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 1tno_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 0.000 176.921 176.870 0.086 0.000 1.165 18 L CA 0.000 54.876 54.840 0.059 0.000 0.813 18 L CB 0.000 42.086 42.059 0.045 0.000 0.961 19 D N -0.338 120.115 120.400 0.089 0.000 2.374 19 D HA 0.364 5.004 4.640 0.000 0.000 0.239 19 D C -0.996 175.422 176.300 0.196 0.000 0.991 19 D CA -0.374 53.703 54.000 0.129 0.000 0.960 19 D CB 1.993 42.843 40.800 0.083 0.000 1.284 19 D HN 0.194 nan 8.370 nan 0.000 0.512 20 F N 1.005 120.999 119.950 0.074 0.000 2.404 20 F HA 0.261 4.788 4.527 0.000 0.000 0.359 20 F C -0.384 175.461 175.800 0.075 0.000 1.134 20 F CA -1.139 56.936 58.000 0.125 0.000 1.160 20 F CB 0.306 39.394 39.000 0.146 0.000 1.186 20 F HN 0.119 nan 8.300 nan 0.000 0.526 21 L N 7.707 128.686 121.223 -0.407 0.000 2.416 21 L HA 0.161 4.501 4.340 0.000 0.000 0.243 21 L C 1.937 178.336 176.870 -0.784 0.000 1.373 21 L CA 0.490 55.013 54.840 -0.527 0.000 1.227 21 L CB -1.025 40.722 42.059 -0.521 0.000 1.428 21 L HN 0.666 nan 8.230 nan 0.000 0.425 22 R N 0.492 120.581 120.500 -0.685 0.000 2.113 22 R HA -0.205 4.135 4.340 0.000 0.000 0.244 22 R C 1.247 177.408 176.300 -0.232 0.000 1.142 22 R CA 2.052 57.876 56.100 -0.460 0.000 0.953 22 R CB 0.141 30.400 30.300 -0.069 0.000 0.860 22 R HN 0.522 nan 8.270 nan 0.000 0.438 23 D N -0.327 119.956 120.400 -0.194 0.000 2.144 23 D HA -0.167 4.473 4.640 0.000 0.000 0.199 23 D C 1.996 178.194 176.300 -0.170 0.000 0.984 23 D CA 1.018 54.943 54.000 -0.125 0.000 0.834 23 D CB -0.179 40.561 40.800 -0.100 0.000 0.955 23 D HN 0.173 nan 8.370 nan 0.000 0.465 24 R N 0.527 120.841 120.500 -0.309 0.000 2.081 24 R HA -0.139 4.201 4.340 0.000 0.000 0.235 24 R C 2.160 178.255 176.300 -0.341 0.000 1.131 24 R CA 1.387 57.274 56.100 -0.355 0.000 0.960 24 R CB -0.457 29.534 30.300 -0.514 0.000 0.856 24 R HN 0.277 nan 8.270 nan 0.000 0.436 25 H N -0.704 118.212 119.070 -0.257 0.000 2.457 25 H HA -0.021 4.535 4.556 0.000 0.000 0.294 25 H C 2.012 177.277 175.328 -0.105 0.000 1.064 25 H CA 1.545 57.427 56.048 -0.278 0.000 1.330 25 H CB -0.157 29.443 29.762 -0.270 0.000 1.395 25 H HN 0.089 nan 8.280 nan 0.000 0.541 26 V N 1.202 121.174 119.914 0.097 0.000 2.358 26 V HA -0.185 3.935 4.120 0.000 0.000 0.246 26 V C 2.648 178.812 176.094 0.116 0.000 1.047 26 V CA 1.326 63.731 62.300 0.175 0.000 1.035 26 V CB -0.220 31.663 31.823 0.102 0.000 0.658 26 V HN 0.283 nan 8.190 nan 0.000 0.452 27 R N -0.793 119.724 120.500 0.028 0.000 2.096 27 R HA -0.133 4.207 4.340 0.000 0.000 0.235 27 R C 2.193 178.493 176.300 0.000 0.000 1.127 27 R CA 1.676 57.775 56.100 -0.002 0.000 0.968 27 R CB -0.868 29.406 30.300 -0.043 0.000 0.861 27 R HN 0.576 nan 8.270 nan 0.000 0.440 28 F N 0.523 120.377 119.950 -0.161 0.000 2.075 28 F HA -0.197 4.330 4.527 0.000 0.000 0.297 28 F C 2.004 177.714 175.800 -0.150 0.000 1.113 28 F CA 1.553 59.425 58.000 -0.214 0.000 1.218 28 F CB -0.485 38.308 39.000 -0.344 0.000 0.984 28 F HN -0.113 nan 8.300 nan 0.000 0.472 29 F N 0.383 120.465 119.950 0.220 0.000 2.171 29 F HA -0.252 4.275 4.527 0.000 0.000 0.300 29 F C 2.718 178.477 175.800 -0.070 0.000 1.090 29 F CA 1.402 59.452 58.000 0.083 0.000 1.293 29 F CB -0.695 38.376 39.000 0.119 0.000 1.013 29 F HN 0.100 nan 8.300 nan 0.000 0.486 30 Q N 0.619 120.490 119.800 0.117 0.000 2.124 30 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 30 Q C 2.429 178.382 176.000 -0.079 0.000 0.977 30 Q CA 1.225 57.033 55.803 0.009 0.000 0.850 30 Q CB -0.117 28.622 28.738 0.001 0.000 0.901 30 Q HN 0.275 nan 8.270 nan 0.000 0.429 31 R N -0.320 120.092 120.500 -0.147 0.000 2.081 31 R HA -0.137 4.203 4.340 0.000 0.000 0.235 31 R C 2.288 178.435 176.300 -0.255 0.000 1.131 31 R CA 1.526 57.493 56.100 -0.223 0.000 0.960 31 R CB -0.486 29.621 30.300 -0.322 0.000 0.856 31 R HN 0.434 nan 8.270 nan 0.000 0.436 32 C N 0.501 119.629 119.300 -0.285 0.000 2.425 32 C HA -0.063 4.397 4.460 0.000 0.000 0.277 32 C C 2.449 177.339 174.990 -0.166 0.000 1.280 32 C CA 0.247 59.123 59.018 -0.236 0.000 1.744 32 C CB -0.844 26.823 27.740 -0.122 0.000 1.989 32 C HN 0.392 nan 8.230 nan 0.000 0.491 33 L N 0.563 121.705 121.223 -0.135 0.000 2.376 33 L HA -0.026 4.314 4.340 0.000 0.000 0.219 33 L C 2.224 178.980 176.870 -0.191 0.000 1.133 33 L CA 1.475 56.217 54.840 -0.163 0.000 0.816 33 L CB -1.449 40.529 42.059 -0.134 0.000 0.933 33 L HN 0.561 nan 8.230 nan 0.000 0.449 34 Q N -1.114 118.586 119.800 -0.166 0.000 1.596 34 Q HA 0.123 4.463 4.340 0.000 0.000 0.516 34 Q C -0.178 175.732 176.000 -0.149 0.000 0.916 34 Q CA 0.450 56.162 55.803 -0.153 0.000 0.888 34 Q CB 0.327 28.988 28.738 -0.127 0.000 1.242 34 Q HN 0.095 nan 8.270 nan 0.000 0.383 35 V N 1.027 120.862 119.914 -0.131 0.000 2.735 35 V HA 0.418 4.538 4.120 0.000 0.000 0.310 35 V C -0.856 175.171 176.094 -0.112 0.000 1.061 35 V CA -0.597 61.640 62.300 -0.106 0.000 0.913 35 V CB 1.882 33.660 31.823 -0.075 0.000 1.005 35 V HN 0.284 nan 8.190 nan 0.000 0.428 36 L N 4.247 125.421 121.223 -0.082 0.000 2.354 36 L HA 0.623 4.963 4.340 0.000 0.000 0.269 36 L C -2.420 174.493 176.870 0.071 0.000 1.005 36 L CA -1.784 53.015 54.840 -0.069 0.000 0.819 36 L CB 1.973 43.951 42.059 -0.136 0.000 1.311 36 L HN 0.439 nan 8.230 nan 0.000 0.423 37 P HA 0.037 nan 4.420 nan 0.000 0.272 37 P C 0.409 177.824 177.300 0.192 0.000 1.230 37 P CA -0.380 62.831 63.100 0.184 0.000 0.788 37 P CB 0.686 32.515 31.700 0.215 0.000 0.949 38 E N 1.636 121.890 120.200 0.090 0.000 2.331 38 E HA -0.232 4.118 4.350 0.000 0.000 0.199 38 E C 1.302 177.913 176.600 0.019 0.000 1.008 38 E CA 0.583 57.018 56.400 0.060 0.000 0.843 38 E CB 0.071 29.790 29.700 0.032 0.000 0.761 38 E HN 0.334 nan 8.360 nan 0.000 0.507 39 R N -0.678 119.791 120.500 -0.052 0.000 2.339 39 R HA -0.103 4.237 4.340 0.000 0.000 0.199 39 R C 0.381 176.458 176.300 -0.371 0.000 1.018 39 R CA 0.740 56.709 56.100 -0.219 0.000 1.036 39 R CB -0.247 29.868 30.300 -0.308 0.000 0.899 39 R HN 0.267 nan 8.270 nan 0.000 0.473 40 Y N 1.232 121.548 120.300 0.028 0.000 2.607 40 Y HA 0.134 4.684 4.550 0.000 0.000 0.266 40 Y C 2.000 177.919 175.900 0.030 0.000 1.178 40 Y CA -0.052 58.070 58.100 0.035 0.000 1.226 40 Y CB 0.774 39.253 38.460 0.032 0.000 1.144 40 Y HN 0.182 nan 8.280 nan 0.000 0.528 41 S N -0.615 115.145 115.700 0.101 0.000 2.420 41 S HA -0.252 4.218 4.470 0.000 0.000 0.237 41 S C 2.017 176.650 174.600 0.054 0.000 1.023 41 S CA 1.543 59.786 58.200 0.071 0.000 0.991 41 S CB -0.765 62.459 63.200 0.039 0.000 0.792 41 S HN 0.485 nan 8.310 nan 0.000 0.488 42 S N 1.133 116.864 115.700 0.053 0.000 2.603 42 S HA 0.214 4.684 4.470 0.000 0.000 0.229 42 S C 1.352 175.981 174.600 0.050 0.000 0.972 42 S CA 0.328 58.552 58.200 0.040 0.000 0.935 42 S CB -0.654 62.572 63.200 0.043 0.000 0.769 42 S HN 0.590 nan 8.310 nan 0.000 0.536 43 L N 0.374 121.647 121.223 0.082 0.000 2.640 43 L HA 0.311 4.652 4.340 0.000 0.000 0.230 43 L C 2.370 179.262 176.870 0.037 0.000 1.123 43 L CA 0.144 55.032 54.840 0.080 0.000 0.900 43 L CB -0.155 41.988 42.059 0.140 0.000 1.146 43 L HN 0.228 nan 8.230 nan 0.000 0.484 44 E N 1.379 121.589 120.200 0.015 0.000 2.033 44 E HA -0.263 4.087 4.350 0.000 0.000 0.199 44 E C 2.050 178.607 176.600 -0.073 0.000 1.011 44 E CA 2.475 58.874 56.400 -0.001 0.000 0.815 44 E CB -0.221 29.471 29.700 -0.014 0.000 0.755 44 E HN 0.403 nan 8.360 nan 0.000 0.451 45 T N -2.202 112.213 114.554 -0.231 0.000 3.155 45 T HA -0.037 4.313 4.350 0.000 0.000 0.264 45 T C 1.033 175.627 174.700 -0.177 0.000 1.160 45 T CA 0.858 62.742 62.100 -0.360 0.000 1.075 45 T CB -0.388 68.157 68.868 -0.539 0.000 0.921 45 T HN 0.143 nan 8.240 nan 0.000 0.533 46 S N -0.727 114.916 115.700 -0.094 0.000 2.835 46 S HA 0.422 4.892 4.470 0.000 0.000 0.248 46 S C 1.054 175.646 174.600 -0.013 0.000 1.070 46 S CA -0.976 57.176 58.200 -0.080 0.000 1.090 46 S CB 0.209 63.361 63.200 -0.081 0.000 0.978 46 S HN 0.334 nan 8.310 nan 0.000 0.510 47 R N 0.223 120.754 120.500 0.051 0.000 2.120 47 R HA 0.078 4.418 4.340 0.000 0.000 0.234 47 R C 1.908 178.300 176.300 0.153 0.000 1.123 47 R CA 1.011 57.182 56.100 0.118 0.000 0.975 47 R CB -0.398 30.031 30.300 0.214 0.000 0.866 47 R HN 0.388 nan 8.270 nan 0.000 0.446 48 L N 0.958 122.258 121.223 0.129 0.000 2.131 48 L HA -0.144 4.196 4.340 0.000 0.000 0.210 48 L C 2.242 179.075 176.870 -0.062 0.000 1.092 48 L CA 2.217 57.109 54.840 0.087 0.000 0.759 48 L CB -0.766 41.257 42.059 -0.061 0.000 0.903 48 L HN 0.269 nan 8.230 nan 0.000 0.435 49 T N -3.793 110.664 114.554 -0.163 0.000 3.023 49 T HA -0.043 4.307 4.350 0.000 0.000 0.266 49 T C 1.909 176.295 174.700 -0.524 0.000 1.093 49 T CA 0.729 62.605 62.100 -0.373 0.000 1.129 49 T CB -0.356 68.282 68.868 -0.383 0.000 0.899 49 T HN 0.183 nan 8.240 nan 0.000 0.491 50 I N 2.196 122.633 120.570 -0.222 0.000 2.353 50 I HA 0.079 4.249 4.170 0.000 0.000 0.248 50 I C 3.093 179.159 176.117 -0.085 0.000 1.119 50 I CA 1.005 62.255 61.300 -0.084 0.000 1.417 50 I CB -1.727 36.290 38.000 0.027 0.000 1.078 50 I HN 0.379 nan 8.210 nan 0.000 0.421 51 A N 0.938 123.719 122.820 -0.065 0.000 1.902 51 A HA -0.270 4.050 4.320 0.000 0.000 0.217 51 A C 2.305 179.800 177.584 -0.148 0.000 1.181 51 A CA 1.501 53.502 52.037 -0.060 0.000 0.623 51 A CB -1.131 17.924 19.000 0.090 0.000 0.818 51 A HN 0.391 nan 8.150 nan 0.000 0.443 52 F N -0.036 119.709 119.950 -0.342 0.000 2.095 52 F HA -0.194 4.333 4.527 0.000 0.000 0.298 52 F C 1.978 177.461 175.800 -0.529 0.000 1.104 52 F CA 1.745 59.466 58.000 -0.464 0.000 1.232 52 F CB -0.523 38.114 39.000 -0.606 0.000 0.987 52 F HN 0.260 nan 8.300 nan 0.000 0.475 53 F N 0.199 119.766 119.950 -0.637 0.000 2.126 53 F HA -0.216 4.311 4.527 0.000 0.000 0.299 53 F C 2.611 177.922 175.800 -0.815 0.000 1.096 53 F CA 0.591 58.053 58.000 -0.896 0.000 1.255 53 F CB -0.831 37.980 39.000 -0.316 0.000 0.997 53 F HN 0.150 nan 8.300 nan 0.000 0.479 54 A N 0.459 123.098 122.820 -0.303 0.000 1.872 54 A HA -0.081 4.239 4.320 0.000 0.000 0.214 54 A C 2.133 179.395 177.584 -0.536 0.000 1.187 54 A CA 1.080 52.906 52.037 -0.352 0.000 0.614 54 A CB -0.959 18.019 19.000 -0.037 0.000 0.826 54 A HN 0.326 nan 8.150 nan 0.000 0.442 55 L N -0.843 120.128 121.223 -0.420 0.000 2.005 55 L HA -0.143 4.197 4.340 0.000 0.000 0.207 55 L C 2.906 179.508 176.870 -0.448 0.000 1.072 55 L CA 1.611 56.240 54.840 -0.351 0.000 0.744 55 L CB -0.555 41.351 42.059 -0.255 0.000 0.895 55 L HN 0.470 nan 8.230 nan 0.000 0.433 56 S N -0.049 115.241 115.700 -0.683 0.000 2.399 56 S HA -0.126 4.344 4.470 0.000 0.000 0.231 56 S C 1.976 176.318 174.600 -0.431 0.000 1.022 56 S CA 1.298 59.115 58.200 -0.638 0.000 0.983 56 S CB -0.416 62.062 63.200 -1.203 0.000 0.803 56 S HN 0.527 nan 8.310 nan 0.000 0.480 57 G N 1.387 109.790 108.800 -0.662 0.000 2.402 57 G HA2 -0.079 3.881 3.960 0.000 0.000 0.216 57 G HA3 -0.079 3.881 3.960 0.000 0.000 0.216 57 G C 1.418 176.016 174.900 -0.502 0.000 1.162 57 G CA 0.772 45.437 45.100 -0.726 0.000 0.777 57 G HN 0.507 nan 8.290 nan 0.000 0.539 58 L N 0.353 121.287 121.223 -0.483 0.000 2.017 58 L HA -0.071 4.269 4.340 0.000 0.000 0.208 58 L C 2.617 179.437 176.870 -0.083 0.000 1.073 58 L CA 1.413 56.169 54.840 -0.139 0.000 0.745 58 L CB -0.374 41.622 42.059 -0.104 0.000 0.894 58 L HN 0.187 nan 8.230 nan 0.000 0.432 59 D N 0.083 120.402 120.400 -0.135 0.000 2.133 59 D HA -0.274 4.366 4.640 0.000 0.000 0.195 59 D C 2.115 178.386 176.300 -0.048 0.000 0.997 59 D CA 1.499 55.449 54.000 -0.083 0.000 0.840 59 D CB 0.031 40.767 40.800 -0.107 0.000 0.947 59 D HN 0.047 nan 8.370 nan 0.000 0.452 60 M N -0.507 119.056 119.600 -0.062 0.000 2.279 60 M HA 0.054 4.534 4.480 0.000 0.000 0.264 60 M C 1.488 177.801 176.300 0.021 0.000 1.062 60 M CA 1.056 56.335 55.300 -0.035 0.000 1.099 60 M CB 0.029 32.584 32.600 -0.075 0.000 1.394 60 M HN 0.086 nan 8.290 nan 0.000 0.426 61 L N -1.303 119.958 121.223 0.062 0.000 2.640 61 L HA 0.132 4.472 4.340 0.000 0.000 0.230 61 L C 0.084 177.007 176.870 0.089 0.000 1.123 61 L CA -0.229 54.689 54.840 0.131 0.000 0.900 61 L CB -0.234 41.958 42.059 0.221 0.000 1.146 61 L HN 0.215 nan 8.230 nan 0.000 0.484 62 D N 0.692 121.119 120.400 0.046 0.000 2.812 62 D HA -0.199 4.441 4.640 0.000 0.000 0.237 62 D C 0.098 176.419 176.300 0.036 0.000 1.162 62 D CA 0.652 54.671 54.000 0.031 0.000 0.740 62 D CB -0.731 40.090 40.800 0.034 0.000 1.000 62 D HN 0.207 nan 8.370 nan 0.000 0.416 63 S N 0.477 116.195 115.700 0.030 0.000 3.093 63 S HA 0.171 4.641 4.470 0.000 0.000 0.251 63 S C 1.551 176.159 174.600 0.014 0.000 0.905 63 S CA -0.567 57.653 58.200 0.033 0.000 1.124 63 S CB 0.163 63.400 63.200 0.062 0.000 1.124 63 S HN 0.399 nan 8.310 nan 0.000 0.574 64 L N 2.219 123.440 121.223 -0.004 0.000 2.265 64 L HA -0.142 4.198 4.340 0.000 0.000 0.215 64 L C 2.352 179.217 176.870 -0.009 0.000 1.117 64 L CA 1.396 56.226 54.840 -0.018 0.000 0.782 64 L CB -0.315 41.727 42.059 -0.027 0.000 0.914 64 L HN 0.512 nan 8.230 nan 0.000 0.441 65 D N 0.138 120.538 120.400 -0.000 0.000 2.311 65 D HA -0.157 4.483 4.640 0.000 0.000 0.212 65 D C 1.721 178.021 176.300 -0.000 0.000 0.972 65 D CA 1.467 55.468 54.000 0.001 0.000 0.887 65 D CB -0.400 40.403 40.800 0.005 0.000 0.915 65 D HN 0.411 nan 8.370 nan 0.000 0.497 66 V N -0.693 119.222 119.914 0.001 0.000 3.592 66 V HA 0.101 4.221 4.120 0.000 0.000 0.272 66 V C 0.780 176.868 176.094 -0.010 0.000 1.228 66 V CA 0.186 62.486 62.300 -0.001 0.000 1.173 66 V CB -1.123 30.705 31.823 0.007 0.000 0.873 66 V HN 0.212 nan 8.190 nan 0.000 0.476 67 V N -2.634 117.272 119.914 -0.013 0.000 3.040 67 V HA 0.598 4.718 4.120 0.000 0.000 0.312 67 V C -0.201 175.886 176.094 -0.013 0.000 1.115 67 V CA -0.958 61.329 62.300 -0.021 0.000 0.998 67 V CB 1.879 33.683 31.823 -0.032 0.000 1.042 67 V HN 0.220 nan 8.190 nan 0.000 0.433 68 N N 2.290 120.982 118.700 -0.013 0.000 2.605 68 N HA 0.198 4.938 4.740 0.000 0.000 0.258 68 N C 0.939 176.459 175.510 0.016 0.000 1.156 68 N CA 0.075 53.126 53.050 0.002 0.000 1.008 68 N CB 0.575 39.062 38.487 0.000 0.000 1.354 68 N HN 0.810 nan 8.380 nan 0.000 0.509 69 K N 1.337 121.748 120.400 0.018 0.000 2.059 69 K HA -0.190 4.130 4.320 0.000 0.000 0.212 69 K C 0.708 177.343 176.600 0.059 0.000 1.050 69 K CA 1.577 57.883 56.287 0.031 0.000 0.927 69 K CB 0.171 32.687 32.500 0.026 0.000 0.714 69 K HN 0.522 nan 8.250 nan 0.000 0.447 70 D N 0.919 121.355 120.400 0.061 0.000 2.117 70 D HA -0.153 4.487 4.640 0.000 0.000 0.197 70 D C 1.601 177.968 176.300 0.111 0.000 0.987 70 D CA 1.109 55.159 54.000 0.084 0.000 0.829 70 D CB -0.239 40.601 40.800 0.067 0.000 0.961 70 D HN 0.210 nan 8.370 nan 0.000 0.460 71 D N 0.759 121.214 120.400 0.092 0.000 2.097 71 D HA -0.072 4.569 4.640 0.000 0.000 0.195 71 D C 2.397 178.801 176.300 0.172 0.000 0.989 71 D CA 0.425 54.493 54.000 0.113 0.000 0.827 71 D CB -0.152 40.682 40.800 0.056 0.000 0.966 71 D HN 0.266 nan 8.370 nan 0.000 0.456 72 I N 0.967 121.618 120.570 0.134 0.000 2.286 72 I HA -0.223 3.947 4.170 0.000 0.000 0.248 72 I C 2.446 178.719 176.117 0.260 0.000 1.115 72 I CA 0.660 62.073 61.300 0.189 0.000 1.392 72 I CB -0.157 37.898 38.000 0.092 0.000 1.065 72 I HN -0.032 nan 8.210 nan 0.000 0.418 73 I N 0.480 121.163 120.570 0.189 0.000 2.286 73 I HA -0.243 3.927 4.170 0.000 0.000 0.248 73 I C 2.485 178.770 176.117 0.281 0.000 1.115 73 I CA 1.167 62.580 61.300 0.187 0.000 1.392 73 I CB -0.370 37.746 38.000 0.193 0.000 1.065 73 I HN 0.251 nan 8.210 nan 0.000 0.418 74 E N -0.139 120.243 120.200 0.304 0.000 2.107 74 E HA -0.243 4.107 4.350 0.000 0.000 0.191 74 E C 1.740 178.545 176.600 0.341 0.000 0.982 74 E CA 1.070 57.667 56.400 0.329 0.000 0.809 74 E CB -0.365 29.534 29.700 0.332 0.000 0.756 74 E HN 0.607 nan 8.360 nan 0.000 0.459 75 W N 1.889 123.321 121.300 0.219 0.000 2.355 75 W HA -0.111 4.549 4.660 0.000 0.000 0.309 75 W C 1.975 178.561 176.519 0.111 0.000 1.206 75 W CA 1.315 58.792 57.345 0.221 0.000 1.284 75 W CB -0.439 29.120 29.460 0.164 0.000 1.145 75 W HN -0.081 nan 8.180 nan 0.000 0.502 76 I N -0.524 120.049 120.570 0.005 0.000 2.163 76 I HA -0.377 3.793 4.170 0.000 0.000 0.243 76 I C 2.111 178.122 176.117 -0.177 0.000 1.085 76 I CA 1.524 62.675 61.300 -0.248 0.000 1.347 76 I CB -0.926 36.977 38.000 -0.162 0.000 1.044 76 I HN -0.068 nan 8.210 nan 0.000 0.408 77 Y N 1.111 121.400 120.300 -0.018 0.000 2.403 77 Y HA -0.201 4.349 4.550 0.000 0.000 0.291 77 Y C 2.886 178.636 175.900 -0.250 0.000 1.143 77 Y CA 1.332 59.397 58.100 -0.058 0.000 1.257 77 Y CB -0.585 37.849 38.460 -0.043 0.000 0.984 77 Y HN 0.276 nan 8.280 nan 0.000 0.550 78 S N -1.148 114.414 115.700 -0.229 0.000 2.561 78 S HA -0.027 4.443 4.470 0.000 0.000 0.225 78 S C 1.435 175.811 174.600 -0.374 0.000 0.977 78 S CA 0.507 58.437 58.200 -0.451 0.000 0.926 78 S CB -0.581 62.162 63.200 -0.763 0.000 0.769 78 S HN 0.482 nan 8.310 nan 0.000 0.533 79 L N 0.503 121.517 121.223 -0.347 0.000 2.607 79 L HA 0.297 4.637 4.340 0.000 0.000 0.228 79 L C 1.206 177.857 176.870 -0.364 0.000 1.123 79 L CA -0.073 54.587 54.840 -0.302 0.000 0.890 79 L CB -0.142 41.743 42.059 -0.290 0.000 1.103 79 L HN 0.398 nan 8.230 nan 0.000 0.468 80 Q N 1.354 120.807 119.800 -0.579 0.000 2.304 80 Q HA 0.198 4.538 4.340 0.000 0.000 0.260 80 Q C -0.710 174.976 176.000 -0.522 0.000 0.965 80 Q CA -0.230 54.983 55.803 -0.984 0.000 0.898 80 Q CB 1.473 29.614 28.738 -0.995 0.000 1.196 80 Q HN -0.023 nan 8.270 nan 0.000 0.402 81 V N 6.952 126.598 119.914 -0.448 0.000 2.356 81 V HA 0.177 4.297 4.120 0.000 0.000 0.258 81 V C 0.158 176.112 176.094 -0.232 0.000 1.065 81 V CA -0.165 61.977 62.300 -0.263 0.000 0.935 81 V CB 0.123 31.836 31.823 -0.183 0.000 1.061 81 V HN 0.733 nan 8.190 nan 0.000 0.484 82 L N 7.833 128.937 121.223 -0.198 0.000 2.421 82 L HA 0.491 4.831 4.340 0.000 0.000 0.263 82 L C -1.885 174.918 176.870 -0.112 0.000 1.122 82 L CA -1.856 52.891 54.840 -0.155 0.000 0.804 82 L CB 1.380 43.352 42.059 -0.145 0.000 1.150 82 L HN 0.377 nan 8.230 nan 0.000 0.457 83 P HA 0.074 nan 4.420 nan 0.000 0.271 83 P C -0.451 176.809 177.300 -0.067 0.000 1.216 83 P CA -0.350 62.706 63.100 -0.073 0.000 0.776 83 P CB 0.666 32.327 31.700 -0.065 0.000 0.881 84 T N -1.318 113.201 114.554 -0.058 0.000 2.698 84 T HA 0.237 4.587 4.350 0.000 0.000 0.295 84 T C 1.750 176.421 174.700 -0.047 0.000 1.007 84 T CA 0.345 62.414 62.100 -0.052 0.000 0.980 84 T CB -0.382 68.459 68.868 -0.046 0.000 1.036 84 T HN 0.430 nan 8.240 nan 0.000 0.526 85 E N 1.028 121.202 120.200 -0.043 0.000 2.049 85 E HA -0.231 4.119 4.350 0.000 0.000 0.198 85 E C 1.607 178.185 176.600 -0.037 0.000 1.007 85 E CA 1.910 58.287 56.400 -0.039 0.000 0.809 85 E CB -1.471 28.208 29.700 -0.034 0.000 0.749 85 E HN 0.963 nan 8.360 nan 0.000 0.450 86 D N -0.592 119.787 120.400 -0.035 0.000 2.363 86 D HA -0.062 4.578 4.640 0.000 0.000 0.226 86 D C 0.430 176.710 176.300 -0.035 0.000 1.020 86 D CA 0.438 54.418 54.000 -0.033 0.000 0.892 86 D CB -0.435 40.346 40.800 -0.032 0.000 0.900 86 D HN 0.504 nan 8.370 nan 0.000 0.531 87 R N -0.180 120.297 120.500 -0.039 0.000 3.516 87 R HA -0.164 4.177 4.340 0.000 0.000 0.271 87 R C 0.533 176.810 176.300 -0.038 0.000 1.098 87 R CA 0.899 56.974 56.100 -0.040 0.000 0.732 87 R CB -2.830 27.447 30.300 -0.038 0.000 1.152 87 R HN 0.461 nan 8.270 nan 0.000 0.455 88 S N -0.115 115.562 115.700 -0.038 0.000 2.605 88 S HA -0.001 4.469 4.470 0.000 0.000 0.217 88 S C 0.955 175.531 174.600 -0.040 0.000 0.958 88 S CA 0.152 58.329 58.200 -0.037 0.000 0.919 88 S CB 0.110 63.287 63.200 -0.037 0.000 0.780 88 S HN 0.540 nan 8.310 nan 0.000 0.507 89 N N 1.016 119.690 118.700 -0.043 0.000 2.351 89 N HA 0.199 4.939 4.740 0.000 0.000 0.254 89 N C 0.860 176.343 175.510 -0.045 0.000 1.241 89 N CA -0.379 52.644 53.050 -0.045 0.000 0.883 89 N CB -0.402 38.056 38.487 -0.050 0.000 1.202 89 N HN 0.316 nan 8.380 nan 0.000 0.512 90 L N 0.348 121.547 121.223 -0.041 0.000 2.079 90 L HA -0.123 4.217 4.340 0.000 0.000 0.210 90 L C 0.986 177.836 176.870 -0.034 0.000 1.081 90 L CA 1.364 56.181 54.840 -0.039 0.000 0.752 90 L CB -0.228 41.810 42.059 -0.034 0.000 0.896 90 L HN 0.086 nan 8.230 nan 0.000 0.433 91 D N 0.090 120.472 120.400 -0.030 0.000 2.392 91 D HA -0.084 4.556 4.640 0.000 0.000 0.228 91 D C 1.374 177.658 176.300 -0.026 0.000 1.003 91 D CA 0.755 54.741 54.000 -0.025 0.000 0.917 91 D CB 0.103 40.889 40.800 -0.024 0.000 0.890 91 D HN 0.419 nan 8.370 nan 0.000 0.532 92 R N -0.814 119.665 120.500 -0.034 0.000 2.572 92 R HA 0.217 4.557 4.340 0.000 0.000 0.370 92 R C 0.051 176.324 176.300 -0.046 0.000 1.005 92 R CA -0.254 55.824 56.100 -0.036 0.000 1.146 92 R CB 0.390 30.667 30.300 -0.038 0.000 1.390 92 R HN 0.003 nan 8.270 nan 0.000 0.553 93 C N 0.755 120.026 119.300 -0.048 0.000 2.520 93 C HA 0.809 5.269 4.460 0.000 0.000 0.376 93 C C 1.390 176.353 174.990 -0.044 0.000 1.268 93 C CA 0.319 59.297 59.018 -0.067 0.000 2.414 93 C CB 1.020 28.716 27.740 -0.072 0.000 2.521 93 C HN 0.794 nan 8.230 nan 0.000 0.618 94 G N 0.671 109.427 108.800 -0.073 0.000 2.384 94 G HA2 0.275 4.235 3.960 0.000 0.000 0.150 94 G HA3 0.275 4.235 3.960 0.000 0.000 0.150 94 G C -1.626 173.244 174.900 -0.051 0.000 1.269 94 G CA -0.480 44.648 45.100 0.047 0.000 1.094 94 G HN 0.424 nan 8.290 nan 0.000 0.467 95 F N 1.175 121.085 119.950 -0.068 0.000 2.577 95 F HA 0.780 5.307 4.527 0.000 0.000 0.318 95 F C 0.813 176.573 175.800 -0.067 0.000 1.065 95 F CA -0.738 57.205 58.000 -0.096 0.000 0.929 95 F CB 2.111 41.029 39.000 -0.136 0.000 1.237 95 F HN 0.409 nan 8.300 nan 0.000 0.468 96 R N -0.015 120.525 120.500 0.068 0.000 2.573 96 R HA 0.498 4.838 4.340 0.000 0.000 0.272 96 R C 0.972 177.299 176.300 0.046 0.000 1.009 96 R CA -0.377 55.754 56.100 0.052 0.000 1.059 96 R CB 0.703 30.990 30.300 -0.022 0.000 1.112 96 R HN 0.903 nan 8.270 nan 0.000 0.517 97 G N -0.137 108.708 108.800 0.075 0.000 2.511 97 G HA2 -0.089 3.871 3.960 0.000 0.000 0.217 97 G HA3 -0.089 3.871 3.960 0.000 0.000 0.217 97 G C 0.311 175.252 174.900 0.069 0.000 1.133 97 G CA 0.876 45.984 45.100 0.015 0.000 0.792 97 G HN 0.631 nan 8.290 nan 0.000 0.539 98 S N -1.887 113.905 115.700 0.153 0.000 2.680 98 S HA 0.341 4.811 4.470 0.000 0.000 0.276 98 S C 0.334 175.038 174.600 0.173 0.000 1.189 98 S CA 0.507 58.825 58.200 0.198 0.000 0.909 98 S CB 0.677 64.051 63.200 0.289 0.000 1.227 98 S HN 0.486 nan 8.310 nan 0.000 0.501 99 S N 0.271 116.083 115.700 0.187 0.000 2.583 99 S HA 0.148 4.618 4.470 0.000 0.000 0.239 99 S C 1.262 175.890 174.600 0.047 0.000 0.966 99 S CA 0.167 58.411 58.200 0.074 0.000 0.973 99 S CB -1.270 62.011 63.200 0.135 0.000 0.794 99 S HN 1.016 nan 8.310 nan 0.000 0.463 100 Y N 0.673 120.996 120.300 0.040 0.000 2.465 100 Y HA 0.097 4.647 4.550 0.000 0.000 0.289 100 Y C 1.405 177.317 175.900 0.020 0.000 1.150 100 Y CA 0.218 58.339 58.100 0.035 0.000 1.293 100 Y CB -0.719 37.759 38.460 0.031 0.000 0.977 100 Y HN 0.306 nan 8.280 nan 0.000 0.556 101 L N 0.354 121.201 121.223 -0.626 0.000 2.395 101 L HA 0.155 4.495 4.340 0.000 0.000 0.218 101 L C 1.802 178.582 176.870 -0.150 0.000 1.130 101 L CA 1.020 55.589 54.840 -0.452 0.000 0.826 101 L CB -0.575 41.103 42.059 -0.635 0.000 0.941 101 L HN 0.659 nan 8.230 nan 0.000 0.451 102 G N 0.703 109.449 108.800 -0.089 0.000 2.131 102 G HA2 -0.248 3.712 3.960 0.000 0.000 0.223 102 G HA3 -0.248 3.712 3.960 0.000 0.000 0.223 102 G C 0.185 175.094 174.900 0.016 0.000 0.990 102 G CA -0.347 44.754 45.100 0.002 0.000 0.671 102 G HN 0.249 nan 8.290 nan 0.000 0.521 103 I N 2.741 123.293 120.570 -0.029 0.000 2.496 103 I HA 0.223 4.393 4.170 0.000 0.000 0.285 103 I C -0.853 175.276 176.117 0.020 0.000 1.080 103 I CA -1.742 59.553 61.300 -0.008 0.000 1.404 103 I CB 0.734 38.690 38.000 -0.073 0.000 1.403 103 I HN 0.019 nan 8.210 nan 0.000 0.539 104 P HA -0.085 nan 4.420 nan 0.000 0.262 104 P C -0.398 176.960 177.300 0.096 0.000 1.182 104 P CA -0.098 63.048 63.100 0.078 0.000 0.761 104 P CB 0.301 32.036 31.700 0.059 0.000 0.795 105 F N 3.706 123.659 119.950 0.006 0.000 2.579 105 F HA -0.045 4.482 4.527 0.000 0.000 0.397 105 F C 0.576 176.376 175.800 0.000 0.000 1.027 105 F CA 1.024 59.030 58.000 0.011 0.000 1.217 105 F CB -0.059 38.963 39.000 0.037 0.000 0.986 105 F HN 0.395 nan 8.300 nan 0.000 0.551 106 N N 7.318 125.687 118.700 -0.551 0.000 2.747 106 N HA 0.266 5.006 4.740 0.000 0.000 0.262 106 N C -2.887 172.335 175.510 -0.479 0.000 1.261 106 N CA -1.596 51.230 53.050 -0.373 0.000 0.809 106 N CB 1.256 39.632 38.487 -0.186 0.000 1.450 106 N HN 0.159 nan 8.380 nan 0.000 0.560 107 P HA 0.085 nan 4.420 nan 0.000 0.237 107 P C -0.721 176.475 177.300 -0.173 0.000 1.701 107 P CA 0.193 63.123 63.100 -0.284 0.000 0.955 107 P CB -0.573 31.049 31.700 -0.131 0.000 1.937 108 S N -1.068 114.524 115.700 -0.180 0.000 3.631 108 S HA -0.211 4.260 4.470 0.000 0.000 0.366 108 S C 1.311 175.803 174.600 -0.180 0.000 0.993 108 S CA 1.571 59.667 58.200 -0.173 0.000 1.167 108 S CB -1.637 61.464 63.200 -0.166 0.000 0.909 108 S HN 0.738 nan 8.310 nan 0.000 0.478 109 K N -0.201 120.113 120.400 -0.144 0.000 2.218 109 K HA 0.491 4.811 4.320 0.000 0.000 0.214 109 K C 0.687 177.233 176.600 -0.090 0.000 1.033 109 K CA 1.164 57.385 56.287 -0.110 0.000 0.949 109 K CB -1.127 31.327 32.500 -0.078 0.000 0.993 109 K HN 0.931 nan 8.250 nan 0.000 0.464 110 N N 2.344 120.996 118.700 -0.080 0.000 2.408 110 N HA 0.491 5.231 4.740 0.000 0.000 0.260 110 N C -2.112 173.352 175.510 -0.077 0.000 1.242 110 N CA -1.004 52.006 53.050 -0.066 0.000 0.959 110 N CB -0.024 38.432 38.487 -0.050 0.000 1.201 110 N HN 0.482 nan 8.380 nan 0.000 0.511 111 P HA 0.255 nan 4.420 nan 0.000 0.273 111 P C 0.350 177.606 177.300 -0.073 0.000 1.250 111 P CA -0.024 63.035 63.100 -0.070 0.000 0.793 111 P CB -0.057 31.609 31.700 -0.057 0.000 1.011 112 G N -0.550 108.204 108.800 -0.077 0.000 2.398 112 G HA2 0.442 4.402 3.960 0.000 0.000 0.246 112 G HA3 0.442 4.402 3.960 0.000 0.000 0.246 112 G C 0.266 175.133 174.900 -0.056 0.000 1.289 112 G CA 0.125 45.179 45.100 -0.078 0.000 0.869 112 G HN 0.746 nan 8.290 nan 0.000 0.543 113 T N 0.692 115.216 114.554 -0.049 0.000 2.728 113 T HA 0.687 5.037 4.350 0.000 0.000 0.296 113 T C 0.753 175.449 174.700 -0.006 0.000 0.940 113 T CA 0.150 62.234 62.100 -0.025 0.000 1.013 113 T CB 0.469 69.328 68.868 -0.015 0.000 0.912 113 T HN 1.246 nan 8.240 nan 0.000 0.484 114 A N 3.432 126.246 122.820 -0.011 0.000 2.561 114 A HA 0.485 4.805 4.320 0.000 0.000 0.234 114 A C 0.230 177.840 177.584 0.043 0.000 1.055 114 A CA 0.236 52.272 52.037 -0.003 0.000 0.756 114 A CB -0.093 18.889 19.000 -0.029 0.000 0.986 114 A HN 1.026 nan 8.150 nan 0.000 0.505 115 H N 3.516 122.546 119.070 -0.068 0.000 3.137 115 H HA 0.248 4.804 4.556 0.000 0.000 0.336 115 H C -2.267 173.000 175.328 -0.100 0.000 1.055 115 H CA -1.014 54.999 56.048 -0.059 0.000 1.349 115 H CB 2.005 31.741 29.762 -0.044 0.000 1.939 115 H HN 0.453 nan 8.280 nan 0.000 0.487 116 P HA -0.129 nan 4.420 nan 0.000 0.218 116 P C 0.152 177.184 177.300 -0.448 0.000 1.146 116 P CA 1.356 64.285 63.100 -0.284 0.000 0.813 116 P CB 0.285 31.737 31.700 -0.414 0.000 0.778 117 Y N -1.280 119.237 120.300 0.362 0.000 2.675 117 Y HA 0.309 4.859 4.550 0.000 0.000 0.248 117 Y C 0.251 176.133 175.900 -0.030 0.000 1.161 117 Y CA -1.069 57.115 58.100 0.140 0.000 1.203 117 Y CB 0.063 38.607 38.460 0.139 0.000 1.262 117 Y HN -0.107 nan 8.280 nan 0.000 0.544 118 D N 1.453 121.845 120.400 -0.014 0.000 2.280 118 D HA 0.481 5.121 4.640 0.000 0.000 0.243 118 D C -0.213 176.043 176.300 -0.072 0.000 1.129 118 D CA 0.157 54.057 54.000 -0.166 0.000 0.848 118 D CB 0.715 41.344 40.800 -0.286 0.000 1.107 118 D HN 0.162 nan 8.370 nan 0.000 0.471 119 S N 1.485 117.154 115.700 -0.051 0.000 2.643 119 S HA 0.766 5.236 4.470 0.000 0.000 0.270 119 S C 0.174 174.769 174.600 -0.009 0.000 1.166 119 S CA -0.907 57.273 58.200 -0.032 0.000 0.815 119 S CB 0.837 64.032 63.200 -0.009 0.000 1.139 119 S HN 0.454 nan 8.310 nan 0.000 0.472 120 G N -0.163 108.633 108.800 -0.007 0.000 2.580 120 G HA2 0.504 4.464 3.960 0.000 0.000 0.278 120 G HA3 0.504 4.464 3.960 0.000 0.000 0.278 120 G C -0.849 174.094 174.900 0.071 0.000 1.212 120 G CA -0.285 44.836 45.100 0.035 0.000 0.939 120 G HN 0.849 nan 8.290 nan 0.000 0.513 121 H N 0.690 119.758 119.070 -0.004 0.000 2.744 121 H HA 0.224 4.780 4.556 0.000 0.000 0.339 121 H C 1.029 176.318 175.328 -0.064 0.000 1.004 121 H CA -0.697 55.322 56.048 -0.048 0.000 1.257 121 H CB 1.815 31.564 29.762 -0.022 0.000 1.552 121 H HN 0.383 nan 8.280 nan 0.000 0.522 122 I N 3.982 124.382 120.570 -0.284 0.000 2.236 122 I HA -0.333 3.837 4.170 0.000 0.000 0.249 122 I C 1.904 178.051 176.117 0.050 0.000 1.102 122 I CA 1.933 63.137 61.300 -0.159 0.000 1.365 122 I CB -0.038 37.770 38.000 -0.320 0.000 1.051 122 I HN 0.700 nan 8.210 nan 0.000 0.420 123 A N -0.262 122.711 122.820 0.254 0.000 2.067 123 A HA -0.109 4.211 4.320 0.000 0.000 0.217 123 A C 2.091 179.769 177.584 0.157 0.000 1.156 123 A CA 0.981 53.220 52.037 0.335 0.000 0.683 123 A CB -0.248 19.021 19.000 0.449 0.000 0.808 123 A HN 0.412 nan 8.150 nan 0.000 0.455 124 M N -0.817 118.877 119.600 0.157 0.000 2.334 124 M HA -0.001 4.479 4.480 0.000 0.000 0.266 124 M C 1.989 178.233 176.300 -0.093 0.000 1.082 124 M CA 1.486 56.778 55.300 -0.014 0.000 1.141 124 M CB -1.861 30.762 32.600 0.038 0.000 1.380 124 M HN 0.325 nan 8.290 nan 0.000 0.440 125 T N 0.439 114.998 114.554 0.008 0.000 2.777 125 T HA -0.163 4.187 4.350 0.000 0.000 0.266 125 T C 1.697 176.277 174.700 -0.200 0.000 1.040 125 T CA 1.418 63.487 62.100 -0.052 0.000 1.141 125 T CB -0.461 68.454 68.868 0.078 0.000 0.868 125 T HN 0.350 nan 8.240 nan 0.000 0.444 126 Y N 3.081 123.250 120.300 -0.217 0.000 2.089 126 Y HA -0.208 4.342 4.550 0.000 0.000 0.282 126 Y C 2.703 178.395 175.900 -0.346 0.000 1.139 126 Y CA 1.939 59.882 58.100 -0.263 0.000 1.123 126 Y CB -1.296 37.029 38.460 -0.225 0.000 0.980 126 Y HN 0.297 nan 8.280 nan 0.000 0.493 127 T N -1.981 112.008 114.554 -0.942 0.000 2.881 127 T HA -0.041 4.309 4.350 0.000 0.000 0.270 127 T C 2.207 176.536 174.700 -0.617 0.000 1.068 127 T CA 1.116 62.578 62.100 -1.062 0.000 1.131 127 T CB -1.361 66.998 68.868 -0.849 0.000 0.871 127 T HN 0.445 nan 8.240 nan 0.000 0.479 128 G N 1.951 110.395 108.800 -0.594 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 1.499 175.987 174.900 -0.687 0.000 1.201 128 G CA 0.730 45.396 45.100 -0.723 0.000 0.784 128 G HN 0.506 nan 8.290 nan 0.000 0.545 129 L N 0.577 121.394 121.223 -0.675 0.000 2.042 129 L HA -0.125 4.215 4.340 0.000 0.000 0.210 129 L C 3.109 179.830 176.870 -0.248 0.000 1.076 129 L CA 1.349 55.952 54.840 -0.395 0.000 0.749 129 L CB -0.495 41.423 42.059 -0.234 0.000 0.893 129 L HN 0.334 nan 8.230 nan 0.000 0.432 130 S N -0.956 114.580 115.700 -0.274 0.000 2.370 130 S HA -0.227 4.243 4.470 0.000 0.000 0.226 130 S C 2.172 176.723 174.600 -0.082 0.000 1.033 130 S CA 1.628 59.732 58.200 -0.161 0.000 1.011 130 S CB -0.300 62.702 63.200 -0.329 0.000 0.852 130 S HN 0.506 nan 8.310 nan 0.000 0.457 131 C N 1.019 120.244 119.300 -0.126 0.000 2.446 131 C HA 0.060 4.520 4.460 0.000 0.000 0.277 131 C C 2.516 177.447 174.990 -0.098 0.000 1.275 131 C CA 0.563 59.531 59.018 -0.083 0.000 1.727 131 C CB -1.557 26.128 27.740 -0.092 0.000 2.010 131 C HN 0.582 nan 8.230 nan 0.000 0.486 132 L N 0.391 121.522 121.223 -0.154 0.000 2.042 132 L HA -0.195 4.145 4.340 0.000 0.000 0.210 132 L C 2.379 179.221 176.870 -0.047 0.000 1.076 132 L CA 1.667 56.436 54.840 -0.118 0.000 0.749 132 L CB -0.550 41.399 42.059 -0.184 0.000 0.893 132 L HN 0.365 nan 8.230 nan 0.000 0.432 133 I N -0.317 120.223 120.570 -0.050 0.000 2.226 133 I HA -0.306 3.864 4.170 0.000 0.000 0.245 133 I C 2.404 178.504 176.117 -0.028 0.000 1.100 133 I CA 1.405 62.686 61.300 -0.032 0.000 1.374 133 I CB -0.207 37.770 38.000 -0.038 0.000 1.057 133 I HN 0.190 nan 8.210 nan 0.000 0.413 134 I N 0.499 121.049 120.570 -0.034 0.000 2.286 134 I HA -0.275 3.895 4.170 0.000 0.000 0.248 134 I C 2.126 178.222 176.117 -0.036 0.000 1.115 134 I CA 1.427 62.703 61.300 -0.040 0.000 1.392 134 I CB -0.210 37.748 38.000 -0.070 0.000 1.065 134 I HN 0.223 nan 8.210 nan 0.000 0.418 135 L N 0.255 121.461 121.223 -0.028 0.000 2.599 135 L HA 0.114 4.454 4.340 0.000 0.000 0.230 135 L C 1.641 178.516 176.870 0.009 0.000 1.141 135 L CA 0.692 55.527 54.840 -0.010 0.000 0.877 135 L CB -0.315 41.745 42.059 0.002 0.000 1.009 135 L HN 0.526 nan 8.230 nan 0.000 0.447 136 G N -0.640 108.164 108.800 0.007 0.000 2.194 136 G HA2 -0.263 3.697 3.960 0.000 0.000 0.236 136 G HA3 -0.263 3.697 3.960 0.000 0.000 0.236 136 G C 0.253 175.177 174.900 0.041 0.000 0.987 136 G CA 0.111 45.221 45.100 0.017 0.000 0.635 136 G HN 0.376 nan 8.290 nan 0.000 0.520 137 D N 1.010 121.447 120.400 0.062 0.000 2.378 137 D HA 0.267 4.907 4.640 0.000 0.000 0.238 137 D C 1.163 177.532 176.300 0.115 0.000 1.180 137 D CA 0.801 54.870 54.000 0.115 0.000 0.895 137 D CB 0.659 41.560 40.800 0.168 0.000 1.192 137 D HN 0.362 nan 8.370 nan 0.000 0.438 138 D N 0.655 121.151 120.400 0.160 0.000 2.363 138 D HA 0.044 4.684 4.640 0.000 0.000 0.214 138 D C 0.960 177.449 176.300 0.314 0.000 1.093 138 D CA -0.303 53.812 54.000 0.192 0.000 0.837 138 D CB -0.024 40.885 40.800 0.182 0.000 0.948 138 D HN 0.237 nan 8.370 nan 0.000 0.507 139 L N 0.299 121.707 121.223 0.309 0.000 4.429 139 L HA -0.289 4.051 4.340 0.000 0.000 0.422 139 L C 1.725 178.762 176.870 0.277 0.000 1.149 139 L CA 1.038 56.092 54.840 0.357 0.000 0.972 139 L CB -2.957 39.354 42.059 0.420 0.000 2.059 139 L HN 0.341 nan 8.230 nan 0.000 0.870 140 S N -1.250 114.571 115.700 0.203 0.000 2.423 140 S HA -0.102 4.368 4.470 0.000 0.000 0.231 140 S C 1.644 176.244 174.600 0.001 0.000 1.014 140 S CA 1.190 59.434 58.200 0.073 0.000 0.965 140 S CB -0.216 63.014 63.200 0.049 0.000 0.785 140 S HN 0.672 nan 8.310 nan 0.000 0.495 141 R N 0.718 121.206 120.500 -0.021 0.000 2.317 141 R HA 0.319 4.659 4.340 0.000 0.000 0.208 141 R C -0.542 175.788 176.300 0.050 0.000 0.914 141 R CA -0.070 55.915 56.100 -0.191 0.000 1.060 141 R CB 0.126 29.945 30.300 -0.800 0.000 1.015 141 R HN 0.251 nan 8.270 nan 0.000 0.498 142 V N 2.047 122.094 119.914 0.221 0.000 2.461 142 V HA 0.011 4.131 4.120 0.000 0.000 0.275 142 V C 0.217 176.351 176.094 0.067 0.000 1.047 142 V CA -0.566 61.879 62.300 0.243 0.000 0.955 142 V CB 1.381 33.376 31.823 0.287 0.000 0.988 142 V HN 0.080 nan 8.190 nan 0.000 0.471 143 D N 4.589 125.003 120.400 0.023 0.000 2.551 143 D HA 0.101 4.741 4.640 0.000 0.000 0.223 143 D C 1.284 177.569 176.300 -0.026 0.000 1.144 143 D CA 0.051 54.031 54.000 -0.032 0.000 1.025 143 D CB 0.375 41.141 40.800 -0.057 0.000 1.085 143 D HN 0.500 nan 8.370 nan 0.000 0.506 144 K N 1.082 121.455 120.400 -0.045 0.000 2.077 144 K HA -0.204 4.117 4.320 0.000 0.000 0.213 144 K C 1.545 178.114 176.600 -0.052 0.000 1.051 144 K CA 1.195 57.449 56.287 -0.054 0.000 0.929 144 K CB 0.256 32.676 32.500 -0.133 0.000 0.715 144 K HN 0.329 nan 8.250 nan 0.000 0.451 145 E N 0.118 120.280 120.200 -0.064 0.000 2.110 145 E HA -0.162 4.188 4.350 0.000 0.000 0.193 145 E C 2.004 178.581 176.600 -0.039 0.000 0.988 145 E CA 1.191 57.560 56.400 -0.052 0.000 0.804 145 E CB -0.205 29.461 29.700 -0.057 0.000 0.745 145 E HN 0.358 nan 8.360 nan 0.000 0.458 146 A N 0.746 123.541 122.820 -0.041 0.000 1.898 146 A HA -0.168 4.152 4.320 0.000 0.000 0.216 146 A C 2.633 180.201 177.584 -0.026 0.000 1.181 146 A CA 1.331 53.344 52.037 -0.039 0.000 0.620 146 A CB -0.876 18.092 19.000 -0.054 0.000 0.819 146 A HN 0.335 nan 8.150 nan 0.000 0.442 147 C N -0.687 118.607 119.300 -0.011 0.000 2.432 147 C HA -0.057 4.403 4.460 0.000 0.000 0.277 147 C C 2.633 177.623 174.990 0.000 0.000 1.249 147 C CA 1.032 60.058 59.018 0.014 0.000 1.725 147 C CB -1.498 26.276 27.740 0.057 0.000 2.028 147 C HN 0.625 nan 8.230 nan 0.000 0.477 148 L N 0.947 122.162 121.223 -0.012 0.000 2.131 148 L HA -0.136 4.204 4.340 0.000 0.000 0.210 148 L C 2.835 179.707 176.870 0.003 0.000 1.092 148 L CA 1.464 56.296 54.840 -0.013 0.000 0.759 148 L CB -0.719 41.325 42.059 -0.024 0.000 0.903 148 L HN 0.348 nan 8.230 nan 0.000 0.435 149 A N 0.317 123.134 122.820 -0.005 0.000 1.898 149 A HA -0.076 4.244 4.320 0.000 0.000 0.216 149 A C 2.415 180.000 177.584 0.003 0.000 1.181 149 A CA 1.569 53.604 52.037 -0.003 0.000 0.620 149 A CB -1.117 17.874 19.000 -0.016 0.000 0.819 149 A HN 0.416 nan 8.150 nan 0.000 0.442 150 G N -0.419 108.380 108.800 -0.002 0.000 2.402 150 G HA2 -0.152 3.808 3.960 0.000 0.000 0.216 150 G HA3 -0.152 3.808 3.960 0.000 0.000 0.216 150 G C 1.579 176.492 174.900 0.022 0.000 1.162 150 G CA 0.884 45.984 45.100 0.000 0.000 0.777 150 G HN 0.400 nan 8.290 nan 0.000 0.539 151 L N -0.088 121.155 121.223 0.033 0.000 1.994 151 L HA -0.076 4.264 4.340 0.000 0.000 0.208 151 L C 3.241 180.214 176.870 0.172 0.000 1.071 151 L CA 1.282 56.169 54.840 0.077 0.000 0.745 151 L CB -0.266 41.811 42.059 0.030 0.000 0.892 151 L HN 0.204 nan 8.230 nan 0.000 0.431 152 R N -0.464 120.105 120.500 0.115 0.000 2.117 152 R HA -0.203 4.137 4.340 0.000 0.000 0.243 152 R C 2.148 178.473 176.300 0.040 0.000 1.143 152 R CA 1.427 57.585 56.100 0.095 0.000 0.968 152 R CB -0.502 29.828 30.300 0.050 0.000 0.863 152 R HN 0.439 nan 8.270 nan 0.000 0.444 153 A N 0.776 123.612 122.820 0.027 0.000 2.121 153 A HA -0.069 4.251 4.320 0.000 0.000 0.218 153 A C 1.988 179.564 177.584 -0.012 0.000 1.154 153 A CA 0.973 53.008 52.037 -0.003 0.000 0.679 153 A CB -0.273 18.723 19.000 -0.007 0.000 0.795 153 A HN 0.196 nan 8.150 nan 0.000 0.458 154 L N -1.065 120.179 121.223 0.034 0.000 2.446 154 L HA 0.049 4.389 4.340 0.000 0.000 0.219 154 L C 1.392 178.203 176.870 -0.099 0.000 1.116 154 L CA 0.011 54.875 54.840 0.040 0.000 0.844 154 L CB -0.191 41.965 42.059 0.161 0.000 0.970 154 L HN 0.492 nan 8.230 nan 0.000 0.457 155 Q N 1.431 121.035 119.800 -0.327 0.000 2.314 155 Q HA 0.309 4.649 4.340 0.000 0.000 0.258 155 Q C -0.582 175.168 176.000 -0.416 0.000 0.954 155 Q CA -0.085 55.228 55.803 -0.816 0.000 0.890 155 Q CB 0.903 29.047 28.738 -0.989 0.000 1.210 155 Q HN 0.237 nan 8.270 nan 0.000 0.410 156 L N 2.450 123.436 121.223 -0.394 0.000 2.416 156 L HA 0.318 4.658 4.340 0.000 0.000 0.263 156 L C 1.801 178.564 176.870 -0.178 0.000 1.065 156 L CA 0.030 54.740 54.840 -0.217 0.000 0.798 156 L CB 0.441 42.402 42.059 -0.163 0.000 1.267 156 L HN 0.894 nan 8.230 nan 0.000 0.467 157 E N 0.746 120.884 120.200 -0.102 0.000 2.118 157 E HA -0.260 4.090 4.350 0.000 0.000 0.195 157 E C 1.296 177.868 176.600 -0.047 0.000 0.992 157 E CA 1.672 58.033 56.400 -0.065 0.000 0.804 157 E CB -0.846 28.833 29.700 -0.035 0.000 0.741 157 E HN 0.881 nan 8.360 nan 0.000 0.458 158 D N -2.022 118.359 120.400 -0.032 0.000 2.363 158 D HA 0.235 4.875 4.640 0.000 0.000 0.226 158 D C 1.497 177.828 176.300 0.051 0.000 1.020 158 D CA 1.223 55.250 54.000 0.045 0.000 0.892 158 D CB 0.029 40.907 40.800 0.130 0.000 0.900 158 D HN 0.849 nan 8.370 nan 0.000 0.531 159 G N -0.234 108.507 108.800 -0.097 0.000 2.254 159 G HA2 -0.289 3.671 3.960 0.000 0.000 0.225 159 G HA3 -0.289 3.671 3.960 0.000 0.000 0.225 159 G C 0.570 175.281 174.900 -0.316 0.000 1.003 159 G CA 0.405 45.431 45.100 -0.123 0.000 0.622 159 G HN 0.827 nan 8.290 nan 0.000 0.507 160 S N -0.105 115.250 115.700 -0.575 0.000 2.640 160 S HA 0.806 5.276 4.470 0.000 0.000 0.262 160 S C -0.124 174.227 174.600 -0.415 0.000 1.232 160 S CA -0.217 57.590 58.200 -0.655 0.000 0.988 160 S CB 1.180 63.680 63.200 -1.168 0.000 1.034 160 S HN 0.575 nan 8.310 nan 0.000 0.569 161 F N -1.437 118.429 119.950 -0.140 0.000 2.593 161 F HA 0.603 5.130 4.527 0.000 0.000 0.320 161 F C 0.289 176.145 175.800 0.093 0.000 1.060 161 F CA -0.999 56.993 58.000 -0.013 0.000 0.940 161 F CB 1.536 40.554 39.000 0.029 0.000 1.268 161 F HN 0.665 nan 8.300 nan 0.000 0.475 162 C N 0.447 119.856 119.300 0.181 0.000 2.407 162 C HA 0.703 5.163 4.460 0.000 0.000 0.366 162 C C 1.424 176.225 174.990 -0.315 0.000 1.213 162 C CA -0.078 58.965 59.018 0.041 0.000 2.011 162 C CB 1.388 29.118 27.740 -0.016 0.000 2.306 162 C HN 0.970 nan 8.230 nan 0.000 0.527 163 A N 0.520 122.924 122.820 -0.693 0.000 1.984 163 A HA 0.375 4.695 4.320 0.000 0.000 0.214 163 A C 0.595 177.770 177.584 -0.682 0.000 1.173 163 A CA 1.190 52.537 52.037 -1.149 0.000 0.673 163 A CB -0.158 17.889 19.000 -1.588 0.000 0.830 163 A HN 1.293 nan 8.150 nan 0.000 0.453 164 V N -5.507 114.193 119.914 -0.357 0.000 2.925 164 V HA 0.530 4.650 4.120 0.000 0.000 0.311 164 V C -2.726 173.319 176.094 -0.081 0.000 1.104 164 V CA -1.866 60.331 62.300 -0.172 0.000 0.954 164 V CB 1.580 33.361 31.823 -0.070 0.000 1.022 164 V HN 0.044 nan 8.190 nan 0.000 0.427 165 P HA -0.047 nan 4.420 nan 0.000 0.219 165 P C 1.010 178.309 177.300 -0.002 0.000 1.146 165 P CA 1.278 64.364 63.100 -0.022 0.000 0.808 165 P CB 0.265 31.955 31.700 -0.018 0.000 0.779 166 E N -0.825 119.386 120.200 0.020 0.000 2.418 166 E HA 0.235 4.585 4.350 0.000 0.000 0.197 166 E C 0.998 177.621 176.600 0.038 0.000 1.026 166 E CA 0.775 57.203 56.400 0.047 0.000 0.862 166 E CB -0.533 29.224 29.700 0.096 0.000 0.799 166 E HN 0.198 nan 8.360 nan 0.000 0.518 167 G N -0.414 108.397 108.800 0.018 0.000 2.640 167 G HA2 0.222 4.182 3.960 0.000 0.000 0.686 167 G HA3 0.222 4.182 3.960 0.000 0.000 0.686 167 G C -0.291 174.626 174.900 0.029 0.000 1.229 167 G CA -0.477 44.635 45.100 0.019 0.000 0.796 167 G HN 0.595 nan 8.290 nan 0.000 0.654 168 S N -0.437 115.287 115.700 0.039 0.000 2.669 168 S HA 0.755 5.225 4.470 0.000 0.000 0.266 168 S C -0.422 174.246 174.600 0.112 0.000 1.149 168 S CA 0.116 58.361 58.200 0.076 0.000 0.842 168 S CB 1.449 64.684 63.200 0.059 0.000 1.160 168 S HN 2.031 nan 8.310 nan 0.000 0.487 169 E N 1.352 121.653 120.200 0.167 0.000 2.392 169 E HA 0.314 4.664 4.350 0.000 0.000 0.256 169 E C -0.841 175.903 176.600 0.239 0.000 1.145 169 E CA -0.444 56.053 56.400 0.163 0.000 0.929 169 E CB 0.126 29.911 29.700 0.142 0.000 0.998 169 E HN 0.754 nan 8.360 nan 0.000 0.442 170 N N 0.631 119.426 118.700 0.159 0.000 2.249 170 N HA 0.381 5.121 4.740 0.000 0.000 0.296 170 N C -1.374 174.173 175.510 0.062 0.000 1.051 170 N CA -0.520 52.631 53.050 0.168 0.000 0.815 170 N CB 2.121 40.656 38.487 0.079 0.000 1.487 170 N HN 0.628 nan 8.380 nan 0.000 0.475 171 D N -0.056 120.342 120.400 -0.003 0.000 2.865 171 D HA 0.122 4.762 4.640 0.000 0.000 0.343 171 D C 0.580 176.872 176.300 -0.014 0.000 1.372 171 D CA -0.649 53.347 54.000 -0.007 0.000 0.862 171 D CB 0.432 41.193 40.800 -0.065 0.000 1.425 171 D HN 0.212 nan 8.370 nan 0.000 0.501 172 M N 0.010 119.669 119.600 0.098 0.000 2.202 172 M HA 0.072 4.552 4.480 0.000 0.000 0.262 172 M C 1.830 178.136 176.300 0.009 0.000 1.063 172 M CA 1.736 57.109 55.300 0.122 0.000 1.097 172 M CB -0.378 32.283 32.600 0.101 0.000 1.382 172 M HN 0.451 nan 8.290 nan 0.000 0.413 173 R N -1.287 119.109 120.500 -0.173 0.000 2.096 173 R HA -0.167 4.173 4.340 0.000 0.000 0.240 173 R C 2.036 178.333 176.300 -0.006 0.000 1.139 173 R CA 2.047 58.035 56.100 -0.186 0.000 0.952 173 R CB -0.689 29.327 30.300 -0.473 0.000 0.854 173 R HN 0.427 nan 8.270 nan 0.000 0.436 174 F N -0.411 119.586 119.950 0.079 0.000 2.558 174 F HA -0.074 4.453 4.527 0.000 0.000 0.298 174 F C 2.209 177.952 175.800 -0.095 0.000 1.119 174 F CA -0.145 57.862 58.000 0.012 0.000 1.451 174 F CB 0.041 39.069 39.000 0.046 0.000 1.091 174 F HN -0.169 nan 8.300 nan 0.000 0.563 175 V N -0.418 119.588 119.914 0.153 0.000 2.427 175 V HA -0.316 3.804 4.120 0.000 0.000 0.248 175 V C 2.028 178.118 176.094 -0.006 0.000 1.051 175 V CA 1.706 64.059 62.300 0.088 0.000 1.048 175 V CB -0.745 31.208 31.823 0.216 0.000 0.666 175 V HN 0.389 nan 8.190 nan 0.000 0.456 176 Y N 0.257 120.522 120.300 -0.059 0.000 2.200 176 Y HA -0.247 4.303 4.550 0.000 0.000 0.290 176 Y C 2.518 178.278 175.900 -0.233 0.000 1.137 176 Y CA 1.582 59.618 58.100 -0.107 0.000 1.163 176 Y CB -0.707 37.726 38.460 -0.045 0.000 0.988 176 Y HN 0.236 nan 8.280 nan 0.000 0.518 177 C N 0.367 119.483 119.300 -0.306 0.000 2.429 177 C HA -0.121 4.339 4.460 0.000 0.000 0.277 177 C C 3.081 177.778 174.990 -0.488 0.000 1.262 177 C CA 1.234 59.962 59.018 -0.484 0.000 1.733 177 C CB -1.743 25.945 27.740 -0.086 0.000 2.010 177 C HN 0.735 nan 8.230 nan 0.000 0.483 178 A N 0.437 122.949 122.820 -0.514 0.000 1.908 178 A HA -0.176 4.144 4.320 0.000 0.000 0.218 178 A C 2.262 179.585 177.584 -0.435 0.000 1.181 178 A CA 2.398 54.054 52.037 -0.634 0.000 0.627 178 A CB -0.851 17.319 19.000 -1.384 0.000 0.818 178 A HN 0.564 nan 8.150 nan 0.000 0.445 179 S N -0.913 114.589 115.700 -0.329 0.000 2.356 179 S HA -0.208 4.262 4.470 0.000 0.000 0.223 179 S C 1.949 176.360 174.600 -0.314 0.000 1.032 179 S CA 1.459 59.571 58.200 -0.147 0.000 1.005 179 S CB -0.733 62.489 63.200 0.036 0.000 0.867 179 S HN 0.716 nan 8.310 nan 0.000 0.449 180 C N 1.280 120.278 119.300 -0.504 0.000 2.425 180 C HA 0.022 4.482 4.460 0.000 0.000 0.277 180 C C 2.441 177.295 174.990 -0.226 0.000 1.280 180 C CA 0.254 59.010 59.018 -0.436 0.000 1.744 180 C CB -1.373 25.881 27.740 -0.810 0.000 1.989 180 C HN 0.548 nan 8.230 nan 0.000 0.491 181 I N -0.048 120.361 120.570 -0.268 0.000 2.179 181 I HA -0.233 3.937 4.170 0.000 0.000 0.242 181 I C 2.597 178.560 176.117 -0.256 0.000 1.088 181 I CA 1.437 62.629 61.300 -0.181 0.000 1.357 181 I CB -0.568 37.328 38.000 -0.172 0.000 1.051 181 I HN 0.355 nan 8.210 nan 0.000 0.409 182 C N -0.158 118.862 119.300 -0.467 0.000 2.413 182 C HA -0.237 4.223 4.460 0.000 0.000 0.276 182 C C 2.815 177.301 174.990 -0.840 0.000 1.248 182 C CA 0.801 59.349 59.018 -0.785 0.000 1.742 182 C CB -1.025 25.904 27.740 -1.351 0.000 2.017 182 C HN 0.511 nan 8.230 nan 0.000 0.481 183 Y N 0.958 120.790 120.300 -0.780 0.000 2.145 183 Y HA -0.197 4.353 4.550 0.000 0.000 0.286 183 Y C 2.495 178.359 175.900 -0.060 0.000 1.145 183 Y CA 1.801 59.716 58.100 -0.309 0.000 1.148 183 Y CB -0.363 38.062 38.460 -0.060 0.000 0.981 183 Y HN 0.242 nan 8.280 nan 0.000 0.507 184 M N -0.594 119.085 119.600 0.133 0.000 2.175 184 M HA -0.187 4.293 4.480 0.000 0.000 0.264 184 M C 1.687 178.126 176.300 0.232 0.000 1.063 184 M CA 1.435 56.843 55.300 0.180 0.000 1.119 184 M CB -0.264 32.410 32.600 0.123 0.000 1.377 184 M HN 0.256 nan 8.290 nan 0.000 0.415 185 L N -0.078 121.207 121.223 0.104 0.000 2.599 185 L HA 0.026 4.366 4.340 0.000 0.000 0.230 185 L C 0.401 177.337 176.870 0.109 0.000 1.141 185 L CA -0.178 54.784 54.840 0.203 0.000 0.877 185 L CB -0.928 41.155 42.059 0.040 0.000 1.009 185 L HN 0.434 nan 8.230 nan 0.000 0.447 186 N N 2.084 120.696 118.700 -0.146 0.000 2.707 186 N HA -0.269 4.471 4.740 0.000 0.000 0.253 186 N C -0.449 174.953 175.510 -0.180 0.000 0.998 186 N CA 0.429 53.260 53.050 -0.365 0.000 0.751 186 N CB -0.826 37.179 38.487 -0.804 0.000 0.920 186 N HN 0.461 nan 8.380 nan 0.000 0.539 187 N N -0.033 118.520 118.700 -0.244 0.000 2.616 187 N HA 0.165 4.905 4.740 0.000 0.000 0.281 187 N C -0.864 174.508 175.510 -0.229 0.000 1.145 187 N CA -0.557 52.419 53.050 -0.124 0.000 0.919 187 N CB 0.083 38.525 38.487 -0.076 0.000 1.509 187 N HN 0.277 nan 8.380 nan 0.000 0.537 188 W N 2.030 123.333 121.300 0.006 0.000 3.400 188 W HA 0.159 4.819 4.660 0.000 0.000 0.347 188 W C 1.817 178.353 176.519 0.029 0.000 1.218 188 W CA -0.140 57.219 57.345 0.023 0.000 1.837 188 W CB 0.121 29.598 29.460 0.028 0.000 1.067 188 W HN 0.651 nan 8.180 nan 0.000 0.701 189 S N -1.389 114.393 115.700 0.138 0.000 2.607 189 S HA 0.020 4.490 4.470 0.000 0.000 0.224 189 S C 1.922 176.573 174.600 0.085 0.000 0.969 189 S CA 0.782 59.044 58.200 0.103 0.000 0.927 189 S CB -0.335 62.898 63.200 0.054 0.000 0.772 189 S HN 0.257 nan 8.310 nan 0.000 0.533 190 G N 1.362 110.201 108.800 0.064 0.000 2.598 190 G HA2 0.325 4.285 3.960 0.000 0.000 0.215 190 G HA3 0.325 4.285 3.960 0.000 0.000 0.215 190 G C 0.367 175.363 174.900 0.160 0.000 1.131 190 G CA 0.543 45.679 45.100 0.059 0.000 0.785 190 G HN 0.742 nan 8.290 nan 0.000 0.539 191 M N -2.325 117.406 119.600 0.219 0.000 2.644 191 M HA 0.501 4.981 4.480 0.000 0.000 0.273 191 M C -2.147 174.286 176.300 0.222 0.000 1.253 191 M CA -1.044 54.440 55.300 0.306 0.000 0.852 191 M CB 2.090 34.982 32.600 0.487 0.000 1.708 191 M HN -0.185 nan 8.290 nan 0.000 0.471 192 D N 1.946 122.442 120.400 0.160 0.000 2.500 192 D HA 0.265 4.905 4.640 0.000 0.000 0.219 192 D C 0.616 176.983 176.300 0.113 0.000 1.137 192 D CA -0.173 53.883 54.000 0.094 0.000 0.946 192 D CB 0.878 41.696 40.800 0.028 0.000 1.022 192 D HN 0.845 nan 8.370 nan 0.000 0.518 193 M N 2.678 122.355 119.600 0.127 0.000 2.144 193 M HA -0.261 4.220 4.480 0.000 0.000 0.260 193 M C 2.010 178.334 176.300 0.040 0.000 1.067 193 M CA 1.486 56.842 55.300 0.093 0.000 1.095 193 M CB 0.188 32.796 32.600 0.014 0.000 1.365 193 M HN 0.196 nan 8.290 nan 0.000 0.406 194 K N 0.504 120.917 120.400 0.021 0.000 2.026 194 K HA -0.163 4.157 4.320 0.000 0.000 0.208 194 K C 1.729 178.338 176.600 0.015 0.000 1.048 194 K CA 1.957 58.245 56.287 0.001 0.000 0.929 194 K CB -0.431 32.067 32.500 -0.004 0.000 0.713 194 K HN 0.612 nan 8.250 nan 0.000 0.439 195 K N -0.347 120.069 120.400 0.026 0.000 2.097 195 K HA 0.055 4.375 4.320 0.000 0.000 0.205 195 K C 2.426 179.070 176.600 0.073 0.000 1.050 195 K CA 1.113 57.419 56.287 0.030 0.000 0.938 195 K CB -0.333 32.164 32.500 -0.003 0.000 0.718 195 K HN 0.377 nan 8.250 nan 0.000 0.442 196 A N 1.671 124.551 122.820 0.101 0.000 1.902 196 A HA -0.134 4.186 4.320 0.000 0.000 0.217 196 A C 2.104 179.783 177.584 0.158 0.000 1.181 196 A CA 1.203 53.345 52.037 0.175 0.000 0.623 196 A CB -0.556 18.594 19.000 0.250 0.000 0.818 196 A HN 0.157 nan 8.150 nan 0.000 0.443 197 I N -0.518 120.096 120.570 0.074 0.000 2.286 197 I HA -0.223 3.947 4.170 0.000 0.000 0.248 197 I C 2.836 178.949 176.117 -0.006 0.000 1.115 197 I CA 1.485 62.786 61.300 0.002 0.000 1.392 197 I CB -0.236 37.727 38.000 -0.061 0.000 1.065 197 I HN 0.442 nan 8.210 nan 0.000 0.418 198 S N 0.212 115.926 115.700 0.025 0.000 2.368 198 S HA -0.272 4.198 4.470 0.000 0.000 0.225 198 S C 2.184 176.812 174.600 0.047 0.000 1.030 198 S CA 1.359 59.569 58.200 0.018 0.000 0.999 198 S CB -0.437 62.782 63.200 0.031 0.000 0.844 198 S HN 0.494 nan 8.310 nan 0.000 0.459 199 Y N 1.818 122.117 120.300 -0.002 0.000 2.145 199 Y HA -0.042 4.508 4.550 0.000 0.000 0.286 199 Y C 1.947 177.858 175.900 0.019 0.000 1.145 199 Y CA 1.820 59.928 58.100 0.013 0.000 1.148 199 Y CB -0.389 38.091 38.460 0.034 0.000 0.981 199 Y HN 0.302 nan 8.280 nan 0.000 0.507 200 I N -0.273 120.359 120.570 0.103 0.000 2.226 200 I HA -0.336 3.834 4.170 0.000 0.000 0.245 200 I C 2.566 178.681 176.117 -0.002 0.000 1.100 200 I CA 1.430 62.756 61.300 0.044 0.000 1.374 200 I CB -0.457 37.594 38.000 0.085 0.000 1.057 200 I HN 0.175 nan 8.210 nan 0.000 0.413 201 R N 0.730 121.204 120.500 -0.043 0.000 2.073 201 R HA -0.126 4.215 4.340 0.000 0.000 0.234 201 R C 2.398 178.693 176.300 -0.008 0.000 1.134 201 R CA 1.364 57.458 56.100 -0.010 0.000 0.952 201 R CB -0.315 29.929 30.300 -0.093 0.000 0.850 201 R HN 0.353 nan 8.270 nan 0.000 0.433 202 R N 0.453 120.898 120.500 -0.091 0.000 2.241 202 R HA -0.067 4.273 4.340 0.000 0.000 0.224 202 R C 2.163 178.357 176.300 -0.176 0.000 1.101 202 R CA 1.422 57.448 56.100 -0.123 0.000 0.995 202 R CB -0.132 30.082 30.300 -0.144 0.000 0.870 202 R HN 0.263 nan 8.270 nan 0.000 0.463 203 S N -0.024 115.538 115.700 -0.230 0.000 2.562 203 S HA -0.018 4.452 4.470 0.000 0.000 0.221 203 S C 0.931 175.431 174.600 -0.167 0.000 0.975 203 S CA -0.203 57.854 58.200 -0.238 0.000 0.918 203 S CB -0.050 62.980 63.200 -0.282 0.000 0.772 203 S HN 0.200 nan 8.310 nan 0.000 0.531 204 M N 3.081 122.614 119.600 -0.112 0.000 2.246 204 M HA 0.230 4.710 4.480 0.000 0.000 0.350 204 M C 0.343 176.550 176.300 -0.156 0.000 1.406 204 M CA 0.006 55.218 55.300 -0.146 0.000 1.089 204 M CB 0.747 33.302 32.600 -0.076 0.000 1.782 204 M HN 0.311 nan 8.290 nan 0.000 0.457 205 S N 3.518 119.068 115.700 -0.249 0.000 2.681 205 S HA 0.191 4.661 4.470 0.000 0.000 0.270 205 S C 0.734 175.204 174.600 -0.217 0.000 1.209 205 S CA -0.438 57.612 58.200 -0.250 0.000 0.988 205 S CB 0.497 63.447 63.200 -0.416 0.000 1.006 205 S HN 0.748 nan 8.310 nan 0.000 0.558 206 Y N 0.752 121.015 120.300 -0.062 0.000 2.421 206 Y HA 0.063 4.613 4.550 0.000 0.000 0.292 206 Y C 1.490 177.378 175.900 -0.019 0.000 1.136 206 Y CA 1.291 59.371 58.100 -0.034 0.000 1.255 206 Y CB -0.749 37.701 38.460 -0.016 0.000 0.991 206 Y HN 0.638 nan 8.280 nan 0.000 0.552 207 D N -1.049 118.937 120.400 -0.691 0.000 2.340 207 D HA -0.050 4.590 4.640 0.000 0.000 0.220 207 D C 0.235 176.441 176.300 -0.156 0.000 1.039 207 D CA 0.468 54.283 54.000 -0.308 0.000 0.866 207 D CB -0.634 39.976 40.800 -0.317 0.000 0.913 207 D HN 0.469 nan 8.370 nan 0.000 0.523 208 N N -1.083 117.452 118.700 -0.274 0.000 2.984 208 N HA -0.097 4.644 4.740 0.000 0.000 0.227 208 N C 0.713 175.908 175.510 -0.525 0.000 0.903 208 N CA 1.129 54.012 53.050 -0.278 0.000 0.995 208 N CB -1.517 36.911 38.487 -0.099 0.000 1.065 208 N HN 0.485 nan 8.380 nan 0.000 0.585 209 G N 0.095 108.278 108.800 -1.029 0.000 2.543 209 G HA2 0.591 4.551 3.960 0.000 0.000 0.290 209 G HA3 0.591 4.551 3.960 0.000 0.000 0.290 209 G C -0.296 174.098 174.900 -0.842 0.000 1.310 209 G CA -0.330 43.840 45.100 -1.550 0.000 1.025 209 G HN 0.029 nan 8.290 nan 0.000 0.502 210 L N 0.252 121.056 121.223 -0.699 0.000 2.322 210 L HA 0.689 5.029 4.340 0.000 0.000 0.281 210 L C 0.751 177.442 176.870 -0.298 0.000 1.014 210 L CA -0.571 54.045 54.840 -0.374 0.000 0.815 210 L CB 1.202 43.124 42.059 -0.228 0.000 1.247 210 L HN 0.716 nan 8.230 nan 0.000 0.421 211 A N 2.156 124.845 122.820 -0.218 0.000 2.263 211 A HA 0.512 4.832 4.320 0.000 0.000 0.318 211 A C 0.745 178.267 177.584 -0.103 0.000 1.111 211 A CA -0.318 51.634 52.037 -0.143 0.000 0.901 211 A CB 0.592 19.515 19.000 -0.128 0.000 1.280 211 A HN 0.692 nan 8.150 nan 0.000 0.503 212 Q N -0.661 119.091 119.800 -0.079 0.000 2.291 212 Q HA 0.121 4.461 4.340 0.000 0.000 0.205 212 Q C 0.696 176.713 176.000 0.028 0.000 0.970 212 Q CA 1.257 57.035 55.803 -0.042 0.000 0.876 212 Q CB 0.079 28.773 28.738 -0.073 0.000 0.935 212 Q HN 0.899 nan 8.270 nan 0.000 0.455 213 G N -1.246 107.523 108.800 -0.051 0.000 2.576 213 G HA2 0.506 4.466 3.960 0.000 0.000 0.290 213 G HA3 0.506 4.466 3.960 0.000 0.000 0.290 213 G C -1.531 173.278 174.900 -0.152 0.000 1.442 213 G CA -0.393 44.642 45.100 -0.109 0.000 0.792 213 G HN 0.123 nan 8.290 nan 0.000 0.491 214 A N -0.700 122.001 122.820 -0.198 0.000 2.567 214 A HA 0.516 4.836 4.320 0.000 0.000 0.240 214 A C 1.787 179.337 177.584 -0.057 0.000 1.053 214 A CA 1.840 53.799 52.037 -0.129 0.000 0.755 214 A CB -0.340 18.593 19.000 -0.111 0.000 0.978 214 A HN 2.860 nan 8.150 nan 0.000 0.507 215 G N 0.880 109.657 108.800 -0.039 0.000 2.304 215 G HA2 -0.198 3.762 3.960 0.000 0.000 0.252 215 G HA3 -0.198 3.762 3.960 0.000 0.000 0.252 215 G C 0.210 175.115 174.900 0.008 0.000 1.014 215 G CA 0.411 45.511 45.100 0.000 0.000 0.619 215 G HN 0.775 nan 8.290 nan 0.000 0.525 216 L N 1.262 122.475 121.223 -0.017 0.000 2.475 216 L HA 0.480 4.820 4.340 0.000 0.000 0.253 216 L C 1.066 177.924 176.870 -0.020 0.000 1.198 216 L CA -0.517 54.316 54.840 -0.011 0.000 0.814 216 L CB 0.576 42.620 42.059 -0.025 0.000 1.134 216 L HN 0.478 nan 8.230 nan 0.000 0.478 217 E N 0.254 120.453 120.200 -0.001 0.000 2.344 217 E HA 0.123 4.473 4.350 0.000 0.000 0.270 217 E C -0.306 176.272 176.600 -0.035 0.000 1.021 217 E CA -0.436 55.963 56.400 -0.001 0.000 0.887 217 E CB 0.701 30.427 29.700 0.043 0.000 0.997 217 E HN 0.632 nan 8.360 nan 0.000 0.429 218 S N 4.427 120.053 115.700 -0.124 0.000 2.568 218 S HA 0.027 4.497 4.470 0.000 0.000 0.282 218 S C -0.173 174.419 174.600 -0.014 0.000 1.338 218 S CA -0.395 57.657 58.200 -0.247 0.000 1.045 218 S CB 0.832 63.652 63.200 -0.633 0.000 0.873 218 S HN 0.680 nan 8.310 nan 0.000 0.516 219 H N 0.439 119.412 119.070 -0.162 0.000 2.996 219 H HA 0.356 4.912 4.556 0.000 0.000 0.368 219 H C 1.103 176.512 175.328 0.134 0.000 1.185 219 H CA -0.002 56.076 56.048 0.050 0.000 1.160 219 H CB 1.550 31.299 29.762 -0.023 0.000 1.820 219 H HN 0.724 nan 8.280 nan 0.000 0.547 220 G N 1.723 110.514 108.800 -0.015 0.000 2.442 220 G HA2 -0.243 3.717 3.960 0.000 0.000 0.219 220 G HA3 -0.243 3.717 3.960 0.000 0.000 0.219 220 G C 1.441 176.505 174.900 0.273 0.000 1.141 220 G CA 0.863 46.106 45.100 0.238 0.000 0.763 220 G HN 0.651 nan 8.290 nan 0.000 0.554 221 G N 0.906 109.914 108.800 0.346 0.000 2.404 221 G HA2 -0.148 3.812 3.960 0.000 0.000 0.215 221 G HA3 -0.148 3.812 3.960 0.000 0.000 0.215 221 G C 2.217 177.083 174.900 -0.056 0.000 1.174 221 G CA 1.784 46.808 45.100 -0.128 0.000 0.780 221 G HN 0.645 nan 8.290 nan 0.000 0.537 222 S N -0.011 115.720 115.700 0.050 0.000 2.428 222 S HA -0.069 4.401 4.470 0.000 0.000 0.230 222 S C 2.205 176.793 174.600 -0.020 0.000 1.014 222 S CA 1.767 59.950 58.200 -0.028 0.000 0.957 222 S CB -0.553 62.614 63.200 -0.055 0.000 0.784 222 S HN 0.249 nan 8.310 nan 0.000 0.499 223 T N 2.014 116.569 114.554 0.001 0.000 2.777 223 T HA 0.024 4.374 4.350 0.000 0.000 0.266 223 T C 1.258 175.968 174.700 0.016 0.000 1.040 223 T CA 1.363 63.441 62.100 -0.038 0.000 1.141 223 T CB -0.523 68.321 68.868 -0.040 0.000 0.868 223 T HN 0.505 nan 8.240 nan 0.000 0.444 224 F N 1.474 121.409 119.950 -0.023 0.000 2.102 224 F HA -0.149 4.378 4.527 0.000 0.000 0.298 224 F C 2.431 178.171 175.800 -0.099 0.000 1.105 224 F CA 0.713 58.690 58.000 -0.039 0.000 1.239 224 F CB -0.889 38.131 39.000 0.034 0.000 0.991 224 F HN 0.142 nan 8.300 nan 0.000 0.474 225 C N 1.058 120.225 119.300 -0.223 0.000 2.413 225 C HA -0.126 4.334 4.460 0.000 0.000 0.276 225 C C 3.098 177.988 174.990 -0.166 0.000 1.248 225 C CA 1.336 60.170 59.018 -0.305 0.000 1.742 225 C CB -1.973 25.730 27.740 -0.063 0.000 2.017 225 C HN 0.757 nan 8.230 nan 0.000 0.481 226 G N 0.514 109.265 108.800 -0.082 0.000 2.414 226 G HA2 -0.113 3.847 3.960 0.000 0.000 0.215 226 G HA3 -0.113 3.847 3.960 0.000 0.000 0.215 226 G C 1.381 176.277 174.900 -0.006 0.000 1.188 226 G CA 0.747 45.850 45.100 0.005 0.000 0.783 226 G HN 0.355 nan 8.290 nan 0.000 0.537 227 I N 2.067 122.602 120.570 -0.059 0.000 2.179 227 I HA -0.145 4.025 4.170 0.000 0.000 0.242 227 I C 3.285 179.339 176.117 -0.104 0.000 1.088 227 I CA 1.274 62.552 61.300 -0.036 0.000 1.357 227 I CB -1.387 36.585 38.000 -0.048 0.000 1.051 227 I HN 0.262 nan 8.210 nan 0.000 0.409 228 A N 0.209 122.839 122.820 -0.317 0.000 1.933 228 A HA -0.179 4.141 4.320 0.000 0.000 0.218 228 A C 2.600 180.165 177.584 -0.032 0.000 1.175 228 A CA 2.086 53.952 52.037 -0.286 0.000 0.628 228 A CB -0.744 17.783 19.000 -0.788 0.000 0.814 228 A HN 0.420 nan 8.150 nan 0.000 0.444 229 S N -0.187 115.530 115.700 0.029 0.000 2.356 229 S HA -0.094 4.376 4.470 0.000 0.000 0.223 229 S C 1.830 176.476 174.600 0.077 0.000 1.032 229 S CA 1.458 59.726 58.200 0.113 0.000 1.005 229 S CB -0.441 62.840 63.200 0.135 0.000 0.867 229 S HN 0.525 nan 8.310 nan 0.000 0.449 230 L N 0.589 121.835 121.223 0.039 0.000 2.046 230 L HA -0.157 4.184 4.340 0.000 0.000 0.208 230 L C 2.562 179.440 176.870 0.012 0.000 1.077 230 L CA 0.867 55.713 54.840 0.010 0.000 0.747 230 L CB -0.727 41.344 42.059 0.021 0.000 0.896 230 L HN 0.419 nan 8.230 nan 0.000 0.432 231 C N -0.541 118.777 119.300 0.031 0.000 2.425 231 C HA -0.139 4.321 4.460 0.000 0.000 0.277 231 C C 2.650 177.682 174.990 0.069 0.000 1.280 231 C CA 0.180 59.227 59.018 0.048 0.000 1.744 231 C CB -0.714 27.057 27.740 0.051 0.000 1.989 231 C HN 0.395 nan 8.230 nan 0.000 0.491 232 L N 0.187 121.453 121.223 0.071 0.000 2.141 232 L HA -0.037 4.303 4.340 0.000 0.000 0.209 232 L C 2.307 179.349 176.870 0.287 0.000 1.094 232 L CA 1.790 56.708 54.840 0.130 0.000 0.763 232 L CB -0.651 41.474 42.059 0.111 0.000 0.908 232 L HN 0.362 nan 8.230 nan 0.000 0.437 233 M N -1.599 118.011 119.600 0.018 0.000 2.558 233 M HA 0.208 4.688 4.480 0.000 0.000 0.255 233 M C 1.196 177.367 176.300 -0.215 0.000 1.113 233 M CA 0.709 55.771 55.300 -0.396 0.000 1.097 233 M CB -0.131 32.189 32.600 -0.466 0.000 1.426 233 M HN 0.306 nan 8.290 nan 0.000 0.488 234 G N 2.341 111.115 108.800 -0.044 0.000 2.272 234 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 234 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 234 G C 0.170 175.039 174.900 -0.052 0.000 1.067 234 G CA 0.332 45.424 45.100 -0.013 0.000 0.902 234 G HN 0.587 nan 8.290 nan 0.000 0.500 235 K N -0.709 119.654 120.400 -0.061 0.000 2.644 235 K HA 0.361 4.681 4.320 0.000 0.000 0.198 235 K C 1.880 178.450 176.600 -0.050 0.000 1.113 235 K CA -0.532 55.712 56.287 -0.072 0.000 1.073 235 K CB 0.522 32.951 32.500 -0.119 0.000 0.811 235 K HN 0.305 nan 8.250 nan 0.000 0.508 236 L N 1.656 122.878 121.223 -0.002 0.000 1.970 236 L HA -0.228 4.112 4.340 0.000 0.000 0.212 236 L C 1.895 178.802 176.870 0.061 0.000 1.071 236 L CA 1.828 56.699 54.840 0.052 0.000 0.751 236 L CB 0.010 42.120 42.059 0.085 0.000 0.889 236 L HN 0.340 nan 8.230 nan 0.000 0.432 237 E N -0.334 119.895 120.200 0.047 0.000 2.118 237 E HA -0.319 4.031 4.350 0.000 0.000 0.195 237 E C 1.882 178.493 176.600 0.019 0.000 0.992 237 E CA 1.557 57.985 56.400 0.047 0.000 0.804 237 E CB -0.246 29.475 29.700 0.034 0.000 0.741 237 E HN 0.617 nan 8.360 nan 0.000 0.458 238 E N 0.755 120.944 120.200 -0.018 0.000 2.208 238 E HA -0.090 4.260 4.350 0.000 0.000 0.193 238 E C 1.943 178.489 176.600 -0.090 0.000 0.988 238 E CA 0.535 56.908 56.400 -0.045 0.000 0.828 238 E CB 0.390 30.056 29.700 -0.057 0.000 0.763 238 E HN 0.025 nan 8.360 nan 0.000 0.478 239 V N 0.225 120.046 119.914 -0.155 0.000 2.599 239 V HA 0.054 4.174 4.120 0.000 0.000 0.245 239 V C 0.624 176.473 176.094 -0.407 0.000 1.046 239 V CA 0.828 62.924 62.300 -0.340 0.000 1.065 239 V CB -0.071 31.431 31.823 -0.535 0.000 0.703 239 V HN 0.093 nan 8.190 nan 0.000 0.464 240 F N 0.548 120.490 119.950 -0.013 0.000 2.469 240 F HA 0.494 5.021 4.527 0.000 0.000 0.332 240 F C 0.872 176.670 175.800 -0.004 0.000 1.103 240 F CA -0.749 57.245 58.000 -0.011 0.000 0.979 240 F CB 1.620 40.612 39.000 -0.012 0.000 1.137 240 F HN -0.020 nan 8.300 nan 0.000 0.463 241 S N 0.955 116.781 115.700 0.211 0.000 2.608 241 S HA 0.070 4.540 4.470 0.000 0.000 0.261 241 S C 1.099 175.759 174.600 0.100 0.000 1.314 241 S CA -0.431 57.837 58.200 0.114 0.000 0.992 241 S CB 1.212 64.462 63.200 0.083 0.000 0.935 241 S HN 0.875 nan 8.310 nan 0.000 0.564 242 E N 0.779 121.018 120.200 0.066 0.000 2.110 242 E HA -0.226 4.124 4.350 0.000 0.000 0.193 242 E C 1.954 178.578 176.600 0.039 0.000 0.988 242 E CA 1.331 57.762 56.400 0.052 0.000 0.804 242 E CB -0.191 29.533 29.700 0.040 0.000 0.745 242 E HN 0.769 nan 8.360 nan 0.000 0.458 243 K N 0.474 120.896 120.400 0.036 0.000 2.057 243 K HA -0.197 4.123 4.320 0.000 0.000 0.207 243 K C 1.982 178.589 176.600 0.011 0.000 1.049 243 K CA 1.718 58.019 56.287 0.023 0.000 0.931 243 K CB 0.044 32.559 32.500 0.024 0.000 0.714 243 K HN 0.131 nan 8.250 nan 0.000 0.440 244 E N 0.519 120.732 120.200 0.021 0.000 2.051 244 E HA -0.173 4.177 4.350 0.000 0.000 0.192 244 E C 2.041 178.576 176.600 -0.109 0.000 0.991 244 E CA 1.334 57.715 56.400 -0.030 0.000 0.799 244 E CB -0.061 29.673 29.700 0.057 0.000 0.748 244 E HN 0.269 nan 8.360 nan 0.000 0.449 245 L N 1.009 122.203 121.223 -0.048 0.000 2.127 245 L HA -0.222 4.118 4.340 0.000 0.000 0.211 245 L C 1.958 178.811 176.870 -0.028 0.000 1.089 245 L CA 1.127 55.935 54.840 -0.055 0.000 0.757 245 L CB -0.462 41.615 42.059 0.030 0.000 0.899 245 L HN 0.216 nan 8.230 nan 0.000 0.434 246 N N -0.390 118.307 118.700 -0.006 0.000 2.188 246 N HA -0.142 4.598 4.740 0.000 0.000 0.184 246 N C 1.896 177.410 175.510 0.007 0.000 1.018 246 N CA 0.718 53.774 53.050 0.010 0.000 0.858 246 N CB 0.009 38.504 38.487 0.012 0.000 0.989 246 N HN 0.325 nan 8.380 nan 0.000 0.426 247 R N 0.798 121.289 120.500 -0.014 0.000 2.075 247 R HA 0.016 4.356 4.340 0.000 0.000 0.232 247 R C 2.159 178.464 176.300 0.008 0.000 1.126 247 R CA 0.865 56.962 56.100 -0.005 0.000 0.963 247 R CB -0.287 29.994 30.300 -0.031 0.000 0.858 247 R HN 0.249 nan 8.270 nan 0.000 0.435 248 I N 1.204 121.734 120.570 -0.067 0.000 2.226 248 I HA -0.288 3.882 4.170 0.000 0.000 0.245 248 I C 2.124 178.289 176.117 0.081 0.000 1.100 248 I CA 1.471 62.734 61.300 -0.062 0.000 1.374 248 I CB -0.249 37.617 38.000 -0.224 0.000 1.057 248 I HN 0.137 nan 8.210 nan 0.000 0.413 249 K N 0.368 120.803 120.400 0.058 0.000 2.063 249 K HA -0.239 4.081 4.320 0.000 0.000 0.208 249 K C 2.257 178.928 176.600 0.118 0.000 1.048 249 K CA 1.400 57.746 56.287 0.099 0.000 0.928 249 K CB -0.226 32.324 32.500 0.082 0.000 0.713 249 K HN 0.062 nan 8.250 nan 0.000 0.442 250 R N 0.530 121.088 120.500 0.097 0.000 2.081 250 R HA -0.183 4.157 4.340 0.000 0.000 0.235 250 R C 1.841 178.204 176.300 0.105 0.000 1.131 250 R CA 1.659 57.808 56.100 0.081 0.000 0.960 250 R CB -0.765 29.572 30.300 0.062 0.000 0.856 250 R HN 0.394 nan 8.270 nan 0.000 0.436 251 W N -0.227 121.061 121.300 -0.020 0.000 2.358 251 W HA -0.213 4.447 4.660 0.000 0.000 0.303 251 W C 2.008 178.536 176.519 0.015 0.000 1.208 251 W CA 1.680 59.012 57.345 -0.022 0.000 1.274 251 W CB -0.505 28.917 29.460 -0.062 0.000 1.138 251 W HN 0.151 nan 8.180 nan 0.000 0.515 252 C N -0.230 119.260 119.300 0.315 0.000 2.436 252 C HA -0.191 4.269 4.460 0.000 0.000 0.277 252 C C 2.664 177.705 174.990 0.084 0.000 1.241 252 C CA 1.178 60.326 59.018 0.217 0.000 1.721 252 C CB -1.526 26.380 27.740 0.276 0.000 2.043 252 C HN 0.442 nan 8.230 nan 0.000 0.472 253 I N 0.561 121.192 120.570 0.101 0.000 2.700 253 I HA -0.163 4.007 4.170 0.000 0.000 0.261 253 I C 2.014 178.118 176.117 -0.021 0.000 1.219 253 I CA 1.187 62.544 61.300 0.094 0.000 1.463 253 I CB -0.073 37.986 38.000 0.098 0.000 1.092 253 I HN 0.279 nan 8.210 nan 0.000 0.452 254 M N -0.266 119.269 119.600 -0.109 0.000 2.619 254 M HA -0.012 4.468 4.480 0.000 0.000 0.251 254 M C 1.677 177.828 176.300 -0.248 0.000 1.106 254 M CA 0.816 56.007 55.300 -0.182 0.000 1.086 254 M CB -0.831 31.643 32.600 -0.210 0.000 1.465 254 M HN 0.164 nan 8.290 nan 0.000 0.506 255 R N 0.326 120.688 120.500 -0.230 0.000 2.236 255 R HA 0.033 4.373 4.340 0.000 0.000 0.208 255 R C 0.900 176.932 176.300 -0.447 0.000 1.036 255 R CA 0.199 56.166 56.100 -0.222 0.000 1.001 255 R CB -0.592 29.703 30.300 -0.008 0.000 0.896 255 R HN 0.537 nan 8.270 nan 0.000 0.464 256 Q N 1.201 120.718 119.800 -0.471 0.000 2.293 256 Q HA -0.006 4.334 4.340 0.000 0.000 0.263 256 Q C 0.217 175.868 176.000 -0.581 0.000 1.002 256 Q CA 0.042 55.339 55.803 -0.843 0.000 0.910 256 Q CB 0.896 29.094 28.738 -0.899 0.000 1.185 256 Q HN -0.024 nan 8.270 nan 0.000 0.401 257 Q N 2.788 122.242 119.800 -0.577 0.000 2.442 257 Q HA 0.101 4.441 4.340 0.000 0.000 0.228 257 Q C 0.233 176.054 176.000 -0.299 0.000 0.902 257 Q CA 1.407 56.970 55.803 -0.401 0.000 0.933 257 Q CB 0.569 29.070 28.738 -0.395 0.000 1.071 257 Q HN 0.883 nan 8.270 nan 0.000 0.562 258 N N -1.136 117.366 118.700 -0.330 0.000 2.529 258 N HA 0.045 4.785 4.740 0.000 0.000 0.328 258 N C 0.762 176.140 175.510 -0.220 0.000 0.606 258 N CA 0.486 53.420 53.050 -0.194 0.000 1.182 258 N CB -0.262 38.168 38.487 -0.095 0.000 1.946 258 N HN 0.096 nan 8.380 nan 0.000 1.584 259 G N -1.032 107.570 108.800 -0.330 0.000 2.641 259 G HA2 0.574 4.535 3.960 0.000 0.000 0.239 259 G HA3 0.574 4.535 3.960 0.000 0.000 0.239 259 G C -1.440 173.255 174.900 -0.342 0.000 1.402 259 G CA -0.338 44.613 45.100 -0.249 0.000 1.046 259 G HN 0.120 nan 8.290 nan 0.000 0.565 260 Y N -0.621 119.602 120.300 -0.127 0.000 2.485 260 Y HA 0.452 5.002 4.550 0.000 0.000 0.345 260 Y C 0.637 176.539 175.900 0.004 0.000 0.998 260 Y CA -0.853 57.204 58.100 -0.073 0.000 1.059 260 Y CB 1.761 40.262 38.460 0.069 0.000 1.234 260 Y HN 0.721 nan 8.280 nan 0.000 0.461 261 H N -1.495 117.562 119.070 -0.022 0.000 2.615 261 H HA 0.638 5.194 4.556 0.000 0.000 0.346 261 H C 0.375 175.390 175.328 -0.522 0.000 1.200 261 H CA -0.928 54.998 56.048 -0.203 0.000 1.264 261 H CB 2.029 31.678 29.762 -0.187 0.000 1.699 261 H HN 0.816 nan 8.280 nan 0.000 0.567 262 G N 0.142 108.412 108.800 -0.884 0.000 2.838 262 G HA2 0.139 4.099 3.960 0.000 0.000 0.210 262 G HA3 0.139 4.099 3.960 0.000 0.000 0.210 262 G C 0.368 174.842 174.900 -0.711 0.000 1.153 262 G CA -0.245 44.123 45.100 -1.221 0.000 0.778 262 G HN 0.542 nan 8.290 nan 0.000 0.539 263 R N -0.679 119.396 120.500 -0.709 0.000 2.680 263 R HA 0.324 4.664 4.340 0.000 0.000 0.269 263 R C -3.135 172.652 176.300 -0.854 0.000 1.026 263 R CA -1.829 53.963 56.100 -0.512 0.000 0.889 263 R CB 1.939 32.096 30.300 -0.237 0.000 1.241 263 R HN -0.145 nan 8.270 nan 0.000 0.463 264 P HA -0.046 nan 4.420 nan 0.000 0.264 264 P C -0.538 176.605 177.300 -0.262 0.000 1.183 264 P CA 0.401 63.286 63.100 -0.358 0.000 0.763 264 P CB 0.339 31.958 31.700 -0.135 0.000 0.807 265 N N -0.599 118.026 118.700 -0.124 0.000 2.782 265 N HA -0.163 4.577 4.740 0.000 0.000 0.251 265 N C -0.364 175.110 175.510 -0.060 0.000 1.101 265 N CA 1.265 54.286 53.050 -0.047 0.000 0.764 265 N CB -0.753 37.714 38.487 -0.033 0.000 1.122 265 N HN 0.488 nan 8.380 nan 0.000 0.561 266 K N 0.586 120.909 120.400 -0.128 0.000 2.208 266 K HA 0.482 4.802 4.320 0.000 0.000 0.247 266 K C -2.208 174.437 176.600 0.073 0.000 0.953 266 K CA -1.452 54.798 56.287 -0.062 0.000 0.837 266 K CB 1.845 34.246 32.500 -0.164 0.000 1.131 266 K HN -0.084 nan 8.250 nan 0.000 0.431 267 P HA 0.008 nan 4.420 nan 0.000 0.271 267 P C 0.168 177.580 177.300 0.187 0.000 1.218 267 P CA -0.434 62.718 63.100 0.088 0.000 0.780 267 P CB 0.494 32.197 31.700 0.005 0.000 0.901 268 V N -0.834 119.129 119.914 0.082 0.000 2.963 268 V HA 0.342 4.462 4.120 0.000 0.000 0.306 268 V C 0.075 176.367 176.094 0.331 0.000 1.077 268 V CA 0.053 62.384 62.300 0.051 0.000 1.124 268 V CB 0.420 32.022 31.823 -0.367 0.000 0.987 268 V HN 0.619 nan 8.190 nan 0.000 0.487 269 D N 1.666 122.302 120.400 0.393 0.000 2.970 269 D HA 0.307 4.947 4.640 0.000 0.000 0.230 269 D C 0.801 177.415 176.300 0.523 0.000 1.276 269 D CA -0.034 54.288 54.000 0.535 0.000 0.910 269 D CB 2.244 43.408 40.800 0.606 0.000 1.590 269 D HN 0.646 nan 8.370 nan 0.000 0.551 270 T N 1.912 116.798 114.554 0.554 0.000 2.649 270 T HA -0.231 4.119 4.350 0.000 0.000 0.268 270 T C 2.011 176.850 174.700 0.231 0.000 1.036 270 T CA 2.330 64.696 62.100 0.443 0.000 1.157 270 T CB -0.610 68.450 68.868 0.319 0.000 0.861 270 T HN 0.785 nan 8.240 nan 0.000 0.445 271 C N 0.245 119.658 119.300 0.189 0.000 2.409 271 C HA -0.036 4.424 4.460 0.000 0.000 0.288 271 C C 2.177 176.915 174.990 -0.421 0.000 1.395 271 C CA -0.244 58.644 59.018 -0.217 0.000 1.792 271 C CB -2.130 25.382 27.740 -0.381 0.000 1.847 271 C HN 0.501 nan 8.230 nan 0.000 0.534 272 Y N 1.732 122.123 120.300 0.153 0.000 2.561 272 Y HA 0.031 4.581 4.550 0.000 0.000 0.291 272 Y C 2.808 178.661 175.900 -0.079 0.000 1.141 272 Y CA 1.299 59.493 58.100 0.156 0.000 1.303 272 Y CB -0.515 38.083 38.460 0.231 0.000 1.015 272 Y HN 0.329 nan 8.280 nan 0.000 0.547 273 S N -0.435 115.267 115.700 0.002 0.000 2.442 273 S HA -0.156 4.314 4.470 0.000 0.000 0.236 273 S C 1.640 176.041 174.600 -0.331 0.000 1.007 273 S CA 1.112 59.216 58.200 -0.159 0.000 0.965 273 S CB -0.343 62.869 63.200 0.020 0.000 0.773 273 S HN 0.551 nan 8.310 nan 0.000 0.504 274 F N 0.066 119.725 119.950 -0.485 0.000 2.315 274 F HA 0.202 4.729 4.527 0.000 0.000 0.284 274 F C 1.577 177.022 175.800 -0.591 0.000 1.049 274 F CA 0.076 57.716 58.000 -0.600 0.000 1.323 274 F CB -0.662 37.921 39.000 -0.695 0.000 1.113 274 F HN 0.161 nan 8.300 nan 0.000 0.544 275 W N 0.479 121.394 121.300 -0.642 0.000 2.302 275 W HA -0.252 4.408 4.660 0.000 0.000 0.320 275 W C 2.336 178.627 176.519 -0.380 0.000 1.241 275 W CA 1.653 58.602 57.345 -0.660 0.000 1.264 275 W CB -0.950 28.284 29.460 -0.378 0.000 1.154 275 W HN -0.151 nan 8.180 nan 0.000 0.483 276 V N 0.181 120.095 119.914 0.001 0.000 2.379 276 V HA -0.081 4.039 4.120 0.000 0.000 0.243 276 V C 2.388 178.329 176.094 -0.254 0.000 1.035 276 V CA 1.912 64.196 62.300 -0.027 0.000 1.035 276 V CB -1.559 30.279 31.823 0.025 0.000 0.673 276 V HN 0.376 nan 8.190 nan 0.000 0.457 277 G N 0.130 108.596 108.800 -0.558 0.000 2.469 277 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 277 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 277 G C 1.732 176.222 174.900 -0.684 0.000 1.150 277 G CA 1.196 45.893 45.100 -0.673 0.000 0.763 277 G HN 0.602 nan 8.290 nan 0.000 0.561 278 A N -0.062 122.334 122.820 -0.707 0.000 1.969 278 A HA 0.046 4.366 4.320 0.000 0.000 0.218 278 A C 2.515 179.991 177.584 -0.179 0.000 1.169 278 A CA 2.316 54.014 52.037 -0.565 0.000 0.635 278 A CB -0.691 17.680 19.000 -1.049 0.000 0.810 278 A HN 0.305 nan 8.150 nan 0.000 0.445 279 T N 0.419 114.936 114.554 -0.063 0.000 2.777 279 T HA -0.044 4.306 4.350 0.000 0.000 0.266 279 T C 1.796 176.522 174.700 0.044 0.000 1.040 279 T CA 1.363 63.496 62.100 0.055 0.000 1.141 279 T CB -0.348 68.596 68.868 0.126 0.000 0.868 279 T HN 0.368 nan 8.240 nan 0.000 0.444 280 L N 0.708 121.961 121.223 0.050 0.000 2.083 280 L HA -0.106 4.234 4.340 0.000 0.000 0.209 280 L C 2.602 179.560 176.870 0.145 0.000 1.083 280 L CA 1.151 56.083 54.840 0.153 0.000 0.752 280 L CB -0.404 41.837 42.059 0.304 0.000 0.899 280 L HN 0.167 nan 8.230 nan 0.000 0.433 281 K N 0.846 121.263 120.400 0.028 0.000 2.057 281 K HA -0.143 4.177 4.320 0.000 0.000 0.207 281 K C 1.942 178.570 176.600 0.046 0.000 1.049 281 K CA 1.511 57.815 56.287 0.028 0.000 0.931 281 K CB -0.324 32.090 32.500 -0.142 0.000 0.714 281 K HN 0.173 nan 8.250 nan 0.000 0.440 282 L N 0.284 121.527 121.223 0.032 0.000 2.201 282 L HA -0.069 4.271 4.340 0.000 0.000 0.212 282 L C 1.721 178.629 176.870 0.063 0.000 1.105 282 L CA 0.765 55.634 54.840 0.049 0.000 0.775 282 L CB -0.214 41.869 42.059 0.039 0.000 0.913 282 L HN 0.170 nan 8.230 nan 0.000 0.440 283 L N -0.440 120.828 121.223 0.076 0.000 2.611 283 L HA 0.039 4.379 4.340 0.000 0.000 0.229 283 L C 0.511 177.444 176.870 0.105 0.000 1.137 283 L CA 0.032 54.925 54.840 0.088 0.000 0.901 283 L CB -0.241 41.873 42.059 0.092 0.000 1.098 283 L HN 0.195 nan 8.230 nan 0.000 0.456 284 K N 0.658 121.119 120.400 0.101 0.000 3.071 284 K HA -0.203 4.117 4.320 0.000 0.000 0.265 284 K C 0.599 177.265 176.600 0.109 0.000 1.060 284 K CA 1.032 57.376 56.287 0.095 0.000 0.767 284 K CB -1.653 30.896 32.500 0.082 0.000 1.241 284 K HN 0.626 nan 8.250 nan 0.000 0.486 285 I N -4.771 115.890 120.570 0.151 0.000 4.219 285 I HA 0.182 4.352 4.170 0.000 0.000 0.329 285 I C 1.214 177.427 176.117 0.159 0.000 1.427 285 I CA -0.684 60.731 61.300 0.191 0.000 1.151 285 I CB 0.119 38.319 38.000 0.333 0.000 1.369 285 I HN -0.005 nan 8.210 nan 0.000 0.521 286 F N 3.435 123.404 119.950 0.032 0.000 2.216 286 F HA -0.177 4.350 4.527 0.000 0.000 0.300 286 F C 2.550 178.430 175.800 0.133 0.000 1.085 286 F CA 2.391 60.446 58.000 0.091 0.000 1.326 286 F CB -0.118 38.916 39.000 0.056 0.000 1.027 286 F HN 0.388 nan 8.300 nan 0.000 0.497 287 Q N -1.283 118.433 119.800 -0.139 0.000 2.297 287 Q HA -0.257 4.083 4.340 0.000 0.000 0.208 287 Q C 1.151 176.853 176.000 -0.497 0.000 0.981 287 Q CA 1.985 57.565 55.803 -0.371 0.000 0.876 287 Q CB -1.115 27.317 28.738 -0.509 0.000 0.921 287 Q HN 0.615 nan 8.270 nan 0.000 0.446 288 Y N 2.110 122.358 120.300 -0.087 0.000 2.461 288 Y HA 0.128 4.678 4.550 0.000 0.000 0.277 288 Y C 1.096 176.939 175.900 -0.095 0.000 1.182 288 Y CA -0.081 57.963 58.100 -0.093 0.000 1.276 288 Y CB 0.446 38.884 38.460 -0.038 0.000 1.087 288 Y HN 0.168 nan 8.280 nan 0.000 0.519 289 T N -1.954 112.584 114.554 -0.027 0.000 2.824 289 T HA 0.083 4.433 4.350 0.000 0.000 0.277 289 T C 0.056 174.762 174.700 0.011 0.000 0.975 289 T CA -0.995 61.106 62.100 0.001 0.000 0.966 289 T CB 1.204 70.061 68.868 -0.019 0.000 1.054 289 T HN 0.088 nan 8.240 nan 0.000 0.533 290 N N 0.527 119.254 118.700 0.045 0.000 2.469 290 N HA 0.153 4.893 4.740 0.000 0.000 0.239 290 N C 0.361 175.998 175.510 0.213 0.000 1.053 290 N CA -0.547 52.540 53.050 0.062 0.000 0.937 290 N CB -0.245 38.243 38.487 0.002 0.000 1.163 290 N HN 0.711 nan 8.380 nan 0.000 0.509 291 F N 1.358 121.254 119.950 -0.091 0.000 2.102 291 F HA -0.153 4.375 4.527 0.000 0.000 0.298 291 F C 2.327 178.133 175.800 0.009 0.000 1.105 291 F CA 0.613 58.586 58.000 -0.045 0.000 1.239 291 F CB 0.222 39.190 39.000 -0.055 0.000 0.991 291 F HN 0.555 nan 8.300 nan 0.000 0.474 292 E N 1.292 121.615 120.200 0.206 0.000 2.038 292 E HA -0.261 4.089 4.350 0.000 0.000 0.195 292 E C 1.982 178.642 176.600 0.101 0.000 1.000 292 E CA 1.535 58.010 56.400 0.125 0.000 0.803 292 E CB -0.074 29.675 29.700 0.080 0.000 0.750 292 E HN 0.380 nan 8.360 nan 0.000 0.448 293 K N 0.278 120.727 120.400 0.081 0.000 2.097 293 K HA -0.157 4.163 4.320 0.000 0.000 0.206 293 K C 2.107 178.771 176.600 0.107 0.000 1.049 293 K CA 1.299 57.627 56.287 0.068 0.000 0.933 293 K CB -0.191 32.317 32.500 0.014 0.000 0.717 293 K HN 0.071 nan 8.250 nan 0.000 0.442 294 N N 1.534 120.305 118.700 0.117 0.000 2.080 294 N HA -0.179 4.561 4.740 0.000 0.000 0.189 294 N C 1.728 177.345 175.510 0.179 0.000 1.036 294 N CA 1.396 54.554 53.050 0.181 0.000 0.846 294 N CB -0.039 38.592 38.487 0.241 0.000 1.015 294 N HN 0.057 nan 8.380 nan 0.000 0.423 295 R N 0.055 120.624 120.500 0.115 0.000 2.091 295 R HA -0.075 4.265 4.340 0.000 0.000 0.238 295 R C 1.472 177.834 176.300 0.103 0.000 1.136 295 R CA 1.643 57.791 56.100 0.079 0.000 0.959 295 R CB -0.250 30.085 30.300 0.059 0.000 0.856 295 R HN 0.264 nan 8.270 nan 0.000 0.437 296 N N -0.184 118.584 118.700 0.114 0.000 2.120 296 N HA -0.213 4.527 4.740 0.000 0.000 0.188 296 N C 1.415 176.992 175.510 0.112 0.000 1.024 296 N CA 1.367 54.479 53.050 0.105 0.000 0.852 296 N CB -0.565 37.980 38.487 0.096 0.000 1.003 296 N HN 0.327 nan 8.380 nan 0.000 0.424 297 Y N 1.526 121.872 120.300 0.076 0.000 2.133 297 Y HA -0.052 4.499 4.550 0.000 0.000 0.287 297 Y C 2.156 178.130 175.900 0.124 0.000 1.134 297 Y CA 1.309 59.464 58.100 0.092 0.000 1.133 297 Y CB -0.453 38.059 38.460 0.086 0.000 0.987 297 Y HN -0.031 nan 8.280 nan 0.000 0.502 298 I N -0.007 120.605 120.570 0.070 0.000 2.151 298 I HA -0.382 3.788 4.170 0.000 0.000 0.243 298 I C 2.344 178.509 176.117 0.081 0.000 1.080 298 I CA 1.698 62.998 61.300 0.001 0.000 1.339 298 I CB -0.606 37.377 38.000 -0.029 0.000 1.039 298 I HN 0.276 nan 8.210 nan 0.000 0.409 299 L N 0.522 121.826 121.223 0.136 0.000 2.191 299 L HA -0.165 4.175 4.340 0.000 0.000 0.212 299 L C 2.668 179.593 176.870 0.092 0.000 1.103 299 L CA 1.449 56.427 54.840 0.229 0.000 0.769 299 L CB -0.641 41.526 42.059 0.181 0.000 0.908 299 L HN 0.397 nan 8.230 nan 0.000 0.438 300 S N -1.535 114.143 115.700 -0.037 0.000 2.547 300 S HA -0.111 4.359 4.470 0.000 0.000 0.235 300 S C 1.647 176.189 174.600 -0.097 0.000 0.980 300 S CA 1.049 59.199 58.200 -0.082 0.000 0.941 300 S CB -0.604 62.521 63.200 -0.124 0.000 0.763 300 S HN 0.559 nan 8.310 nan 0.000 0.532 301 T N -1.859 112.650 114.554 -0.075 0.000 3.092 301 T HA 0.259 4.609 4.350 0.000 0.000 0.258 301 T C 0.284 175.006 174.700 0.037 0.000 1.031 301 T CA -0.534 61.562 62.100 -0.006 0.000 0.925 301 T CB -0.204 68.663 68.868 -0.001 0.000 1.036 301 T HN 0.472 nan 8.240 nan 0.000 0.544 302 Q N 1.696 121.472 119.800 -0.039 0.000 2.304 302 Q HA 0.116 4.456 4.340 0.000 0.000 0.260 302 Q C -0.884 174.952 176.000 -0.274 0.000 0.965 302 Q CA -0.370 55.190 55.803 -0.405 0.000 0.898 302 Q CB 0.585 29.109 28.738 -0.357 0.000 1.196 302 Q HN 0.244 nan 8.270 nan 0.000 0.402 303 D N 3.896 124.099 120.400 -0.327 0.000 2.411 303 D HA 0.083 4.723 4.640 0.000 0.000 0.225 303 D C 0.382 176.542 176.300 -0.233 0.000 1.156 303 D CA -0.024 53.855 54.000 -0.201 0.000 0.874 303 D CB 0.592 41.299 40.800 -0.154 0.000 1.034 303 D HN 0.606 nan 8.370 nan 0.000 0.502 304 R N 2.587 122.978 120.500 -0.181 0.000 2.237 304 R HA -0.054 4.286 4.340 0.000 0.000 0.219 304 R C 1.604 177.806 176.300 -0.163 0.000 1.080 304 R CA 0.227 56.215 56.100 -0.187 0.000 0.995 304 R CB 0.396 30.619 30.300 -0.129 0.000 0.875 304 R HN 0.435 nan 8.270 nan 0.000 0.462 305 L N 0.493 121.642 121.223 -0.123 0.000 2.185 305 L HA 0.007 4.347 4.340 0.000 0.000 0.198 305 L C 2.056 178.871 176.870 -0.092 0.000 1.079 305 L CA 1.411 56.195 54.840 -0.094 0.000 0.780 305 L CB -0.355 41.669 42.059 -0.059 0.000 0.955 305 L HN 0.100 nan 8.230 nan 0.000 0.462 306 V N -1.385 118.487 119.914 -0.071 0.000 3.471 306 V HA 0.468 4.588 4.120 0.000 0.000 0.258 306 V C 0.877 176.982 176.094 0.019 0.000 1.192 306 V CA 0.657 62.949 62.300 -0.014 0.000 1.116 306 V CB -0.226 31.623 31.823 0.043 0.000 0.792 306 V HN 0.625 nan 8.190 nan 0.000 0.459 307 G N -0.840 107.870 108.800 -0.150 0.000 2.655 307 G HA2 0.409 4.369 3.960 0.000 0.000 0.680 307 G HA3 0.409 4.369 3.960 0.000 0.000 0.680 307 G C 0.525 175.097 174.900 -0.545 0.000 1.302 307 G CA -0.294 44.618 45.100 -0.314 0.000 0.872 307 G HN 2.424 nan 8.290 nan 0.000 0.540 308 G N -1.954 106.456 108.800 -0.651 0.000 2.828 308 G HA2 0.355 4.315 3.960 0.000 0.000 0.463 308 G HA3 0.355 4.315 3.960 0.000 0.000 0.463 308 G C -0.392 174.036 174.900 -0.787 0.000 1.394 308 G CA 0.332 44.715 45.100 -1.195 0.000 0.862 308 G HN 1.815 nan 8.290 nan 0.000 0.540 309 F N -0.043 119.652 119.950 -0.425 0.000 2.593 309 F HA 0.832 5.359 4.527 0.000 0.000 0.320 309 F C 0.837 176.575 175.800 -0.103 0.000 1.060 309 F CA 0.042 57.928 58.000 -0.189 0.000 0.940 309 F CB 2.082 40.998 39.000 -0.140 0.000 1.268 309 F HN 0.991 nan 8.300 nan 0.000 0.475 310 A N 1.044 123.928 122.820 0.107 0.000 2.309 310 A HA 0.544 4.864 4.320 0.000 0.000 0.317 310 A C 0.789 178.248 177.584 -0.208 0.000 1.134 310 A CA -0.565 51.443 52.037 -0.049 0.000 0.866 310 A CB 1.312 20.302 19.000 -0.017 0.000 1.329 310 A HN 0.897 nan 8.150 nan 0.000 0.477 311 K N -1.069 118.961 120.400 -0.616 0.000 2.167 311 K HA 0.005 4.325 4.320 0.000 0.000 0.203 311 K C -0.462 176.086 176.600 -0.086 0.000 1.052 311 K CA 0.637 56.552 56.287 -0.621 0.000 0.956 311 K CB 0.049 31.941 32.500 -1.014 0.000 0.735 311 K HN 0.562 nan 8.250 nan 0.000 0.451 312 W N 1.620 122.939 121.300 0.031 0.000 2.882 312 W HA 0.411 5.071 4.660 0.000 0.000 0.345 312 W C -2.621 173.907 176.519 0.015 0.000 1.125 312 W CA -3.129 54.278 57.345 0.104 0.000 1.167 312 W CB 0.327 29.847 29.460 0.100 0.000 1.431 312 W HN -0.196 nan 8.180 nan 0.000 0.543 313 P HA -0.025 nan 4.420 nan 0.000 0.272 313 P C -0.226 177.141 177.300 0.112 0.000 1.223 313 P CA 0.512 63.667 63.100 0.091 0.000 0.784 313 P CB 0.707 32.431 31.700 0.041 0.000 0.923 314 D N -1.672 118.768 120.400 0.066 0.000 2.737 314 D HA -0.139 4.501 4.640 0.000 0.000 0.238 314 D C -0.202 176.141 176.300 0.072 0.000 1.157 314 D CA 1.202 55.238 54.000 0.060 0.000 0.694 314 D CB -1.613 39.214 40.800 0.046 0.000 1.021 314 D HN 0.397 nan 8.370 nan 0.000 0.420 315 S N -1.076 114.670 115.700 0.077 0.000 2.556 315 S HA 0.365 4.835 4.470 0.000 0.000 0.271 315 S C -0.742 173.913 174.600 0.093 0.000 1.135 315 S CA -0.701 57.526 58.200 0.045 0.000 0.858 315 S CB 1.252 64.519 63.200 0.111 0.000 1.114 315 S HN 0.260 nan 8.310 nan 0.000 0.468 316 H N 2.835 121.935 119.070 0.051 0.000 2.764 316 H HA 0.286 4.842 4.556 0.000 0.000 0.341 316 H C -1.875 173.487 175.328 0.056 0.000 1.072 316 H CA -1.351 54.733 56.048 0.060 0.000 1.444 316 H CB 0.603 30.417 29.762 0.087 0.000 1.458 316 H HN 0.433 nan 8.280 nan 0.000 0.572 317 P HA 0.070 nan 4.420 nan 0.000 0.276 317 P C -1.046 176.409 177.300 0.257 0.000 1.244 317 P CA -0.386 62.784 63.100 0.117 0.000 0.801 317 P CB 1.459 33.129 31.700 -0.050 0.000 1.006 318 D N -1.614 118.952 120.400 0.277 0.000 2.596 318 D HA 0.454 5.094 4.640 0.000 0.000 0.262 318 D C 0.783 177.320 176.300 0.396 0.000 1.210 318 D CA -0.967 53.269 54.000 0.393 0.000 0.873 318 D CB 0.362 41.372 40.800 0.351 0.000 1.408 318 D HN 0.169 nan 8.370 nan 0.000 0.441 319 A N 0.262 123.337 122.820 0.425 0.000 1.940 319 A HA -0.122 4.198 4.320 0.000 0.000 0.219 319 A C 1.974 179.599 177.584 0.069 0.000 1.176 319 A CA 1.540 53.837 52.037 0.433 0.000 0.631 319 A CB -0.964 18.307 19.000 0.451 0.000 0.814 319 A HN 0.638 nan 8.150 nan 0.000 0.446 320 L N -1.424 119.725 121.223 -0.122 0.000 1.994 320 L HA -0.204 4.136 4.340 0.000 0.000 0.208 320 L C 2.457 179.077 176.870 -0.417 0.000 1.071 320 L CA 2.222 56.659 54.840 -0.672 0.000 0.745 320 L CB -0.373 41.517 42.059 -0.281 0.000 0.892 320 L HN 0.551 nan 8.230 nan 0.000 0.431 321 H N -0.731 118.318 119.070 -0.036 0.000 2.462 321 H HA 0.041 4.597 4.556 0.000 0.000 0.292 321 H C 2.160 177.464 175.328 -0.041 0.000 1.049 321 H CA 0.993 57.038 56.048 -0.005 0.000 1.334 321 H CB -0.093 29.694 29.762 0.042 0.000 1.404 321 H HN 0.516 nan 8.280 nan 0.000 0.544 322 A N 0.380 123.245 122.820 0.074 0.000 1.873 322 A HA -0.224 4.096 4.320 0.000 0.000 0.215 322 A C 2.067 179.702 177.584 0.085 0.000 1.186 322 A CA 1.536 53.611 52.037 0.064 0.000 0.616 322 A CB -0.905 17.955 19.000 -0.232 0.000 0.823 322 A HN 0.522 nan 8.150 nan 0.000 0.442 323 Y N -0.571 119.661 120.300 -0.113 0.000 2.133 323 Y HA -0.166 4.384 4.550 0.000 0.000 0.287 323 Y C 1.941 177.473 175.900 -0.614 0.000 1.134 323 Y CA 1.737 59.611 58.100 -0.378 0.000 1.133 323 Y CB -0.583 37.424 38.460 -0.755 0.000 0.987 323 Y HN 0.280 nan 8.280 nan 0.000 0.502 324 F N -0.302 119.274 119.950 -0.624 0.000 2.293 324 F HA -0.021 4.506 4.527 0.000 0.000 0.300 324 F C 2.531 177.956 175.800 -0.625 0.000 1.086 324 F CA 0.805 58.330 58.000 -0.792 0.000 1.375 324 F CB -0.629 37.929 39.000 -0.736 0.000 1.045 324 F HN 0.156 nan 8.300 nan 0.000 0.516 325 G N 0.302 108.847 108.800 -0.424 0.000 2.408 325 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 325 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 325 G C 1.684 176.134 174.900 -0.750 0.000 1.150 325 G CA 0.621 45.323 45.100 -0.663 0.000 0.776 325 G HN 0.327 nan 8.290 nan 0.000 0.542 326 I N 0.248 120.428 120.570 -0.651 0.000 2.252 326 I HA -0.160 4.010 4.170 0.000 0.000 0.245 326 I C 2.644 178.475 176.117 -0.476 0.000 1.102 326 I CA 0.505 61.522 61.300 -0.472 0.000 1.385 326 I CB -0.132 37.750 38.000 -0.197 0.000 1.064 326 I HN 0.179 nan 8.210 nan 0.000 0.414 327 C N 0.726 119.660 119.300 -0.609 0.000 2.435 327 C HA -0.058 4.402 4.460 0.000 0.000 0.279 327 C C 2.897 177.718 174.990 -0.281 0.000 1.321 327 C CA 0.948 59.653 59.018 -0.523 0.000 1.752 327 C CB -1.635 25.572 27.740 -0.889 0.000 1.959 327 C HN 0.663 nan 8.230 nan 0.000 0.500 328 G N 0.212 108.838 108.800 -0.289 0.000 2.402 328 G HA2 -0.131 3.829 3.960 0.000 0.000 0.216 328 G HA3 -0.131 3.829 3.960 0.000 0.000 0.216 328 G C 1.407 176.157 174.900 -0.249 0.000 1.162 328 G CA 0.536 45.500 45.100 -0.228 0.000 0.777 328 G HN 0.344 nan 8.290 nan 0.000 0.539 329 L N 1.248 122.285 121.223 -0.310 0.000 2.083 329 L HA 0.006 4.346 4.340 0.000 0.000 0.209 329 L C 3.062 179.772 176.870 -0.267 0.000 1.083 329 L CA 1.840 56.496 54.840 -0.306 0.000 0.752 329 L CB -0.963 40.830 42.059 -0.443 0.000 0.899 329 L HN 0.332 nan 8.230 nan 0.000 0.433 330 S N -0.848 114.694 115.700 -0.264 0.000 2.383 330 S HA -0.172 4.298 4.470 0.000 0.000 0.229 330 S C 2.011 176.522 174.600 -0.149 0.000 1.030 330 S CA 0.895 58.979 58.200 -0.193 0.000 1.002 330 S CB -0.170 62.921 63.200 -0.182 0.000 0.829 330 S HN 0.253 nan 8.310 nan 0.000 0.467 331 L N 1.198 122.304 121.223 -0.195 0.000 2.187 331 L HA 0.129 4.469 4.340 0.000 0.000 0.213 331 L C 2.032 178.862 176.870 -0.068 0.000 1.100 331 L CA 1.636 56.337 54.840 -0.231 0.000 0.765 331 L CB -0.776 40.928 42.059 -0.592 0.000 0.904 331 L HN 0.491 nan 8.230 nan 0.000 0.437 332 M N -1.392 118.121 119.600 -0.145 0.000 2.419 332 M HA 0.126 4.606 4.480 0.000 0.000 0.252 332 M C -0.389 175.908 176.300 -0.004 0.000 1.143 332 M CA -0.094 55.061 55.300 -0.240 0.000 0.985 332 M CB 0.077 32.320 32.600 -0.595 0.000 1.489 332 M HN 0.037 nan 8.290 nan 0.000 0.484 333 E N 2.308 122.498 120.200 -0.016 0.000 3.702 333 E HA -0.193 4.157 4.350 0.000 0.000 0.159 333 E C -0.320 176.268 176.600 -0.021 0.000 1.963 333 E CA 0.443 56.842 56.400 -0.002 0.000 0.824 333 E CB -0.425 29.309 29.700 0.057 0.000 1.065 333 E HN 0.379 nan 8.360 nan 0.000 0.346 334 E N 1.540 121.689 120.200 -0.085 0.000 2.195 334 E HA 0.369 4.719 4.350 0.000 0.000 0.271 334 E C -0.907 175.648 176.600 -0.075 0.000 0.923 334 E CA -0.640 55.693 56.400 -0.111 0.000 0.790 334 E CB 1.268 30.810 29.700 -0.264 0.000 1.155 334 E HN 0.220 nan 8.360 nan 0.000 0.402 335 S N 2.606 118.294 115.700 -0.019 0.000 2.546 335 S HA 0.370 4.840 4.470 0.000 0.000 0.290 335 S C 1.019 175.651 174.600 0.053 0.000 1.290 335 S CA 0.744 58.959 58.200 0.026 0.000 1.069 335 S CB 0.508 63.740 63.200 0.054 0.000 0.846 335 S HN 0.943 nan 8.310 nan 0.000 0.495 336 G N 2.390 111.227 108.800 0.062 0.000 2.176 336 G HA2 -0.223 3.737 3.960 0.000 0.000 0.253 336 G HA3 -0.223 3.737 3.960 0.000 0.000 0.253 336 G C -0.036 174.924 174.900 0.099 0.000 0.979 336 G CA -0.072 45.094 45.100 0.109 0.000 0.641 336 G HN 0.663 nan 8.290 nan 0.000 0.530 337 I N 0.915 121.494 120.570 0.014 0.000 2.436 337 I HA 0.352 4.522 4.170 0.000 0.000 0.289 337 I C 1.081 177.179 176.117 -0.031 0.000 1.010 337 I CA -1.253 60.032 61.300 -0.024 0.000 1.098 337 I CB 1.532 39.441 38.000 -0.152 0.000 1.266 337 I HN 0.075 nan 8.210 nan 0.000 0.434 338 C N 3.921 123.211 119.300 -0.017 0.000 2.745 338 C HA 0.045 4.505 4.460 0.000 0.000 0.387 338 C C 0.978 175.951 174.990 -0.029 0.000 1.312 338 C CA -0.291 58.719 59.018 -0.014 0.000 2.204 338 C CB -0.156 27.581 27.740 -0.005 0.000 2.686 338 C HN 0.704 nan 8.230 nan 0.000 0.705 339 K N 0.735 121.128 120.400 -0.011 0.000 2.276 339 K HA 0.455 4.775 4.320 0.000 0.000 0.283 339 K C -0.584 176.021 176.600 0.008 0.000 1.044 339 K CA -0.230 56.052 56.287 -0.009 0.000 0.944 339 K CB 0.744 33.246 32.500 0.002 0.000 1.012 339 K HN 0.538 nan 8.250 nan 0.000 0.472 340 V N 4.737 124.657 119.914 0.011 0.000 2.539 340 V HA 0.135 4.255 4.120 0.000 0.000 0.292 340 V C -0.584 175.601 176.094 0.152 0.000 1.045 340 V CA -0.646 61.694 62.300 0.067 0.000 0.945 340 V CB 1.289 33.129 31.823 0.028 0.000 0.993 340 V HN 0.841 nan 8.190 nan 0.000 0.464 341 H N 9.120 128.250 119.070 0.101 0.000 3.004 341 H HA 0.349 4.905 4.556 0.000 0.000 0.267 341 H C -1.706 173.742 175.328 0.200 0.000 1.165 341 H CA -2.146 53.976 56.048 0.124 0.000 1.450 341 H CB 1.294 31.129 29.762 0.122 0.000 1.488 341 H HN 0.517 nan 8.280 nan 0.000 0.478 342 P HA -0.168 nan 4.420 nan 0.000 0.220 342 P C 0.777 178.363 177.300 0.477 0.000 1.144 342 P CA 1.572 64.897 63.100 0.373 0.000 0.800 342 P CB 0.336 32.121 31.700 0.141 0.000 0.772 343 A N -1.372 121.741 122.820 0.488 0.000 2.035 343 A HA 0.128 4.448 4.320 0.000 0.000 0.208 343 A C 1.952 179.646 177.584 0.184 0.000 1.206 343 A CA 0.251 52.456 52.037 0.280 0.000 0.773 343 A CB -0.831 18.277 19.000 0.181 0.000 0.878 343 A HN 0.144 nan 8.150 nan 0.000 0.469 344 L N -0.725 120.380 121.223 -0.197 0.000 2.554 344 L HA 0.261 4.602 4.340 0.000 0.000 0.225 344 L C 0.522 177.531 176.870 0.232 0.000 1.104 344 L CA 0.961 55.696 54.840 -0.174 0.000 0.866 344 L CB -0.632 41.060 42.059 -0.613 0.000 1.047 344 L HN 0.530 nan 8.230 nan 0.000 0.468 345 N N -0.323 118.603 118.700 0.376 0.000 2.756 345 N HA -0.171 4.569 4.740 0.000 0.000 0.248 345 N C -0.769 174.974 175.510 0.388 0.000 1.062 345 N CA 0.964 54.292 53.050 0.464 0.000 0.696 345 N CB -1.184 37.693 38.487 0.650 0.000 0.946 345 N HN 0.267 nan 8.380 nan 0.000 0.548 346 V N -3.327 116.745 119.914 0.263 0.000 3.181 346 V HA 0.847 4.967 4.120 0.000 0.000 0.308 346 V C 0.502 176.689 176.094 0.155 0.000 1.214 346 V CA -0.446 61.970 62.300 0.194 0.000 1.053 346 V CB 1.549 33.468 31.823 0.159 0.000 1.069 346 V HN 0.460 nan 8.190 nan 0.000 0.441 347 S N 0.090 115.842 115.700 0.088 0.000 2.576 347 S HA 0.201 4.671 4.470 0.000 0.000 0.276 347 S C 1.394 176.052 174.600 0.097 0.000 1.339 347 S CA 0.357 58.597 58.200 0.067 0.000 1.039 347 S CB 0.918 64.130 63.200 0.020 0.000 0.902 347 S HN 1.772 nan 8.310 nan 0.000 0.516 348 T N 0.167 114.774 114.554 0.088 0.000 2.737 348 T HA -0.262 4.088 4.350 0.000 0.000 0.269 348 T C 1.781 176.517 174.700 0.060 0.000 1.040 348 T CA 1.301 63.450 62.100 0.082 0.000 1.142 348 T CB -0.569 68.321 68.868 0.037 0.000 0.861 348 T HN 0.752 nan 8.240 nan 0.000 0.456 349 R N 1.249 121.772 120.500 0.038 0.000 2.096 349 R HA -0.149 4.191 4.340 0.000 0.000 0.240 349 R C 2.219 178.532 176.300 0.021 0.000 1.139 349 R CA 2.140 58.254 56.100 0.022 0.000 0.952 349 R CB -0.997 29.311 30.300 0.013 0.000 0.854 349 R HN 0.468 nan 8.270 nan 0.000 0.436 350 T N 0.316 114.888 114.554 0.030 0.000 2.857 350 T HA -0.098 4.252 4.350 0.000 0.000 0.266 350 T C 1.897 176.617 174.700 0.034 0.000 1.048 350 T CA 1.388 63.501 62.100 0.022 0.000 1.139 350 T CB -0.146 68.737 68.868 0.025 0.000 0.874 350 T HN 0.539 nan 8.240 nan 0.000 0.455 351 S N 2.062 117.817 115.700 0.092 0.000 2.383 351 S HA -0.107 4.363 4.470 0.000 0.000 0.227 351 S C 1.875 176.518 174.600 0.072 0.000 1.026 351 S CA 0.924 59.210 58.200 0.144 0.000 0.981 351 S CB -0.409 62.996 63.200 0.341 0.000 0.818 351 S HN 0.572 nan 8.310 nan 0.000 0.472 352 E N 0.998 121.225 120.200 0.047 0.000 2.072 352 E HA -0.071 4.279 4.350 0.000 0.000 0.191 352 E C 2.373 178.949 176.600 -0.040 0.000 0.985 352 E CA 0.634 57.039 56.400 0.009 0.000 0.801 352 E CB -0.209 29.498 29.700 0.012 0.000 0.750 352 E HN 0.331 nan 8.360 nan 0.000 0.452 353 R N 1.338 121.813 120.500 -0.042 0.000 2.127 353 R HA -0.153 4.187 4.340 0.000 0.000 0.238 353 R C 2.241 178.451 176.300 -0.150 0.000 1.134 353 R CA 0.825 56.882 56.100 -0.072 0.000 0.975 353 R CB -0.392 29.879 30.300 -0.049 0.000 0.865 353 R HN 0.211 nan 8.270 nan 0.000 0.447 354 L N 1.104 122.221 121.223 -0.176 0.000 2.056 354 L HA -0.108 4.232 4.340 0.000 0.000 0.207 354 L C 2.912 179.446 176.870 -0.559 0.000 1.078 354 L CA 2.571 57.190 54.840 -0.367 0.000 0.749 354 L CB -0.895 40.997 42.059 -0.279 0.000 0.901 354 L HN 0.135 nan 8.230 nan 0.000 0.433 355 R N -0.076 120.243 120.500 -0.302 0.000 2.096 355 R HA -0.212 4.128 4.340 0.000 0.000 0.240 355 R C 1.905 178.094 176.300 -0.185 0.000 1.139 355 R CA 2.130 58.112 56.100 -0.197 0.000 0.952 355 R CB -2.038 28.235 30.300 -0.046 0.000 0.854 355 R HN 0.626 nan 8.270 nan 0.000 0.436 356 D N 0.669 120.968 120.400 -0.168 0.000 2.084 356 D HA -0.117 4.524 4.640 0.000 0.000 0.194 356 D C 2.037 178.208 176.300 -0.215 0.000 0.990 356 D CA 1.280 55.200 54.000 -0.134 0.000 0.826 356 D CB -0.485 40.258 40.800 -0.096 0.000 0.971 356 D HN 0.360 nan 8.370 nan 0.000 0.453 357 L N 0.258 121.275 121.223 -0.344 0.000 2.189 357 L HA -0.220 4.120 4.340 0.000 0.000 0.214 357 L C 2.192 178.515 176.870 -0.912 0.000 1.097 357 L CA 1.350 55.861 54.840 -0.548 0.000 0.764 357 L CB -0.199 41.510 42.059 -0.583 0.000 0.900 357 L HN 0.225 nan 8.230 nan 0.000 0.436 358 H N -2.212 116.448 119.070 -0.682 0.000 2.436 358 H HA -0.092 4.464 4.556 0.000 0.000 0.294 358 H C 2.137 177.344 175.328 -0.202 0.000 1.048 358 H CA 0.217 55.942 56.048 -0.537 0.000 1.353 358 H CB 0.473 30.047 29.762 -0.313 0.000 1.414 358 H HN 0.321 nan 8.280 nan 0.000 0.536 359 Q N 0.546 120.326 119.800 -0.033 0.000 1.993 359 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 359 Q C 2.482 178.524 176.000 0.070 0.000 0.984 359 Q CA 1.099 56.917 55.803 0.025 0.000 0.837 359 Q CB -0.507 28.232 28.738 0.003 0.000 0.902 359 Q HN 0.303 nan 8.270 nan 0.000 0.423 360 S N 0.249 115.976 115.700 0.044 0.000 2.441 360 S HA -0.162 4.308 4.470 0.000 0.000 0.242 360 S C 1.364 176.163 174.600 0.332 0.000 1.018 360 S CA 1.076 59.363 58.200 0.145 0.000 0.988 360 S CB -0.255 63.025 63.200 0.132 0.000 0.778 360 S HN 0.404 nan 8.310 nan 0.000 0.498 361 W N 1.438 122.766 121.300 0.046 0.000 2.539 361 W HA 0.215 4.875 4.660 0.000 0.000 0.281 361 W C 2.381 178.909 176.519 0.015 0.000 1.220 361 W CA 0.328 57.691 57.345 0.031 0.000 1.332 361 W CB -0.978 28.505 29.460 0.037 0.000 1.095 361 W HN 0.276 nan 8.180 nan 0.000 0.571 362 K N 1.165 121.710 120.400 0.242 0.000 2.699 362 K HA 0.149 4.469 4.320 0.000 0.000 0.205 362 K C 0.644 177.303 176.600 0.098 0.000 1.008 362 K CA 1.366 57.734 56.287 0.135 0.000 1.100 362 K CB -1.621 30.937 32.500 0.097 0.000 0.878 362 K HN 0.305 nan 8.250 nan 0.000 0.496 363 T N 0.000 114.619 114.554 0.108 0.000 3.816 363 T HA 0.000 4.350 4.350 0.000 0.000 0.228 363 T CA 0.000 62.144 62.100 0.074 0.000 1.349 363 T CB 0.000 68.912 68.868 0.072 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658