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 3nzg_1_C DATA FIRST_RESID 5 DATA SEQUENCE LNPAVAPIKS IEFIPVNYQX XXXSQNTVVV KVTDENGVYG LGEADGSPDA DATA SEQUENCE ILAYANIETE HKWLTNITEK AIGRLPIEIN AIWDAXYDAT QWQGXRGLGX DATA SEQUENCE FALSGIDXAL YDLAGKQLGV PAYQLLGGTN KDKVHPYLTL YPAIPXDASL DATA SEQUENCE DVAIKGYAPL LEKAKAHNIR AVKVCVPIKA DWSTKEVAYY LRELRGILGH DATA SEQUENCE DTDXXVDYLY RFTDWYEVAR LLNSIEDLEL YFAEATLQHD DLSGHAKLVE DATA SEQUENCE NTRSRICGAE XSTTRFEAEE WITKGKVHLL QSDYNRCGGL TELRRITEXA DATA SEQUENCE TANNVQVXPH NWKTGITSAA AIHYQFAVGN APYFEYVHPE FCDGELRKYL DATA SEQUENCE VTPEAELVDG GFAKPTAPGL GIDLNQEFLA SL 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.866 176.870 -0.007 0.000 1.165 5 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 5 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 6 N N 1.938 120.633 118.700 -0.009 0.000 2.468 6 N HA 0.172 4.911 4.740 -0.001 0.000 0.265 6 N C -2.023 173.480 175.510 -0.011 0.000 1.199 6 N CA -0.919 52.124 53.050 -0.011 0.000 0.928 6 N CB 1.614 40.092 38.487 -0.014 0.000 1.059 6 N HN 0.298 nan 8.380 nan 0.000 0.467 7 P HA 0.047 nan 4.420 nan 0.000 0.222 7 P C 0.733 178.026 177.300 -0.013 0.000 1.153 7 P CA 0.708 63.802 63.100 -0.010 0.000 0.798 7 P CB 0.229 31.924 31.700 -0.010 0.000 0.796 8 A N -0.438 122.373 122.820 -0.016 0.000 2.015 8 A HA -0.056 4.263 4.320 -0.001 0.000 0.219 8 A C 1.193 178.765 177.584 -0.020 0.000 1.163 8 A CA 0.791 52.816 52.037 -0.021 0.000 0.646 8 A CB -1.218 17.766 19.000 -0.026 0.000 0.806 8 A HN 0.062 nan 8.150 nan 0.000 0.448 9 V N 1.308 121.212 119.914 -0.018 0.000 2.302 9 V HA 0.414 4.533 4.120 -0.001 0.000 0.244 9 V C 0.531 176.618 176.094 -0.011 0.000 1.160 9 V CA 0.176 62.465 62.300 -0.017 0.000 1.127 9 V CB -0.735 31.078 31.823 -0.016 0.000 1.253 9 V HN 0.525 nan 8.190 nan 0.000 0.496 10 A N 7.232 130.046 122.820 -0.010 0.000 2.340 10 A HA 0.907 5.227 4.320 -0.001 0.000 0.331 10 A C -2.671 174.913 177.584 -0.001 0.000 1.140 10 A CA -2.155 49.879 52.037 -0.004 0.000 0.801 10 A CB 1.255 20.252 19.000 -0.004 0.000 1.234 10 A HN 0.545 nan 8.150 nan 0.000 0.469 11 P HA 0.044 nan 4.420 nan 0.000 0.267 11 P C -0.518 176.789 177.300 0.012 0.000 1.195 11 P CA 0.393 63.498 63.100 0.007 0.000 0.773 11 P CB 0.252 31.956 31.700 0.008 0.000 0.837 12 I N 2.555 123.134 120.570 0.015 0.000 2.496 12 I HA 0.029 4.198 4.170 -0.001 0.000 0.285 12 I C 1.672 177.803 176.117 0.024 0.000 1.080 12 I CA 0.386 61.700 61.300 0.022 0.000 1.404 12 I CB 0.633 38.649 38.000 0.027 0.000 1.403 12 I HN 0.486 nan 8.210 nan 0.000 0.539 13 K N 3.849 124.266 120.400 0.028 0.000 2.287 13 K HA 0.094 4.413 4.320 -0.001 0.000 0.199 13 K C 0.225 176.843 176.600 0.029 0.000 1.061 13 K CA 0.454 56.756 56.287 0.026 0.000 0.976 13 K CB 0.498 33.014 32.500 0.026 0.000 0.898 13 K HN 0.774 nan 8.250 nan 0.000 0.492 14 S N -0.447 115.275 115.700 0.036 0.000 2.570 14 S HA 0.514 4.983 4.470 -0.001 0.000 0.270 14 S C -0.868 173.761 174.600 0.047 0.000 1.149 14 S CA -1.042 57.182 58.200 0.040 0.000 0.837 14 S CB 1.524 64.745 63.200 0.034 0.000 1.124 14 S HN 0.094 nan 8.310 nan 0.000 0.465 15 I N 1.184 121.793 120.570 0.066 0.000 2.447 15 I HA 0.480 4.649 4.170 -0.001 0.000 0.287 15 I C -0.478 175.711 176.117 0.120 0.000 1.023 15 I CA -0.251 61.098 61.300 0.081 0.000 1.083 15 I CB 1.945 40.029 38.000 0.139 0.000 1.245 15 I HN 0.751 nan 8.210 nan 0.000 0.434 16 E N 5.895 126.123 120.200 0.047 0.000 2.187 16 E HA 0.484 4.833 4.350 -0.001 0.000 0.268 16 E C -1.613 175.002 176.600 0.025 0.000 0.896 16 E CA -0.694 55.758 56.400 0.086 0.000 0.766 16 E CB 1.783 31.494 29.700 0.018 0.000 1.142 16 E HN 0.347 nan 8.360 nan 0.000 0.408 17 F N 4.570 124.532 119.950 0.019 0.000 2.385 17 F HA 0.411 4.937 4.527 -0.001 0.000 0.360 17 F C 0.077 175.892 175.800 0.023 0.000 1.122 17 F CA -0.593 57.427 58.000 0.034 0.000 1.090 17 F CB 0.890 39.921 39.000 0.052 0.000 1.150 17 F HN 0.312 nan 8.300 nan 0.000 0.472 18 I N 6.072 126.702 120.570 0.101 0.000 2.437 18 I HA 0.300 4.470 4.170 -0.001 0.000 0.279 18 I C -2.483 173.679 176.117 0.075 0.000 1.028 18 I CA -2.184 59.158 61.300 0.069 0.000 1.142 18 I CB 1.162 39.167 38.000 0.010 0.000 1.266 18 I HN 0.279 nan 8.210 nan 0.000 0.461 19 P HA 0.118 nan 4.420 nan 0.000 0.269 19 P C -0.847 176.491 177.300 0.062 0.000 1.215 19 P CA -0.089 63.063 63.100 0.086 0.000 0.780 19 P CB 0.826 32.575 31.700 0.081 0.000 0.898 20 V N 3.300 123.256 119.914 0.070 0.000 2.559 20 V HA 0.299 4.418 4.120 -0.001 0.000 0.289 20 V C -0.551 175.599 176.094 0.093 0.000 1.036 20 V CA -0.589 61.753 62.300 0.070 0.000 0.887 20 V CB 1.427 33.300 31.823 0.083 0.000 1.022 20 V HN 0.503 nan 8.190 nan 0.000 0.442 21 N N 2.909 121.657 118.700 0.080 0.000 2.370 21 N HA 0.581 5.320 4.740 -0.001 0.000 0.303 21 N C -1.527 174.066 175.510 0.138 0.000 1.103 21 N CA -0.468 52.643 53.050 0.102 0.000 0.848 21 N CB 3.009 41.531 38.487 0.059 0.000 1.235 21 N HN 0.684 nan 8.380 nan 0.000 0.496 22 Y N 0.419 120.746 120.300 0.044 0.000 2.425 22 Y HA 0.407 4.956 4.550 -0.001 0.000 0.344 22 Y C 0.102 176.033 175.900 0.050 0.000 0.969 22 Y CA -0.348 57.782 58.100 0.051 0.000 1.052 22 Y CB 0.856 39.393 38.460 0.127 0.000 1.215 22 Y HN 0.589 nan 8.280 nan 0.000 0.451 29 Q N 1.067 120.978 119.800 0.185 0.000 2.271 29 Q HA 0.672 5.011 4.340 -0.001 0.000 0.258 29 Q C -0.503 175.593 176.000 0.160 0.000 0.936 29 Q CA -0.877 55.027 55.803 0.168 0.000 0.909 29 Q CB 1.356 30.191 28.738 0.161 0.000 1.253 29 Q HN 0.814 nan 8.270 nan 0.000 0.440 30 N N -0.216 118.557 118.700 0.123 0.000 2.825 30 N HA 0.656 5.396 4.740 -0.001 0.000 0.253 30 N C -1.279 174.285 175.510 0.089 0.000 1.426 30 N CA -0.679 52.437 53.050 0.111 0.000 0.851 30 N CB 2.331 40.879 38.487 0.102 0.000 1.470 30 N HN 0.492 nan 8.380 nan 0.000 0.517 31 T N -1.430 113.175 114.554 0.085 0.000 2.677 31 T HA 0.560 4.909 4.350 -0.001 0.000 0.305 31 T C -2.181 172.569 174.700 0.083 0.000 1.569 31 T CA -0.547 61.596 62.100 0.072 0.000 0.984 31 T CB 0.970 69.867 68.868 0.048 0.000 1.629 31 T HN 0.434 nan 8.240 nan 0.000 0.494 32 V N 2.555 122.520 119.914 0.085 0.000 2.447 32 V HA 0.496 4.615 4.120 -0.001 0.000 0.292 32 V C -0.038 176.079 176.094 0.039 0.000 1.021 32 V CA -0.736 61.626 62.300 0.103 0.000 0.850 32 V CB 1.454 33.396 31.823 0.197 0.000 1.005 32 V HN 0.781 nan 8.190 nan 0.000 0.426 33 V N 5.623 125.540 119.914 0.005 0.000 2.583 33 V HA 0.332 4.451 4.120 -0.001 0.000 0.287 33 V C 0.123 176.121 176.094 -0.160 0.000 1.051 33 V CA -0.268 61.999 62.300 -0.054 0.000 1.010 33 V CB 1.738 33.538 31.823 -0.040 0.000 0.988 33 V HN 0.584 nan 8.190 nan 0.000 0.478 34 V N 5.240 125.018 119.914 -0.226 0.000 2.334 34 V HA 0.390 4.509 4.120 -0.001 0.000 0.281 34 V C 0.014 175.971 176.094 -0.228 0.000 1.016 34 V CA -0.749 61.305 62.300 -0.410 0.000 0.832 34 V CB 1.363 32.876 31.823 -0.517 0.000 0.999 34 V HN 0.838 nan 8.190 nan 0.000 0.439 35 K N 4.126 124.404 120.400 -0.202 0.000 2.293 35 K HA 0.667 4.986 4.320 -0.001 0.000 0.267 35 K C -1.283 175.278 176.600 -0.065 0.000 1.010 35 K CA -0.444 55.767 56.287 -0.126 0.000 0.875 35 K CB 1.661 34.055 32.500 -0.177 0.000 1.106 35 K HN 0.494 nan 8.250 nan 0.000 0.450 36 V N 4.106 124.021 119.914 0.002 0.000 2.357 36 V HA 0.277 4.397 4.120 -0.001 0.000 0.284 36 V C -0.404 175.745 176.094 0.091 0.000 1.018 36 V CA -0.644 61.676 62.300 0.035 0.000 0.841 36 V CB 1.512 33.354 31.823 0.031 0.000 0.991 36 V HN 0.808 nan 8.190 nan 0.000 0.437 37 T N 4.070 118.673 114.554 0.082 0.000 2.823 37 T HA 0.473 4.822 4.350 -0.001 0.000 0.279 37 T C -0.265 174.475 174.700 0.067 0.000 0.998 37 T CA -0.641 61.526 62.100 0.110 0.000 0.994 37 T CB 1.583 70.513 68.868 0.105 0.000 0.960 37 T HN 0.857 nan 8.240 nan 0.000 0.448 38 D N 0.976 121.410 120.400 0.056 0.000 2.511 38 D HA 0.152 4.791 4.640 -0.001 0.000 0.276 38 D C 0.792 177.109 176.300 0.028 0.000 1.220 38 D CA -0.724 53.294 54.000 0.031 0.000 1.077 38 D CB 0.563 41.372 40.800 0.014 0.000 1.126 38 D HN 0.462 nan 8.370 nan 0.000 0.583 39 E N -1.148 119.062 120.200 0.017 0.000 2.511 39 E HA 0.006 4.355 4.350 -0.001 0.000 0.196 39 E C 0.209 176.817 176.600 0.013 0.000 1.066 39 E CA 0.160 56.569 56.400 0.015 0.000 0.871 39 E CB -0.118 29.588 29.700 0.010 0.000 0.863 39 E HN 0.322 nan 8.360 nan 0.000 0.520 40 N N -0.270 118.436 118.700 0.011 0.000 2.187 40 N HA 0.061 4.800 4.740 -0.001 0.000 0.212 40 N C 0.962 176.478 175.510 0.011 0.000 1.152 40 N CA 0.642 53.695 53.050 0.005 0.000 0.872 40 N CB 1.654 40.138 38.487 -0.006 0.000 1.025 40 N HN 0.256 nan 8.380 nan 0.000 0.514 41 G N 0.263 109.080 108.800 0.028 0.000 2.199 41 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.254 41 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.254 41 G C 0.129 175.063 174.900 0.056 0.000 0.982 41 G CA 0.251 45.384 45.100 0.055 0.000 0.632 41 G HN 0.181 nan 8.290 nan 0.000 0.529 42 V N 1.830 121.740 119.914 -0.006 0.000 2.637 42 V HA 0.537 4.657 4.120 -0.001 0.000 0.296 42 V C 0.413 176.493 176.094 -0.023 0.000 1.046 42 V CA 0.385 62.627 62.300 -0.097 0.000 1.066 42 V CB 0.211 31.976 31.823 -0.097 0.000 0.968 42 V HN 0.660 nan 8.190 nan 0.000 0.483 43 Y N 2.111 122.405 120.300 -0.009 0.000 2.602 43 Y HA 0.945 5.494 4.550 -0.001 0.000 0.342 43 Y C 0.082 175.973 175.900 -0.015 0.000 1.029 43 Y CA -1.549 56.544 58.100 -0.012 0.000 1.080 43 Y CB 1.742 40.196 38.460 -0.010 0.000 1.284 43 Y HN 0.691 nan 8.280 nan 0.000 0.485 44 G N 1.467 110.429 108.800 0.270 0.000 2.524 44 G HA2 0.659 4.618 3.960 -0.001 0.000 0.310 44 G HA3 0.659 4.618 3.960 -0.001 0.000 0.310 44 G C -2.011 172.985 174.900 0.160 0.000 1.279 44 G CA -1.186 44.014 45.100 0.167 0.000 0.974 44 G HN 0.740 nan 8.290 nan 0.000 0.484 45 L N 0.847 122.140 121.223 0.117 0.000 2.346 45 L HA 0.866 5.206 4.340 -0.001 0.000 0.274 45 L C 0.640 177.522 176.870 0.019 0.000 1.007 45 L CA -0.698 54.171 54.840 0.048 0.000 0.818 45 L CB 2.285 44.376 42.059 0.053 0.000 1.284 45 L HN 0.769 nan 8.230 nan 0.000 0.424 46 G N 1.253 110.044 108.800 -0.015 0.000 2.788 46 G HA2 0.721 4.680 3.960 -0.001 0.000 0.293 46 G HA3 0.721 4.680 3.960 -0.001 0.000 0.293 46 G C -1.908 172.973 174.900 -0.032 0.000 1.392 46 G CA -0.360 44.737 45.100 -0.005 0.000 0.810 46 G HN 0.650 nan 8.290 nan 0.000 0.508 47 E N -1.574 118.622 120.200 -0.006 0.000 2.372 47 E HA 0.662 5.012 4.350 -0.001 0.000 0.279 47 E C -1.061 175.568 176.600 0.048 0.000 0.946 47 E CA -1.138 55.261 56.400 -0.001 0.000 0.769 47 E CB 1.996 31.695 29.700 -0.002 0.000 1.230 47 E HN 0.926 nan 8.360 nan 0.000 0.442 48 A N 1.978 124.846 122.820 0.081 0.000 2.355 48 A HA 0.522 4.842 4.320 -0.001 0.000 0.324 48 A C -0.836 176.805 177.584 0.095 0.000 1.117 48 A CA -0.676 51.448 52.037 0.145 0.000 0.785 48 A CB 1.601 20.772 19.000 0.285 0.000 1.254 48 A HN 0.719 nan 8.150 nan 0.000 0.453 49 D N 0.021 120.416 120.400 -0.009 0.000 2.451 49 D HA 0.580 5.219 4.640 -0.001 0.000 0.259 49 D C 0.642 176.920 176.300 -0.036 0.000 1.201 49 D CA 1.324 55.230 54.000 -0.156 0.000 1.028 49 D CB 1.125 41.628 40.800 -0.495 0.000 1.095 49 D HN 1.529 nan 8.370 nan 0.000 0.539 50 G N -0.324 108.463 108.800 -0.022 0.000 2.662 50 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.686 50 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.686 50 G C -0.523 174.469 174.900 0.153 0.000 1.271 50 G CA -0.234 44.983 45.100 0.194 0.000 0.816 50 G HN 0.505 nan 8.290 nan 0.000 0.608 51 S N 2.432 118.216 115.700 0.141 0.000 2.737 51 S HA 0.218 4.688 4.470 -0.001 0.000 0.315 51 S C -0.578 174.089 174.600 0.112 0.000 1.236 51 S CA 0.401 58.664 58.200 0.105 0.000 1.093 51 S CB 0.955 64.206 63.200 0.084 0.000 0.832 51 S HN 0.525 nan 8.310 nan 0.000 0.507 52 P HA -0.205 nan 4.420 nan 0.000 0.216 52 P C 1.284 178.646 177.300 0.103 0.000 1.154 52 P CA 1.297 64.465 63.100 0.113 0.000 0.865 52 P CB 0.042 31.800 31.700 0.096 0.000 0.789 53 D N -0.756 119.692 120.400 0.079 0.000 2.183 53 D HA -0.079 4.560 4.640 -0.001 0.000 0.203 53 D C 1.782 178.119 176.300 0.062 0.000 0.969 53 D CA 1.340 55.377 54.000 0.063 0.000 0.842 53 D CB -1.071 39.758 40.800 0.048 0.000 0.957 53 D HN 0.127 nan 8.370 nan 0.000 0.484 54 A N 1.180 124.042 122.820 0.070 0.000 1.898 54 A HA -0.051 4.268 4.320 -0.001 0.000 0.216 54 A C 2.345 179.978 177.584 0.082 0.000 1.181 54 A CA 0.855 52.931 52.037 0.066 0.000 0.620 54 A CB -0.469 18.567 19.000 0.061 0.000 0.819 54 A HN 0.149 nan 8.150 nan 0.000 0.442 55 I N -0.479 120.153 120.570 0.105 0.000 2.179 55 I HA -0.193 3.977 4.170 -0.001 0.000 0.242 55 I C 2.459 178.605 176.117 0.048 0.000 1.088 55 I CA 1.204 62.576 61.300 0.120 0.000 1.357 55 I CB -1.321 36.804 38.000 0.208 0.000 1.051 55 I HN 0.355 nan 8.210 nan 0.000 0.409 56 L N 1.527 122.789 121.223 0.064 0.000 2.013 56 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 56 L C 2.617 179.461 176.870 -0.044 0.000 1.073 56 L CA 2.361 57.212 54.840 0.018 0.000 0.753 56 L CB -0.864 41.233 42.059 0.063 0.000 0.890 56 L HN 0.212 nan 8.230 nan 0.000 0.432 57 A N -1.544 121.275 122.820 -0.001 0.000 1.883 57 A HA -0.308 4.011 4.320 -0.001 0.000 0.217 57 A C 2.322 179.882 177.584 -0.040 0.000 1.186 57 A CA 1.919 53.948 52.037 -0.014 0.000 0.624 57 A CB -1.291 17.720 19.000 0.018 0.000 0.822 57 A HN 0.650 nan 8.150 nan 0.000 0.444 58 Y N 0.657 120.883 120.300 -0.124 0.000 2.181 58 Y HA -0.104 4.446 4.550 -0.001 0.000 0.288 58 Y C 2.552 178.313 175.900 -0.231 0.000 1.146 58 Y CA 1.282 59.293 58.100 -0.148 0.000 1.164 58 Y CB -0.469 37.910 38.460 -0.136 0.000 0.982 58 Y HN 0.295 nan 8.280 nan 0.000 0.515 59 A N -0.157 122.452 122.820 -0.351 0.000 2.121 59 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 59 A C 1.600 178.955 177.584 -0.382 0.000 1.154 59 A CA 1.547 53.217 52.037 -0.611 0.000 0.679 59 A CB -0.452 17.810 19.000 -1.231 0.000 0.795 59 A HN 0.587 nan 8.150 nan 0.000 0.458 60 N N 0.043 118.585 118.700 -0.263 0.000 2.214 60 N HA 0.179 4.918 4.740 -0.001 0.000 0.214 60 N C 0.462 175.873 175.510 -0.166 0.000 1.132 60 N CA -0.039 52.909 53.050 -0.171 0.000 0.856 60 N CB 0.182 38.608 38.487 -0.100 0.000 1.020 60 N HN 0.749 nan 8.380 nan 0.000 0.509 61 I N -1.075 119.355 120.570 -0.233 0.000 3.060 61 I HA 0.149 4.319 4.170 -0.001 0.000 0.285 61 I C 0.557 176.572 176.117 -0.171 0.000 1.190 61 I CA -0.396 60.785 61.300 -0.198 0.000 1.363 61 I CB 0.679 38.525 38.000 -0.257 0.000 1.396 61 I HN -0.101 nan 8.210 nan 0.000 0.607 62 E N 2.494 122.614 120.200 -0.134 0.000 2.231 62 E HA 0.287 4.636 4.350 -0.001 0.000 0.277 62 E C -0.785 175.734 176.600 -0.135 0.000 0.999 62 E CA -0.734 55.596 56.400 -0.116 0.000 0.827 62 E CB 1.364 31.012 29.700 -0.086 0.000 1.101 62 E HN 0.737 nan 8.360 nan 0.000 0.393 63 T N 3.632 118.107 114.554 -0.132 0.000 2.940 63 T HA 0.028 4.377 4.350 -0.001 0.000 0.309 63 T C 0.488 175.097 174.700 -0.152 0.000 1.056 63 T CA 0.217 62.226 62.100 -0.152 0.000 1.137 63 T CB 0.751 69.543 68.868 -0.126 0.000 0.976 63 T HN 0.587 nan 8.240 nan 0.000 0.547 64 E N 0.501 120.572 120.200 -0.216 0.000 2.444 64 E HA 0.120 4.469 4.350 -0.001 0.000 0.209 64 E C -0.180 176.344 176.600 -0.126 0.000 0.806 64 E CA -0.030 56.261 56.400 -0.182 0.000 1.240 64 E CB 0.680 30.257 29.700 -0.205 0.000 1.238 64 E HN 0.912 nan 8.360 nan 0.000 0.591 65 H N -2.392 116.587 119.070 -0.153 0.000 2.904 65 H HA 0.248 4.803 4.556 -0.001 0.000 0.290 65 H C 0.149 175.329 175.328 -0.246 0.000 1.437 65 H CA -0.728 55.200 56.048 -0.201 0.000 1.147 65 H CB 0.671 30.301 29.762 -0.219 0.000 1.824 65 H HN -0.190 nan 8.280 nan 0.000 0.505 66 K N -0.380 119.915 120.400 -0.175 0.000 2.184 66 K HA -0.189 4.130 4.320 -0.001 0.000 0.210 66 K C 0.075 176.431 176.600 -0.407 0.000 1.048 66 K CA 2.559 58.566 56.287 -0.467 0.000 0.931 66 K CB -0.106 31.800 32.500 -0.990 0.000 0.718 66 K HN 0.660 nan 8.250 nan 0.000 0.465 67 W N -0.375 121.080 121.300 0.259 0.000 3.220 67 W HA 0.185 4.844 4.660 -0.001 0.000 0.328 67 W C 0.076 176.601 176.519 0.010 0.000 1.205 67 W CA -0.516 56.942 57.345 0.187 0.000 1.773 67 W CB 0.123 29.815 29.460 0.386 0.000 1.086 67 W HN 0.014 nan 8.180 nan 0.000 0.622 68 L N 1.878 122.934 121.223 -0.277 0.000 2.556 68 L HA 0.406 4.746 4.340 -0.001 0.000 0.243 68 L C -0.257 176.435 176.870 -0.296 0.000 1.331 68 L CA 0.239 54.862 54.840 -0.361 0.000 0.927 68 L CB 0.203 41.763 42.059 -0.831 0.000 1.219 68 L HN -0.318 nan 8.230 nan 0.000 0.490 69 T N 1.053 115.509 114.554 -0.163 0.000 2.925 69 T HA 0.320 4.670 4.350 -0.001 0.000 0.285 69 T C -0.047 174.551 174.700 -0.170 0.000 1.021 69 T CA -0.642 61.367 62.100 -0.152 0.000 1.042 69 T CB 1.596 70.403 68.868 -0.102 0.000 1.037 69 T HN 0.394 nan 8.240 nan 0.000 0.481 70 N N 1.548 120.143 118.700 -0.174 0.000 2.483 70 N HA -0.020 4.720 4.740 -0.001 0.000 0.264 70 N C 1.078 176.490 175.510 -0.163 0.000 1.197 70 N CA -0.188 52.731 53.050 -0.218 0.000 0.927 70 N CB 0.597 38.983 38.487 -0.168 0.000 1.065 70 N HN 0.583 nan 8.380 nan 0.000 0.461 71 I N 4.167 124.616 120.570 -0.202 0.000 2.264 71 I HA -0.267 3.902 4.170 -0.001 0.000 0.248 71 I C 2.305 178.429 176.117 0.011 0.000 1.111 71 I CA 1.943 63.207 61.300 -0.060 0.000 1.382 71 I CB -0.502 37.514 38.000 0.028 0.000 1.060 71 I HN 0.808 nan 8.210 nan 0.000 0.418 72 T N -2.983 111.578 114.554 0.012 0.000 3.055 72 T HA -0.107 4.243 4.350 -0.001 0.000 0.265 72 T C 1.793 176.513 174.700 0.032 0.000 1.111 72 T CA 1.065 63.208 62.100 0.071 0.000 1.118 72 T CB -0.495 68.436 68.868 0.106 0.000 0.909 72 T HN 0.558 nan 8.240 nan 0.000 0.501 73 E N 1.053 121.250 120.200 -0.006 0.000 2.085 73 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 73 E C 1.682 178.283 176.600 0.001 0.000 0.994 73 E CA 0.904 57.297 56.400 -0.012 0.000 0.801 73 E CB 0.059 29.735 29.700 -0.039 0.000 0.743 73 E HN 0.259 nan 8.360 nan 0.000 0.453 74 K N -0.461 119.943 120.400 0.007 0.000 2.525 74 K HA 0.029 4.348 4.320 -0.001 0.000 0.192 74 K C 1.259 177.879 176.600 0.034 0.000 1.029 74 K CA 0.684 56.983 56.287 0.020 0.000 1.029 74 K CB 0.580 33.096 32.500 0.027 0.000 0.814 74 K HN 0.153 nan 8.250 nan 0.000 0.503 75 A N 0.669 123.512 122.820 0.039 0.000 2.035 75 A HA 0.129 4.449 4.320 -0.001 0.000 0.208 75 A C 0.842 178.448 177.584 0.037 0.000 1.206 75 A CA -0.158 51.907 52.037 0.046 0.000 0.773 75 A CB 0.195 19.230 19.000 0.059 0.000 0.878 75 A HN 0.046 nan 8.150 nan 0.000 0.469 76 I N 0.834 121.424 120.570 0.033 0.000 2.752 76 I HA 0.233 4.402 4.170 -0.001 0.000 0.289 76 I C 1.642 177.771 176.117 0.020 0.000 1.197 76 I CA 1.842 63.158 61.300 0.027 0.000 1.432 76 I CB -0.612 37.402 38.000 0.022 0.000 1.359 76 I HN 0.595 nan 8.210 nan 0.000 0.571 77 G N 5.968 114.779 108.800 0.018 0.000 2.199 77 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.254 77 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.254 77 G C 0.533 175.442 174.900 0.015 0.000 0.982 77 G CA -0.364 44.744 45.100 0.014 0.000 0.632 77 G HN 0.488 nan 8.290 nan 0.000 0.529 78 R N -0.038 120.474 120.500 0.019 0.000 2.532 78 R HA 0.604 4.943 4.340 -0.001 0.000 0.272 78 R C 0.684 176.992 176.300 0.013 0.000 1.032 78 R CA -0.902 55.209 56.100 0.019 0.000 1.089 78 R CB 0.422 30.739 30.300 0.027 0.000 1.098 78 R HN 0.281 nan 8.270 nan 0.000 0.526 79 L N 4.632 125.860 121.223 0.009 0.000 2.315 79 L HA 0.175 4.514 4.340 -0.001 0.000 0.283 79 L C -0.990 175.876 176.870 -0.007 0.000 1.089 79 L CA -1.457 53.383 54.840 0.000 0.000 0.833 79 L CB 0.830 42.888 42.059 -0.002 0.000 1.170 79 L HN 0.281 nan 8.230 nan 0.000 0.442 80 P HA -0.196 nan 4.420 nan 0.000 0.229 80 P C 1.354 178.615 177.300 -0.064 0.000 1.150 80 P CA 1.159 64.240 63.100 -0.032 0.000 0.765 80 P CB 0.332 32.015 31.700 -0.029 0.000 0.783 81 I N 0.137 120.677 120.570 -0.050 0.000 2.761 81 I HA -0.053 4.116 4.170 -0.001 0.000 0.261 81 I C 0.908 176.991 176.117 -0.056 0.000 1.198 81 I CA 0.751 62.014 61.300 -0.061 0.000 1.482 81 I CB -0.081 37.896 38.000 -0.038 0.000 1.100 81 I HN -0.149 nan 8.210 nan 0.000 0.445 82 E N 1.507 121.690 120.200 -0.029 0.000 2.452 82 E HA 0.066 4.415 4.350 -0.001 0.000 0.293 82 E C 1.448 178.050 176.600 0.002 0.000 1.535 82 E CA -0.162 56.235 56.400 -0.005 0.000 1.816 82 E CB 0.064 29.773 29.700 0.016 0.000 1.494 82 E HN 0.582 nan 8.360 nan 0.000 0.464 83 I N 0.970 121.510 120.570 -0.050 0.000 2.151 83 I HA -0.370 3.800 4.170 -0.001 0.000 0.243 83 I C 2.495 178.667 176.117 0.092 0.000 1.080 83 I CA 1.138 62.409 61.300 -0.048 0.000 1.339 83 I CB -0.430 37.400 38.000 -0.283 0.000 1.039 83 I HN 0.389 nan 8.210 nan 0.000 0.409 84 N N 1.335 120.080 118.700 0.076 0.000 2.142 84 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 84 N C 1.965 177.578 175.510 0.172 0.000 1.023 84 N CA 1.585 54.701 53.050 0.110 0.000 0.852 84 N CB 0.088 38.602 38.487 0.045 0.000 0.998 84 N HN 0.362 nan 8.380 nan 0.000 0.424 85 A N 1.373 124.269 122.820 0.127 0.000 1.898 85 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 85 A C 2.263 179.950 177.584 0.172 0.000 1.181 85 A CA 0.798 52.916 52.037 0.135 0.000 0.620 85 A CB -0.563 18.490 19.000 0.088 0.000 0.819 85 A HN 0.348 nan 8.150 nan 0.000 0.442 86 I N -2.701 117.963 120.570 0.157 0.000 2.394 86 I HA -0.254 3.915 4.170 -0.001 0.000 0.251 86 I C 2.364 178.612 176.117 0.218 0.000 1.136 86 I CA 1.279 62.670 61.300 0.151 0.000 1.425 86 I CB -0.266 37.798 38.000 0.106 0.000 1.079 86 I HN 0.677 nan 8.210 nan 0.000 0.425 87 W N 2.336 123.695 121.300 0.098 0.000 2.355 87 W HA -0.222 4.437 4.660 -0.001 0.000 0.309 87 W C 2.187 178.809 176.519 0.172 0.000 1.206 87 W CA 1.580 59.006 57.345 0.136 0.000 1.284 87 W CB -0.001 29.528 29.460 0.115 0.000 1.145 87 W HN 0.083 nan 8.180 nan 0.000 0.502 88 D N 0.415 121.164 120.400 0.583 0.000 2.117 88 D HA -0.079 4.560 4.640 -0.001 0.000 0.197 88 D C 1.375 177.868 176.300 0.321 0.000 0.987 88 D CA 1.462 55.754 54.000 0.486 0.000 0.829 88 D CB -1.011 39.992 40.800 0.338 0.000 0.961 88 D HN 0.107 nan 8.370 nan 0.000 0.460 92 D N 1.170 121.734 120.400 0.274 0.000 2.149 92 D HA -0.101 4.539 4.640 -0.001 0.000 0.198 92 D C 1.874 178.287 176.300 0.188 0.000 0.990 92 D CA 1.793 55.947 54.000 0.257 0.000 0.839 92 D CB 0.005 40.969 40.800 0.273 0.000 0.948 92 D HN 0.433 nan 8.370 nan 0.000 0.460 93 A N -0.856 122.025 122.820 0.102 0.000 2.238 93 A HA 0.119 4.439 4.320 -0.001 0.000 0.208 93 A C 1.646 179.264 177.584 0.056 0.000 1.177 93 A CA 1.252 53.322 52.037 0.056 0.000 0.804 93 A CB -0.272 18.730 19.000 0.004 0.000 0.823 93 A HN 0.361 nan 8.150 nan 0.000 0.482 94 T N -4.117 110.460 114.554 0.038 0.000 3.200 94 T HA 0.199 4.549 4.350 -0.001 0.000 0.284 94 T C 1.076 175.792 174.700 0.026 0.000 1.009 94 T CA -0.049 62.074 62.100 0.038 0.000 0.907 94 T CB 0.028 68.908 68.868 0.020 0.000 1.120 94 T HN 0.417 nan 8.240 nan 0.000 0.534 95 Q N 0.026 119.857 119.800 0.050 0.000 2.181 95 Q HA -0.092 4.247 4.340 -0.001 0.000 0.205 95 Q C 1.598 177.633 176.000 0.058 0.000 0.980 95 Q CA 1.358 57.138 55.803 -0.039 0.000 0.862 95 Q CB -0.157 28.593 28.738 0.020 0.000 0.905 95 Q HN 0.715 nan 8.270 nan 0.000 0.429 96 W N 1.704 123.044 121.300 0.067 0.000 2.350 96 W HA -0.208 4.452 4.660 -0.001 0.000 0.289 96 W C 1.095 177.627 176.519 0.021 0.000 1.215 96 W CA 1.983 59.371 57.345 0.073 0.000 1.236 96 W CB 0.326 29.908 29.460 0.203 0.000 1.130 96 W HN 0.341 nan 8.180 nan 0.000 0.541 97 Q N -1.258 118.604 119.800 0.104 0.000 1.983 97 Q HA 0.313 4.652 4.340 -0.001 0.000 0.204 97 Q C 0.149 176.147 176.000 -0.004 0.000 0.789 97 Q CA 0.120 55.937 55.803 0.024 0.000 1.007 97 Q CB 0.197 29.030 28.738 0.159 0.000 1.229 97 Q HN -0.015 nan 8.270 nan 0.000 0.431 101 G N 0.558 109.252 108.800 -0.176 0.000 2.552 101 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.265 101 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.265 101 G C 0.649 174.983 174.900 -0.943 0.000 1.234 101 G CA 0.438 45.293 45.100 -0.408 0.000 0.944 101 G HN 0.546 nan 8.290 nan 0.000 0.568 102 L N 1.866 122.504 121.223 -0.976 0.000 2.021 102 L HA 0.174 4.513 4.340 -0.001 0.000 0.215 102 L C 2.480 178.801 176.870 -0.916 0.000 1.074 102 L CA 3.311 57.469 54.840 -1.137 0.000 0.760 102 L CB -1.102 40.624 42.059 -0.554 0.000 0.889 102 L HN 1.519 nan 8.230 nan 0.000 0.433 106 A N 1.065 124.068 122.820 0.304 0.000 1.898 106 A HA -0.071 4.248 4.320 -0.001 0.000 0.216 106 A C 2.127 179.945 177.584 0.389 0.000 1.181 106 A CA 1.889 54.178 52.037 0.420 0.000 0.620 106 A CB -0.877 18.327 19.000 0.340 0.000 0.819 106 A HN 0.381 nan 8.150 nan 0.000 0.442 107 L N -0.279 121.088 121.223 0.240 0.000 2.046 107 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 107 L C 2.568 179.543 176.870 0.175 0.000 1.077 107 L CA 1.957 56.883 54.840 0.144 0.000 0.747 107 L CB -0.237 41.808 42.059 -0.023 0.000 0.896 107 L HN 0.349 nan 8.230 nan 0.000 0.432 108 S N 0.080 115.920 115.700 0.233 0.000 2.353 108 S HA -0.176 4.293 4.470 -0.001 0.000 0.222 108 S C 1.899 176.633 174.600 0.224 0.000 1.035 108 S CA 1.256 59.615 58.200 0.265 0.000 1.025 108 S CB -1.089 62.272 63.200 0.268 0.000 0.902 108 S HN 0.731 nan 8.310 nan 0.000 0.440 109 G N 1.742 110.660 108.800 0.197 0.000 2.476 109 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 109 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 109 G C 1.344 176.277 174.900 0.055 0.000 1.164 109 G CA 1.028 46.188 45.100 0.100 0.000 0.768 109 G HN 0.503 nan 8.290 nan 0.000 0.560 110 I N 0.697 121.320 120.570 0.088 0.000 2.252 110 I HA -0.028 4.142 4.170 -0.001 0.000 0.245 110 I C 1.630 177.827 176.117 0.133 0.000 1.102 110 I CA 0.421 61.766 61.300 0.075 0.000 1.385 110 I CB -0.355 37.721 38.000 0.126 0.000 1.064 110 I HN 0.187 nan 8.210 nan 0.000 0.414 114 L N -0.574 120.690 121.223 0.069 0.000 2.131 114 L HA -0.152 4.188 4.340 -0.001 0.000 0.210 114 L C 2.367 179.172 176.870 -0.108 0.000 1.092 114 L CA 1.632 56.452 54.840 -0.034 0.000 0.759 114 L CB -0.498 41.508 42.059 -0.088 0.000 0.903 114 L HN 0.596 nan 8.230 nan 0.000 0.435 115 Y N -0.357 119.959 120.300 0.027 0.000 2.263 115 Y HA -0.239 4.310 4.550 -0.001 0.000 0.292 115 Y C 2.395 178.267 175.900 -0.047 0.000 1.130 115 Y CA 1.506 59.604 58.100 -0.004 0.000 1.179 115 Y CB -0.222 38.239 38.460 0.002 0.000 0.998 115 Y HN 0.208 nan 8.280 nan 0.000 0.532 116 D N -0.152 120.305 120.400 0.094 0.000 2.103 116 D HA -0.156 4.483 4.640 -0.001 0.000 0.199 116 D C 2.094 178.391 176.300 -0.005 0.000 0.978 116 D CA 0.839 54.849 54.000 0.018 0.000 0.829 116 D CB -0.267 40.551 40.800 0.029 0.000 0.981 116 D HN 0.164 nan 8.370 nan 0.000 0.464 117 L N 0.741 121.967 121.223 0.005 0.000 1.994 117 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 117 L C 2.204 179.052 176.870 -0.037 0.000 1.071 117 L CA 2.367 57.199 54.840 -0.014 0.000 0.745 117 L CB -1.236 40.826 42.059 0.005 0.000 0.892 117 L HN 0.078 nan 8.230 nan 0.000 0.431 118 A N -0.555 122.235 122.820 -0.050 0.000 1.940 118 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 118 A C 2.341 179.895 177.584 -0.051 0.000 1.176 118 A CA 1.628 53.627 52.037 -0.062 0.000 0.631 118 A CB -1.616 17.320 19.000 -0.106 0.000 0.814 118 A HN 0.563 nan 8.150 nan 0.000 0.446 119 G N -0.424 108.352 108.800 -0.041 0.000 2.418 119 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 119 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 119 G C 1.697 176.565 174.900 -0.054 0.000 1.158 119 G CA 1.114 46.187 45.100 -0.045 0.000 0.771 119 G HN 0.575 nan 8.290 nan 0.000 0.545 120 K N 0.049 120.413 120.400 -0.059 0.000 2.025 120 K HA -0.069 4.250 4.320 -0.001 0.000 0.207 120 K C 2.780 179.342 176.600 -0.064 0.000 1.049 120 K CA 1.270 57.514 56.287 -0.072 0.000 0.933 120 K CB -0.212 32.228 32.500 -0.101 0.000 0.714 120 K HN 0.356 nan 8.250 nan 0.000 0.438 121 Q N 0.571 120.337 119.800 -0.056 0.000 2.096 121 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 121 Q C 2.076 178.050 176.000 -0.042 0.000 0.982 121 Q CA 1.338 57.113 55.803 -0.047 0.000 0.850 121 Q CB -0.135 28.579 28.738 -0.040 0.000 0.901 121 Q HN 0.313 nan 8.270 nan 0.000 0.422 122 L N -1.050 120.147 121.223 -0.044 0.000 2.418 122 L HA 0.117 4.456 4.340 -0.001 0.000 0.218 122 L C 1.125 177.969 176.870 -0.044 0.000 1.125 122 L CA 0.409 55.225 54.840 -0.041 0.000 0.835 122 L CB -0.052 41.982 42.059 -0.042 0.000 0.953 122 L HN 0.426 nan 8.230 nan 0.000 0.454 123 G N 1.174 109.945 108.800 -0.048 0.000 2.182 123 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.248 123 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.248 123 G C -0.011 174.855 174.900 -0.055 0.000 1.042 123 G CA 0.247 45.318 45.100 -0.048 0.000 0.775 123 G HN 0.317 nan 8.290 nan 0.000 0.501 124 V N -3.564 116.309 119.914 -0.067 0.000 3.007 124 V HA 0.961 5.080 4.120 -0.001 0.000 0.311 124 V C -2.331 173.699 176.094 -0.107 0.000 1.120 124 V CA -2.421 59.821 62.300 -0.096 0.000 0.980 124 V CB 2.572 34.326 31.823 -0.115 0.000 1.033 124 V HN 0.120 nan 8.190 nan 0.000 0.429 125 P HA 0.176 nan 4.420 nan 0.000 0.269 125 P C 0.809 178.042 177.300 -0.112 0.000 1.215 125 P CA 0.619 63.678 63.100 -0.068 0.000 0.780 125 P CB 1.316 32.987 31.700 -0.048 0.000 0.898 126 A N 3.381 126.158 122.820 -0.071 0.000 1.917 126 A HA -0.252 4.068 4.320 -0.001 0.000 0.219 126 A C 2.098 179.762 177.584 0.134 0.000 1.182 126 A CA 2.161 54.171 52.037 -0.045 0.000 0.633 126 A CB -2.099 16.700 19.000 -0.336 0.000 0.819 126 A HN 0.743 nan 8.150 nan 0.000 0.448 127 Y N -0.206 120.330 120.300 0.393 0.000 2.384 127 Y HA -0.127 4.423 4.550 -0.001 0.000 0.289 127 Y C 1.909 177.869 175.900 0.099 0.000 1.152 127 Y CA 1.477 59.698 58.100 0.202 0.000 1.258 127 Y CB -0.713 37.817 38.460 0.116 0.000 0.979 127 Y HN 0.417 nan 8.280 nan 0.000 0.549 128 Q N 0.363 119.868 119.800 -0.492 0.000 2.378 128 Q HA 0.072 4.411 4.340 -0.001 0.000 0.205 128 Q C 1.842 177.794 176.000 -0.080 0.000 0.954 128 Q CA 0.829 56.432 55.803 -0.332 0.000 0.901 128 Q CB 0.055 28.529 28.738 -0.441 0.000 0.981 128 Q HN 0.595 nan 8.270 nan 0.000 0.483 129 L N -0.181 121.041 121.223 -0.000 0.000 2.446 129 L HA 0.022 4.362 4.340 -0.001 0.000 0.219 129 L C 1.434 178.397 176.870 0.156 0.000 1.116 129 L CA 0.342 55.233 54.840 0.085 0.000 0.844 129 L CB 0.200 42.347 42.059 0.147 0.000 0.970 129 L HN 0.180 nan 8.230 nan 0.000 0.457 130 L N -0.480 120.831 121.223 0.148 0.000 2.685 130 L HA 0.288 4.628 4.340 -0.001 0.000 0.233 130 L C 1.230 178.154 176.870 0.091 0.000 1.173 130 L CA 0.425 55.343 54.840 0.130 0.000 0.961 130 L CB 0.180 42.292 42.059 0.088 0.000 1.217 130 L HN 0.374 nan 8.230 nan 0.000 0.478 131 G N -1.236 107.614 108.800 0.083 0.000 2.231 131 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.206 131 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.206 131 G C 0.633 175.587 174.900 0.089 0.000 0.996 131 G CA -0.327 44.813 45.100 0.067 0.000 0.645 131 G HN 0.779 nan 8.290 nan 0.000 0.498 132 G N -1.804 107.087 108.800 0.153 0.000 2.660 132 G HA2 0.420 4.379 3.960 -0.001 0.000 0.215 132 G HA3 0.420 4.379 3.960 -0.001 0.000 0.215 132 G C -0.145 174.917 174.900 0.270 0.000 1.345 132 G CA 0.851 46.097 45.100 0.244 0.000 0.877 132 G HN 2.079 nan 8.290 nan 0.000 0.549 133 T N -1.179 113.509 114.554 0.224 0.000 2.821 133 T HA 0.647 4.996 4.350 -0.001 0.000 0.306 133 T C 0.061 174.806 174.700 0.075 0.000 1.313 133 T CA 0.068 62.233 62.100 0.108 0.000 1.012 133 T CB 1.559 70.448 68.868 0.036 0.000 1.298 133 T HN 0.626 nan 8.240 nan 0.000 0.502 134 N N 1.010 119.741 118.700 0.053 0.000 2.159 134 N HA 0.223 4.963 4.740 -0.001 0.000 0.217 134 N C -0.531 175.003 175.510 0.041 0.000 1.223 134 N CA -0.026 53.048 53.050 0.039 0.000 0.896 134 N CB 0.788 39.289 38.487 0.024 0.000 1.064 134 N HN 0.493 nan 8.380 nan 0.000 0.518 135 K N 1.103 121.541 120.400 0.062 0.000 2.118 135 K HA 0.109 4.428 4.320 -0.001 0.000 0.267 135 K C 0.829 177.519 176.600 0.150 0.000 0.991 135 K CA -0.416 55.910 56.287 0.066 0.000 0.916 135 K CB 1.435 33.924 32.500 -0.019 0.000 1.041 135 K HN 0.037 nan 8.250 nan 0.000 0.455 136 D N 1.933 122.403 120.400 0.117 0.000 2.301 136 D HA -0.020 4.620 4.640 -0.001 0.000 0.206 136 D C -0.133 176.294 176.300 0.212 0.000 0.979 136 D CA 0.878 54.956 54.000 0.131 0.000 0.874 136 D CB 0.624 41.467 40.800 0.071 0.000 0.968 136 D HN 0.254 nan 8.370 nan 0.000 0.510 137 K N 0.026 120.502 120.400 0.127 0.000 2.533 137 K HA 0.442 4.761 4.320 -0.001 0.000 0.272 137 K C -1.045 175.342 176.600 -0.355 0.000 0.985 137 K CA -0.918 55.367 56.287 -0.003 0.000 0.876 137 K CB 3.207 35.652 32.500 -0.091 0.000 1.452 137 K HN -0.014 nan 8.250 nan 0.000 0.439 138 V N -1.138 118.442 119.914 -0.557 0.000 2.823 138 V HA 0.599 4.719 4.120 -0.001 0.000 0.312 138 V C -1.252 174.644 176.094 -0.330 0.000 1.072 138 V CA -0.808 61.214 62.300 -0.464 0.000 0.937 138 V CB 1.547 32.943 31.823 -0.712 0.000 1.013 138 V HN 0.745 nan 8.190 nan 0.000 0.430 139 H N 4.438 123.570 119.070 0.104 0.000 2.638 139 H HA 0.670 5.225 4.556 -0.001 0.000 0.317 139 H C -2.662 172.767 175.328 0.169 0.000 1.006 139 H CA -1.598 54.499 56.048 0.082 0.000 1.222 139 H CB 2.074 31.881 29.762 0.075 0.000 1.419 139 H HN 0.641 nan 8.280 nan 0.000 0.489 140 P HA 0.100 nan 4.420 nan 0.000 0.280 140 P C -1.065 176.058 177.300 -0.296 0.000 1.272 140 P CA -0.685 62.038 63.100 -0.629 0.000 0.819 140 P CB 1.420 32.466 31.700 -1.089 0.000 1.122 141 Y N -0.623 119.456 120.300 -0.367 0.000 2.387 141 Y HA 0.662 5.211 4.550 -0.001 0.000 0.336 141 Y C -1.101 174.637 175.900 -0.270 0.000 1.067 141 Y CA -1.508 56.347 58.100 -0.407 0.000 1.114 141 Y CB 0.747 38.930 38.460 -0.461 0.000 1.208 141 Y HN 0.105 nan 8.280 nan 0.000 0.458 142 L N 4.315 125.492 121.223 -0.077 0.000 2.307 142 L HA 0.441 4.780 4.340 -0.001 0.000 0.284 142 L C -0.200 176.734 176.870 0.107 0.000 1.023 142 L CA -0.873 53.918 54.840 -0.082 0.000 0.810 142 L CB 1.949 43.844 42.059 -0.274 0.000 1.231 142 L HN 0.770 nan 8.230 nan 0.000 0.423 143 T N 4.855 119.523 114.554 0.190 0.000 2.761 143 T HA 0.482 4.831 4.350 -0.001 0.000 0.296 143 T C -0.018 174.881 174.700 0.332 0.000 0.934 143 T CA -0.184 62.100 62.100 0.307 0.000 1.091 143 T CB 0.298 69.391 68.868 0.374 0.000 0.896 143 T HN 0.265 nan 8.240 nan 0.000 0.515 144 L N 3.814 125.220 121.223 0.304 0.000 2.346 144 L HA 0.628 4.967 4.340 -0.001 0.000 0.276 144 L C -1.067 176.027 176.870 0.373 0.000 1.006 144 L CA -1.152 53.883 54.840 0.326 0.000 0.817 144 L CB 1.507 43.745 42.059 0.299 0.000 1.272 144 L HN 0.626 nan 8.230 nan 0.000 0.421 145 Y N 4.481 124.799 120.300 0.029 0.000 2.298 145 Y HA 0.385 4.935 4.550 -0.001 0.000 0.322 145 Y C -2.474 173.289 175.900 -0.228 0.000 1.138 145 Y CA -1.528 56.477 58.100 -0.159 0.000 1.127 145 Y CB 1.801 40.239 38.460 -0.037 0.000 1.178 145 Y HN 0.364 nan 8.280 nan 0.000 0.428 146 P HA 0.328 nan 4.420 nan 0.000 0.274 146 P C -0.819 176.257 177.300 -0.374 0.000 1.237 146 P CA -0.394 62.391 63.100 -0.525 0.000 0.793 146 P CB 1.347 32.691 31.700 -0.595 0.000 0.977 147 A N 3.807 126.535 122.820 -0.153 0.000 2.785 147 A HA 0.410 4.729 4.320 -0.001 0.000 0.294 147 A C 0.756 178.299 177.584 -0.068 0.000 1.597 147 A CA -0.367 51.641 52.037 -0.050 0.000 1.283 147 A CB -1.549 17.448 19.000 -0.005 0.000 1.088 147 A HN 0.559 nan 8.150 nan 0.000 0.568 148 I N -0.465 120.057 120.570 -0.079 0.000 2.785 148 I HA 0.735 4.904 4.170 -0.001 0.000 0.302 148 I C -2.406 173.727 176.117 0.027 0.000 1.069 148 I CA -2.596 58.679 61.300 -0.041 0.000 1.045 148 I CB 0.876 38.825 38.000 -0.084 0.000 1.236 148 I HN 0.230 nan 8.210 nan 0.000 0.429 152 A N 0.407 123.238 122.820 0.018 0.000 2.309 152 A HA 0.991 5.310 4.320 -0.001 0.000 0.317 152 A C 0.931 178.702 177.584 0.312 0.000 1.134 152 A CA 0.209 52.328 52.037 0.137 0.000 0.866 152 A CB 1.180 20.270 19.000 0.150 0.000 1.329 152 A HN 1.578 nan 8.150 nan 0.000 0.477 153 S N -0.805 115.076 115.700 0.302 0.000 2.693 153 S HA 0.475 4.945 4.470 -0.001 0.000 0.276 153 S C 0.995 175.758 174.600 0.271 0.000 1.192 153 S CA -0.503 57.898 58.200 0.336 0.000 0.994 153 S CB 0.345 63.641 63.200 0.161 0.000 1.012 153 S HN 0.562 nan 8.310 nan 0.000 0.550 154 L N 0.358 121.547 121.223 -0.057 0.000 1.989 154 L HA -0.144 4.195 4.340 -0.001 0.000 0.211 154 L C 2.600 179.458 176.870 -0.020 0.000 1.071 154 L CA 1.810 56.451 54.840 -0.331 0.000 0.749 154 L CB -0.640 41.217 42.059 -0.337 0.000 0.890 154 L HN 0.773 nan 8.230 nan 0.000 0.431 155 D N -0.309 120.114 120.400 0.039 0.000 2.097 155 D HA -0.159 4.480 4.640 -0.001 0.000 0.195 155 D C 2.243 178.594 176.300 0.085 0.000 0.989 155 D CA 1.555 55.595 54.000 0.066 0.000 0.827 155 D CB 0.123 40.956 40.800 0.055 0.000 0.966 155 D HN 0.089 nan 8.370 nan 0.000 0.456 156 V N 1.837 121.809 119.914 0.098 0.000 2.231 156 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 156 V C 2.663 178.834 176.094 0.128 0.000 1.054 156 V CA 2.094 64.453 62.300 0.099 0.000 1.015 156 V CB -0.967 30.917 31.823 0.103 0.000 0.638 156 V HN 0.200 nan 8.190 nan 0.000 0.444 157 A N -0.049 122.895 122.820 0.208 0.000 1.892 157 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 157 A C 2.187 179.982 177.584 0.352 0.000 1.188 157 A CA 2.370 54.592 52.037 0.309 0.000 0.631 157 A CB -0.664 18.638 19.000 0.503 0.000 0.822 157 A HN 0.533 nan 8.150 nan 0.000 0.447 158 I N -0.183 120.560 120.570 0.289 0.000 2.226 158 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 158 I C 3.096 179.284 176.117 0.119 0.000 1.100 158 I CA 1.803 63.212 61.300 0.181 0.000 1.374 158 I CB -0.514 37.521 38.000 0.058 0.000 1.057 158 I HN 0.460 nan 8.210 nan 0.000 0.413 159 K N 1.136 121.589 120.400 0.088 0.000 2.147 159 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 159 K C 2.160 178.784 176.600 0.040 0.000 1.049 159 K CA 1.482 57.800 56.287 0.051 0.000 0.936 159 K CB -1.769 30.755 32.500 0.040 0.000 0.722 159 K HN 0.558 nan 8.250 nan 0.000 0.446 160 G N -1.104 107.721 108.800 0.042 0.000 2.408 160 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.217 160 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.217 160 G C 1.691 176.542 174.900 -0.081 0.000 1.150 160 G CA 0.927 46.001 45.100 -0.043 0.000 0.776 160 G HN 0.558 nan 8.290 nan 0.000 0.542 161 Y N 1.275 121.560 120.300 -0.026 0.000 2.337 161 Y HA 0.193 4.742 4.550 -0.001 0.000 0.293 161 Y C 3.045 178.921 175.900 -0.040 0.000 1.123 161 Y CA 0.403 58.480 58.100 -0.039 0.000 1.201 161 Y CB -0.226 38.206 38.460 -0.047 0.000 1.011 161 Y HN 0.261 nan 8.280 nan 0.000 0.545 162 A N 1.380 124.269 122.820 0.115 0.000 1.881 162 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 162 A C 0.123 177.729 177.584 0.037 0.000 1.215 162 A CA 2.411 54.477 52.037 0.048 0.000 0.648 162 A CB -2.080 16.934 19.000 0.023 0.000 0.832 162 A HN 0.337 nan 8.150 nan 0.000 0.455 163 P HA -0.131 nan 4.420 nan 0.000 0.217 163 P C 1.641 178.959 177.300 0.030 0.000 1.150 163 P CA 1.140 64.248 63.100 0.013 0.000 0.832 163 P CB -0.220 31.476 31.700 -0.007 0.000 0.787 164 L N -1.000 120.251 121.223 0.046 0.000 2.046 164 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 164 L C 2.887 179.839 176.870 0.136 0.000 1.077 164 L CA 1.204 56.106 54.840 0.104 0.000 0.747 164 L CB -0.898 41.223 42.059 0.102 0.000 0.896 164 L HN -0.102 nan 8.230 nan 0.000 0.432 165 L N -0.793 120.491 121.223 0.100 0.000 2.046 165 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 165 L C 2.747 179.638 176.870 0.035 0.000 1.077 165 L CA 1.030 55.898 54.840 0.046 0.000 0.747 165 L CB -0.609 41.453 42.059 0.004 0.000 0.896 165 L HN 0.279 nan 8.230 nan 0.000 0.432 166 E N 0.483 120.706 120.200 0.039 0.000 2.051 166 E HA -0.259 4.090 4.350 -0.001 0.000 0.192 166 E C 2.076 178.719 176.600 0.071 0.000 0.991 166 E CA 1.181 57.602 56.400 0.036 0.000 0.799 166 E CB -0.193 29.522 29.700 0.025 0.000 0.748 166 E HN 0.409 nan 8.360 nan 0.000 0.449 167 K N 0.741 121.196 120.400 0.092 0.000 2.147 167 K HA -0.074 4.246 4.320 -0.001 0.000 0.205 167 K C 2.062 178.812 176.600 0.250 0.000 1.049 167 K CA 1.058 57.420 56.287 0.125 0.000 0.936 167 K CB -0.020 32.475 32.500 -0.008 0.000 0.722 167 K HN 0.059 nan 8.250 nan 0.000 0.446 168 A N 1.568 124.530 122.820 0.237 0.000 1.873 168 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 168 A C 1.845 179.456 177.584 0.044 0.000 1.186 168 A CA 1.646 53.717 52.037 0.057 0.000 0.616 168 A CB -0.318 18.608 19.000 -0.122 0.000 0.823 168 A HN 0.321 nan 8.150 nan 0.000 0.442 169 K N -0.056 120.367 120.400 0.039 0.000 2.097 169 K HA -0.026 4.293 4.320 -0.001 0.000 0.206 169 K C 2.226 178.863 176.600 0.062 0.000 1.049 169 K CA 1.112 57.411 56.287 0.021 0.000 0.933 169 K CB -0.329 32.174 32.500 0.005 0.000 0.717 169 K HN 0.431 nan 8.250 nan 0.000 0.442 170 A N 1.058 123.951 122.820 0.122 0.000 1.898 170 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 170 A C 1.403 179.078 177.584 0.152 0.000 1.181 170 A CA 1.439 53.557 52.037 0.135 0.000 0.620 170 A CB -0.581 18.526 19.000 0.179 0.000 0.819 170 A HN 0.274 nan 8.150 nan 0.000 0.442 171 H N -0.158 118.944 119.070 0.054 0.000 2.547 171 H HA 0.126 4.681 4.556 -0.001 0.000 0.266 171 H C 0.129 175.440 175.328 -0.029 0.000 0.988 171 H CA 0.426 56.498 56.048 0.040 0.000 1.147 171 H CB -0.033 29.824 29.762 0.159 0.000 1.365 171 H HN 0.460 nan 8.280 nan 0.000 0.589 172 N N 0.311 119.048 118.700 0.062 0.000 2.754 172 N HA -0.166 4.573 4.740 -0.001 0.000 0.248 172 N C -0.794 174.686 175.510 -0.050 0.000 1.093 172 N CA 0.378 53.424 53.050 -0.007 0.000 0.699 172 N CB -1.298 37.179 38.487 -0.017 0.000 1.016 172 N HN 0.274 nan 8.380 nan 0.000 0.552 173 I N 0.910 121.425 120.570 -0.093 0.000 2.618 173 I HA -0.028 4.142 4.170 -0.001 0.000 0.284 173 I C 1.995 178.008 176.117 -0.173 0.000 1.146 173 I CA 0.421 61.603 61.300 -0.197 0.000 1.425 173 I CB 0.500 38.288 38.000 -0.354 0.000 1.383 173 I HN 0.053 nan 8.210 nan 0.000 0.562 174 R N 3.955 124.358 120.500 -0.161 0.000 2.275 174 R HA 0.350 4.689 4.340 -0.001 0.000 0.199 174 R C 0.176 176.271 176.300 -0.342 0.000 0.989 174 R CA 0.314 56.326 56.100 -0.148 0.000 1.016 174 R CB 0.260 30.568 30.300 0.014 0.000 0.918 174 R HN 0.730 nan 8.270 nan 0.000 0.473 175 A N 0.473 123.014 122.820 -0.466 0.000 2.582 175 A HA 0.484 4.804 4.320 -0.001 0.000 0.297 175 A C -1.009 176.333 177.584 -0.403 0.000 1.059 175 A CA -0.763 50.912 52.037 -0.603 0.000 0.705 175 A CB 1.443 19.691 19.000 -1.254 0.000 1.279 175 A HN -0.009 nan 8.150 nan 0.000 0.404 176 V N -0.998 118.706 119.914 -0.350 0.000 3.007 176 V HA 0.872 4.991 4.120 -0.001 0.000 0.311 176 V C -0.653 175.296 176.094 -0.242 0.000 1.120 176 V CA -0.919 61.255 62.300 -0.210 0.000 0.980 176 V CB 1.858 33.573 31.823 -0.180 0.000 1.033 176 V HN 1.091 nan 8.190 nan 0.000 0.429 177 K N 2.375 122.725 120.400 -0.084 0.000 2.244 177 K HA 0.792 5.111 4.320 -0.001 0.000 0.260 177 K C -0.757 175.840 176.600 -0.004 0.000 0.951 177 K CA -0.619 55.588 56.287 -0.133 0.000 0.826 177 K CB 1.990 34.484 32.500 -0.011 0.000 1.108 177 K HN 1.154 nan 8.250 nan 0.000 0.433 178 V N 0.514 120.362 119.914 -0.110 0.000 2.769 178 V HA 0.687 4.806 4.120 -0.001 0.000 0.312 178 V C -0.519 175.557 176.094 -0.030 0.000 1.058 178 V CA -0.823 61.408 62.300 -0.114 0.000 0.952 178 V CB 1.244 32.725 31.823 -0.570 0.000 1.019 178 V HN 0.869 nan 8.190 nan 0.000 0.445 179 C N 1.789 121.207 119.300 0.196 0.000 2.562 179 C HA 0.776 5.236 4.460 -0.001 0.000 0.332 179 C C 0.107 175.260 174.990 0.271 0.000 1.201 179 C CA -0.690 58.436 59.018 0.181 0.000 1.803 179 C CB 1.461 29.336 27.740 0.225 0.000 2.328 179 C HN 0.809 nan 8.230 nan 0.000 0.500 180 V N 3.298 123.276 119.914 0.107 0.000 2.364 180 V HA 0.254 4.373 4.120 -0.001 0.000 0.272 180 V C -2.148 173.894 176.094 -0.087 0.000 1.036 180 V CA -1.209 61.127 62.300 0.059 0.000 0.880 180 V CB 1.039 32.880 31.823 0.030 0.000 0.991 180 V HN 0.769 nan 8.190 nan 0.000 0.460 181 P HA 0.035 nan 4.420 nan 0.000 0.257 181 P C 1.099 178.219 177.300 -0.301 0.000 1.162 181 P CA 0.516 63.508 63.100 -0.181 0.000 0.762 181 P CB 0.450 31.960 31.700 -0.317 0.000 0.753 182 I N 3.482 123.945 120.570 -0.180 0.000 2.044 182 I HA -0.328 3.841 4.170 -0.001 0.000 0.234 182 I C 1.858 177.848 176.117 -0.212 0.000 1.031 182 I CA 1.808 63.005 61.300 -0.173 0.000 1.305 182 I CB -0.585 37.346 38.000 -0.114 0.000 1.026 182 I HN 0.406 nan 8.210 nan 0.000 0.392 183 K N 1.338 121.633 120.400 -0.176 0.000 2.574 183 K HA 0.096 4.416 4.320 -0.001 0.000 0.193 183 K C 0.610 177.058 176.600 -0.254 0.000 1.035 183 K CA 0.057 56.244 56.287 -0.167 0.000 0.982 183 K CB -0.299 32.140 32.500 -0.101 0.000 0.795 183 K HN 0.341 nan 8.250 nan 0.000 0.491 184 A N 2.626 125.177 122.820 -0.449 0.000 2.445 184 A HA -0.018 4.301 4.320 -0.001 0.000 0.242 184 A C 0.630 177.895 177.584 -0.532 0.000 1.075 184 A CA -0.026 51.551 52.037 -0.767 0.000 0.777 184 A CB 0.222 18.188 19.000 -1.723 0.000 1.013 184 A HN 0.360 nan 8.150 nan 0.000 0.493 185 D N 0.808 120.991 120.400 -0.361 0.000 2.462 185 D HA 0.024 4.663 4.640 -0.001 0.000 0.221 185 D C -0.611 175.739 176.300 0.084 0.000 1.173 185 D CA -0.469 53.473 54.000 -0.096 0.000 0.831 185 D CB -0.165 40.632 40.800 -0.005 0.000 1.001 185 D HN 0.459 nan 8.370 nan 0.000 0.499 186 W N 2.649 123.947 121.300 -0.004 0.000 2.231 186 W HA 0.213 4.872 4.660 -0.001 0.000 0.341 186 W C 1.268 177.823 176.519 0.060 0.000 1.298 186 W CA -1.280 56.078 57.345 0.022 0.000 1.266 186 W CB -0.281 29.184 29.460 0.007 0.000 1.172 186 W HN -0.074 nan 8.180 nan 0.000 0.568 187 S N 0.040 115.920 115.700 0.301 0.000 2.624 187 S HA 0.148 4.617 4.470 -0.001 0.000 0.263 187 S C 1.412 176.175 174.600 0.272 0.000 1.287 187 S CA 0.166 58.501 58.200 0.226 0.000 0.990 187 S CB 1.046 64.336 63.200 0.149 0.000 0.950 187 S HN 0.516 nan 8.310 nan 0.000 0.561 188 T N -1.078 113.624 114.554 0.247 0.000 2.833 188 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 188 T C 1.601 176.418 174.700 0.195 0.000 1.054 188 T CA 0.824 63.074 62.100 0.251 0.000 1.135 188 T CB -0.395 68.546 68.868 0.122 0.000 0.869 188 T HN 0.480 nan 8.240 nan 0.000 0.466 189 K N 1.324 121.809 120.400 0.143 0.000 2.097 189 K HA -0.021 4.298 4.320 -0.001 0.000 0.206 189 K C 2.352 179.043 176.600 0.151 0.000 1.049 189 K CA 1.406 57.762 56.287 0.114 0.000 0.933 189 K CB -0.286 32.255 32.500 0.067 0.000 0.717 189 K HN 0.651 nan 8.250 nan 0.000 0.442 190 E N 0.227 120.523 120.200 0.161 0.000 2.204 190 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 190 E C 1.927 178.670 176.600 0.237 0.000 0.989 190 E CA 0.711 57.200 56.400 0.150 0.000 0.824 190 E CB 0.093 29.845 29.700 0.086 0.000 0.756 190 E HN -0.013 nan 8.360 nan 0.000 0.477 191 V N 1.358 121.471 119.914 0.331 0.000 2.453 191 V HA -0.202 3.918 4.120 -0.001 0.000 0.247 191 V C 2.327 178.632 176.094 0.352 0.000 1.048 191 V CA 1.675 64.236 62.300 0.435 0.000 1.049 191 V CB -0.561 31.576 31.823 0.524 0.000 0.672 191 V HN 0.285 nan 8.190 nan 0.000 0.457 192 A N -0.486 122.491 122.820 0.262 0.000 1.898 192 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 192 A C 2.169 179.841 177.584 0.148 0.000 1.181 192 A CA 2.000 54.146 52.037 0.181 0.000 0.620 192 A CB -0.735 18.346 19.000 0.135 0.000 0.819 192 A HN 0.646 nan 8.150 nan 0.000 0.442 193 Y N -0.911 119.421 120.300 0.054 0.000 2.114 193 Y HA -0.297 4.252 4.550 -0.001 0.000 0.284 193 Y C 2.218 178.121 175.900 0.004 0.000 1.143 193 Y CA 2.040 60.144 58.100 0.007 0.000 1.135 193 Y CB -1.003 37.442 38.460 -0.025 0.000 0.980 193 Y HN 0.412 nan 8.280 nan 0.000 0.499 194 Y N 0.743 120.867 120.300 -0.293 0.000 2.069 194 Y HA -0.332 4.217 4.550 -0.001 0.000 0.278 194 Y C 2.146 177.857 175.900 -0.316 0.000 1.175 194 Y CA 2.373 60.227 58.100 -0.410 0.000 1.134 194 Y CB -0.830 37.480 38.460 -0.250 0.000 0.965 194 Y HN 0.246 nan 8.280 nan 0.000 0.498 195 L N -0.380 120.705 121.223 -0.230 0.000 2.093 195 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 195 L C 2.640 179.328 176.870 -0.302 0.000 1.085 195 L CA 1.452 56.097 54.840 -0.325 0.000 0.755 195 L CB -0.531 41.475 42.059 -0.089 0.000 0.904 195 L HN 0.168 nan 8.230 nan 0.000 0.435 196 R N -0.277 120.089 120.500 -0.224 0.000 2.096 196 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 196 R C 2.235 178.375 176.300 -0.266 0.000 1.127 196 R CA 0.982 56.969 56.100 -0.188 0.000 0.968 196 R CB -0.138 30.100 30.300 -0.104 0.000 0.861 196 R HN 0.316 nan 8.270 nan 0.000 0.440 197 E N 0.801 120.755 120.200 -0.411 0.000 2.072 197 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 197 E C 2.127 178.517 176.600 -0.351 0.000 0.985 197 E CA 0.930 57.086 56.400 -0.406 0.000 0.801 197 E CB -0.081 29.270 29.700 -0.582 0.000 0.750 197 E HN 0.354 nan 8.360 nan 0.000 0.452 198 L N 0.461 121.409 121.223 -0.458 0.000 2.056 198 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 198 L C 2.645 179.317 176.870 -0.330 0.000 1.078 198 L CA 0.929 55.508 54.840 -0.437 0.000 0.749 198 L CB -0.367 41.300 42.059 -0.653 0.000 0.901 198 L HN 0.056 nan 8.230 nan 0.000 0.433 199 R N 0.963 121.269 120.500 -0.323 0.000 2.096 199 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 199 R C 2.093 178.250 176.300 -0.238 0.000 1.127 199 R CA 1.606 57.526 56.100 -0.301 0.000 0.968 199 R CB -1.103 29.017 30.300 -0.301 0.000 0.861 199 R HN 0.268 nan 8.270 nan 0.000 0.440 200 G N 0.684 109.372 108.800 -0.186 0.000 2.446 200 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.217 200 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.217 200 G C 1.566 176.403 174.900 -0.105 0.000 1.168 200 G CA 1.103 46.134 45.100 -0.116 0.000 0.771 200 G HN 0.355 nan 8.290 nan 0.000 0.551 201 I N -0.025 120.469 120.570 -0.128 0.000 2.142 201 I HA -0.126 4.043 4.170 -0.001 0.000 0.240 201 I C 2.598 178.659 176.117 -0.092 0.000 1.078 201 I CA 0.754 61.995 61.300 -0.097 0.000 1.343 201 I CB -0.267 37.672 38.000 -0.101 0.000 1.046 201 I HN 0.172 nan 8.210 nan 0.000 0.405 202 L N 0.761 121.906 121.223 -0.130 0.000 2.093 202 L HA 0.100 4.440 4.340 -0.001 0.000 0.208 202 L C 1.007 177.810 176.870 -0.112 0.000 1.085 202 L CA 1.670 56.434 54.840 -0.126 0.000 0.755 202 L CB -0.780 41.173 42.059 -0.175 0.000 0.904 202 L HN 0.419 nan 8.230 nan 0.000 0.435 203 G N -2.232 106.491 108.800 -0.128 0.000 2.707 203 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.686 203 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.686 203 G C 0.135 174.958 174.900 -0.128 0.000 1.315 203 G CA -0.017 45.041 45.100 -0.071 0.000 0.832 203 G HN 0.363 nan 8.290 nan 0.000 0.573 204 H N -0.049 118.986 119.070 -0.059 0.000 2.539 204 H HA 0.061 4.616 4.556 -0.001 0.000 0.267 204 H C 1.307 176.607 175.328 -0.047 0.000 0.982 204 H CA 0.818 56.833 56.048 -0.055 0.000 1.146 204 H CB 0.569 30.305 29.762 -0.044 0.000 1.382 204 H HN 0.490 nan 8.280 nan 0.000 0.577 205 D N 0.725 121.147 120.400 0.037 0.000 2.347 205 D HA -0.003 4.636 4.640 -0.001 0.000 0.213 205 D C 0.300 176.582 176.300 -0.029 0.000 0.985 205 D CA 0.582 54.587 54.000 0.009 0.000 0.879 205 D CB 0.545 41.344 40.800 -0.001 0.000 0.919 205 D HN 0.146 nan 8.370 nan 0.000 0.526 206 T N 1.225 115.738 114.554 -0.069 0.000 2.797 206 T HA 0.175 4.525 4.350 -0.001 0.000 0.279 206 T C 0.065 174.673 174.700 -0.152 0.000 0.991 206 T CA -0.813 61.216 62.100 -0.119 0.000 0.979 206 T CB 2.539 71.320 68.868 -0.144 0.000 0.943 206 T HN -0.160 nan 8.240 nan 0.000 0.444 211 D N 2.164 122.480 120.400 -0.140 0.000 2.414 211 D HA 0.428 5.068 4.640 -0.001 0.000 0.232 211 D C -0.239 175.958 176.300 -0.171 0.000 1.070 211 D CA -0.248 53.733 54.000 -0.032 0.000 0.839 211 D CB 1.416 42.225 40.800 0.016 0.000 1.079 211 D HN 0.549 nan 8.370 nan 0.000 0.521 212 Y N 3.022 123.329 120.300 0.010 0.000 2.490 212 Y HA 0.226 4.775 4.550 -0.001 0.000 0.281 212 Y C 1.317 177.137 175.900 -0.132 0.000 1.174 212 Y CA -0.217 57.878 58.100 -0.007 0.000 1.295 212 Y CB -0.037 38.485 38.460 0.103 0.000 1.062 212 Y HN 0.391 nan 8.280 nan 0.000 0.522 213 L N 0.108 121.275 121.223 -0.093 0.000 3.833 213 L HA -0.371 3.969 4.340 -0.001 0.000 0.447 213 L C -0.716 176.134 176.870 -0.035 0.000 1.213 213 L CA 0.227 54.983 54.840 -0.141 0.000 0.801 213 L CB -2.371 39.641 42.059 -0.079 0.000 1.676 213 L HN 0.467 nan 8.230 nan 0.000 0.883 214 Y N -2.134 118.220 120.300 0.091 0.000 3.168 214 Y HA -0.303 4.247 4.550 -0.001 0.000 0.207 214 Y C 1.747 177.630 175.900 -0.028 0.000 1.280 214 Y CA 1.362 59.510 58.100 0.079 0.000 1.235 214 Y CB -1.516 36.998 38.460 0.091 0.000 1.370 214 Y HN 0.665 nan 8.280 nan 0.000 0.537 215 R N -1.428 119.005 120.500 -0.112 0.000 2.297 215 R HA 0.245 4.585 4.340 -0.001 0.000 0.197 215 R C -0.287 175.746 176.300 -0.446 0.000 0.943 215 R CA 0.386 56.275 56.100 -0.353 0.000 1.038 215 R CB 0.244 30.190 30.300 -0.589 0.000 0.957 215 R HN 0.174 nan 8.270 nan 0.000 0.484 216 F N 0.308 120.318 119.950 0.099 0.000 2.556 216 F HA 0.368 4.895 4.527 -0.001 0.000 0.327 216 F C 1.162 177.011 175.800 0.083 0.000 1.059 216 F CA -1.016 57.023 58.000 0.065 0.000 0.953 216 F CB 2.203 41.213 39.000 0.017 0.000 1.227 216 F HN -0.051 nan 8.300 nan 0.000 0.478 217 T N -4.179 110.546 114.554 0.284 0.000 3.009 217 T HA 0.156 4.506 4.350 -0.001 0.000 0.267 217 T C -0.452 174.341 174.700 0.155 0.000 0.942 217 T CA -0.082 62.131 62.100 0.189 0.000 0.883 217 T CB -0.028 68.922 68.868 0.137 0.000 1.192 217 T HN 0.369 nan 8.240 nan 0.000 0.524 218 D N 1.733 122.209 120.400 0.126 0.000 2.392 218 D HA 0.236 4.875 4.640 -0.001 0.000 0.228 218 D C 1.158 177.447 176.300 -0.018 0.000 1.074 218 D CA -1.178 52.843 54.000 0.035 0.000 0.838 218 D CB 0.620 41.404 40.800 -0.027 0.000 1.067 218 D HN 0.370 nan 8.370 nan 0.000 0.511 219 W N 3.929 125.236 121.300 0.011 0.000 2.350 219 W HA -0.248 4.411 4.660 -0.001 0.000 0.289 219 W C 0.737 177.233 176.519 -0.039 0.000 1.215 219 W CA 0.392 57.715 57.345 -0.038 0.000 1.236 219 W CB -1.056 28.394 29.460 -0.018 0.000 1.130 219 W HN 0.502 nan 8.180 nan 0.000 0.541 220 Y N 2.295 121.859 120.300 -1.226 0.000 2.145 220 Y HA -0.242 4.307 4.550 -0.001 0.000 0.286 220 Y C 2.947 178.528 175.900 -0.531 0.000 1.145 220 Y CA 3.037 60.425 58.100 -1.185 0.000 1.148 220 Y CB -0.770 36.991 38.460 -1.166 0.000 0.981 220 Y HN 0.091 nan 8.280 nan 0.000 0.507 221 E N -0.670 119.355 120.200 -0.292 0.000 2.077 221 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 221 E C 2.069 178.397 176.600 -0.453 0.000 0.989 221 E CA 1.739 57.968 56.400 -0.286 0.000 0.800 221 E CB -0.184 29.403 29.700 -0.189 0.000 0.746 221 E HN 0.359 nan 8.360 nan 0.000 0.452 222 V N 1.131 120.739 119.914 -0.510 0.000 2.407 222 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 222 V C 2.419 178.296 176.094 -0.362 0.000 1.055 222 V CA 1.693 63.640 62.300 -0.588 0.000 1.049 222 V CB -0.683 30.870 31.823 -0.451 0.000 0.662 222 V HN 0.432 nan 8.190 nan 0.000 0.455 223 A N 0.052 122.710 122.820 -0.269 0.000 1.930 223 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 223 A C 2.403 179.832 177.584 -0.260 0.000 1.175 223 A CA 1.866 53.791 52.037 -0.186 0.000 0.627 223 A CB -0.526 18.427 19.000 -0.078 0.000 0.815 223 A HN 0.480 nan 8.150 nan 0.000 0.443 224 R N -0.768 119.500 120.500 -0.387 0.000 2.081 224 R HA -0.143 4.196 4.340 -0.001 0.000 0.235 224 R C 2.057 178.241 176.300 -0.195 0.000 1.131 224 R CA 1.703 57.615 56.100 -0.313 0.000 0.960 224 R CB -0.410 29.685 30.300 -0.342 0.000 0.856 224 R HN 0.462 nan 8.270 nan 0.000 0.436 225 L N 1.046 122.139 121.223 -0.217 0.000 1.961 225 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 225 L C 2.021 178.836 176.870 -0.091 0.000 1.072 225 L CA 1.764 56.520 54.840 -0.140 0.000 0.749 225 L CB -0.763 41.173 42.059 -0.204 0.000 0.889 225 L HN 0.235 nan 8.230 nan 0.000 0.432 226 L N 0.110 121.258 121.223 -0.126 0.000 2.043 226 L HA -0.279 4.060 4.340 -0.001 0.000 0.212 226 L C 2.356 179.201 176.870 -0.042 0.000 1.075 226 L CA 1.573 56.374 54.840 -0.065 0.000 0.752 226 L CB -1.023 40.987 42.059 -0.081 0.000 0.891 226 L HN 0.444 nan 8.230 nan 0.000 0.432 227 N N -0.226 118.436 118.700 -0.064 0.000 2.309 227 N HA -0.134 4.606 4.740 -0.001 0.000 0.182 227 N C 2.039 177.529 175.510 -0.033 0.000 1.018 227 N CA 1.579 54.601 53.050 -0.046 0.000 0.876 227 N CB -0.209 38.241 38.487 -0.062 0.000 0.972 227 N HN 0.408 nan 8.380 nan 0.000 0.434 228 S N 0.399 116.079 115.700 -0.034 0.000 2.522 228 S HA 0.004 4.473 4.470 -0.001 0.000 0.227 228 S C 1.397 176.000 174.600 0.005 0.000 0.986 228 S CA 0.084 58.276 58.200 -0.014 0.000 0.929 228 S CB -0.441 62.751 63.200 -0.013 0.000 0.769 228 S HN 0.474 nan 8.310 nan 0.000 0.529 229 I N -2.072 118.504 120.570 0.011 0.000 3.707 229 I HA 0.480 4.649 4.170 -0.001 0.000 0.330 229 I C 1.233 177.360 176.117 0.017 0.000 1.572 229 I CA -0.370 60.943 61.300 0.022 0.000 1.104 229 I CB 0.098 38.123 38.000 0.041 0.000 1.240 229 I HN 0.078 nan 8.210 nan 0.000 0.475 230 E N 2.584 122.789 120.200 0.008 0.000 2.204 230 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 230 E C 1.459 178.067 176.600 0.014 0.000 0.990 230 E CA 1.767 58.169 56.400 0.004 0.000 0.821 230 E CB 0.152 29.850 29.700 -0.004 0.000 0.750 230 E HN 0.750 nan 8.360 nan 0.000 0.477 231 D N 0.441 120.853 120.400 0.019 0.000 2.310 231 D HA -0.182 4.457 4.640 -0.001 0.000 0.212 231 D C 1.863 178.216 176.300 0.088 0.000 0.965 231 D CA 0.507 54.525 54.000 0.031 0.000 0.879 231 D CB -0.250 40.561 40.800 0.019 0.000 0.921 231 D HN 0.349 nan 8.370 nan 0.000 0.510 232 L N -0.081 121.184 121.223 0.071 0.000 2.478 232 L HA 0.011 4.351 4.340 -0.001 0.000 0.223 232 L C 0.470 177.384 176.870 0.074 0.000 1.140 232 L CA 0.393 55.276 54.840 0.072 0.000 0.842 232 L CB -0.678 41.367 42.059 -0.024 0.000 0.953 232 L HN -0.061 nan 8.230 nan 0.000 0.452 233 E N 0.607 120.846 120.200 0.065 0.000 2.360 233 E HA -0.213 4.137 4.350 -0.001 0.000 0.238 233 E C -0.227 176.370 176.600 -0.006 0.000 1.186 233 E CA -0.031 56.395 56.400 0.043 0.000 0.719 233 E CB -1.538 28.231 29.700 0.115 0.000 1.236 233 E HN 0.438 nan 8.360 nan 0.000 0.386 234 L N 0.057 121.262 121.223 -0.031 0.000 2.483 234 L HA 0.001 4.341 4.340 -0.001 0.000 0.276 234 L C 1.562 178.409 176.870 -0.039 0.000 1.213 234 L CA 0.193 54.999 54.840 -0.056 0.000 0.843 234 L CB 0.036 42.071 42.059 -0.040 0.000 1.107 234 L HN 0.155 nan 8.230 nan 0.000 0.487 235 Y N 2.933 123.122 120.300 -0.185 0.000 2.200 235 Y HA -0.109 4.441 4.550 -0.001 0.000 0.290 235 Y C 0.496 176.384 175.900 -0.020 0.000 1.137 235 Y CA 1.029 59.040 58.100 -0.149 0.000 1.163 235 Y CB 0.355 38.647 38.460 -0.280 0.000 0.988 235 Y HN 0.502 nan 8.280 nan 0.000 0.518 236 F N -1.802 118.200 119.950 0.087 0.000 2.741 236 F HA 0.756 5.282 4.527 -0.001 0.000 0.313 236 F C -1.591 174.261 175.800 0.087 0.000 1.153 236 F CA -2.309 55.715 58.000 0.040 0.000 0.931 236 F CB 0.585 39.652 39.000 0.112 0.000 1.335 236 F HN -0.211 nan 8.300 nan 0.000 0.460 237 A N 1.483 124.631 122.820 0.545 0.000 2.310 237 A HA 0.603 4.922 4.320 -0.001 0.000 0.304 237 A C -0.844 176.958 177.584 0.364 0.000 1.231 237 A CA -0.453 51.897 52.037 0.521 0.000 0.799 237 A CB 0.664 19.843 19.000 0.298 0.000 1.162 237 A HN 0.882 nan 8.150 nan 0.000 0.486 238 E N 2.409 122.857 120.200 0.414 0.000 2.214 238 E HA 0.555 4.904 4.350 -0.001 0.000 0.274 238 E C 0.362 177.041 176.600 0.132 0.000 0.977 238 E CA -0.148 56.328 56.400 0.127 0.000 0.827 238 E CB 1.312 31.060 29.700 0.079 0.000 1.130 238 E HN 1.797 nan 8.360 nan 0.000 0.394 239 A N 2.797 125.585 122.820 -0.053 0.000 2.415 239 A HA -0.229 4.090 4.320 -0.001 0.000 0.292 239 A C 0.910 178.446 177.584 -0.080 0.000 1.452 239 A CA 1.414 53.217 52.037 -0.389 0.000 0.750 239 A CB -2.467 15.835 19.000 -1.164 0.000 1.099 239 A HN 0.843 nan 8.150 nan 0.000 0.391 240 T N -1.662 112.973 114.554 0.134 0.000 2.755 240 T HA 0.374 4.723 4.350 -0.001 0.000 0.251 240 T C 1.111 175.965 174.700 0.255 0.000 1.044 240 T CA 1.025 63.223 62.100 0.163 0.000 1.154 240 T CB -0.154 68.707 68.868 -0.013 0.000 0.866 240 T HN 0.569 nan 8.240 nan 0.000 0.416 241 L N 1.494 122.808 121.223 0.153 0.000 2.431 241 L HA 0.401 4.740 4.340 -0.001 0.000 0.260 241 L C 0.407 177.558 176.870 0.468 0.000 1.098 241 L CA -1.398 53.562 54.840 0.201 0.000 0.800 241 L CB 0.589 42.601 42.059 -0.077 0.000 1.210 241 L HN 0.199 nan 8.230 nan 0.000 0.465 242 Q N 0.288 120.319 119.800 0.385 0.000 2.386 242 Q HA -0.077 4.263 4.340 -0.001 0.000 0.282 242 Q C 0.914 177.187 176.000 0.455 0.000 1.050 242 Q CA 0.341 56.358 55.803 0.358 0.000 0.918 242 Q CB 0.333 29.190 28.738 0.199 0.000 1.266 242 Q HN 0.513 nan 8.270 nan 0.000 0.423 243 H N 2.257 121.454 119.070 0.211 0.000 2.422 243 H HA -0.147 4.408 4.556 -0.001 0.000 0.298 243 H C 0.211 175.686 175.328 0.245 0.000 1.098 243 H CA 1.580 57.822 56.048 0.323 0.000 1.315 243 H CB 0.686 30.489 29.762 0.068 0.000 1.382 243 H HN 0.553 nan 8.280 nan 0.000 0.523 244 D N 0.240 120.756 120.400 0.194 0.000 2.323 244 D HA -0.091 4.549 4.640 -0.001 0.000 0.209 244 D C 0.479 176.746 176.300 -0.055 0.000 0.973 244 D CA 0.360 54.381 54.000 0.035 0.000 0.874 244 D CB -0.252 40.576 40.800 0.046 0.000 0.930 244 D HN 0.278 nan 8.370 nan 0.000 0.521 245 D N 0.881 121.321 120.400 0.067 0.000 2.671 245 D HA 0.012 4.651 4.640 -0.001 0.000 0.228 245 D C 1.230 177.592 176.300 0.104 0.000 1.102 245 D CA -0.153 53.904 54.000 0.095 0.000 1.044 245 D CB -0.051 40.860 40.800 0.184 0.000 1.113 245 D HN -0.093 nan 8.370 nan 0.000 0.480 246 L N 0.991 122.092 121.223 -0.203 0.000 2.093 246 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 246 L C 2.612 179.427 176.870 -0.092 0.000 1.085 246 L CA 1.387 56.026 54.840 -0.334 0.000 0.755 246 L CB -0.880 40.825 42.059 -0.590 0.000 0.904 246 L HN 0.319 nan 8.230 nan 0.000 0.435 247 S N -1.128 114.522 115.700 -0.083 0.000 2.399 247 S HA -0.098 4.371 4.470 -0.001 0.000 0.231 247 S C 2.146 176.703 174.600 -0.073 0.000 1.022 247 S CA 0.854 59.006 58.200 -0.079 0.000 0.983 247 S CB -1.196 61.958 63.200 -0.077 0.000 0.803 247 S HN 0.401 nan 8.310 nan 0.000 0.480 248 G N 1.188 109.993 108.800 0.008 0.000 2.402 248 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.216 248 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.216 248 G C 1.177 176.072 174.900 -0.008 0.000 1.162 248 G CA 0.803 45.910 45.100 0.012 0.000 0.777 248 G HN 0.635 nan 8.290 nan 0.000 0.539 249 H N 0.754 119.840 119.070 0.026 0.000 2.387 249 H HA 0.167 4.723 4.556 -0.001 0.000 0.299 249 H C 2.817 178.146 175.328 0.001 0.000 1.090 249 H CA 1.222 57.317 56.048 0.078 0.000 1.332 249 H CB -0.136 29.738 29.762 0.185 0.000 1.386 249 H HN 0.388 nan 8.280 nan 0.000 0.516 250 A N 1.223 124.073 122.820 0.049 0.000 1.940 250 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 250 A C 2.147 179.639 177.584 -0.153 0.000 1.176 250 A CA 1.463 53.471 52.037 -0.050 0.000 0.631 250 A CB -0.176 18.771 19.000 -0.088 0.000 0.814 250 A HN 0.179 nan 8.150 nan 0.000 0.446 251 K N -0.252 119.966 120.400 -0.303 0.000 2.057 251 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 251 K C 1.937 178.335 176.600 -0.336 0.000 1.049 251 K CA 1.091 57.003 56.287 -0.624 0.000 0.931 251 K CB -0.619 31.048 32.500 -1.387 0.000 0.714 251 K HN 0.558 nan 8.250 nan 0.000 0.440 252 L N 0.601 121.768 121.223 -0.094 0.000 2.017 252 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 252 L C 2.445 179.345 176.870 0.051 0.000 1.073 252 L CA 0.927 55.797 54.840 0.051 0.000 0.745 252 L CB -0.553 41.540 42.059 0.057 0.000 0.894 252 L HN -0.094 nan 8.230 nan 0.000 0.432 253 V N -0.124 119.822 119.914 0.054 0.000 2.332 253 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 253 V C 2.240 178.355 176.094 0.035 0.000 1.055 253 V CA 1.884 64.237 62.300 0.089 0.000 1.038 253 V CB -0.531 31.308 31.823 0.027 0.000 0.651 253 V HN 0.472 nan 8.190 nan 0.000 0.450 254 E N 0.072 120.251 120.200 -0.035 0.000 2.274 254 E HA -0.076 4.273 4.350 -0.001 0.000 0.194 254 E C 1.280 177.871 176.600 -0.016 0.000 0.996 254 E CA 0.810 57.180 56.400 -0.049 0.000 0.840 254 E CB -0.030 29.600 29.700 -0.117 0.000 0.772 254 E HN 0.616 nan 8.360 nan 0.000 0.491 255 N N 0.393 119.099 118.700 0.010 0.000 2.200 255 N HA 0.031 4.770 4.740 -0.001 0.000 0.224 255 N C -0.236 175.313 175.510 0.065 0.000 1.179 255 N CA 0.329 53.422 53.050 0.072 0.000 0.877 255 N CB 1.397 40.002 38.487 0.196 0.000 1.072 255 N HN 0.092 nan 8.380 nan 0.000 0.519 256 T N -2.671 111.913 114.554 0.050 0.000 2.812 256 T HA 0.459 4.809 4.350 -0.001 0.000 0.294 256 T C 0.182 174.902 174.700 0.034 0.000 1.159 256 T CA -0.760 61.357 62.100 0.029 0.000 1.008 256 T CB 2.227 71.106 68.868 0.019 0.000 1.289 256 T HN -0.099 nan 8.240 nan 0.000 0.514 257 R N 0.276 120.781 120.500 0.009 0.000 2.546 257 R HA 0.386 4.725 4.340 -0.001 0.000 0.320 257 R C 0.072 176.340 176.300 -0.053 0.000 1.021 257 R CA -0.372 55.727 56.100 -0.002 0.000 1.088 257 R CB 0.627 30.923 30.300 -0.007 0.000 1.278 257 R HN 0.518 nan 8.270 nan 0.000 0.557 258 S N 0.778 116.445 115.700 -0.056 0.000 2.652 258 S HA 0.333 4.802 4.470 -0.001 0.000 0.270 258 S C 0.299 174.728 174.600 -0.285 0.000 1.243 258 S CA -0.634 57.503 58.200 -0.105 0.000 0.999 258 S CB 1.454 64.640 63.200 -0.024 0.000 0.973 258 S HN 0.180 nan 8.310 nan 0.000 0.544 259 R N 1.210 121.508 120.500 -0.337 0.000 2.340 259 R HA 0.321 4.661 4.340 -0.001 0.000 0.300 259 R C -0.709 175.521 176.300 -0.117 0.000 1.069 259 R CA -0.212 55.535 56.100 -0.588 0.000 0.984 259 R CB 0.266 30.401 30.300 -0.276 0.000 1.003 259 R HN 0.400 nan 8.270 nan 0.000 0.459 260 I N 3.438 124.089 120.570 0.136 0.000 2.378 260 I HA 0.218 4.387 4.170 -0.001 0.000 0.291 260 I C 0.460 176.675 176.117 0.163 0.000 0.992 260 I CA -0.731 60.701 61.300 0.221 0.000 1.154 260 I CB 1.182 39.366 38.000 0.307 0.000 1.315 260 I HN 0.627 nan 8.210 nan 0.000 0.448 261 C N 4.247 123.554 119.300 0.012 0.000 2.335 261 C HA 0.966 5.425 4.460 -0.001 0.000 0.363 261 C C 0.872 175.758 174.990 -0.173 0.000 1.198 261 C CA -0.143 58.775 59.018 -0.167 0.000 2.279 261 C CB 1.258 28.726 27.740 -0.452 0.000 2.334 261 C HN 1.018 nan 8.230 nan 0.000 0.559 262 G N -1.312 107.215 108.800 -0.456 0.000 2.559 262 G HA2 0.642 4.601 3.960 -0.001 0.000 0.291 262 G HA3 0.642 4.601 3.960 -0.001 0.000 0.291 262 G C -0.169 173.938 174.900 -1.323 0.000 1.424 262 G CA 0.135 44.545 45.100 -1.150 0.000 0.786 262 G HN 1.991 nan 8.290 nan 0.000 0.485 263 A N -0.927 120.638 122.820 -2.092 0.000 3.021 263 A HA -0.160 4.159 4.320 -0.001 0.000 0.257 263 A C 0.796 178.266 177.584 -0.190 0.000 1.277 263 A CA 2.134 53.539 52.037 -1.053 0.000 1.012 263 A CB -2.178 16.262 19.000 -0.933 0.000 1.147 263 A HN 1.595 nan 8.150 nan 0.000 0.861 267 T N -1.223 113.476 114.554 0.241 0.000 2.912 267 T HA 0.822 5.171 4.350 -0.001 0.000 0.299 267 T C -0.007 174.834 174.700 0.235 0.000 1.052 267 T CA 0.318 62.560 62.100 0.237 0.000 0.996 267 T CB 0.651 69.664 68.868 0.242 0.000 1.070 267 T HN 2.845 nan 8.240 nan 0.000 0.465 268 T N 0.489 115.172 114.554 0.215 0.000 0.541 268 T HA -0.194 4.155 4.350 -0.001 0.000 0.774 268 T C 0.881 175.568 174.700 -0.021 0.000 0.992 268 T CA 0.602 62.784 62.100 0.137 0.000 4.077 268 T CB -0.906 68.116 68.868 0.257 0.000 2.303 268 T HN 1.440 nan 8.240 nan 0.000 0.398 269 R N 0.817 121.140 120.500 -0.295 0.000 2.235 269 R HA 0.094 4.433 4.340 -0.001 0.000 0.213 269 R C 1.745 177.904 176.300 -0.235 0.000 1.059 269 R CA 1.664 57.576 56.100 -0.313 0.000 0.997 269 R CB -0.469 29.551 30.300 -0.466 0.000 0.884 269 R HN 0.607 nan 8.270 nan 0.000 0.462 270 F N 2.064 122.062 119.950 0.079 0.000 2.146 270 F HA 0.030 4.556 4.527 -0.001 0.000 0.298 270 F C 2.269 178.124 175.800 0.093 0.000 1.096 270 F CA 0.982 59.027 58.000 0.075 0.000 1.275 270 F CB -0.497 38.552 39.000 0.081 0.000 1.008 270 F HN 0.021 nan 8.300 nan 0.000 0.480 271 E N 0.149 120.523 120.200 0.289 0.000 2.107 271 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 271 E C 2.412 179.215 176.600 0.337 0.000 0.982 271 E CA 0.820 57.384 56.400 0.272 0.000 0.809 271 E CB -0.276 29.611 29.700 0.313 0.000 0.756 271 E HN 0.334 nan 8.360 nan 0.000 0.459 272 A N 1.489 124.462 122.820 0.254 0.000 1.902 272 A HA -0.256 4.063 4.320 -0.001 0.000 0.217 272 A C 2.046 179.746 177.584 0.195 0.000 1.181 272 A CA 1.602 53.773 52.037 0.223 0.000 0.623 272 A CB -0.445 18.599 19.000 0.074 0.000 0.818 272 A HN 0.265 nan 8.150 nan 0.000 0.443 273 E N -0.314 119.964 120.200 0.130 0.000 2.085 273 E HA -0.257 4.092 4.350 -0.001 0.000 0.194 273 E C 1.997 178.653 176.600 0.094 0.000 0.994 273 E CA 1.408 57.867 56.400 0.098 0.000 0.801 273 E CB -0.165 29.593 29.700 0.096 0.000 0.743 273 E HN 0.754 nan 8.360 nan 0.000 0.453 274 E N -0.598 119.654 120.200 0.087 0.000 2.106 274 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 274 E C 1.667 178.239 176.600 -0.047 0.000 0.984 274 E CA 1.045 57.437 56.400 -0.013 0.000 0.806 274 E CB -0.155 29.497 29.700 -0.079 0.000 0.750 274 E HN 0.399 nan 8.360 nan 0.000 0.458 275 W N 0.703 121.975 121.300 -0.046 0.000 2.358 275 W HA -0.114 4.545 4.660 -0.001 0.000 0.303 275 W C 2.091 178.569 176.519 -0.069 0.000 1.208 275 W CA 0.710 58.002 57.345 -0.087 0.000 1.274 275 W CB -0.129 29.268 29.460 -0.105 0.000 1.138 275 W HN 0.111 nan 8.180 nan 0.000 0.515 276 I N -0.193 120.491 120.570 0.189 0.000 2.163 276 I HA -0.322 3.847 4.170 -0.001 0.000 0.240 276 I C 2.684 178.824 176.117 0.039 0.000 1.081 276 I CA 2.033 63.389 61.300 0.092 0.000 1.353 276 I CB -1.080 36.959 38.000 0.065 0.000 1.054 276 I HN 0.029 nan 8.210 nan 0.000 0.407 277 T N -1.550 113.018 114.554 0.024 0.000 2.851 277 T HA -0.159 4.190 4.350 -0.001 0.000 0.262 277 T C 1.894 176.577 174.700 -0.029 0.000 1.043 277 T CA 1.025 63.122 62.100 -0.005 0.000 1.140 277 T CB -0.140 68.726 68.868 -0.003 0.000 0.872 277 T HN 0.232 nan 8.240 nan 0.000 0.446 278 K N 0.751 121.120 120.400 -0.051 0.000 2.202 278 K HA 0.235 4.554 4.320 -0.001 0.000 0.201 278 K C 2.540 179.086 176.600 -0.090 0.000 1.051 278 K CA 0.736 56.971 56.287 -0.086 0.000 0.977 278 K CB -0.493 31.929 32.500 -0.129 0.000 0.792 278 K HN 0.403 nan 8.250 nan 0.000 0.469 279 G N 0.764 109.514 108.800 -0.082 0.000 2.511 279 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.217 279 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.217 279 G C 0.086 175.020 174.900 0.057 0.000 1.133 279 G CA 0.365 45.458 45.100 -0.013 0.000 0.792 279 G HN 0.357 nan 8.290 nan 0.000 0.539 280 K N -0.930 119.484 120.400 0.022 0.000 3.130 280 K HA -0.175 4.145 4.320 -0.001 0.000 0.282 280 K C 0.610 177.183 176.600 -0.045 0.000 1.145 280 K CA 0.406 56.678 56.287 -0.025 0.000 0.831 280 K CB -2.462 30.006 32.500 -0.053 0.000 1.226 280 K HN 0.520 nan 8.250 nan 0.000 0.478 281 V N -2.039 117.909 119.914 0.055 0.000 2.963 281 V HA 0.018 4.137 4.120 -0.001 0.000 0.306 281 V C 1.435 177.515 176.094 -0.023 0.000 1.077 281 V CA 0.111 62.454 62.300 0.071 0.000 1.124 281 V CB 1.005 32.911 31.823 0.138 0.000 0.987 281 V HN 0.216 nan 8.190 nan 0.000 0.487 282 H N 2.435 121.529 119.070 0.041 0.000 2.482 282 H HA 0.483 5.038 4.556 -0.001 0.000 0.286 282 H C 0.402 175.748 175.328 0.030 0.000 1.017 282 H CA 1.155 57.222 56.048 0.032 0.000 1.322 282 H CB 0.268 30.046 29.762 0.027 0.000 1.426 282 H HN 0.611 nan 8.280 nan 0.000 0.546 283 L N 0.520 121.815 121.223 0.121 0.000 2.482 283 L HA 0.376 4.715 4.340 -0.001 0.000 0.263 283 L C -1.694 175.137 176.870 -0.065 0.000 0.957 283 L CA -0.775 54.096 54.840 0.050 0.000 0.836 283 L CB 1.823 43.924 42.059 0.071 0.000 1.324 283 L HN -0.003 nan 8.230 nan 0.000 0.406 284 L N 4.043 125.231 121.223 -0.058 0.000 2.322 284 L HA 0.478 4.817 4.340 -0.001 0.000 0.279 284 L C 0.103 176.896 176.870 -0.128 0.000 1.036 284 L CA -0.265 54.488 54.840 -0.145 0.000 0.807 284 L CB 1.725 43.727 42.059 -0.095 0.000 1.226 284 L HN 0.687 nan 8.230 nan 0.000 0.433 285 Q N 0.649 120.337 119.800 -0.187 0.000 2.135 285 Q HA 0.191 4.530 4.340 -0.001 0.000 0.231 285 Q C -0.308 175.639 176.000 -0.087 0.000 0.817 285 Q CA -0.298 55.447 55.803 -0.096 0.000 1.073 285 Q CB 1.101 29.799 28.738 -0.066 0.000 1.176 285 Q HN 0.661 nan 8.270 nan 0.000 0.478 286 S N 2.197 117.818 115.700 -0.132 0.000 2.626 286 S HA -0.079 4.390 4.470 -0.001 0.000 0.303 286 S C -0.011 174.499 174.600 -0.150 0.000 1.256 286 S CA 0.404 58.541 58.200 -0.105 0.000 1.069 286 S CB 0.331 63.477 63.200 -0.090 0.000 0.807 286 S HN 0.241 nan 8.310 nan 0.000 0.500 287 D N 0.868 121.225 120.400 -0.073 0.000 2.304 287 D HA 0.135 4.774 4.640 -0.001 0.000 0.250 287 D C 0.756 177.020 176.300 -0.060 0.000 1.107 287 D CA -0.362 53.613 54.000 -0.041 0.000 0.885 287 D CB 0.485 41.340 40.800 0.092 0.000 1.192 287 D HN 0.528 nan 8.370 nan 0.000 0.436 288 Y N 2.422 122.730 120.300 0.014 0.000 2.114 288 Y HA -0.296 4.253 4.550 -0.001 0.000 0.282 288 Y C 1.882 177.817 175.900 0.059 0.000 1.165 288 Y CA 1.864 59.970 58.100 0.011 0.000 1.148 288 Y CB -0.442 38.012 38.460 -0.010 0.000 0.972 288 Y HN 0.495 nan 8.280 nan 0.000 0.504 289 N N -0.571 118.261 118.700 0.220 0.000 2.313 289 N HA 0.125 4.864 4.740 -0.001 0.000 0.207 289 N C 0.785 176.333 175.510 0.063 0.000 1.141 289 N CA 0.100 53.232 53.050 0.136 0.000 0.830 289 N CB 0.114 38.653 38.487 0.088 0.000 1.008 289 N HN 0.277 nan 8.380 nan 0.000 0.481 290 R N -0.799 119.750 120.500 0.081 0.000 2.756 290 R HA 0.164 4.503 4.340 -0.001 0.000 0.170 290 R C 1.463 177.960 176.300 0.328 0.000 0.800 290 R CA 0.704 56.877 56.100 0.120 0.000 1.052 290 R CB -0.455 29.776 30.300 -0.115 0.000 1.437 290 R HN 0.391 nan 8.270 nan 0.000 0.607 291 C N -0.176 119.250 119.300 0.210 0.000 2.500 291 C HA 0.407 4.867 4.460 -0.001 0.000 0.273 291 C C 1.391 176.552 174.990 0.285 0.000 1.428 291 C CA 0.483 59.631 59.018 0.216 0.000 1.766 291 C CB -0.425 27.382 27.740 0.111 0.000 1.817 291 C HN 0.686 nan 8.230 nan 0.000 0.543 292 G N -0.867 108.134 108.800 0.335 0.000 2.240 292 G HA2 0.454 4.413 3.960 -0.001 0.000 0.181 292 G HA3 0.454 4.413 3.960 -0.001 0.000 0.181 292 G C 0.713 175.937 174.900 0.540 0.000 1.028 292 G CA 0.327 45.744 45.100 0.529 0.000 0.760 292 G HN 2.132 nan 8.290 nan 0.000 0.508 293 G N -0.601 108.408 108.800 0.347 0.000 2.698 293 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.233 293 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.233 293 G C 1.019 176.062 174.900 0.239 0.000 1.352 293 G CA 0.075 45.365 45.100 0.317 0.000 0.879 293 G HN 1.071 nan 8.290 nan 0.000 0.567 294 L N -0.141 121.200 121.223 0.197 0.000 2.141 294 L HA -0.036 4.303 4.340 -0.001 0.000 0.209 294 L C 3.313 180.218 176.870 0.058 0.000 1.094 294 L CA 2.165 57.031 54.840 0.043 0.000 0.763 294 L CB -0.788 41.043 42.059 -0.379 0.000 0.908 294 L HN 0.747 nan 8.230 nan 0.000 0.437 295 T N -0.975 113.699 114.554 0.201 0.000 2.708 295 T HA -0.231 4.118 4.350 -0.001 0.000 0.266 295 T C 1.817 176.419 174.700 -0.163 0.000 1.037 295 T CA 1.644 63.792 62.100 0.080 0.000 1.146 295 T CB -0.078 68.818 68.868 0.048 0.000 0.865 295 T HN 0.227 nan 8.240 nan 0.000 0.435 296 E N 0.666 120.778 120.200 -0.148 0.000 2.152 296 E HA 0.066 4.415 4.350 -0.001 0.000 0.192 296 E C 1.976 178.518 176.600 -0.098 0.000 0.983 296 E CA 0.602 56.871 56.400 -0.218 0.000 0.818 296 E CB -0.406 29.287 29.700 -0.013 0.000 0.758 296 E HN 0.423 nan 8.360 nan 0.000 0.467 297 L N 0.018 121.234 121.223 -0.012 0.000 2.201 297 L HA -0.077 4.262 4.340 -0.001 0.000 0.212 297 L C 2.660 179.587 176.870 0.096 0.000 1.105 297 L CA 1.056 55.906 54.840 0.017 0.000 0.775 297 L CB -0.261 41.783 42.059 -0.025 0.000 0.913 297 L HN 0.121 nan 8.230 nan 0.000 0.440 298 R N 0.207 120.742 120.500 0.058 0.000 2.073 298 R HA -0.121 4.218 4.340 -0.001 0.000 0.229 298 R C 2.428 178.714 176.300 -0.023 0.000 1.120 298 R CA 1.170 57.289 56.100 0.033 0.000 0.967 298 R CB -0.008 30.299 30.300 0.012 0.000 0.862 298 R HN 0.236 nan 8.270 nan 0.000 0.436 299 R N 0.110 120.557 120.500 -0.088 0.000 2.092 299 R HA -0.043 4.296 4.340 -0.001 0.000 0.231 299 R C 2.339 178.588 176.300 -0.086 0.000 1.119 299 R CA 1.509 57.538 56.100 -0.117 0.000 0.970 299 R CB -0.253 29.917 30.300 -0.218 0.000 0.864 299 R HN 0.297 nan 8.270 nan 0.000 0.440 300 I N 0.103 120.627 120.570 -0.077 0.000 2.226 300 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 300 I C 1.969 178.086 176.117 0.000 0.000 1.100 300 I CA 1.399 62.672 61.300 -0.045 0.000 1.374 300 I CB -0.353 37.622 38.000 -0.042 0.000 1.057 300 I HN 0.187 nan 8.210 nan 0.000 0.413 301 T N 0.030 114.605 114.554 0.036 0.000 2.777 301 T HA -0.079 4.270 4.350 -0.001 0.000 0.266 301 T C 0.896 175.609 174.700 0.023 0.000 1.040 301 T CA 0.715 62.850 62.100 0.060 0.000 1.141 301 T CB -0.245 68.690 68.868 0.112 0.000 0.868 301 T HN 0.371 nan 8.240 nan 0.000 0.444 305 T N 1.034 115.603 114.554 0.025 0.000 2.708 305 T HA 0.015 4.364 4.350 -0.001 0.000 0.266 305 T C 2.080 176.790 174.700 0.016 0.000 1.037 305 T CA 2.237 64.350 62.100 0.022 0.000 1.146 305 T CB -0.401 68.475 68.868 0.014 0.000 0.865 305 T HN 0.921 nan 8.240 nan 0.000 0.435 306 A N 1.783 124.609 122.820 0.011 0.000 2.070 306 A HA -0.049 4.270 4.320 -0.001 0.000 0.220 306 A C 1.926 179.515 177.584 0.008 0.000 1.159 306 A CA 1.046 53.088 52.037 0.008 0.000 0.656 306 A CB -0.275 18.728 19.000 0.005 0.000 0.800 306 A HN 0.426 nan 8.150 nan 0.000 0.453 307 N N 0.374 119.080 118.700 0.011 0.000 2.235 307 N HA 0.012 4.751 4.740 -0.001 0.000 0.209 307 N C -0.600 174.915 175.510 0.008 0.000 1.122 307 N CA 0.023 53.077 53.050 0.008 0.000 0.845 307 N CB 0.095 38.587 38.487 0.009 0.000 1.004 307 N HN 0.392 nan 8.380 nan 0.000 0.499 308 N N 0.307 119.017 118.700 0.016 0.000 2.754 308 N HA -0.140 4.600 4.740 -0.001 0.000 0.248 308 N C -0.991 174.540 175.510 0.035 0.000 1.093 308 N CA 0.448 53.512 53.050 0.024 0.000 0.699 308 N CB -1.350 37.146 38.487 0.016 0.000 1.016 308 N HN 0.004 nan 8.380 nan 0.000 0.552 309 V N 0.960 120.899 119.914 0.041 0.000 2.495 309 V HA 0.235 4.354 4.120 -0.001 0.000 0.298 309 V C 0.621 176.763 176.094 0.079 0.000 1.031 309 V CA -0.698 61.636 62.300 0.057 0.000 0.871 309 V CB 2.309 34.156 31.823 0.039 0.000 0.988 309 V HN 0.092 nan 8.190 nan 0.000 0.432 310 Q N 2.036 121.904 119.800 0.114 0.000 2.317 310 Q HA 0.723 5.062 4.340 -0.001 0.000 0.229 310 Q C -0.845 175.234 176.000 0.132 0.000 0.984 310 Q CA -0.458 55.430 55.803 0.142 0.000 0.911 310 Q CB 2.074 30.938 28.738 0.210 0.000 1.217 310 Q HN 0.561 nan 8.270 nan 0.000 0.501 314 H N 3.058 122.090 119.070 -0.063 0.000 3.001 314 H HA 0.280 4.835 4.556 -0.001 0.000 0.334 314 H C -0.724 174.692 175.328 0.147 0.000 1.034 314 H CA 0.975 57.062 56.048 0.066 0.000 1.420 314 H CB 0.712 30.496 29.762 0.037 0.000 1.405 314 H HN 0.427 nan 8.280 nan 0.000 0.593 315 N N 5.705 124.207 118.700 -0.330 0.000 2.572 315 N HA 0.107 4.846 4.740 -0.001 0.000 0.287 315 N C -2.056 173.369 175.510 -0.142 0.000 1.136 315 N CA -0.628 52.369 53.050 -0.089 0.000 0.900 315 N CB 0.738 39.291 38.487 0.110 0.000 1.484 315 N HN 0.709 nan 8.380 nan 0.000 0.526 316 W N 5.937 127.066 121.300 -0.285 0.000 1.582 316 W HA 0.289 4.948 4.660 -0.001 0.000 0.315 316 W C -1.138 175.328 176.519 -0.088 0.000 0.995 316 W CA -0.270 56.959 57.345 -0.193 0.000 1.145 316 W CB 0.370 29.722 29.460 -0.181 0.000 1.208 316 W HN 0.616 nan 8.180 nan 0.000 0.346 317 K N 0.770 121.062 120.400 -0.180 0.000 3.271 317 K HA 0.526 4.845 4.320 -0.001 0.000 0.309 317 K C 0.799 177.248 176.600 -0.252 0.000 0.985 317 K CA 1.323 57.532 56.287 -0.130 0.000 1.306 317 K CB 0.413 32.886 32.500 -0.046 0.000 3.443 317 K HN 0.071 nan 8.250 nan 0.000 1.110 318 T N -3.265 111.166 114.554 -0.204 0.000 2.762 318 T HA 0.447 4.796 4.350 -0.001 0.000 0.272 318 T C 1.190 175.739 174.700 -0.252 0.000 0.982 318 T CA -0.226 61.737 62.100 -0.229 0.000 1.013 318 T CB 1.001 69.786 68.868 -0.137 0.000 1.309 318 T HN 0.359 nan 8.240 nan 0.000 0.572 319 G N -0.286 108.375 108.800 -0.232 0.000 2.535 319 G HA2 0.012 3.971 3.960 -0.001 0.000 0.218 319 G HA3 0.012 3.971 3.960 -0.001 0.000 0.218 319 G C 1.282 176.087 174.900 -0.158 0.000 1.122 319 G CA 0.545 45.515 45.100 -0.217 0.000 0.769 319 G HN 0.715 nan 8.290 nan 0.000 0.549 320 I N 0.554 121.048 120.570 -0.127 0.000 2.233 320 I HA -0.124 4.045 4.170 -0.001 0.000 0.243 320 I C 2.889 178.930 176.117 -0.127 0.000 1.093 320 I CA 1.366 62.611 61.300 -0.092 0.000 1.380 320 I CB -0.461 37.503 38.000 -0.059 0.000 1.067 320 I HN 0.040 nan 8.210 nan 0.000 0.413 321 T N -0.094 114.363 114.554 -0.161 0.000 2.821 321 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 321 T C 2.123 176.620 174.700 -0.338 0.000 1.046 321 T CA 1.416 63.373 62.100 -0.238 0.000 1.139 321 T CB -0.107 68.660 68.868 -0.168 0.000 0.871 321 T HN 0.225 nan 8.240 nan 0.000 0.454 322 S N 1.372 116.888 115.700 -0.307 0.000 2.370 322 S HA -0.072 4.398 4.470 -0.001 0.000 0.226 322 S C 2.547 177.104 174.600 -0.071 0.000 1.033 322 S CA 1.019 59.023 58.200 -0.327 0.000 1.011 322 S CB -0.482 62.378 63.200 -0.566 0.000 0.852 322 S HN 0.606 nan 8.310 nan 0.000 0.457 323 A N 1.446 124.219 122.820 -0.078 0.000 1.898 323 A HA 0.140 4.460 4.320 -0.001 0.000 0.216 323 A C 2.353 179.981 177.584 0.073 0.000 1.181 323 A CA 1.643 53.699 52.037 0.031 0.000 0.620 323 A CB -1.059 17.949 19.000 0.013 0.000 0.819 323 A HN 0.515 nan 8.150 nan 0.000 0.442 324 A N -0.131 122.630 122.820 -0.098 0.000 1.933 324 A HA 0.157 4.476 4.320 -0.001 0.000 0.218 324 A C 2.465 179.944 177.584 -0.176 0.000 1.175 324 A CA 2.020 53.971 52.037 -0.144 0.000 0.628 324 A CB -0.915 17.930 19.000 -0.257 0.000 0.814 324 A HN 1.027 nan 8.150 nan 0.000 0.444 325 A N -0.042 122.549 122.820 -0.381 0.000 1.902 325 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 325 A C 2.114 179.727 177.584 0.049 0.000 1.181 325 A CA 1.487 53.437 52.037 -0.145 0.000 0.623 325 A CB -0.556 18.510 19.000 0.110 0.000 0.818 325 A HN 0.497 nan 8.150 nan 0.000 0.443 326 I N -1.255 119.376 120.570 0.101 0.000 2.226 326 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 326 I C 2.473 178.604 176.117 0.023 0.000 1.100 326 I CA 1.264 62.551 61.300 -0.021 0.000 1.374 326 I CB -0.543 37.441 38.000 -0.027 0.000 1.057 326 I HN 0.434 nan 8.210 nan 0.000 0.413 327 H N -0.681 118.449 119.070 0.100 0.000 2.357 327 H HA -0.220 4.335 4.556 -0.001 0.000 0.301 327 H C 2.127 177.531 175.328 0.125 0.000 1.082 327 H CA 2.070 58.218 56.048 0.166 0.000 1.342 327 H CB -0.298 29.547 29.762 0.138 0.000 1.389 327 H HN 0.383 nan 8.280 nan 0.000 0.511 328 Y N 2.180 122.541 120.300 0.102 0.000 2.097 328 Y HA -0.313 4.237 4.550 -0.001 0.000 0.282 328 Y C 2.824 178.689 175.900 -0.059 0.000 1.152 328 Y CA 2.124 60.260 58.100 0.061 0.000 1.136 328 Y CB -0.257 38.331 38.460 0.214 0.000 0.975 328 Y HN 0.041 nan 8.280 nan 0.000 0.498 329 Q N -0.160 119.500 119.800 -0.234 0.000 2.135 329 Q HA -0.176 4.163 4.340 -0.001 0.000 0.204 329 Q C 1.901 177.616 176.000 -0.476 0.000 0.981 329 Q CA 2.145 57.635 55.803 -0.521 0.000 0.856 329 Q CB -0.721 27.369 28.738 -1.080 0.000 0.902 329 Q HN 0.574 nan 8.270 nan 0.000 0.425 330 F N -0.877 118.855 119.950 -0.364 0.000 2.146 330 F HA -0.023 4.504 4.527 -0.001 0.000 0.298 330 F C 2.130 177.774 175.800 -0.260 0.000 1.096 330 F CA 1.354 59.142 58.000 -0.353 0.000 1.275 330 F CB -0.365 38.301 39.000 -0.556 0.000 1.008 330 F HN 0.210 nan 8.300 nan 0.000 0.480 331 A N -1.594 121.224 122.820 -0.003 0.000 2.085 331 A HA 0.240 4.559 4.320 -0.001 0.000 0.208 331 A C 1.789 179.297 177.584 -0.127 0.000 1.191 331 A CA 0.959 53.002 52.037 0.011 0.000 0.799 331 A CB -0.233 18.854 19.000 0.145 0.000 0.877 331 A HN 0.127 nan 8.150 nan 0.000 0.473 332 V N -0.769 118.938 119.914 -0.346 0.000 3.359 332 V HA 0.212 4.332 4.120 -0.001 0.000 0.245 332 V C 1.577 177.338 176.094 -0.555 0.000 1.247 332 V CA 0.247 62.277 62.300 -0.450 0.000 1.145 332 V CB -0.662 30.848 31.823 -0.521 0.000 0.906 332 V HN 0.460 nan 8.190 nan 0.000 0.464 333 G N 2.701 111.009 108.800 -0.820 0.000 2.368 333 G HA2 0.013 3.972 3.960 -0.001 0.000 0.233 333 G HA3 0.013 3.972 3.960 -0.001 0.000 0.233 333 G C 0.500 175.312 174.900 -0.147 0.000 1.267 333 G CA 0.678 45.535 45.100 -0.406 0.000 0.873 333 G HN 0.625 nan 8.290 nan 0.000 0.539 334 N N -0.060 118.635 118.700 -0.008 0.000 2.170 334 N HA 0.372 5.111 4.740 -0.001 0.000 0.222 334 N C 0.216 175.756 175.510 0.051 0.000 1.218 334 N CA 0.240 53.296 53.050 0.011 0.000 0.889 334 N CB 0.753 39.257 38.487 0.029 0.000 1.083 334 N HN 0.638 nan 8.380 nan 0.000 0.520 335 A N 0.626 123.498 122.820 0.087 0.000 2.384 335 A HA 0.727 5.046 4.320 -0.001 0.000 0.312 335 A C -1.824 175.780 177.584 0.033 0.000 1.113 335 A CA -1.508 50.598 52.037 0.115 0.000 0.779 335 A CB 1.138 20.274 19.000 0.226 0.000 1.307 335 A HN -0.045 nan 8.150 nan 0.000 0.436 336 P HA -0.052 nan 4.420 nan 0.000 0.218 336 P C -0.550 176.447 177.300 -0.505 0.000 1.148 336 P CA 1.603 64.455 63.100 -0.413 0.000 0.822 336 P CB -0.068 31.220 31.700 -0.687 0.000 0.784 337 Y N -2.024 118.369 120.300 0.154 0.000 2.698 337 Y HA 0.607 5.157 4.550 -0.001 0.000 0.332 337 Y C 0.005 176.179 175.900 0.456 0.000 1.119 337 Y CA -1.579 56.667 58.100 0.243 0.000 1.109 337 Y CB 0.867 39.382 38.460 0.091 0.000 1.308 337 Y HN -0.243 nan 8.280 nan 0.000 0.499 338 F N -1.880 118.298 119.950 0.379 0.000 2.678 338 F HA 0.569 5.095 4.527 -0.001 0.000 0.308 338 F C -0.998 174.786 175.800 -0.026 0.000 1.118 338 F CA -1.365 56.800 58.000 0.275 0.000 0.959 338 F CB 1.546 40.719 39.000 0.289 0.000 1.305 338 F HN 0.480 nan 8.300 nan 0.000 0.443 339 E N 1.899 121.977 120.200 -0.202 0.000 2.360 339 E HA 0.308 4.657 4.350 -0.001 0.000 0.269 339 E C -2.002 174.389 176.600 -0.348 0.000 1.022 339 E CA -0.203 55.733 56.400 -0.774 0.000 0.887 339 E CB 0.880 30.365 29.700 -0.359 0.000 0.990 339 E HN 0.683 nan 8.360 nan 0.000 0.426 340 Y N 3.016 122.968 120.300 -0.580 0.000 2.519 340 Y HA 0.389 4.938 4.550 -0.001 0.000 0.336 340 Y C -1.735 174.048 175.900 -0.196 0.000 1.089 340 Y CA -0.911 57.002 58.100 -0.311 0.000 1.025 340 Y CB 1.748 39.998 38.460 -0.349 0.000 1.318 340 Y HN 0.367 nan 8.280 nan 0.000 0.452 341 V N 6.568 126.225 119.914 -0.429 0.000 2.409 341 V HA 0.426 4.545 4.120 -0.001 0.000 0.291 341 V C -1.327 174.620 176.094 -0.244 0.000 1.020 341 V CA -0.185 61.934 62.300 -0.301 0.000 0.848 341 V CB 0.927 32.381 31.823 -0.615 0.000 0.990 341 V HN 0.870 nan 8.190 nan 0.000 0.430 342 H N 7.657 126.738 119.070 0.018 0.000 2.457 342 H HA 0.480 5.035 4.556 -0.001 0.000 0.335 342 H C -2.166 173.194 175.328 0.055 0.000 1.115 342 H CA -1.795 54.354 56.048 0.169 0.000 1.219 342 H CB 2.749 32.740 29.762 0.380 0.000 1.471 342 H HN 0.408 nan 8.280 nan 0.000 0.491 343 P HA -0.160 nan 4.420 nan 0.000 0.216 343 P C 0.550 177.833 177.300 -0.029 0.000 1.154 343 P CA 1.499 64.475 63.100 -0.208 0.000 0.865 343 P CB 0.287 31.777 31.700 -0.349 0.000 0.789 344 E N -2.482 117.847 120.200 0.215 0.000 2.511 344 E HA 0.004 4.353 4.350 -0.001 0.000 0.196 344 E C 0.077 176.379 176.600 -0.497 0.000 1.066 344 E CA 0.332 56.663 56.400 -0.115 0.000 0.871 344 E CB -0.251 29.353 29.700 -0.160 0.000 0.863 344 E HN 0.356 nan 8.360 nan 0.000 0.520 345 F N 0.103 120.081 119.950 0.047 0.000 2.777 345 F HA 0.210 4.736 4.527 -0.001 0.000 0.361 345 F C -0.268 175.548 175.800 0.027 0.000 1.254 345 F CA -0.750 57.251 58.000 0.003 0.000 1.181 345 F CB 0.996 39.996 39.000 -0.000 0.000 1.082 345 F HN -0.004 nan 8.300 nan 0.000 0.510 346 C N -2.472 116.884 119.300 0.094 0.000 3.175 346 C HA 0.433 4.892 4.460 -0.001 0.000 0.399 346 C C -1.446 173.532 174.990 -0.019 0.000 1.053 346 C CA -1.279 57.783 59.018 0.074 0.000 1.102 346 C CB 0.697 28.451 27.740 0.023 0.000 1.488 346 C HN 0.140 nan 8.230 nan 0.000 0.580 347 D N 1.093 121.506 120.400 0.022 0.000 2.255 347 D HA 0.652 5.291 4.640 -0.001 0.000 0.249 347 D C 0.432 176.704 176.300 -0.046 0.000 1.078 347 D CA 1.019 55.011 54.000 -0.014 0.000 0.896 347 D CB 1.702 42.523 40.800 0.035 0.000 1.194 347 D HN 1.649 nan 8.370 nan 0.000 0.429 348 G N 1.637 110.368 108.800 -0.115 0.000 1.873 348 G HA2 0.048 4.008 3.960 -0.001 0.000 0.199 348 G HA3 0.048 4.008 3.960 -0.001 0.000 0.199 348 G C 0.306 175.035 174.900 -0.285 0.000 1.821 348 G CA -0.569 44.430 45.100 -0.168 0.000 0.955 348 G HN 0.187 nan 8.290 nan 0.000 0.616 349 E N 1.165 121.174 120.200 -0.319 0.000 2.110 349 E HA -0.056 4.293 4.350 -0.001 0.000 0.193 349 E C 2.522 178.870 176.600 -0.419 0.000 0.988 349 E CA 0.861 57.044 56.400 -0.361 0.000 0.804 349 E CB 0.111 29.487 29.700 -0.539 0.000 0.745 349 E HN 0.463 nan 8.360 nan 0.000 0.458 350 L N 0.621 121.646 121.223 -0.330 0.000 1.989 350 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 350 L C 2.377 179.095 176.870 -0.253 0.000 1.071 350 L CA 1.667 56.424 54.840 -0.139 0.000 0.749 350 L CB -0.319 41.725 42.059 -0.025 0.000 0.890 350 L HN -0.019 nan 8.230 nan 0.000 0.431 351 R N -0.050 120.261 120.500 -0.314 0.000 2.081 351 R HA -0.151 4.189 4.340 -0.001 0.000 0.235 351 R C 2.150 178.187 176.300 -0.439 0.000 1.131 351 R CA 1.754 57.628 56.100 -0.376 0.000 0.960 351 R CB -0.280 29.749 30.300 -0.451 0.000 0.856 351 R HN 0.321 nan 8.270 nan 0.000 0.436 352 K N -1.463 118.603 120.400 -0.556 0.000 2.103 352 K HA -0.089 4.230 4.320 -0.001 0.000 0.204 352 K C 1.476 177.549 176.600 -0.878 0.000 1.052 352 K CA 1.553 57.380 56.287 -0.767 0.000 0.945 352 K CB -0.014 31.877 32.500 -1.015 0.000 0.722 352 K HN 0.259 nan 8.250 nan 0.000 0.443 353 Y N -0.524 119.409 120.300 -0.612 0.000 2.535 353 Y HA 0.082 4.632 4.550 -0.001 0.000 0.266 353 Y C 1.720 177.258 175.900 -0.603 0.000 1.088 353 Y CA -0.541 57.099 58.100 -0.766 0.000 1.285 353 Y CB -0.260 37.354 38.460 -1.409 0.000 1.166 353 Y HN -0.128 nan 8.280 nan 0.000 0.525 354 L N 0.681 121.710 121.223 -0.324 0.000 2.011 354 L HA -0.165 4.175 4.340 -0.001 0.000 0.225 354 L C 0.895 177.785 176.870 0.033 0.000 1.084 354 L CA 1.804 56.661 54.840 0.029 0.000 0.791 354 L CB -0.635 41.452 42.059 0.047 0.000 0.898 354 L HN 0.058 nan 8.230 nan 0.000 0.440 355 V N -4.786 115.103 119.914 -0.042 0.000 3.019 355 V HA 0.751 4.870 4.120 -0.001 0.000 0.317 355 V C -0.178 175.895 176.094 -0.035 0.000 1.094 355 V CA -0.096 62.194 62.300 -0.017 0.000 1.000 355 V CB 1.574 33.384 31.823 -0.022 0.000 1.060 355 V HN 0.243 nan 8.190 nan 0.000 0.443 356 T N 2.392 116.942 114.554 -0.006 0.000 2.900 356 T HA 0.706 5.055 4.350 -0.001 0.000 0.303 356 T C -3.048 171.655 174.700 0.005 0.000 1.142 356 T CA -1.176 60.920 62.100 -0.007 0.000 1.007 356 T CB 2.311 71.187 68.868 0.014 0.000 1.156 356 T HN 0.946 nan 8.240 nan 0.000 0.490 357 P HA 0.476 nan 4.420 nan 0.000 0.283 357 P C -1.096 176.191 177.300 -0.022 0.000 1.278 357 P CA -0.500 62.597 63.100 -0.005 0.000 0.834 357 P CB 1.035 32.741 31.700 0.009 0.000 1.150 358 E N 0.309 120.492 120.200 -0.028 0.000 2.283 358 E HA 0.467 4.816 4.350 -0.001 0.000 0.278 358 E C -0.494 176.115 176.600 0.015 0.000 1.027 358 E CA -0.635 55.742 56.400 -0.038 0.000 0.843 358 E CB 0.545 30.202 29.700 -0.073 0.000 1.062 358 E HN 0.491 nan 8.360 nan 0.000 0.401 359 A N 4.569 127.392 122.820 0.006 0.000 2.440 359 A HA 0.166 4.486 4.320 -0.001 0.000 0.251 359 A C -0.089 177.640 177.584 0.241 0.000 1.089 359 A CA -0.306 51.740 52.037 0.015 0.000 0.779 359 A CB 0.267 19.084 19.000 -0.304 0.000 1.022 359 A HN 0.610 nan 8.150 nan 0.000 0.492 360 E N 1.170 121.528 120.200 0.265 0.000 2.180 360 E HA 0.197 4.546 4.350 -0.001 0.000 0.283 360 E C -1.053 175.768 176.600 0.369 0.000 1.061 360 E CA -0.308 56.267 56.400 0.293 0.000 0.861 360 E CB 1.141 30.938 29.700 0.162 0.000 1.056 360 E HN 0.499 nan 8.360 nan 0.000 0.407 361 L N 5.269 126.664 121.223 0.286 0.000 2.260 361 L HA 0.208 4.547 4.340 -0.001 0.000 0.289 361 L C -0.977 175.830 176.870 -0.105 0.000 1.057 361 L CA -0.393 54.361 54.840 -0.143 0.000 0.811 361 L CB 1.032 42.923 42.059 -0.280 0.000 1.184 361 L HN 0.136 nan 8.230 nan 0.000 0.429 362 V N 4.818 124.644 119.914 -0.147 0.000 2.483 362 V HA 0.312 4.432 4.120 -0.001 0.000 0.297 362 V C 0.076 176.111 176.094 -0.099 0.000 1.027 362 V CA -0.617 61.631 62.300 -0.085 0.000 0.855 362 V CB 1.325 33.128 31.823 -0.034 0.000 0.995 362 V HN 0.823 nan 8.190 nan 0.000 0.424 363 D N 4.160 124.515 120.400 -0.075 0.000 2.751 363 D HA -0.170 4.470 4.640 -0.001 0.000 0.233 363 D C 1.241 177.520 176.300 -0.035 0.000 1.149 363 D CA 2.026 56.000 54.000 -0.043 0.000 0.682 363 D CB -1.014 39.778 40.800 -0.013 0.000 1.068 363 D HN 1.612 nan 8.370 nan 0.000 0.429 364 G N -2.141 106.593 108.800 -0.110 0.000 2.162 364 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.260 364 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.260 364 G C 0.579 175.343 174.900 -0.228 0.000 0.976 364 G CA 0.427 45.443 45.100 -0.141 0.000 0.655 364 G HN 1.250 nan 8.290 nan 0.000 0.533 365 G N -1.323 107.245 108.800 -0.386 0.000 2.642 365 G HA2 0.735 4.694 3.960 -0.001 0.000 0.293 365 G HA3 0.735 4.694 3.960 -0.001 0.000 0.293 365 G C -1.117 173.437 174.900 -0.577 0.000 1.341 365 G CA -1.083 43.613 45.100 -0.673 0.000 0.916 365 G HN 0.308 nan 8.290 nan 0.000 0.474 366 F N 0.546 120.369 119.950 -0.212 0.000 2.480 366 F HA 0.719 5.245 4.527 -0.001 0.000 0.329 366 F C 0.853 176.688 175.800 0.058 0.000 1.091 366 F CA -0.730 57.237 58.000 -0.055 0.000 0.972 366 F CB 2.089 41.085 39.000 -0.006 0.000 1.150 366 F HN 0.647 nan 8.300 nan 0.000 0.467 367 A N 2.756 125.737 122.820 0.269 0.000 2.259 367 A HA 0.456 4.775 4.320 -0.001 0.000 0.278 367 A C -0.073 177.546 177.584 0.057 0.000 1.107 367 A CA -0.803 51.336 52.037 0.171 0.000 0.828 367 A CB 0.334 19.376 19.000 0.070 0.000 1.111 367 A HN 0.721 nan 8.150 nan 0.000 0.498 368 K N 1.078 121.336 120.400 -0.238 0.000 2.416 368 K HA 0.228 4.547 4.320 -0.001 0.000 0.283 368 K C -2.416 173.938 176.600 -0.412 0.000 1.037 368 K CA -0.988 54.807 56.287 -0.820 0.000 0.995 368 K CB -0.163 31.912 32.500 -0.708 0.000 0.938 368 K HN 0.383 nan 8.250 nan 0.000 0.475 369 P HA -0.060 nan 4.420 nan 0.000 0.267 369 P C 0.470 177.776 177.300 0.009 0.000 1.200 369 P CA 0.163 63.180 63.100 -0.139 0.000 0.772 369 P CB 0.628 32.207 31.700 -0.203 0.000 0.855 370 T N -1.953 112.615 114.554 0.023 0.000 2.954 370 T HA 0.397 4.747 4.350 -0.001 0.000 0.252 370 T C 0.783 175.498 174.700 0.025 0.000 0.983 370 T CA -0.044 62.070 62.100 0.023 0.000 0.941 370 T CB -0.112 68.760 68.868 0.006 0.000 1.141 370 T HN 0.423 nan 8.240 nan 0.000 0.500 371 A N 2.926 125.770 122.820 0.040 0.000 2.366 371 A HA 0.642 4.962 4.320 -0.001 0.000 0.249 371 A C -2.531 175.067 177.584 0.024 0.000 1.084 371 A CA -1.332 50.721 52.037 0.027 0.000 0.794 371 A CB -0.255 18.763 19.000 0.030 0.000 1.034 371 A HN 0.234 nan 8.150 nan 0.000 0.491 372 P HA 0.372 nan 4.420 nan 0.000 0.272 372 P C 1.056 178.334 177.300 -0.038 0.000 1.230 372 P CA 1.453 64.535 63.100 -0.031 0.000 0.788 372 P CB 0.549 32.221 31.700 -0.046 0.000 0.949 373 G N 1.083 109.847 108.800 -0.059 0.000 2.614 373 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.303 373 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.303 373 G C 0.667 175.456 174.900 -0.184 0.000 1.270 373 G CA 0.247 45.294 45.100 -0.088 0.000 0.988 373 G HN 0.509 nan 8.290 nan 0.000 0.551 374 L N 2.277 123.395 121.223 -0.175 0.000 2.599 374 L HA 0.349 4.688 4.340 -0.001 0.000 0.230 374 L C 2.214 179.068 176.870 -0.027 0.000 1.141 374 L CA 0.783 55.480 54.840 -0.238 0.000 0.877 374 L CB -0.564 41.412 42.059 -0.139 0.000 1.009 374 L HN 1.812 nan 8.230 nan 0.000 0.447 375 G N 2.007 110.810 108.800 0.005 0.000 2.305 375 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.287 375 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.287 375 G C 0.093 175.010 174.900 0.029 0.000 1.036 375 G CA 0.860 45.985 45.100 0.041 0.000 0.887 375 G HN 0.543 nan 8.290 nan 0.000 0.505 376 I N -4.638 115.944 120.570 0.019 0.000 3.095 376 I HA 0.938 5.107 4.170 -0.001 0.000 0.310 376 I C -1.158 174.990 176.117 0.051 0.000 1.196 376 I CA -1.393 59.921 61.300 0.023 0.000 0.985 376 I CB 2.729 40.733 38.000 0.007 0.000 1.250 376 I HN -0.013 nan 8.210 nan 0.000 0.446 377 D N 2.361 122.797 120.400 0.060 0.000 2.623 377 D HA 0.456 5.096 4.640 -0.001 0.000 0.241 377 D C -1.254 175.094 176.300 0.080 0.000 1.241 377 D CA -0.420 53.644 54.000 0.107 0.000 0.788 377 D CB 2.922 43.799 40.800 0.128 0.000 1.413 377 D HN 0.652 nan 8.370 nan 0.000 0.429 378 L N 2.036 123.309 121.223 0.084 0.000 2.453 378 L HA 0.140 4.479 4.340 -0.001 0.000 0.272 378 L C 0.741 177.660 176.870 0.082 0.000 1.182 378 L CA -0.191 54.688 54.840 0.066 0.000 0.858 378 L CB 0.140 42.217 42.059 0.030 0.000 1.120 378 L HN 0.279 nan 8.230 nan 0.000 0.474 379 N N 2.597 121.361 118.700 0.107 0.000 2.555 379 N HA 0.015 4.755 4.740 -0.001 0.000 0.244 379 N C 0.920 176.513 175.510 0.138 0.000 1.114 379 N CA -0.168 52.956 53.050 0.123 0.000 0.963 379 N CB 0.615 39.190 38.487 0.146 0.000 1.276 379 N HN 0.441 nan 8.380 nan 0.000 0.510 380 Q N 1.809 121.662 119.800 0.089 0.000 2.118 380 Q HA -0.252 4.087 4.340 -0.001 0.000 0.211 380 Q C 0.919 176.957 176.000 0.062 0.000 0.998 380 Q CA 1.696 57.537 55.803 0.062 0.000 0.872 380 Q CB -0.125 28.640 28.738 0.045 0.000 0.925 380 Q HN 0.735 nan 8.270 nan 0.000 0.414 381 E N -0.113 120.132 120.200 0.075 0.000 2.013 381 E HA -0.190 4.160 4.350 -0.001 0.000 0.202 381 E C 1.841 178.490 176.600 0.081 0.000 1.018 381 E CA 1.094 57.533 56.400 0.064 0.000 0.834 381 E CB -0.405 29.334 29.700 0.066 0.000 0.770 381 E HN 0.270 nan 8.360 nan 0.000 0.459 382 F N 1.701 121.641 119.950 -0.016 0.000 2.115 382 F HA -0.243 4.284 4.527 -0.001 0.000 0.300 382 F C 2.214 178.028 175.800 0.023 0.000 1.092 382 F CA 1.304 59.298 58.000 -0.011 0.000 1.245 382 F CB -0.348 38.658 39.000 0.010 0.000 0.995 382 F HN -0.027 nan 8.300 nan 0.000 0.481 383 L N -0.220 121.006 121.223 0.004 0.000 2.083 383 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 383 L C 2.393 179.190 176.870 -0.122 0.000 1.083 383 L CA 1.176 55.968 54.840 -0.080 0.000 0.752 383 L CB -0.779 41.292 42.059 0.019 0.000 0.899 383 L HN 0.232 nan 8.230 nan 0.000 0.433 384 A N -1.504 121.270 122.820 -0.076 0.000 2.263 384 A HA -0.040 4.280 4.320 -0.001 0.000 0.205 384 A C 1.387 178.909 177.584 -0.103 0.000 1.226 384 A CA 1.143 53.139 52.037 -0.069 0.000 0.810 384 A CB -0.319 18.660 19.000 -0.035 0.000 0.784 384 A HN 0.421 nan 8.150 nan 0.000 0.486 385 S N -1.055 114.538 115.700 -0.179 0.000 2.941 385 S HA 0.446 4.916 4.470 -0.001 0.000 0.251 385 S C -0.120 174.333 174.600 -0.245 0.000 1.029 385 S CA -0.344 57.739 58.200 -0.195 0.000 1.062 385 S CB -0.289 62.790 63.200 -0.202 0.000 0.977 385 S HN 0.595 nan 8.310 nan 0.000 0.552 386 L N 0.000 121.097 121.223 -0.210 0.000 2.949 386 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 386 L CA 0.000 54.736 54.840 -0.174 0.000 0.813 386 L CB 0.000 41.977 42.059 -0.138 0.000 0.961 386 L HN 0.000 nan 8.230 nan 0.000 0.502