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 1s64_1_J DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.916 176.870 0.077 0.000 1.165 18 L CA 0.000 54.871 54.840 0.051 0.000 0.813 18 L CB 0.000 42.076 42.059 0.028 0.000 0.961 19 D N 0.055 120.502 120.400 0.078 0.000 2.419 19 D HA 0.358 4.998 4.640 0.000 0.000 0.234 19 D C -1.010 175.395 176.300 0.175 0.000 1.014 19 D CA -0.393 53.677 54.000 0.116 0.000 0.919 19 D CB 2.006 42.849 40.800 0.071 0.000 1.366 19 D HN 0.093 nan 8.370 nan 0.000 0.490 20 F N 1.234 121.224 119.950 0.067 0.000 2.434 20 F HA 0.229 4.756 4.527 0.000 0.000 0.358 20 F C -0.219 175.621 175.800 0.067 0.000 1.136 20 F CA -1.053 57.019 58.000 0.119 0.000 1.157 20 F CB 0.216 39.300 39.000 0.139 0.000 1.167 20 F HN 0.146 nan 8.300 nan 0.000 0.539 21 L N 7.742 128.701 121.223 -0.440 0.000 2.544 21 L HA 0.112 4.452 4.340 0.000 0.000 0.240 21 L C 1.983 178.323 176.870 -0.884 0.000 1.421 21 L CA 0.541 55.021 54.840 -0.600 0.000 1.206 21 L CB -1.340 40.348 42.059 -0.618 0.000 1.463 21 L HN 0.670 nan 8.230 nan 0.000 0.437 22 R N 0.415 120.438 120.500 -0.795 0.000 2.112 22 R HA -0.217 4.123 4.340 0.000 0.000 0.242 22 R C 1.276 177.416 176.300 -0.267 0.000 1.137 22 R CA 2.189 57.974 56.100 -0.525 0.000 0.944 22 R CB 0.114 30.361 30.300 -0.088 0.000 0.857 22 R HN 0.492 nan 8.270 nan 0.000 0.435 23 D N -0.294 119.975 120.400 -0.217 0.000 2.123 23 D HA -0.187 4.453 4.640 0.000 0.000 0.196 23 D C 2.017 178.204 176.300 -0.188 0.000 0.992 23 D CA 1.170 55.084 54.000 -0.142 0.000 0.833 23 D CB -0.259 40.472 40.800 -0.114 0.000 0.954 23 D HN 0.189 nan 8.370 nan 0.000 0.455 24 R N 0.462 120.760 120.500 -0.337 0.000 2.083 24 R HA -0.140 4.200 4.340 0.000 0.000 0.237 24 R C 2.185 178.283 176.300 -0.336 0.000 1.137 24 R CA 1.389 57.267 56.100 -0.371 0.000 0.951 24 R CB -0.484 29.495 30.300 -0.535 0.000 0.851 24 R HN 0.297 nan 8.270 nan 0.000 0.434 25 H N -0.676 118.240 119.070 -0.257 0.000 2.456 25 H HA -0.033 4.523 4.556 0.000 0.000 0.296 25 H C 2.016 177.283 175.328 -0.102 0.000 1.079 25 H CA 1.553 57.439 56.048 -0.270 0.000 1.322 25 H CB -0.217 29.390 29.762 -0.258 0.000 1.388 25 H HN 0.095 nan 8.280 nan 0.000 0.538 26 V N 0.891 120.862 119.914 0.095 0.000 2.358 26 V HA -0.203 3.917 4.120 0.000 0.000 0.246 26 V C 2.577 178.738 176.094 0.112 0.000 1.047 26 V CA 1.501 63.904 62.300 0.171 0.000 1.035 26 V CB -0.275 31.607 31.823 0.097 0.000 0.658 26 V HN 0.179 nan 8.190 nan 0.000 0.452 27 R N -0.429 120.085 120.500 0.025 0.000 2.075 27 R HA -0.076 4.264 4.340 0.000 0.000 0.232 27 R C 2.017 178.314 176.300 -0.005 0.000 1.126 27 R CA 1.516 57.614 56.100 -0.004 0.000 0.963 27 R CB -1.031 29.244 30.300 -0.042 0.000 0.858 27 R HN 0.535 nan 8.270 nan 0.000 0.435 28 F N -0.112 119.744 119.950 -0.155 0.000 2.069 28 F HA -0.200 4.327 4.527 0.000 0.000 0.298 28 F C 1.679 177.395 175.800 -0.140 0.000 1.113 28 F CA 1.616 59.492 58.000 -0.206 0.000 1.214 28 F CB -0.384 38.415 39.000 -0.335 0.000 0.978 28 F HN 0.005 nan 8.300 nan 0.000 0.474 29 F N 0.295 120.328 119.950 0.139 0.000 2.216 29 F HA -0.223 4.304 4.527 0.000 0.000 0.300 29 F C 2.569 178.305 175.800 -0.106 0.000 1.085 29 F CA 1.095 59.106 58.000 0.018 0.000 1.326 29 F CB -0.527 38.533 39.000 0.099 0.000 1.027 29 F HN 0.063 nan 8.300 nan 0.000 0.497 30 Q N -0.046 119.804 119.800 0.083 0.000 2.050 30 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 30 Q C 2.394 178.338 176.000 -0.093 0.000 0.980 30 Q CA 1.075 56.874 55.803 -0.008 0.000 0.840 30 Q CB -0.251 28.477 28.738 -0.016 0.000 0.898 30 Q HN 0.326 nan 8.270 nan 0.000 0.424 31 R N 0.007 120.411 120.500 -0.159 0.000 2.105 31 R HA -0.154 4.186 4.340 0.000 0.000 0.239 31 R C 2.283 178.427 176.300 -0.260 0.000 1.135 31 R CA 1.289 57.255 56.100 -0.223 0.000 0.967 31 R CB -0.402 29.718 30.300 -0.301 0.000 0.861 31 R HN 0.369 nan 8.270 nan 0.000 0.442 32 C N 0.354 119.473 119.300 -0.302 0.000 2.422 32 C HA -0.062 4.398 4.460 0.000 0.000 0.279 32 C C 2.331 177.218 174.990 -0.172 0.000 1.305 32 C CA 0.259 59.126 59.018 -0.251 0.000 1.757 32 C CB -0.779 26.869 27.740 -0.153 0.000 1.962 32 C HN 0.374 nan 8.230 nan 0.000 0.499 33 L N 0.463 121.598 121.223 -0.147 0.000 2.492 33 L HA 0.042 4.382 4.340 0.000 0.000 0.223 33 L C 2.012 178.766 176.870 -0.194 0.000 1.132 33 L CA 1.354 56.092 54.840 -0.171 0.000 0.850 33 L CB -1.401 40.571 42.059 -0.145 0.000 0.966 33 L HN 0.554 nan 8.230 nan 0.000 0.454 34 Q N -1.160 118.540 119.800 -0.166 0.000 2.827 34 Q HA 0.202 4.542 4.340 0.000 0.000 0.411 34 Q C -0.237 175.680 176.000 -0.139 0.000 1.118 34 Q CA 0.020 55.734 55.803 -0.148 0.000 0.461 34 Q CB 0.261 28.926 28.738 -0.121 0.000 5.129 34 Q HN 0.030 nan 8.270 nan 0.000 0.316 35 V N 1.286 121.133 119.914 -0.110 0.000 2.628 35 V HA 0.420 4.540 4.120 0.000 0.000 0.306 35 V C -0.682 175.371 176.094 -0.068 0.000 1.045 35 V CA -0.572 61.681 62.300 -0.080 0.000 0.905 35 V CB 1.633 33.424 31.823 -0.054 0.000 0.997 35 V HN 0.311 nan 8.190 nan 0.000 0.436 36 L N 4.352 125.558 121.223 -0.028 0.000 2.362 36 L HA 0.615 4.955 4.340 0.000 0.000 0.271 36 L C -2.434 174.520 176.870 0.139 0.000 1.002 36 L CA -1.788 53.071 54.840 0.031 0.000 0.818 36 L CB 1.839 43.891 42.059 -0.013 0.000 1.298 36 L HN 0.433 nan 8.230 nan 0.000 0.420 37 P HA 0.038 nan 4.420 nan 0.000 0.272 37 P C 0.439 177.815 177.300 0.127 0.000 1.230 37 P CA -0.384 62.804 63.100 0.147 0.000 0.788 37 P CB 0.687 32.462 31.700 0.126 0.000 0.949 38 E N 0.978 121.204 120.200 0.044 0.000 2.331 38 E HA -0.237 4.113 4.350 0.000 0.000 0.199 38 E C 1.325 177.901 176.600 -0.042 0.000 1.008 38 E CA 0.736 57.149 56.400 0.021 0.000 0.843 38 E CB 0.041 29.747 29.700 0.009 0.000 0.761 38 E HN 0.287 nan 8.360 nan 0.000 0.507 39 R N -0.749 119.655 120.500 -0.160 0.000 2.200 39 R HA -0.159 4.181 4.340 0.000 0.000 0.234 39 R C 0.907 176.955 176.300 -0.419 0.000 1.127 39 R CA 1.170 57.064 56.100 -0.345 0.000 0.989 39 R CB -0.163 29.783 30.300 -0.590 0.000 0.869 39 R HN 0.348 nan 8.270 nan 0.000 0.459 40 Y N 0.250 120.567 120.300 0.029 0.000 2.583 40 Y HA 0.057 4.607 4.550 0.000 0.000 0.294 40 Y C 2.029 177.949 175.900 0.034 0.000 1.170 40 Y CA -0.099 58.023 58.100 0.036 0.000 1.265 40 Y CB 0.159 38.638 38.460 0.032 0.000 1.119 40 Y HN 0.086 nan 8.280 nan 0.000 0.522 41 S N -0.634 115.126 115.700 0.100 0.000 2.402 41 S HA -0.273 4.197 4.470 0.000 0.000 0.233 41 S C 2.119 176.758 174.600 0.066 0.000 1.030 41 S CA 1.511 59.756 58.200 0.076 0.000 1.003 41 S CB -0.809 62.416 63.200 0.041 0.000 0.813 41 S HN 0.538 nan 8.310 nan 0.000 0.477 42 S N 1.649 117.392 115.700 0.071 0.000 2.507 42 S HA 0.142 4.612 4.470 0.000 0.000 0.235 42 S C 1.555 176.194 174.600 0.065 0.000 0.988 42 S CA 0.624 58.859 58.200 0.059 0.000 0.944 42 S CB -0.774 62.468 63.200 0.070 0.000 0.762 42 S HN 0.591 nan 8.310 nan 0.000 0.526 43 L N 0.589 121.872 121.223 0.100 0.000 2.558 43 L HA 0.203 4.543 4.340 0.000 0.000 0.225 43 L C 2.583 179.482 176.870 0.049 0.000 1.128 43 L CA 0.425 55.321 54.840 0.093 0.000 0.868 43 L CB -0.394 41.745 42.059 0.135 0.000 1.006 43 L HN 0.266 nan 8.230 nan 0.000 0.454 44 E N 1.318 121.536 120.200 0.030 0.000 2.048 44 E HA -0.274 4.076 4.350 0.000 0.000 0.202 44 E C 2.025 178.587 176.600 -0.064 0.000 1.021 44 E CA 2.462 58.867 56.400 0.009 0.000 0.825 44 E CB -0.284 29.413 29.700 -0.005 0.000 0.756 44 E HN 0.424 nan 8.360 nan 0.000 0.454 45 T N -2.295 112.130 114.554 -0.216 0.000 3.163 45 T HA 0.002 4.352 4.350 0.000 0.000 0.260 45 T C 0.952 175.549 174.700 -0.172 0.000 1.156 45 T CA 0.744 62.633 62.100 -0.351 0.000 1.072 45 T CB -0.371 68.176 68.868 -0.534 0.000 0.937 45 T HN 0.145 nan 8.240 nan 0.000 0.528 46 S N -0.751 114.902 115.700 -0.080 0.000 2.901 46 S HA 0.407 4.877 4.470 0.000 0.000 0.248 46 S C 1.039 175.649 174.600 0.016 0.000 1.021 46 S CA -0.972 57.191 58.200 -0.062 0.000 1.090 46 S CB 0.176 63.338 63.200 -0.064 0.000 1.039 46 S HN 0.328 nan 8.310 nan 0.000 0.514 47 R N 0.190 120.738 120.500 0.079 0.000 2.120 47 R HA 0.063 4.403 4.340 0.000 0.000 0.234 47 R C 1.925 178.349 176.300 0.207 0.000 1.123 47 R CA 1.152 57.346 56.100 0.156 0.000 0.975 47 R CB -0.415 30.038 30.300 0.256 0.000 0.866 47 R HN 0.401 nan 8.270 nan 0.000 0.446 48 L N 0.959 122.283 121.223 0.167 0.000 2.131 48 L HA -0.151 4.189 4.340 0.000 0.000 0.210 48 L C 2.253 179.104 176.870 -0.032 0.000 1.092 48 L CA 2.235 57.139 54.840 0.106 0.000 0.759 48 L CB -0.781 41.233 42.059 -0.075 0.000 0.903 48 L HN 0.284 nan 8.230 nan 0.000 0.435 49 T N -3.831 110.653 114.554 -0.117 0.000 3.023 49 T HA -0.053 4.297 4.350 0.000 0.000 0.266 49 T C 1.917 176.401 174.700 -0.360 0.000 1.093 49 T CA 0.769 62.688 62.100 -0.303 0.000 1.129 49 T CB -0.367 68.317 68.868 -0.307 0.000 0.899 49 T HN 0.176 nan 8.240 nan 0.000 0.491 50 I N 2.195 122.713 120.570 -0.087 0.000 2.353 50 I HA 0.091 4.261 4.170 0.000 0.000 0.248 50 I C 3.072 179.181 176.117 -0.013 0.000 1.119 50 I CA 0.943 62.270 61.300 0.045 0.000 1.417 50 I CB -1.686 36.361 38.000 0.080 0.000 1.078 50 I HN 0.378 nan 8.210 nan 0.000 0.421 51 A N 0.808 123.619 122.820 -0.015 0.000 1.902 51 A HA -0.264 4.056 4.320 0.000 0.000 0.217 51 A C 2.294 179.798 177.584 -0.134 0.000 1.181 51 A CA 1.415 53.433 52.037 -0.031 0.000 0.623 51 A CB -1.086 17.996 19.000 0.136 0.000 0.818 51 A HN 0.387 nan 8.150 nan 0.000 0.443 52 F N -0.046 119.707 119.950 -0.330 0.000 2.095 52 F HA -0.182 4.345 4.527 0.000 0.000 0.298 52 F C 1.948 177.402 175.800 -0.576 0.000 1.104 52 F CA 1.714 59.418 58.000 -0.493 0.000 1.232 52 F CB -0.548 38.054 39.000 -0.663 0.000 0.987 52 F HN 0.246 nan 8.300 nan 0.000 0.475 53 F N 0.177 119.719 119.950 -0.680 0.000 2.171 53 F HA -0.185 4.342 4.527 0.000 0.000 0.300 53 F C 2.569 177.861 175.800 -0.847 0.000 1.090 53 F CA 0.602 58.047 58.000 -0.925 0.000 1.293 53 F CB -0.762 38.063 39.000 -0.293 0.000 1.013 53 F HN 0.150 nan 8.300 nan 0.000 0.486 54 A N 0.395 123.013 122.820 -0.338 0.000 1.874 54 A HA -0.055 4.265 4.320 0.000 0.000 0.214 54 A C 2.128 179.382 177.584 -0.551 0.000 1.189 54 A CA 0.961 52.769 52.037 -0.383 0.000 0.615 54 A CB -0.919 18.046 19.000 -0.057 0.000 0.830 54 A HN 0.317 nan 8.150 nan 0.000 0.443 55 L N -0.766 120.197 121.223 -0.433 0.000 1.994 55 L HA -0.145 4.195 4.340 0.000 0.000 0.208 55 L C 2.882 179.480 176.870 -0.454 0.000 1.071 55 L CA 1.628 56.252 54.840 -0.359 0.000 0.745 55 L CB -0.551 41.353 42.059 -0.257 0.000 0.892 55 L HN 0.465 nan 8.230 nan 0.000 0.431 56 S N -0.104 115.175 115.700 -0.703 0.000 2.419 56 S HA -0.109 4.361 4.470 0.000 0.000 0.233 56 S C 1.935 176.284 174.600 -0.419 0.000 1.016 56 S CA 1.225 59.039 58.200 -0.643 0.000 0.974 56 S CB -0.339 62.124 63.200 -1.229 0.000 0.786 56 S HN 0.527 nan 8.310 nan 0.000 0.492 57 G N 1.364 109.759 108.800 -0.675 0.000 2.394 57 G HA2 -0.046 3.914 3.960 0.000 0.000 0.214 57 G HA3 -0.046 3.914 3.960 0.000 0.000 0.214 57 G C 1.396 176.027 174.900 -0.448 0.000 1.176 57 G CA 0.648 45.310 45.100 -0.729 0.000 0.786 57 G HN 0.500 nan 8.290 nan 0.000 0.533 58 L N 0.432 121.392 121.223 -0.437 0.000 2.046 58 L HA -0.085 4.255 4.340 0.000 0.000 0.208 58 L C 2.604 179.432 176.870 -0.070 0.000 1.077 58 L CA 1.390 56.166 54.840 -0.107 0.000 0.747 58 L CB -0.345 41.663 42.059 -0.085 0.000 0.896 58 L HN 0.183 nan 8.230 nan 0.000 0.432 59 D N 0.116 120.439 120.400 -0.129 0.000 2.104 59 D HA -0.261 4.379 4.640 0.000 0.000 0.194 59 D C 2.140 178.412 176.300 -0.047 0.000 0.994 59 D CA 1.444 55.395 54.000 -0.082 0.000 0.830 59 D CB 0.032 40.767 40.800 -0.108 0.000 0.959 59 D HN 0.046 nan 8.370 nan 0.000 0.452 60 M N -0.366 119.198 119.600 -0.060 0.000 2.267 60 M HA 0.002 4.482 4.480 0.000 0.000 0.263 60 M C 1.536 177.847 176.300 0.019 0.000 1.063 60 M CA 1.118 56.395 55.300 -0.038 0.000 1.090 60 M CB -0.028 32.523 32.600 -0.082 0.000 1.392 60 M HN 0.078 nan 8.290 nan 0.000 0.422 61 L N -1.297 119.966 121.223 0.066 0.000 2.628 61 L HA 0.125 4.465 4.340 0.000 0.000 0.229 61 L C 0.133 177.056 176.870 0.089 0.000 1.137 61 L CA -0.274 54.646 54.840 0.134 0.000 0.909 61 L CB -0.313 41.883 42.059 0.230 0.000 1.137 61 L HN 0.198 nan 8.230 nan 0.000 0.470 62 D N 0.861 121.288 120.400 0.045 0.000 2.812 62 D HA -0.198 4.442 4.640 0.000 0.000 0.237 62 D C 0.188 176.508 176.300 0.034 0.000 1.162 62 D CA 0.624 54.641 54.000 0.029 0.000 0.740 62 D CB -0.700 40.119 40.800 0.031 0.000 1.000 62 D HN 0.216 nan 8.370 nan 0.000 0.416 63 S N 0.368 116.086 115.700 0.030 0.000 3.073 63 S HA 0.184 4.654 4.470 0.000 0.000 0.252 63 S C 1.614 176.221 174.600 0.013 0.000 0.953 63 S CA -0.570 57.650 58.200 0.032 0.000 1.105 63 S CB 0.222 63.459 63.200 0.062 0.000 1.070 63 S HN 0.399 nan 8.310 nan 0.000 0.574 64 L N 2.179 123.399 121.223 -0.005 0.000 2.265 64 L HA -0.141 4.199 4.340 0.000 0.000 0.215 64 L C 2.248 179.112 176.870 -0.011 0.000 1.117 64 L CA 1.269 56.098 54.840 -0.020 0.000 0.782 64 L CB -0.300 41.742 42.059 -0.029 0.000 0.914 64 L HN 0.491 nan 8.230 nan 0.000 0.441 65 D N 0.051 120.450 120.400 -0.002 0.000 2.263 65 D HA -0.157 4.483 4.640 0.000 0.000 0.208 65 D C 1.786 178.084 176.300 -0.002 0.000 0.971 65 D CA 1.455 55.454 54.000 -0.001 0.000 0.867 65 D CB -0.443 40.358 40.800 0.003 0.000 0.929 65 D HN 0.409 nan 8.370 nan 0.000 0.492 66 V N -0.657 119.257 119.914 -0.001 0.000 3.510 66 V HA 0.082 4.202 4.120 0.000 0.000 0.270 66 V C 0.832 176.918 176.094 -0.012 0.000 1.201 66 V CA 0.254 62.552 62.300 -0.004 0.000 1.166 66 V CB -1.094 30.732 31.823 0.005 0.000 0.825 66 V HN 0.197 nan 8.190 nan 0.000 0.484 67 V N -2.453 117.452 119.914 -0.015 0.000 3.040 67 V HA 0.594 4.715 4.120 0.000 0.000 0.312 67 V C -0.184 175.901 176.094 -0.015 0.000 1.115 67 V CA -0.960 61.326 62.300 -0.023 0.000 0.998 67 V CB 1.854 33.657 31.823 -0.034 0.000 1.042 67 V HN 0.228 nan 8.190 nan 0.000 0.433 68 N N 2.307 120.999 118.700 -0.015 0.000 2.605 68 N HA 0.204 4.944 4.740 0.000 0.000 0.258 68 N C 0.934 176.452 175.510 0.014 0.000 1.156 68 N CA 0.017 53.067 53.050 0.000 0.000 1.008 68 N CB 0.661 39.148 38.487 -0.001 0.000 1.354 68 N HN 0.810 nan 8.380 nan 0.000 0.509 69 K N 1.301 121.710 120.400 0.016 0.000 2.089 69 K HA -0.183 4.137 4.320 0.000 0.000 0.210 69 K C 0.786 177.420 176.600 0.057 0.000 1.048 69 K CA 1.447 57.750 56.287 0.028 0.000 0.926 69 K CB 0.207 32.720 32.500 0.021 0.000 0.714 69 K HN 0.514 nan 8.250 nan 0.000 0.448 70 D N 1.029 121.464 120.400 0.058 0.000 2.117 70 D HA -0.147 4.494 4.640 0.000 0.000 0.197 70 D C 1.563 177.929 176.300 0.110 0.000 0.987 70 D CA 1.174 55.223 54.000 0.082 0.000 0.829 70 D CB -0.189 40.649 40.800 0.064 0.000 0.961 70 D HN 0.211 nan 8.370 nan 0.000 0.460 71 D N 0.855 121.309 120.400 0.091 0.000 2.097 71 D HA -0.081 4.560 4.640 0.000 0.000 0.195 71 D C 2.376 178.782 176.300 0.177 0.000 0.989 71 D CA 0.415 54.484 54.000 0.114 0.000 0.827 71 D CB -0.270 40.564 40.800 0.057 0.000 0.966 71 D HN 0.287 nan 8.370 nan 0.000 0.456 72 I N 0.903 121.557 120.570 0.139 0.000 2.226 72 I HA -0.219 3.951 4.170 0.000 0.000 0.245 72 I C 2.435 178.708 176.117 0.260 0.000 1.100 72 I CA 0.690 62.110 61.300 0.200 0.000 1.374 72 I CB -0.175 37.887 38.000 0.103 0.000 1.057 72 I HN -0.043 nan 8.210 nan 0.000 0.413 73 I N 0.475 121.156 120.570 0.184 0.000 2.286 73 I HA -0.253 3.917 4.170 0.000 0.000 0.248 73 I C 2.521 178.801 176.117 0.272 0.000 1.115 73 I CA 1.190 62.596 61.300 0.176 0.000 1.392 73 I CB -0.396 37.716 38.000 0.187 0.000 1.065 73 I HN 0.249 nan 8.210 nan 0.000 0.418 74 E N -0.077 120.305 120.200 0.303 0.000 2.072 74 E HA -0.250 4.100 4.350 0.000 0.000 0.191 74 E C 1.726 178.536 176.600 0.349 0.000 0.985 74 E CA 1.139 57.742 56.400 0.338 0.000 0.801 74 E CB -0.442 29.464 29.700 0.343 0.000 0.750 74 E HN 0.607 nan 8.360 nan 0.000 0.452 75 W N 1.870 123.303 121.300 0.222 0.000 2.355 75 W HA -0.129 4.531 4.660 0.000 0.000 0.309 75 W C 1.995 178.578 176.519 0.107 0.000 1.206 75 W CA 1.398 58.874 57.345 0.218 0.000 1.284 75 W CB -0.485 29.073 29.460 0.162 0.000 1.145 75 W HN -0.065 nan 8.180 nan 0.000 0.502 76 I N -0.555 119.999 120.570 -0.026 0.000 2.163 76 I HA -0.376 3.794 4.170 0.000 0.000 0.243 76 I C 2.124 178.127 176.117 -0.190 0.000 1.085 76 I CA 1.517 62.645 61.300 -0.287 0.000 1.347 76 I CB -0.888 36.995 38.000 -0.193 0.000 1.044 76 I HN -0.065 nan 8.210 nan 0.000 0.408 77 Y N 1.053 121.339 120.300 -0.024 0.000 2.403 77 Y HA -0.202 4.348 4.550 0.000 0.000 0.291 77 Y C 2.901 178.651 175.900 -0.250 0.000 1.143 77 Y CA 1.314 59.379 58.100 -0.059 0.000 1.257 77 Y CB -0.597 37.840 38.460 -0.039 0.000 0.984 77 Y HN 0.275 nan 8.280 nan 0.000 0.550 78 S N -1.092 114.470 115.700 -0.230 0.000 2.522 78 S HA -0.042 4.428 4.470 0.000 0.000 0.227 78 S C 1.491 175.864 174.600 -0.379 0.000 0.986 78 S CA 0.572 58.492 58.200 -0.466 0.000 0.929 78 S CB -0.596 62.120 63.200 -0.806 0.000 0.769 78 S HN 0.483 nan 8.310 nan 0.000 0.529 79 L N 0.506 121.519 121.223 -0.351 0.000 2.567 79 L HA 0.284 4.624 4.340 0.000 0.000 0.225 79 L C 1.274 177.926 176.870 -0.364 0.000 1.119 79 L CA -0.045 54.611 54.840 -0.305 0.000 0.871 79 L CB -0.175 41.702 42.059 -0.304 0.000 1.036 79 L HN 0.404 nan 8.230 nan 0.000 0.459 80 Q N 1.390 120.845 119.800 -0.574 0.000 2.304 80 Q HA 0.192 4.532 4.340 0.000 0.000 0.260 80 Q C -0.715 174.966 176.000 -0.531 0.000 0.965 80 Q CA -0.234 54.969 55.803 -0.999 0.000 0.898 80 Q CB 1.447 29.555 28.738 -1.050 0.000 1.196 80 Q HN -0.024 nan 8.270 nan 0.000 0.402 81 V N 6.930 126.571 119.914 -0.456 0.000 2.356 81 V HA 0.174 4.294 4.120 0.000 0.000 0.258 81 V C 0.166 176.118 176.094 -0.237 0.000 1.065 81 V CA -0.153 61.986 62.300 -0.268 0.000 0.935 81 V CB 0.150 31.860 31.823 -0.188 0.000 1.061 81 V HN 0.729 nan 8.190 nan 0.000 0.484 82 L N 7.939 129.042 121.223 -0.200 0.000 2.379 82 L HA 0.500 4.840 4.340 0.000 0.000 0.269 82 L C -1.889 174.912 176.870 -0.115 0.000 1.084 82 L CA -1.853 52.893 54.840 -0.157 0.000 0.802 82 L CB 1.449 43.420 42.059 -0.147 0.000 1.175 82 L HN 0.384 nan 8.230 nan 0.000 0.448 83 P HA 0.076 nan 4.420 nan 0.000 0.271 83 P C -0.504 176.755 177.300 -0.069 0.000 1.216 83 P CA -0.368 62.687 63.100 -0.076 0.000 0.776 83 P CB 0.619 32.279 31.700 -0.068 0.000 0.881 84 T N -1.608 112.910 114.554 -0.060 0.000 2.766 84 T HA 0.237 4.587 4.350 0.000 0.000 0.295 84 T C 1.755 176.426 174.700 -0.048 0.000 1.024 84 T CA 0.281 62.350 62.100 -0.052 0.000 1.018 84 T CB -0.289 68.551 68.868 -0.046 0.000 1.002 84 T HN 0.452 nan 8.240 nan 0.000 0.532 85 E N 1.114 121.288 120.200 -0.043 0.000 2.065 85 E HA -0.245 4.105 4.350 0.000 0.000 0.201 85 E C 1.543 178.121 176.600 -0.037 0.000 1.016 85 E CA 1.907 58.284 56.400 -0.039 0.000 0.818 85 E CB -1.382 28.297 29.700 -0.035 0.000 0.749 85 E HN 0.970 nan 8.360 nan 0.000 0.453 86 D N -0.552 119.826 120.400 -0.036 0.000 2.336 86 D HA -0.036 4.604 4.640 0.000 0.000 0.229 86 D C 0.289 176.567 176.300 -0.036 0.000 1.061 86 D CA 0.309 54.289 54.000 -0.034 0.000 0.875 86 D CB -0.515 40.265 40.800 -0.032 0.000 0.904 86 D HN 0.490 nan 8.370 nan 0.000 0.525 87 R N 0.071 120.546 120.500 -0.040 0.000 3.387 87 R HA -0.170 4.170 4.340 0.000 0.000 0.254 87 R C 0.489 176.765 176.300 -0.040 0.000 1.006 87 R CA 0.917 56.992 56.100 -0.042 0.000 0.677 87 R CB -2.726 27.549 30.300 -0.040 0.000 1.063 87 R HN 0.451 nan 8.270 nan 0.000 0.453 88 S N -0.148 115.528 115.700 -0.040 0.000 2.577 88 S HA 0.010 4.480 4.470 0.000 0.000 0.219 88 S C 0.878 175.453 174.600 -0.043 0.000 0.962 88 S CA 0.086 58.262 58.200 -0.039 0.000 0.921 88 S CB 0.144 63.321 63.200 -0.039 0.000 0.789 88 S HN 0.541 nan 8.310 nan 0.000 0.497 89 N N 0.940 119.612 118.700 -0.046 0.000 2.365 89 N HA 0.207 4.947 4.740 0.000 0.000 0.257 89 N C 0.757 176.238 175.510 -0.049 0.000 1.287 89 N CA -0.405 52.616 53.050 -0.048 0.000 0.882 89 N CB -0.539 37.917 38.487 -0.052 0.000 1.250 89 N HN 0.316 nan 8.380 nan 0.000 0.507 90 L N 0.301 121.497 121.223 -0.044 0.000 2.042 90 L HA -0.129 4.211 4.340 0.000 0.000 0.210 90 L C 1.020 177.868 176.870 -0.038 0.000 1.076 90 L CA 1.397 56.211 54.840 -0.043 0.000 0.749 90 L CB -0.256 41.780 42.059 -0.038 0.000 0.893 90 L HN 0.090 nan 8.230 nan 0.000 0.432 91 D N 0.063 120.443 120.400 -0.034 0.000 2.403 91 D HA -0.109 4.531 4.640 0.000 0.000 0.227 91 D C 1.513 177.795 176.300 -0.030 0.000 0.995 91 D CA 0.868 54.852 54.000 -0.028 0.000 0.928 91 D CB 0.039 40.823 40.800 -0.027 0.000 0.887 91 D HN 0.394 nan 8.370 nan 0.000 0.529 92 R N -0.789 119.688 120.500 -0.038 0.000 2.565 92 R HA 0.208 4.548 4.340 0.000 0.000 0.347 92 R C 0.058 176.328 176.300 -0.049 0.000 1.010 92 R CA -0.256 55.820 56.100 -0.039 0.000 1.126 92 R CB 0.539 30.814 30.300 -0.041 0.000 1.331 92 R HN 0.019 nan 8.270 nan 0.000 0.552 93 C N 0.618 119.886 119.300 -0.053 0.000 2.520 93 C HA 0.781 5.241 4.460 0.000 0.000 0.376 93 C C 1.398 176.356 174.990 -0.053 0.000 1.268 93 C CA 0.314 59.287 59.018 -0.074 0.000 2.414 93 C CB 1.003 28.696 27.740 -0.079 0.000 2.521 93 C HN 0.788 nan 8.230 nan 0.000 0.618 94 G N 0.616 109.364 108.800 -0.086 0.000 2.384 94 G HA2 0.260 4.220 3.960 0.000 0.000 0.150 94 G HA3 0.260 4.220 3.960 0.000 0.000 0.150 94 G C -1.644 173.202 174.900 -0.089 0.000 1.269 94 G CA -0.496 44.619 45.100 0.026 0.000 1.094 94 G HN 0.427 nan 8.290 nan 0.000 0.467 95 F N 1.338 121.245 119.950 -0.072 0.000 2.563 95 F HA 0.757 5.284 4.527 0.000 0.000 0.316 95 F C 0.841 176.598 175.800 -0.071 0.000 1.076 95 F CA -0.729 57.211 58.000 -0.102 0.000 0.921 95 F CB 2.140 41.053 39.000 -0.145 0.000 1.209 95 F HN 0.398 nan 8.300 nan 0.000 0.462 96 R N 0.213 120.743 120.500 0.050 0.000 2.532 96 R HA 0.466 4.806 4.340 0.000 0.000 0.272 96 R C 1.035 177.363 176.300 0.045 0.000 1.032 96 R CA -0.243 55.887 56.100 0.050 0.000 1.089 96 R CB 0.598 30.888 30.300 -0.018 0.000 1.098 96 R HN 0.918 nan 8.270 nan 0.000 0.526 97 G N -0.171 108.678 108.800 0.081 0.000 2.511 97 G HA2 -0.085 3.875 3.960 0.000 0.000 0.217 97 G HA3 -0.085 3.875 3.960 0.000 0.000 0.217 97 G C 0.260 175.201 174.900 0.068 0.000 1.133 97 G CA 0.846 45.955 45.100 0.016 0.000 0.792 97 G HN 0.632 nan 8.290 nan 0.000 0.539 98 S N -1.907 113.887 115.700 0.158 0.000 2.671 98 S HA 0.335 4.805 4.470 0.000 0.000 0.270 98 S C 0.271 174.987 174.600 0.193 0.000 1.166 98 S CA 0.461 58.784 58.200 0.205 0.000 0.868 98 S CB 0.697 64.077 63.200 0.299 0.000 1.190 98 S HN 0.514 nan 8.310 nan 0.000 0.494 99 S N 0.281 116.098 115.700 0.194 0.000 2.622 99 S HA 0.145 4.615 4.470 0.000 0.000 0.236 99 S C 1.225 175.860 174.600 0.058 0.000 0.956 99 S CA 0.124 58.371 58.200 0.079 0.000 0.971 99 S CB -1.357 61.923 63.200 0.134 0.000 0.782 99 S HN 1.036 nan 8.310 nan 0.000 0.468 100 Y N 0.476 120.803 120.300 0.044 0.000 2.465 100 Y HA 0.110 4.660 4.550 0.000 0.000 0.289 100 Y C 1.355 177.268 175.900 0.022 0.000 1.150 100 Y CA 0.181 58.305 58.100 0.040 0.000 1.293 100 Y CB -0.734 37.748 38.460 0.037 0.000 0.977 100 Y HN 0.327 nan 8.280 nan 0.000 0.556 101 L N 0.365 121.230 121.223 -0.597 0.000 2.492 101 L HA 0.187 4.527 4.340 0.000 0.000 0.223 101 L C 1.841 178.621 176.870 -0.149 0.000 1.132 101 L CA 0.898 55.471 54.840 -0.446 0.000 0.850 101 L CB -0.539 41.130 42.059 -0.650 0.000 0.966 101 L HN 0.637 nan 8.230 nan 0.000 0.454 102 G N 0.783 109.532 108.800 -0.084 0.000 2.132 102 G HA2 -0.263 3.697 3.960 0.000 0.000 0.234 102 G HA3 -0.263 3.697 3.960 0.000 0.000 0.234 102 G C 0.248 175.158 174.900 0.017 0.000 0.989 102 G CA -0.294 44.809 45.100 0.005 0.000 0.676 102 G HN 0.263 nan 8.290 nan 0.000 0.522 103 I N 2.806 123.358 120.570 -0.030 0.000 2.556 103 I HA 0.194 4.364 4.170 0.000 0.000 0.284 103 I C -0.845 175.284 176.117 0.020 0.000 1.114 103 I CA -1.610 59.685 61.300 -0.008 0.000 1.418 103 I CB 0.613 38.568 38.000 -0.074 0.000 1.394 103 I HN 0.015 nan 8.210 nan 0.000 0.552 104 P HA -0.097 nan 4.420 nan 0.000 0.261 104 P C -0.389 176.967 177.300 0.093 0.000 1.183 104 P CA -0.066 63.081 63.100 0.078 0.000 0.761 104 P CB 0.252 31.988 31.700 0.059 0.000 0.785 105 F N 3.868 123.824 119.950 0.011 0.000 2.548 105 F HA -0.047 4.480 4.527 0.000 0.000 0.403 105 F C 0.564 176.367 175.800 0.006 0.000 1.004 105 F CA 0.989 58.999 58.000 0.017 0.000 1.177 105 F CB -0.031 38.995 39.000 0.042 0.000 0.974 105 F HN 0.372 nan 8.300 nan 0.000 0.541 106 N N 7.552 125.931 118.700 -0.535 0.000 2.664 106 N HA 0.272 5.012 4.740 0.000 0.000 0.268 106 N C -2.906 172.325 175.510 -0.465 0.000 1.222 106 N CA -1.760 51.079 53.050 -0.352 0.000 0.805 106 N CB 1.302 39.684 38.487 -0.175 0.000 1.399 106 N HN 0.157 nan 8.380 nan 0.000 0.547 107 P HA 0.085 nan 4.420 nan 0.000 0.237 107 P C -0.703 176.501 177.300 -0.161 0.000 1.701 107 P CA 0.186 63.131 63.100 -0.258 0.000 0.955 107 P CB -0.609 31.041 31.700 -0.084 0.000 1.937 108 S N -1.296 114.299 115.700 -0.175 0.000 3.631 108 S HA -0.214 4.256 4.470 0.000 0.000 0.366 108 S C 1.290 175.784 174.600 -0.177 0.000 0.993 108 S CA 1.577 59.675 58.200 -0.171 0.000 1.167 108 S CB -1.652 61.447 63.200 -0.169 0.000 0.909 108 S HN 0.741 nan 8.310 nan 0.000 0.478 109 K N 0.130 120.447 120.400 -0.138 0.000 2.253 109 K HA 0.516 4.836 4.320 0.000 0.000 0.225 109 K C 0.812 177.360 176.600 -0.087 0.000 1.037 109 K CA 1.117 57.342 56.287 -0.104 0.000 0.928 109 K CB -1.296 31.162 32.500 -0.069 0.000 1.057 109 K HN 0.917 nan 8.250 nan 0.000 0.462 110 N N 1.089 119.746 118.700 -0.072 0.000 2.294 110 N HA 0.511 5.251 4.740 0.000 0.000 0.248 110 N C -0.601 174.866 175.510 -0.072 0.000 1.300 110 N CA -0.422 52.592 53.050 -0.061 0.000 0.925 110 N CB -1.045 37.415 38.487 -0.045 0.000 1.188 110 N HN 0.706 nan 8.380 nan 0.000 0.512 111 P HA 0.517 nan 4.420 nan 0.000 0.291 111 P C 0.596 177.852 177.300 -0.073 0.000 1.287 111 P CA 0.962 64.022 63.100 -0.066 0.000 0.767 111 P CB -0.261 31.407 31.700 -0.053 0.000 1.290 112 G N -1.545 107.212 108.800 -0.071 0.000 2.322 112 G HA2 0.563 4.523 3.960 0.000 0.000 0.309 112 G HA3 0.563 4.523 3.960 0.000 0.000 0.309 112 G C 0.268 175.135 174.900 -0.054 0.000 1.121 112 G CA 0.904 45.959 45.100 -0.075 0.000 0.886 112 G HN 0.804 nan 8.290 nan 0.000 0.447 113 T N 1.017 115.543 114.554 -0.048 0.000 2.775 113 T HA 0.606 4.956 4.350 0.000 0.000 0.287 113 T C 0.884 175.582 174.700 -0.003 0.000 0.909 113 T CA 0.225 62.312 62.100 -0.023 0.000 1.081 113 T CB -0.001 68.860 68.868 -0.012 0.000 0.891 113 T HN 1.212 nan 8.240 nan 0.000 0.544 114 A N 3.803 126.617 122.820 -0.009 0.000 2.584 114 A HA 0.445 4.765 4.320 0.000 0.000 0.239 114 A C 0.284 177.893 177.584 0.043 0.000 1.043 114 A CA 0.228 52.264 52.037 -0.002 0.000 0.756 114 A CB -0.142 18.841 19.000 -0.027 0.000 0.963 114 A HN 0.982 nan 8.150 nan 0.000 0.511 115 H N 3.168 122.200 119.070 -0.064 0.000 3.042 115 H HA 0.323 4.879 4.556 0.000 0.000 0.345 115 H C -2.422 172.853 175.328 -0.088 0.000 1.052 115 H CA -1.450 54.567 56.048 -0.052 0.000 1.311 115 H CB 1.953 31.691 29.762 -0.039 0.000 1.810 115 H HN 0.356 nan 8.280 nan 0.000 0.505 116 P HA -0.127 nan 4.420 nan 0.000 0.217 116 P C -0.022 177.030 177.300 -0.414 0.000 1.148 116 P CA 1.532 64.477 63.100 -0.258 0.000 0.834 116 P CB 0.092 31.584 31.700 -0.346 0.000 0.783 117 Y N -2.628 117.899 120.300 0.378 0.000 2.707 117 Y HA 0.273 4.823 4.550 0.000 0.000 0.249 117 Y C 0.143 176.029 175.900 -0.023 0.000 1.166 117 Y CA -0.997 57.194 58.100 0.151 0.000 1.184 117 Y CB 0.019 38.568 38.460 0.149 0.000 1.240 117 Y HN -0.158 nan 8.280 nan 0.000 0.547 118 D N 1.462 121.863 120.400 0.001 0.000 2.280 118 D HA 0.481 5.121 4.640 0.000 0.000 0.243 118 D C -0.214 176.045 176.300 -0.068 0.000 1.129 118 D CA 0.111 54.016 54.000 -0.159 0.000 0.848 118 D CB 0.792 41.430 40.800 -0.270 0.000 1.107 118 D HN 0.156 nan 8.370 nan 0.000 0.471 119 S N 1.559 117.229 115.700 -0.048 0.000 2.615 119 S HA 0.773 5.243 4.470 0.000 0.000 0.269 119 S C 0.170 174.765 174.600 -0.008 0.000 1.161 119 S CA -0.846 57.336 58.200 -0.030 0.000 0.817 119 S CB 0.864 64.059 63.200 -0.007 0.000 1.131 119 S HN 0.457 nan 8.310 nan 0.000 0.467 120 G N -0.092 108.703 108.800 -0.009 0.000 2.580 120 G HA2 0.503 4.463 3.960 0.000 0.000 0.278 120 G HA3 0.503 4.463 3.960 0.000 0.000 0.278 120 G C -0.843 174.099 174.900 0.071 0.000 1.212 120 G CA -0.293 44.827 45.100 0.033 0.000 0.939 120 G HN 0.865 nan 8.290 nan 0.000 0.513 121 H N 0.624 119.691 119.070 -0.005 0.000 2.744 121 H HA 0.228 4.784 4.556 0.000 0.000 0.339 121 H C 1.047 176.335 175.328 -0.067 0.000 1.004 121 H CA -0.706 55.313 56.048 -0.048 0.000 1.257 121 H CB 1.786 31.535 29.762 -0.021 0.000 1.552 121 H HN 0.384 nan 8.280 nan 0.000 0.522 122 I N 3.996 124.416 120.570 -0.251 0.000 2.185 122 I HA -0.343 3.827 4.170 0.000 0.000 0.246 122 I C 1.946 178.103 176.117 0.067 0.000 1.088 122 I CA 1.958 63.176 61.300 -0.138 0.000 1.347 122 I CB -0.068 37.751 38.000 -0.302 0.000 1.041 122 I HN 0.710 nan 8.210 nan 0.000 0.415 123 A N -0.134 122.850 122.820 0.272 0.000 2.014 123 A HA -0.148 4.172 4.320 0.000 0.000 0.218 123 A C 2.118 179.781 177.584 0.131 0.000 1.163 123 A CA 1.173 53.400 52.037 0.318 0.000 0.652 123 A CB -0.292 18.959 19.000 0.419 0.000 0.808 123 A HN 0.428 nan 8.150 nan 0.000 0.449 124 M N -0.793 118.888 119.600 0.136 0.000 2.287 124 M HA -0.018 4.462 4.480 0.000 0.000 0.266 124 M C 2.057 178.304 176.300 -0.089 0.000 1.079 124 M CA 1.626 56.911 55.300 -0.025 0.000 1.146 124 M CB -1.976 30.643 32.600 0.031 0.000 1.374 124 M HN 0.335 nan 8.290 nan 0.000 0.435 125 T N 0.446 115.014 114.554 0.022 0.000 2.746 125 T HA -0.176 4.174 4.350 0.000 0.000 0.267 125 T C 1.699 176.287 174.700 -0.187 0.000 1.039 125 T CA 1.500 63.587 62.100 -0.023 0.000 1.142 125 T CB -0.469 68.454 68.868 0.091 0.000 0.866 125 T HN 0.353 nan 8.240 nan 0.000 0.444 126 Y N 2.944 123.108 120.300 -0.227 0.000 2.109 126 Y HA -0.185 4.365 4.550 0.000 0.000 0.285 126 Y C 2.714 178.380 175.900 -0.391 0.000 1.131 126 Y CA 1.863 59.791 58.100 -0.285 0.000 1.121 126 Y CB -1.247 37.066 38.460 -0.244 0.000 0.987 126 Y HN 0.297 nan 8.280 nan 0.000 0.495 127 T N -2.029 111.976 114.554 -0.915 0.000 2.915 127 T HA -0.030 4.320 4.350 0.000 0.000 0.269 127 T C 2.209 176.519 174.700 -0.651 0.000 1.071 127 T CA 1.073 62.520 62.100 -1.090 0.000 1.132 127 T CB -1.325 67.017 68.868 -0.877 0.000 0.878 127 T HN 0.428 nan 8.240 nan 0.000 0.479 128 G N 1.970 110.400 108.800 -0.616 0.000 2.453 128 G HA2 -0.045 3.915 3.960 0.000 0.000 0.215 128 G HA3 -0.045 3.915 3.960 0.000 0.000 0.215 128 G C 1.497 175.946 174.900 -0.752 0.000 1.201 128 G CA 0.736 45.376 45.100 -0.766 0.000 0.784 128 G HN 0.505 nan 8.290 nan 0.000 0.545 129 L N 0.583 121.366 121.223 -0.733 0.000 2.042 129 L HA -0.122 4.218 4.340 0.000 0.000 0.210 129 L C 3.108 179.807 176.870 -0.284 0.000 1.076 129 L CA 1.367 55.944 54.840 -0.437 0.000 0.749 129 L CB -0.514 41.391 42.059 -0.257 0.000 0.893 129 L HN 0.343 nan 8.230 nan 0.000 0.432 130 S N -0.940 114.570 115.700 -0.318 0.000 2.370 130 S HA -0.227 4.243 4.470 0.000 0.000 0.226 130 S C 2.168 176.696 174.600 -0.119 0.000 1.033 130 S CA 1.633 59.705 58.200 -0.214 0.000 1.011 130 S CB -0.306 62.630 63.200 -0.440 0.000 0.852 130 S HN 0.506 nan 8.310 nan 0.000 0.457 131 C N 1.000 120.203 119.300 -0.161 0.000 2.446 131 C HA 0.079 4.539 4.460 0.000 0.000 0.277 131 C C 2.517 177.436 174.990 -0.118 0.000 1.275 131 C CA 0.533 59.488 59.018 -0.104 0.000 1.727 131 C CB -1.546 26.127 27.740 -0.111 0.000 2.010 131 C HN 0.585 nan 8.230 nan 0.000 0.486 132 L N 0.407 121.522 121.223 -0.179 0.000 2.042 132 L HA -0.192 4.148 4.340 0.000 0.000 0.210 132 L C 2.386 179.218 176.870 -0.064 0.000 1.076 132 L CA 1.652 56.409 54.840 -0.139 0.000 0.749 132 L CB -0.562 41.374 42.059 -0.205 0.000 0.893 132 L HN 0.367 nan 8.230 nan 0.000 0.432 133 I N -0.239 120.291 120.570 -0.067 0.000 2.226 133 I HA -0.314 3.856 4.170 0.000 0.000 0.245 133 I C 2.427 178.518 176.117 -0.044 0.000 1.100 133 I CA 1.466 62.737 61.300 -0.048 0.000 1.374 133 I CB -0.238 37.729 38.000 -0.055 0.000 1.057 133 I HN 0.183 nan 8.210 nan 0.000 0.413 134 I N 0.552 121.092 120.570 -0.050 0.000 2.286 134 I HA -0.289 3.881 4.170 0.000 0.000 0.248 134 I C 2.189 178.278 176.117 -0.046 0.000 1.115 134 I CA 1.487 62.755 61.300 -0.053 0.000 1.392 134 I CB -0.259 37.692 38.000 -0.082 0.000 1.065 134 I HN 0.226 nan 8.210 nan 0.000 0.418 135 L N 0.222 121.422 121.223 -0.039 0.000 2.552 135 L HA 0.085 4.425 4.340 0.000 0.000 0.227 135 L C 1.678 178.548 176.870 -0.000 0.000 1.146 135 L CA 0.752 55.581 54.840 -0.018 0.000 0.858 135 L CB -0.349 41.706 42.059 -0.006 0.000 0.969 135 L HN 0.544 nan 8.230 nan 0.000 0.451 136 G N -0.767 108.031 108.800 -0.004 0.000 2.194 136 G HA2 -0.258 3.702 3.960 0.000 0.000 0.236 136 G HA3 -0.258 3.702 3.960 0.000 0.000 0.236 136 G C 0.246 175.164 174.900 0.030 0.000 0.987 136 G CA 0.077 45.181 45.100 0.006 0.000 0.635 136 G HN 0.368 nan 8.290 nan 0.000 0.520 137 D N 1.134 121.565 120.400 0.052 0.000 2.378 137 D HA 0.262 4.902 4.640 0.000 0.000 0.238 137 D C 1.110 177.472 176.300 0.103 0.000 1.180 137 D CA 0.823 54.886 54.000 0.106 0.000 0.895 137 D CB 0.675 41.568 40.800 0.155 0.000 1.192 137 D HN 0.360 nan 8.370 nan 0.000 0.438 138 D N 0.935 121.424 120.400 0.149 0.000 2.363 138 D HA 0.050 4.690 4.640 0.000 0.000 0.214 138 D C 0.964 177.449 176.300 0.308 0.000 1.093 138 D CA -0.325 53.778 54.000 0.173 0.000 0.837 138 D CB -0.048 40.849 40.800 0.162 0.000 0.948 138 D HN 0.245 nan 8.370 nan 0.000 0.507 139 L N 0.313 121.721 121.223 0.309 0.000 4.496 139 L HA -0.285 4.055 4.340 0.000 0.000 0.419 139 L C 1.723 178.764 176.870 0.286 0.000 1.139 139 L CA 0.999 56.056 54.840 0.361 0.000 0.975 139 L CB -2.958 39.356 42.059 0.424 0.000 2.099 139 L HN 0.322 nan 8.230 nan 0.000 0.818 140 S N -1.328 114.501 115.700 0.215 0.000 2.402 140 S HA -0.100 4.370 4.470 0.000 0.000 0.229 140 S C 1.683 176.288 174.600 0.008 0.000 1.021 140 S CA 1.174 59.427 58.200 0.089 0.000 0.974 140 S CB -0.199 63.040 63.200 0.065 0.000 0.800 140 S HN 0.655 nan 8.310 nan 0.000 0.484 141 R N 0.756 121.239 120.500 -0.028 0.000 2.310 141 R HA 0.294 4.634 4.340 0.000 0.000 0.202 141 R C -0.493 175.827 176.300 0.034 0.000 0.933 141 R CA -0.038 55.941 56.100 -0.202 0.000 1.054 141 R CB 0.052 29.863 30.300 -0.814 0.000 0.985 141 R HN 0.253 nan 8.270 nan 0.000 0.489 142 V N 2.157 122.201 119.914 0.216 0.000 2.432 142 V HA -0.003 4.117 4.120 0.000 0.000 0.271 142 V C 0.203 176.332 176.094 0.059 0.000 1.046 142 V CA -0.516 61.928 62.300 0.239 0.000 0.945 142 V CB 1.222 33.213 31.823 0.280 0.000 0.992 142 V HN 0.086 nan 8.190 nan 0.000 0.471 143 D N 5.039 125.447 120.400 0.012 0.000 2.498 143 D HA 0.082 4.722 4.640 0.000 0.000 0.229 143 D C 1.293 177.570 176.300 -0.038 0.000 1.188 143 D CA 0.066 54.040 54.000 -0.043 0.000 1.028 143 D CB 0.487 41.247 40.800 -0.066 0.000 1.087 143 D HN 0.512 nan 8.370 nan 0.000 0.510 144 K N 1.552 121.913 120.400 -0.065 0.000 2.044 144 K HA -0.178 4.142 4.320 0.000 0.000 0.210 144 K C 1.476 178.032 176.600 -0.073 0.000 1.049 144 K CA 0.936 57.175 56.287 -0.080 0.000 0.927 144 K CB 0.260 32.656 32.500 -0.174 0.000 0.713 144 K HN 0.336 nan 8.250 nan 0.000 0.443 145 E N 0.426 120.577 120.200 -0.082 0.000 2.153 145 E HA -0.134 4.216 4.350 0.000 0.000 0.194 145 E C 2.001 178.571 176.600 -0.050 0.000 0.988 145 E CA 1.056 57.417 56.400 -0.066 0.000 0.811 145 E CB -0.140 29.520 29.700 -0.067 0.000 0.746 145 E HN 0.334 nan 8.360 nan 0.000 0.466 146 A N 0.639 123.428 122.820 -0.051 0.000 1.898 146 A HA -0.163 4.157 4.320 0.000 0.000 0.216 146 A C 2.628 180.192 177.584 -0.035 0.000 1.181 146 A CA 1.278 53.286 52.037 -0.048 0.000 0.620 146 A CB -0.875 18.088 19.000 -0.062 0.000 0.819 146 A HN 0.335 nan 8.150 nan 0.000 0.442 147 C N -0.597 118.690 119.300 -0.022 0.000 2.413 147 C HA -0.080 4.380 4.460 0.000 0.000 0.276 147 C C 2.648 177.633 174.990 -0.008 0.000 1.248 147 C CA 1.084 60.105 59.018 0.004 0.000 1.742 147 C CB -1.524 26.244 27.740 0.046 0.000 2.017 147 C HN 0.623 nan 8.230 nan 0.000 0.481 148 L N 0.951 122.160 121.223 -0.023 0.000 2.083 148 L HA -0.136 4.204 4.340 0.000 0.000 0.209 148 L C 2.861 179.729 176.870 -0.003 0.000 1.083 148 L CA 1.515 56.342 54.840 -0.022 0.000 0.752 148 L CB -0.775 41.262 42.059 -0.036 0.000 0.899 148 L HN 0.342 nan 8.230 nan 0.000 0.433 149 A N 0.400 123.213 122.820 -0.012 0.000 1.898 149 A HA -0.095 4.225 4.320 0.000 0.000 0.216 149 A C 2.419 180.002 177.584 -0.002 0.000 1.181 149 A CA 1.642 53.674 52.037 -0.008 0.000 0.620 149 A CB -1.170 17.817 19.000 -0.021 0.000 0.819 149 A HN 0.425 nan 8.150 nan 0.000 0.442 150 G N -0.440 108.357 108.800 -0.006 0.000 2.422 150 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 150 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 150 G C 1.578 176.491 174.900 0.021 0.000 1.146 150 G CA 0.895 45.993 45.100 -0.003 0.000 0.769 150 G HN 0.403 nan 8.290 nan 0.000 0.547 151 L N -0.159 121.084 121.223 0.033 0.000 1.994 151 L HA -0.071 4.269 4.340 0.000 0.000 0.208 151 L C 3.240 180.217 176.870 0.179 0.000 1.071 151 L CA 1.268 56.159 54.840 0.086 0.000 0.745 151 L CB -0.280 41.802 42.059 0.039 0.000 0.892 151 L HN 0.205 nan 8.230 nan 0.000 0.431 152 R N -0.490 120.080 120.500 0.116 0.000 2.103 152 R HA -0.209 4.131 4.340 0.000 0.000 0.242 152 R C 2.162 178.481 176.300 0.031 0.000 1.142 152 R CA 1.472 57.626 56.100 0.090 0.000 0.960 152 R CB -0.501 29.827 30.300 0.045 0.000 0.858 152 R HN 0.436 nan 8.270 nan 0.000 0.439 153 A N 0.758 123.591 122.820 0.020 0.000 2.125 153 A HA -0.084 4.236 4.320 0.000 0.000 0.219 153 A C 1.987 179.559 177.584 -0.020 0.000 1.156 153 A CA 1.025 53.056 52.037 -0.010 0.000 0.671 153 A CB -0.297 18.696 19.000 -0.011 0.000 0.794 153 A HN 0.204 nan 8.150 nan 0.000 0.459 154 L N -1.089 120.148 121.223 0.024 0.000 2.446 154 L HA 0.050 4.390 4.340 0.000 0.000 0.219 154 L C 1.386 178.182 176.870 -0.124 0.000 1.116 154 L CA 0.009 54.866 54.840 0.029 0.000 0.844 154 L CB -0.187 41.966 42.059 0.157 0.000 0.970 154 L HN 0.489 nan 8.230 nan 0.000 0.457 155 Q N 1.380 120.963 119.800 -0.361 0.000 2.314 155 Q HA 0.322 4.662 4.340 0.000 0.000 0.258 155 Q C -0.581 175.165 176.000 -0.424 0.000 0.954 155 Q CA -0.115 55.181 55.803 -0.845 0.000 0.890 155 Q CB 0.942 29.073 28.738 -1.013 0.000 1.210 155 Q HN 0.234 nan 8.270 nan 0.000 0.410 156 L N 2.432 123.420 121.223 -0.393 0.000 2.448 156 L HA 0.305 4.645 4.340 0.000 0.000 0.258 156 L C 1.817 178.584 176.870 -0.171 0.000 1.104 156 L CA 0.060 54.772 54.840 -0.212 0.000 0.800 156 L CB 0.481 42.446 42.059 -0.156 0.000 1.241 156 L HN 0.905 nan 8.230 nan 0.000 0.472 157 E N 0.772 120.914 120.200 -0.096 0.000 2.118 157 E HA -0.267 4.083 4.350 0.000 0.000 0.195 157 E C 1.303 177.879 176.600 -0.040 0.000 0.992 157 E CA 1.709 58.073 56.400 -0.060 0.000 0.804 157 E CB -0.854 28.827 29.700 -0.031 0.000 0.741 157 E HN 0.881 nan 8.360 nan 0.000 0.458 158 D N -1.918 118.469 120.400 -0.023 0.000 2.363 158 D HA 0.220 4.860 4.640 0.000 0.000 0.226 158 D C 1.515 177.855 176.300 0.066 0.000 1.020 158 D CA 1.256 55.289 54.000 0.055 0.000 0.892 158 D CB -0.033 40.850 40.800 0.139 0.000 0.900 158 D HN 0.890 nan 8.370 nan 0.000 0.531 159 G N -0.235 108.516 108.800 -0.081 0.000 2.234 159 G HA2 -0.288 3.672 3.960 0.000 0.000 0.235 159 G HA3 -0.288 3.672 3.960 0.000 0.000 0.235 159 G C 0.543 175.273 174.900 -0.284 0.000 0.997 159 G CA 0.446 45.483 45.100 -0.105 0.000 0.623 159 G HN 0.838 nan 8.290 nan 0.000 0.514 160 S N -0.191 115.187 115.700 -0.537 0.000 2.661 160 S HA 0.814 5.284 4.470 0.000 0.000 0.265 160 S C -0.168 174.197 174.600 -0.391 0.000 1.225 160 S CA -0.320 57.494 58.200 -0.643 0.000 0.986 160 S CB 1.255 63.736 63.200 -1.197 0.000 1.008 160 S HN 0.554 nan 8.310 nan 0.000 0.565 161 F N -1.254 118.617 119.950 -0.131 0.000 2.593 161 F HA 0.590 5.117 4.527 0.000 0.000 0.320 161 F C 0.364 176.233 175.800 0.115 0.000 1.060 161 F CA -1.002 56.998 58.000 0.000 0.000 0.940 161 F CB 1.512 40.538 39.000 0.043 0.000 1.268 161 F HN 0.670 nan 8.300 nan 0.000 0.475 162 C N 0.503 119.916 119.300 0.187 0.000 2.345 162 C HA 0.696 5.156 4.460 0.000 0.000 0.370 162 C C 1.470 176.290 174.990 -0.284 0.000 1.209 162 C CA -0.031 59.026 59.018 0.065 0.000 2.133 162 C CB 1.348 29.084 27.740 -0.008 0.000 2.293 162 C HN 0.974 nan 8.230 nan 0.000 0.544 163 A N 0.338 122.767 122.820 -0.650 0.000 1.997 163 A HA 0.386 4.706 4.320 0.000 0.000 0.212 163 A C 0.576 177.758 177.584 -0.670 0.000 1.178 163 A CA 1.115 52.477 52.037 -1.125 0.000 0.698 163 A CB -0.165 17.884 19.000 -1.584 0.000 0.842 163 A HN 1.249 nan 8.150 nan 0.000 0.458 164 V N -4.789 114.912 119.914 -0.356 0.000 2.925 164 V HA 0.507 4.627 4.120 0.000 0.000 0.311 164 V C -2.351 173.693 176.094 -0.082 0.000 1.104 164 V CA -1.645 60.550 62.300 -0.174 0.000 0.954 164 V CB 1.835 33.611 31.823 -0.077 0.000 1.022 164 V HN 0.065 nan 8.190 nan 0.000 0.427 165 P HA -0.116 nan 4.420 nan 0.000 0.219 165 P C 0.894 178.191 177.300 -0.005 0.000 1.146 165 P CA 1.382 64.467 63.100 -0.025 0.000 0.808 165 P CB 0.415 32.102 31.700 -0.022 0.000 0.779 166 E N -0.250 119.960 120.200 0.016 0.000 2.418 166 E HA 0.244 4.594 4.350 0.000 0.000 0.197 166 E C 1.088 177.710 176.600 0.037 0.000 1.026 166 E CA 0.779 57.205 56.400 0.044 0.000 0.862 166 E CB -0.599 29.157 29.700 0.093 0.000 0.799 166 E HN 0.355 nan 8.360 nan 0.000 0.518 167 G N -0.404 108.406 108.800 0.017 0.000 2.674 167 G HA2 0.197 4.157 3.960 0.000 0.000 0.686 167 G HA3 0.197 4.157 3.960 0.000 0.000 0.686 167 G C -0.239 174.680 174.900 0.032 0.000 1.195 167 G CA -0.476 44.636 45.100 0.021 0.000 0.776 167 G HN 0.598 nan 8.290 nan 0.000 0.654 168 S N -0.548 115.179 115.700 0.044 0.000 2.671 168 S HA 0.746 5.217 4.470 0.000 0.000 0.270 168 S C -0.436 174.237 174.600 0.121 0.000 1.166 168 S CA 0.117 58.366 58.200 0.082 0.000 0.868 168 S CB 1.335 64.576 63.200 0.067 0.000 1.190 168 S HN 2.059 nan 8.310 nan 0.000 0.494 169 E N 1.453 121.760 120.200 0.179 0.000 2.392 169 E HA 0.316 4.666 4.350 0.000 0.000 0.259 169 E C -0.873 175.878 176.600 0.251 0.000 1.108 169 E CA -0.433 56.071 56.400 0.173 0.000 0.916 169 E CB 0.112 29.903 29.700 0.152 0.000 0.989 169 E HN 0.742 nan 8.360 nan 0.000 0.432 170 N N 0.818 119.614 118.700 0.161 0.000 2.295 170 N HA 0.379 5.119 4.740 0.000 0.000 0.293 170 N C -1.388 174.152 175.510 0.050 0.000 1.040 170 N CA -0.541 52.608 53.050 0.166 0.000 0.840 170 N CB 2.059 40.591 38.487 0.074 0.000 1.468 170 N HN 0.620 nan 8.380 nan 0.000 0.478 171 D N -0.027 120.361 120.400 -0.020 0.000 2.865 171 D HA 0.129 4.769 4.640 0.000 0.000 0.343 171 D C 0.637 176.928 176.300 -0.015 0.000 1.372 171 D CA -0.658 53.332 54.000 -0.017 0.000 0.862 171 D CB 0.451 41.209 40.800 -0.069 0.000 1.425 171 D HN 0.208 nan 8.370 nan 0.000 0.501 172 M N 0.046 119.719 119.600 0.121 0.000 2.149 172 M HA 0.042 4.522 4.480 0.000 0.000 0.261 172 M C 1.840 178.173 176.300 0.054 0.000 1.064 172 M CA 1.799 57.193 55.300 0.156 0.000 1.102 172 M CB -0.380 32.302 32.600 0.136 0.000 1.369 172 M HN 0.456 nan 8.290 nan 0.000 0.408 173 R N -1.333 119.096 120.500 -0.119 0.000 2.103 173 R HA -0.172 4.168 4.340 0.000 0.000 0.242 173 R C 2.048 178.385 176.300 0.062 0.000 1.142 173 R CA 2.012 58.043 56.100 -0.114 0.000 0.960 173 R CB -0.688 29.377 30.300 -0.391 0.000 0.858 173 R HN 0.432 nan 8.270 nan 0.000 0.439 174 F N -0.530 119.485 119.950 0.107 0.000 2.512 174 F HA -0.061 4.466 4.527 0.000 0.000 0.296 174 F C 2.208 177.956 175.800 -0.086 0.000 1.110 174 F CA -0.181 57.840 58.000 0.035 0.000 1.446 174 F CB 0.082 39.124 39.000 0.071 0.000 1.092 174 F HN -0.174 nan 8.300 nan 0.000 0.554 175 V N -0.384 119.632 119.914 0.169 0.000 2.427 175 V HA -0.315 3.805 4.120 0.000 0.000 0.248 175 V C 2.025 178.116 176.094 -0.005 0.000 1.051 175 V CA 1.715 64.068 62.300 0.088 0.000 1.048 175 V CB -0.714 31.246 31.823 0.228 0.000 0.666 175 V HN 0.387 nan 8.190 nan 0.000 0.456 176 Y N 0.268 120.549 120.300 -0.032 0.000 2.200 176 Y HA -0.251 4.299 4.550 0.000 0.000 0.290 176 Y C 2.532 178.306 175.900 -0.210 0.000 1.137 176 Y CA 1.640 59.697 58.100 -0.072 0.000 1.163 176 Y CB -0.734 37.738 38.460 0.019 0.000 0.988 176 Y HN 0.238 nan 8.280 nan 0.000 0.518 177 C N 0.401 119.525 119.300 -0.294 0.000 2.432 177 C HA -0.128 4.332 4.460 0.000 0.000 0.277 177 C C 3.081 177.771 174.990 -0.501 0.000 1.249 177 C CA 1.242 59.968 59.018 -0.486 0.000 1.725 177 C CB -1.757 25.942 27.740 -0.069 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.441 122.951 122.820 -0.517 0.000 1.883 178 A HA -0.179 4.141 4.320 0.000 0.000 0.217 178 A C 2.263 179.575 177.584 -0.453 0.000 1.186 178 A CA 2.414 54.060 52.037 -0.650 0.000 0.624 178 A CB -0.855 17.270 19.000 -1.458 0.000 0.822 178 A HN 0.566 nan 8.150 nan 0.000 0.444 179 S N -0.893 114.602 115.700 -0.341 0.000 2.356 179 S HA -0.207 4.263 4.470 0.000 0.000 0.223 179 S C 1.960 176.367 174.600 -0.321 0.000 1.032 179 S CA 1.451 59.567 58.200 -0.140 0.000 1.005 179 S CB -0.742 62.490 63.200 0.053 0.000 0.867 179 S HN 0.719 nan 8.310 nan 0.000 0.449 180 C N 1.334 120.322 119.300 -0.521 0.000 2.429 180 C HA -0.000 4.460 4.460 0.000 0.000 0.277 180 C C 2.449 177.286 174.990 -0.255 0.000 1.262 180 C CA 0.287 59.022 59.018 -0.471 0.000 1.733 180 C CB -1.382 25.802 27.740 -0.927 0.000 2.010 180 C HN 0.546 nan 8.230 nan 0.000 0.483 181 I N 0.081 120.474 120.570 -0.296 0.000 2.142 181 I HA -0.245 3.925 4.170 0.000 0.000 0.240 181 I C 2.579 178.530 176.117 -0.278 0.000 1.078 181 I CA 1.506 62.686 61.300 -0.199 0.000 1.343 181 I CB -0.550 37.339 38.000 -0.185 0.000 1.046 181 I HN 0.366 nan 8.210 nan 0.000 0.405 182 C N -0.256 118.747 119.300 -0.495 0.000 2.413 182 C HA -0.229 4.231 4.460 0.000 0.000 0.277 182 C C 2.796 177.250 174.990 -0.893 0.000 1.265 182 C CA 0.713 59.237 59.018 -0.824 0.000 1.752 182 C CB -1.066 25.843 27.740 -1.386 0.000 1.998 182 C HN 0.513 nan 8.230 nan 0.000 0.489 183 Y N 0.981 120.802 120.300 -0.800 0.000 2.163 183 Y HA -0.159 4.391 4.550 0.000 0.000 0.288 183 Y C 2.484 178.345 175.900 -0.064 0.000 1.136 183 Y CA 1.720 59.630 58.100 -0.317 0.000 1.147 183 Y CB -0.356 38.065 38.460 -0.064 0.000 0.987 183 Y HN 0.233 nan 8.280 nan 0.000 0.509 184 M N -0.613 119.051 119.600 0.106 0.000 2.175 184 M HA -0.174 4.306 4.480 0.000 0.000 0.264 184 M C 1.641 178.085 176.300 0.241 0.000 1.063 184 M CA 1.425 56.829 55.300 0.173 0.000 1.119 184 M CB -0.257 32.413 32.600 0.117 0.000 1.377 184 M HN 0.240 nan 8.290 nan 0.000 0.415 185 L N 0.039 121.310 121.223 0.081 0.000 2.627 185 L HA 0.032 4.372 4.340 0.000 0.000 0.233 185 L C 0.385 177.277 176.870 0.037 0.000 1.144 185 L CA -0.211 54.709 54.840 0.134 0.000 0.892 185 L CB -0.918 41.127 42.059 -0.024 0.000 1.039 185 L HN 0.425 nan 8.230 nan 0.000 0.442 186 N N 2.096 120.700 118.700 -0.159 0.000 2.707 186 N HA -0.272 4.468 4.740 0.000 0.000 0.253 186 N C -0.462 174.928 175.510 -0.200 0.000 0.998 186 N CA 0.445 53.276 53.050 -0.365 0.000 0.751 186 N CB -0.802 37.235 38.487 -0.749 0.000 0.920 186 N HN 0.454 nan 8.380 nan 0.000 0.539 187 N N -0.179 118.362 118.700 -0.265 0.000 2.578 187 N HA 0.163 4.903 4.740 0.000 0.000 0.282 187 N C -0.842 174.525 175.510 -0.239 0.000 1.119 187 N CA -0.527 52.440 53.050 -0.139 0.000 0.948 187 N CB 0.147 38.572 38.487 -0.104 0.000 1.546 187 N HN 0.259 nan 8.380 nan 0.000 0.525 188 W N 1.943 123.242 121.300 -0.002 0.000 3.400 188 W HA 0.160 4.820 4.660 0.000 0.000 0.347 188 W C 1.840 178.373 176.519 0.024 0.000 1.218 188 W CA -0.159 57.197 57.345 0.018 0.000 1.837 188 W CB 0.158 29.633 29.460 0.026 0.000 1.067 188 W HN 0.648 nan 8.180 nan 0.000 0.701 189 S N -1.320 114.461 115.700 0.134 0.000 2.555 189 S HA -0.006 4.464 4.470 0.000 0.000 0.230 189 S C 1.952 176.601 174.600 0.082 0.000 0.978 189 S CA 0.860 59.118 58.200 0.098 0.000 0.934 189 S CB -0.415 62.813 63.200 0.047 0.000 0.766 189 S HN 0.266 nan 8.310 nan 0.000 0.533 190 G N 1.381 110.218 108.800 0.062 0.000 2.598 190 G HA2 0.291 4.251 3.960 0.000 0.000 0.215 190 G HA3 0.291 4.251 3.960 0.000 0.000 0.215 190 G C 0.386 175.388 174.900 0.171 0.000 1.131 190 G CA 0.596 45.732 45.100 0.060 0.000 0.785 190 G HN 0.751 nan 8.290 nan 0.000 0.539 191 M N -2.245 117.492 119.600 0.228 0.000 2.578 191 M HA 0.478 4.958 4.480 0.000 0.000 0.276 191 M C -2.136 174.298 176.300 0.223 0.000 1.245 191 M CA -1.036 54.454 55.300 0.316 0.000 0.871 191 M CB 2.150 35.060 32.600 0.516 0.000 1.722 191 M HN -0.182 nan 8.290 nan 0.000 0.473 192 D N 2.298 122.791 120.400 0.156 0.000 2.494 192 D HA 0.232 4.872 4.640 0.000 0.000 0.217 192 D C 0.659 177.027 176.300 0.114 0.000 1.153 192 D CA -0.116 53.940 54.000 0.093 0.000 0.954 192 D CB 0.858 41.675 40.800 0.028 0.000 1.034 192 D HN 0.856 nan 8.370 nan 0.000 0.518 193 M N 2.910 122.586 119.600 0.126 0.000 2.144 193 M HA -0.265 4.215 4.480 0.000 0.000 0.260 193 M C 2.042 178.366 176.300 0.041 0.000 1.067 193 M CA 1.556 56.911 55.300 0.093 0.000 1.095 193 M CB 0.162 32.770 32.600 0.012 0.000 1.365 193 M HN 0.206 nan 8.290 nan 0.000 0.406 194 K N 0.530 120.943 120.400 0.021 0.000 2.057 194 K HA -0.172 4.148 4.320 0.000 0.000 0.207 194 K C 1.698 178.308 176.600 0.018 0.000 1.049 194 K CA 2.031 58.320 56.287 0.002 0.000 0.931 194 K CB -0.492 32.006 32.500 -0.003 0.000 0.714 194 K HN 0.638 nan 8.250 nan 0.000 0.440 195 K N -0.334 120.084 120.400 0.031 0.000 2.103 195 K HA 0.089 4.409 4.320 0.000 0.000 0.204 195 K C 2.463 179.112 176.600 0.082 0.000 1.052 195 K CA 1.073 57.382 56.287 0.037 0.000 0.945 195 K CB -0.340 32.162 32.500 0.005 0.000 0.722 195 K HN 0.387 nan 8.250 nan 0.000 0.443 196 A N 1.688 124.575 122.820 0.111 0.000 1.877 196 A HA -0.141 4.179 4.320 0.000 0.000 0.216 196 A C 2.114 179.797 177.584 0.165 0.000 1.186 196 A CA 1.234 53.384 52.037 0.188 0.000 0.620 196 A CB -0.581 18.577 19.000 0.264 0.000 0.822 196 A HN 0.158 nan 8.150 nan 0.000 0.443 197 I N -0.518 120.098 120.570 0.077 0.000 2.264 197 I HA -0.233 3.937 4.170 0.000 0.000 0.248 197 I C 2.842 178.954 176.117 -0.007 0.000 1.111 197 I CA 1.524 62.825 61.300 0.002 0.000 1.382 197 I CB -0.215 37.749 38.000 -0.060 0.000 1.060 197 I HN 0.437 nan 8.210 nan 0.000 0.418 198 S N 0.081 115.796 115.700 0.024 0.000 2.368 198 S HA -0.267 4.203 4.470 0.000 0.000 0.225 198 S C 2.174 176.800 174.600 0.044 0.000 1.030 198 S CA 1.303 59.512 58.200 0.016 0.000 0.999 198 S CB -0.423 62.794 63.200 0.029 0.000 0.844 198 S HN 0.501 nan 8.310 nan 0.000 0.459 199 Y N 1.776 122.078 120.300 0.003 0.000 2.181 199 Y HA -0.024 4.526 4.550 0.000 0.000 0.288 199 Y C 1.912 177.827 175.900 0.025 0.000 1.146 199 Y CA 1.774 59.886 58.100 0.019 0.000 1.164 199 Y CB -0.354 38.131 38.460 0.042 0.000 0.982 199 Y HN 0.300 nan 8.280 nan 0.000 0.515 200 I N -0.244 120.387 120.570 0.102 0.000 2.226 200 I HA -0.320 3.850 4.170 0.000 0.000 0.245 200 I C 2.525 178.640 176.117 -0.003 0.000 1.100 200 I CA 1.388 62.717 61.300 0.048 0.000 1.374 200 I CB -0.425 37.628 38.000 0.089 0.000 1.057 200 I HN 0.169 nan 8.210 nan 0.000 0.413 201 R N 0.646 121.117 120.500 -0.048 0.000 2.066 201 R HA -0.096 4.244 4.340 0.000 0.000 0.232 201 R C 2.353 178.642 176.300 -0.019 0.000 1.131 201 R CA 1.192 57.282 56.100 -0.016 0.000 0.955 201 R CB -0.276 29.969 30.300 -0.092 0.000 0.851 201 R HN 0.321 nan 8.270 nan 0.000 0.432 202 R N 0.463 120.903 120.500 -0.099 0.000 2.293 202 R HA -0.056 4.284 4.340 0.000 0.000 0.219 202 R C 2.118 178.306 176.300 -0.187 0.000 1.091 202 R CA 1.334 57.355 56.100 -0.131 0.000 1.004 202 R CB -0.035 30.175 30.300 -0.150 0.000 0.865 202 R HN 0.241 nan 8.270 nan 0.000 0.469 203 S N -0.253 115.308 115.700 -0.231 0.000 2.558 203 S HA -0.004 4.466 4.470 0.000 0.000 0.217 203 S C 0.908 175.410 174.600 -0.164 0.000 0.975 203 S CA -0.270 57.787 58.200 -0.237 0.000 0.912 203 S CB -0.004 63.034 63.200 -0.271 0.000 0.776 203 S HN 0.189 nan 8.310 nan 0.000 0.526 204 M N 3.145 122.681 119.600 -0.107 0.000 2.238 204 M HA 0.226 4.706 4.480 0.000 0.000 0.350 204 M C 0.323 176.531 176.300 -0.154 0.000 1.321 204 M CA 0.033 55.249 55.300 -0.139 0.000 1.097 204 M CB 0.742 33.304 32.600 -0.062 0.000 1.713 204 M HN 0.326 nan 8.290 nan 0.000 0.455 205 S N 3.525 119.076 115.700 -0.250 0.000 2.669 205 S HA 0.220 4.690 4.470 0.000 0.000 0.270 205 S C 0.720 175.188 174.600 -0.221 0.000 1.225 205 S CA -0.483 57.567 58.200 -0.251 0.000 0.991 205 S CB 0.533 63.480 63.200 -0.422 0.000 0.987 205 S HN 0.754 nan 8.310 nan 0.000 0.552 206 Y N 0.835 121.096 120.300 -0.065 0.000 2.403 206 Y HA 0.050 4.600 4.550 0.000 0.000 0.291 206 Y C 1.440 177.327 175.900 -0.020 0.000 1.143 206 Y CA 1.335 59.414 58.100 -0.035 0.000 1.257 206 Y CB -0.761 37.689 38.460 -0.017 0.000 0.984 206 Y HN 0.644 nan 8.280 nan 0.000 0.550 207 D N -1.120 118.848 120.400 -0.720 0.000 2.328 207 D HA -0.038 4.602 4.640 0.000 0.000 0.221 207 D C 0.251 176.454 176.300 -0.162 0.000 1.072 207 D CA 0.459 54.263 54.000 -0.327 0.000 0.850 207 D CB -0.614 39.984 40.800 -0.337 0.000 0.922 207 D HN 0.455 nan 8.370 nan 0.000 0.516 208 N N -1.136 117.399 118.700 -0.275 0.000 2.980 208 N HA -0.102 4.638 4.740 0.000 0.000 0.219 208 N C 0.757 175.957 175.510 -0.516 0.000 0.883 208 N CA 1.223 54.111 53.050 -0.270 0.000 1.018 208 N CB -1.595 36.839 38.487 -0.088 0.000 1.041 208 N HN 0.482 nan 8.380 nan 0.000 0.592 209 G N 0.174 108.342 108.800 -1.054 0.000 2.580 209 G HA2 0.557 4.517 3.960 0.000 0.000 0.278 209 G HA3 0.557 4.517 3.960 0.000 0.000 0.278 209 G C -0.192 174.182 174.900 -0.877 0.000 1.212 209 G CA -0.314 43.822 45.100 -1.607 0.000 0.939 209 G HN 0.036 nan 8.290 nan 0.000 0.513 210 L N 0.278 121.074 121.223 -0.713 0.000 2.309 210 L HA 0.689 5.029 4.340 0.000 0.000 0.282 210 L C 0.786 177.464 176.870 -0.320 0.000 1.036 210 L CA -0.548 54.062 54.840 -0.383 0.000 0.806 210 L CB 1.223 43.148 42.059 -0.222 0.000 1.220 210 L HN 0.713 nan 8.230 nan 0.000 0.429 211 A N 1.981 124.667 122.820 -0.224 0.000 2.284 211 A HA 0.519 4.839 4.320 0.000 0.000 0.317 211 A C 0.711 178.238 177.584 -0.095 0.000 1.120 211 A CA -0.332 51.615 52.037 -0.150 0.000 0.900 211 A CB 0.666 19.585 19.000 -0.136 0.000 1.319 211 A HN 0.680 nan 8.150 nan 0.000 0.494 212 Q N -0.652 119.107 119.800 -0.069 0.000 2.291 212 Q HA 0.117 4.457 4.340 0.000 0.000 0.205 212 Q C 0.711 176.743 176.000 0.053 0.000 0.970 212 Q CA 1.313 57.102 55.803 -0.024 0.000 0.876 212 Q CB 0.094 28.796 28.738 -0.061 0.000 0.935 212 Q HN 0.901 nan 8.270 nan 0.000 0.455 213 G N -1.363 107.420 108.800 -0.029 0.000 2.576 213 G HA2 0.523 4.483 3.960 0.000 0.000 0.290 213 G HA3 0.523 4.483 3.960 0.000 0.000 0.290 213 G C -1.533 173.281 174.900 -0.143 0.000 1.442 213 G CA -0.368 44.685 45.100 -0.079 0.000 0.792 213 G HN 0.125 nan 8.290 nan 0.000 0.491 214 A N -0.764 121.942 122.820 -0.190 0.000 2.567 214 A HA 0.516 4.836 4.320 0.000 0.000 0.240 214 A C 1.771 179.322 177.584 -0.055 0.000 1.053 214 A CA 1.787 53.748 52.037 -0.127 0.000 0.755 214 A CB -0.349 18.586 19.000 -0.108 0.000 0.978 214 A HN 2.844 nan 8.150 nan 0.000 0.507 215 G N 0.820 109.598 108.800 -0.038 0.000 2.267 215 G HA2 -0.195 3.765 3.960 0.000 0.000 0.257 215 G HA3 -0.195 3.765 3.960 0.000 0.000 0.257 215 G C 0.156 175.061 174.900 0.009 0.000 0.998 215 G CA 0.453 45.553 45.100 0.001 0.000 0.620 215 G HN 0.794 nan 8.290 nan 0.000 0.529 216 L N 1.247 122.460 121.223 -0.017 0.000 2.466 216 L HA 0.480 4.820 4.340 0.000 0.000 0.257 216 L C 1.052 177.907 176.870 -0.025 0.000 1.189 216 L CA -0.669 54.163 54.840 -0.013 0.000 0.813 216 L CB 0.719 42.763 42.059 -0.025 0.000 1.118 216 L HN 0.448 nan 8.230 nan 0.000 0.471 217 E N 0.507 120.704 120.200 -0.005 0.000 2.417 217 E HA 0.091 4.441 4.350 0.000 0.000 0.261 217 E C -0.322 176.250 176.600 -0.046 0.000 1.000 217 E CA -0.383 56.013 56.400 -0.006 0.000 0.919 217 E CB 0.611 30.334 29.700 0.039 0.000 0.955 217 E HN 0.637 nan 8.360 nan 0.000 0.455 218 S N 4.574 120.187 115.700 -0.144 0.000 2.568 218 S HA 0.024 4.494 4.470 0.000 0.000 0.282 218 S C -0.148 174.422 174.600 -0.050 0.000 1.338 218 S CA -0.402 57.628 58.200 -0.283 0.000 1.045 218 S CB 0.851 63.629 63.200 -0.703 0.000 0.873 218 S HN 0.679 nan 8.310 nan 0.000 0.516 219 H N 0.425 119.374 119.070 -0.202 0.000 2.996 219 H HA 0.367 4.923 4.556 0.000 0.000 0.368 219 H C 1.136 176.519 175.328 0.092 0.000 1.185 219 H CA -0.051 56.008 56.048 0.018 0.000 1.160 219 H CB 1.610 31.341 29.762 -0.052 0.000 1.820 219 H HN 0.720 nan 8.280 nan 0.000 0.547 220 G N 1.528 110.211 108.800 -0.195 0.000 2.442 220 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 220 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 220 G C 1.432 176.413 174.900 0.135 0.000 1.141 220 G CA 0.844 45.976 45.100 0.053 0.000 0.763 220 G HN 0.648 nan 8.290 nan 0.000 0.554 221 G N 0.927 109.808 108.800 0.135 0.000 2.404 221 G HA2 -0.147 3.813 3.960 0.000 0.000 0.215 221 G HA3 -0.147 3.813 3.960 0.000 0.000 0.215 221 G C 2.226 177.103 174.900 -0.039 0.000 1.174 221 G CA 1.794 46.766 45.100 -0.213 0.000 0.780 221 G HN 0.650 nan 8.290 nan 0.000 0.537 222 S N 0.030 115.766 115.700 0.060 0.000 2.402 222 S HA -0.083 4.388 4.470 0.000 0.000 0.229 222 S C 2.208 176.810 174.600 0.003 0.000 1.021 222 S CA 1.852 60.050 58.200 -0.003 0.000 0.974 222 S CB -0.619 62.561 63.200 -0.034 0.000 0.800 222 S HN 0.248 nan 8.310 nan 0.000 0.484 223 T N 1.924 116.481 114.554 0.004 0.000 2.777 223 T HA 0.033 4.383 4.350 0.000 0.000 0.266 223 T C 1.255 175.987 174.700 0.052 0.000 1.040 223 T CA 1.345 63.428 62.100 -0.028 0.000 1.141 223 T CB -0.530 68.307 68.868 -0.051 0.000 0.868 223 T HN 0.507 nan 8.240 nan 0.000 0.444 224 F N 1.498 121.461 119.950 0.021 0.000 2.102 224 F HA -0.156 4.371 4.527 0.000 0.000 0.298 224 F C 2.412 178.199 175.800 -0.022 0.000 1.105 224 F CA 0.746 58.765 58.000 0.032 0.000 1.239 224 F CB -0.858 38.236 39.000 0.157 0.000 0.991 224 F HN 0.146 nan 8.300 nan 0.000 0.474 225 C N 1.012 120.250 119.300 -0.104 0.000 2.413 225 C HA -0.118 4.342 4.460 0.000 0.000 0.276 225 C C 3.100 178.038 174.990 -0.087 0.000 1.248 225 C CA 1.310 60.212 59.018 -0.194 0.000 1.742 225 C CB -1.982 25.773 27.740 0.025 0.000 2.017 225 C HN 0.753 nan 8.230 nan 0.000 0.481 226 G N 0.457 109.241 108.800 -0.027 0.000 2.404 226 G HA2 -0.099 3.861 3.960 0.000 0.000 0.215 226 G HA3 -0.099 3.861 3.960 0.000 0.000 0.215 226 G C 1.384 176.303 174.900 0.031 0.000 1.174 226 G CA 0.687 45.814 45.100 0.045 0.000 0.780 226 G HN 0.361 nan 8.290 nan 0.000 0.537 227 I N 1.977 122.529 120.570 -0.029 0.000 2.202 227 I HA -0.094 4.076 4.170 0.000 0.000 0.242 227 I C 3.274 179.339 176.117 -0.088 0.000 1.091 227 I CA 1.196 62.487 61.300 -0.015 0.000 1.368 227 I CB -1.383 36.598 38.000 -0.031 0.000 1.058 227 I HN 0.255 nan 8.210 nan 0.000 0.410 228 A N 0.360 123.000 122.820 -0.299 0.000 1.902 228 A HA -0.180 4.140 4.320 0.000 0.000 0.217 228 A C 2.601 180.180 177.584 -0.009 0.000 1.181 228 A CA 2.120 54.000 52.037 -0.262 0.000 0.623 228 A CB -0.769 17.791 19.000 -0.733 0.000 0.818 228 A HN 0.420 nan 8.150 nan 0.000 0.443 229 S N -0.120 115.614 115.700 0.056 0.000 2.356 229 S HA -0.111 4.359 4.470 0.000 0.000 0.223 229 S C 1.835 176.485 174.600 0.082 0.000 1.032 229 S CA 1.501 59.777 58.200 0.127 0.000 1.005 229 S CB -0.469 62.821 63.200 0.150 0.000 0.867 229 S HN 0.521 nan 8.310 nan 0.000 0.449 230 L N 0.620 121.870 121.223 0.046 0.000 2.046 230 L HA -0.169 4.171 4.340 0.000 0.000 0.208 230 L C 2.599 179.475 176.870 0.010 0.000 1.077 230 L CA 0.901 55.747 54.840 0.011 0.000 0.747 230 L CB -0.747 41.327 42.059 0.025 0.000 0.896 230 L HN 0.423 nan 8.230 nan 0.000 0.432 231 C N -0.544 118.775 119.300 0.032 0.000 2.429 231 C HA -0.148 4.312 4.460 0.000 0.000 0.277 231 C C 2.659 177.687 174.990 0.064 0.000 1.262 231 C CA 0.189 59.234 59.018 0.045 0.000 1.733 231 C CB -0.731 27.038 27.740 0.048 0.000 2.010 231 C HN 0.395 nan 8.230 nan 0.000 0.483 232 L N 0.213 121.477 121.223 0.068 0.000 2.131 232 L HA -0.082 4.258 4.340 0.000 0.000 0.210 232 L C 2.336 179.369 176.870 0.273 0.000 1.092 232 L CA 1.818 56.732 54.840 0.123 0.000 0.759 232 L CB -0.699 41.436 42.059 0.126 0.000 0.903 232 L HN 0.372 nan 8.230 nan 0.000 0.435 233 M N -1.660 117.937 119.600 -0.006 0.000 2.558 233 M HA 0.177 4.657 4.480 0.000 0.000 0.255 233 M C 1.246 177.408 176.300 -0.231 0.000 1.113 233 M CA 0.760 55.802 55.300 -0.430 0.000 1.097 233 M CB -0.152 32.164 32.600 -0.473 0.000 1.426 233 M HN 0.337 nan 8.290 nan 0.000 0.488 234 G N 2.171 110.938 108.800 -0.055 0.000 2.246 234 G HA2 -0.264 3.696 3.960 0.000 0.000 0.273 234 G HA3 -0.264 3.696 3.960 0.000 0.000 0.273 234 G C 0.234 175.100 174.900 -0.056 0.000 1.055 234 G CA 0.344 45.433 45.100 -0.019 0.000 0.851 234 G HN 0.569 nan 8.290 nan 0.000 0.500 235 K N -0.657 119.702 120.400 -0.068 0.000 2.619 235 K HA 0.369 4.689 4.320 0.000 0.000 0.201 235 K C 1.912 178.480 176.600 -0.054 0.000 1.090 235 K CA -0.528 55.713 56.287 -0.077 0.000 1.063 235 K CB 0.504 32.929 32.500 -0.124 0.000 0.810 235 K HN 0.304 nan 8.250 nan 0.000 0.506 236 L N 1.660 122.880 121.223 -0.005 0.000 1.971 236 L HA -0.233 4.107 4.340 0.000 0.000 0.215 236 L C 1.820 178.726 176.870 0.060 0.000 1.072 236 L CA 1.903 56.773 54.840 0.050 0.000 0.758 236 L CB 0.009 42.116 42.059 0.081 0.000 0.889 236 L HN 0.337 nan 8.230 nan 0.000 0.433 237 E N -0.318 119.909 120.200 0.046 0.000 2.118 237 E HA -0.305 4.045 4.350 0.000 0.000 0.195 237 E C 1.875 178.487 176.600 0.019 0.000 0.992 237 E CA 1.430 57.858 56.400 0.048 0.000 0.804 237 E CB -0.230 29.491 29.700 0.035 0.000 0.741 237 E HN 0.622 nan 8.360 nan 0.000 0.458 238 E N 0.798 120.987 120.200 -0.018 0.000 2.107 238 E HA -0.107 4.243 4.350 0.000 0.000 0.191 238 E C 2.032 178.580 176.600 -0.086 0.000 0.982 238 E CA 0.783 57.157 56.400 -0.044 0.000 0.809 238 E CB 0.337 30.002 29.700 -0.058 0.000 0.756 238 E HN 0.028 nan 8.360 nan 0.000 0.459 239 V N 0.300 120.122 119.914 -0.154 0.000 2.535 239 V HA 0.001 4.122 4.120 0.000 0.000 0.246 239 V C 0.733 176.590 176.094 -0.395 0.000 1.045 239 V CA 0.965 63.066 62.300 -0.333 0.000 1.058 239 V CB -0.179 31.329 31.823 -0.524 0.000 0.689 239 V HN 0.104 nan 8.190 nan 0.000 0.461 240 F N 0.475 120.418 119.950 -0.012 0.000 2.469 240 F HA 0.484 5.011 4.527 0.000 0.000 0.332 240 F C 0.869 176.667 175.800 -0.003 0.000 1.103 240 F CA -0.746 57.248 58.000 -0.010 0.000 0.979 240 F CB 1.580 40.573 39.000 -0.011 0.000 1.137 240 F HN -0.020 nan 8.300 nan 0.000 0.463 241 S N 1.061 116.889 115.700 0.212 0.000 2.608 241 S HA 0.067 4.537 4.470 0.000 0.000 0.261 241 S C 1.116 175.777 174.600 0.101 0.000 1.314 241 S CA -0.435 57.833 58.200 0.115 0.000 0.992 241 S CB 1.211 64.461 63.200 0.083 0.000 0.935 241 S HN 0.875 nan 8.310 nan 0.000 0.564 242 E N 0.825 121.065 120.200 0.066 0.000 2.077 242 E HA -0.235 4.115 4.350 0.000 0.000 0.193 242 E C 1.954 178.578 176.600 0.039 0.000 0.989 242 E CA 1.375 57.806 56.400 0.052 0.000 0.800 242 E CB -0.202 29.522 29.700 0.039 0.000 0.746 242 E HN 0.765 nan 8.360 nan 0.000 0.452 243 K N 0.439 120.860 120.400 0.036 0.000 2.057 243 K HA -0.200 4.120 4.320 0.000 0.000 0.207 243 K C 2.027 178.634 176.600 0.011 0.000 1.049 243 K CA 1.776 58.077 56.287 0.023 0.000 0.931 243 K CB 0.042 32.556 32.500 0.024 0.000 0.714 243 K HN 0.135 nan 8.250 nan 0.000 0.440 244 E N 0.416 120.628 120.200 0.021 0.000 2.051 244 E HA -0.179 4.171 4.350 0.000 0.000 0.192 244 E C 2.023 178.554 176.600 -0.115 0.000 0.991 244 E CA 1.344 57.726 56.400 -0.030 0.000 0.799 244 E CB -0.052 29.685 29.700 0.062 0.000 0.748 244 E HN 0.266 nan 8.360 nan 0.000 0.449 245 L N 0.907 122.098 121.223 -0.054 0.000 2.131 245 L HA -0.211 4.129 4.340 0.000 0.000 0.210 245 L C 1.988 178.839 176.870 -0.033 0.000 1.092 245 L CA 1.100 55.902 54.840 -0.064 0.000 0.759 245 L CB -0.448 41.625 42.059 0.024 0.000 0.903 245 L HN 0.208 nan 8.230 nan 0.000 0.435 246 N N -0.336 118.359 118.700 -0.007 0.000 2.188 246 N HA -0.152 4.588 4.740 0.000 0.000 0.184 246 N C 1.918 177.431 175.510 0.006 0.000 1.018 246 N CA 0.761 53.816 53.050 0.008 0.000 0.858 246 N CB 0.015 38.509 38.487 0.011 0.000 0.989 246 N HN 0.300 nan 8.380 nan 0.000 0.426 247 R N 0.697 121.187 120.500 -0.016 0.000 2.075 247 R HA 0.015 4.355 4.340 0.000 0.000 0.232 247 R C 2.125 178.430 176.300 0.008 0.000 1.126 247 R CA 0.870 56.967 56.100 -0.006 0.000 0.963 247 R CB -0.211 30.070 30.300 -0.031 0.000 0.858 247 R HN 0.257 nan 8.270 nan 0.000 0.435 248 I N 1.028 121.560 120.570 -0.064 0.000 2.252 248 I HA -0.273 3.897 4.170 0.000 0.000 0.245 248 I C 2.044 178.211 176.117 0.085 0.000 1.102 248 I CA 1.412 62.680 61.300 -0.053 0.000 1.385 248 I CB -0.227 37.640 38.000 -0.222 0.000 1.064 248 I HN 0.122 nan 8.210 nan 0.000 0.414 249 K N 0.420 120.854 120.400 0.057 0.000 2.063 249 K HA -0.235 4.085 4.320 0.000 0.000 0.208 249 K C 2.254 178.920 176.600 0.111 0.000 1.048 249 K CA 1.374 57.718 56.287 0.096 0.000 0.928 249 K CB -0.220 32.328 32.500 0.080 0.000 0.713 249 K HN 0.057 nan 8.250 nan 0.000 0.442 250 R N 0.553 121.107 120.500 0.090 0.000 2.073 250 R HA -0.182 4.158 4.340 0.000 0.000 0.234 250 R C 1.844 178.198 176.300 0.090 0.000 1.134 250 R CA 1.655 57.799 56.100 0.072 0.000 0.952 250 R CB -0.792 29.542 30.300 0.056 0.000 0.850 250 R HN 0.388 nan 8.270 nan 0.000 0.433 251 W N -0.139 121.144 121.300 -0.028 0.000 2.335 251 W HA -0.236 4.424 4.660 0.000 0.000 0.311 251 W C 2.048 178.568 176.519 0.001 0.000 1.213 251 W CA 1.796 59.121 57.345 -0.033 0.000 1.274 251 W CB -0.569 28.847 29.460 -0.073 0.000 1.148 251 W HN 0.159 nan 8.180 nan 0.000 0.498 252 C N -0.272 119.198 119.300 0.284 0.000 2.436 252 C HA -0.187 4.273 4.460 0.000 0.000 0.277 252 C C 2.678 177.705 174.990 0.062 0.000 1.241 252 C CA 1.171 60.300 59.018 0.186 0.000 1.721 252 C CB -1.527 26.371 27.740 0.264 0.000 2.043 252 C HN 0.443 nan 8.230 nan 0.000 0.472 253 I N 0.512 121.132 120.570 0.082 0.000 2.756 253 I HA -0.150 4.020 4.170 0.000 0.000 0.262 253 I C 2.002 178.093 176.117 -0.044 0.000 1.225 253 I CA 1.119 62.466 61.300 0.078 0.000 1.472 253 I CB -0.072 37.980 38.000 0.087 0.000 1.094 253 I HN 0.272 nan 8.210 nan 0.000 0.454 254 M N -0.215 119.305 119.600 -0.133 0.000 2.619 254 M HA -0.016 4.464 4.480 0.000 0.000 0.251 254 M C 1.750 177.882 176.300 -0.280 0.000 1.106 254 M CA 0.855 56.031 55.300 -0.206 0.000 1.086 254 M CB -0.865 31.595 32.600 -0.235 0.000 1.465 254 M HN 0.165 nan 8.290 nan 0.000 0.506 255 R N 0.323 120.658 120.500 -0.275 0.000 2.189 255 R HA 0.014 4.354 4.340 0.000 0.000 0.218 255 R C 0.925 176.926 176.300 -0.497 0.000 1.074 255 R CA 0.213 56.149 56.100 -0.273 0.000 0.991 255 R CB -0.651 29.611 30.300 -0.063 0.000 0.883 255 R HN 0.541 nan 8.270 nan 0.000 0.457 256 Q N 1.186 120.668 119.800 -0.529 0.000 2.296 256 Q HA -0.019 4.321 4.340 0.000 0.000 0.262 256 Q C 0.251 175.895 176.000 -0.593 0.000 0.981 256 Q CA 0.106 55.376 55.803 -0.889 0.000 0.905 256 Q CB 0.865 29.044 28.738 -0.932 0.000 1.186 256 Q HN 0.001 nan 8.270 nan 0.000 0.399 257 Q N 2.763 122.221 119.800 -0.569 0.000 2.511 257 Q HA 0.102 4.442 4.340 0.000 0.000 0.236 257 Q C 0.230 176.063 176.000 -0.280 0.000 0.893 257 Q CA 1.392 56.963 55.803 -0.388 0.000 0.947 257 Q CB 0.578 29.090 28.738 -0.377 0.000 1.110 257 Q HN 0.868 nan 8.270 nan 0.000 0.591 258 N N -0.954 117.565 118.700 -0.302 0.000 2.539 258 N HA 0.063 4.803 4.740 0.000 0.000 0.326 258 N C 0.763 176.162 175.510 -0.185 0.000 0.622 258 N CA 0.453 53.406 53.050 -0.163 0.000 1.237 258 N CB -0.249 38.203 38.487 -0.058 0.000 1.806 258 N HN 0.097 nan 8.380 nan 0.000 1.552 259 G N -1.011 107.612 108.800 -0.295 0.000 2.606 259 G HA2 0.562 4.522 3.960 0.000 0.000 0.262 259 G HA3 0.562 4.522 3.960 0.000 0.000 0.262 259 G C -1.414 173.314 174.900 -0.286 0.000 1.394 259 G CA -0.308 44.669 45.100 -0.205 0.000 1.044 259 G HN 0.124 nan 8.290 nan 0.000 0.553 260 Y N -0.664 119.571 120.300 -0.108 0.000 2.468 260 Y HA 0.449 4.999 4.550 0.000 0.000 0.342 260 Y C 0.682 176.614 175.900 0.053 0.000 1.021 260 Y CA -0.867 57.199 58.100 -0.057 0.000 1.079 260 Y CB 1.700 40.203 38.460 0.073 0.000 1.226 260 Y HN 0.715 nan 8.280 nan 0.000 0.460 261 H N -1.554 117.523 119.070 0.012 0.000 2.615 261 H HA 0.611 5.167 4.556 0.000 0.000 0.346 261 H C 0.457 175.415 175.328 -0.617 0.000 1.200 261 H CA -0.865 55.103 56.048 -0.133 0.000 1.264 261 H CB 1.962 31.645 29.762 -0.131 0.000 1.699 261 H HN 0.814 nan 8.280 nan 0.000 0.567 262 G N 0.185 108.371 108.800 -1.025 0.000 2.683 262 G HA2 0.083 4.043 3.960 0.000 0.000 0.213 262 G HA3 0.083 4.043 3.960 0.000 0.000 0.213 262 G C 0.215 174.626 174.900 -0.815 0.000 1.142 262 G CA -0.256 43.896 45.100 -1.580 0.000 0.793 262 G HN 0.760 nan 8.290 nan 0.000 0.534 263 R N -1.381 118.696 120.500 -0.706 0.000 2.664 263 R HA 0.383 4.723 4.340 0.000 0.000 0.266 263 R C -3.502 172.295 176.300 -0.838 0.000 1.046 263 R CA -2.013 53.792 56.100 -0.491 0.000 0.885 263 R CB 0.277 30.489 30.300 -0.146 0.000 1.254 263 R HN -0.246 nan 8.270 nan 0.000 0.465 264 P HA -0.091 nan 4.420 nan 0.000 0.263 264 P C -0.506 176.641 177.300 -0.256 0.000 1.168 264 P CA 0.506 63.403 63.100 -0.338 0.000 0.759 264 P CB 0.219 31.850 31.700 -0.115 0.000 0.782 265 N N -0.614 118.015 118.700 -0.118 0.000 2.741 265 N HA -0.176 4.564 4.740 0.000 0.000 0.251 265 N C -0.315 175.165 175.510 -0.050 0.000 1.112 265 N CA 1.302 54.329 53.050 -0.039 0.000 0.750 265 N CB -0.701 37.772 38.487 -0.024 0.000 1.119 265 N HN 0.483 nan 8.380 nan 0.000 0.561 266 K N 0.523 120.854 120.400 -0.115 0.000 2.267 266 K HA 0.485 4.805 4.320 0.000 0.000 0.246 266 K C -2.201 174.460 176.600 0.102 0.000 0.954 266 K CA -1.483 54.782 56.287 -0.037 0.000 0.824 266 K CB 1.889 34.327 32.500 -0.103 0.000 1.167 266 K HN -0.091 nan 8.250 nan 0.000 0.431 267 P HA 0.011 nan 4.420 nan 0.000 0.272 267 P C 0.181 177.635 177.300 0.257 0.000 1.223 267 P CA -0.445 62.731 63.100 0.128 0.000 0.784 267 P CB 0.494 32.204 31.700 0.016 0.000 0.923 268 V N -0.928 119.088 119.914 0.170 0.000 3.096 268 V HA 0.366 4.486 4.120 0.000 0.000 0.306 268 V C 0.040 176.387 176.094 0.422 0.000 1.088 268 V CA 0.016 62.411 62.300 0.159 0.000 1.129 268 V CB 0.491 32.142 31.823 -0.286 0.000 1.014 268 V HN 0.620 nan 8.190 nan 0.000 0.486 269 D N 1.517 122.191 120.400 0.456 0.000 2.970 269 D HA 0.313 4.953 4.640 0.000 0.000 0.230 269 D C 0.799 177.323 176.300 0.372 0.000 1.276 269 D CA -0.016 54.242 54.000 0.430 0.000 0.910 269 D CB 2.232 43.281 40.800 0.415 0.000 1.590 269 D HN 0.649 nan 8.370 nan 0.000 0.551 270 T N 1.922 116.730 114.554 0.425 0.000 2.649 270 T HA -0.243 4.107 4.350 0.000 0.000 0.268 270 T C 2.028 176.801 174.700 0.121 0.000 1.036 270 T CA 2.405 64.714 62.100 0.348 0.000 1.157 270 T CB -0.648 68.366 68.868 0.245 0.000 0.861 270 T HN 0.787 nan 8.240 nan 0.000 0.445 271 C N 0.517 119.817 119.300 0.000 0.000 2.410 271 C HA -0.084 4.376 4.460 0.000 0.000 0.281 271 C C 2.231 177.015 174.990 -0.342 0.000 1.318 271 C CA -0.060 58.758 59.018 -0.333 0.000 1.776 271 C CB -2.078 25.293 27.740 -0.616 0.000 1.942 271 C HN 0.508 nan 8.230 nan 0.000 0.508 272 Y N 2.062 122.464 120.300 0.171 0.000 2.509 272 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 272 Y C 2.848 178.701 175.900 -0.078 0.000 1.133 272 Y CA 1.302 59.512 58.100 0.183 0.000 1.283 272 Y CB -0.809 37.788 38.460 0.229 0.000 1.001 272 Y HN 0.359 nan 8.280 nan 0.000 0.555 273 S N -0.433 115.276 115.700 0.014 0.000 2.442 273 S HA -0.174 4.296 4.470 0.000 0.000 0.236 273 S C 1.696 176.101 174.600 -0.324 0.000 1.007 273 S CA 1.246 59.334 58.200 -0.186 0.000 0.965 273 S CB -0.404 62.803 63.200 0.011 0.000 0.773 273 S HN 0.541 nan 8.310 nan 0.000 0.504 274 F N 0.042 119.749 119.950 -0.406 0.000 2.315 274 F HA 0.202 4.729 4.527 0.000 0.000 0.284 274 F C 1.577 177.094 175.800 -0.473 0.000 1.049 274 F CA 0.048 57.752 58.000 -0.494 0.000 1.323 274 F CB -0.577 38.115 39.000 -0.513 0.000 1.113 274 F HN 0.152 nan 8.300 nan 0.000 0.544 275 W N 0.477 121.524 121.300 -0.421 0.000 2.315 275 W HA -0.235 4.425 4.660 0.000 0.000 0.323 275 W C 2.341 178.696 176.519 -0.274 0.000 1.233 275 W CA 1.760 58.830 57.345 -0.458 0.000 1.267 275 W CB -1.005 28.391 29.460 -0.106 0.000 1.160 275 W HN -0.171 nan 8.180 nan 0.000 0.474 276 V N 0.260 120.211 119.914 0.061 0.000 2.346 276 V HA -0.090 4.030 4.120 0.000 0.000 0.244 276 V C 2.383 178.345 176.094 -0.220 0.000 1.037 276 V CA 1.929 64.224 62.300 -0.009 0.000 1.029 276 V CB -1.637 30.198 31.823 0.019 0.000 0.663 276 V HN 0.377 nan 8.190 nan 0.000 0.454 277 G N 0.120 108.603 108.800 -0.527 0.000 2.440 277 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 277 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 277 G C 1.741 176.249 174.900 -0.654 0.000 1.154 277 G CA 1.190 45.917 45.100 -0.620 0.000 0.767 277 G HN 0.605 nan 8.290 nan 0.000 0.552 278 A N 0.005 122.391 122.820 -0.723 0.000 1.969 278 A HA 0.031 4.351 4.320 0.000 0.000 0.218 278 A C 2.521 180.003 177.584 -0.169 0.000 1.169 278 A CA 2.352 54.031 52.037 -0.596 0.000 0.635 278 A CB -0.731 17.608 19.000 -1.100 0.000 0.810 278 A HN 0.311 nan 8.150 nan 0.000 0.445 279 T N 0.493 115.028 114.554 -0.030 0.000 2.737 279 T HA -0.061 4.289 4.350 0.000 0.000 0.265 279 T C 1.808 176.542 174.700 0.055 0.000 1.038 279 T CA 1.390 63.538 62.100 0.080 0.000 1.144 279 T CB -0.382 68.576 68.868 0.151 0.000 0.866 279 T HN 0.371 nan 8.240 nan 0.000 0.434 280 L N 0.717 121.980 121.223 0.066 0.000 2.079 280 L HA -0.137 4.203 4.340 0.000 0.000 0.210 280 L C 2.626 179.586 176.870 0.150 0.000 1.081 280 L CA 1.197 56.133 54.840 0.159 0.000 0.752 280 L CB -0.433 41.811 42.059 0.308 0.000 0.896 280 L HN 0.178 nan 8.230 nan 0.000 0.433 281 K N 0.839 121.263 120.400 0.040 0.000 2.057 281 K HA -0.135 4.185 4.320 0.000 0.000 0.206 281 K C 1.934 178.556 176.600 0.036 0.000 1.050 281 K CA 1.482 57.786 56.287 0.029 0.000 0.935 281 K CB -0.328 32.082 32.500 -0.149 0.000 0.715 281 K HN 0.177 nan 8.250 nan 0.000 0.439 282 L N 0.257 121.494 121.223 0.023 0.000 2.201 282 L HA -0.062 4.278 4.340 0.000 0.000 0.212 282 L C 1.742 178.645 176.870 0.055 0.000 1.105 282 L CA 0.769 55.631 54.840 0.036 0.000 0.775 282 L CB -0.218 41.859 42.059 0.031 0.000 0.913 282 L HN 0.152 nan 8.230 nan 0.000 0.440 283 L N -0.450 120.815 121.223 0.070 0.000 2.612 283 L HA 0.034 4.374 4.340 0.000 0.000 0.230 283 L C 0.569 177.498 176.870 0.097 0.000 1.140 283 L CA 0.066 54.956 54.840 0.082 0.000 0.896 283 L CB -0.239 41.873 42.059 0.087 0.000 1.065 283 L HN 0.211 nan 8.230 nan 0.000 0.447 284 K N 0.363 120.818 120.400 0.092 0.000 3.160 284 K HA -0.204 4.116 4.320 0.000 0.000 0.280 284 K C 0.616 177.276 176.600 0.100 0.000 1.154 284 K CA 1.092 57.431 56.287 0.087 0.000 0.822 284 K CB -1.741 30.805 32.500 0.077 0.000 1.239 284 K HN 0.608 nan 8.250 nan 0.000 0.489 285 I N -4.527 116.129 120.570 0.144 0.000 4.160 285 I HA 0.195 4.365 4.170 0.000 0.000 0.325 285 I C 1.257 177.461 176.117 0.145 0.000 1.455 285 I CA -0.684 60.722 61.300 0.177 0.000 1.142 285 I CB 0.098 38.291 38.000 0.322 0.000 1.262 285 I HN -0.009 nan 8.210 nan 0.000 0.483 286 F N 3.368 123.334 119.950 0.026 0.000 2.216 286 F HA -0.175 4.352 4.527 0.000 0.000 0.300 286 F C 2.521 178.399 175.800 0.130 0.000 1.085 286 F CA 2.305 60.357 58.000 0.087 0.000 1.326 286 F CB -0.102 38.928 39.000 0.049 0.000 1.027 286 F HN 0.368 nan 8.300 nan 0.000 0.497 287 Q N -1.324 118.384 119.800 -0.154 0.000 2.297 287 Q HA -0.254 4.086 4.340 0.000 0.000 0.208 287 Q C 1.196 176.878 176.000 -0.529 0.000 0.981 287 Q CA 2.003 57.574 55.803 -0.386 0.000 0.876 287 Q CB -1.100 27.326 28.738 -0.520 0.000 0.921 287 Q HN 0.613 nan 8.270 nan 0.000 0.446 288 Y N 2.118 122.354 120.300 -0.107 0.000 2.466 288 Y HA 0.118 4.668 4.550 0.000 0.000 0.272 288 Y C 1.117 176.947 175.900 -0.117 0.000 1.169 288 Y CA -0.071 57.961 58.100 -0.113 0.000 1.285 288 Y CB 0.443 38.872 38.460 -0.051 0.000 1.078 288 Y HN 0.163 nan 8.280 nan 0.000 0.523 289 T N -1.877 112.646 114.554 -0.050 0.000 2.847 289 T HA 0.074 4.424 4.350 0.000 0.000 0.279 289 T C 0.086 174.781 174.700 -0.008 0.000 0.984 289 T CA -0.983 61.109 62.100 -0.013 0.000 0.988 289 T CB 1.167 70.026 68.868 -0.015 0.000 1.040 289 T HN 0.084 nan 8.240 nan 0.000 0.528 290 N N 0.721 119.442 118.700 0.036 0.000 2.439 290 N HA 0.141 4.881 4.740 0.000 0.000 0.243 290 N C 0.392 176.033 175.510 0.217 0.000 1.088 290 N CA -0.518 52.565 53.050 0.054 0.000 0.940 290 N CB -0.349 38.138 38.487 0.001 0.000 1.180 290 N HN 0.717 nan 8.380 nan 0.000 0.505 291 F N 1.433 121.333 119.950 -0.084 0.000 2.113 291 F HA -0.151 4.376 4.527 0.000 0.000 0.297 291 F C 2.295 178.106 175.800 0.019 0.000 1.103 291 F CA 0.620 58.599 58.000 -0.036 0.000 1.248 291 F CB 0.216 39.187 39.000 -0.048 0.000 0.999 291 F HN 0.556 nan 8.300 nan 0.000 0.475 292 E N 1.245 121.575 120.200 0.216 0.000 2.038 292 E HA -0.261 4.089 4.350 0.000 0.000 0.195 292 E C 1.995 178.663 176.600 0.114 0.000 1.000 292 E CA 1.525 58.006 56.400 0.134 0.000 0.803 292 E CB -0.072 29.680 29.700 0.087 0.000 0.750 292 E HN 0.347 nan 8.360 nan 0.000 0.448 293 K N 0.193 120.650 120.400 0.095 0.000 2.147 293 K HA -0.156 4.164 4.320 0.000 0.000 0.205 293 K C 2.090 178.767 176.600 0.127 0.000 1.049 293 K CA 1.248 57.585 56.287 0.084 0.000 0.936 293 K CB -0.169 32.349 32.500 0.030 0.000 0.722 293 K HN 0.088 nan 8.250 nan 0.000 0.446 294 N N 1.511 120.297 118.700 0.142 0.000 2.135 294 N HA -0.164 4.576 4.740 0.000 0.000 0.186 294 N C 1.713 177.346 175.510 0.206 0.000 1.027 294 N CA 1.313 54.489 53.050 0.210 0.000 0.849 294 N CB -0.012 38.644 38.487 0.283 0.000 1.002 294 N HN 0.050 nan 8.380 nan 0.000 0.425 295 R N 0.126 120.710 120.500 0.139 0.000 2.091 295 R HA -0.057 4.283 4.340 0.000 0.000 0.238 295 R C 1.518 177.891 176.300 0.122 0.000 1.136 295 R CA 1.583 57.742 56.100 0.099 0.000 0.959 295 R CB -0.234 30.110 30.300 0.074 0.000 0.856 295 R HN 0.265 nan 8.270 nan 0.000 0.437 296 N N -0.140 118.638 118.700 0.129 0.000 2.104 296 N HA -0.225 4.515 4.740 0.000 0.000 0.190 296 N C 1.473 177.055 175.510 0.120 0.000 1.024 296 N CA 1.422 54.542 53.050 0.116 0.000 0.853 296 N CB -0.589 37.963 38.487 0.108 0.000 1.008 296 N HN 0.321 nan 8.380 nan 0.000 0.424 297 Y N 1.644 122.001 120.300 0.094 0.000 2.114 297 Y HA -0.068 4.482 4.550 0.000 0.000 0.284 297 Y C 2.242 178.226 175.900 0.140 0.000 1.143 297 Y CA 1.325 59.491 58.100 0.111 0.000 1.135 297 Y CB -0.462 38.064 38.460 0.109 0.000 0.980 297 Y HN -0.036 nan 8.280 nan 0.000 0.499 298 I N -0.034 120.612 120.570 0.126 0.000 2.118 298 I HA -0.388 3.782 4.170 0.000 0.000 0.241 298 I C 2.341 178.542 176.117 0.140 0.000 1.070 298 I CA 1.763 63.107 61.300 0.073 0.000 1.327 298 I CB -0.637 37.383 38.000 0.034 0.000 1.034 298 I HN 0.272 nan 8.210 nan 0.000 0.405 299 L N 0.537 121.862 121.223 0.170 0.000 2.191 299 L HA -0.172 4.168 4.340 0.000 0.000 0.212 299 L C 2.666 179.582 176.870 0.077 0.000 1.103 299 L CA 1.475 56.453 54.840 0.230 0.000 0.769 299 L CB -0.658 41.512 42.059 0.185 0.000 0.908 299 L HN 0.400 nan 8.230 nan 0.000 0.438 300 S N -1.569 114.106 115.700 -0.040 0.000 2.515 300 S HA -0.108 4.362 4.470 0.000 0.000 0.231 300 S C 1.693 176.220 174.600 -0.121 0.000 0.987 300 S CA 0.992 59.135 58.200 -0.095 0.000 0.936 300 S CB -0.588 62.529 63.200 -0.138 0.000 0.766 300 S HN 0.553 nan 8.310 nan 0.000 0.528 301 T N -1.809 112.679 114.554 -0.110 0.000 3.105 301 T HA 0.261 4.611 4.350 0.000 0.000 0.253 301 T C 0.328 175.009 174.700 -0.032 0.000 1.047 301 T CA -0.506 61.564 62.100 -0.049 0.000 0.944 301 T CB -0.240 68.613 68.868 -0.026 0.000 1.016 301 T HN 0.451 nan 8.240 nan 0.000 0.544 302 Q N 1.652 121.381 119.800 -0.119 0.000 2.332 302 Q HA 0.114 4.454 4.340 0.000 0.000 0.263 302 Q C -0.763 175.065 176.000 -0.287 0.000 0.979 302 Q CA -0.305 55.236 55.803 -0.437 0.000 0.885 302 Q CB 0.572 29.079 28.738 -0.385 0.000 1.218 302 Q HN 0.266 nan 8.270 nan 0.000 0.405 303 D N 3.493 123.692 120.400 -0.334 0.000 2.411 303 D HA 0.086 4.726 4.640 0.000 0.000 0.225 303 D C 0.333 176.497 176.300 -0.227 0.000 1.156 303 D CA -0.022 53.852 54.000 -0.210 0.000 0.874 303 D CB 0.591 41.286 40.800 -0.175 0.000 1.034 303 D HN 0.580 nan 8.370 nan 0.000 0.502 304 R N 2.502 122.896 120.500 -0.177 0.000 2.237 304 R HA -0.061 4.279 4.340 0.000 0.000 0.219 304 R C 1.539 177.747 176.300 -0.155 0.000 1.080 304 R CA 0.275 56.268 56.100 -0.179 0.000 0.995 304 R CB 0.404 30.628 30.300 -0.127 0.000 0.875 304 R HN 0.440 nan 8.270 nan 0.000 0.462 305 L N 0.351 121.502 121.223 -0.119 0.000 2.265 305 L HA 0.009 4.349 4.340 0.000 0.000 0.195 305 L C 2.023 178.842 176.870 -0.086 0.000 1.083 305 L CA 1.380 56.167 54.840 -0.089 0.000 0.798 305 L CB -0.370 41.656 42.059 -0.055 0.000 0.989 305 L HN 0.079 nan 8.230 nan 0.000 0.472 306 V N -1.566 118.307 119.914 -0.068 0.000 3.506 306 V HA 0.476 4.596 4.120 0.000 0.000 0.263 306 V C 0.916 177.019 176.094 0.015 0.000 1.203 306 V CA 0.560 62.854 62.300 -0.010 0.000 1.133 306 V CB -0.405 31.445 31.823 0.045 0.000 0.802 306 V HN 0.616 nan 8.190 nan 0.000 0.459 307 G N -0.658 108.049 108.800 -0.155 0.000 2.728 307 G HA2 0.389 4.349 3.960 0.000 0.000 0.294 307 G HA3 0.389 4.349 3.960 0.000 0.000 0.294 307 G C 0.552 175.102 174.900 -0.585 0.000 1.342 307 G CA -0.293 44.627 45.100 -0.299 0.000 0.866 307 G HN 2.458 nan 8.290 nan 0.000 0.534 308 G N -2.139 106.213 108.800 -0.746 0.000 2.828 308 G HA2 0.347 4.307 3.960 0.000 0.000 0.463 308 G HA3 0.347 4.307 3.960 0.000 0.000 0.463 308 G C -0.403 173.979 174.900 -0.864 0.000 1.394 308 G CA 0.329 44.608 45.100 -1.369 0.000 0.862 308 G HN 1.817 nan 8.290 nan 0.000 0.540 309 F N 0.076 119.716 119.950 -0.516 0.000 2.577 309 F HA 0.816 5.343 4.527 0.000 0.000 0.318 309 F C 0.857 176.555 175.800 -0.170 0.000 1.065 309 F CA 0.083 57.930 58.000 -0.255 0.000 0.929 309 F CB 2.097 40.982 39.000 -0.191 0.000 1.237 309 F HN 0.969 nan 8.300 nan 0.000 0.468 310 A N 1.568 124.415 122.820 0.046 0.000 2.312 310 A HA 0.540 4.860 4.320 0.000 0.000 0.310 310 A C 0.828 178.305 177.584 -0.178 0.000 1.139 310 A CA -0.617 51.367 52.037 -0.088 0.000 0.886 310 A CB 1.177 20.141 19.000 -0.060 0.000 1.350 310 A HN 0.856 nan 8.150 nan 0.000 0.479 311 K N -1.089 118.977 120.400 -0.558 0.000 2.243 311 K HA 0.032 4.352 4.320 0.000 0.000 0.201 311 K C -0.553 175.850 176.600 -0.327 0.000 1.051 311 K CA 0.513 56.422 56.287 -0.630 0.000 0.970 311 K CB 0.125 31.873 32.500 -1.253 0.000 0.755 311 K HN 0.608 nan 8.250 nan 0.000 0.465 312 W N 1.902 123.251 121.300 0.082 0.000 2.975 312 W HA 0.396 5.056 4.660 0.000 0.000 0.342 312 W C -2.673 173.859 176.519 0.022 0.000 1.168 312 W CA -3.001 54.420 57.345 0.127 0.000 1.141 312 W CB 0.132 29.664 29.460 0.120 0.000 1.445 312 W HN -0.241 nan 8.180 nan 0.000 0.560 313 P HA -0.025 nan 4.420 nan 0.000 0.271 313 P C -0.007 177.360 177.300 0.112 0.000 1.218 313 P CA 0.613 63.765 63.100 0.087 0.000 0.780 313 P CB 0.767 32.492 31.700 0.040 0.000 0.901 314 D N -1.773 118.665 120.400 0.063 0.000 2.772 314 D HA -0.137 4.503 4.640 0.000 0.000 0.233 314 D C -0.020 176.329 176.300 0.081 0.000 1.143 314 D CA 1.207 55.244 54.000 0.061 0.000 0.700 314 D CB -1.439 39.390 40.800 0.048 0.000 1.076 314 D HN 0.378 nan 8.370 nan 0.000 0.430 315 S N -1.654 114.107 115.700 0.100 0.000 2.638 315 S HA 0.395 4.865 4.470 0.000 0.000 0.302 315 S C -0.457 174.220 174.600 0.128 0.000 1.096 315 S CA -0.594 57.664 58.200 0.096 0.000 0.953 315 S CB 1.363 64.668 63.200 0.175 0.000 1.107 315 S HN 0.218 nan 8.310 nan 0.000 0.503 316 H N 2.394 121.490 119.070 0.042 0.000 2.803 316 H HA 0.268 4.824 4.556 0.000 0.000 0.330 316 H C -1.911 173.421 175.328 0.007 0.000 1.057 316 H CA -1.461 54.610 56.048 0.039 0.000 1.458 316 H CB 0.688 30.496 29.762 0.076 0.000 1.470 316 H HN 0.433 nan 8.280 nan 0.000 0.560 317 P HA 0.084 nan 4.420 nan 0.000 0.279 317 P C -1.104 176.298 177.300 0.169 0.000 1.252 317 P CA -0.455 62.666 63.100 0.036 0.000 0.811 317 P CB 1.626 33.243 31.700 -0.139 0.000 1.035 318 D N -1.051 119.465 120.400 0.194 0.000 2.583 318 D HA 0.455 5.096 4.640 0.000 0.000 0.248 318 D C 0.893 177.414 176.300 0.369 0.000 1.209 318 D CA -0.980 53.214 54.000 0.323 0.000 0.848 318 D CB 0.409 41.369 40.800 0.267 0.000 1.431 318 D HN 0.179 nan 8.370 nan 0.000 0.436 319 A N 0.351 123.409 122.820 0.396 0.000 1.883 319 A HA -0.152 4.168 4.320 0.000 0.000 0.217 319 A C 2.011 179.619 177.584 0.040 0.000 1.186 319 A CA 1.728 54.015 52.037 0.417 0.000 0.624 319 A CB -1.051 18.198 19.000 0.416 0.000 0.822 319 A HN 0.652 nan 8.150 nan 0.000 0.444 320 L N -1.443 119.653 121.223 -0.211 0.000 1.989 320 L HA -0.232 4.108 4.340 0.000 0.000 0.211 320 L C 2.488 179.152 176.870 -0.343 0.000 1.071 320 L CA 2.336 56.713 54.840 -0.771 0.000 0.749 320 L CB -0.393 41.483 42.059 -0.306 0.000 0.890 320 L HN 0.555 nan 8.230 nan 0.000 0.431 321 H N -0.715 118.319 119.070 -0.061 0.000 2.495 321 H HA 0.031 4.587 4.556 0.000 0.000 0.287 321 H C 2.115 177.409 175.328 -0.056 0.000 1.033 321 H CA 1.015 57.041 56.048 -0.037 0.000 1.307 321 H CB -0.128 29.611 29.762 -0.038 0.000 1.401 321 H HN 0.518 nan 8.280 nan 0.000 0.555 322 A N 0.189 123.055 122.820 0.076 0.000 1.873 322 A HA -0.204 4.116 4.320 0.000 0.000 0.215 322 A C 2.062 179.700 177.584 0.090 0.000 1.186 322 A CA 1.405 53.495 52.037 0.088 0.000 0.616 322 A CB -0.882 18.030 19.000 -0.146 0.000 0.823 322 A HN 0.507 nan 8.150 nan 0.000 0.442 323 Y N -0.532 119.728 120.300 -0.067 0.000 2.163 323 Y HA -0.173 4.377 4.550 0.000 0.000 0.288 323 Y C 1.926 177.460 175.900 -0.610 0.000 1.136 323 Y CA 1.754 59.661 58.100 -0.322 0.000 1.147 323 Y CB -0.563 37.523 38.460 -0.623 0.000 0.987 323 Y HN 0.276 nan 8.280 nan 0.000 0.509 324 F N -0.238 119.346 119.950 -0.610 0.000 2.234 324 F HA -0.024 4.503 4.527 0.000 0.000 0.299 324 F C 2.567 177.975 175.800 -0.653 0.000 1.087 324 F CA 1.093 58.618 58.000 -0.791 0.000 1.340 324 F CB -0.794 37.754 39.000 -0.752 0.000 1.031 324 F HN 0.139 nan 8.300 nan 0.000 0.500 325 G N 0.292 108.805 108.800 -0.479 0.000 2.402 325 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 325 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 325 G C 1.722 176.136 174.900 -0.811 0.000 1.162 325 G CA 0.770 45.426 45.100 -0.740 0.000 0.777 325 G HN 0.334 nan 8.290 nan 0.000 0.539 326 I N 0.273 120.409 120.570 -0.723 0.000 2.252 326 I HA -0.174 3.996 4.170 0.000 0.000 0.245 326 I C 2.696 178.510 176.117 -0.505 0.000 1.102 326 I CA 0.547 61.544 61.300 -0.505 0.000 1.385 326 I CB -0.163 37.708 38.000 -0.215 0.000 1.064 326 I HN 0.184 nan 8.210 nan 0.000 0.414 327 C N 0.727 119.633 119.300 -0.656 0.000 2.435 327 C HA -0.070 4.390 4.460 0.000 0.000 0.279 327 C C 2.914 177.737 174.990 -0.280 0.000 1.321 327 C CA 0.958 59.635 59.018 -0.569 0.000 1.752 327 C CB -1.675 25.454 27.740 -1.018 0.000 1.959 327 C HN 0.668 nan 8.230 nan 0.000 0.500 328 G N 0.247 108.879 108.800 -0.281 0.000 2.402 328 G HA2 -0.137 3.823 3.960 0.000 0.000 0.216 328 G HA3 -0.137 3.823 3.960 0.000 0.000 0.216 328 G C 1.415 176.166 174.900 -0.249 0.000 1.162 328 G CA 0.547 45.518 45.100 -0.215 0.000 0.777 328 G HN 0.340 nan 8.290 nan 0.000 0.539 329 L N 1.261 122.300 121.223 -0.307 0.000 2.046 329 L HA -0.007 4.333 4.340 0.000 0.000 0.208 329 L C 3.057 179.762 176.870 -0.274 0.000 1.077 329 L CA 1.902 56.561 54.840 -0.302 0.000 0.747 329 L CB -1.037 40.767 42.059 -0.426 0.000 0.896 329 L HN 0.332 nan 8.230 nan 0.000 0.432 330 S N -0.962 114.571 115.700 -0.277 0.000 2.400 330 S HA -0.166 4.304 4.470 0.000 0.000 0.232 330 S C 2.002 176.502 174.600 -0.168 0.000 1.025 330 S CA 0.823 58.897 58.200 -0.210 0.000 0.993 330 S CB -0.153 62.927 63.200 -0.201 0.000 0.808 330 S HN 0.254 nan 8.310 nan 0.000 0.478 331 L N 1.176 122.269 121.223 -0.218 0.000 2.191 331 L HA 0.182 4.522 4.340 0.000 0.000 0.212 331 L C 2.012 178.814 176.870 -0.112 0.000 1.103 331 L CA 1.648 56.323 54.840 -0.275 0.000 0.769 331 L CB -0.696 40.971 42.059 -0.652 0.000 0.908 331 L HN 0.464 nan 8.230 nan 0.000 0.438 332 M N -1.312 118.180 119.600 -0.179 0.000 2.493 332 M HA 0.105 4.585 4.480 0.000 0.000 0.244 332 M C -0.329 175.935 176.300 -0.060 0.000 1.182 332 M CA -0.030 55.080 55.300 -0.317 0.000 0.981 332 M CB 0.019 32.224 32.600 -0.657 0.000 1.551 332 M HN 0.046 nan 8.290 nan 0.000 0.476 333 E N 2.184 122.357 120.200 -0.045 0.000 2.811 333 E HA -0.192 4.158 4.350 0.000 0.000 0.150 333 E C -0.238 176.338 176.600 -0.040 0.000 1.823 333 E CA 0.297 56.685 56.400 -0.020 0.000 0.661 333 E CB -0.581 29.146 29.700 0.045 0.000 1.086 333 E HN 0.377 nan 8.360 nan 0.000 0.354 334 E N 1.130 121.263 120.200 -0.111 0.000 2.249 334 E HA 0.267 4.617 4.350 0.000 0.000 0.280 334 E C -0.563 175.974 176.600 -0.105 0.000 1.016 334 E CA -0.485 55.830 56.400 -0.142 0.000 0.830 334 E CB 1.368 30.884 29.700 -0.305 0.000 1.081 334 E HN 0.163 nan 8.360 nan 0.000 0.395 335 S N 3.396 119.069 115.700 -0.045 0.000 2.571 335 S HA 0.334 4.805 4.470 0.000 0.000 0.297 335 S C 0.895 175.516 174.600 0.035 0.000 1.234 335 S CA 1.116 59.321 58.200 0.009 0.000 1.120 335 S CB -0.829 62.398 63.200 0.044 0.000 0.923 335 S HN 0.977 nan 8.310 nan 0.000 0.504 336 G N 4.151 112.975 108.800 0.040 0.000 2.159 336 G HA2 -0.174 3.786 3.960 0.000 0.000 0.227 336 G HA3 -0.174 3.786 3.960 0.000 0.000 0.227 336 G C -0.064 174.884 174.900 0.080 0.000 0.986 336 G CA 0.025 45.181 45.100 0.093 0.000 0.651 336 G HN 0.736 nan 8.290 nan 0.000 0.523 337 I N 0.968 121.530 120.570 -0.015 0.000 2.447 337 I HA 0.328 4.498 4.170 0.000 0.000 0.287 337 I C 1.049 177.138 176.117 -0.047 0.000 1.023 337 I CA -1.208 60.064 61.300 -0.046 0.000 1.083 337 I CB 1.593 39.485 38.000 -0.181 0.000 1.245 337 I HN 0.087 nan 8.210 nan 0.000 0.434 338 C N 4.124 123.408 119.300 -0.027 0.000 2.775 338 C HA 0.027 4.487 4.460 0.000 0.000 0.391 338 C C 1.029 175.995 174.990 -0.040 0.000 1.295 338 C CA -0.258 58.746 59.018 -0.023 0.000 2.119 338 C CB -0.241 27.491 27.740 -0.013 0.000 2.705 338 C HN 0.711 nan 8.230 nan 0.000 0.710 339 K N 0.728 121.115 120.400 -0.021 0.000 2.270 339 K HA 0.432 4.752 4.320 0.000 0.000 0.276 339 K C -0.525 176.071 176.600 -0.006 0.000 1.023 339 K CA -0.241 56.034 56.287 -0.021 0.000 0.955 339 K CB 0.639 33.136 32.500 -0.006 0.000 0.975 339 K HN 0.536 nan 8.250 nan 0.000 0.471 340 V N 4.246 124.157 119.914 -0.004 0.000 2.612 340 V HA 0.150 4.270 4.120 0.000 0.000 0.301 340 V C -0.695 175.476 176.094 0.128 0.000 1.046 340 V CA -0.680 61.650 62.300 0.049 0.000 0.946 340 V CB 1.421 33.255 31.823 0.019 0.000 1.003 340 V HN 0.844 nan 8.190 nan 0.000 0.459 341 H N 8.702 127.828 119.070 0.092 0.000 2.911 341 H HA 0.367 4.923 4.556 0.000 0.000 0.273 341 H C -1.779 173.668 175.328 0.197 0.000 1.157 341 H CA -2.118 54.000 56.048 0.117 0.000 1.402 341 H CB 1.499 31.330 29.762 0.116 0.000 1.463 341 H HN 0.506 nan 8.280 nan 0.000 0.475 342 P HA -0.180 nan 4.420 nan 0.000 0.217 342 P C 0.974 178.598 177.300 0.540 0.000 1.148 342 P CA 1.649 64.973 63.100 0.374 0.000 0.828 342 P CB 0.301 32.067 31.700 0.110 0.000 0.783 343 A N -1.090 122.060 122.820 0.549 0.000 1.984 343 A HA 0.033 4.353 4.320 0.000 0.000 0.214 343 A C 2.074 179.860 177.584 0.337 0.000 1.173 343 A CA 0.632 52.891 52.037 0.371 0.000 0.673 343 A CB -1.069 18.071 19.000 0.234 0.000 0.830 343 A HN 0.147 nan 8.150 nan 0.000 0.453 344 L N -0.801 120.468 121.223 0.078 0.000 2.529 344 L HA 0.214 4.554 4.340 0.000 0.000 0.223 344 L C 0.562 177.628 176.870 0.326 0.000 1.113 344 L CA 0.933 55.759 54.840 -0.023 0.000 0.861 344 L CB -0.727 41.031 42.059 -0.503 0.000 1.012 344 L HN 0.562 nan 8.230 nan 0.000 0.461 345 N N -0.332 118.647 118.700 0.465 0.000 2.756 345 N HA -0.172 4.568 4.740 0.000 0.000 0.248 345 N C -0.748 174.980 175.510 0.364 0.000 1.062 345 N CA 0.959 54.286 53.050 0.461 0.000 0.696 345 N CB -1.181 37.675 38.487 0.614 0.000 0.946 345 N HN 0.260 nan 8.380 nan 0.000 0.548 346 V N -3.489 116.579 119.914 0.257 0.000 3.206 346 V HA 0.842 4.962 4.120 0.000 0.000 0.305 346 V C 0.506 176.681 176.094 0.135 0.000 1.257 346 V CA -0.435 61.976 62.300 0.184 0.000 1.057 346 V CB 1.445 33.359 31.823 0.151 0.000 1.075 346 V HN 0.481 nan 8.190 nan 0.000 0.443 347 S N -0.014 115.729 115.700 0.072 0.000 2.585 347 S HA 0.198 4.668 4.470 0.000 0.000 0.273 347 S C 1.400 176.053 174.600 0.089 0.000 1.339 347 S CA 0.386 58.617 58.200 0.052 0.000 1.028 347 S CB 0.911 64.117 63.200 0.009 0.000 0.906 347 S HN 1.862 nan 8.310 nan 0.000 0.528 348 T N -0.124 114.479 114.554 0.081 0.000 2.803 348 T HA -0.239 4.111 4.350 0.000 0.000 0.269 348 T C 1.768 176.506 174.700 0.065 0.000 1.052 348 T CA 1.256 63.410 62.100 0.090 0.000 1.136 348 T CB -0.527 68.369 68.868 0.047 0.000 0.864 348 T HN 0.740 nan 8.240 nan 0.000 0.467 349 R N 1.147 121.668 120.500 0.036 0.000 2.083 349 R HA -0.139 4.201 4.340 0.000 0.000 0.237 349 R C 2.352 178.660 176.300 0.013 0.000 1.137 349 R CA 2.142 58.252 56.100 0.017 0.000 0.951 349 R CB -1.007 29.296 30.300 0.006 0.000 0.851 349 R HN 0.450 nan 8.270 nan 0.000 0.434 350 T N 0.392 114.957 114.554 0.018 0.000 2.821 350 T HA -0.137 4.213 4.350 0.000 0.000 0.267 350 T C 1.906 176.614 174.700 0.012 0.000 1.046 350 T CA 1.582 63.685 62.100 0.006 0.000 1.139 350 T CB -0.221 68.653 68.868 0.011 0.000 0.871 350 T HN 0.551 nan 8.240 nan 0.000 0.454 351 S N 1.859 117.600 115.700 0.069 0.000 2.368 351 S HA -0.088 4.382 4.470 0.000 0.000 0.224 351 S C 1.896 176.528 174.600 0.054 0.000 1.029 351 S CA 0.928 59.193 58.200 0.109 0.000 0.988 351 S CB -0.420 62.966 63.200 0.310 0.000 0.838 351 S HN 0.561 nan 8.310 nan 0.000 0.462 352 E N 0.881 121.108 120.200 0.045 0.000 2.110 352 E HA -0.081 4.269 4.350 0.000 0.000 0.193 352 E C 2.378 178.948 176.600 -0.051 0.000 0.988 352 E CA 0.668 57.072 56.400 0.008 0.000 0.804 352 E CB -0.168 29.541 29.700 0.015 0.000 0.745 352 E HN 0.337 nan 8.360 nan 0.000 0.458 353 R N 1.182 121.647 120.500 -0.058 0.000 2.115 353 R HA -0.122 4.218 4.340 0.000 0.000 0.230 353 R C 2.208 178.400 176.300 -0.180 0.000 1.111 353 R CA 0.729 56.773 56.100 -0.094 0.000 0.976 353 R CB -0.307 29.953 30.300 -0.067 0.000 0.870 353 R HN 0.214 nan 8.270 nan 0.000 0.445 354 L N 1.008 122.106 121.223 -0.208 0.000 2.156 354 L HA -0.045 4.295 4.340 0.000 0.000 0.208 354 L C 2.811 179.295 176.870 -0.644 0.000 1.095 354 L CA 2.176 56.771 54.840 -0.409 0.000 0.770 354 L CB -0.667 41.211 42.059 -0.303 0.000 0.914 354 L HN 0.094 nan 8.230 nan 0.000 0.439 355 R N -0.258 120.035 120.500 -0.345 0.000 2.073 355 R HA -0.162 4.178 4.340 0.000 0.000 0.234 355 R C 1.930 178.100 176.300 -0.218 0.000 1.134 355 R CA 1.943 57.901 56.100 -0.237 0.000 0.952 355 R CB -1.895 28.370 30.300 -0.058 0.000 0.850 355 R HN 0.543 nan 8.270 nan 0.000 0.433 356 D N 0.736 121.024 120.400 -0.188 0.000 2.104 356 D HA -0.125 4.515 4.640 0.000 0.000 0.194 356 D C 1.966 178.119 176.300 -0.245 0.000 0.994 356 D CA 1.291 55.198 54.000 -0.155 0.000 0.830 356 D CB -0.351 40.379 40.800 -0.117 0.000 0.959 356 D HN 0.352 nan 8.370 nan 0.000 0.452 357 L N 0.114 121.103 121.223 -0.390 0.000 2.261 357 L HA -0.192 4.148 4.340 0.000 0.000 0.216 357 L C 2.113 178.416 176.870 -0.946 0.000 1.114 357 L CA 1.235 55.699 54.840 -0.626 0.000 0.777 357 L CB -0.140 41.518 42.059 -0.669 0.000 0.910 357 L HN 0.215 nan 8.230 nan 0.000 0.440 358 H N -2.158 116.518 119.070 -0.656 0.000 2.415 358 H HA -0.081 4.475 4.556 0.000 0.000 0.297 358 H C 2.120 177.341 175.328 -0.178 0.000 1.048 358 H CA 0.267 56.039 56.048 -0.460 0.000 1.365 358 H CB 0.451 30.060 29.762 -0.255 0.000 1.421 358 H HN 0.311 nan 8.280 nan 0.000 0.533 359 Q N 0.678 120.462 119.800 -0.028 0.000 1.975 359 Q HA -0.145 4.195 4.340 0.000 0.000 0.205 359 Q C 2.599 178.623 176.000 0.040 0.000 0.990 359 Q CA 1.708 57.519 55.803 0.014 0.000 0.845 359 Q CB -0.766 27.966 28.738 -0.010 0.000 0.913 359 Q HN 0.457 nan 8.270 nan 0.000 0.420 360 S N -0.513 115.183 115.700 -0.008 0.000 2.488 360 S HA -0.146 4.324 4.470 0.000 0.000 0.246 360 S C 1.392 176.138 174.600 0.244 0.000 0.992 360 S CA 0.860 59.101 58.200 0.069 0.000 0.963 360 S CB -0.344 62.873 63.200 0.028 0.000 0.754 360 S HN 0.345 nan 8.310 nan 0.000 0.519 361 W N 1.801 123.126 121.300 0.041 0.000 2.630 361 W HA 0.379 5.039 4.660 0.000 0.000 0.271 361 W C 1.892 178.418 176.519 0.012 0.000 1.244 361 W CA -0.044 57.317 57.345 0.027 0.000 1.353 361 W CB -0.798 28.681 29.460 0.031 0.000 1.080 361 W HN 0.434 nan 8.180 nan 0.000 0.594 362 K N 1.756 122.298 120.400 0.236 0.000 2.715 362 K HA 0.399 4.719 4.320 0.000 0.000 0.248 362 K C 0.223 176.880 176.600 0.095 0.000 1.276 362 K CA 0.851 57.218 56.287 0.132 0.000 1.209 362 K CB -1.462 31.096 32.500 0.097 0.000 1.509 362 K HN 0.226 nan 8.250 nan 0.000 0.261 363 T N 0.000 114.609 114.554 0.092 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.139 62.100 0.065 0.000 1.349 363 T CB 0.000 68.910 68.868 0.070 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658