 0.440 60 R N 1.853 122.354 120.500 0.002 0.000 2.073 60 R HA -0.040 4.300 4.340 0.001 0.000 0.234 60 R C 0.958 177.257 176.300 -0.002 0.000 1.134 60 R CA 0.838 56.935 56.100 -0.004 0.000 0.952 60 R CB -0.463 29.835 30.300 -0.003 0.000 0.850 60 R HN 0.813 nan 8.270 nan 0.000 0.433 61 G N 1.879 110.684 108.800 0.007 0.000 2.474 61 G HA2 -0.061 3.899 3.960 0.001 0.000 0.233 61 G HA3 -0.061 3.899 3.960 0.001 0.000 0.233 61 G C -0.570 174.333 174.900 0.005 0.000 1.278 61 G CA -0.279 44.828 45.100 0.011 0.000 0.861 61 G HN 0.032 nan 8.290 nan 0.000 0.567 62 K N 1.028 121.432 120.400 0.006 0.000 2.383 62 K HA 0.110 4.431 4.320 0.001 0.000 0.286 62 K C 1.049 177.652 176.600 0.004 0.000 1.051 62 K CA 0.312 56.601 56.287 0.003 0.000 0.974 62 K CB -0.018 32.485 32.500 0.004 0.000 0.968 62 K HN 0.732 nan 8.250 nan 0.000 0.475 63 N N 0.084 118.784 118.700 0.000 0.000 2.850 63 N HA -0.187 4.554 4.740 0.001 0.000 0.249 63 N C -1.030 174.481 175.510 0.003 0.000 1.060 63 N CA 0.180 53.230 53.050 0.001 0.000 0.825 63 N CB -0.772 37.717 38.487 0.003 0.000 1.132 63 N HN 0.125 nan 8.380 nan 0.000 0.564 64 V N 1.196 121.111 119.914 0.003 0.000 2.408 64 V HA 0.224 4.344 4.120 0.001 0.000 0.267 64 V C 0.428 176.523 176.094 0.001 0.000 1.047 64 V CA 0.091 62.394 62.300 0.006 0.000 0.937 64 V CB 1.392 33.221 31.823 0.010 0.000 0.999 64 V HN 0.053 nan 8.190 nan 0.000 0.472 65 K N 6.254 126.656 120.400 0.003 0.000 2.156 65 K HA 0.537 4.857 4.320 0.001 0.000 0.271 65 K C -2.444 174.159 176.600 0.006 0.000 0.995 65 K CA -1.962 54.325 56.287 0.001 0.000 0.890 65 K CB 0.683 33.184 32.500 0.002 0.000 1.073 65 K HN 0.342 nan 8.250 nan 0.000 0.454 66 P HA -0.015 nan 4.420 nan 0.000 0.267 66 P C -0.935 176.376 177.300 0.019 0.000 1.195 66 P CA 0.121 63.228 63.100 0.013 0.000 0.773 66 P CB 0.562 32.268 31.700 0.009 0.000 0.837 67 S N 0.058 115.774 115.700 0.027 0.000 2.622 67 S HA 0.301 4.772 4.470 0.001 0.000 0.275 67 S C -2.704 171.918 174.600 0.036 0.000 1.112 67 S CA -1.081 57.135 58.200 0.027 0.000 0.837 67 S CB 0.921 64.133 63.200 0.020 0.000 1.082 67 S HN 0.066 nan 8.310 nan 0.000 0.456 68 P HA -0.089 nan 4.420 nan 0.000 0.218 68 P C 1.502 178.824 177.300 0.037 0.000 1.146 68 P CA 2.320 65.445 63.100 0.043 0.000 0.820 68 P CB -0.128 31.590 31.700 0.030 0.000 0.778 69 A N -2.018 120.818 122.820 0.027 0.000 1.930 69 A HA -0.021 4.299 4.320 0.001 0.000 0.215 69 A C 1.223 178.826 177.584 0.031 0.000 1.176 69 A CA 1.208 53.259 52.037 0.023 0.000 0.632 69 A CB -0.397 18.614 19.000 0.017 0.000 0.819 69 A HN 0.083 nan 8.150 nan 0.000 0.445 70 K N -0.351 120.070 120.400 0.034 0.000 2.656 70 K HA 0.383 4.704 4.320 0.001 0.000 0.253 70 K C -0.694 175.928 176.600 0.037 0.000 1.002 70 K CA -0.435 55.874 56.287 0.036 0.000 0.880 70 K CB 0.817 33.335 32.500 0.030 0.000 1.232 70 K HN 0.544 nan 8.250 nan 0.000 0.456 71 R N 1.754 122.280 120.500 0.045 0.000 2.756 71 R HA 0.480 4.821 4.340 0.001 0.000 0.273 71 R C -1.274 175.057 176.300 0.051 0.000 1.030 71 R CA -0.784 55.341 56.100 0.042 0.000 0.887 71 R CB 0.557 30.883 30.300 0.044 0.000 1.274 71 R HN 0.453 nan 8.270 nan 0.000 0.461 72 N N -0.547 118.185 118.700 0.054 0.000 2.477 72 N HA 0.649 5.389 4.740 0.001 0.000 0.284 72 N C -0.873 174.681 175.510 0.073 0.000 1.182 72 N CA -0.221 52.875 53.050 0.077 0.000 0.949 72 N CB 1.828 40.401 38.487 0.144 0.000 1.204 72 N HN 0.687 nan 8.380 nan 0.000 0.526 73 A N 0.078 122.943 122.820 0.074 0.000 2.354 73 A HA 0.738 5.058 4.320 0.001 0.000 0.321 73 A C -0.844 176.799 177.584 0.099 0.000 1.125 73 A CA -0.562 51.504 52.037 0.049 0.000 0.799 73 A CB 1.137 20.126 19.000 -0.019 0.000 1.293 73 A HN 0.352 nan 8.150 nan 0.000 0.452 74 V N 1.365 121.328 119.914 0.081 0.000 2.577 74 V HA 0.457 4.578 4.120 0.001 0.000 0.303 74 V C -0.728 175.413 176.094 0.079 0.000 1.042 74 V CA -0.415 61.961 62.300 0.126 0.000 0.872 74 V CB 1.825 33.730 31.823 0.137 0.000 0.998 74 V HN 0.721 nan 8.190 nan 0.000 0.423 75 V N 6.622 126.583 119.914 0.077 0.000 2.483 75 V HA 0.707 4.828 4.120 0.001 0.000 0.295 75 V C -0.099 176.011 176.094 0.027 0.000 1.035 75 V CA -0.452 61.854 62.300 0.011 0.000 0.896 75 V CB 1.555 33.349 31.823 -0.048 0.000 0.986 75 V HN 0.956 nan 8.190 nan 0.000 0.447 76 M N 2.697 122.299 119.600 0.003 0.000 2.465 76 M HA 0.799 5.280 4.480 0.001 0.000 0.284 76 M C -0.092 176.193 176.300 -0.025 0.000 1.212 76 M CA -0.542 54.756 55.300 -0.003 0.000 0.910 76 M CB 2.016 34.661 32.600 0.075 0.000 1.725 76 M HN 0.632 nan 8.290 nan 0.000 0.477 77 G N 1.296 110.064 108.800 -0.055 0.000 2.544 77 G HA2 0.193 4.153 3.960 0.001 0.000 0.242 77 G HA3 0.193 4.153 3.960 0.001 0.000 0.242 77 G C 0.463 175.367 174.900 0.007 0.000 1.247 77 G CA -0.472 44.601 45.100 -0.044 0.000 0.840 77 G HN 0.926 nan 8.290 nan 0.000 0.578 78 R N 0.854 121.355 120.500 0.001 0.000 2.105 78 R HA -0.083 4.257 4.340 0.001 0.000 0.239 78 R C 2.192 178.549 176.300 0.095 0.000 1.135 78 R CA 1.550 57.673 56.100 0.040 0.000 0.967 78 R CB -0.301 29.998 30.300 -0.002 0.000 0.861 78 R HN 0.646 nan 8.270 nan 0.000 0.442 79 K N -0.826 119.597 120.400 0.039 0.000 2.209 79 K HA -0.059 4.262 4.320 0.001 0.000 0.204 79 K C 1.903 178.514 176.600 0.018 0.000 1.048 79 K CA 1.669 57.971 56.287 0.025 0.000 0.940 79 K CB 0.023 32.519 32.500 -0.007 0.000 0.729 79 K HN 0.180 nan 8.250 nan 0.000 0.451 80 T N 0.436 115.002 114.554 0.020 0.000 2.942 80 T HA -0.127 4.223 4.350 0.001 0.000 0.265 80 T C 1.131 175.861 174.700 0.050 0.000 1.062 80 T CA 0.509 62.603 62.100 -0.009 0.000 1.139 80 T CB -0.104 68.738 68.868 -0.043 0.000 0.883 80 T HN 0.460 nan 8.240 nan 0.000 0.468 81 W N 2.416 123.678 121.300 -0.063 0.000 2.358 81 W HA -0.127 4.533 4.660 0.000 0.000 0.303 81 W C 0.978 177.472 176.519 -0.041 0.000 1.208 81 W CA 1.059 58.377 57.345 -0.045 0.000 1.274 81 W CB -0.172 29.267 29.460 -0.036 0.000 1.138 81 W HN 0.226 nan 8.180 nan 0.000 0.515 82 D N 0.084 120.534 120.400 0.084 0.000 2.224 82 D HA -0.157 4.483 4.640 0.001 0.000 0.205 82 D C 2.397 178.634 176.300 -0.105 0.000 0.965 82 D CA 1.861 55.846 54.000 -0.025 0.000 0.852 82 D CB -0.420 40.407 40.800 0.046 0.000 0.947 82 D HN 0.228 nan 8.370 nan 0.000 0.494 83 S N 0.021 115.662 115.700 -0.098 0.000 2.481 83 S HA -0.035 4.435 4.470 0.001 0.000 0.231 83 S C 1.086 175.598 174.600 -0.146 0.000 0.996 83 S CA -0.047 58.083 58.200 -0.117 0.000 0.942 83 S CB -0.249 62.878 63.200 -0.121 0.000 0.768 83 S HN 0.123 nan 8.310 nan 0.000 0.520 84 I N 3.186 123.638 120.570 -0.196 0.000 2.396 84 I HA 0.282 4.453 4.170 0.001 0.000 0.289 84 I C -2.493 173.522 176.117 -0.171 0.000 1.056 84 I CA -2.556 58.630 61.300 -0.190 0.000 1.365 84 I CB 0.831 38.671 38.000 -0.265 0.000 1.407 84 I HN -0.020 nan 8.210 nan 0.000 0.509 85 P HA -0.030 nan 4.420 nan 0.000 0.261 85 P C -1.702 175.510 177.300 -0.146 0.000 1.183 85 P CA -0.790 62.285 63.100 -0.041 0.000 0.761 85 P CB 0.042 31.803 31.700 0.102 0.000 0.785 86 P HA -0.268 nan 4.420 nan 0.000 0.218 86 P C 1.047 178.201 177.300 -0.244 0.000 1.150 86 P CA 2.067 65.032 63.100 -0.224 0.000 0.841 86 P CB -0.046 31.559 31.700 -0.159 0.000 0.784 87 K N -1.052 119.149 120.400 -0.332 0.000 2.211 87 K HA -0.076 4.244 4.320 0.001 0.000 0.203 87 K C 1.258 177.583 176.600 -0.458 0.000 1.050 87 K CA 1.245 57.267 56.287 -0.442 0.000 0.945 87 K CB -0.824 31.292 32.500 -0.640 0.000 0.732 87 K HN 0.090 nan 8.250 nan 0.000 0.451 88 F N 1.721 121.587 119.950 -0.141 0.000 2.660 88 F HA 0.301 4.829 4.527 0.001 0.000 0.302 88 F C 0.158 175.841 175.800 -0.195 0.000 1.103 88 F CA -0.504 57.414 58.000 -0.136 0.000 1.340 88 F CB 0.215 39.140 39.000 -0.125 0.000 1.048 88 F HN -0.193 nan 8.300 nan 0.000 0.551 89 R N 1.247 121.656 120.500 -0.152 0.000 2.637 89 R HA 0.404 4.744 4.340 0.001 0.000 0.291 89 R C -2.563 173.579 176.300 -0.263 0.000 0.963 89 R CA -1.793 54.129 56.100 -0.297 0.000 0.901 89 R CB 1.473 31.371 30.300 -0.670 0.000 1.160 89 R HN -0.132 nan 8.270 nan 0.000 0.457 90 P HA 0.154 nan 4.420 nan 0.000 0.278 90 P C -0.497 176.819 177.300 0.027 0.000 1.266 90 P CA -0.567 62.547 63.100 0.023 0.000 0.807 90 P CB 0.817 32.660 31.700 0.239 0.000 1.094 91 L N 1.599 122.879 121.223 0.094 0.000 2.534 91 L HA 0.124 4.464 4.340 0.001 0.000 0.271 91 L C -1.895 175.028 176.870 0.088 0.000 1.178 91 L CA -1.516 53.377 54.840 0.088 0.000 0.907 91 L CB -0.793 41.332 42.059 0.111 0.000 1.164 91 L HN 0.218 nan 8.230 nan 0.000 0.482 92 P HA 0.017 nan 4.420 nan 0.000 0.267 92 P C 0.872 178.201 177.300 0.048 0.000 1.200 92 P CA 0.508 63.658 63.100 0.084 0.000 0.772 92 P CB 0.764 32.511 31.700 0.078 0.000 0.855 93 G N 1.335 110.168 108.800 0.056 0.000 2.196 93 G HA2 -0.298 3.662 3.960 0.001 0.000 0.268 93 G HA3 -0.298 3.662 3.960 0.001 0.000 0.268 93 G C 0.143 175.059 174.900 0.027 0.000 0.975 93 G CA 0.170 45.288 45.100 0.030 0.000 0.648 93 G HN 0.591 nan 8.290 nan 0.000 0.538 94 R N -1.324 119.202 120.500 0.044 0.000 2.744 94 R HA 0.634 4.974 4.340 0.001 0.000 0.279 94 R C -0.536 175.808 176.300 0.073 0.000 0.977 94 R CA -1.104 55.023 56.100 0.045 0.000 0.906 94 R CB 1.542 31.854 30.300 0.020 0.000 1.197 94 R HN 0.207 nan 8.270 nan 0.000 0.463 95 L N 2.536 123.799 121.223 0.066 0.000 2.385 95 L HA 0.198 4.538 4.340 0.001 0.000 0.281 95 L C -0.587 176.314 176.870 0.051 0.000 1.106 95 L CA 0.372 55.250 54.840 0.063 0.000 0.856 95 L CB 0.087 42.171 42.059 0.042 0.000 1.186 95 L HN 0.478 nan 8.230 nan 0.000 0.453 96 N N 4.543 123.289 118.700 0.077 0.000 2.430 96 N HA 0.244 4.984 4.740 0.001 0.000 0.265 96 N C -1.175 174.325 175.510 -0.017 0.000 1.100 96 N CA -0.330 52.775 53.050 0.091 0.000 0.961 96 N CB 1.517 40.138 38.487 0.223 0.000 1.075 96 N HN 0.385 nan 8.380 nan 0.000 0.478 97 V N 3.270 123.161 119.914 -0.038 0.000 2.378 97 V HA 0.310 4.431 4.120 0.001 0.000 0.288 97 V C 0.123 176.144 176.094 -0.123 0.000 1.016 97 V CA -0.767 61.465 62.300 -0.113 0.000 0.840 97 V CB 1.676 33.423 31.823 -0.127 0.000 0.994 97 V HN 0.279 nan 8.190 nan 0.000 0.431 98 V N 6.133 125.921 119.914 -0.210 0.000 2.459 98 V HA 0.478 4.599 4.120 0.001 0.000 0.295 98 V C -0.117 175.875 176.094 -0.169 0.000 1.029 98 V CA -0.639 61.529 62.300 -0.221 0.000 0.874 98 V CB 1.899 33.443 31.823 -0.466 0.000 0.985 98 V HN 0.659 nan 8.190 nan 0.000 0.438 99 L N 4.047 125.200 121.223 -0.116 0.000 2.260 99 L HA 0.667 5.007 4.340 0.001 0.000 0.289 99 L C 0.187 177.008 176.870 -0.081 0.000 1.057 99 L CA 0.282 55.066 54.840 -0.092 0.000 0.811 99 L CB 1.292 43.307 42.059 -0.074 0.000 1.184 99 L HN 0.727 nan 8.230 nan 0.000 0.429 100 S N 0.526 116.180 115.700 -0.077 0.000 2.562 100 S HA 0.218 4.689 4.470 0.001 0.000 0.274 100 S C 0.490 175.065 174.600 -0.041 0.000 1.160 100 S CA -0.260 57.905 58.200 -0.059 0.000 0.933 100 S CB 1.732 64.886 63.200 -0.076 0.000 1.100 100 S HN 0.671 nan 8.310 nan 0.000 0.468 101 S N 2.715 118.399 115.700 -0.027 0.000 2.527 101 S HA 0.013 4.483 4.470 0.001 0.000 0.222 101 S C 1.380 175.975 174.600 -0.009 0.000 0.985 101 S CA 1.233 59.422 58.200 -0.017 0.000 0.921 101 S CB -0.446 62.746 63.200 -0.013 0.000 0.772 101 S HN 0.932 nan 8.310 nan 0.000 0.529 102 T N -0.241 114.308 114.554 -0.009 0.000 3.238 102 T HA 0.404 4.754 4.350 0.001 0.000 0.242 102 T C 0.627 175.347 174.700 0.032 0.000 0.980 102 T CA -0.458 61.643 62.100 0.003 0.000 1.235 102 T CB -0.827 68.031 68.868 -0.016 0.000 1.069 102 T HN 0.256 nan 8.240 nan 0.000 0.407 103 L N 2.745 123.973 121.223 0.009 0.000 2.514 103 L HA 0.291 4.631 4.340 0.001 0.000 0.280 103 L C 0.350 177.263 176.870 0.072 0.000 1.223 103 L CA 0.020 54.890 54.840 0.051 0.000 0.864 103 L CB 0.484 42.525 42.059 -0.029 0.000 1.118 103 L HN 0.352 nan 8.230 nan 0.000 0.494 104 T N 0.676 115.335 114.554 0.176 0.000 2.948 104 T HA 0.147 4.497 4.350 0.001 0.000 0.285 104 T C 1.229 175.889 174.700 -0.067 0.000 1.019 104 T CA -0.560 61.536 62.100 -0.007 0.000 1.013 104 T CB 1.814 70.590 68.868 -0.154 0.000 1.117 104 T HN 0.674 nan 8.240 nan 0.000 0.533 105 T N 1.193 115.687 114.554 -0.101 0.000 2.665 105 T HA -0.180 4.170 4.350 0.001 0.000 0.268 105 T C 1.956 176.610 174.700 -0.076 0.000 1.035 105 T CA 1.527 63.566 62.100 -0.101 0.000 1.151 105 T CB -0.179 68.645 68.868 -0.074 0.000 0.862 105 T HN 0.541 nan 8.240 nan 0.000 0.438 106 Q N -0.325 119.418 119.800 -0.094 0.000 2.172 106 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 106 Q C 1.943 177.946 176.000 0.005 0.000 0.964 106 Q CA 1.164 56.929 55.803 -0.062 0.000 0.855 106 Q CB -0.124 28.551 28.738 -0.106 0.000 0.918 106 Q HN 0.742 nan 8.270 nan 0.000 0.444 107 H N -0.459 118.597 119.070 -0.023 0.000 2.489 107 H HA -0.095 4.461 4.556 0.001 0.000 0.293 107 H C 1.844 177.173 175.328 0.003 0.000 1.066 107 H CA 0.954 56.995 56.048 -0.012 0.000 1.305 107 H CB 0.287 30.034 29.762 -0.026 0.000 1.386 107 H HN 0.245 nan 8.280 nan 0.000 0.551 108 L N -0.298 120.976 121.223 0.084 0.000 2.168 108 L HA -0.075 4.266 4.340 0.001 0.000 0.203 108 L C 1.987 178.956 176.870 0.165 0.000 1.078 108 L CA 0.426 55.301 54.840 0.059 0.000 0.780 108 L CB -0.124 41.781 42.059 -0.257 0.000 0.939 108 L HN 0.244 nan 8.230 nan 0.000 0.451 109 L N -0.142 121.143 121.223 0.102 0.000 2.191 109 L HA -0.190 4.150 4.340 0.001 0.000 0.212 109 L C 1.958 178.898 176.870 0.115 0.000 1.103 109 L CA 0.837 55.747 54.840 0.117 0.000 0.769 109 L CB -0.491 41.617 42.059 0.082 0.000 0.908 109 L HN 0.299 nan 8.230 nan 0.000 0.438 110 D N 0.023 120.491 120.400 0.113 0.000 2.194 110 D HA -0.072 4.568 4.640 0.001 0.000 0.204 110 D C 2.017 178.373 176.300 0.093 0.000 0.964 110 D CA 1.254 55.313 54.000 0.098 0.000 0.846 110 D CB -0.118 40.747 40.800 0.109 0.000 0.962 110 D HN 0.316 nan 8.370 nan 0.000 0.490 111 G N 0.411 109.283 108.800 0.120 0.000 3.094 111 G HA2 0.130 4.090 3.960 0.001 0.000 0.208 111 G HA3 0.130 4.090 3.960 0.001 0.000 0.208 111 G C 0.498 175.439 174.900 0.069 0.000 1.189 111 G CA -0.030 45.131 45.100 0.101 0.000 0.856 111 G HN 0.147 nan 8.290 nan 0.000 0.510 112 L N -0.475 120.789 121.223 0.068 0.000 2.325 112 L HA 0.313 4.653 4.340 0.001 0.000 0.278 112 L C -1.228 175.653 176.870 0.018 0.000 1.023 112 L CA -2.089 52.769 54.840 0.031 0.000 0.811 112 L CB 2.080 44.168 42.059 0.049 0.000 1.249 112 L HN -0.102 nan 8.230 nan 0.000 0.431 113 P HA -0.135 nan 4.420 nan 0.000 0.214 113 P C -0.273 177.031 177.300 0.007 0.000 1.169 113 P CA 1.285 64.377 63.100 -0.012 0.000 0.908 113 P CB 0.180 31.857 31.700 -0.039 0.000 0.791 114 D N -1.639 118.775 120.400 0.024 0.000 2.294 114 D HA 0.060 4.701 4.640 0.001 0.000 0.250 114 D C 0.913 177.243 176.300 0.050 0.000 1.058 114 D CA -0.092 53.929 54.000 0.034 0.000 0.950 114 D CB 1.568 42.392 40.800 0.041 0.000 1.158 114 D HN 0.077 nan 8.370 nan 0.000 0.453 115 E N 0.281 120.504 120.200 0.038 0.000 2.290 115 E HA -0.067 4.283 4.350 0.001 0.000 0.199 115 E C 0.967 177.586 176.600 0.033 0.000 0.912 115 E CA 0.154 56.577 56.400 0.038 0.000 0.924 115 E CB 0.252 29.967 29.700 0.025 0.000 0.901 115 E HN 0.435 nan 8.360 nan 0.000 0.487 116 E N 0.215 120.429 120.200 0.023 0.000 2.382 116 E HA -0.039 4.311 4.350 0.001 0.000 0.190 116 E C 1.190 177.793 176.600 0.005 0.000 1.125 116 E CA 0.235 56.641 56.400 0.010 0.000 0.929 116 E CB 0.175 29.878 29.700 0.005 0.000 1.053 116 E HN 0.053 nan 8.360 nan 0.000 0.475 117 K N -0.558 119.860 120.400 0.031 0.000 2.493 117 K HA 0.126 4.446 4.320 0.001 0.000 0.201 117 K C 1.623 178.267 176.600 0.072 0.000 1.355 117 K CA -0.279 56.029 56.287 0.035 0.000 0.953 117 K CB 0.354 32.942 32.500 0.146 0.000 1.316 117 K HN -0.047 nan 8.250 nan 0.000 0.522 118 R N 0.953 121.538 120.500 0.142 0.000 2.249 118 R HA -0.016 4.325 4.340 0.001 0.000 0.230 118 R C 1.327 177.677 176.300 0.083 0.000 1.121 118 R CA 1.068 57.267 56.100 0.165 0.000 0.997 118 R CB -0.166 30.203 30.300 0.115 0.000 0.867 118 R HN 0.212 nan 8.270 nan 0.000 0.465 119 N N 0.463 119.174 118.700 0.019 0.000 2.446 119 N HA -0.074 4.666 4.740 0.001 0.000 0.179 119 N C 1.544 177.027 175.510 -0.044 0.000 1.054 119 N CA 0.564 53.611 53.050 -0.005 0.000 0.905 119 N CB 0.202 38.683 38.487 -0.009 0.000 0.973 119 N HN 0.166 nan 8.380 nan 0.000 0.448 120 L N 0.636 121.780 121.223 -0.132 0.000 2.202 120 L HA 0.075 4.416 4.340 0.001 0.000 0.205 120 L C 1.630 178.373 176.870 -0.212 0.000 1.083 120 L CA 1.626 56.333 54.840 -0.221 0.000 0.790 120 L CB -0.469 41.364 42.059 -0.376 0.000 0.942 120 L HN 0.099 nan 8.230 nan 0.000 0.452 121 H N -0.324 118.773 119.070 0.045 0.000 2.551 121 H HA 0.285 4.841 4.556 0.001 0.000 0.266 121 H C 2.138 177.498 175.328 0.053 0.000 0.977 121 H CA 0.628 56.712 56.048 0.061 0.000 1.163 121 H CB -0.184 29.628 29.762 0.083 0.000 1.381 121 H HN 0.477 nan 8.280 nan 0.000 0.581 122 A N 1.844 124.732 122.820 0.114 0.000 1.927 122 A HA -0.219 4.102 4.320 0.001 0.000 0.220 122 A C 1.877 179.504 177.584 0.071 0.000 1.185 122 A CA 2.115 54.198 52.037 0.076 0.000 0.639 122 A CB -0.299 18.724 19.000 0.039 0.000 0.820 122 A HN 0.500 nan 8.150 nan 0.000 0.451 123 D N -1.495 118.946 120.400 0.067 0.000 2.325 123 D HA 0.133 4.773 4.640 0.001 0.000 0.225 123 D C 0.749 177.109 176.300 0.099 0.000 1.096 123 D CA 0.757 54.800 54.000 0.071 0.000 0.844 123 D CB -0.034 40.795 40.800 0.048 0.000 0.925 123 D HN 0.274 nan 8.370 nan 0.000 0.513 124 S N -0.263 115.509 115.700 0.121 0.000 2.578 124 S HA 0.318 4.788 4.470 0.001 0.000 0.231 124 S C 0.535 175.206 174.600 0.119 0.000 0.994 124 S CA -0.373 57.910 58.200 0.139 0.000 0.956 124 S CB 0.831 64.150 63.200 0.198 0.000 0.870 124 S HN 0.240 nan 8.310 nan 0.000 0.494 125 I N 0.913 121.532 120.570 0.083 0.000 2.686 125 I HA 0.574 4.744 4.170 0.001 0.000 0.295 125 I C -1.337 174.759 176.117 -0.036 0.000 1.114 125 I CA -0.854 60.449 61.300 0.006 0.000 1.038 125 I CB 2.459 40.453 38.000 -0.010 0.000 1.238 125 I HN -0.153 nan 8.210 nan 0.000 0.420 126 V N 4.601 124.452 119.914 -0.105 0.000 2.817 126 V HA 0.813 4.933 4.120 0.001 0.000 0.303 126 V C -1.163 174.833 176.094 -0.164 0.000 1.151 126 V CA -0.159 62.081 62.300 -0.100 0.000 0.929 126 V CB 1.955 33.743 31.823 -0.058 0.000 1.030 126 V HN 0.856 nan 8.190 nan 0.000 0.427 127 A N 5.471 128.201 122.820 -0.151 0.000 2.312 127 A HA 0.888 5.208 4.320 0.001 0.000 0.326 127 A C -0.950 176.567 177.584 -0.112 0.000 1.172 127 A CA -0.547 51.392 52.037 -0.164 0.000 0.821 127 A CB 1.748 20.652 19.000 -0.160 0.000 1.166 127 A HN 1.247 nan 8.150 nan 0.000 0.493 128 V N 2.860 122.709 119.914 -0.110 0.000 2.376 128 V HA 0.190 4.310 4.120 0.001 0.000 0.287 128 V C 0.014 176.068 176.094 -0.067 0.000 1.015 128 V CA -0.747 61.504 62.300 -0.082 0.000 0.834 128 V CB 1.342 33.110 31.823 -0.092 0.000 1.001 128 V HN 0.933 nan 8.190 nan 0.000 0.428 129 N N 4.380 123.051 118.700 -0.049 0.000 2.671 129 N HA 0.500 5.240 4.740 0.001 0.000 0.274 129 N C 0.133 175.623 175.510 -0.033 0.000 1.188 129 N CA 1.058 54.086 53.050 -0.037 0.000 1.065 129 N CB 0.122 38.594 38.487 -0.025 0.000 1.415 129 N HN 1.000 nan 8.380 nan 0.000 0.511 130 G N -0.351 108.425 108.800 -0.039 0.000 2.327 130 G HA2 0.405 4.366 3.960 0.001 0.000 0.291 130 G HA3 0.405 4.366 3.960 0.001 0.000 0.291 130 G C -0.281 174.593 174.900 -0.043 0.000 1.290 130 G CA -0.417 44.662 45.100 -0.035 0.000 0.857 130 G HN 0.565 nan 8.290 nan 0.000 0.520 131 G N -1.352 107.424 108.800 -0.040 0.000 2.509 131 G HA2 0.555 4.516 3.960 0.001 0.000 0.269 131 G HA3 0.555 4.516 3.960 0.001 0.000 0.269 131 G C 1.167 176.023 174.900 -0.074 0.000 1.416 131 G CA 0.319 45.391 45.100 -0.047 0.000 1.052 131 G HN 1.240 nan 8.290 nan 0.000 0.542 132 L N -0.439 120.732 121.223 -0.087 0.000 2.083 132 L HA 0.015 4.355 4.340 0.001 0.000 0.209 132 L C 2.575 179.344 176.870 -0.168 0.000 1.083 132 L CA 2.589 57.339 54.840 -0.151 0.000 0.752 132 L CB -0.619 41.332 42.059 -0.179 0.000 0.899 132 L HN 0.825 nan 8.230 nan 0.000 0.433 133 E N -0.989 119.146 120.200 -0.108 0.000 2.058 133 E HA -0.313 4.037 4.350 0.001 0.000 0.194 133 E C 2.090 178.648 176.600 -0.071 0.000 0.997 133 E CA 1.488 57.841 56.400 -0.078 0.000 0.801 133 E CB -0.047 29.636 29.700 -0.028 0.000 0.746 133 E HN 0.551 nan 8.360 nan 0.000 0.450 134 Q N 0.246 120.010 119.800 -0.061 0.000 2.124 134 Q HA -0.097 4.243 4.340 0.001 0.000 0.202 134 Q C 1.921 177.877 176.000 -0.072 0.000 0.977 134 Q CA 1.775 57.547 55.803 -0.052 0.000 0.850 134 Q CB -0.423 28.288 28.738 -0.044 0.000 0.901 134 Q HN 0.420 nan 8.270 nan 0.000 0.429 135 A N 0.176 122.934 122.820 -0.104 0.000 1.873 135 A HA -0.116 4.204 4.320 0.001 0.000 0.215 135 A C 2.008 179.508 177.584 -0.139 0.000 1.186 135 A CA 1.072 53.030 52.037 -0.132 0.000 0.616 135 A CB -0.698 18.209 19.000 -0.155 0.000 0.823 135 A HN 0.353 nan 8.150 nan 0.000 0.442 136 L N -1.058 120.073 121.223 -0.153 0.000 2.127 136 L HA -0.209 4.132 4.340 0.001 0.000 0.211 136 L C 2.825 179.651 176.870 -0.073 0.000 1.089 136 L CA 1.441 56.199 54.840 -0.137 0.000 0.757 136 L CB -0.531 41.430 42.059 -0.164 0.000 0.899 136 L HN 0.403 nan 8.230 nan 0.000 0.434 137 R N -0.466 120.002 120.500 -0.053 0.000 2.093 137 R HA -0.071 4.269 4.340 0.001 0.000 0.224 137 R C 2.266 178.566 176.300 -0.000 0.000 1.101 137 R CA 0.695 56.784 56.100 -0.019 0.000 0.979 137 R CB -0.199 30.095 30.300 -0.010 0.000 0.877 137 R HN 0.278 nan 8.270 nan 0.000 0.441 138 L N 1.195 122.409 121.223 -0.016 0.000 2.056 138 L HA -0.119 4.222 4.340 0.001 0.000 0.207 138 L C 1.878 178.786 176.870 0.064 0.000 1.078 138 L CA 1.664 56.519 54.840 0.025 0.000 0.749 138 L CB -0.310 41.733 42.059 -0.027 0.000 0.901 138 L HN 0.272 nan 8.230 nan 0.000 0.433 139 L N -0.069 121.118 121.223 -0.059 0.000 2.275 139 L HA -0.110 4.230 4.340 0.001 0.000 0.215 139 L C 2.659 179.572 176.870 0.072 0.000 1.119 139 L CA 0.779 55.584 54.840 -0.059 0.000 0.790 139 L CB -0.558 41.417 42.059 -0.139 0.000 0.919 139 L HN 0.289 nan 8.230 nan 0.000 0.443 140 A N -0.388 122.458 122.820 0.044 0.000 2.067 140 A HA -0.024 4.296 4.320 0.001 0.000 0.217 140 A C 1.536 179.161 177.584 0.069 0.000 1.156 140 A CA 0.644 52.704 52.037 0.038 0.000 0.683 140 A CB -0.376 18.627 19.000 0.006 0.000 0.808 140 A HN 0.447 nan 8.150 nan 0.000 0.455 141 S N -0.231 115.531 115.700 0.103 0.000 2.580 141 S HA 0.197 4.667 4.470 0.001 0.000 0.266 141 S C -1.467 173.171 174.600 0.063 0.000 1.354 141 S CA -0.385 57.865 58.200 0.083 0.000 1.008 141 S CB 0.276 63.532 63.200 0.094 0.000 0.898 141 S HN 0.084 nan 8.310 nan 0.000 0.555 142 P HA -0.161 nan 4.420 nan 0.000 0.217 142 P C 0.875 178.141 177.300 -0.056 0.000 1.151 142 P CA 1.901 64.998 63.100 -0.005 0.000 0.849 142 P CB -0.358 31.337 31.700 -0.007 0.000 0.787 143 N N -3.192 115.415 118.700 -0.155 0.000 2.461 143 N HA -0.099 4.641 4.740 0.001 0.000 0.188 143 N C 0.872 176.146 175.510 -0.393 0.000 1.134 143 N CA 0.731 53.607 53.050 -0.290 0.000 0.878 143 N CB -0.642 37.612 38.487 -0.388 0.000 0.972 143 N HN 0.159 nan 8.380 nan 0.000 0.456 144 Y N -0.486 119.815 120.300 0.002 0.000 2.589 144 Y HA 0.357 4.908 4.550 0.001 0.000 0.271 144 Y C 0.287 176.187 175.900 0.001 0.000 1.107 144 Y CA -0.177 57.923 58.100 0.000 0.000 1.273 144 Y CB 0.320 38.777 38.460 -0.005 0.000 1.266 144 Y HN -0.062 nan 8.280 nan 0.000 0.504 145 T N 3.953 118.586 114.554 0.131 0.000 2.779 145 T HA 0.258 4.608 4.350 0.001 0.000 0.280 145 T C -2.228 172.497 174.700 0.043 0.000 0.987 145 T CA -1.327 60.819 62.100 0.076 0.000 0.966 145 T CB 1.909 70.813 68.868 0.059 0.000 0.933 145 T HN -0.036 nan 8.240 nan 0.000 0.442 146 P HA 0.126 nan 4.420 nan 0.000 0.254 146 P C 1.237 178.564 177.300 0.045 0.000 1.494 146 P CA -0.110 63.011 63.100 0.036 0.000 0.961 146 P CB 0.061 31.773 31.700 0.022 0.000 1.493 147 S N -0.093 115.638 115.700 0.052 0.000 2.370 147 S HA -0.076 4.394 4.470 0.001 0.000 0.226 147 S C 1.170 175.813 174.600 0.071 0.000 1.033 147 S CA 0.598 58.831 58.200 0.055 0.000 1.011 147 S CB -0.849 62.381 63.200 0.051 0.000 0.852 147 S HN 0.024 nan 8.310 nan 0.000 0.457 148 I N 2.797 123.422 120.570 0.092 0.000 2.379 148 I HA 0.265 4.435 4.170 0.001 0.000 0.290 148 I C 1.483 177.629 176.117 0.048 0.000 1.063 148 I CA -0.079 61.268 61.300 0.078 0.000 1.351 148 I CB 0.865 38.915 38.000 0.083 0.000 1.410 148 I HN 0.480 nan 8.210 nan 0.000 0.505 149 E N 4.405 124.629 120.200 0.040 0.000 2.028 149 E HA -0.058 4.293 4.350 0.001 0.000 0.190 149 E C -0.167 176.436 176.600 0.005 0.000 0.984 149 E CA 1.047 57.465 56.400 0.030 0.000 0.800 149 E CB 0.463 30.183 29.700 0.033 0.000 0.758 149 E HN 0.627 nan 8.360 nan 0.000 0.448 150 T N 0.442 114.983 114.554 -0.021 0.000 2.886 150 T HA 0.431 4.781 4.350 0.001 0.000 0.292 150 T C -1.173 173.421 174.700 -0.176 0.000 1.012 150 T CA -0.705 61.311 62.100 -0.140 0.000 0.982 150 T CB 2.206 70.921 68.868 -0.256 0.000 1.018 150 T HN -0.129 nan 8.240 nan 0.000 0.451 151 V N 3.615 123.410 119.914 -0.197 0.000 2.370 151 V HA 0.430 4.550 4.120 0.001 0.000 0.283 151 V C -1.220 174.795 176.094 -0.131 0.000 1.023 151 V CA -0.736 61.515 62.300 -0.082 0.000 0.857 151 V CB 0.444 32.277 31.823 0.018 0.000 0.985 151 V HN 0.793 nan 8.190 nan 0.000 0.443 152 Y N 2.868 123.244 120.300 0.126 0.000 2.335 152 Y HA 0.403 4.953 4.550 0.000 0.000 0.338 152 Y C 0.457 176.479 175.900 0.203 0.000 0.977 152 Y CA -0.532 57.668 58.100 0.167 0.000 1.114 152 Y CB 1.627 40.117 38.460 0.050 0.000 1.182 152 Y HN 0.651 nan 8.280 nan 0.000 0.463 153 C N 7.280 126.862 119.300 0.470 0.000 2.322 153 C HA 0.359 4.819 4.460 0.001 0.000 0.343 153 C C 1.482 176.703 174.990 0.385 0.000 1.190 153 C CA -0.669 58.565 59.018 0.360 0.000 1.704 153 C CB -2.171 25.848 27.740 0.465 0.000 2.293 153 C HN 0.937 nan 8.230 nan 0.000 0.523 154 I N 4.349 125.082 120.570 0.273 0.000 3.875 154 I HA 0.547 4.717 4.170 0.001 0.000 0.329 154 I C 0.748 176.906 176.117 0.069 0.000 1.295 154 I CA 0.551 62.032 61.300 0.301 0.000 1.129 154 I CB -0.434 37.805 38.000 0.398 0.000 1.008 154 I HN 0.797 nan 8.210 nan 0.000 0.413 155 G N -0.211 108.430 108.800 -0.266 0.000 2.347 155 G HA2 0.429 4.389 3.960 0.001 0.000 0.321 155 G HA3 0.429 4.389 3.960 0.001 0.000 0.321 155 G C -0.469 174.052 174.900 -0.632 0.000 1.412 155 G CA -0.185 44.459 45.100 -0.759 0.000 0.990 155 G HN 1.053 nan 8.290 nan 0.000 0.637 156 G N -1.476 106.945 108.800 -0.631 0.000 3.326 156 G HA2 0.491 4.451 3.960 0.001 0.000 0.681 156 G HA3 0.491 4.451 3.960 0.001 0.000 0.681 156 G C 1.143 175.881 174.900 -0.270 0.000 1.255 156 G CA 0.835 45.753 45.100 -0.304 0.000 0.976 156 G HN 2.210 nan 8.290 nan 0.000 0.563 157 G N 1.439 110.223 108.800 -0.026 0.000 2.529 157 G HA2 -0.054 3.906 3.960 0.001 0.000 0.219 157 G HA3 -0.054 3.906 3.960 0.001 0.000 0.219 157 G C 2.386 177.372 174.900 0.143 0.000 1.177 157 G CA 2.431 47.628 45.100 0.162 0.000 0.773 157 G HN 2.148 nan 8.290 nan 0.000 0.573 158 S N 0.102 115.837 115.700 0.060 0.000 2.399 158 S HA -0.081 4.390 4.470 0.001 0.000 0.231 158 S C 2.273 176.903 174.600 0.049 0.000 1.022 158 S CA 1.477 59.711 58.200 0.057 0.000 0.983 158 S CB -0.400 62.815 63.200 0.025 0.000 0.803 158 S HN 0.149 nan 8.310 nan 0.000 0.480 159 V N 0.612 120.516 119.914 -0.016 0.000 2.307 159 V HA -0.110 4.010 4.120 0.001 0.000 0.245 159 V C 2.376 178.537 176.094 0.110 0.000 1.045 159 V CA 1.622 63.905 62.300 -0.028 0.000 1.024 159 V CB -1.144 30.591 31.823 -0.147 0.000 0.651 159 V HN 0.413 nan 8.190 nan 0.000 0.449 160 Y N 1.042 121.441 120.300 0.165 0.000 2.165 160 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 160 Y C 2.611 178.648 175.900 0.227 0.000 1.155 160 Y CA 0.997 59.258 58.100 0.269 0.000 1.164 160 Y CB -1.417 37.292 38.460 0.415 0.000 0.978 160 Y HN 0.190 nan 8.280 nan 0.000 0.513 161 A N -0.041 122.977 122.820 0.330 0.000 1.908 161 A HA -0.284 4.037 4.320 0.001 0.000 0.218 161 A C 2.259 179.932 177.584 0.149 0.000 1.181 161 A CA 2.008 54.159 52.037 0.191 0.000 0.627 161 A CB -0.811 18.276 19.000 0.144 0.000 0.818 161 A HN 0.557 nan 8.150 nan 0.000 0.445 162 E N -0.254 120.027 120.200 0.135 0.000 2.106 162 E HA -0.053 4.298 4.350 0.001 0.000 0.192 162 E C 1.970 178.651 176.600 0.137 0.000 0.984 162 E CA 0.895 57.355 56.400 0.100 0.000 0.806 162 E CB -0.252 29.480 29.700 0.053 0.000 0.750 162 E HN 0.528 nan 8.360 nan 0.000 0.458 163 A N 0.594 123.541 122.820 0.212 0.000 2.067 163 A HA -0.032 4.289 4.320 0.001 0.000 0.219 163 A C 1.909 179.683 177.584 0.318 0.000 1.158 163 A CA 0.623 52.874 52.037 0.356 0.000 0.661 163 A CB -0.225 19.106 19.000 0.551 0.000 0.801 163 A HN 0.320 nan 8.150 nan 0.000 0.452 164 L N -0.532 120.818 121.223 0.211 0.000 2.592 164 L HA 0.147 4.487 4.340 0.001 0.000 0.227 164 L C 0.948 177.873 176.870 0.092 0.000 1.127 164 L CA -0.149 54.768 54.840 0.128 0.000 0.884 164 L CB -0.150 41.935 42.059 0.042 0.000 1.065 164 L HN 0.505 nan 8.230 nan 0.000 0.457 165 R N -1.221 119.332 120.500 0.089 0.000 2.854 165 R HA 0.633 4.974 4.340 0.001 0.000 0.271 165 R C -2.957 173.363 176.300 0.034 0.000 0.994 165 R CA -2.091 54.042 56.100 0.054 0.000 0.945 165 R CB 0.519 30.854 30.300 0.059 0.000 1.194 165 R HN -0.309 nan 8.270 nan 0.000 0.476 166 P HA 0.088 nan 4.420 nan 0.000 0.272 166 P C -1.868 175.489 177.300 0.095 0.000 1.223 166 P CA -1.122 62.004 63.100 0.043 0.000 0.784 166 P CB 0.466 32.266 31.700 0.167 0.000 0.923 167 P HA 0.038 nan 4.420 nan 0.000 0.245 167 P C 0.511 177.922 177.300 0.186 0.000 1.206 167 P CA 0.449 63.675 63.100 0.211 0.000 0.781 167 P CB -0.126 31.680 31.700 0.177 0.000 0.994 168 C N 0.474 119.860 119.300 0.142 0.000 2.429 168 C HA -0.102 4.358 4.460 0.001 0.000 0.277 168 C C 2.892 178.078 174.990 0.327 0.000 1.262 168 C CA 1.238 60.399 59.018 0.239 0.000 1.733 168 C CB -1.499 26.351 27.740 0.184 0.000 2.010 168 C HN 0.218 nan 8.230 nan 0.000 0.483 169 V N -0.662 119.326 119.914 0.123 0.000 2.469 169 V HA -0.239 3.882 4.120 0.001 0.000 0.251 169 V C 2.135 178.261 176.094 0.053 0.000 1.064 169 V CA 2.154 64.511 62.300 0.094 0.000 1.066 169 V CB -1.285 30.535 31.823 -0.004 0.000 0.667 169 V HN 0.609 nan 8.190 nan 0.000 0.461 170 H N 0.043 119.243 119.070 0.217 0.000 2.545 170 H HA 0.198 4.754 4.556 0.000 0.000 0.282 170 H C 1.679 177.128 175.328 0.202 0.000 1.020 170 H CA 1.211 57.361 56.048 0.171 0.000 1.243 170 H CB 0.142 29.991 29.762 0.145 0.000 1.377 170 H HN 0.442 nan 8.280 nan 0.000 0.581 171 L N 0.364 121.776 121.223 0.315 0.000 2.808 171 L HA 0.130 4.470 4.340 0.001 0.000 0.246 171 L C 0.053 176.970 176.870 0.079 0.000 1.153 171 L CA -0.187 54.831 54.840 0.296 0.000 0.956 171 L CB 0.682 42.962 42.059 0.369 0.000 1.270 171 L HN -0.025 nan 8.230 nan 0.000 0.528 172 L N 0.534 121.716 121.223 -0.067 0.000 2.283 172 L HA 0.166 4.506 4.340 0.001 0.000 0.287 172 L C 1.231 178.090 176.870 -0.019 0.000 1.073 172 L CA 0.632 55.229 54.840 -0.405 0.000 0.822 172 L CB 0.625 42.569 42.059 -0.192 0.000 1.186 172 L HN 0.130 nan 8.230 nan 0.000 0.436 173 Q N 4.297 124.051 119.800 -0.077 0.000 2.269 173 Q HA 0.345 4.685 4.340 0.001 0.000 0.201 173 Q C 0.121 176.183 176.000 0.103 0.000 0.946 173 Q CA 0.889 56.726 55.803 0.057 0.000 0.877 173 Q CB 0.328 29.102 28.738 0.059 0.000 0.963 173 Q HN 0.741 nan 8.270 nan 0.000 0.472 174 A N 0.080 122.942 122.820 0.069 0.000 2.597 174 A HA 0.621 4.941 4.320 0.001 0.000 0.292 174 A C -1.581 175.961 177.584 -0.069 0.000 1.057 174 A CA -0.683 51.370 52.037 0.027 0.000 0.674 174 A CB 0.828 19.760 19.000 -0.113 0.000 1.278 174 A HN 0.112 nan 8.150 nan 0.000 0.416 175 I N 1.527 121.987 120.570 -0.183 0.000 2.411 175 I HA 0.326 4.496 4.170 0.001 0.000 0.284 175 I C -1.497 174.526 176.117 -0.157 0.000 1.012 175 I CA -0.333 60.878 61.300 -0.149 0.000 1.119 175 I CB 1.380 39.222 38.000 -0.263 0.000 1.261 175 I HN 0.623 nan 8.210 nan 0.000 0.448 176 Y N 5.886 126.248 120.300 0.103 0.000 2.454 176 Y HA 0.446 4.997 4.550 0.001 0.000 0.345 176 Y C 0.357 176.331 175.900 0.122 0.000 0.970 176 Y CA -0.461 57.750 58.100 0.184 0.000 1.204 176 Y CB 0.805 39.445 38.460 0.300 0.000 1.122 176 Y HN 0.428 nan 8.280 nan 0.000 0.514 177 R N 2.179 122.794 120.500 0.191 0.000 2.409 177 R HA 0.466 4.807 4.340 0.001 0.000 0.313 177 R C -1.080 175.262 176.300 0.070 0.000 0.953 177 R CA -0.395 55.749 56.100 0.073 0.000 0.849 177 R CB 0.937 31.249 30.300 0.021 0.000 1.171 177 R HN 0.569 nan 8.270 nan 0.000 0.458 178 T N 2.732 117.306 114.554 0.033 0.000 2.845 178 T HA 0.236 4.587 4.350 0.001 0.000 0.288 178 T C -0.318 174.179 174.700 -0.339 0.000 0.980 178 T CA -0.045 61.973 62.100 -0.137 0.000 1.071 178 T CB 1.534 70.366 68.868 -0.060 0.000 0.941 178 T HN 0.416 nan 8.240 nan 0.000 0.487 179 T N 4.574 118.733 114.554 -0.658 0.000 2.770 179 T HA 0.444 4.794 4.350 0.001 0.000 0.283 179 T C -0.195 174.069 174.700 -0.726 0.000 0.988 179 T CA -0.613 61.031 62.100 -0.761 0.000 0.957 179 T CB 0.279 68.459 68.868 -1.147 0.000 0.930 179 T HN 0.320 nan 8.240 nan 0.000 0.443 180 I N 3.887 124.060 120.570 -0.662 0.000 2.330 180 I HA 0.316 4.487 4.170 0.001 0.000 0.289 180 I C 0.766 176.593 176.117 -0.484 0.000 1.001 180 I CA -0.649 60.258 61.300 -0.656 0.000 1.193 180 I CB 1.109 38.399 38.000 -1.183 0.000 1.345 180 I HN 0.480 nan 8.210 nan 0.000 0.461 181 R N 4.705 125.024 120.500 -0.301 0.000 3.268 181 R HA 0.399 4.739 4.340 0.001 0.000 0.217 181 R C 0.288 176.487 176.300 -0.168 0.000 1.568 181 R CA -0.252 55.728 56.100 -0.199 0.000 1.322 181 R CB 0.145 30.379 30.300 -0.110 0.000 1.280 181 R HN 0.684 nan 8.270 nan 0.000 0.667 182 A N 1.015 123.718 122.820 -0.195 0.000 2.409 182 A HA 0.141 4.461 4.320 0.001 0.000 0.262 182 A C 1.018 178.590 177.584 -0.020 0.000 1.113 182 A CA -0.384 51.594 52.037 -0.098 0.000 0.790 182 A CB 0.721 19.683 19.000 -0.063 0.000 1.046 182 A HN 0.589 nan 8.150 nan 0.000 0.496 183 S N 0.684 116.387 115.700 0.004 0.000 2.481 183 S HA -0.058 4.412 4.470 0.001 0.000 0.231 183 S C 0.863 175.492 174.600 0.049 0.000 0.996 183 S CA 1.167 59.381 58.200 0.023 0.000 0.942 183 S CB -0.207 63.005 63.200 0.020 0.000 0.768 183 S HN 0.884 nan 8.310 nan 0.000 0.520 184 E N 0.441 120.680 120.200 0.065 0.000 2.227 184 E HA 0.535 4.885 4.350 0.001 0.000 0.268 184 E C -1.229 175.441 176.600 0.117 0.000 0.990 184 E CA -0.738 55.712 56.400 0.083 0.000 0.856 184 E CB 1.339 31.088 29.700 0.083 0.000 1.159 184 E HN -0.111 nan 8.360 nan 0.000 0.401 185 S N 0.875 116.642 115.700 0.112 0.000 2.293 185 S HA 0.149 4.620 4.470 0.001 0.000 0.154 185 S C -0.825 173.829 174.600 0.090 0.000 1.602 185 S CA -0.720 57.564 58.200 0.139 0.000 1.260 185 S CB 0.367 63.653 63.200 0.143 0.000 1.270 185 S HN 0.526 nan 8.310 nan 0.000 0.416 186 S N -0.128 115.619 115.700 0.078 0.000 2.256 186 S HA 0.462 4.932 4.470 0.001 0.000 0.210 186 S C -0.056 174.537 174.600 -0.012 0.000 1.329 186 S CA -0.509 57.710 58.200 0.032 0.000 1.267 186 S CB -0.454 62.758 63.200 0.020 0.000 1.086 186 S HN 0.518 nan 8.310 nan 0.000 0.468 187 C N 1.656 120.931 119.300 -0.042 0.000 2.493 187 C HA 0.825 5.286 4.460 0.001 0.000 0.326 187 C C 1.441 176.276 174.990 -0.258 0.000 1.200 187 C CA -0.434 58.458 59.018 -0.211 0.000 1.739 187 C CB 1.698 29.225 27.740 -0.355 0.000 2.300 187 C HN 0.806 nan 8.230 nan 0.000 0.500 188 S N -0.169 115.370 115.700 -0.267 0.000 2.687 188 S HA 0.223 4.693 4.470 0.001 0.000 0.247 188 S C -0.306 174.279 174.600 -0.025 0.000 1.050 188 S CA -0.057 58.120 58.200 -0.038 0.000 1.063 188 S CB 0.007 63.221 63.200 0.025 0.000 1.039 188 S HN 0.479 nan 8.310 nan 0.000 0.580 189 V N 3.085 122.832 119.914 -0.278 0.000 2.448 189 V HA 0.652 4.773 4.120 0.001 0.000 0.295 189 V C -1.134 174.817 176.094 -0.239 0.000 1.025 189 V CA -0.587 61.672 62.300 -0.068 0.000 0.859 189 V CB 0.967 32.778 31.823 -0.019 0.000 0.988 189 V HN 0.353 nan 8.190 nan 0.000 0.431 190 F N 3.544 123.583 119.950 0.148 0.000 2.661 190 F HA 0.713 5.240 4.527 0.001 0.000 0.347 190 F C -0.567 175.386 175.800 0.254 0.000 1.086 190 F CA -1.272 56.838 58.000 0.182 0.000 1.016 190 F CB 1.586 40.660 39.000 0.124 0.000 1.368 190 F HN 0.394 nan 8.300 nan 0.000 0.505 191 F N 1.865 121.979 119.950 0.273 0.000 2.659 191 F HA 0.592 5.119 4.527 0.001 0.000 0.342 191 F C -0.862 174.977 175.800 0.064 0.000 1.168 191 F CA -0.540 57.523 58.000 0.105 0.000 1.003 191 F CB 0.902 39.859 39.000 -0.073 0.000 1.267 191 F HN 0.439 nan 8.300 nan 0.000 0.463 192 R N 5.092 125.289 120.500 -0.505 0.000 2.621 192 R HA 0.756 5.097 4.340 0.001 0.000 0.292 192 R C -1.914 174.042 176.300 -0.574 0.000 0.969 192 R CA -0.733 55.095 56.100 -0.454 0.000 0.887 192 R CB 2.022 32.216 30.300 -0.175 0.000 1.180 192 R HN 0.473 nan 8.270 nan 0.000 0.450 193 V N 6.144 125.771 119.914 -0.479 0.000 2.385 193 V HA 0.294 4.415 4.120 0.001 0.000 0.269 193 V C -1.893 174.118 176.094 -0.139 0.000 1.043 193 V CA -1.690 60.400 62.300 -0.351 0.000 0.906 193 V CB 1.037 32.664 31.823 -0.327 0.000 0.995 193 V HN 0.824 nan 8.190 nan 0.000 0.467 194 P HA -0.005 nan 4.420 nan 0.000 0.263 194 P C 0.164 177.490 177.300 0.043 0.000 1.175 194 P CA 0.188 63.288 63.100 -0.000 0.000 0.761 194 P CB 0.453 32.174 31.700 0.035 0.000 0.794 195 E N 1.882 122.098 120.200 0.027 0.000 2.413 195 E HA 0.050 4.401 4.350 0.001 0.000 0.263 195 E C -0.201 176.432 176.600 0.054 0.000 1.015 195 E CA -0.057 56.366 56.400 0.038 0.000 0.916 195 E CB 0.441 30.153 29.700 0.019 0.000 0.947 195 E HN 0.409 nan 8.360 nan 0.000 0.440 196 S N 1.320 117.056 115.700 0.059 0.000 2.569 196 S HA 0.211 4.681 4.470 0.001 0.000 0.274 196 S C 1.136 175.755 174.600 0.031 0.000 1.353 196 S CA 0.352 58.582 58.200 0.050 0.000 1.023 196 S CB 0.848 64.071 63.200 0.038 0.000 0.876 196 S HN 0.861 nan 8.310 nan 0.000 0.540 197 G N 1.154 109.968 108.800 0.024 0.000 2.353 197 G HA2 -0.299 3.661 3.960 0.001 0.000 0.258 197 G HA3 -0.299 3.661 3.960 0.001 0.000 0.258 197 G C 0.362 175.275 174.900 0.023 0.000 1.013 197 G CA 0.683 45.793 45.100 0.018 0.000 0.622 197 G HN 0.778 nan 8.290 nan 0.000 0.535 198 T N 1.224 115.795 114.554 0.028 0.000 2.898 198 T HA 0.382 4.732 4.350 0.001 0.000 0.301 198 T C 1.487 176.209 174.700 0.036 0.000 1.049 198 T CA 0.510 62.627 62.100 0.029 0.000 1.095 198 T CB 1.129 70.013 68.868 0.027 0.000 0.976 198 T HN 0.414 nan 8.240 nan 0.000 0.539 199 E N 1.324 121.544 120.200 0.034 0.000 2.160 199 E HA -0.165 4.185 4.350 0.001 0.000 0.195 199 E C 2.293 178.924 176.600 0.052 0.000 0.991 199 E CA 1.004 57.429 56.400 0.042 0.000 0.810 199 E CB -0.151 29.571 29.700 0.037 0.000 0.742 199 E HN 0.711 nan 8.360 nan 0.000 0.466 200 A N 1.465 124.312 122.820 0.045 0.000 2.070 200 A HA -0.019 4.301 4.320 0.001 0.000 0.220 200 A C 2.348 179.973 177.584 0.069 0.000 1.159 200 A CA 1.326 53.392 52.037 0.048 0.000 0.656 200 A CB -0.350 18.669 19.000 0.032 0.000 0.800 200 A HN 0.279 nan 8.150 nan 0.000 0.453 201 A N -1.718 121.148 122.820 0.077 0.000 2.014 201 A HA 0.327 4.647 4.320 0.001 0.000 0.218 201 A C 1.962 179.608 177.584 0.103 0.000 1.163 201 A CA 1.607 53.709 52.037 0.107 0.000 0.652 201 A CB -0.618 18.432 19.000 0.084 0.000 0.808 201 A HN 1.995 nan 8.150 nan 0.000 0.449 202 A N -3.455 119.421 122.820 0.094 0.000 4.030 202 A HA 0.065 4.386 4.320 0.001 0.000 0.261 202 A C 2.167 179.835 177.584 0.141 0.000 0.920 202 A CA 2.079 54.198 52.037 0.137 0.000 1.304 202 A CB -1.826 17.247 19.000 0.122 0.000 1.035 202 A HN 2.452 nan 8.150 nan 0.000 0.829 203 G N -2.102 106.742 108.800 0.072 0.000 2.198 203 G HA2 0.081 4.041 3.960 0.001 0.000 0.156 203 G HA3 0.081 4.041 3.960 0.001 0.000 0.156 203 G C -0.048 174.834 174.900 -0.029 0.000 1.012 203 G CA 0.065 45.183 45.100 0.031 0.000 0.692 203 G HN 1.281 nan 8.290 nan 0.000 0.492 204 I N 1.059 121.589 120.570 -0.066 0.000 2.428 204 I HA 0.484 4.654 4.170 0.001 0.000 0.296 204 I C -0.013 175.921 176.117 -0.306 0.000 0.985 204 I CA -0.574 60.567 61.300 -0.264 0.000 1.260 204 I CB 1.536 39.296 38.000 -0.400 0.000 1.389 204 I HN 0.016 nan 8.210 nan 0.000 0.484 205 E N 5.187 125.147 120.200 -0.400 0.000 2.267 205 E HA 0.215 4.565 4.350 0.001 0.000 0.248 205 E C -1.706 174.705 176.600 -0.314 0.000 0.899 205 E CA -0.561 55.693 56.400 -0.242 0.000 0.764 205 E CB 1.067 30.692 29.700 -0.126 0.000 1.227 205 E HN 0.371 nan 8.360 nan 0.000 0.421 206 W N 3.836 125.137 121.300 0.002 0.000 2.304 206 W HA 0.112 4.772 4.660 0.000 0.000 0.313 206 W C 0.641 177.162 176.519 0.003 0.000 1.323 206 W CA -0.334 57.012 57.345 0.002 0.000 1.223 206 W CB 0.552 30.015 29.460 0.006 0.000 1.237 206 W HN 0.335 nan 8.180 nan 0.000 0.535 207 Q N 2.915 122.830 119.800 0.192 0.000 2.394 207 Q HA 0.504 4.844 4.340 0.001 0.000 0.273 207 Q C -0.489 175.586 176.000 0.126 0.000 1.089 207 Q CA -1.343 54.533 55.803 0.122 0.000 0.812 207 Q CB 1.990 30.761 28.738 0.054 0.000 1.353 207 Q HN 0.513 nan 8.270 nan 0.000 0.438 208 R N 1.362 121.919 120.500 0.096 0.000 2.449 208 R HA -0.033 4.308 4.340 0.001 0.000 0.296 208 R C 0.447 176.793 176.300 0.076 0.000 1.047 208 R CA 0.444 56.593 56.100 0.082 0.000 1.018 208 R CB 0.639 30.977 30.300 0.063 0.000 0.962 208 R HN 0.998 nan 8.270 nan 0.000 0.428 209 E N 2.364 122.611 120.200 0.080 0.000 2.162 209 E HA -0.021 4.330 4.350 0.001 0.000 0.193 209 E C -0.348 176.308 176.600 0.093 0.000 0.953 209 E CA 0.887 57.347 56.400 0.099 0.000 0.849 209 E CB 0.422 30.182 29.700 0.100 0.000 0.810 209 E HN 0.747 nan 8.360 nan 0.000 0.470 210 T N -1.467 113.134 114.554 0.079 0.000 2.868 210 T HA 0.606 4.957 4.350 0.001 0.000 0.306 210 T C -0.761 173.987 174.700 0.079 0.000 1.224 210 T CA -0.884 61.263 62.100 0.079 0.000 1.012 210 T CB 1.891 70.814 68.868 0.092 0.000 1.221 210 T HN 0.134 nan 8.240 nan 0.000 0.499 211 I N 1.988 122.598 120.570 0.066 0.000 2.685 211 I HA 0.477 4.648 4.170 0.001 0.000 0.289 211 I C -0.023 176.122 176.117 0.047 0.000 1.292 211 I CA -0.477 60.862 61.300 0.065 0.000 1.050 211 I CB 2.072 40.069 38.000 -0.005 0.000 1.301 211 I HN 1.119 nan 8.210 nan 0.000 0.425 212 S N 4.630 120.388 115.700 0.097 0.000 2.634 212 S HA 0.406 4.877 4.470 0.001 0.000 0.261 212 S C 0.108 174.700 174.600 -0.013 0.000 1.271 212 S CA -0.328 57.917 58.200 0.076 0.000 0.985 212 S CB 1.354 64.663 63.200 0.182 0.000 0.968 212 S HN 0.702 nan 8.310 nan 0.000 0.568 213 E N 0.170 120.352 120.200 -0.031 0.000 2.405 213 E HA 0.191 4.542 4.350 0.001 0.000 0.253 213 E C -0.229 176.298 176.600 -0.121 0.000 1.257 213 E CA -0.269 56.081 56.400 -0.082 0.000 0.960 213 E CB 0.418 30.080 29.700 -0.063 0.000 1.077 213 E HN 0.711 nan 8.360 nan 0.000 0.512 214 E N 1.174 121.287 120.200 -0.145 0.000 2.180 214 E HA 0.149 4.499 4.350 0.001 0.000 0.283 214 E C -0.811 175.640 176.600 -0.247 0.000 1.061 214 E CA -0.156 56.143 56.400 -0.168 0.000 0.861 214 E CB 0.247 29.870 29.700 -0.127 0.000 1.056 214 E HN 0.318 nan 8.360 nan 0.000 0.407 215 L N 3.349 124.278 121.223 -0.490 0.000 2.344 215 L HA 0.379 4.719 4.340 0.001 0.000 0.272 215 L C 0.145 176.705 176.870 -0.515 0.000 1.035 215 L CA -0.801 53.684 54.840 -0.591 0.000 0.807 215 L CB 1.889 43.390 42.059 -0.930 0.000 1.237 215 L HN 0.453 nan 8.230 nan 0.000 0.442 216 T N 0.867 115.316 114.554 -0.175 0.000 2.756 216 T HA 0.173 4.523 4.350 0.001 0.000 0.290 216 T C 0.078 174.886 174.700 0.179 0.000 0.985 216 T CA -0.265 61.839 62.100 0.007 0.000 0.955 216 T CB 1.316 70.185 68.868 0.001 0.000 0.930 216 T HN 0.585 nan 8.240 nan 0.000 0.451 217 S N 2.028 117.900 115.700 0.287 0.000 2.579 217 S HA 0.405 4.875 4.470 0.001 0.000 0.275 217 S C 1.068 175.731 174.600 0.104 0.000 1.345 217 S CA -0.524 57.808 58.200 0.220 0.000 1.031 217 S CB 0.309 63.562 63.200 0.089 0.000 0.892 217 S HN 0.815 nan 8.310 nan 0.000 0.529 218 A N 3.401 126.267 122.820 0.077 0.000 2.577 218 A HA 0.226 4.546 4.320 0.001 0.000 0.280 218 A C 1.098 178.702 177.584 0.033 0.000 1.331 218 A CA -0.134 51.934 52.037 0.051 0.000 0.935 218 A CB -1.110 17.920 19.000 0.050 0.000 1.082 218 A HN 0.978 nan 8.150 nan 0.000 0.525 219 N N -1.027 117.690 118.700 0.028 0.000 2.515 219 N HA 0.221 4.962 4.740 0.001 0.000 0.191 219 N C 1.121 176.643 175.510 0.020 0.000 1.182 219 N CA 0.596 53.657 53.050 0.019 0.000 0.879 219 N CB 0.083 38.578 38.487 0.013 0.000 0.984 219 N HN 0.469 nan 8.380 nan 0.000 0.453 220 G N 1.028 109.841 108.800 0.022 0.000 2.217 220 G HA2 -0.276 3.684 3.960 0.001 0.000 0.246 220 G HA3 -0.276 3.684 3.960 0.001 0.000 0.246 220 G C 0.551 175.462 174.900 0.019 0.000 0.990 220 G CA 0.160 45.271 45.100 0.019 0.000 0.627 220 G HN 0.486 nan 8.290 nan 0.000 0.522 221 N N 0.934 119.647 118.700 0.021 0.000 2.184 221 N HA 0.204 4.944 4.740 0.001 0.000 0.206 221 N C 0.642 176.164 175.510 0.019 0.000 1.151 221 N CA 0.616 53.677 53.050 0.019 0.000 0.878 221 N CB 0.352 38.851 38.487 0.020 0.000 1.014 221 N HN 0.660 nan 8.380 nan 0.000 0.512 222 E N 0.221 120.436 120.200 0.026 0.000 2.660 222 E HA -0.168 4.182 4.350 0.001 0.000 0.260 222 E C -0.713 175.907 176.600 0.033 0.000 1.122 222 E CA 0.496 56.915 56.400 0.031 0.000 0.755 222 E CB -1.763 27.948 29.700 0.018 0.000 1.345 222 E HN 0.217 nan 8.360 nan 0.000 0.421 223 T N 1.809 116.384 114.554 0.034 0.000 2.923 223 T HA -0.021 4.330 4.350 0.001 0.000 0.304 223 T C 0.482 175.222 174.700 0.066 0.000 1.044 223 T CA 0.194 62.308 62.100 0.023 0.000 1.141 223 T CB 0.510 69.375 68.868 -0.005 0.000 1.023 223 T HN -0.008 nan 8.240 nan 0.000 0.533 224 K N 3.123 123.531 120.400 0.014 0.000 2.205 224 K HA 0.438 4.758 4.320 0.001 0.000 0.279 224 K C -0.306 176.291 176.600 -0.005 0.000 1.027 224 K CA -0.417 55.862 56.287 -0.013 0.000 0.932 224 K CB 1.101 33.576 32.500 -0.043 0.000 1.032 224 K HN 0.812 nan 8.250 nan 0.000 0.466 225 Y N -0.187 120.002 120.300 -0.184 0.000 2.689 225 Y HA 0.646 5.197 4.550 0.000 0.000 0.333 225 Y C -1.455 174.281 175.900 -0.272 0.000 1.208 225 Y CA -1.632 56.263 58.100 -0.341 0.000 1.055 225 Y CB 1.170 39.355 38.460 -0.459 0.000 1.304 225 Y HN 0.586 nan 8.280 nan 0.000 0.455 226 Y N -0.673 119.380 120.300 -0.411 0.000 2.592 226 Y HA 0.777 5.327 4.550 0.000 0.000 0.334 226 Y C -2.314 173.321 175.900 -0.442 0.000 1.136 226 Y CA -2.570 55.251 58.100 -0.465 0.000 1.042 226 Y CB 0.901 39.196 38.460 -0.275 0.000 1.325 226 Y HN 0.607 nan 8.280 nan 0.000 0.457 227 F N 1.420 121.417 119.950 0.079 0.000 2.432 227 F HA 0.665 5.192 4.527 0.001 0.000 0.329 227 F C 0.130 175.983 175.800 0.088 0.000 1.076 227 F CA -0.601 57.363 58.000 -0.060 0.000 1.018 227 F CB 1.926 40.722 39.000 -0.339 0.000 1.201 227 F HN 0.680 nan 8.300 nan 0.000 0.489 228 E N 1.911 122.270 120.200 0.265 0.000 2.343 228 E HA 0.268 4.618 4.350 0.001 0.000 0.278 228 E C -1.748 174.940 176.600 0.147 0.000 0.910 228 E CA -0.923 55.601 56.400 0.206 0.000 0.757 228 E CB 2.053 31.889 29.700 0.226 0.000 1.218 228 E HN 0.590 nan 8.360 nan 0.000 0.435 229 K N 4.620 125.071 120.400 0.085 0.000 2.323 229 K HA 0.394 4.714 4.320 0.001 0.000 0.259 229 K C -1.506 175.081 176.600 -0.020 0.000 0.947 229 K CA -0.693 55.568 56.287 -0.043 0.000 0.819 229 K CB 0.804 33.254 32.500 -0.083 0.000 1.109 229 K HN 0.293 nan 8.250 nan 0.000 0.429 230 L N 5.669 126.868 121.223 -0.041 0.000 2.334 230 L HA 0.602 4.943 4.340 0.001 0.000 0.276 230 L C -0.207 176.776 176.870 0.188 0.000 1.014 230 L CA -0.704 54.195 54.840 0.099 0.000 0.815 230 L CB 1.517 43.639 42.059 0.104 0.000 1.268 230 L HN 0.591 nan 8.230 nan 0.000 0.428 231 I N -0.016 120.737 120.570 0.306 0.000 2.865 231 I HA 0.670 4.840 4.170 0.001 0.000 0.302 231 I C -2.741 173.453 176.117 0.130 0.000 1.140 231 I CA -2.179 59.288 61.300 0.280 0.000 1.021 231 I CB 2.783 40.840 38.000 0.096 0.000 1.233 231 I HN 0.372 nan 8.210 nan 0.000 0.427 232 P HA 0.129 nan 4.420 nan 0.000 0.282 232 P C -0.667 176.441 177.300 -0.321 0.000 1.262 232 P CA -0.235 62.475 63.100 -0.650 0.000 0.773 232 P CB 0.986 32.246 31.700 -0.733 0.000 0.879 233 R N 3.860 124.179 120.500 -0.302 0.000 2.494 233 R HA -0.060 4.280 4.340 0.001 0.000 0.291 233 R C 0.257 176.451 176.300 -0.176 0.000 0.953 233 R CA 0.275 56.265 56.100 -0.184 0.000 1.098 233 R CB -0.198 30.006 30.300 -0.159 0.000 0.911 233 R HN 0.401 nan 8.270 nan 0.000 0.407 234 N N 4.255 122.858 118.700 -0.162 0.000 2.801 234 N HA 0.087 4.828 4.740 0.001 0.000 0.235 234 N C 0.276 175.705 175.510 -0.135 0.000 1.069 234 N CA -0.177 52.748 53.050 -0.208 0.000 0.946 234 N CB 0.603 38.877 38.487 -0.356 0.000 1.212 234 N HN 0.569 nan 8.380 nan 0.000 0.509 235 R N 1.273 121.717 120.500 -0.093 0.000 2.152 235 R HA -0.065 4.275 4.340 0.001 0.000 0.232 235 R C 1.090 177.372 176.300 -0.030 0.000 1.117 235 R CA 1.092 57.157 56.100 -0.058 0.000 0.981 235 R CB 0.293 30.558 30.300 -0.058 0.000 0.870 235 R HN 0.574 nan 8.270 nan 0.000 0.451 236 E N 0.734 120.934 120.200 0.000 0.000 2.072 236 E HA -0.220 4.131 4.350 0.001 0.000 0.191 236 E C 1.858 178.605 176.600 0.246 0.000 0.985 236 E CA 1.078 57.523 56.400 0.075 0.000 0.801 236 E CB 0.065 29.955 29.700 0.315 0.000 0.750 236 E HN 0.362 nan 8.360 nan 0.000 0.452 237 E N 0.934 121.246 120.200 0.187 0.000 2.208 237 E HA -0.169 4.181 4.350 0.001 0.000 0.193 237 E C 1.633 178.365 176.600 0.220 0.000 0.988 237 E CA 0.691 57.248 56.400 0.263 0.000 0.828 237 E CB 0.189 29.896 29.700 0.012 0.000 0.763 237 E HN 0.230 nan 8.360 nan 0.000 0.478 238 E N 0.295 120.551 120.200 0.092 0.000 2.150 238 E HA -0.208 4.142 4.350 0.001 0.000 0.193 238 E C 2.118 178.761 176.600 0.072 0.000 0.985 238 E CA 0.733 57.170 56.400 0.061 0.000 0.814 238 E CB -0.006 29.695 29.700 0.002 0.000 0.752 238 E HN 0.386 nan 8.360 nan 0.000 0.466 239 Q N -0.016 119.829 119.800 0.075 0.000 2.045 239 Q HA -0.245 4.095 4.340 0.001 0.000 0.206 239 Q C 2.054 178.120 176.000 0.111 0.000 0.991 239 Q CA 1.942 57.772 55.803 0.045 0.000 0.851 239 Q CB -0.315 28.413 28.738 -0.017 0.000 0.911 239 Q HN 0.393 nan 8.270 nan 0.000 0.418 240 Y N 0.979 121.351 120.300 0.119 0.000 2.145 240 Y HA -0.228 4.322 4.550 0.000 0.000 0.286 240 Y C 1.851 177.798 175.900 0.078 0.000 1.145 240 Y CA 1.450 59.636 58.100 0.143 0.000 1.148 240 Y CB -0.182 38.424 38.460 0.243 0.000 0.981 240 Y HN 0.021 nan 8.280 nan 0.000 0.507 241 L N -0.841 120.419 121.223 0.061 0.000 2.046 241 L HA -0.230 4.110 4.340 0.001 0.000 0.208 241 L C 2.577 179.376 176.870 -0.118 0.000 1.077 241 L CA 1.483 56.280 54.840 -0.071 0.000 0.747 241 L CB -0.837 41.253 42.059 0.053 0.000 0.896 241 L HN 0.145 nan 8.230 nan 0.000 0.432 242 S N 0.201 115.864 115.700 -0.061 0.000 2.370 242 S HA -0.204 4.266 4.470 0.001 0.000 0.226 242 S C 1.863 176.406 174.600 -0.095 0.000 1.033 242 S CA 1.480 59.642 58.200 -0.064 0.000 1.011 242 S CB -0.375 62.800 63.200 -0.041 0.000 0.852 242 S HN 0.242 nan 8.310 nan 0.000 0.457 243 L N 1.769 122.919 121.223 -0.122 0.000 2.056 243 L HA -0.016 4.324 4.340 0.001 0.000 0.207 243 L C 2.176 178.943 176.870 -0.172 0.000 1.078 243 L CA 1.494 56.253 54.840 -0.135 0.000 0.749 243 L CB -0.708 41.273 42.059 -0.130 0.000 0.901 243 L HN 0.127 nan 8.230 nan 0.000 0.433 244 V N -0.175 119.574 119.914 -0.275 0.000 2.343 244 V HA -0.308 3.812 4.120 0.001 0.000 0.247 244 V C 2.336 178.350 176.094 -0.132 0.000 1.051 244 V CA 1.996 64.151 62.300 -0.242 0.000 1.036 244 V CB -0.778 30.838 31.823 -0.344 0.000 0.654 244 V HN 0.540 nan 8.190 nan 0.000 0.451 245 D N -0.227 120.103 120.400 -0.116 0.000 2.117 245 D HA -0.185 4.456 4.640 0.001 0.000 0.197 245 D C 2.388 178.654 176.300 -0.057 0.000 0.987 245 D CA 1.333 55.291 54.000 -0.070 0.000 0.829 245 D CB -0.139 40.625 40.800 -0.059 0.000 0.961 245 D HN 0.214 nan 8.370 nan 0.000 0.460 246 R N -0.283 120.178 120.500 -0.064 0.000 2.081 246 R HA -0.038 4.303 4.340 0.001 0.000 0.235 246 R C 2.487 178.760 176.300 -0.045 0.000 1.131 246 R CA 1.026 57.096 56.100 -0.050 0.000 0.960 246 R CB -0.245 30.023 30.300 -0.054 0.000 0.856 246 R HN 0.310 nan 8.270 nan 0.000 0.436 247 I N 0.427 120.963 120.570 -0.057 0.000 2.286 247 I HA -0.298 3.873 4.170 0.001 0.000 0.248 247 I C 2.115 178.211 176.117 -0.034 0.000 1.115 247 I CA 1.291 62.563 61.300 -0.045 0.000 1.392 247 I CB -0.154 37.811 38.000 -0.058 0.000 1.065 247 I HN 0.221 nan 8.210 nan 0.000 0.418 248 I N 0.253 120.802 120.570 -0.035 0.000 2.353 248 I HA -0.214 3.956 4.170 0.001 0.000 0.248 248 I C 2.535 178.641 176.117 -0.018 0.000 1.119 248 I CA 1.248 62.534 61.300 -0.023 0.000 1.417 248 I CB -0.277 37.712 38.000 -0.018 0.000 1.078 248 I HN 0.134 nan 8.210 nan 0.000 0.421 249 R N 0.459 120.946 120.500 -0.021 0.000 2.161 249 R HA -0.021 4.320 4.340 0.001 0.000 0.213 249 R C 1.209 177.501 176.300 -0.014 0.000 1.055 249 R CA 0.875 56.965 56.100 -0.016 0.000 0.996 249 R CB 0.130 30.419 30.300 -0.018 0.000 0.901 249 R HN 0.389 nan 8.270 nan 0.000 0.456 250 E N -0.837 119.353 120.200 -0.017 0.000 2.676 250 E HA 0.139 4.489 4.350 0.001 0.000 0.225 250 E C 0.275 176.868 176.600 -0.011 0.000 0.944 250 E CA -0.278 56.114 56.400 -0.013 0.000 1.156 250 E CB 1.261 30.953 29.700 -0.014 0.000 1.117 250 E HN 0.202 nan 8.360 nan 0.000 0.523 251 G N 1.475 110.266 108.800 -0.015 0.000 2.554 251 G HA2 0.006 3.967 3.960 0.001 0.000 0.238 251 G HA3 0.006 3.967 3.960 0.001 0.000 0.238 251 G C 0.062 174.953 174.900 -0.014 0.000 1.259 251 G CA -0.432 44.660 45.100 -0.014 0.000 0.843 251 G HN 0.011 nan 8.290 nan 0.000 0.582 252 N N -0.494 118.198 118.700 -0.013 0.000 2.518 252 N HA 0.145 4.885 4.740 0.001 0.000 0.266 252 N C -0.027 175.463 175.510 -0.033 0.000 1.196 252 N CA -0.221 52.819 53.050 -0.016 0.000 0.947 252 N CB 1.837 40.315 38.487 -0.015 0.000 1.098 252 N HN 0.134 nan 8.380 nan 0.000 0.450 253 V N 2.305 122.206 119.914 -0.021 0.000 2.465 253 V HA 0.339 4.459 4.120 0.001 0.000 0.279 253 V C 0.315 176.391 176.094 -0.029 0.000 1.045 253 V CA -0.251 62.028 62.300 -0.034 0.000 0.938 253 V CB 0.766 32.605 31.823 0.028 0.000 0.986 253 V HN 0.564 nan 8.190 nan 0.000 0.467 254 K N 2.975 123.297 120.400 -0.130 0.000 2.508 254 K HA 0.681 5.001 4.320 0.001 0.000 0.260 254 K C -1.726 174.713 176.600 -0.269 0.000 0.949 254 K CA -1.054 55.184 56.287 -0.082 0.000 0.834 254 K CB 2.414 34.856 32.500 -0.097 0.000 1.365 254 K HN 0.750 nan 8.250 nan 0.000 0.437 255 H N 0.475 119.523 119.070 -0.036 0.000 2.689 255 H HA 0.151 4.708 4.556 0.001 0.000 0.346 255 H C -0.885 174.433 175.328 -0.017 0.000 1.037 255 H CA -0.904 55.131 56.048 -0.021 0.000 1.234 255 H CB 1.319 31.075 29.762 -0.010 0.000 1.572 255 H HN 0.660 nan 8.280 nan 0.000 0.524 256 D N 0.791 121.232 120.400 0.068 0.000 2.447 256 D HA 0.071 4.712 4.640 0.001 0.000 0.265 256 D C 0.831 177.168 176.300 0.061 0.000 1.250 256 D CA -0.752 53.277 54.000 0.048 0.000 1.046 256 D CB 0.856 41.675 40.800 0.032 0.000 1.095 256 D HN 0.271 nan 8.370 nan 0.000 0.555 257 R N -1.534 118.993 120.500 0.045 0.000 2.355 257 R HA 0.027 4.367 4.340 0.001 0.000 0.219 257 R C 1.327 177.652 176.300 0.042 0.000 1.107 257 R CA 1.243 57.367 56.100 0.039 0.000 1.021 257 R CB -0.764 29.556 30.300 0.034 0.000 0.852 257 R HN 0.508 nan 8.270 nan 0.000 0.475 258 T N -1.927 112.658 114.554 0.051 0.000 3.010 258 T HA 0.281 4.631 4.350 0.001 0.000 0.257 258 T C 1.045 175.781 174.700 0.060 0.000 1.020 258 T CA 0.470 62.599 62.100 0.049 0.000 0.938 258 T CB 1.008 69.904 68.868 0.047 0.000 1.049 258 T HN 0.423 nan 8.240 nan 0.000 0.522 259 G N 1.586 110.438 108.800 0.086 0.000 2.141 259 G HA2 -0.228 3.732 3.960 0.001 0.000 0.231 259 G HA3 -0.228 3.732 3.960 0.001 0.000 0.231 259 G C 0.109 175.108 174.900 0.165 0.000 0.984 259 G CA -0.167 45.011 45.100 0.130 0.000 0.660 259 G HN 0.488 nan 8.290 nan 0.000 0.525 260 V N 1.535 121.513 119.914 0.106 0.000 2.415 260 V HA 0.557 4.677 4.120 0.001 0.000 0.267 260 V C 1.415 177.503 176.094 -0.010 0.000 1.042 260 V CA 0.224 62.572 62.300 0.081 0.000 1.000 260 V CB 0.831 32.715 31.823 0.102 0.000 1.015 260 V HN 0.699 nan 8.190 nan 0.000 0.478 261 G N 4.037 112.782 108.800 -0.092 0.000 2.444 261 G HA2 0.604 4.564 3.960 0.001 0.000 0.268 261 G HA3 0.604 4.564 3.960 0.001 0.000 0.268 261 G C -0.029 174.702 174.900 -0.281 0.000 1.203 261 G CA 0.096 44.957 45.100 -0.397 0.000 0.835 261 G HN 0.849 nan 8.290 nan 0.000 0.543 262 T N -1.326 113.002 114.554 -0.377 0.000 2.894 262 T HA 0.567 4.917 4.350 0.001 0.000 0.309 262 T C -1.225 173.337 174.700 -0.231 0.000 1.208 262 T CA -0.950 60.937 62.100 -0.355 0.000 1.016 262 T CB 1.798 70.353 68.868 -0.521 0.000 1.192 262 T HN 0.248 nan 8.240 nan 0.000 0.491 263 L N 2.927 124.058 121.223 -0.152 0.000 2.333 263 L HA 0.841 5.182 4.340 0.001 0.000 0.280 263 L C 0.254 177.096 176.870 -0.046 0.000 1.004 263 L CA -0.200 54.591 54.840 -0.082 0.000 0.820 263 L CB 1.269 43.297 42.059 -0.050 0.000 1.247 263 L HN 1.193 nan 8.230 nan 0.000 0.416 264 S N 3.413 119.096 115.700 -0.028 0.000 2.607 264 S HA 0.922 5.392 4.470 0.001 0.000 0.273 264 S C -0.636 173.980 174.600 0.027 0.000 1.148 264 S CA -0.808 57.401 58.200 0.016 0.000 0.833 264 S CB 2.220 65.440 63.200 0.032 0.000 1.130 264 S HN 0.489 nan 8.310 nan 0.000 0.470 265 I N -1.924 118.677 120.570 0.052 0.000 3.145 265 I HA 0.860 5.031 4.170 0.001 0.000 0.313 265 I C -1.680 174.532 176.117 0.158 0.000 1.122 265 I CA -1.304 60.038 61.300 0.071 0.000 0.987 265 I CB 1.945 39.957 38.000 0.019 0.000 1.236 265 I HN 0.633 nan 8.210 nan 0.000 0.453 266 F N 2.423 122.357 119.950 -0.025 0.000 2.460 266 F HA 0.776 5.303 4.527 0.001 0.000 0.341 266 F C 0.239 176.023 175.800 -0.026 0.000 1.130 266 F CA -0.274 57.714 58.000 -0.021 0.000 0.962 266 F CB 1.184 40.179 39.000 -0.009 0.000 1.171 266 F HN 0.962 nan 8.300 nan 0.000 0.436 267 G N 4.225 112.695 108.800 -0.550 0.000 3.436 267 G HA2 0.504 4.464 3.960 0.001 0.000 0.685 267 G HA3 0.504 4.464 3.960 0.001 0.000 0.685 267 G C -1.305 173.440 174.900 -0.259 0.000 1.039 267 G CA -0.337 44.466 45.100 -0.495 0.000 0.879 267 G HN 1.673 nan 8.290 nan 0.000 0.478 268 A N 2.329 125.002 122.820 -0.245 0.000 2.610 268 A HA 0.984 5.304 4.320 0.001 0.000 0.291 268 A C -0.505 176.966 177.584 -0.189 0.000 1.086 268 A CA 0.011 51.937 52.037 -0.185 0.000 0.677 268 A CB 2.031 20.930 19.000 -0.168 0.000 1.278 268 A HN 1.479 nan 8.150 nan 0.000 0.414 269 Q N 0.210 119.924 119.800 -0.145 0.000 2.309 269 Q HA 0.738 5.079 4.340 0.001 0.000 0.273 269 Q C -1.686 174.258 176.000 -0.093 0.000 1.040 269 Q CA -0.392 55.339 55.803 -0.120 0.000 0.834 269 Q CB 1.990 30.670 28.738 -0.097 0.000 1.345 269 Q HN 0.823 nan 8.270 nan 0.000 0.414 270 M N 1.684 121.255 119.600 -0.048 0.000 2.658 270 M HA 0.644 5.124 4.480 0.001 0.000 0.295 270 M C -0.966 175.246 176.300 -0.145 0.000 1.248 270 M CA -0.826 54.419 55.300 -0.093 0.000 0.843 270 M CB 2.675 35.311 32.600 0.060 0.000 1.749 270 M HN 0.403 nan 8.290 nan 0.000 0.464 271 R N 0.812 121.037 120.500 -0.459 0.000 2.686 271 R HA 0.766 5.106 4.340 0.001 0.000 0.286 271 R C -1.929 173.915 176.300 -0.760 0.000 0.969 271 R CA -0.562 55.319 56.100 -0.365 0.000 0.898 271 R CB 2.283 32.453 30.300 -0.216 0.000 1.183 271 R HN 0.511 nan 8.270 nan 0.000 0.456 272 F N -0.358 119.609 119.950 0.029 0.000 2.574 272 F HA 0.253 4.781 4.527 0.001 0.000 0.313 272 F C 0.394 176.193 175.800 -0.000 0.000 1.130 272 F CA -0.659 57.353 58.000 0.019 0.000 0.936 272 F CB 2.288 41.267 39.000 -0.034 0.000 1.219 272 F HN 0.291 nan 8.300 nan 0.000 0.445 273 S N 1.936 117.729 115.700 0.155 0.000 2.565 273 S HA 0.522 4.993 4.470 0.001 0.000 0.274 273 S C 0.071 174.709 174.600 0.063 0.000 1.309 273 S CA -0.307 57.949 58.200 0.093 0.000 1.043 273 S CB 0.615 63.861 63.200 0.076 0.000 0.939 273 S HN 0.567 nan 8.310 nan 0.000 0.504 274 L N 3.986 125.242 121.223 0.054 0.000 3.016 274 L HA 0.385 4.725 4.340 0.001 0.000 0.267 274 L C 0.950 177.849 176.870 0.049 0.000 1.182 274 L CA 0.293 55.153 54.840 0.032 0.000 0.997 274 L CB -0.276 41.812 42.059 0.048 0.000 1.354 274 L HN 0.589 nan 8.230 nan 0.000 0.569 275 R N 0.610 121.145 120.500 0.059 0.000 2.643 275 R HA 0.105 4.446 4.340 0.001 0.000 0.270 275 R C 0.180 176.538 176.300 0.097 0.000 1.061 275 R CA -0.069 56.072 56.100 0.069 0.000 1.107 275 R CB -0.137 30.199 30.300 0.060 0.000 0.999 275 R HN 0.250 nan 8.270 nan 0.000 0.460 276 N N 2.200 120.963 118.700 0.106 0.000 2.725 276 N HA -0.273 4.467 4.740 0.001 0.000 0.251 276 N C -0.644 175.000 175.510 0.222 0.000 1.031 276 N CA 0.490 53.627 53.050 0.146 0.000 0.720 276 N CB -0.819 37.766 38.487 0.163 0.000 0.930 276 N HN 0.829 nan 8.380 nan 0.000 0.543 277 N N -2.229 116.577 118.700 0.175 0.000 2.900 277 N HA -0.201 4.539 4.740 0.001 0.000 0.240 277 N C -0.474 175.131 175.510 0.159 0.000 0.953 277 N CA 1.079 54.252 53.050 0.204 0.000 0.950 277 N CB -0.411 38.236 38.487 0.266 0.000 1.102 277 N HN 0.435 nan 8.380 nan 0.000 0.593 278 R N 1.007 121.549 120.500 0.071 0.000 2.583 278 R HA 0.127 4.467 4.340 0.001 0.000 0.274 278 R C 0.181 176.348 176.300 -0.222 0.000 0.998 278 R CA 0.180 56.158 56.100 -0.204 0.000 1.081 278 R CB 0.213 30.444 30.300 -0.116 0.000 0.940 278 R HN 0.240 nan 8.270 nan 0.000 0.413 279 L N 6.007 127.009 121.223 -0.369 0.000 2.406 279 L HA 0.356 4.696 4.340 0.001 0.000 0.270 279 L C -2.117 174.365 176.870 -0.646 0.000 0.982 279 L CA -1.803 52.785 54.840 -0.419 0.000 0.843 279 L CB 2.186 43.964 42.059 -0.468 0.000 1.225 279 L HN 0.405 nan 8.230 nan 0.000 0.412 280 P HA 0.062 nan 4.420 nan 0.000 0.235 280 P C -0.760 175.936 177.300 -1.005 0.000 1.765 280 P CA 0.202 62.422 63.100 -1.466 0.000 1.034 280 P CB -0.293 30.808 31.700 -0.998 0.000 1.984 281 L N 3.001 123.804 121.223 -0.700 0.000 2.257 281 L HA 0.295 4.635 4.340 0.001 0.000 0.290 281 L C 1.101 178.041 176.870 0.117 0.000 1.044 281 L CA -1.017 53.623 54.840 -0.335 0.000 0.810 281 L CB 0.998 42.683 42.059 -0.624 0.000 1.193 281 L HN 0.075 nan 8.230 nan 0.000 0.425 282 L N 2.958 124.268 121.223 0.145 0.000 2.543 282 L HA -0.063 4.278 4.340 0.001 0.000 0.285 282 L C 1.598 178.697 176.870 0.382 0.000 1.236 282 L CA 0.289 55.304 54.840 0.291 0.000 0.871 282 L CB 0.420 42.481 42.059 0.003 0.000 1.121 282 L HN 0.740 nan 8.230 nan 0.000 0.501 283 T N -4.221 110.532 114.554 0.332 0.000 3.040 283 T HA -0.068 4.282 4.350 0.001 0.000 0.252 283 T C 1.547 176.429 174.700 0.303 0.000 1.064 283 T CA 0.524 62.807 62.100 0.304 0.000 1.110 283 T CB -0.189 68.829 68.868 0.250 0.000 0.921 283 T HN 0.747 nan 8.240 nan 0.000 0.480 284 T N -0.443 114.230 114.554 0.198 0.000 3.051 284 T HA 0.124 4.475 4.350 0.001 0.000 0.269 284 T C 0.575 175.330 174.700 0.092 0.000 1.127 284 T CA 0.480 62.620 62.100 0.067 0.000 1.107 284 T CB -0.249 68.613 68.868 -0.009 0.000 0.898 284 T HN 0.536 nan 8.240 nan 0.000 0.517 285 K N 0.882 121.364 120.400 0.137 0.000 2.616 285 K HA 0.327 4.647 4.320 0.001 0.000 0.255 285 K C -0.729 175.961 176.600 0.150 0.000 0.995 285 K CA -0.739 55.620 56.287 0.121 0.000 0.860 285 K CB 1.687 34.247 32.500 0.101 0.000 1.264 285 K HN 0.150 nan 8.250 nan 0.000 0.451 286 R N 2.621 123.201 120.500 0.135 0.000 2.566 286 R HA 0.045 4.385 4.340 0.001 0.000 0.273 286 R C -0.977 175.476 176.300 0.254 0.000 0.981 286 R CA 0.149 56.361 56.100 0.186 0.000 1.091 286 R CB 0.444 30.804 30.300 0.100 0.000 0.924 286 R HN 0.267 nan 8.270 nan 0.000 0.411 287 V N 6.598 126.737 119.914 0.375 0.000 2.483 287 V HA 0.157 4.277 4.120 0.001 0.000 0.295 287 V C 0.125 176.452 176.094 0.388 0.000 1.035 287 V CA -0.556 61.929 62.300 0.307 0.000 0.896 287 V CB 1.449 33.383 31.823 0.186 0.000 0.986 287 V HN 0.772 nan 8.190 nan 0.000 0.447 288 F N 5.150 125.204 119.950 0.173 0.000 2.651 288 F HA -0.002 4.526 4.527 0.001 0.000 0.367 288 F C 1.302 177.123 175.800 0.034 0.000 1.225 288 F CA -0.150 57.937 58.000 0.144 0.000 1.310 288 F CB -0.135 38.978 39.000 0.188 0.000 1.724 288 F HN 0.854 nan 8.300 nan 0.000 0.662 289 W N 4.292 125.592 121.300 -0.000 0.000 2.321 289 W HA -0.264 4.396 4.660 0.001 0.000 0.306 289 W C 1.880 178.183 176.519 -0.359 0.000 1.217 289 W CA 1.568 58.773 57.345 -0.234 0.000 1.257 289 W CB -0.347 29.004 29.460 -0.181 0.000 1.145 289 W HN 0.454 nan 8.180 nan 0.000 0.509 290 R N 0.347 120.578 120.500 -0.449 0.000 2.105 290 R HA -0.133 4.208 4.340 0.001 0.000 0.239 290 R C 2.569 178.307 176.300 -0.937 0.000 1.135 290 R CA 2.039 57.779 56.100 -0.600 0.000 0.967 290 R CB -0.932 29.244 30.300 -0.206 0.000 0.861 290 R HN 0.258 nan 8.270 nan 0.000 0.442 291 G N -0.390 107.506 108.800 -1.506 0.000 2.394 291 G HA2 -0.169 3.791 3.960 0.001 0.000 0.215 291 G HA3 -0.169 3.791 3.960 0.001 0.000 0.215 291 G C 1.389 175.897 174.900 -0.654 0.000 1.165 291 G CA 0.614 45.042 45.100 -1.120 0.000 0.784 291 G HN 0.189 nan 8.290 nan 0.000 0.535 292 V N 0.430 119.790 119.914 -0.924 0.000 2.252 292 V HA -0.272 3.848 4.120 0.001 0.000 0.249 292 V C 2.980 178.567 176.094 -0.844 0.000 1.056 292 V CA 1.964 63.606 62.300 -1.097 0.000 1.022 292 V CB -0.849 30.202 31.823 -1.287 0.000 0.641 292 V HN 0.579 nan 8.190 nan 0.000 0.445 293 C N 0.159 118.768 119.300 -1.152 0.000 2.436 293 C HA -0.144 4.316 4.460 0.001 0.000 0.277 293 C C 2.849 177.554 174.990 -0.475 0.000 1.241 293 C CA 1.333 59.809 59.018 -0.903 0.000 1.721 293 C CB -1.089 25.988 27.740 -1.106 0.000 2.043 293 C HN 0.622 nan 8.230 nan 0.000 0.472 294 E N 0.372 120.299 120.200 -0.455 0.000 2.085 294 E HA -0.239 4.112 4.350 0.001 0.000 0.194 294 E C 2.081 178.526 176.600 -0.258 0.000 0.994 294 E CA 1.533 57.756 56.400 -0.296 0.000 0.801 294 E CB -0.659 28.850 29.700 -0.319 0.000 0.743 294 E HN 0.801 nan 8.360 nan 0.000 0.453 295 E N 0.543 120.540 120.200 -0.337 0.000 2.072 295 E HA -0.164 4.187 4.350 0.001 0.000 0.191 295 E C 2.308 178.660 176.600 -0.414 0.000 0.985 295 E CA 0.519 56.696 56.400 -0.373 0.000 0.801 295 E CB -0.036 29.483 29.700 -0.303 0.000 0.750 295 E HN 0.102 nan 8.360 nan 0.000 0.452 296 L N 0.569 121.652 121.223 -0.233 0.000 2.017 296 L HA -0.183 4.157 4.340 0.001 0.000 0.208 296 L C 2.252 179.184 176.870 0.102 0.000 1.073 296 L CA 1.117 55.980 54.840 0.039 0.000 0.745 296 L CB -0.369 41.711 42.059 0.034 0.000 0.894 296 L HN 0.195 nan 8.230 nan 0.000 0.432 297 L N -1.046 120.201 121.223 0.040 0.000 2.043 297 L HA -0.262 4.079 4.340 0.001 0.000 0.212 297 L C 2.229 179.184 176.870 0.141 0.000 1.075 297 L CA 1.993 56.895 54.840 0.105 0.000 0.752 297 L CB -1.525 40.583 42.059 0.082 0.000 0.891 297 L HN 0.605 nan 8.230 nan 0.000 0.432 298 W N -0.542 120.675 121.300 -0.138 0.000 2.338 298 W HA -0.273 4.387 4.660 0.000 0.000 0.304 298 W C 2.371 178.833 176.519 -0.095 0.000 1.212 298 W CA 1.403 58.652 57.345 -0.159 0.000 1.264 298 W CB -0.413 28.867 29.460 -0.301 0.000 1.142 298 W HN 0.091 nan 8.180 nan 0.000 0.512 299 F N 0.328 120.279 119.950 0.002 0.000 2.075 299 F HA -0.197 4.331 4.527 0.001 0.000 0.297 299 F C 2.386 178.052 175.800 -0.224 0.000 1.113 299 F CA 1.592 59.389 58.000 -0.339 0.000 1.218 299 F CB -1.548 37.183 39.000 -0.448 0.000 0.984 299 F HN -0.197 nan 8.300 nan 0.000 0.472 300 L N -0.561 120.800 121.223 0.229 0.000 2.189 300 L HA -0.221 4.119 4.340 0.001 0.000 0.214 300 L C 2.280 179.214 176.870 0.107 0.000 1.097 300 L CA 1.258 56.226 54.840 0.214 0.000 0.764 300 L CB -0.487 41.694 42.059 0.204 0.000 0.900 300 L HN 0.080 nan 8.230 nan 0.000 0.436 301 R N -0.229 120.303 120.500 0.054 0.000 2.313 301 R HA 0.059 4.399 4.340 0.001 0.000 0.199 301 R C 1.168 177.467 176.300 -0.001 0.000 0.958 301 R CA 0.544 56.666 56.100 0.036 0.000 1.047 301 R CB 0.047 30.372 30.300 0.040 0.000 0.955 301 R HN 0.429 nan 8.270 nan 0.000 0.481 302 G N 1.847 110.611 108.800 -0.060 0.000 2.221 302 G HA2 -0.255 3.706 3.960 0.001 0.000 0.265 302 G HA3 -0.255 3.706 3.960 0.001 0.000 0.265 302 G C -0.252 174.586 174.900 -0.105 0.000 1.041 302 G CA 0.003 45.069 45.100 -0.056 0.000 0.807 302 G HN 0.267 nan 8.290 nan 0.000 0.502 303 E N -0.416 119.547 120.200 -0.395 0.000 2.392 303 E HA 0.447 4.798 4.350 0.001 0.000 0.259 303 E C 1.380 177.577 176.600 -0.672 0.000 1.108 303 E CA 0.697 56.789 56.400 -0.513 0.000 0.916 303 E CB 0.922 30.086 29.700 -0.894 0.000 0.989 303 E HN 0.628 nan 8.360 nan 0.000 0.432 304 T N -2.708 111.706 114.554 -0.233 0.000 3.186 304 T HA 0.016 4.366 4.350 0.001 0.000 0.292 304 T C -0.073 174.730 174.700 0.171 0.000 0.915 304 T CA -0.360 61.654 62.100 -0.145 0.000 0.902 304 T CB -0.186 68.634 68.868 -0.080 0.000 1.192 304 T HN 0.322 nan 8.240 nan 0.000 0.563 305 Y N 2.975 123.356 120.300 0.135 0.000 2.477 305 Y HA 0.735 5.285 4.550 0.001 0.000 0.349 305 Y C 1.364 177.369 175.900 0.175 0.000 0.977 305 Y CA -1.939 56.167 58.100 0.011 0.000 1.214 305 Y CB 0.670 39.013 38.460 -0.195 0.000 1.124 305 Y HN 0.227 nan 8.280 nan 0.000 0.521 306 A N 5.393 128.177 122.820 -0.059 0.000 2.019 306 A HA -0.165 4.155 4.320 0.001 0.000 0.219 306 A C 2.304 179.598 177.584 -0.483 0.000 1.164 306 A CA 1.548 53.396 52.037 -0.314 0.000 0.644 306 A CB -0.425 18.463 19.000 -0.187 0.000 0.805 306 A HN 0.808 nan 8.150 nan 0.000 0.449 307 K N 0.306 120.234 120.400 -0.787 0.000 2.152 307 K HA -0.194 4.127 4.320 0.001 0.000 0.206 307 K C 1.720 178.033 176.600 -0.479 0.000 1.048 307 K CA 1.687 57.543 56.287 -0.718 0.000 0.933 307 K CB -0.175 31.648 32.500 -1.128 0.000 0.721 307 K HN 0.486 nan 8.250 nan 0.000 0.447 308 K N 0.056 120.211 120.400 -0.409 0.000 2.209 308 K HA -0.135 4.185 4.320 0.001 0.000 0.204 308 K C 1.869 178.306 176.600 -0.272 0.000 1.048 308 K CA 0.757 56.939 56.287 -0.175 0.000 0.940 308 K CB 0.021 32.559 32.500 0.063 0.000 0.729 308 K HN 0.085 nan 8.250 nan 0.000 0.451 309 L N 0.626 121.579 121.223 -0.450 0.000 2.071 309 L HA -0.084 4.256 4.340 0.001 0.000 0.201 309 L C 2.450 179.082 176.870 -0.396 0.000 1.076 309 L CA 1.710 56.252 54.840 -0.495 0.000 0.755 309 L CB -1.104 40.538 42.059 -0.694 0.000 0.915 309 L HN 0.130 nan 8.230 nan 0.000 0.445 310 S N -1.183 114.285 115.700 -0.387 0.000 2.419 310 S HA -0.193 4.277 4.470 0.001 0.000 0.235 310 S C 1.562 175.970 174.600 -0.321 0.000 1.019 310 S CA 1.299 59.229 58.200 -0.450 0.000 0.982 310 S CB -0.552 62.531 63.200 -0.195 0.000 0.789 310 S HN 0.381 nan 8.310 nan 0.000 0.490 311 D N 1.751 122.021 120.400 -0.217 0.000 2.264 311 D HA 0.046 4.686 4.640 0.001 0.000 0.208 311 D C 1.440 177.673 176.300 -0.112 0.000 0.966 311 D CA 0.874 54.801 54.000 -0.123 0.000 0.864 311 D CB -0.091 40.653 40.800 -0.094 0.000 0.933 311 D HN 0.562 nan 8.370 nan 0.000 0.499 312 K N -0.671 119.631 120.400 -0.164 0.000 2.387 312 K HA 0.265 4.586 4.320 0.001 0.000 0.198 312 K C 0.903 177.434 176.600 -0.114 0.000 1.022 312 K CA 0.303 56.516 56.287 -0.122 0.000 1.128 312 K CB 1.180 33.596 32.500 -0.139 0.000 0.853 312 K HN 0.052 nan 8.250 nan 0.000 0.523 313 G N 1.174 109.865 108.800 -0.182 0.000 2.141 313 G HA2 -0.219 3.741 3.960 0.001 0.000 0.242 313 G HA3 -0.219 3.741 3.960 0.001 0.000 0.242 313 G C 0.010 174.806 174.900 -0.173 0.000 0.982 313 G CA -0.144 44.880 45.100 -0.126 0.000 0.662 313 G HN 0.127 nan 8.290 nan 0.000 0.527 314 V N 2.260 121.980 119.914 -0.323 0.000 2.304 314 V HA 0.400 4.521 4.120 0.001 0.000 0.269 314 V C 0.781 176.665 176.094 -0.350 0.000 1.036 314 V CA -0.716 61.475 62.300 -0.182 0.000 0.840 314 V CB 0.964 32.644 31.823 -0.239 0.000 1.036 314 V HN 0.366 nan 8.190 nan 0.000 0.466 315 H N 4.998 124.092 119.070 0.040 0.000 2.505 315 H HA 0.192 4.749 4.556 0.001 0.000 0.289 315 H C 1.890 177.192 175.328 -0.044 0.000 1.052 315 H CA 0.213 56.252 56.048 -0.015 0.000 1.156 315 H CB 0.552 30.301 29.762 -0.022 0.000 1.507 315 H HN 0.785 nan 8.280 nan 0.000 0.548 316 I N -2.846 117.720 120.570 -0.006 0.000 2.530 316 I HA -0.175 3.996 4.170 0.001 0.000 0.257 316 I C 1.218 177.163 176.117 -0.286 0.000 1.179 316 I CA 1.406 62.600 61.300 -0.176 0.000 1.440 316 I CB -0.287 37.526 38.000 -0.312 0.000 1.087 316 I HN 0.035 nan 8.210 nan 0.000 0.440 317 W N 1.544 122.759 121.300 -0.142 0.000 3.239 317 W HA 0.171 4.831 4.660 0.000 0.000 0.348 317 W C 1.544 178.012 176.519 -0.084 0.000 1.183 317 W CA -0.411 56.863 57.345 -0.117 0.000 1.819 317 W CB 0.095 29.459 29.460 -0.159 0.000 1.091 317 W HN 0.061 nan 8.180 nan 0.000 0.629 318 D N 0.479 120.947 120.400 0.113 0.000 2.097 318 D HA -0.198 4.442 4.640 0.001 0.000 0.195 318 D C 1.558 177.883 176.300 0.042 0.000 0.989 318 D CA 1.586 55.639 54.000 0.088 0.000 0.827 318 D CB -0.345 40.508 40.800 0.088 0.000 0.966 318 D HN 0.082 nan 8.370 nan 0.000 0.456 319 D N 0.039 120.416 120.400 -0.037 0.000 2.218 319 D HA -0.075 4.565 4.640 0.001 0.000 0.204 319 D C 0.936 177.091 176.300 -0.241 0.000 0.976 319 D CA 0.729 54.664 54.000 -0.108 0.000 0.853 319 D CB -0.315 40.387 40.800 -0.164 0.000 0.939 319 D HN 0.256 nan 8.370 nan 0.000 0.481 320 N N -0.924 117.644 118.700 -0.219 0.000 2.236 320 N HA 0.153 4.893 4.740 0.001 0.000 0.196 320 N C 1.250 176.917 175.510 0.261 0.000 1.114 320 N CA 0.156 52.987 53.050 -0.365 0.000 0.859 320 N CB 1.056 39.408 38.487 -0.225 0.000 0.982 320 N HN 0.063 nan 8.380 nan 0.000 0.493 321 G N -0.447 108.503 108.800 0.250 0.000 3.441 321 G HA2 0.034 3.994 3.960 0.001 0.000 0.263 321 G HA3 0.034 3.994 3.960 0.001 0.000 0.263 321 G C 0.177 175.216 174.900 0.232 0.000 1.014 321 G CA -0.297 44.967 45.100 0.273 0.000 0.833 321 G HN 0.270 nan 8.290 nan 0.000 0.514 322 S N -0.218 115.621 115.700 0.231 0.000 2.593 322 S HA 0.285 4.755 4.470 0.001 0.000 0.269 322 S C 1.483 176.206 174.600 0.204 0.000 1.334 322 S CA -0.260 58.052 58.200 0.187 0.000 1.015 322 S CB 2.040 65.336 63.200 0.160 0.000 0.912 322 S HN 0.177 nan 8.310 nan 0.000 0.541 323 R N 1.741 122.331 120.500 0.149 0.000 2.105 323 R HA -0.055 4.285 4.340 0.001 0.000 0.239 323 R C 2.216 178.584 176.300 0.113 0.000 1.135 323 R CA 2.068 58.244 56.100 0.126 0.000 0.967 323 R CB -1.362 28.995 30.300 0.095 0.000 0.861 323 R HN 0.834 nan 8.270 nan 0.000 0.442 324 A N -0.310 122.583 122.820 0.122 0.000 1.858 324 A HA -0.119 4.201 4.320 0.001 0.000 0.216 324 A C 2.161 179.819 177.584 0.123 0.000 1.190 324 A CA 1.405 53.506 52.037 0.107 0.000 0.617 324 A CB -0.905 18.161 19.000 0.110 0.000 0.827 324 A HN 0.480 nan 8.150 nan 0.000 0.443 325 F N 0.105 120.092 119.950 0.061 0.000 2.146 325 F HA -0.100 4.427 4.527 0.001 0.000 0.298 325 F C 1.821 177.665 175.800 0.074 0.000 1.096 325 F CA 1.170 59.211 58.000 0.068 0.000 1.275 325 F CB -0.209 38.843 39.000 0.087 0.000 1.008 325 F HN 0.117 nan 8.300 nan 0.000 0.480 326 L N 0.535 121.828 121.223 0.117 0.000 2.012 326 L HA -0.258 4.082 4.340 0.001 0.000 0.210 326 L C 2.141 178.956 176.870 -0.092 0.000 1.073 326 L CA 1.806 56.673 54.840 0.045 0.000 0.748 326 L CB -1.382 40.780 42.059 0.171 0.000 0.891 326 L HN 0.130 nan 8.230 nan 0.000 0.431 327 D N -1.193 119.173 120.400 -0.057 0.000 2.144 327 D HA -0.123 4.518 4.640 0.001 0.000 0.200 327 D C 2.303 178.525 176.300 -0.129 0.000 0.978 327 D CA 1.426 55.380 54.000 -0.076 0.000 0.833 327 D CB -0.096 40.687 40.800 -0.029 0.000 0.961 327 D HN 0.429 nan 8.370 nan 0.000 0.470 328 S N 0.133 115.725 115.700 -0.180 0.000 2.469 328 S HA -0.075 4.395 4.470 0.001 0.000 0.238 328 S C 1.681 176.126 174.600 -0.258 0.000 0.998 328 S CA 0.509 58.588 58.200 -0.202 0.000 0.957 328 S CB 0.015 63.080 63.200 -0.225 0.000 0.764 328 S HN 0.063 nan 8.310 nan 0.000 0.514 329 R N 0.475 120.782 120.500 -0.322 0.000 2.312 329 R HA 0.257 4.598 4.340 0.001 0.000 0.205 329 R C 1.713 177.899 176.300 -0.189 0.000 0.904 329 R CA 0.636 56.570 56.100 -0.276 0.000 1.052 329 R CB -0.467 29.643 30.300 -0.317 0.000 1.014 329 R HN 0.643 nan 8.270 nan 0.000 0.503 330 G N 1.089 109.788 108.800 -0.168 0.000 2.176 330 G HA2 -0.246 3.714 3.960 0.001 0.000 0.253 330 G HA3 -0.246 3.714 3.960 0.001 0.000 0.253 330 G C 0.336 175.119 174.900 -0.195 0.000 0.979 330 G CA -0.011 44.999 45.100 -0.148 0.000 0.641 330 G HN 0.298 nan 8.290 nan 0.000 0.530 331 L N 2.488 123.571 121.223 -0.233 0.000 2.873 331 L HA 0.222 4.562 4.340 0.001 0.000 0.236 331 L C 2.337 179.078 176.870 -0.214 0.000 1.375 331 L CA 0.477 55.089 54.840 -0.380 0.000 1.239 331 L CB -0.386 41.443 42.059 -0.384 0.000 1.603 331 L HN 0.412 nan 8.230 nan 0.000 0.430 332 T N -4.033 110.430 114.554 -0.151 0.000 2.962 332 T HA -0.138 4.212 4.350 0.001 0.000 0.270 332 T C 1.236 175.921 174.700 -0.024 0.000 1.088 332 T CA 0.964 63.025 62.100 -0.065 0.000 1.127 332 T CB -0.003 68.832 68.868 -0.056 0.000 0.883 332 T HN 0.509 nan 8.240 nan 0.000 0.493 333 E N -0.442 119.728 120.200 -0.049 0.000 2.474 333 E HA 0.113 4.463 4.350 0.001 0.000 0.195 333 E C -0.570 176.144 176.600 0.191 0.000 1.039 333 E CA -0.342 56.083 56.400 0.041 0.000 0.881 333 E CB 0.194 29.907 29.700 0.021 0.000 0.970 333 E HN 0.490 nan 8.360 nan 0.000 0.486 334 Y N 2.414 122.756 120.300 0.071 0.000 2.402 334 Y HA 0.056 4.606 4.550 0.001 0.000 0.333 334 Y C 0.918 176.889 175.900 0.118 0.000 1.076 334 Y CA -1.325 56.844 58.100 0.114 0.000 1.299 334 Y CB 0.032 38.566 38.460 0.124 0.000 1.197 334 Y HN 0.036 nan 8.280 nan 0.000 0.517 335 E N 2.710 123.076 120.200 0.278 0.000 2.437 335 E HA -0.062 4.288 4.350 0.001 0.000 0.263 335 E C -0.239 176.504 176.600 0.238 0.000 1.030 335 E CA -0.378 56.148 56.400 0.209 0.000 0.934 335 E CB 0.535 30.346 29.700 0.186 0.000 0.943 335 E HN 0.721 nan 8.360 nan 0.000 0.444 336 E N 3.289 123.612 120.200 0.206 0.000 2.442 336 E HA -0.135 4.215 4.350 0.001 0.000 0.262 336 E C 0.101 176.841 176.600 0.232 0.000 1.004 336 E CA 0.185 56.704 56.400 0.200 0.000 0.928 336 E CB 0.285 30.076 29.700 0.152 0.000 0.937 336 E HN 0.641 nan 8.360 nan 0.000 0.446 337 M N 1.078 120.792 119.600 0.191 0.000 2.961 337 M HA -0.214 4.267 4.480 0.001 0.000 0.198 337 M C -0.520 175.896 176.300 0.194 0.000 0.610 337 M CA 0.767 56.141 55.300 0.123 0.000 0.755 337 M CB -2.133 30.427 32.600 -0.065 0.000 2.707 337 M HN 0.591 nan 8.290 nan 0.000 0.299 338 D N 1.670 122.210 120.400 0.233 0.000 2.365 338 D HA 0.452 5.092 4.640 0.001 0.000 0.237 338 D C 0.966 177.274 176.300 0.014 0.000 1.190 338 D CA -0.111 53.972 54.000 0.139 0.000 0.867 338 D CB 0.472 41.342 40.800 0.116 0.000 1.050 338 D HN 0.431 nan 8.370 nan 0.000 0.491 339 L N 3.054 124.253 121.223 -0.039 0.000 2.554 339 L HA 0.223 4.564 4.340 0.001 0.000 0.226 339 L C 1.557 178.299 176.870 -0.213 0.000 1.137 339 L CA 0.320 55.123 54.840 -0.060 0.000 0.863 339 L CB -0.695 41.270 42.059 -0.156 0.000 0.985 339 L HN 0.642 nan 8.230 nan 0.000 0.451 340 G N 0.819 109.244 108.800 -0.625 0.000 2.627 340 G HA2 -0.184 3.776 3.960 0.001 0.000 0.214 340 G HA3 -0.184 3.776 3.960 0.001 0.000 0.214 340 G C -2.582 171.515 174.900 -1.338 0.000 1.331 340 G CA -0.458 44.015 45.100 -1.044 0.000 0.891 340 G HN 0.014 nan 8.290 nan 0.000 0.539 341 P HA 0.351 nan 4.420 nan 0.000 0.226 341 P C 0.696 177.699 177.300 -0.495 0.000 1.783 341 P CA 0.470 62.858 63.100 -1.185 0.000 0.980 341 P CB -0.318 30.725 31.700 -1.095 0.000 1.967 342 V N -1.635 118.041 119.914 -0.397 0.000 3.170 342 V HA 0.215 4.335 4.120 0.001 0.000 0.309 342 V C 1.342 177.348 176.094 -0.147 0.000 1.071 342 V CA -0.569 61.582 62.300 -0.249 0.000 1.063 342 V CB -0.480 31.243 31.823 -0.167 0.000 1.123 342 V HN 0.185 nan 8.190 nan 0.000 0.464 343 Y N 2.273 122.486 120.300 -0.145 0.000 1.453 343 Y HA -0.422 4.128 4.550 0.001 0.000 0.106 343 Y C 2.540 177.991 175.900 -0.748 0.000 0.689 343 Y CA 3.118 60.971 58.100 -0.411 0.000 0.521 343 Y CB -2.059 36.085 38.460 -0.527 0.000 0.533 343 Y HN 0.850 nan 8.280 nan 0.000 0.775 344 G N -1.316 107.100 108.800 -0.641 0.000 2.545 344 G HA2 -0.347 3.613 3.960 0.001 0.000 0.222 344 G HA3 -0.347 3.613 3.960 0.001 0.000 0.222 344 G C 1.477 176.288 174.900 -0.150 0.000 1.126 344 G CA 1.298 46.063 45.100 -0.557 0.000 0.754 344 G HN 0.502 nan 8.290 nan 0.000 0.583 345 F N 1.000 120.822 119.950 -0.213 0.000 2.134 345 F HA -0.080 4.448 4.527 0.001 0.000 0.299 345 F C 2.901 178.712 175.800 0.017 0.000 1.097 345 F CA 1.905 59.857 58.000 -0.079 0.000 1.264 345 F CB 0.026 38.915 39.000 -0.185 0.000 1.001 345 F HN 0.079 nan 8.300 nan 0.000 0.479 346 Q N -0.506 119.426 119.800 0.220 0.000 2.119 346 Q HA -0.190 4.151 4.340 0.001 0.000 0.201 346 Q C 2.062 178.321 176.000 0.430 0.000 0.972 346 Q CA 1.442 57.411 55.803 0.276 0.000 0.847 346 Q CB -0.909 28.015 28.738 0.310 0.000 0.903 346 Q HN 0.533 nan 8.270 nan 0.000 0.433 347 W N 1.177 122.554 121.300 0.129 0.000 2.358 347 W HA -0.109 4.551 4.660 0.001 0.000 0.303 347 W C 1.984 178.439 176.519 -0.106 0.000 1.208 347 W CA 0.773 58.143 57.345 0.042 0.000 1.274 347 W CB -0.371 29.044 29.460 -0.075 0.000 1.138 347 W HN 0.138 nan 8.180 nan 0.000 0.515 348 R N -1.526 118.975 120.500 0.001 0.000 2.265 348 R HA 0.072 4.412 4.340 0.001 0.000 0.194 348 R C 0.147 175.970 176.300 -0.795 0.000 0.931 348 R CA 0.698 56.574 56.100 -0.372 0.000 1.032 348 R CB -0.530 29.494 30.300 -0.459 0.000 0.980 348 R HN 0.277 nan 8.270 nan 0.000 0.497 349 H N -0.932 117.984 119.070 -0.257 0.000 2.901 349 H HA 0.125 4.681 4.556 0.001 0.000 0.227 349 H C -0.846 174.343 175.328 -0.231 0.000 1.390 349 H CA -0.967 54.838 56.048 -0.404 0.000 1.120 349 H CB -0.444 28.692 29.762 -1.044 0.000 2.131 349 H HN -0.065 nan 8.280 nan 0.000 0.549 350 F N 1.968 121.896 119.950 -0.037 0.000 2.612 350 F HA 0.258 4.785 4.527 0.001 0.000 0.389 350 F C 1.509 177.356 175.800 0.078 0.000 1.055 350 F CA 2.054 60.094 58.000 0.066 0.000 1.232 350 F CB 0.443 39.504 39.000 0.101 0.000 1.044 350 F HN 0.622 nan 8.300 nan 0.000 0.560 351 G N 3.441 112.045 108.800 -0.327 0.000 2.253 351 G HA2 -0.201 3.759 3.960 0.001 0.000 0.251 351 G HA3 -0.201 3.759 3.960 0.001 0.000 0.251 351 G C 0.382 175.307 174.900 0.043 0.000 0.998 351 G CA 0.043 45.080 45.100 -0.105 0.000 0.621 351 G HN 1.366 nan 8.290 nan 0.000 0.524 352 A N 0.489 123.368 122.820 0.099 0.000 2.483 352 A HA 0.740 5.060 4.320 0.001 0.000 0.238 352 A C 1.033 178.743 177.584 0.211 0.000 1.070 352 A CA 1.135 53.259 52.037 0.145 0.000 0.770 352 A CB 0.307 19.352 19.000 0.076 0.000 1.008 352 A HN 2.131 nan 8.150 nan 0.000 0.497 353 A N 0.863 123.786 122.820 0.171 0.000 2.425 353 A HA 0.501 4.821 4.320 0.001 0.000 0.249 353 A C -0.437 177.266 177.584 0.199 0.000 1.084 353 A CA -0.031 52.094 52.037 0.147 0.000 0.781 353 A CB -0.017 19.046 19.000 0.106 0.000 1.019 353 A HN 0.990 nan 8.150 nan 0.000 0.490 354 Y N 1.226 121.493 120.300 -0.054 0.000 2.387 354 Y HA 0.449 5.000 4.550 0.001 0.000 0.336 354 Y C 1.336 177.229 175.900 -0.011 0.000 1.067 354 Y CA 0.495 58.491 58.100 -0.173 0.000 1.114 354 Y CB 1.984 40.159 38.460 -0.476 0.000 1.208 354 Y HN 0.846 nan 8.280 nan 0.000 0.458 355 T N 0.059 114.319 114.554 -0.491 0.000 3.272 355 T HA 0.261 4.611 4.350 0.001 0.000 0.247 355 T C -0.295 174.186 174.700 -0.365 0.000 0.990 355 T CA 0.456 62.393 62.100 -0.271 0.000 1.213 355 T CB 0.023 68.750 68.868 -0.236 0.000 1.124 355 T HN 0.732 nan 8.240 nan 0.000 0.401 356 H N 0.606 119.246 119.070 -0.717 0.000 3.037 356 H HA 0.346 4.903 4.556 0.001 0.000 0.355 356 H C -0.826 174.135 175.328 -0.612 0.000 1.263 356 H CA -0.838 54.866 56.048 -0.574 0.000 1.129 356 H CB 0.239 29.782 29.762 -0.366 0.000 1.861 356 H HN 0.618 nan 8.280 nan 0.000 0.546 357 H N 0.841 119.807 119.070 -0.173 0.000 2.972 357 H HA -0.009 4.548 4.556 0.001 0.000 0.343 357 H C -0.516 174.753 175.328 -0.099 0.000 1.054 357 H CA 0.986 57.000 56.048 -0.056 0.000 1.412 357 H CB 0.238 29.974 29.762 -0.043 0.000 1.385 357 H HN 0.796 nan 8.280 nan 0.000 0.600 358 D N -0.314 120.079 120.400 -0.012 0.000 2.981 358 D HA -0.156 4.484 4.640 0.001 0.000 0.223 358 D C 0.224 176.381 176.300 -0.239 0.000 1.151 358 D CA 1.045 55.005 54.000 -0.067 0.000 0.827 358 D CB -1.240 39.564 40.800 0.007 0.000 1.101 358 D HN 0.852 nan 8.370 nan 0.000 0.426 359 A N 0.348 122.893 122.820 -0.457 0.000 2.246 359 A HA 0.504 4.824 4.320 0.001 0.000 0.291 359 A C 0.439 177.609 177.584 -0.689 0.000 1.103 359 A CA -0.209 51.413 52.037 -0.692 0.000 0.844 359 A CB 0.661 18.932 19.000 -1.216 0.000 1.136 359 A HN 0.208 nan 8.150 nan 0.000 0.500 360 N N -1.318 116.997 118.700 -0.642 0.000 2.455 360 N HA 0.414 5.154 4.740 0.001 0.000 0.280 360 N C -1.106 173.975 175.510 -0.715 0.000 1.055 360 N CA -0.088 52.659 53.050 -0.505 0.000 0.961 360 N CB 0.370 38.656 38.487 -0.334 0.000 1.121 360 N HN 0.483 nan 8.380 nan 0.000 0.476 361 Y N 0.573 120.650 120.300 -0.371 0.000 2.696 361 Y HA 0.289 4.839 4.550 0.001 0.000 0.260 361 Y C -0.338 175.277 175.900 -0.475 0.000 1.165 361 Y CA -0.730 57.068 58.100 -0.504 0.000 1.189 361 Y CB -0.037 37.893 38.460 -0.883 0.000 1.180 361 Y HN 0.491 nan 8.280 nan 0.000 0.538 362 D N 0.711 120.882 120.400 -0.382 0.000 2.583 362 D HA 0.126 4.766 4.640 0.001 0.000 0.232 362 D C 1.498 177.542 176.300 -0.426 0.000 1.128 362 D CA 1.963 55.520 54.000 -0.738 0.000 0.859 362 D CB 0.717 40.748 40.800 -1.280 0.000 1.169 362 D HN 0.605 nan 8.370 nan 0.000 0.481 363 G N 2.035 110.749 108.800 -0.143 0.000 2.196 363 G HA2 -0.302 3.659 3.960 0.001 0.000 0.268 363 G HA3 -0.302 3.659 3.960 0.001 0.000 0.268 363 G C 0.200 175.186 174.900 0.143 0.000 0.975 363 G CA 0.168 45.391 45.100 0.203 0.000 0.648 363 G HN 0.468 nan 8.290 nan 0.000 0.538 364 Q N 0.318 120.191 119.800 0.122 0.000 2.256 364 Q HA 0.567 4.907 4.340 0.001 0.000 0.254 364 Q C 0.927 177.025 176.000 0.164 0.000 0.916 364 Q CA 0.584 56.456 55.803 0.115 0.000 0.932 364 Q CB 0.991 29.776 28.738 0.078 0.000 1.207 364 Q HN 1.654 nan 8.270 nan 0.000 0.426 365 G N 0.812 109.692 108.800 0.132 0.000 2.796 365 G HA2 -0.211 3.750 3.960 0.001 0.000 0.226 365 G HA3 -0.211 3.750 3.960 0.001 0.000 0.226 365 G C -0.729 174.261 174.900 0.150 0.000 1.381 365 G CA -0.504 44.683 45.100 0.145 0.000 0.867 365 G HN 0.478 nan 8.290 nan 0.000 0.552 366 V N 0.974 120.997 119.914 0.182 0.000 2.432 366 V HA 0.415 4.535 4.120 0.001 0.000 0.275 366 V C 0.248 176.379 176.094 0.062 0.000 1.043 366 V CA 0.099 62.472 62.300 0.123 0.000 0.925 366 V CB 1.696 33.585 31.823 0.110 0.000 0.985 366 V HN 0.765 nan 8.190 nan 0.000 0.466 367 D N 3.907 124.316 120.400 0.015 0.000 2.494 367 D HA 0.185 4.825 4.640 0.001 0.000 0.217 367 D C 1.112 177.402 176.300 -0.017 0.000 1.153 367 D CA 0.000 53.971 54.000 -0.049 0.000 0.954 367 D CB 1.037 41.810 40.800 -0.044 0.000 1.034 367 D HN 0.604 nan 8.370 nan 0.000 0.518 368 Q N 2.274 122.078 119.800 0.006 0.000 2.124 368 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 368 Q C 1.740 177.720 176.000 -0.034 0.000 0.977 368 Q CA 0.835 56.649 55.803 0.019 0.000 0.850 368 Q CB 0.405 29.200 28.738 0.095 0.000 0.901 368 Q HN 0.547 nan 8.270 nan 0.000 0.429 369 I N 1.299 121.798 120.570 -0.118 0.000 2.179 369 I HA -0.252 3.918 4.170 0.001 0.000 0.242 369 I C 2.315 178.372 176.117 -0.099 0.000 1.088 369 I CA 1.478 62.673 61.300 -0.174 0.000 1.357 369 I CB -1.065 36.818 38.000 -0.195 0.000 1.051 369 I HN 0.231 nan 8.210 nan 0.000 0.409 370 K N 1.100 121.463 120.400 -0.062 0.000 2.032 370 K HA -0.187 4.134 4.320 0.001 0.000 0.209 370 K C 2.177 178.753 176.600 -0.040 0.000 1.048 370 K CA 1.796 58.060 56.287 -0.039 0.000 0.927 370 K CB -0.037 32.453 32.500 -0.016 0.000 0.712 370 K HN 0.268 nan 8.250 nan 0.000 0.441 371 A N 0.992 123.795 122.820 -0.029 0.000 1.972 371 A HA -0.119 4.202 4.320 0.001 0.000 0.219 371 A C 2.034 179.603 177.584 -0.025 0.000 1.169 371 A CA 1.307 53.333 52.037 -0.019 0.000 0.635 371 A CB -0.438 18.560 19.000 -0.003 0.000 0.810 371 A HN 0.354 nan 8.150 nan 0.000 0.446 372 I N -0.748 119.803 120.570 -0.031 0.000 2.439 372 I HA -0.156 4.015 4.170 0.001 0.000 0.251 372 I C 2.245 178.293 176.117 -0.114 0.000 1.139 372 I CA 0.588 61.861 61.300 -0.044 0.000 1.438 372 I CB -0.087 37.906 38.000 -0.012 0.000 1.085 372 I HN 0.142 nan 8.210 nan 0.000 0.427 373 V N 0.577 120.417 119.914 -0.122 0.000 2.295 373 V HA -0.248 3.872 4.120 0.001 0.000 0.246 373 V C 2.515 178.555 176.094 -0.090 0.000 1.049 373 V CA 1.713 63.936 62.300 -0.128 0.000 1.024 373 V CB -0.524 31.240 31.823 -0.099 0.000 0.648 373 V HN 0.379 nan 8.190 nan 0.000 0.447 374 E N 0.158 120.320 120.200 -0.063 0.000 2.051 374 E HA -0.162 4.188 4.350 0.001 0.000 0.192 374 E C 2.369 178.942 176.600 -0.046 0.000 0.991 374 E CA 1.928 58.299 56.400 -0.048 0.000 0.799 374 E CB -0.729 28.950 29.700 -0.036 0.000 0.748 374 E HN 0.598 nan 8.360 nan 0.000 0.449 375 T N 1.970 116.500 114.554 -0.041 0.000 2.746 375 T HA -0.137 4.214 4.350 0.001 0.000 0.267 375 T C 1.822 176.496 174.700 -0.044 0.000 1.039 375 T CA 0.650 62.731 62.100 -0.032 0.000 1.142 375 T CB -0.238 68.621 68.868 -0.015 0.000 0.866 375 T HN -0.008 nan 8.240 nan 0.000 0.444 376 L N 1.203 122.388 121.223 -0.063 0.000 2.127 376 L HA -0.047 4.293 4.340 0.001 0.000 0.211 376 L C 2.161 178.990 176.870 -0.069 0.000 1.089 376 L CA 1.713 56.507 54.840 -0.077 0.000 0.757 376 L CB -0.604 41.376 42.059 -0.132 0.000 0.899 376 L HN 0.242 nan 8.230 nan 0.000 0.434 377 K N -1.902 118.458 120.400 -0.065 0.000 2.243 377 K HA 0.006 4.327 4.320 0.001 0.000 0.201 377 K C 1.769 178.342 176.600 -0.045 0.000 1.051 377 K CA 1.350 57.603 56.287 -0.056 0.000 0.970 377 K CB 0.113 32.579 32.500 -0.056 0.000 0.755 377 K HN 0.508 nan 8.250 nan 0.000 0.465 378 T N -2.430 112.099 114.554 -0.041 0.000 3.038 378 T HA 0.035 4.385 4.350 0.001 0.000 0.244 378 T C 0.716 175.397 174.700 -0.033 0.000 1.016 378 T CA 0.113 62.192 62.100 -0.034 0.000 1.098 378 T CB 0.060 68.910 68.868 -0.029 0.000 0.954 378 T HN -0.067 nan 8.240 nan 0.000 0.469 379 N N 2.311 120.991 118.700 -0.034 0.000 2.752 379 N HA 0.362 5.103 4.740 0.001 0.000 0.260 379 N C -2.198 173.287 175.510 -0.041 0.000 1.562 379 N CA -2.059 50.971 53.050 -0.034 0.000 0.788 379 N CB 1.570 40.042 38.487 -0.025 0.000 1.192 379 N HN 0.010 nan 8.380 nan 0.000 0.503 380 P HA -0.063 nan 4.420 nan 0.000 0.223 380 P C -0.064 177.173 177.300 -0.105 0.000 1.144 380 P CA 0.986 64.042 63.100 -0.073 0.000 0.783 380 P CB 0.505 32.157 31.700 -0.079 0.000 0.771 381 D N -0.559 119.785 120.400 -0.092 0.000 2.349 381 D HA -0.026 4.614 4.640 0.001 0.000 0.215 381 D C 0.750 177.013 176.300 -0.062 0.000 1.016 381 D CA 0.299 54.234 54.000 -0.109 0.000 0.870 381 D CB -0.575 40.178 40.800 -0.079 0.000 0.917 381 D HN 0.247 nan 8.370 nan 0.000 0.524 382 D N 0.836 121.214 120.400 -0.036 0.000 2.506 382 D HA -0.074 4.566 4.640 0.001 0.000 0.234 382 D C 0.423 176.734 176.300 0.018 0.000 1.143 382 D CA 0.283 54.279 54.000 -0.006 0.000 0.871 382 D CB 0.747 41.546 40.800 -0.001 0.000 1.190 382 D HN 0.042 nan 8.370 nan 0.000 0.459 383 R N 2.401 122.919 120.500 0.030 0.000 2.546 383 R HA 0.164 4.504 4.340 0.001 0.000 0.320 383 R C 0.545 176.872 176.300 0.045 0.000 1.021 383 R CA -0.205 55.927 56.100 0.053 0.000 1.088 383 R CB 0.576 30.906 30.300 0.050 0.000 1.278 383 R HN 0.130 nan 8.270 nan 0.000 0.557 384 R N 0.115 120.639 120.500 0.040 0.000 2.509 384 R HA 0.282 4.622 4.340 0.001 0.000 0.300 384 R C 0.052 176.385 176.300 0.056 0.000 0.985 384 R CA 0.055 56.175 56.100 0.033 0.000 1.092 384 R CB 0.446 30.757 30.300 0.019 0.000 1.237 384 R HN 0.064 nan 8.270 nan 0.000 0.546 385 M N 2.398 122.052 119.600 0.090 0.000 3.442 385 M HA 0.218 4.698 4.480 0.001 0.000 0.232 385 M C -0.667 175.763 176.300 0.215 0.000 1.508 385 M CA 0.359 55.752 55.300 0.154 0.000 1.647 385 M CB -0.369 32.341 32.600 0.183 0.000 1.126 385 M HN 0.052 nan 8.290 nan 0.000 0.557 386 L N -0.920 120.392 121.223 0.149 0.000 2.409 386 L HA 0.953 5.293 4.340 0.001 0.000 0.255 386 L C -1.073 175.881 176.870 0.139 0.000 1.027 386 L CA -1.252 53.642 54.840 0.089 0.000 0.834 386 L CB 1.916 43.940 42.059 -0.059 0.000 1.426 386 L HN 0.305 nan 8.230 nan 0.000 0.411 387 F N -1.757 118.178 119.950 -0.025 0.000 2.613 387 F HA 0.928 5.455 4.527 0.001 0.000 0.314 387 F C -0.544 175.241 175.800 -0.025 0.000 1.075 387 F CA -0.645 57.320 58.000 -0.058 0.000 0.945 387 F CB 1.965 40.886 39.000 -0.132 0.000 1.310 387 F HN 0.699 nan 8.300 nan 0.000 0.467 388 T N -0.005 114.696 114.554 0.245 0.000 2.900 388 T HA 0.691 5.042 4.350 0.001 0.000 0.303 388 T C -0.276 174.793 174.700 0.615 0.000 1.142 388 T CA -0.004 62.280 62.100 0.307 0.000 1.007 388 T CB 1.685 70.698 68.868 0.241 0.000 1.156 388 T HN 1.182 nan 8.240 nan 0.000 0.490 389 A N 2.204 125.409 122.820 0.642 0.000 2.431 389 A HA 0.281 4.602 4.320 0.001 0.000 0.239 389 A C 0.516 178.335 177.584 0.391 0.000 1.230 389 A CA -0.500 51.889 52.037 0.586 0.000 0.928 389 A CB 0.100 19.429 19.000 0.547 0.000 1.006 389 A HN 0.790 nan 8.150 nan 0.000 0.520 390 W N 2.486 123.953 121.300 0.277 0.000 2.351 390 W HA 0.252 4.912 4.660 0.001 0.000 0.421 390 W C -0.717 175.948 176.519 0.243 0.000 1.000 390 W CA -0.274 57.185 57.345 0.191 0.000 1.610 390 W CB 0.132 29.685 29.460 0.154 0.000 1.700 390 W HN 0.256 nan 8.180 nan 0.000 0.351 391 N N 6.592 125.210 118.700 -0.137 0.000 2.621 391 N HA 0.213 4.953 4.740 0.001 0.000 0.237 391 N C -1.855 173.472 175.510 -0.306 0.000 0.997 391 N CA -2.137 50.825 53.050 -0.146 0.000 0.918 391 N CB 1.446 39.669 38.487 -0.441 0.000 1.122 391 N HN 0.051 nan 8.380 nan 0.000 0.510 392 P HA -0.097 nan 4.420 nan 0.000 0.217 392 P C 1.044 178.259 177.300 -0.141 0.000 1.148 392 P CA 1.149 64.133 63.100 -0.193 0.000 0.828 392 P CB 0.449 32.154 31.700 0.008 0.000 0.783 393 S N -0.823 114.818 115.700 -0.099 0.000 2.382 393 S HA -0.099 4.371 4.470 0.001 0.000 0.228 393 S C 1.933 176.457 174.600 -0.126 0.000 1.027 393 S CA 1.438 59.588 58.200 -0.084 0.000 0.991 393 S CB -0.743 62.425 63.200 -0.053 0.000 0.823 393 S HN 0.184 nan 8.310 nan 0.000 0.469 394 A N 0.655 123.361 122.820 -0.191 0.000 2.220 394 A HA 0.320 4.640 4.320 0.001 0.000 0.211 394 A C 1.763 179.216 177.584 -0.218 0.000 1.176 394 A CA -0.063 51.855 52.037 -0.198 0.000 0.834 394 A CB -0.245 18.613 19.000 -0.236 0.000 0.868 394 A HN 0.315 nan 8.150 nan 0.000 0.488 395 L N 0.483 121.547 121.223 -0.265 0.000 2.011 395 L HA -0.188 4.153 4.340 0.001 0.000 0.225 395 L C -0.460 176.302 176.870 -0.179 0.000 1.084 395 L CA 2.797 57.468 54.840 -0.282 0.000 0.791 395 L CB -2.132 39.722 42.059 -0.341 0.000 0.898 395 L HN 0.200 nan 8.230 nan 0.000 0.440 396 P HA -0.161 nan 4.420 nan 0.000 0.218 396 P C 1.226 178.462 177.300 -0.107 0.000 1.146 396 P CA 1.371 64.407 63.100 -0.107 0.000 0.813 396 P CB -0.101 31.545 31.700 -0.091 0.000 0.778 397 R N -1.861 118.573 120.500 -0.110 0.000 2.310 397 R HA 0.222 4.563 4.340 0.001 0.000 0.202 397 R C 0.717 176.998 176.300 -0.032 0.000 0.933 397 R CA 0.198 56.252 56.100 -0.077 0.000 1.054 397 R CB -0.208 30.056 30.300 -0.060 0.000 0.985 397 R HN 0.341 nan 8.270 nan 0.000 0.489 398 M N -0.288 119.266 119.600 -0.077 0.000 2.233 398 M HA 0.234 4.714 4.480 0.001 0.000 0.355 398 M C 1.289 177.630 176.300 0.068 0.000 1.191 398 M CA -0.294 54.976 55.300 -0.050 0.000 1.101 398 M CB 1.738 34.267 32.600 -0.119 0.000 1.592 398 M HN -0.015 nan 8.290 nan 0.000 0.461 399 A N 4.423 127.338 122.820 0.159 0.000 1.917 399 A HA 0.019 4.339 4.320 0.001 0.000 0.219 399 A C 0.728 178.551 177.584 0.399 0.000 1.182 399 A CA 1.440 53.671 52.037 0.323 0.000 0.633 399 A CB -0.089 19.151 19.000 0.400 0.000 0.819 399 A HN 0.730 nan 8.150 nan 0.000 0.448 400 L N -0.989 120.426 121.223 0.320 0.000 2.434 400 L HA 0.381 4.721 4.340 0.001 0.000 0.260 400 L C -2.741 174.203 176.870 0.122 0.000 0.983 400 L CA -2.278 52.737 54.840 0.292 0.000 0.820 400 L CB 2.722 45.019 42.059 0.397 0.000 1.361 400 L HN -0.005 nan 8.230 nan 0.000 0.410 401 P HA 0.217 nan 4.420 nan 0.000 0.279 401 P C -2.654 174.667 177.300 0.035 0.000 1.239 401 P CA -1.468 61.612 63.100 -0.033 0.000 0.789 401 P CB 0.229 31.936 31.700 0.011 0.000 0.933 402 P HA -0.046 nan 4.420 nan 0.000 0.265 402 P C 0.495 177.962 177.300 0.279 0.000 1.187 402 P CA -0.029 62.964 63.100 -0.179 0.000 0.766 402 P CB 0.749 32.335 31.700 -0.190 0.000 0.820 403 C N 2.978 122.482 119.300 0.341 0.000 2.519 403 C HA 0.098 4.558 4.460 0.001 0.000 0.297 403 C C 1.038 176.219 174.990 0.318 0.000 1.414 403 C CA 0.535 59.753 59.018 0.333 0.000 1.893 403 C CB -1.458 26.485 27.740 0.339 0.000 2.134 403 C HN 0.755 nan 8.230 nan 0.000 0.580 404 H N 1.599 120.950 119.070 0.469 0.000 2.846 404 H HA 0.497 5.053 4.556 0.001 0.000 0.278 404 H C 0.219 175.840 175.328 0.488 0.000 1.117 404 H CA -0.313 55.917 56.048 0.304 0.000 1.406 404 H CB 0.121 30.021 29.762 0.231 0.000 1.445 404 H HN 0.421 nan 8.280 nan 0.000 0.469 405 L N 1.142 122.594 121.223 0.381 0.000 2.858 405 L HA 0.479 4.819 4.340 0.001 0.000 0.251 405 L C -0.575 176.460 176.870 0.275 0.000 1.149 405 L CA -0.176 54.909 54.840 0.409 0.000 0.955 405 L CB 0.347 42.658 42.059 0.419 0.000 1.289 405 L HN 0.491 nan 8.230 nan 0.000 0.542 406 L N 0.745 122.034 121.223 0.110 0.000 2.505 406 L HA 0.939 5.280 4.340 0.001 0.000 0.259 406 L C -1.460 175.203 176.870 -0.345 0.000 0.952 406 L CA -0.305 54.459 54.840 -0.127 0.000 0.840 406 L CB 2.172 44.203 42.059 -0.048 0.000 1.358 406 L HN 0.095 nan 8.230 nan 0.000 0.409 407 A N 3.663 126.065 122.820 -0.696 0.000 2.488 407 A HA 0.751 5.071 4.320 0.001 0.000 0.298 407 A C -1.653 175.555 177.584 -0.627 0.000 1.044 407 A CA -0.464 51.140 52.037 -0.722 0.000 0.693 407 A CB 1.870 20.314 19.000 -0.928 0.000 1.272 407 A HN 0.645 nan 8.150 nan 0.000 0.402 408 Q N 1.414 120.932 119.800 -0.470 0.000 2.356 408 Q HA 0.713 5.054 4.340 0.001 0.000 0.270 408 Q C -1.863 173.940 176.000 -0.328 0.000 1.058 408 Q CA -0.496 55.147 55.803 -0.267 0.000 0.802 408 Q CB 1.493 30.156 28.738 -0.125 0.000 1.303 408 Q HN 0.631 nan 8.270 nan 0.000 0.444 409 F N 1.999 121.991 119.950 0.070 0.000 2.440 409 F HA 0.565 5.092 4.527 0.000 0.000 0.328 409 F C -0.586 175.315 175.800 0.169 0.000 1.070 409 F CA -0.520 57.546 58.000 0.110 0.000 1.011 409 F CB 1.313 40.369 39.000 0.093 0.000 1.226 409 F HN 0.523 nan 8.300 nan 0.000 0.491 410 Y N 0.507 120.933 120.300 0.210 0.000 2.544 410 Y HA 0.712 5.262 4.550 0.000 0.000 0.342 410 Y C -1.954 174.007 175.900 0.103 0.000 1.062 410 Y CA -1.069 57.098 58.100 0.112 0.000 1.023 410 Y CB 1.696 40.192 38.460 0.060 0.000 1.308 410 Y HN 0.341 nan 8.280 nan 0.000 0.457 411 V N 4.201 123.902 119.914 -0.355 0.000 2.709 411 V HA 0.773 4.894 4.120 0.001 0.000 0.308 411 V C -1.257 174.639 176.094 -0.330 0.000 1.062 411 V CA -0.412 61.766 62.300 -0.204 0.000 0.901 411 V CB 1.819 33.566 31.823 -0.126 0.000 1.003 411 V HN 0.846 nan 8.190 nan 0.000 0.425 412 S N 2.432 118.080 115.700 -0.087 0.000 2.543 412 S HA 0.537 5.007 4.470 0.001 0.000 0.273 412 S C -0.371 174.237 174.600 0.012 0.000 1.152 412 S CA -0.808 57.368 58.200 -0.039 0.000 0.910 412 S CB 1.620 64.868 63.200 0.081 0.000 1.105 412 S HN 0.797 nan 8.310 nan 0.000 0.465 413 N N 1.088 119.788 118.700 0.000 0.000 2.708 413 N HA -0.183 4.558 4.740 0.001 0.000 0.249 413 N C 0.984 176.498 175.510 0.007 0.000 1.097 413 N CA 1.719 54.775 53.050 0.009 0.000 0.710 413 N CB -1.676 36.825 38.487 0.024 0.000 1.032 413 N HN 2.147 nan 8.380 nan 0.000 0.551 414 G N -1.005 107.791 108.800 -0.006 0.000 2.153 414 G HA2 -0.327 3.634 3.960 0.001 0.000 0.252 414 G HA3 -0.327 3.634 3.960 0.001 0.000 0.252 414 G C -0.272 174.632 174.900 0.008 0.000 0.994 414 G CA 0.789 45.886 45.100 -0.006 0.000 0.698 414 G HN 0.613 nan 8.290 nan 0.000 0.521 415 E N -0.837 119.378 120.200 0.025 0.000 2.199 415 E HA 0.584 4.934 4.350 0.001 0.000 0.269 415 E C -0.642 176.002 176.600 0.074 0.000 0.899 415 E CA -1.138 55.291 56.400 0.049 0.000 0.772 415 E CB 2.206 31.945 29.700 0.064 0.000 1.155 415 E HN 0.133 nan 8.360 nan 0.000 0.408 416 L N 1.965 123.240 121.223 0.087 0.000 2.276 416 L HA 0.350 4.690 4.340 0.001 0.000 0.286 416 L C -0.809 176.182 176.870 0.202 0.000 1.061 416 L CA 0.207 55.132 54.840 0.142 0.000 0.807 416 L CB 1.210 43.336 42.059 0.112 0.000 1.177 416 L HN 0.352 nan 8.230 nan 0.000 0.429 417 S N 3.647 119.506 115.700 0.264 0.000 2.568 417 S HA 0.741 5.212 4.470 0.001 0.000 0.302 417 S C -1.247 173.481 174.600 0.214 0.000 1.082 417 S CA -0.586 57.747 58.200 0.221 0.000 1.009 417 S CB 1.618 64.939 63.200 0.203 0.000 1.069 417 S HN 0.862 nan 8.310 nan 0.000 0.500 418 C N 3.371 122.716 119.300 0.076 0.000 2.783 418 C HA 0.805 5.265 4.460 0.001 0.000 0.312 418 C C -0.954 173.961 174.990 -0.125 0.000 1.182 418 C CA -0.694 58.243 59.018 -0.134 0.000 1.432 418 C CB 0.803 28.399 27.740 -0.240 0.000 1.933 418 C HN 1.014 nan 8.230 nan 0.000 0.473 419 M N 5.570 125.047 119.600 -0.204 0.000 2.321 419 M HA 0.726 5.206 4.480 0.001 0.000 0.315 419 M C -1.598 174.574 176.300 -0.213 0.000 1.052 419 M CA -0.589 54.623 55.300 -0.146 0.000 0.936 419 M CB 1.527 34.062 32.600 -0.109 0.000 1.639 419 M HN 0.768 nan 8.290 nan 0.000 0.433 420 L N 5.423 126.522 121.223 -0.207 0.000 2.317 420 L HA 0.536 4.877 4.340 0.001 0.000 0.281 420 L C -2.125 174.660 176.870 -0.141 0.000 1.024 420 L CA -0.231 54.403 54.840 -0.343 0.000 0.810 420 L CB 1.447 43.078 42.059 -0.714 0.000 1.240 420 L HN 0.740 nan 8.230 nan 0.000 0.427 421 Y N 4.119 124.304 120.300 -0.192 0.000 2.328 421 Y HA 0.508 5.058 4.550 0.000 0.000 0.337 421 Y C -0.586 175.291 175.900 -0.038 0.000 0.966 421 Y CA -0.164 57.876 58.100 -0.100 0.000 1.136 421 Y CB 1.019 39.407 38.460 -0.120 0.000 1.170 421 Y HN 0.745 nan 8.280 nan 0.000 0.470 422 Q N 6.801 126.241 119.800 -0.600 0.000 2.327 422 Q HA 0.280 4.620 4.340 0.001 0.000 0.270 422 Q C 0.615 176.379 176.000 -0.392 0.000 1.022 422 Q CA -0.740 54.913 55.803 -0.249 0.000 0.773 422 Q CB 1.187 29.930 28.738 0.007 0.000 1.251 422 Q HN 1.000 nan 8.270 nan 0.000 0.457 423 R N 1.260 121.706 120.500 -0.091 0.000 2.090 423 R HA 0.081 4.421 4.340 0.001 0.000 0.228 423 R C 0.444 176.798 176.300 0.090 0.000 1.110 423 R CA 0.706 56.830 56.100 0.040 0.000 0.973 423 R CB 0.207 30.572 30.300 0.109 0.000 0.869 423 R HN 0.266 nan 8.270 nan 0.000 0.440 424 S N -0.018 115.755 115.700 0.122 0.000 2.647 424 S HA 0.460 4.930 4.470 0.001 0.000 0.300 424 S C -1.355 173.330 174.600 0.141 0.000 1.129 424 S CA -0.886 57.435 58.200 0.202 0.000 1.029 424 S CB 1.409 64.767 63.200 0.263 0.000 1.007 424 S HN 0.367 nan 8.310 nan 0.000 0.484 425 C N 4.055 123.345 119.300 -0.016 0.000 2.356 425 C HA 0.476 4.936 4.460 0.001 0.000 0.324 425 C C -0.255 174.407 174.990 -0.547 0.000 1.167 425 C CA -1.203 57.716 59.018 -0.166 0.000 1.420 425 C CB 0.202 27.865 27.740 -0.129 0.000 2.036 425 C HN 0.881 nan 8.230 nan 0.000 0.435 426 D N 3.888 124.155 120.400 -0.222 0.000 2.374 426 D HA 0.146 4.786 4.640 0.001 0.000 0.240 426 D C 1.217 177.538 176.300 0.036 0.000 1.229 426 D CA -0.279 53.673 54.000 -0.080 0.000 0.895 426 D CB 0.600 41.565 40.800 0.274 0.000 1.046 426 D HN 0.357 nan 8.370 nan 0.000 0.498 427 M N 2.776 122.368 119.600 -0.014 0.000 2.149 427 M HA -0.038 4.442 4.480 0.001 0.000 0.261 427 M C 1.946 178.403 176.300 0.261 0.000 1.064 427 M CA 1.241 56.610 55.300 0.114 0.000 1.102 427 M CB -1.323 31.268 32.600 -0.014 0.000 1.369 427 M HN 0.502 nan 8.290 nan 0.000 0.408 428 G N -0.038 108.909 108.800 0.244 0.000 2.424 428 G HA2 -0.074 3.887 3.960 0.001 0.000 0.214 428 G HA3 -0.074 3.887 3.960 0.001 0.000 0.214 428 G C 1.593 176.590 174.900 0.163 0.000 1.202 428 G CA 0.323 45.558 45.100 0.225 0.000 0.793 428 G HN 0.434 nan 8.290 nan 0.000 0.534 429 L N 0.188 121.504 121.223 0.154 0.000 2.463 429 L HA 0.284 4.625 4.340 0.001 0.000 0.219 429 L C 2.800 179.739 176.870 0.115 0.000 1.088 429 L CA 0.599 55.498 54.840 0.097 0.000 0.849 429 L CB 0.059 42.147 42.059 0.049 0.000 1.012 429 L HN 0.343 nan 8.230 nan 0.000 0.468 430 G N -0.275 108.611 108.800 0.145 0.000 2.599 430 G HA2 -0.046 3.914 3.960 0.001 0.000 0.210 430 G HA3 -0.046 3.914 3.960 0.001 0.000 0.210 430 G C 1.476 176.505 174.900 0.215 0.000 1.177 430 G CA 0.435 45.621 45.100 0.144 0.000 0.835 430 G HN -0.020 nan 8.290 nan 0.000 0.575 431 V N 2.569 122.612 119.914 0.214 0.000 2.252 431 V HA -0.199 3.921 4.120 0.001 0.000 0.255 431 V C 0.307 176.500 176.094 0.164 0.000 1.071 431 V CA 2.758 65.212 62.300 0.255 0.000 1.050 431 V CB -1.310 30.701 31.823 0.313 0.000 0.654 431 V HN 0.303 nan 8.190 nan 0.000 0.448 432 P HA -0.185 nan 4.420 nan 0.000 0.215 432 P C 1.728 179.041 177.300 0.022 0.000 1.153 432 P CA 1.547 64.610 63.100 -0.062 0.000 0.853 432 P CB -0.151 31.509 31.700 -0.066 0.000 0.788 433 F N 0.515 120.462 119.950 -0.006 0.000 2.134 433 F HA -0.191 4.336 4.527 0.001 0.000 0.299 433 F C 1.758 177.553 175.800 -0.009 0.000 1.097 433 F CA 1.646 59.650 58.000 0.006 0.000 1.264 433 F CB -0.656 38.366 39.000 0.037 0.000 1.001 433 F HN -0.128 nan 8.300 nan 0.000 0.479 434 N N 0.383 119.251 118.700 0.281 0.000 2.188 434 N HA -0.151 4.589 4.740 0.001 0.000 0.184 434 N C 1.865 177.353 175.510 -0.037 0.000 1.018 434 N CA 1.525 54.669 53.050 0.156 0.000 0.858 434 N CB -0.151 38.403 38.487 0.111 0.000 0.989 434 N HN 0.280 nan 8.380 nan 0.000 0.426 435 I N 0.927 121.403 120.570 -0.157 0.000 2.226 435 I HA -0.247 3.923 4.170 0.001 0.000 0.245 435 I C 2.428 178.403 176.117 -0.237 0.000 1.100 435 I CA 0.783 61.894 61.300 -0.314 0.000 1.374 435 I CB -0.312 37.371 38.000 -0.527 0.000 1.057 435 I HN 0.177 nan 8.210 nan 0.000 0.413 436 A N -0.207 122.489 122.820 -0.208 0.000 1.877 436 A HA -0.247 4.074 4.320 0.001 0.000 0.216 436 A C 2.490 180.016 177.584 -0.098 0.000 1.186 436 A CA 2.198 54.147 52.037 -0.147 0.000 0.620 436 A CB -0.946 17.955 19.000 -0.165 0.000 0.822 436 A HN 0.388 nan 8.150 nan 0.000 0.443 437 S N -1.586 114.017 115.700 -0.161 0.000 2.359 437 S HA -0.220 4.250 4.470 0.001 0.000 0.223 437 S C 1.895 176.436 174.600 -0.099 0.000 1.039 437 S CA 1.909 60.029 58.200 -0.132 0.000 1.042 437 S CB -0.540 62.654 63.200 -0.010 0.000 0.915 437 S HN 0.621 nan 8.310 nan 0.000 0.439 438 Y N 1.207 121.461 120.300 -0.077 0.000 2.457 438 Y HA 0.215 4.765 4.550 0.000 0.000 0.292 438 Y C 2.543 178.437 175.900 -0.009 0.000 1.125 438 Y CA 0.516 58.596 58.100 -0.034 0.000 1.254 438 Y CB -0.420 37.971 38.460 -0.116 0.000 1.012 438 Y HN 0.387 nan 8.280 nan 0.000 0.555 439 A N 0.078 122.933 122.820 0.058 0.000 1.858 439 A HA -0.207 4.113 4.320 0.001 0.000 0.216 439 A C 2.106 179.735 177.584 0.074 0.000 1.190 439 A CA 1.701 53.758 52.037 0.033 0.000 0.617 439 A CB -1.051 17.911 19.000 -0.062 0.000 0.827 439 A HN 0.424 nan 8.150 nan 0.000 0.443 440 L N -0.613 120.663 121.223 0.090 0.000 2.042 440 L HA -0.146 4.195 4.340 0.001 0.000 0.210 440 L C 2.228 179.161 176.870 0.105 0.000 1.076 440 L CA 2.182 57.107 54.840 0.142 0.000 0.749 440 L CB -0.732 41.425 42.059 0.164 0.000 0.893 440 L HN 0.360 nan 8.230 nan 0.000 0.432 441 L N -0.721 120.537 121.223 0.059 0.000 1.989 441 L HA -0.213 4.127 4.340 0.001 0.000 0.211 441 L C 2.367 179.337 176.870 0.168 0.000 1.071 441 L CA 2.638 57.527 54.840 0.083 0.000 0.749 441 L CB -1.241 40.813 42.059 -0.008 0.000 0.890 441 L HN 0.379 nan 8.230 nan 0.000 0.431 442 T N 0.074 114.761 114.554 0.222 0.000 2.720 442 T HA -0.187 4.163 4.350 0.001 0.000 0.268 442 T C 1.990 176.781 174.700 0.152 0.000 1.037 442 T CA 2.025 64.302 62.100 0.294 0.000 1.144 442 T CB -0.403 68.615 68.868 0.251 0.000 0.864 442 T HN 0.340 nan 8.240 nan 0.000 0.444 443 I N 0.571 121.208 120.570 0.112 0.000 2.142 443 I HA -0.149 4.022 4.170 0.001 0.000 0.240 443 I C 2.337 178.451 176.117 -0.005 0.000 1.078 443 I CA 1.301 62.646 61.300 0.074 0.000 1.343 443 I CB -0.423 37.657 38.000 0.134 0.000 1.046 443 I HN 0.196 nan 8.210 nan 0.000 0.405 444 L N 0.229 121.450 121.223 -0.003 0.000 2.017 444 L HA -0.234 4.107 4.340 0.001 0.000 0.208 444 L C 2.531 179.315 176.870 -0.144 0.000 1.073 444 L CA 1.104 55.868 54.840 -0.126 0.000 0.745 444 L CB -0.488 41.520 42.059 -0.084 0.000 0.894 444 L HN 0.235 nan 8.230 nan 0.000 0.432 445 I N 0.184 120.699 120.570 -0.092 0.000 2.361 445 I HA -0.247 3.924 4.170 0.001 0.000 0.251 445 I C 2.796 178.813 176.117 -0.166 0.000 1.133 445 I CA 1.530 62.727 61.300 -0.171 0.000 1.413 445 I CB -1.540 36.276 38.000 -0.306 0.000 1.073 445 I HN 0.193 nan 8.210 nan 0.000 0.424 446 A N 1.008 123.767 122.820 -0.103 0.000 1.898 446 A HA -0.200 4.120 4.320 0.001 0.000 0.216 446 A C 2.346 179.863 177.584 -0.111 0.000 1.181 446 A CA 1.429 53.416 52.037 -0.083 0.000 0.620 446 A CB -0.457 18.526 19.000 -0.027 0.000 0.819 446 A HN 0.351 nan 8.150 nan 0.000 0.442 447 K N -0.278 120.028 120.400 -0.156 0.000 2.148 447 K HA 0.022 4.342 4.320 0.001 0.000 0.204 447 K C 1.893 178.399 176.600 -0.157 0.000 1.050 447 K CA 0.990 57.160 56.287 -0.195 0.000 0.942 447 K CB -0.218 32.073 32.500 -0.348 0.000 0.724 447 K HN 0.428 nan 8.250 nan 0.000 0.446 448 A N 0.974 123.704 122.820 -0.150 0.000 2.208 448 A HA -0.034 4.287 4.320 0.001 0.000 0.209 448 A C 1.632 179.154 177.584 -0.103 0.000 1.161 448 A CA 1.166 53.136 52.037 -0.112 0.000 0.782 448 A CB -0.229 18.709 19.000 -0.103 0.000 0.816 448 A HN 0.362 nan 8.150 nan 0.000 0.477 449 T N -5.820 108.668 114.554 -0.110 0.000 3.145 449 T HA 0.436 4.786 4.350 0.001 0.000 0.281 449 T C 1.126 175.779 174.700 -0.078 0.000 1.003 449 T CA 0.899 62.940 62.100 -0.098 0.000 0.901 449 T CB 0.066 68.861 68.868 -0.122 0.000 1.112 449 T HN 1.535 nan 8.240 nan 0.000 0.535 450 G N 1.486 110.241 108.800 -0.074 0.000 2.179 450 G HA2 -0.215 3.746 3.960 0.001 0.000 0.257 450 G HA3 -0.215 3.746 3.960 0.001 0.000 0.257 450 G C -0.124 174.746 174.900 -0.049 0.000 1.010 450 G CA 0.567 45.632 45.100 -0.059 0.000 0.736 450 G HN 0.660 nan 8.290 nan 0.000 0.513 451 L N -1.412 119.779 121.223 -0.053 0.000 2.298 451 L HA 0.765 5.105 4.340 0.001 0.000 0.268 451 L C 0.961 177.817 176.870 -0.024 0.000 1.010 451 L CA -1.342 53.477 54.840 -0.034 0.000 0.812 451 L CB 1.268 43.308 42.059 -0.032 0.000 1.331 451 L HN 0.050 nan 8.230 nan 0.000 0.450 452 R N 0.361 120.859 120.500 -0.002 0.000 2.604 452 R HA 0.403 4.743 4.340 0.001 0.000 0.287 452 R C -2.505 173.814 176.300 0.032 0.000 0.970 452 R CA -1.834 54.272 56.100 0.011 0.000 0.946 452 R CB 1.342 31.654 30.300 0.019 0.000 1.127 452 R HN 0.242 nan 8.270 nan 0.000 0.473 453 P HA -0.048 nan 4.420 nan 0.000 0.263 453 P C -0.213 177.130 177.300 0.071 0.000 1.195 453 P CA 0.403 63.540 63.100 0.063 0.000 0.762 453 P CB 0.927 32.665 31.700 0.062 0.000 0.799 454 G N 3.431 112.286 108.800 0.091 0.000 2.766 454 G HA2 0.268 4.228 3.960 0.001 0.000 0.206 454 G HA3 0.268 4.228 3.960 0.001 0.000 0.206 454 G C -0.355 174.597 174.900 0.087 0.000 2.072 454 G CA -0.116 45.039 45.100 0.092 0.000 0.798 454 G HN 0.568 nan 8.290 nan 0.000 0.703 455 E N -1.300 118.958 120.200 0.097 0.000 2.408 455 E HA 0.603 4.954 4.350 0.001 0.000 0.275 455 E C -1.645 175.012 176.600 0.095 0.000 0.935 455 E CA -0.882 55.571 56.400 0.088 0.000 0.775 455 E CB 2.183 31.920 29.700 0.060 0.000 1.277 455 E HN 0.249 nan 8.360 nan 0.000 0.455 456 L N 2.512 123.808 121.223 0.122 0.000 2.272 456 L HA 0.477 4.817 4.340 0.001 0.000 0.289 456 L C -1.235 175.724 176.870 0.148 0.000 1.032 456 L CA -1.028 53.889 54.840 0.128 0.000 0.810 456 L CB 1.484 43.632 42.059 0.148 0.000 1.205 456 L HN 0.508 nan 8.230 nan 0.000 0.422 457 V N 4.665 124.623 119.914 0.074 0.000 2.398 457 V HA 0.290 4.410 4.120 0.001 0.000 0.286 457 V C -0.315 175.843 176.094 0.108 0.000 1.026 457 V CA -0.546 61.790 62.300 0.061 0.000 0.868 457 V CB 1.446 33.257 31.823 -0.020 0.000 0.982 457 V HN 0.673 nan 8.190 nan 0.000 0.443 458 H N 3.002 122.093 119.070 0.036 0.000 2.595 458 H HA 0.433 4.990 4.556 0.000 0.000 0.313 458 H C -0.583 174.707 175.328 -0.062 0.000 1.023 458 H CA -0.517 55.530 56.048 -0.001 0.000 1.218 458 H CB 1.047 30.883 29.762 0.122 0.000 1.403 458 H HN 0.654 nan 8.280 nan 0.000 0.477 459 T N 6.482 121.057 114.554 0.036 0.000 2.767 459 T HA 0.279 4.629 4.350 0.001 0.000 0.288 459 T C -0.463 174.008 174.700 -0.381 0.000 0.963 459 T CA -0.578 61.424 62.100 -0.163 0.000 1.019 459 T CB 0.564 69.391 68.868 -0.068 0.000 0.923 459 T HN 0.330 nan 8.240 nan 0.000 0.468 460 L N 2.637 123.603 121.223 -0.428 0.000 2.329 460 L HA 0.642 4.982 4.340 0.001 0.000 0.279 460 L C 1.154 177.767 176.870 -0.428 0.000 1.014 460 L CA -0.293 54.277 54.840 -0.450 0.000 0.814 460 L CB 1.526 43.351 42.059 -0.390 0.000 1.257 460 L HN 0.778 nan 8.230 nan 0.000 0.424 461 G N 0.497 109.057 108.800 -0.399 0.000 2.568 461 G HA2 -0.047 3.913 3.960 0.001 0.000 0.212 461 G HA3 -0.047 3.913 3.960 0.001 0.000 0.212 461 G C -0.102 174.793 174.900 -0.009 0.000 1.821 461 G CA -0.072 44.864 45.100 -0.273 0.000 0.904 461 G HN 0.594 nan 8.290 nan 0.000 0.566 462 D N 2.012 122.546 120.400 0.223 0.000 2.383 462 D HA 0.415 5.055 4.640 0.001 0.000 0.245 462 D C -0.128 176.272 176.300 0.166 0.000 1.263 462 D CA -0.125 54.050 54.000 0.293 0.000 0.936 462 D CB 0.544 41.511 40.800 0.279 0.000 1.053 462 D HN 0.222 nan 8.370 nan 0.000 0.507 463 A N 5.643 128.503 122.820 0.068 0.000 2.260 463 A HA 0.465 4.785 4.320 0.001 0.000 0.308 463 A C -0.254 177.314 177.584 -0.028 0.000 1.254 463 A CA -0.530 51.462 52.037 -0.075 0.000 0.874 463 A CB 0.567 19.504 19.000 -0.105 0.000 1.153 463 A HN 0.757 nan 8.150 nan 0.000 0.527 464 H N -0.491 118.545 119.070 -0.056 0.000 2.985 464 H HA 0.755 5.312 4.556 0.001 0.000 0.360 464 H C -1.937 173.332 175.328 -0.098 0.000 1.221 464 H CA -1.143 54.836 56.048 -0.115 0.000 1.121 464 H CB 1.358 30.990 29.762 -0.217 0.000 1.854 464 H HN 0.333 nan 8.280 nan 0.000 0.551 465 V N 1.964 121.892 119.914 0.024 0.000 2.525 465 V HA 0.155 4.276 4.120 0.001 0.000 0.299 465 V C -0.965 175.103 176.094 -0.044 0.000 1.034 465 V CA -0.783 61.547 62.300 0.050 0.000 0.863 465 V CB 1.120 32.967 31.823 0.041 0.000 0.999 465 V HN 0.615 nan 8.190 nan 0.000 0.423 466 Y N 2.403 122.680 120.300 -0.038 0.000 2.442 466 Y HA 0.048 4.598 4.550 0.001 0.000 0.330 466 Y C 2.011 177.798 175.900 -0.189 0.000 1.129 466 Y CA 0.637 58.601 58.100 -0.227 0.000 1.365 466 Y CB 1.126 39.249 38.460 -0.562 0.000 1.233 466 Y HN 0.746 nan 8.280 nan 0.000 0.529 467 S N 2.104 117.788 115.700 -0.026 0.000 2.400 467 S HA -0.298 4.173 4.470 0.001 0.000 0.234 467 S C 1.778 176.395 174.600 0.028 0.000 1.049 467 S CA 1.770 59.964 58.200 -0.010 0.000 1.039 467 S CB -0.221 62.960 63.200 -0.031 0.000 0.856 467 S HN 0.743 nan 8.310 nan 0.000 0.465 468 N N 1.171 119.879 118.700 0.014 0.000 2.025 468 N HA -0.104 4.636 4.740 0.001 0.000 0.194 468 N C 1.358 176.959 175.510 0.152 0.000 1.044 468 N CA 1.490 54.572 53.050 0.053 0.000 0.851 468 N CB -0.779 37.721 38.487 0.020 0.000 1.036 468 N HN 0.670 nan 8.380 nan 0.000 0.422 469 H N -0.342 118.788 119.070 0.101 0.000 2.541 469 H HA -0.010 4.547 4.556 0.001 0.000 0.289 469 H C 1.780 177.147 175.328 0.065 0.000 1.054 469 H CA 0.093 56.193 56.048 0.087 0.000 1.250 469 H CB 0.203 30.040 29.762 0.126 0.000 1.369 469 H HN -0.021 nan 8.280 nan 0.000 0.578 470 V N 1.129 121.139 119.914 0.160 0.000 2.252 470 V HA -0.318 3.802 4.120 0.001 0.000 0.249 470 V C 2.449 178.588 176.094 0.074 0.000 1.056 470 V CA 2.243 64.599 62.300 0.094 0.000 1.022 470 V CB -0.426 31.431 31.823 0.056 0.000 0.641 470 V HN 0.403 nan 8.190 nan 0.000 0.445 471 E N 0.233 120.476 120.200 0.072 0.000 2.038 471 E HA -0.174 4.176 4.350 0.001 0.000 0.195 471 E C 0.076 176.705 176.600 0.048 0.000 1.000 471 E CA 2.132 58.562 56.400 0.052 0.000 0.803 471 E CB -1.330 28.399 29.700 0.048 0.000 0.750 471 E HN 0.464 nan 8.360 nan 0.000 0.448 472 P HA -0.134 nan 4.420 nan 0.000 0.215 472 P C 1.244 178.567 177.300 0.039 0.000 1.157 472 P CA 1.338 64.463 63.100 0.041 0.000 0.868 472 P CB -0.033 31.688 31.700 0.036 0.000 0.788 473 C N -1.101 118.234 119.300 0.058 0.000 2.429 473 C HA -0.088 4.372 4.460 0.001 0.000 0.277 473 C C 2.489 177.493 174.990 0.024 0.000 1.262 473 C CA 0.908 59.956 59.018 0.049 0.000 1.733 473 C CB -1.938 25.842 27.740 0.067 0.000 2.010 473 C HN 0.303 nan 8.230 nan 0.000 0.483 474 N N 0.649 119.362 118.700 0.022 0.000 2.272 474 N HA -0.130 4.610 4.740 0.001 0.000 0.185 474 N C 1.633 177.142 175.510 -0.001 0.000 1.014 474 N CA 1.269 54.324 53.050 0.007 0.000 0.870 474 N CB -0.346 38.148 38.487 0.010 0.000 0.975 474 N HN 0.565 nan 8.380 nan 0.000 0.433 475 E N 0.958 121.160 120.200 0.003 0.000 2.051 475 E HA -0.075 4.276 4.350 0.001 0.000 0.189 475 E C 1.866 178.450 176.600 -0.026 0.000 0.979 475 E CA 0.645 57.041 56.400 -0.007 0.000 0.803 475 E CB -0.266 29.435 29.700 0.002 0.000 0.761 475 E HN 0.348 nan 8.360 nan 0.000 0.451 476 Q N 0.057 119.846 119.800 -0.017 0.000 2.181 476 Q HA -0.156 4.184 4.340 0.001 0.000 0.205 476 Q C 1.816 177.786 176.000 -0.050 0.000 0.980 476 Q CA 1.116 56.898 55.803 -0.035 0.000 0.862 476 Q CB -0.131 28.617 28.738 0.017 0.000 0.905 476 Q HN 0.311 nan 8.270 nan 0.000 0.429 477 L N 0.156 121.363 121.223 -0.028 0.000 2.456 477 L HA -0.116 4.224 4.340 0.001 0.000 0.224 477 L C 2.057 178.899 176.870 -0.047 0.000 1.148 477 L CA 0.773 55.594 54.840 -0.031 0.000 0.825 477 L CB -0.112 41.931 42.059 -0.025 0.000 0.937 477 L HN 0.148 nan 8.230 nan 0.000 0.450 478 K N 0.006 120.372 120.400 -0.057 0.000 2.243 478 K HA 0.028 4.348 4.320 0.001 0.000 0.201 478 K C 0.569 177.116 176.600 -0.089 0.000 1.051 478 K CA 0.156 56.409 56.287 -0.056 0.000 0.970 478 K CB 0.136 32.612 32.500 -0.040 0.000 0.755 478 K HN 0.259 nan 8.250 nan 0.000 0.465 479 R N 1.581 121.978 120.500 -0.173 0.000 2.537 479 R HA 0.085 4.425 4.340 0.001 0.000 0.280 479 R C -0.407 175.764 176.300 -0.215 0.000 1.058 479 R CA -0.220 55.682 56.100 -0.330 0.000 1.057 479 R CB 0.760 30.612 30.300 -0.747 0.000 0.973 479 R HN -0.139 nan 8.270 nan 0.000 0.438 480 V N 6.641 126.493 119.914 -0.103 0.000 2.408 480 V HA 0.129 4.249 4.120 0.001 0.000 0.267 480 V C -1.850 174.282 176.094 0.063 0.000 1.047 480 V CA -1.880 60.422 62.300 0.003 0.000 0.937 480 V CB 0.906 32.767 31.823 0.063 0.000 0.999 480 V HN 0.653 nan 8.190 nan 0.000 0.472 481 P HA 0.118 nan 4.420 nan 0.000 0.266 481 P C -0.132 177.213 177.300 0.076 0.000 1.193 481 P CA 0.252 63.385 63.100 0.055 0.000 0.770 481 P CB 0.572 32.252 31.700 -0.032 0.000 0.836 482 R N 1.266 121.825 120.500 0.099 0.000 2.797 482 R HA 0.708 5.048 4.340 0.001 0.000 0.251 482 R C -0.067 176.181 176.300 -0.086 0.000 1.107 482 R CA -1.108 55.013 56.100 0.035 0.000 1.084 482 R CB 0.811 31.145 30.300 0.055 0.000 1.205 482 R HN 0.463 nan 8.270 nan 0.000 0.515 483 A N 1.212 124.003 122.820 -0.048 0.000 2.531 483 A HA 0.142 4.462 4.320 0.001 0.000 0.236 483 A C -0.518 177.071 177.584 0.008 0.000 1.062 483 A CA 0.145 52.147 52.037 -0.059 0.000 0.760 483 A CB -0.123 18.897 19.000 0.032 0.000 0.995 483 A HN 0.392 nan 8.150 nan 0.000 0.501 484 F N 3.075 123.009 119.950 -0.027 0.000 2.444 484 F HA 0.346 4.873 4.527 0.000 0.000 0.331 484 F C -1.060 174.618 175.800 -0.203 0.000 1.167 484 F CA -1.643 56.305 58.000 -0.086 0.000 1.262 484 F CB 0.297 39.208 39.000 -0.149 0.000 1.196 484 F HN 0.431 nan 8.300 nan 0.000 0.583 485 P HA 0.222 nan 4.420 nan 0.000 0.302 485 P C -1.630 175.427 177.300 -0.404 0.000 1.307 485 P CA -0.090 62.963 63.100 -0.078 0.000 0.754 485 P CB 0.980 32.633 31.700 -0.077 0.000 1.298 486 Y N -1.884 118.361 120.300 -0.093 0.000 2.545 486 Y HA 0.534 5.085 4.550 0.000 0.000 0.348 486 Y C -0.039 175.741 175.900 -0.200 0.000 1.002 486 Y CA -1.047 56.989 58.100 -0.106 0.000 1.039 486 Y CB 1.548 39.992 38.460 -0.027 0.000 1.271 486 Y HN 0.086 nan 8.280 nan 0.000 0.467 487 L N 2.585 123.782 121.223 -0.044 0.000 2.313 487 L HA 0.854 5.194 4.340 0.001 0.000 0.283 487 L C -1.372 175.481 176.870 -0.028 0.000 1.013 487 L CA -0.582 54.160 54.840 -0.164 0.000 0.816 487 L CB 1.255 43.166 42.059 -0.246 0.000 1.236 487 L HN 0.469 nan 8.230 nan 0.000 0.419 488 V N 4.768 124.632 119.914 -0.083 0.000 2.769 488 V HA 0.477 4.598 4.120 0.001 0.000 0.312 488 V C -0.778 175.264 176.094 -0.086 0.000 1.061 488 V CA -0.535 61.777 62.300 0.020 0.000 0.931 488 V CB 1.955 33.798 31.823 0.033 0.000 1.010 488 V HN 0.521 nan 8.190 nan 0.000 0.433 489 F N 3.277 123.259 119.950 0.054 0.000 2.361 489 F HA 0.425 4.953 4.527 0.000 0.000 0.364 489 F C 1.429 177.273 175.800 0.073 0.000 1.120 489 F CA -0.529 57.523 58.000 0.086 0.000 1.102 489 F CB 1.402 40.467 39.000 0.107 0.000 1.183 489 F HN 0.570 nan 8.300 nan 0.000 0.476 490 R N 2.183 122.768 120.500 0.141 0.000 2.240 490 R HA 0.189 4.529 4.340 0.001 0.000 0.203 490 R C 0.539 176.913 176.300 0.124 0.000 1.011 490 R CA 0.454 56.616 56.100 0.104 0.000 1.007 490 R CB 0.441 30.772 30.300 0.053 0.000 0.911 490 R HN 0.514 nan 8.270 nan 0.000 0.468 491 R N 0.136 120.751 120.500 0.192 0.000 2.692 491 R HA 0.214 4.554 4.340 0.001 0.000 0.269 491 R C -1.379 175.062 176.300 0.234 0.000 1.030 491 R CA -0.569 55.622 56.100 0.153 0.000 0.882 491 R CB 1.761 32.110 30.300 0.081 0.000 1.250 491 R HN -0.006 nan 8.270 nan 0.000 0.465 492 E N 1.433 121.703 120.200 0.116 0.000 2.334 492 E HA 0.551 4.901 4.350 0.001 0.000 0.256 492 E C -0.812 175.689 176.600 -0.165 0.000 0.958 492 E CA -0.925 55.535 56.400 0.099 0.000 0.821 492 E CB 1.519 31.271 29.700 0.088 0.000 1.269 492 E HN 0.441 nan 8.360 nan 0.000 0.413 493 R N -0.114 120.208 120.500 -0.297 0.000 2.808 493 R HA 0.196 4.537 4.340 0.001 0.000 0.272 493 R C 0.740 176.942 176.300 -0.162 0.000 0.995 493 R CA -0.435 55.441 56.100 -0.374 0.000 0.917 493 R CB 1.360 31.147 30.300 -0.855 0.000 1.217 493 R HN 0.611 nan 8.270 nan 0.000 0.471 494 E N 0.751 120.856 120.200 -0.159 0.000 2.107 494 E HA 0.006 4.357 4.350 0.001 0.000 0.191 494 E C -0.606 175.666 176.600 -0.547 0.000 0.982 494 E CA 1.023 57.224 56.400 -0.333 0.000 0.809 494 E CB 0.242 29.741 29.700 -0.334 0.000 0.756 494 E HN 0.324 nan 8.360 nan 0.000 0.459 495 F N -0.193 119.773 119.950 0.026 0.000 2.532 495 F HA 0.196 4.723 4.527 0.001 0.000 0.321 495 F C 0.613 176.515 175.800 0.169 0.000 1.089 495 F CA -0.978 57.067 58.000 0.076 0.000 0.926 495 F CB 1.485 40.518 39.000 0.055 0.000 1.168 495 F HN -0.130 nan 8.300 nan 0.000 0.459 496 L N 1.757 123.205 121.223 0.374 0.000 2.079 496 L HA -0.158 4.182 4.340 0.001 0.000 0.210 496 L C 1.784 178.879 176.870 0.374 0.000 1.081 496 L CA 2.097 57.159 54.840 0.371 0.000 0.752 496 L CB -0.554 41.611 42.059 0.177 0.000 0.896 496 L HN 0.634 nan 8.230 nan 0.000 0.433 497 E N -0.353 120.017 120.200 0.284 0.000 2.338 497 E HA -0.138 4.212 4.350 0.001 0.000 0.197 497 E C 1.372 178.090 176.600 0.196 0.000 1.007 497 E CA 0.972 57.495 56.400 0.205 0.000 0.849 497 E CB -0.228 29.551 29.700 0.131 0.000 0.774 497 E HN 0.542 nan 8.360 nan 0.000 0.506 498 D N -0.860 119.667 120.400 0.213 0.000 2.339 498 D HA -0.029 4.611 4.640 0.001 0.000 0.217 498 D C -0.329 175.997 176.300 0.044 0.000 1.050 498 D CA 0.112 54.178 54.000 0.110 0.000 0.856 498 D CB -0.040 40.813 40.800 0.088 0.000 0.922 498 D HN 0.197 nan 8.370 nan 0.000 0.518 499 Y N 1.746 122.122 120.300 0.127 0.000 2.597 499 Y HA 0.089 4.640 4.550 0.001 0.000 0.336 499 Y C 1.113 177.075 175.900 0.104 0.000 1.216 499 Y CA 0.473 58.655 58.100 0.135 0.000 1.463 499 Y CB 0.590 39.155 38.460 0.176 0.000 1.303 499 Y HN -0.207 nan 8.280 nan 0.000 0.576 500 E N 1.257 121.577 120.200 0.200 0.000 2.277 500 E HA 0.093 4.443 4.350 0.001 0.000 0.266 500 E C 0.521 177.190 176.600 0.114 0.000 0.901 500 E CA -0.810 55.662 56.400 0.119 0.000 0.782 500 E CB 1.613 31.351 29.700 0.062 0.000 1.228 500 E HN 0.605 nan 8.360 nan 0.000 0.424 501 E N 1.926 122.154 120.200 0.046 0.000 2.130 501 E HA -0.169 4.181 4.350 0.001 0.000 0.196 501 E C 1.546 178.174 176.600 0.047 0.000 0.998 501 E CA 1.612 58.021 56.400 0.014 0.000 0.806 501 E CB -0.189 29.474 29.700 -0.063 0.000 0.738 501 E HN 0.807 nan 8.360 nan 0.000 0.459 502 G N 0.434 109.260 108.800 0.042 0.000 2.598 502 G HA2 -0.184 3.777 3.960 0.001 0.000 0.215 502 G HA3 -0.184 3.777 3.960 0.001 0.000 0.215 502 G C 1.007 175.934 174.900 0.045 0.000 1.131 502 G CA 0.545 45.670 45.100 0.041 0.000 0.785 502 G HN 0.208 nan 8.290 nan 0.000 0.539 503 D N 0.215 120.658 120.400 0.072 0.000 2.317 503 D HA 0.058 4.698 4.640 0.001 0.000 0.211 503 D C 1.498 177.811 176.300 0.021 0.000 0.966 503 D CA 0.519 54.584 54.000 0.107 0.000 0.876 503 D CB 0.091 41.032 40.800 0.235 0.000 0.927 503 D HN 0.527 nan 8.370 nan 0.000 0.519 504 M N -1.211 118.334 119.600 -0.092 0.000 2.644 504 M HA 0.647 5.128 4.480 0.001 0.000 0.304 504 M C -0.986 175.231 176.300 -0.138 0.000 1.215 504 M CA -0.857 54.252 55.300 -0.318 0.000 0.871 504 M CB 3.315 35.506 32.600 -0.682 0.000 1.740 504 M HN -0.353 nan 8.290 nan 0.000 0.464 505 E N 1.045 121.132 120.200 -0.189 0.000 2.308 505 E HA 0.567 4.918 4.350 0.001 0.000 0.275 505 E C -1.948 174.512 176.600 -0.233 0.000 0.890 505 E CA -0.824 55.497 56.400 -0.132 0.000 0.754 505 E CB 2.939 32.603 29.700 -0.060 0.000 1.207 505 E HN 0.660 nan 8.360 nan 0.000 0.426 506 V N 5.652 125.373 119.914 -0.322 0.000 2.432 506 V HA 0.369 4.489 4.120 0.001 0.000 0.275 506 V C 0.335 176.341 176.094 -0.147 0.000 1.043 506 V CA -0.262 61.795 62.300 -0.406 0.000 0.925 506 V CB 0.457 31.854 31.823 -0.711 0.000 0.985 506 V HN 0.532 nan 8.190 nan 0.000 0.466 507 I N 0.447 120.984 120.570 -0.054 0.000 2.846 507 I HA 0.664 4.835 4.170 0.001 0.000 0.307 507 I C -0.226 175.971 176.117 0.135 0.000 1.053 507 I CA -0.823 60.502 61.300 0.043 0.000 1.050 507 I CB 2.090 40.114 38.000 0.040 0.000 1.239 507 I HN 0.544 nan 8.210 nan 0.000 0.439 508 D N 2.079 122.561 120.400 0.136 0.000 2.723 508 D HA -0.287 4.353 4.640 0.001 0.000 0.236 508 D C -1.000 175.438 176.300 0.231 0.000 1.138 508 D CA 1.151 55.254 54.000 0.173 0.000 0.676 508 D CB -1.205 39.734 40.800 0.232 0.000 1.069 508 D HN 0.754 nan 8.370 nan 0.000 0.430 509 Y N -0.174 120.147 120.300 0.034 0.000 2.385 509 Y HA 0.441 4.991 4.550 0.000 0.000 0.341 509 Y C -0.030 175.888 175.900 0.030 0.000 0.965 509 Y CA -0.716 57.398 58.100 0.023 0.000 1.180 509 Y CB 0.952 39.404 38.460 -0.015 0.000 1.139 509 Y HN 0.101 nan 8.280 nan 0.000 0.502 510 A N 8.970 131.735 122.820 -0.093 0.000 3.204 510 A HA 0.380 4.701 4.320 0.001 0.000 0.327 510 A C -2.806 174.608 177.584 -0.282 0.000 0.998 510 A CA -1.488 50.440 52.037 -0.182 0.000 0.891 510 A CB -0.337 18.627 19.000 -0.059 0.000 1.061 510 A HN 0.565 nan 8.150 nan 0.000 0.478 511 P HA 0.128 nan 4.420 nan 0.000 0.272 511 P C -0.542 176.670 177.300 -0.146 0.000 1.230 511 P CA 0.106 63.023 63.100 -0.304 0.000 0.788 511 P CB 0.638 32.040 31.700 -0.497 0.000 0.949 512 Y N 0.691 120.951 120.300 -0.066 0.000 2.385 512 Y HA 0.155 4.705 4.550 0.000 0.000 0.346 512 Y C -1.187 174.696 175.900 -0.027 0.000 1.270 512 Y CA -1.014 57.071 58.100 -0.025 0.000 1.472 512 Y CB -1.145 37.317 38.460 0.004 0.000 1.354 512 Y HN 0.361 nan 8.280 nan 0.000 0.611 513 P HA 0.149 nan 4.420 nan 0.000 0.274 513 P C -2.529 174.822 177.300 0.086 0.000 1.256 513 P CA -1.026 62.121 63.100 0.079 0.000 0.795 513 P CB -0.084 31.658 31.700 0.069 0.000 1.038 514 P HA -0.008 nan 4.420 nan 0.000 0.268 514 P C -1.222 176.102 177.300 0.041 0.000 1.208 514 P CA 0.060 63.184 63.100 0.038 0.000 0.777 514 P CB 0.353 32.065 31.700 0.020 0.000 0.875 515 I N 0.000 120.588 120.570 0.031 0.000 2.984 515 I HA 0.000 4.170 4.170 0.001 0.000 0.288 515 I CA 0.000 61.315 61.300 0.025 0.000 1.566 515 I CB 0.000 38.010 38.000 0.017 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494