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 3m3n_1_B DATA FIRST_RESID 3 DATA SEQUENCE DETTALVCDN GSGLVKAGFA GDDAPRAVFP SIVGRPRHQX XXXXXXXKDS DATA SEQUENCE YVGDEAQSKR GILTLKYPIE XGIITNWDDM EKIWHHTFYN ELRVAPEEHP DATA SEQUENCE TLLTEAPLNP KANREKMTQI MFETFNVPAM YVAIQAVLSL YASGRTTGIV DATA SEQUENCE LDSGDGVTHN VPIYEGYALP HAIMRLDLAG RDLTDYLMKI LTERGYSFVT DATA SEQUENCE TAEREIVRDI KEKLCYVALD FENEMATAAS SSSLEKSYEL PDGQVITIGN DATA SEQUENCE ERFRCPETLF QPSFIGMESA GIHETTYNSI MKCDIDIRKD LYANNVMSGG DATA SEQUENCE TTMYPGIADR MQKEITALAP STMKIKIIAP PERKYSVWIG GSILASLSTF DATA SEQUENCE QQMWITKQEY DEAGPSI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.323 176.300 0.039 0.000 2.045 3 D CA 0.000 53.889 54.000 -0.186 0.000 0.868 3 D CB 0.000 40.429 40.800 -0.618 0.000 0.688 4 E N -0.108 120.152 120.200 0.100 0.000 2.356 4 E HA 0.477 4.827 4.350 0.001 0.000 0.275 4 E C 0.411 177.018 176.600 0.011 0.000 0.904 4 E CA -0.591 55.893 56.400 0.140 0.000 0.757 4 E CB 1.412 31.148 29.700 0.061 0.000 1.232 4 E HN 0.320 nan 8.360 nan 0.000 0.442 5 T N -0.626 113.810 114.554 -0.197 0.000 6.387 5 T HA -0.237 4.113 4.350 0.001 0.000 0.290 5 T C 0.269 174.939 174.700 -0.050 0.000 1.901 5 T CA 1.914 63.893 62.100 -0.202 0.000 3.035 5 T CB -2.839 65.962 68.868 -0.112 0.000 1.917 5 T HN 1.002 nan 8.240 nan 0.000 1.121 6 T N -0.854 113.771 114.554 0.118 0.000 2.897 6 T HA 0.821 5.171 4.350 0.001 0.000 0.278 6 T C 0.540 175.416 174.700 0.295 0.000 0.981 6 T CA -0.559 61.669 62.100 0.214 0.000 0.973 6 T CB 1.696 70.721 68.868 0.262 0.000 1.092 6 T HN 1.285 nan 8.240 nan 0.000 0.543 7 A N 0.826 123.795 122.820 0.248 0.000 2.316 7 A HA 0.687 5.008 4.320 0.001 0.000 0.284 7 A C -0.234 177.475 177.584 0.209 0.000 1.115 7 A CA -0.872 51.292 52.037 0.211 0.000 0.812 7 A CB -0.055 19.133 19.000 0.313 0.000 1.064 7 A HN 0.821 nan 8.150 nan 0.000 0.489 8 L N 1.598 122.895 121.223 0.123 0.000 2.331 8 L HA 0.595 4.936 4.340 0.001 0.000 0.275 8 L C -0.804 176.109 176.870 0.071 0.000 1.022 8 L CA -0.840 54.017 54.840 0.029 0.000 0.812 8 L CB 1.933 43.977 42.059 -0.025 0.000 1.257 8 L HN 0.414 nan 8.230 nan 0.000 0.435 9 V N 1.393 121.332 119.914 0.042 0.000 2.487 9 V HA 0.355 4.476 4.120 0.001 0.000 0.298 9 V C -0.812 175.374 176.094 0.154 0.000 1.028 9 V CA -0.566 61.716 62.300 -0.029 0.000 0.860 9 V CB 1.844 33.380 31.823 -0.478 0.000 0.991 9 V HN 0.864 nan 8.190 nan 0.000 0.427 10 C N 4.317 123.686 119.300 0.115 0.000 2.478 10 C HA 0.587 5.047 4.460 0.001 0.000 0.334 10 C C -0.843 174.250 174.990 0.172 0.000 1.106 10 C CA -0.557 58.564 59.018 0.171 0.000 1.363 10 C CB 0.192 27.990 27.740 0.096 0.000 1.941 10 C HN 0.985 nan 8.230 nan 0.000 0.436 11 D N 4.376 124.914 120.400 0.229 0.000 2.392 11 D HA 0.305 4.945 4.640 0.001 0.000 0.228 11 D C -0.356 175.996 176.300 0.087 0.000 1.074 11 D CA 0.064 54.163 54.000 0.165 0.000 0.838 11 D CB 0.649 41.584 40.800 0.225 0.000 1.067 11 D HN 0.591 nan 8.370 nan 0.000 0.511 12 N N 3.343 122.084 118.700 0.068 0.000 2.558 12 N HA 0.334 5.074 4.740 0.001 0.000 0.233 12 N C 0.339 175.833 175.510 -0.026 0.000 1.038 12 N CA -0.395 52.651 53.050 -0.007 0.000 0.934 12 N CB 1.600 40.086 38.487 -0.001 0.000 1.175 12 N HN 0.461 nan 8.380 nan 0.000 0.512 13 G N 0.341 109.112 108.800 -0.048 0.000 2.562 13 G HA2 0.127 4.088 3.960 0.001 0.000 0.275 13 G HA3 0.127 4.088 3.960 0.001 0.000 0.275 13 G C 0.801 175.676 174.900 -0.042 0.000 1.196 13 G CA -0.430 44.647 45.100 -0.039 0.000 0.908 13 G HN 0.364 nan 8.290 nan 0.000 0.524 14 S N -0.080 115.604 115.700 -0.028 0.000 2.382 14 S HA -0.084 4.387 4.470 0.001 0.000 0.228 14 S C 2.238 176.864 174.600 0.043 0.000 1.027 14 S CA 1.485 59.677 58.200 -0.014 0.000 0.991 14 S CB -0.094 63.081 63.200 -0.041 0.000 0.823 14 S HN 0.812 nan 8.310 nan 0.000 0.469 15 G N -0.313 108.498 108.800 0.019 0.000 2.720 15 G HA2 0.385 4.346 3.960 0.001 0.000 0.204 15 G HA3 0.385 4.346 3.960 0.001 0.000 0.204 15 G C -0.012 174.894 174.900 0.011 0.000 1.113 15 G CA 0.039 45.180 45.100 0.069 0.000 0.805 15 G HN 0.240 nan 8.290 nan 0.000 0.536 16 L N 0.976 122.165 121.223 -0.057 0.000 2.365 16 L HA 0.623 4.964 4.340 0.001 0.000 0.273 16 L C -0.566 176.184 176.870 -0.201 0.000 1.000 16 L CA -1.213 53.552 54.840 -0.125 0.000 0.819 16 L CB 2.210 44.205 42.059 -0.106 0.000 1.284 16 L HN -0.151 nan 8.230 nan 0.000 0.418 17 V N 3.526 123.199 119.914 -0.401 0.000 2.439 17 V HA 0.483 4.603 4.120 0.001 0.000 0.282 17 V C -0.305 175.512 176.094 -0.461 0.000 1.039 17 V CA -0.702 61.291 62.300 -0.512 0.000 0.913 17 V CB 1.665 32.923 31.823 -0.941 0.000 0.983 17 V HN 0.601 nan 8.190 nan 0.000 0.460 18 K N 3.888 124.168 120.400 -0.201 0.000 2.323 18 K HA 0.850 5.170 4.320 0.001 0.000 0.259 18 K C -0.563 176.005 176.600 -0.054 0.000 0.947 18 K CA -0.041 56.158 56.287 -0.147 0.000 0.819 18 K CB 1.974 34.478 32.500 0.008 0.000 1.109 18 K HN 0.840 nan 8.250 nan 0.000 0.429 19 A N 1.451 124.172 122.820 -0.166 0.000 2.515 19 A HA 0.928 5.248 4.320 0.001 0.000 0.298 19 A C -0.479 177.092 177.584 -0.023 0.000 1.059 19 A CA -0.115 51.964 52.037 0.070 0.000 0.698 19 A CB 1.762 20.786 19.000 0.039 0.000 1.289 19 A HN 0.710 nan 8.150 nan 0.000 0.404 20 G N -0.466 108.493 108.800 0.266 0.000 2.450 20 G HA2 0.561 4.522 3.960 0.001 0.000 0.273 20 G HA3 0.561 4.522 3.960 0.001 0.000 0.273 20 G C -1.761 173.187 174.900 0.081 0.000 1.221 20 G CA -0.519 44.684 45.100 0.171 0.000 0.900 20 G HN 0.651 nan 8.290 nan 0.000 0.483 21 F N 1.347 121.550 119.950 0.421 0.000 2.469 21 F HA 0.719 5.246 4.527 0.001 0.000 0.332 21 F C 0.893 176.826 175.800 0.221 0.000 1.103 21 F CA -0.354 57.799 58.000 0.255 0.000 0.979 21 F CB 2.141 41.241 39.000 0.166 0.000 1.137 21 F HN 0.635 nan 8.300 nan 0.000 0.463 22 A N 1.579 124.553 122.820 0.257 0.000 2.511 22 A HA 0.452 4.772 4.320 0.001 0.000 0.242 22 A C 1.196 178.866 177.584 0.143 0.000 1.069 22 A CA 0.783 52.877 52.037 0.095 0.000 0.763 22 A CB -0.637 18.419 19.000 0.092 0.000 1.001 22 A HN 1.604 nan 8.150 nan 0.000 0.498 23 G N 1.920 110.765 108.800 0.076 0.000 2.232 23 G HA2 -0.178 3.783 3.960 0.001 0.000 0.226 23 G HA3 -0.178 3.783 3.960 0.001 0.000 0.226 23 G C -0.080 174.897 174.900 0.128 0.000 0.996 23 G CA 0.311 45.463 45.100 0.086 0.000 0.626 23 G HN 0.806 nan 8.290 nan 0.000 0.509 24 D N 1.157 121.695 120.400 0.229 0.000 2.264 24 D HA 0.453 5.094 4.640 0.001 0.000 0.249 24 D C 1.187 177.675 176.300 0.313 0.000 1.070 24 D CA 0.103 54.265 54.000 0.270 0.000 0.912 24 D CB 1.015 42.032 40.800 0.362 0.000 1.193 24 D HN 0.292 nan 8.370 nan 0.000 0.427 25 D N -0.102 120.414 120.400 0.194 0.000 2.349 25 D HA 0.148 4.789 4.640 0.001 0.000 0.224 25 D C -0.133 176.266 176.300 0.165 0.000 1.029 25 D CA -0.183 53.917 54.000 0.167 0.000 0.879 25 D CB 0.157 41.006 40.800 0.081 0.000 0.906 25 D HN 0.280 nan 8.370 nan 0.000 0.528 26 A N -0.044 122.838 122.820 0.104 0.000 2.599 26 A HA 0.534 4.855 4.320 0.001 0.000 0.294 26 A C -3.038 174.007 177.584 -0.899 0.000 1.055 26 A CA -1.388 50.454 52.037 -0.325 0.000 0.683 26 A CB 0.838 19.630 19.000 -0.347 0.000 1.278 26 A HN -0.139 nan 8.150 nan 0.000 0.412 27 P HA 0.226 nan 4.420 nan 0.000 0.266 27 P C 0.402 177.306 177.300 -0.660 0.000 1.215 27 P CA 0.142 62.363 63.100 -1.464 0.000 0.763 27 P CB 0.408 31.367 31.700 -1.235 0.000 0.806 28 R N 2.466 122.742 120.500 -0.373 0.000 2.235 28 R HA 0.157 4.497 4.340 0.001 0.000 0.213 28 R C 0.398 176.632 176.300 -0.111 0.000 1.059 28 R CA 0.622 56.635 56.100 -0.145 0.000 0.997 28 R CB 0.233 30.558 30.300 0.041 0.000 0.884 28 R HN 0.478 nan 8.270 nan 0.000 0.462 29 A N 0.595 123.331 122.820 -0.141 0.000 2.385 29 A HA 0.503 4.824 4.320 0.001 0.000 0.290 29 A C -1.079 176.488 177.584 -0.028 0.000 1.094 29 A CA -0.528 51.514 52.037 0.009 0.000 0.729 29 A CB 1.738 20.820 19.000 0.136 0.000 1.194 29 A HN -0.035 nan 8.150 nan 0.000 0.442 30 V N 3.809 123.743 119.914 0.035 0.000 2.419 30 V HA 0.666 4.786 4.120 0.001 0.000 0.287 30 V C -0.965 175.176 176.094 0.078 0.000 1.017 30 V CA -0.335 61.943 62.300 -0.035 0.000 0.844 30 V CB 0.344 32.180 31.823 0.022 0.000 1.011 30 V HN 0.873 nan 8.190 nan 0.000 0.429 31 F N 3.680 123.630 119.950 -0.000 0.000 2.613 31 F HA 0.899 5.426 4.527 0.001 0.000 0.310 31 F C -3.089 172.698 175.800 -0.020 0.000 1.085 31 F CA -3.348 54.652 58.000 0.000 0.000 0.945 31 F CB 1.455 40.472 39.000 0.028 0.000 1.298 31 F HN 0.192 nan 8.300 nan 0.000 0.455 32 P HA 0.009 nan 4.420 nan 0.000 0.265 32 P C -0.152 177.165 177.300 0.027 0.000 1.193 32 P CA 0.128 63.253 63.100 0.042 0.000 0.765 32 P CB 0.951 32.667 31.700 0.027 0.000 0.823 33 S N 3.763 119.423 115.700 -0.066 0.000 4.183 33 S HA 0.321 4.791 4.470 0.001 0.000 0.195 33 S C 0.130 174.599 174.600 -0.219 0.000 1.421 33 S CA -0.544 57.596 58.200 -0.101 0.000 0.920 33 S CB -1.766 61.386 63.200 -0.080 0.000 1.525 33 S HN 0.366 nan 8.310 nan 0.000 0.447 34 I N -0.251 120.167 120.570 -0.254 0.000 2.802 34 I HA 0.761 4.931 4.170 0.001 0.000 0.298 34 I C -1.585 174.383 176.117 -0.249 0.000 1.176 34 I CA -1.027 60.011 61.300 -0.437 0.000 1.025 34 I CB 2.329 39.921 38.000 -0.679 0.000 1.243 34 I HN -0.066 nan 8.210 nan 0.000 0.424 35 V N 4.302 124.083 119.914 -0.223 0.000 2.588 35 V HA 0.812 4.933 4.120 0.001 0.000 0.304 35 V C 0.369 176.405 176.094 -0.097 0.000 1.042 35 V CA -0.335 61.888 62.300 -0.128 0.000 0.877 35 V CB 1.584 33.352 31.823 -0.093 0.000 0.996 35 V HN 0.986 nan 8.190 nan 0.000 0.425 36 G N 4.068 112.841 108.800 -0.044 0.000 2.470 36 G HA2 0.710 4.670 3.960 0.001 0.000 0.320 36 G HA3 0.710 4.670 3.960 0.001 0.000 0.320 36 G C -0.721 174.198 174.900 0.031 0.000 1.245 36 G CA -0.774 44.309 45.100 -0.029 0.000 0.935 36 G HN 0.625 nan 8.290 nan 0.000 0.476 37 R N 2.325 122.828 120.500 0.004 0.000 2.732 37 R HA 0.434 4.774 4.340 0.001 0.000 0.278 37 R C -2.764 173.536 176.300 -0.001 0.000 0.976 37 R CA -2.001 54.115 56.100 0.028 0.000 0.963 37 R CB 1.804 32.110 30.300 0.011 0.000 1.150 37 R HN 0.260 nan 8.270 nan 0.000 0.478 38 P HA -0.057 nan 4.420 nan 0.000 0.261 38 P C 0.141 177.405 177.300 -0.060 0.000 1.183 38 P CA 0.350 63.448 63.100 -0.003 0.000 0.761 38 P CB 0.469 32.192 31.700 0.037 0.000 0.785 39 R N 3.194 123.620 120.500 -0.123 0.000 2.115 39 R HA -0.089 4.251 4.340 0.001 0.000 0.230 39 R C 0.442 176.459 176.300 -0.470 0.000 1.111 39 R CA 1.301 57.225 56.100 -0.293 0.000 0.976 39 R CB 0.125 30.221 30.300 -0.340 0.000 0.870 39 R HN 0.627 nan 8.270 nan 0.000 0.445 40 H N -1.479 117.591 119.070 0.001 0.000 2.949 40 H HA 0.413 4.969 4.556 0.001 0.000 0.356 40 H C -0.542 174.791 175.328 0.008 0.000 1.212 40 H CA -0.730 55.320 56.048 0.004 0.000 1.136 40 H CB 1.814 31.577 29.762 0.001 0.000 1.869 40 H HN 0.009 nan 8.280 nan 0.000 0.556 51 D N 0.121 120.514 120.400 -0.011 0.000 2.354 51 D HA 0.053 4.693 4.640 0.001 0.000 0.209 51 D C 0.094 176.414 176.300 0.033 0.000 1.015 51 D CA 0.730 54.741 54.000 0.019 0.000 0.867 51 D CB 0.285 41.083 40.800 -0.004 0.000 0.933 51 D HN 0.584 nan 8.370 nan 0.000 0.520 52 S N -1.384 114.304 115.700 -0.019 0.000 2.537 52 S HA 0.570 5.040 4.470 0.001 0.000 0.271 52 S C -1.649 172.886 174.600 -0.107 0.000 1.148 52 S CA -0.935 57.277 58.200 0.019 0.000 0.868 52 S CB 0.850 64.039 63.200 -0.019 0.000 1.115 52 S HN 0.084 nan 8.310 nan 0.000 0.461 53 Y N 0.616 120.878 120.300 -0.064 0.000 2.524 53 Y HA 0.792 5.343 4.550 0.001 0.000 0.344 53 Y C -0.242 175.560 175.900 -0.164 0.000 1.012 53 Y CA -1.021 57.021 58.100 -0.097 0.000 1.068 53 Y CB 2.417 40.826 38.460 -0.085 0.000 1.249 53 Y HN 0.680 nan 8.280 nan 0.000 0.468 54 V N 1.082 120.905 119.914 -0.152 0.000 2.925 54 V HA 0.827 4.947 4.120 0.001 0.000 0.311 54 V C 0.295 176.151 176.094 -0.397 0.000 1.104 54 V CA -0.311 61.796 62.300 -0.321 0.000 0.954 54 V CB 1.238 32.756 31.823 -0.509 0.000 1.022 54 V HN 1.112 nan 8.190 nan 0.000 0.427 55 G N 2.804 111.471 108.800 -0.220 0.000 2.512 55 G HA2 -0.223 3.738 3.960 0.001 0.000 0.254 55 G HA3 -0.223 3.738 3.960 0.001 0.000 0.254 55 G C 0.397 175.268 174.900 -0.048 0.000 1.199 55 G CA 0.538 45.584 45.100 -0.091 0.000 0.941 55 G HN 0.648 nan 8.290 nan 0.000 0.569 56 D N 0.430 120.827 120.400 -0.004 0.000 2.182 56 D HA -0.064 4.576 4.640 0.001 0.000 0.201 56 D C 2.084 178.383 176.300 -0.001 0.000 0.986 56 D CA 1.529 55.536 54.000 0.011 0.000 0.847 56 D CB -0.103 40.718 40.800 0.035 0.000 0.942 56 D HN 0.616 nan 8.370 nan 0.000 0.467 57 E N 0.252 120.455 120.200 0.004 0.000 2.216 57 E HA -0.053 4.297 4.350 0.001 0.000 0.192 57 E C 1.925 178.535 176.600 0.017 0.000 0.988 57 E CA 0.526 56.954 56.400 0.047 0.000 0.834 57 E CB 0.160 29.936 29.700 0.128 0.000 0.772 57 E HN 0.134 nan 8.360 nan 0.000 0.479 58 A N 1.415 124.232 122.820 -0.006 0.000 1.930 58 A HA -0.220 4.101 4.320 0.001 0.000 0.217 58 A C 2.084 179.607 177.584 -0.101 0.000 1.175 58 A CA 1.534 53.537 52.037 -0.056 0.000 0.627 58 A CB -0.423 18.546 19.000 -0.053 0.000 0.815 58 A HN 0.449 nan 8.150 nan 0.000 0.443 59 Q N -1.223 118.534 119.800 -0.071 0.000 2.331 59 Q HA 0.044 4.385 4.340 0.001 0.000 0.203 59 Q C 1.860 177.829 176.000 -0.052 0.000 0.944 59 Q CA 1.210 56.977 55.803 -0.059 0.000 0.892 59 Q CB -0.340 28.376 28.738 -0.036 0.000 0.983 59 Q HN 0.408 nan 8.270 nan 0.000 0.482 60 S N 1.678 117.350 115.700 -0.047 0.000 2.383 60 S HA -0.077 4.394 4.470 0.001 0.000 0.229 60 S C 1.165 175.722 174.600 -0.071 0.000 1.030 60 S CA 1.380 59.556 58.200 -0.041 0.000 1.002 60 S CB 0.000 63.187 63.200 -0.022 0.000 0.829 60 S HN 0.386 nan 8.310 nan 0.000 0.467 61 K N 0.895 121.217 120.400 -0.129 0.000 2.593 61 K HA 0.179 4.499 4.320 0.001 0.000 0.208 61 K C 1.376 177.875 176.600 -0.168 0.000 1.051 61 K CA -0.242 55.938 56.287 -0.179 0.000 1.111 61 K CB 0.392 32.690 32.500 -0.337 0.000 0.849 61 K HN 0.334 nan 8.250 nan 0.000 0.479 62 R N 0.336 120.767 120.500 -0.114 0.000 2.154 62 R HA -0.146 4.194 4.340 0.001 0.000 0.248 62 R C 1.844 178.096 176.300 -0.079 0.000 1.155 62 R CA 1.864 57.910 56.100 -0.091 0.000 0.979 62 R CB -0.965 29.303 30.300 -0.054 0.000 0.869 62 R HN 0.184 nan 8.270 nan 0.000 0.452 63 G N 2.297 111.057 108.800 -0.068 0.000 2.462 63 G HA2 -0.196 3.765 3.960 0.001 0.000 0.220 63 G HA3 -0.196 3.765 3.960 0.001 0.000 0.220 63 G C 1.460 176.332 174.900 -0.047 0.000 1.121 63 G CA 0.975 46.048 45.100 -0.046 0.000 0.758 63 G HN 0.630 nan 8.290 nan 0.000 0.559 64 I N -2.634 117.888 120.570 -0.078 0.000 3.856 64 I HA 0.582 4.752 4.170 0.001 0.000 0.330 64 I C -0.552 175.505 176.117 -0.099 0.000 1.546 64 I CA -0.497 60.763 61.300 -0.067 0.000 1.132 64 I CB 0.258 38.221 38.000 -0.063 0.000 1.157 64 I HN -0.153 nan 8.210 nan 0.000 0.440 65 L N -0.031 121.124 121.223 -0.114 0.000 2.327 65 L HA 0.568 4.908 4.340 0.001 0.000 0.258 65 L C -0.339 176.472 176.870 -0.098 0.000 1.024 65 L CA -0.742 54.029 54.840 -0.114 0.000 0.825 65 L CB 2.302 44.278 42.059 -0.138 0.000 1.386 65 L HN -0.108 nan 8.230 nan 0.000 0.417 66 T N 2.728 117.230 114.554 -0.088 0.000 2.762 66 T HA 0.489 4.839 4.350 0.001 0.000 0.303 66 T C -0.064 174.602 174.700 -0.056 0.000 0.977 66 T CA -0.379 61.680 62.100 -0.069 0.000 0.961 66 T CB 0.052 68.879 68.868 -0.068 0.000 0.944 66 T HN 0.212 nan 8.240 nan 0.000 0.481 67 L N 3.819 125.012 121.223 -0.051 0.000 2.371 67 L HA 0.533 4.873 4.340 0.001 0.000 0.272 67 L C 0.622 177.467 176.870 -0.042 0.000 1.124 67 L CA -0.343 54.455 54.840 -0.070 0.000 0.816 67 L CB 0.641 42.654 42.059 -0.077 0.000 1.129 67 L HN 0.421 nan 8.230 nan 0.000 0.448 68 K N 2.122 122.464 120.400 -0.096 0.000 2.512 68 K HA 0.465 4.785 4.320 0.001 0.000 0.263 68 K C -1.791 174.730 176.600 -0.132 0.000 0.966 68 K CA -0.842 55.428 56.287 -0.029 0.000 0.851 68 K CB 2.562 35.050 32.500 -0.019 0.000 1.395 68 K HN 0.232 nan 8.250 nan 0.000 0.440 69 Y N 1.028 121.286 120.300 -0.069 0.000 2.388 69 Y HA 0.215 4.765 4.550 0.000 0.000 0.328 69 Y C -1.860 173.969 175.900 -0.118 0.000 0.963 69 Y CA -1.983 56.064 58.100 -0.087 0.000 1.240 69 Y CB 1.415 39.828 38.460 -0.078 0.000 1.118 69 Y HN 0.460 nan 8.280 nan 0.000 0.484 70 P HA -0.119 nan 4.420 nan 0.000 0.218 70 P C -0.043 177.157 177.300 -0.168 0.000 1.149 70 P CA 1.441 64.447 63.100 -0.156 0.000 0.817 70 P CB 0.548 32.099 31.700 -0.248 0.000 0.785 71 I N 0.710 121.224 120.570 -0.094 0.000 2.307 71 I HA 0.206 4.377 4.170 0.001 0.000 0.289 71 I C 0.603 176.692 176.117 -0.046 0.000 1.021 71 I CA -0.206 61.037 61.300 -0.096 0.000 1.224 71 I CB 0.677 38.626 38.000 -0.085 0.000 1.376 71 I HN 0.031 nan 8.210 nan 0.000 0.470 75 I N 2.507 123.066 120.570 -0.018 0.000 2.392 75 I HA 0.450 4.620 4.170 0.001 0.000 0.295 75 I C 0.306 176.352 176.117 -0.118 0.000 0.985 75 I CA -1.063 60.215 61.300 -0.035 0.000 1.221 75 I CB 1.546 39.543 38.000 -0.005 0.000 1.366 75 I HN -0.053 nan 8.210 nan 0.000 0.467 76 I N 5.191 125.640 120.570 -0.203 0.000 2.517 76 I HA 0.046 4.216 4.170 0.001 0.000 0.285 76 I C 1.330 177.147 176.117 -0.500 0.000 1.106 76 I CA 0.212 61.232 61.300 -0.468 0.000 1.402 76 I CB 0.680 38.169 38.000 -0.851 0.000 1.399 76 I HN 0.738 nan 8.210 nan 0.000 0.535 77 T N 0.450 114.749 114.554 -0.424 0.000 2.955 77 T HA 0.093 4.444 4.350 0.001 0.000 0.251 77 T C 0.630 175.164 174.700 -0.278 0.000 1.002 77 T CA -0.185 61.756 62.100 -0.265 0.000 0.970 77 T CB 0.185 68.985 68.868 -0.114 0.000 1.091 77 T HN 0.470 nan 8.240 nan 0.000 0.495 78 N N -0.058 118.427 118.700 -0.359 0.000 2.569 78 N HA 0.257 4.997 4.740 0.001 0.000 0.254 78 N C -0.582 174.777 175.510 -0.252 0.000 1.004 78 N CA -0.655 52.273 53.050 -0.203 0.000 0.904 78 N CB 0.882 39.305 38.487 -0.107 0.000 1.165 78 N HN 0.324 nan 8.380 nan 0.000 0.513 79 W N 1.763 123.078 121.300 0.025 0.000 2.418 79 W HA 0.006 4.666 4.660 0.000 0.000 0.292 79 W C 1.600 178.155 176.519 0.060 0.000 1.213 79 W CA 0.132 57.508 57.345 0.051 0.000 1.283 79 W CB 0.284 29.801 29.460 0.094 0.000 1.119 79 W HN 0.458 nan 8.180 nan 0.000 0.542 80 D N 0.271 120.811 120.400 0.234 0.000 2.097 80 D HA -0.179 4.462 4.640 0.001 0.000 0.195 80 D C 1.592 177.949 176.300 0.095 0.000 0.989 80 D CA 1.597 55.693 54.000 0.159 0.000 0.827 80 D CB -0.544 40.322 40.800 0.110 0.000 0.966 80 D HN 0.052 nan 8.370 nan 0.000 0.456 81 D N -0.237 120.176 120.400 0.022 0.000 2.144 81 D HA -0.122 4.519 4.640 0.001 0.000 0.200 81 D C 1.972 178.218 176.300 -0.089 0.000 0.978 81 D CA 0.486 54.466 54.000 -0.034 0.000 0.833 81 D CB -0.218 40.540 40.800 -0.070 0.000 0.961 81 D HN 0.096 nan 8.370 nan 0.000 0.470 82 M N 1.135 120.630 119.600 -0.175 0.000 2.149 82 M HA -0.133 4.347 4.480 0.001 0.000 0.261 82 M C 1.691 177.814 176.300 -0.295 0.000 1.064 82 M CA 1.421 56.469 55.300 -0.420 0.000 1.102 82 M CB -0.226 32.008 32.600 -0.611 0.000 1.369 82 M HN -0.053 nan 8.290 nan 0.000 0.408 83 E N -0.548 119.735 120.200 0.139 0.000 2.085 83 E HA -0.215 4.135 4.350 0.001 0.000 0.194 83 E C 1.878 178.779 176.600 0.501 0.000 0.994 83 E CA 1.072 57.783 56.400 0.519 0.000 0.801 83 E CB -0.063 29.920 29.700 0.472 0.000 0.743 83 E HN 0.395 nan 8.360 nan 0.000 0.453 84 K N 0.521 121.071 120.400 0.250 0.000 2.147 84 K HA -0.095 4.225 4.320 0.001 0.000 0.205 84 K C 2.076 178.806 176.600 0.215 0.000 1.049 84 K CA 0.686 57.100 56.287 0.211 0.000 0.936 84 K CB -0.265 32.279 32.500 0.072 0.000 0.722 84 K HN 0.251 nan 8.250 nan 0.000 0.446 85 I N -0.631 119.988 120.570 0.082 0.000 2.163 85 I HA -0.255 3.915 4.170 0.001 0.000 0.240 85 I C 2.199 178.399 176.117 0.138 0.000 1.081 85 I CA 0.948 62.275 61.300 0.046 0.000 1.353 85 I CB -0.231 37.664 38.000 -0.175 0.000 1.054 85 I HN 0.194 nan 8.210 nan 0.000 0.407 86 W N 0.738 122.089 121.300 0.084 0.000 2.338 86 W HA -0.188 4.472 4.660 0.001 0.000 0.304 86 W C 2.740 179.161 176.519 -0.163 0.000 1.212 86 W CA 1.037 58.248 57.345 -0.223 0.000 1.264 86 W CB -1.397 27.898 29.460 -0.275 0.000 1.142 86 W HN 0.313 nan 8.180 nan 0.000 0.512 87 H N -1.449 117.922 119.070 0.501 0.000 2.290 87 H HA -0.195 4.362 4.556 0.001 0.000 0.298 87 H C 2.017 177.540 175.328 0.325 0.000 1.087 87 H CA 2.367 58.736 56.048 0.537 0.000 1.291 87 H CB -0.710 29.324 29.762 0.453 0.000 1.369 87 H HN 0.224 nan 8.280 nan 0.000 0.492 88 H N 0.264 119.488 119.070 0.258 0.000 2.422 88 H HA -0.097 4.459 4.556 0.001 0.000 0.298 88 H C 1.958 177.241 175.328 -0.074 0.000 1.098 88 H CA 2.022 58.101 56.048 0.051 0.000 1.315 88 H CB 0.147 29.850 29.762 -0.098 0.000 1.382 88 H HN 0.182 nan 8.280 nan 0.000 0.523 89 T N 0.063 114.603 114.554 -0.023 0.000 2.643 89 T HA -0.122 4.228 4.350 0.001 0.000 0.264 89 T C 1.519 176.094 174.700 -0.209 0.000 1.045 89 T CA 1.611 63.639 62.100 -0.119 0.000 1.155 89 T CB -0.453 68.311 68.868 -0.173 0.000 0.863 89 T HN 0.185 nan 8.240 nan 0.000 0.420 90 F N 0.293 120.253 119.950 0.016 0.000 2.039 90 F HA 0.039 4.566 4.527 0.000 0.000 0.294 90 F C 2.346 178.155 175.800 0.015 0.000 1.130 90 F CA 0.558 58.541 58.000 -0.027 0.000 1.189 90 F CB -1.342 37.637 39.000 -0.035 0.000 0.983 90 F HN 0.111 nan 8.300 nan 0.000 0.471 91 Y N 0.701 121.114 120.300 0.188 0.000 2.200 91 Y HA -0.140 4.410 4.550 0.001 0.000 0.290 91 Y C 1.853 177.738 175.900 -0.025 0.000 1.137 91 Y CA 1.963 60.127 58.100 0.107 0.000 1.163 91 Y CB -0.814 37.747 38.460 0.168 0.000 0.988 91 Y HN 0.122 nan 8.280 nan 0.000 0.518 92 N N -1.276 117.238 118.700 -0.309 0.000 2.368 92 N HA -0.041 4.699 4.740 0.001 0.000 0.178 92 N C 1.361 176.557 175.510 -0.524 0.000 1.076 92 N CA 0.341 53.055 53.050 -0.559 0.000 0.889 92 N CB 0.353 38.430 38.487 -0.683 0.000 1.040 92 N HN 0.249 nan 8.380 nan 0.000 0.463 93 E N 0.557 120.496 120.200 -0.434 0.000 2.192 93 E HA 0.149 4.499 4.350 0.001 0.000 0.196 93 E C 1.753 178.280 176.600 -0.121 0.000 0.922 93 E CA 0.349 56.582 56.400 -0.278 0.000 0.924 93 E CB 0.116 29.682 29.700 -0.224 0.000 0.911 93 E HN 0.219 nan 8.360 nan 0.000 0.478 94 L N 0.565 121.738 121.223 -0.084 0.000 2.341 94 L HA 0.142 4.483 4.340 0.001 0.000 0.214 94 L C 0.187 177.081 176.870 0.040 0.000 1.115 94 L CA 0.179 55.011 54.840 -0.014 0.000 0.820 94 L CB -0.179 41.814 42.059 -0.110 0.000 0.944 94 L HN 0.057 nan 8.230 nan 0.000 0.452 95 R N 0.446 120.926 120.500 -0.032 0.000 3.205 95 R HA -0.130 4.211 4.340 0.001 0.000 0.249 95 R C -0.613 175.725 176.300 0.064 0.000 0.937 95 R CA 0.576 56.656 56.100 -0.034 0.000 0.641 95 R CB -2.238 28.029 30.300 -0.054 0.000 1.114 95 R HN 0.354 nan 8.270 nan 0.000 0.451 96 V N -3.736 116.232 119.914 0.090 0.000 3.141 96 V HA 0.959 5.080 4.120 0.001 0.000 0.312 96 V C -0.193 175.974 176.094 0.122 0.000 1.157 96 V CA -0.623 61.730 62.300 0.088 0.000 1.041 96 V CB 2.482 34.236 31.823 -0.115 0.000 1.071 96 V HN 0.294 nan 8.190 nan 0.000 0.441 97 A N 1.967 124.874 122.820 0.146 0.000 2.271 97 A HA 0.827 5.147 4.320 0.001 0.000 0.317 97 A C -1.748 175.858 177.584 0.037 0.000 1.245 97 A CA -1.749 50.348 52.037 0.101 0.000 0.857 97 A CB 1.036 20.104 19.000 0.113 0.000 1.175 97 A HN 0.758 nan 8.150 nan 0.000 0.512 98 P HA -0.207 nan 4.420 nan 0.000 0.218 98 P C 1.167 178.354 177.300 -0.188 0.000 1.148 98 P CA 1.450 64.258 63.100 -0.486 0.000 0.822 98 P CB 0.244 31.479 31.700 -0.775 0.000 0.784 99 E N 0.788 120.936 120.200 -0.088 0.000 2.516 99 E HA -0.157 4.193 4.350 0.001 0.000 0.199 99 E C 0.786 177.345 176.600 -0.068 0.000 1.069 99 E CA 0.802 57.167 56.400 -0.058 0.000 0.876 99 E CB -0.567 29.116 29.700 -0.028 0.000 0.843 99 E HN 0.516 nan 8.360 nan 0.000 0.530 100 E N 0.350 120.506 120.200 -0.073 0.000 2.734 100 E HA 0.135 4.486 4.350 0.001 0.000 0.211 100 E C -0.444 175.877 176.600 -0.464 0.000 0.991 100 E CA -0.470 55.800 56.400 -0.218 0.000 1.065 100 E CB 0.035 29.603 29.700 -0.220 0.000 1.047 100 E HN 0.190 nan 8.360 nan 0.000 0.470 101 H N 1.267 120.261 119.070 -0.127 0.000 2.924 101 H HA 0.294 4.850 4.556 0.001 0.000 0.333 101 H C -2.750 172.440 175.328 -0.230 0.000 0.979 101 H CA -2.031 53.936 56.048 -0.134 0.000 1.326 101 H CB 1.942 31.655 29.762 -0.081 0.000 1.600 101 H HN 0.035 nan 8.280 nan 0.000 0.520 102 P HA -0.014 nan 4.420 nan 0.000 0.264 102 P C -0.288 176.818 177.300 -0.323 0.000 1.183 102 P CA 0.406 63.172 63.100 -0.556 0.000 0.763 102 P CB 0.618 31.625 31.700 -1.155 0.000 0.807 103 T N 3.985 118.410 114.554 -0.216 0.000 2.847 103 T HA 0.413 4.763 4.350 0.001 0.000 0.291 103 T C -0.321 174.518 174.700 0.232 0.000 0.998 103 T CA -0.512 61.596 62.100 0.014 0.000 0.967 103 T CB 0.420 69.251 68.868 -0.063 0.000 0.954 103 T HN 0.245 nan 8.240 nan 0.000 0.441 104 L N 5.195 126.628 121.223 0.351 0.000 2.292 104 L HA 0.694 5.034 4.340 0.001 0.000 0.284 104 L C -1.294 175.666 176.870 0.150 0.000 1.065 104 L CA -0.572 54.479 54.840 0.353 0.000 0.806 104 L CB 0.434 42.664 42.059 0.285 0.000 1.175 104 L HN 0.578 nan 8.230 nan 0.000 0.431 105 L N 3.432 124.725 121.223 0.118 0.000 2.323 105 L HA 0.664 5.004 4.340 0.001 0.000 0.265 105 L C -0.128 176.781 176.870 0.065 0.000 1.012 105 L CA -0.616 54.266 54.840 0.070 0.000 0.820 105 L CB 2.411 44.483 42.059 0.021 0.000 1.334 105 L HN 0.639 nan 8.230 nan 0.000 0.427 106 T N -1.826 112.774 114.554 0.077 0.000 2.912 106 T HA 0.736 5.086 4.350 0.001 0.000 0.288 106 T C -0.814 173.919 174.700 0.055 0.000 1.030 106 T CA -0.699 61.429 62.100 0.047 0.000 1.020 106 T CB 2.079 70.972 68.868 0.041 0.000 1.056 106 T HN 0.758 nan 8.240 nan 0.000 0.480 107 E N 1.092 121.302 120.200 0.018 0.000 2.416 107 E HA 0.683 5.034 4.350 0.001 0.000 0.273 107 E C -0.841 175.743 176.600 -0.025 0.000 0.935 107 E CA -1.630 54.780 56.400 0.017 0.000 0.784 107 E CB 1.741 31.455 29.700 0.024 0.000 1.301 107 E HN 0.865 nan 8.360 nan 0.000 0.454 108 A N 1.824 124.625 122.820 -0.031 0.000 2.351 108 A HA 0.478 4.798 4.320 0.001 0.000 0.257 108 A C -2.251 175.231 177.584 -0.170 0.000 1.087 108 A CA -1.336 50.642 52.037 -0.098 0.000 0.798 108 A CB -0.367 18.607 19.000 -0.042 0.000 1.033 108 A HN 0.492 nan 8.150 nan 0.000 0.488 109 P HA 0.107 nan 4.420 nan 0.000 0.266 109 P C 0.243 177.413 177.300 -0.217 0.000 1.186 109 P CA 0.475 63.386 63.100 -0.316 0.000 0.767 109 P CB 0.138 31.513 31.700 -0.542 0.000 0.820 110 L N -2.143 119.015 121.223 -0.108 0.000 4.089 110 L HA -0.264 4.077 4.340 0.001 0.000 0.408 110 L C 0.405 177.269 176.870 -0.011 0.000 1.184 110 L CA 0.022 54.837 54.840 -0.042 0.000 0.947 110 L CB -1.893 40.149 42.059 -0.027 0.000 2.066 110 L HN 0.511 nan 8.230 nan 0.000 0.851 111 N N 1.838 120.531 118.700 -0.011 0.000 2.452 111 N HA 0.306 5.046 4.740 0.001 0.000 0.266 111 N C -2.045 173.494 175.510 0.050 0.000 1.175 111 N CA -0.976 52.091 53.050 0.029 0.000 0.945 111 N CB 0.806 39.314 38.487 0.034 0.000 1.063 111 N HN -0.016 nan 8.380 nan 0.000 0.472 112 P HA 0.010 nan 4.420 nan 0.000 0.266 112 P C 0.201 177.549 177.300 0.080 0.000 1.193 112 P CA 0.072 63.216 63.100 0.073 0.000 0.770 112 P CB 0.593 32.347 31.700 0.090 0.000 0.836 113 K N 1.898 122.336 120.400 0.063 0.000 2.147 113 K HA -0.125 4.195 4.320 0.001 0.000 0.205 113 K C 1.915 178.553 176.600 0.064 0.000 1.049 113 K CA 1.618 57.940 56.287 0.059 0.000 0.936 113 K CB -0.429 32.099 32.500 0.047 0.000 0.722 113 K HN 0.459 nan 8.250 nan 0.000 0.446 114 A N 1.614 124.473 122.820 0.065 0.000 1.972 114 A HA -0.183 4.137 4.320 0.001 0.000 0.219 114 A C 1.709 179.328 177.584 0.059 0.000 1.169 114 A CA 1.639 53.706 52.037 0.050 0.000 0.635 114 A CB -0.432 18.597 19.000 0.049 0.000 0.810 114 A HN 0.222 nan 8.150 nan 0.000 0.446 115 N N -0.479 118.311 118.700 0.150 0.000 2.080 115 N HA -0.112 4.628 4.740 0.001 0.000 0.189 115 N C 1.849 177.508 175.510 0.248 0.000 1.036 115 N CA 1.427 54.660 53.050 0.304 0.000 0.846 115 N CB -0.380 38.331 38.487 0.373 0.000 1.015 115 N HN 0.539 nan 8.380 nan 0.000 0.423 116 R N 1.079 121.680 120.500 0.167 0.000 2.091 116 R HA -0.118 4.222 4.340 0.001 0.000 0.238 116 R C 1.546 177.895 176.300 0.082 0.000 1.136 116 R CA 1.586 57.760 56.100 0.122 0.000 0.959 116 R CB -0.060 30.281 30.300 0.069 0.000 0.856 116 R HN 0.371 nan 8.270 nan 0.000 0.437 117 E N -0.242 119.993 120.200 0.058 0.000 2.107 117 E HA -0.197 4.153 4.350 0.001 0.000 0.191 117 E C 1.896 178.496 176.600 -0.001 0.000 0.982 117 E CA 1.048 57.479 56.400 0.051 0.000 0.809 117 E CB 0.067 29.798 29.700 0.052 0.000 0.756 117 E HN 0.107 nan 8.360 nan 0.000 0.459 118 K N 1.196 121.529 120.400 -0.111 0.000 2.097 118 K HA -0.139 4.181 4.320 0.001 0.000 0.206 118 K C 2.058 178.508 176.600 -0.250 0.000 1.049 118 K CA 1.212 57.294 56.287 -0.341 0.000 0.933 118 K CB -0.089 31.897 32.500 -0.856 0.000 0.717 118 K HN 0.121 nan 8.250 nan 0.000 0.442 119 M N -0.669 118.912 119.600 -0.031 0.000 2.123 119 M HA -0.132 4.348 4.480 0.001 0.000 0.263 119 M C 1.606 177.894 176.300 -0.020 0.000 1.069 119 M CA 1.953 57.368 55.300 0.192 0.000 1.133 119 M CB -0.390 32.444 32.600 0.389 0.000 1.356 119 M HN 0.033 nan 8.290 nan 0.000 0.415 120 T N 0.819 115.344 114.554 -0.048 0.000 2.759 120 T HA -0.212 4.138 4.350 0.001 0.000 0.269 120 T C 1.821 176.398 174.700 -0.206 0.000 1.042 120 T CA 1.750 63.755 62.100 -0.159 0.000 1.140 120 T CB -0.313 68.551 68.868 -0.005 0.000 0.864 120 T HN 0.533 nan 8.240 nan 0.000 0.455 121 Q N 0.136 119.914 119.800 -0.036 0.000 2.119 121 Q HA -0.022 4.319 4.340 0.001 0.000 0.201 121 Q C 2.303 178.317 176.000 0.023 0.000 0.972 121 Q CA 1.071 56.909 55.803 0.059 0.000 0.847 121 Q CB -0.183 28.633 28.738 0.130 0.000 0.903 121 Q HN 0.542 nan 8.270 nan 0.000 0.433 122 I N 0.153 120.733 120.570 0.017 0.000 2.233 122 I HA -0.259 3.911 4.170 0.001 0.000 0.243 122 I C 2.395 178.565 176.117 0.088 0.000 1.093 122 I CA 0.544 61.904 61.300 0.101 0.000 1.380 122 I CB -0.216 37.947 38.000 0.271 0.000 1.067 122 I HN 0.224 nan 8.210 nan 0.000 0.413 123 M N -0.088 119.464 119.600 -0.080 0.000 2.144 123 M HA -0.233 4.248 4.480 0.001 0.000 0.260 123 M C 2.252 178.420 176.300 -0.221 0.000 1.067 123 M CA 2.091 57.262 55.300 -0.214 0.000 1.095 123 M CB -0.982 31.281 32.600 -0.562 0.000 1.365 123 M HN 0.141 nan 8.290 nan 0.000 0.406 124 F N 0.225 120.057 119.950 -0.196 0.000 2.104 124 F HA -0.040 4.487 4.527 0.000 0.000 0.288 124 F C 2.485 178.232 175.800 -0.089 0.000 1.107 124 F CA 1.020 58.876 58.000 -0.240 0.000 1.208 124 F CB -0.988 37.621 39.000 -0.651 0.000 1.033 124 F HN 0.176 nan 8.300 nan 0.000 0.478 125 E N -0.626 119.668 120.200 0.155 0.000 2.077 125 E HA -0.142 4.208 4.350 0.001 0.000 0.193 125 E C 2.009 178.632 176.600 0.038 0.000 0.989 125 E CA 1.945 58.419 56.400 0.124 0.000 0.800 125 E CB -0.188 29.596 29.700 0.140 0.000 0.746 125 E HN 0.276 nan 8.360 nan 0.000 0.452 126 T N -0.447 114.096 114.554 -0.018 0.000 2.939 126 T HA 0.022 4.372 4.350 0.001 0.000 0.254 126 T C 1.163 175.665 174.700 -0.331 0.000 1.041 126 T CA 0.642 62.630 62.100 -0.186 0.000 1.142 126 T CB -0.049 68.654 68.868 -0.274 0.000 0.874 126 T HN 0.051 nan 8.240 nan 0.000 0.452 127 F N 1.196 121.121 119.950 -0.043 0.000 2.656 127 F HA 0.359 4.886 4.527 0.001 0.000 0.291 127 F C 1.039 176.756 175.800 -0.137 0.000 1.122 127 F CA -0.368 57.550 58.000 -0.138 0.000 1.427 127 F CB -0.206 38.650 39.000 -0.240 0.000 1.125 127 F HN 0.015 nan 8.300 nan 0.000 0.583 128 N N 0.977 119.725 118.700 0.081 0.000 2.735 128 N HA -0.147 4.594 4.740 0.001 0.000 0.248 128 N C -0.259 175.278 175.510 0.044 0.000 1.083 128 N CA 0.752 53.848 53.050 0.077 0.000 0.703 128 N CB -1.712 36.798 38.487 0.038 0.000 1.005 128 N HN 0.219 nan 8.380 nan 0.000 0.550 129 V N -2.035 117.879 119.914 -0.000 0.000 2.843 129 V HA 0.198 4.318 4.120 0.001 0.000 0.305 129 V C -0.944 175.184 176.094 0.057 0.000 1.065 129 V CA -0.924 61.330 62.300 -0.076 0.000 1.116 129 V CB 0.856 32.542 31.823 -0.227 0.000 0.968 129 V HN -0.110 nan 8.190 nan 0.000 0.487 130 P HA 0.178 nan 4.420 nan 0.000 0.217 130 P C 0.284 177.627 177.300 0.073 0.000 1.151 130 P CA 1.836 64.937 63.100 0.001 0.000 0.828 130 P CB 0.194 31.835 31.700 -0.099 0.000 0.788 131 A N -1.020 121.789 122.820 -0.018 0.000 2.594 131 A HA 0.810 5.130 4.320 0.001 0.000 0.295 131 A C -0.947 176.595 177.584 -0.071 0.000 1.071 131 A CA -0.596 51.448 52.037 0.012 0.000 0.685 131 A CB 1.137 19.969 19.000 -0.279 0.000 1.285 131 A HN 0.063 nan 8.150 nan 0.000 0.405 132 M N 0.364 120.083 119.600 0.199 0.000 2.721 132 M HA 0.863 5.343 4.480 0.001 0.000 0.271 132 M C -2.148 174.509 176.300 0.595 0.000 1.259 132 M CA -0.611 54.832 55.300 0.239 0.000 0.835 132 M CB 2.100 34.559 32.600 -0.235 0.000 1.689 132 M HN 1.019 nan 8.290 nan 0.000 0.470 133 Y N 0.547 121.071 120.300 0.373 0.000 2.513 133 Y HA 0.705 5.256 4.550 0.001 0.000 0.340 133 Y C -2.146 173.824 175.900 0.117 0.000 1.055 133 Y CA -0.723 57.510 58.100 0.222 0.000 1.020 133 Y CB 2.201 40.752 38.460 0.151 0.000 1.301 133 Y HN 0.645 nan 8.280 nan 0.000 0.453 134 V N 5.163 124.775 119.914 -0.503 0.000 2.417 134 V HA 0.884 5.004 4.120 0.001 0.000 0.291 134 V C -0.394 175.428 176.094 -0.453 0.000 1.024 134 V CA -0.294 61.819 62.300 -0.311 0.000 0.861 134 V CB 1.067 32.779 31.823 -0.185 0.000 0.985 134 V HN 0.890 nan 8.190 nan 0.000 0.436 135 A N 5.436 128.187 122.820 -0.114 0.000 2.374 135 A HA 0.842 5.162 4.320 0.001 0.000 0.317 135 A C -0.603 176.953 177.584 -0.046 0.000 1.094 135 A CA -0.730 51.297 52.037 -0.016 0.000 0.765 135 A CB 1.004 20.103 19.000 0.164 0.000 1.268 135 A HN 0.769 nan 8.150 nan 0.000 0.438 136 I N 2.455 122.980 120.570 -0.074 0.000 2.452 136 I HA -0.008 4.162 4.170 0.001 0.000 0.287 136 I C 1.403 177.456 176.117 -0.106 0.000 1.079 136 I CA 0.051 61.295 61.300 -0.094 0.000 1.387 136 I CB 1.023 38.955 38.000 -0.113 0.000 1.404 136 I HN 0.917 nan 8.210 nan 0.000 0.522 137 Q N 4.782 124.535 119.800 -0.079 0.000 2.082 137 Q HA -0.298 4.042 4.340 0.001 0.000 0.211 137 Q C 2.325 178.270 176.000 -0.090 0.000 1.002 137 Q CA 2.564 58.330 55.803 -0.063 0.000 0.868 137 Q CB -0.203 28.518 28.738 -0.029 0.000 0.931 137 Q HN 0.918 nan 8.270 nan 0.000 0.414 138 A N 0.155 122.913 122.820 -0.104 0.000 1.892 138 A HA -0.212 4.108 4.320 0.001 0.000 0.218 138 A C 2.361 179.840 177.584 -0.175 0.000 1.188 138 A CA 1.845 53.817 52.037 -0.108 0.000 0.631 138 A CB -0.984 17.956 19.000 -0.100 0.000 0.822 138 A HN 0.250 nan 8.150 nan 0.000 0.447 139 V N 0.413 120.177 119.914 -0.249 0.000 2.282 139 V HA -0.311 3.809 4.120 0.001 0.000 0.249 139 V C 2.574 178.290 176.094 -0.630 0.000 1.057 139 V CA 2.080 64.100 62.300 -0.467 0.000 1.032 139 V CB -0.924 30.596 31.823 -0.505 0.000 0.645 139 V HN 0.589 nan 8.190 nan 0.000 0.447 140 L N -0.150 120.846 121.223 -0.379 0.000 2.042 140 L HA -0.196 4.145 4.340 0.001 0.000 0.210 140 L C 2.665 179.466 176.870 -0.116 0.000 1.076 140 L CA 1.858 56.569 54.840 -0.215 0.000 0.749 140 L CB -0.921 41.077 42.059 -0.101 0.000 0.893 140 L HN 0.332 nan 8.230 nan 0.000 0.432 141 S N 0.337 115.978 115.700 -0.099 0.000 2.359 141 S HA -0.227 4.244 4.470 0.001 0.000 0.223 141 S C 1.883 176.465 174.600 -0.031 0.000 1.039 141 S CA 1.676 59.854 58.200 -0.035 0.000 1.042 141 S CB -0.462 62.720 63.200 -0.031 0.000 0.915 141 S HN 0.272 nan 8.310 nan 0.000 0.439 142 L N 0.990 122.156 121.223 -0.095 0.000 1.989 142 L HA -0.137 4.204 4.340 0.001 0.000 0.211 142 L C 1.974 178.883 176.870 0.064 0.000 1.071 142 L CA 1.786 56.595 54.840 -0.052 0.000 0.749 142 L CB -0.880 41.103 42.059 -0.127 0.000 0.890 142 L HN 0.424 nan 8.230 nan 0.000 0.431 143 Y N -0.525 119.747 120.300 -0.047 0.000 2.114 143 Y HA -0.373 4.177 4.550 0.001 0.000 0.282 143 Y C 2.556 178.427 175.900 -0.049 0.000 1.165 143 Y CA 0.587 58.649 58.100 -0.063 0.000 1.148 143 Y CB -0.615 37.785 38.460 -0.100 0.000 0.972 143 Y HN 0.422 nan 8.280 nan 0.000 0.504 144 A N 0.130 123.028 122.820 0.130 0.000 1.986 144 A HA -0.270 4.051 4.320 0.001 0.000 0.220 144 A C 2.281 179.903 177.584 0.063 0.000 1.171 144 A CA 2.155 54.237 52.037 0.076 0.000 0.640 144 A CB -0.949 18.092 19.000 0.070 0.000 0.811 144 A HN 0.536 nan 8.150 nan 0.000 0.451 145 S N -2.121 113.618 115.700 0.064 0.000 2.527 145 S HA 0.363 4.833 4.470 0.001 0.000 0.222 145 S C 1.345 175.972 174.600 0.046 0.000 0.985 145 S CA 1.107 59.337 58.200 0.051 0.000 0.921 145 S CB -0.268 62.960 63.200 0.046 0.000 0.772 145 S HN 2.011 nan 8.310 nan 0.000 0.529 146 G N 0.880 109.711 108.800 0.053 0.000 2.130 146 G HA2 -0.194 3.767 3.960 0.001 0.000 0.216 146 G HA3 -0.194 3.767 3.960 0.001 0.000 0.216 146 G C -0.087 174.833 174.900 0.034 0.000 0.999 146 G CA -0.218 44.900 45.100 0.029 0.000 0.686 146 G HN 0.642 nan 8.290 nan 0.000 0.515 147 R N -0.944 119.599 120.500 0.070 0.000 2.854 147 R HA 0.760 5.100 4.340 0.001 0.000 0.271 147 R C 1.065 177.441 176.300 0.126 0.000 0.996 147 R CA -0.198 55.942 56.100 0.066 0.000 0.961 147 R CB 1.363 31.695 30.300 0.053 0.000 1.182 147 R HN 0.319 nan 8.270 nan 0.000 0.479 148 T N -3.476 111.127 114.554 0.082 0.000 3.043 148 T HA 0.201 4.552 4.350 0.001 0.000 0.272 148 T C 0.016 174.738 174.700 0.037 0.000 0.990 148 T CA -0.138 62.037 62.100 0.124 0.000 0.897 148 T CB 0.481 69.387 68.868 0.062 0.000 1.111 148 T HN 0.415 nan 8.240 nan 0.000 0.529 149 T N 0.842 115.404 114.554 0.013 0.000 2.971 149 T HA 0.735 5.086 4.350 0.001 0.000 0.304 149 T C -0.222 174.499 174.700 0.036 0.000 1.038 149 T CA -0.206 61.898 62.100 0.007 0.000 1.007 149 T CB 1.598 70.442 68.868 -0.039 0.000 1.055 149 T HN 0.761 nan 8.240 nan 0.000 0.451 150 G N 1.523 110.349 108.800 0.043 0.000 2.341 150 G HA2 0.427 4.387 3.960 0.001 0.000 0.293 150 G HA3 0.427 4.387 3.960 0.001 0.000 0.293 150 G C -2.176 172.731 174.900 0.011 0.000 1.298 150 G CA -0.823 44.296 45.100 0.032 0.000 0.868 150 G HN 0.879 nan 8.290 nan 0.000 0.540 151 I N 0.618 121.189 120.570 0.002 0.000 2.418 151 I HA 0.671 4.841 4.170 0.001 0.000 0.287 151 I C -0.562 175.551 176.117 -0.006 0.000 1.008 151 I CA -1.002 60.289 61.300 -0.015 0.000 1.104 151 I CB 1.534 39.514 38.000 -0.033 0.000 1.264 151 I HN 0.387 nan 8.210 nan 0.000 0.438 152 V N 7.690 127.594 119.914 -0.018 0.000 2.567 152 V HA 0.314 4.435 4.120 0.001 0.000 0.289 152 V C -0.271 175.822 176.094 -0.003 0.000 1.049 152 V CA -0.631 61.661 62.300 -0.013 0.000 0.969 152 V CB 1.632 33.435 31.823 -0.032 0.000 0.995 152 V HN 0.579 nan 8.190 nan 0.000 0.471 153 L N 4.134 125.360 121.223 0.004 0.000 2.313 153 L HA 0.574 4.914 4.340 0.001 0.000 0.273 153 L C -0.650 176.221 176.870 0.002 0.000 1.028 153 L CA 0.063 54.904 54.840 0.002 0.000 0.871 153 L CB 0.978 43.037 42.059 -0.000 0.000 1.242 153 L HN 0.606 nan 8.230 nan 0.000 0.434 154 D N 2.395 122.803 120.400 0.013 0.000 2.280 154 D HA 0.427 5.067 4.640 0.001 0.000 0.236 154 D C -1.104 175.196 176.300 0.001 0.000 1.082 154 D CA 0.248 54.257 54.000 0.015 0.000 0.834 154 D CB 1.559 42.382 40.800 0.038 0.000 1.100 154 D HN 0.401 nan 8.370 nan 0.000 0.486 155 S N 2.524 118.212 115.700 -0.020 0.000 2.789 155 S HA 0.686 5.156 4.470 0.001 0.000 0.286 155 S C 0.146 174.720 174.600 -0.044 0.000 1.153 155 S CA -0.486 57.689 58.200 -0.041 0.000 1.084 155 S CB 0.600 63.773 63.200 -0.045 0.000 1.036 155 S HN 0.479 nan 8.310 nan 0.000 0.484 156 G N 2.674 111.445 108.800 -0.047 0.000 3.134 156 G HA2 0.246 4.207 3.960 0.001 0.000 0.158 156 G HA3 0.246 4.207 3.960 0.001 0.000 0.158 156 G C 0.294 175.158 174.900 -0.060 0.000 1.334 156 G CA 0.120 45.186 45.100 -0.056 0.000 1.001 156 G HN 0.635 nan 8.290 nan 0.000 0.600 157 D N -1.570 118.794 120.400 -0.060 0.000 2.240 157 D HA 0.131 4.772 4.640 0.001 0.000 0.206 157 D C 2.171 178.425 176.300 -0.076 0.000 0.963 157 D CA 1.481 55.444 54.000 -0.062 0.000 0.863 157 D CB -0.026 40.742 40.800 -0.053 0.000 0.973 157 D HN 0.360 nan 8.370 nan 0.000 0.501 158 G N -0.469 108.284 108.800 -0.078 0.000 2.724 158 G HA2 0.294 4.255 3.960 0.001 0.000 0.205 158 G HA3 0.294 4.255 3.960 0.001 0.000 0.205 158 G C 0.095 174.934 174.900 -0.103 0.000 1.112 158 G CA 0.272 45.315 45.100 -0.096 0.000 0.793 158 G HN 0.218 nan 8.290 nan 0.000 0.526 159 V N -0.286 119.564 119.914 -0.107 0.000 3.188 159 V HA 0.740 4.860 4.120 0.001 0.000 0.305 159 V C -1.414 174.553 176.094 -0.212 0.000 1.232 159 V CA -0.469 61.724 62.300 -0.177 0.000 1.043 159 V CB 2.427 34.130 31.823 -0.200 0.000 1.068 159 V HN 0.057 nan 8.190 nan 0.000 0.439 160 T N 2.827 117.184 114.554 -0.328 0.000 2.841 160 T HA 0.678 5.028 4.350 0.001 0.000 0.285 160 T C -1.373 173.071 174.700 -0.427 0.000 0.991 160 T CA -0.246 61.690 62.100 -0.273 0.000 0.966 160 T CB 0.951 69.707 68.868 -0.186 0.000 0.962 160 T HN 0.796 nan 8.240 nan 0.000 0.438 161 H N 1.314 120.350 119.070 -0.058 0.000 2.622 161 H HA 0.496 5.053 4.556 0.001 0.000 0.363 161 H C -0.397 174.897 175.328 -0.058 0.000 1.151 161 H CA -0.794 55.220 56.048 -0.057 0.000 1.184 161 H CB 1.234 30.964 29.762 -0.053 0.000 1.643 161 H HN 0.473 nan 8.280 nan 0.000 0.531 162 N N 0.977 119.720 118.700 0.072 0.000 2.425 162 N HA 0.411 5.151 4.740 0.001 0.000 0.268 162 N C -1.421 174.090 175.510 0.002 0.000 0.991 162 N CA -0.489 52.571 53.050 0.016 0.000 0.931 162 N CB 1.699 40.176 38.487 -0.016 0.000 1.130 162 N HN 0.153 nan 8.380 nan 0.000 0.493 163 V N 3.690 123.593 119.914 -0.020 0.000 2.349 163 V HA 0.417 4.538 4.120 0.001 0.000 0.284 163 V C -2.345 173.715 176.094 -0.057 0.000 1.014 163 V CA -1.830 60.439 62.300 -0.052 0.000 0.826 163 V CB 1.374 33.156 31.823 -0.068 0.000 1.009 163 V HN 0.565 nan 8.190 nan 0.000 0.431 164 P HA 0.519 nan 4.420 nan 0.000 0.281 164 P C -0.774 176.515 177.300 -0.019 0.000 1.252 164 P CA -0.022 63.043 63.100 -0.057 0.000 0.778 164 P CB 0.772 32.411 31.700 -0.102 0.000 0.895 165 I N 3.453 124.037 120.570 0.023 0.000 2.533 165 I HA 0.404 4.574 4.170 0.001 0.000 0.290 165 I C -1.047 175.163 176.117 0.156 0.000 1.056 165 I CA -0.900 60.439 61.300 0.064 0.000 1.057 165 I CB 2.155 40.152 38.000 -0.005 0.000 1.240 165 I HN 0.273 nan 8.210 nan 0.000 0.423 166 Y N 5.109 125.446 120.300 0.063 0.000 2.327 166 Y HA 0.322 4.872 4.550 0.001 0.000 0.325 166 Y C -0.110 175.864 175.900 0.123 0.000 0.999 166 Y CA -0.604 57.541 58.100 0.076 0.000 1.195 166 Y CB 1.042 39.540 38.460 0.063 0.000 1.132 166 Y HN 0.713 nan 8.280 nan 0.000 0.455 167 E N 4.359 124.399 120.200 -0.267 0.000 2.271 167 E HA -0.257 4.093 4.350 0.001 0.000 0.223 167 E C 1.047 177.710 176.600 0.105 0.000 1.223 167 E CA 0.890 57.199 56.400 -0.152 0.000 0.704 167 E CB -1.316 28.231 29.700 -0.255 0.000 1.194 167 E HN 1.277 nan 8.360 nan 0.000 0.375 168 G N -0.902 107.972 108.800 0.124 0.000 2.245 168 G HA2 -0.379 3.581 3.960 0.001 0.000 0.264 168 G HA3 -0.379 3.581 3.960 0.001 0.000 0.264 168 G C -0.148 174.752 174.900 -0.000 0.000 0.985 168 G CA 0.711 45.902 45.100 0.152 0.000 0.625 168 G HN 0.377 nan 8.290 nan 0.000 0.536 169 Y N 1.395 121.747 120.300 0.087 0.000 2.341 169 Y HA 0.663 5.213 4.550 0.000 0.000 0.337 169 Y C 0.789 176.726 175.900 0.061 0.000 1.014 169 Y CA -0.123 58.024 58.100 0.080 0.000 1.111 169 Y CB 1.747 40.267 38.460 0.100 0.000 1.194 169 Y HN 0.447 nan 8.280 nan 0.000 0.462 170 A N 3.909 126.810 122.820 0.135 0.000 2.313 170 A HA 0.607 4.927 4.320 0.001 0.000 0.261 170 A C -0.856 176.790 177.584 0.103 0.000 1.090 170 A CA -0.465 51.612 52.037 0.067 0.000 0.807 170 A CB 0.219 19.214 19.000 -0.009 0.000 1.055 170 A HN 0.803 nan 8.150 nan 0.000 0.492 171 L N 1.510 122.745 121.223 0.020 0.000 2.337 171 L HA 0.305 4.645 4.340 0.001 0.000 0.269 171 L C -1.937 174.852 176.870 -0.134 0.000 1.018 171 L CA -1.548 53.281 54.840 -0.018 0.000 0.876 171 L CB 1.767 43.763 42.059 -0.106 0.000 1.236 171 L HN 0.500 nan 8.230 nan 0.000 0.436 172 P HA -0.170 nan 4.420 nan 0.000 0.218 172 P C 1.370 178.655 177.300 -0.026 0.000 1.149 172 P CA 1.180 64.276 63.100 -0.006 0.000 0.817 172 P CB -0.081 31.652 31.700 0.056 0.000 0.785 173 H N -0.658 118.406 119.070 -0.011 0.000 2.491 173 H HA 0.182 4.738 4.556 0.000 0.000 0.290 173 H C 1.154 176.466 175.328 -0.026 0.000 1.050 173 H CA 1.425 57.462 56.048 -0.019 0.000 1.309 173 H CB -0.625 29.122 29.762 -0.024 0.000 1.392 173 H HN 0.078 nan 8.280 nan 0.000 0.554 174 A N 1.335 123.811 122.820 -0.574 0.000 2.430 174 A HA 0.310 4.630 4.320 0.001 0.000 0.243 174 A C 0.908 178.366 177.584 -0.210 0.000 1.254 174 A CA -0.517 51.275 52.037 -0.409 0.000 0.914 174 A CB 0.017 18.683 19.000 -0.557 0.000 0.998 174 A HN 0.212 nan 8.150 nan 0.000 0.515 175 I N 1.789 122.269 120.570 -0.150 0.000 2.496 175 I HA 0.140 4.310 4.170 0.001 0.000 0.285 175 I C -0.250 175.849 176.117 -0.029 0.000 1.080 175 I CA 0.248 61.502 61.300 -0.076 0.000 1.404 175 I CB 0.932 38.895 38.000 -0.061 0.000 1.403 175 I HN 0.200 nan 8.210 nan 0.000 0.539 176 M N 7.176 126.772 119.600 -0.006 0.000 2.167 176 M HA 0.384 4.864 4.480 0.001 0.000 0.333 176 M C -0.305 176.019 176.300 0.040 0.000 1.030 176 M CA -0.356 54.943 55.300 -0.001 0.000 0.963 176 M CB 1.448 34.027 32.600 -0.035 0.000 1.589 176 M HN 0.535 nan 8.290 nan 0.000 0.431 177 R N 3.036 123.553 120.500 0.027 0.000 2.532 177 R HA 0.778 5.119 4.340 0.001 0.000 0.295 177 R C -1.792 174.428 176.300 -0.134 0.000 0.968 177 R CA -0.575 55.493 56.100 -0.053 0.000 0.916 177 R CB 1.393 31.718 30.300 0.042 0.000 1.124 177 R HN 0.774 nan 8.270 nan 0.000 0.463 178 L N 3.886 124.969 121.223 -0.232 0.000 2.457 178 L HA 0.284 4.624 4.340 0.001 0.000 0.266 178 L C -1.026 175.728 176.870 -0.193 0.000 0.979 178 L CA -0.500 54.234 54.840 -0.178 0.000 0.857 178 L CB 1.874 43.834 42.059 -0.165 0.000 1.213 178 L HN 0.709 nan 8.230 nan 0.000 0.418 179 D N 5.006 125.319 120.400 -0.145 0.000 2.977 179 D HA 0.182 4.822 4.640 0.001 0.000 0.241 179 D C -0.495 175.734 176.300 -0.118 0.000 1.206 179 D CA 0.754 54.677 54.000 -0.129 0.000 0.902 179 D CB -0.045 40.697 40.800 -0.095 0.000 1.131 179 D HN 0.245 nan 8.370 nan 0.000 0.447 180 L N 0.352 121.496 121.223 -0.132 0.000 2.446 180 L HA 0.624 4.965 4.340 0.001 0.000 0.268 180 L C -0.852 175.949 176.870 -0.115 0.000 0.975 180 L CA -0.330 54.440 54.840 -0.117 0.000 0.848 180 L CB 1.187 43.170 42.059 -0.126 0.000 1.225 180 L HN 0.055 nan 8.230 nan 0.000 0.410 181 A N 2.752 125.517 122.820 -0.092 0.000 3.005 181 A HA 0.683 5.004 4.320 0.001 0.000 0.282 181 A C 0.882 178.443 177.584 -0.038 0.000 1.218 181 A CA 0.175 52.169 52.037 -0.070 0.000 0.703 181 A CB 0.299 19.251 19.000 -0.080 0.000 1.387 181 A HN 0.696 nan 8.150 nan 0.000 0.592 182 G N -0.594 108.193 108.800 -0.022 0.000 2.432 182 G HA2 -0.163 3.797 3.960 0.001 0.000 0.219 182 G HA3 -0.163 3.797 3.960 0.001 0.000 0.219 182 G C 1.382 176.274 174.900 -0.014 0.000 1.135 182 G CA 1.197 46.299 45.100 0.005 0.000 0.767 182 G HN 0.653 nan 8.290 nan 0.000 0.550 183 R N 0.078 120.550 120.500 -0.046 0.000 2.152 183 R HA -0.070 4.270 4.340 0.001 0.000 0.232 183 R C 1.270 177.542 176.300 -0.047 0.000 1.117 183 R CA 1.478 57.541 56.100 -0.062 0.000 0.981 183 R CB 0.005 30.240 30.300 -0.107 0.000 0.870 183 R HN 0.200 nan 8.270 nan 0.000 0.451 184 D N -0.371 120.007 120.400 -0.037 0.000 2.366 184 D HA 0.009 4.649 4.640 0.001 0.000 0.205 184 D C 1.685 178.002 176.300 0.028 0.000 1.022 184 D CA 0.316 54.306 54.000 -0.017 0.000 0.868 184 D CB 0.322 41.099 40.800 -0.039 0.000 0.953 184 D HN 0.229 nan 8.370 nan 0.000 0.514 185 L N 0.244 121.487 121.223 0.032 0.000 2.127 185 L HA -0.053 4.288 4.340 0.001 0.000 0.203 185 L C 2.215 179.142 176.870 0.094 0.000 1.080 185 L CA 0.919 55.808 54.840 0.081 0.000 0.768 185 L CB -0.374 41.736 42.059 0.085 0.000 0.924 185 L HN -0.033 nan 8.230 nan 0.000 0.444 186 T N -0.689 113.888 114.554 0.039 0.000 2.788 186 T HA -0.176 4.175 4.350 0.001 0.000 0.268 186 T C 1.398 176.084 174.700 -0.022 0.000 1.044 186 T CA 1.370 63.464 62.100 -0.010 0.000 1.139 186 T CB -0.165 68.680 68.868 -0.038 0.000 0.867 186 T HN 0.276 nan 8.240 nan 0.000 0.454 187 D N 0.027 120.431 120.400 0.006 0.000 2.084 187 D HA -0.080 4.560 4.640 0.001 0.000 0.194 187 D C 1.739 178.066 176.300 0.045 0.000 0.990 187 D CA 1.002 55.008 54.000 0.010 0.000 0.826 187 D CB -0.514 40.297 40.800 0.018 0.000 0.971 187 D HN 0.371 nan 8.370 nan 0.000 0.453 188 Y N 1.210 121.488 120.300 -0.037 0.000 2.114 188 Y HA -0.226 4.324 4.550 0.001 0.000 0.282 188 Y C 2.188 178.064 175.900 -0.039 0.000 1.165 188 Y CA 1.165 59.247 58.100 -0.029 0.000 1.148 188 Y CB -0.548 37.904 38.460 -0.014 0.000 0.972 188 Y HN -0.043 nan 8.280 nan 0.000 0.504 189 L N 0.139 121.316 121.223 -0.077 0.000 2.056 189 L HA -0.196 4.144 4.340 0.001 0.000 0.207 189 L C 2.575 179.334 176.870 -0.184 0.000 1.078 189 L CA 2.216 56.953 54.840 -0.172 0.000 0.749 189 L CB -0.864 41.139 42.059 -0.094 0.000 0.901 189 L HN 0.454 nan 8.230 nan 0.000 0.433 190 M N -0.707 118.798 119.600 -0.158 0.000 2.108 190 M HA -0.291 4.189 4.480 0.001 0.000 0.261 190 M C 2.328 178.591 176.300 -0.060 0.000 1.066 190 M CA 2.228 57.439 55.300 -0.149 0.000 1.107 190 M CB -0.221 32.298 32.600 -0.136 0.000 1.356 190 M HN 0.333 nan 8.290 nan 0.000 0.406 191 K N 0.991 121.332 120.400 -0.098 0.000 1.973 191 K HA -0.213 4.107 4.320 0.001 0.000 0.212 191 K C 1.952 178.480 176.600 -0.119 0.000 1.047 191 K CA 2.376 58.608 56.287 -0.091 0.000 0.937 191 K CB -0.710 31.724 32.500 -0.110 0.000 0.721 191 K HN 0.654 nan 8.250 nan 0.000 0.440 192 I N -0.572 119.843 120.570 -0.259 0.000 2.069 192 I HA -0.327 3.843 4.170 0.001 0.000 0.237 192 I C 2.248 178.326 176.117 -0.065 0.000 1.053 192 I CA 1.636 62.800 61.300 -0.228 0.000 1.311 192 I CB -0.937 36.841 38.000 -0.370 0.000 1.030 192 I HN 0.213 nan 8.210 nan 0.000 0.398 193 L N 0.751 121.968 121.223 -0.009 0.000 2.085 193 L HA -0.271 4.069 4.340 0.001 0.000 0.218 193 L C 2.793 179.832 176.870 0.281 0.000 1.080 193 L CA 2.633 57.585 54.840 0.187 0.000 0.776 193 L CB -1.082 41.108 42.059 0.218 0.000 0.891 193 L HN 0.508 nan 8.230 nan 0.000 0.437 194 T N -1.732 112.938 114.554 0.194 0.000 2.857 194 T HA -0.158 4.192 4.350 0.001 0.000 0.266 194 T C 1.544 176.267 174.700 0.037 0.000 1.048 194 T CA 0.735 62.925 62.100 0.150 0.000 1.139 194 T CB -0.138 68.808 68.868 0.129 0.000 0.874 194 T HN 0.338 nan 8.240 nan 0.000 0.455 195 E N 0.703 120.905 120.200 0.004 0.000 2.510 195 E HA -0.023 4.327 4.350 0.001 0.000 0.202 195 E C 1.339 177.907 176.600 -0.053 0.000 1.072 195 E CA 0.379 56.759 56.400 -0.034 0.000 0.883 195 E CB 0.117 29.785 29.700 -0.053 0.000 0.818 195 E HN 0.263 nan 8.360 nan 0.000 0.548 196 R N -0.922 119.544 120.500 -0.058 0.000 2.629 196 R HA 0.127 4.467 4.340 0.001 0.000 0.386 196 R C 0.488 176.613 176.300 -0.291 0.000 1.071 196 R CA 0.415 56.438 56.100 -0.129 0.000 1.104 196 R CB 1.274 31.523 30.300 -0.087 0.000 1.370 196 R HN 0.182 nan 8.270 nan 0.000 0.574 197 G N 0.811 109.474 108.800 -0.227 0.000 2.132 197 G HA2 -0.292 3.668 3.960 0.001 0.000 0.234 197 G HA3 -0.292 3.668 3.960 0.001 0.000 0.234 197 G C -0.512 174.183 174.900 -0.342 0.000 0.989 197 G CA -0.195 44.733 45.100 -0.286 0.000 0.676 197 G HN 0.262 nan 8.290 nan 0.000 0.522 198 Y N 2.080 122.325 120.300 -0.093 0.000 2.504 198 Y HA 0.514 5.065 4.550 0.001 0.000 0.339 198 Y C 1.128 176.849 175.900 -0.298 0.000 0.974 198 Y CA -1.039 56.931 58.100 -0.216 0.000 1.232 198 Y CB 1.007 39.370 38.460 -0.162 0.000 1.108 198 Y HN 0.386 nan 8.280 nan 0.000 0.509 199 S N 3.795 119.397 115.700 -0.164 0.000 2.507 199 S HA 0.299 4.769 4.470 0.001 0.000 0.299 199 S C -0.685 173.754 174.600 -0.267 0.000 1.214 199 S CA -0.148 57.964 58.200 -0.146 0.000 1.137 199 S CB -0.690 62.448 63.200 -0.104 0.000 1.009 199 S HN 0.449 nan 8.310 nan 0.000 0.512 200 F N 2.613 122.590 119.950 0.044 0.000 2.529 200 F HA 0.627 5.154 4.527 0.001 0.000 0.320 200 F C 0.204 176.012 175.800 0.013 0.000 1.118 200 F CA -0.910 57.105 58.000 0.025 0.000 0.915 200 F CB 2.088 41.096 39.000 0.015 0.000 1.161 200 F HN 0.386 nan 8.300 nan 0.000 0.445 201 V N 1.048 121.114 119.914 0.253 0.000 3.204 201 V HA 0.321 4.441 4.120 0.001 0.000 0.308 201 V C 0.465 176.621 176.094 0.103 0.000 1.324 201 V CA -0.371 62.007 62.300 0.130 0.000 1.042 201 V CB 1.881 33.758 31.823 0.088 0.000 1.167 201 V HN 0.749 nan 8.190 nan 0.000 0.478 202 T N -1.535 113.057 114.554 0.063 0.000 3.015 202 T HA -0.034 4.316 4.350 0.001 0.000 0.250 202 T C 1.705 176.429 174.700 0.040 0.000 1.057 202 T CA 1.546 63.671 62.100 0.041 0.000 1.066 202 T CB -0.047 68.838 68.868 0.029 0.000 0.959 202 T HN 0.694 nan 8.240 nan 0.000 0.488 203 T N 1.215 115.796 114.554 0.045 0.000 2.602 203 T HA -0.202 4.148 4.350 0.001 0.000 0.264 203 T C 1.521 176.244 174.700 0.038 0.000 1.085 203 T CA 2.275 64.397 62.100 0.037 0.000 1.164 203 T CB -0.370 68.525 68.868 0.044 0.000 0.860 203 T HN 0.554 nan 8.240 nan 0.000 0.442 204 A N -1.292 121.562 122.820 0.057 0.000 2.480 204 A HA 0.398 4.718 4.320 0.001 0.000 0.191 204 A C 1.650 179.279 177.584 0.074 0.000 1.503 204 A CA 0.509 52.579 52.037 0.056 0.000 1.110 204 A CB 0.138 19.172 19.000 0.057 0.000 1.401 204 A HN 0.346 nan 8.150 nan 0.000 0.533 205 E N 1.175 121.446 120.200 0.119 0.000 2.023 205 E HA -0.162 4.188 4.350 0.001 0.000 0.196 205 E C 1.835 178.403 176.600 -0.054 0.000 1.003 205 E CA 1.654 58.152 56.400 0.164 0.000 0.809 205 E CB -0.318 29.639 29.700 0.427 0.000 0.755 205 E HN 0.537 nan 8.360 nan 0.000 0.449 206 R N 0.578 121.050 120.500 -0.047 0.000 2.178 206 R HA -0.238 4.102 4.340 0.001 0.000 0.257 206 R C 2.086 178.328 176.300 -0.097 0.000 1.163 206 R CA 1.490 57.534 56.100 -0.094 0.000 0.981 206 R CB -0.281 29.998 30.300 -0.035 0.000 0.878 206 R HN 0.148 nan 8.270 nan 0.000 0.454 207 E N 0.323 120.494 120.200 -0.048 0.000 2.047 207 E HA -0.116 4.234 4.350 0.001 0.000 0.191 207 E C 2.025 178.593 176.600 -0.054 0.000 0.987 207 E CA 0.958 57.339 56.400 -0.032 0.000 0.799 207 E CB -0.157 29.546 29.700 0.006 0.000 0.752 207 E HN 0.286 nan 8.360 nan 0.000 0.449 208 I N 0.600 121.138 120.570 -0.053 0.000 2.179 208 I HA -0.197 3.973 4.170 0.001 0.000 0.242 208 I C 2.386 178.358 176.117 -0.240 0.000 1.088 208 I CA 0.852 62.119 61.300 -0.056 0.000 1.357 208 I CB -1.578 36.462 38.000 0.067 0.000 1.051 208 I HN -0.068 nan 8.210 nan 0.000 0.409 209 V N 1.191 120.865 119.914 -0.400 0.000 2.453 209 V HA -0.250 3.870 4.120 0.001 0.000 0.252 209 V C 2.771 178.702 176.094 -0.272 0.000 1.068 209 V CA 1.754 63.776 62.300 -0.464 0.000 1.070 209 V CB -0.982 30.523 31.823 -0.530 0.000 0.664 209 V HN 0.419 nan 8.190 nan 0.000 0.461 210 R N -0.161 120.228 120.500 -0.185 0.000 2.090 210 R HA -0.150 4.190 4.340 0.001 0.000 0.228 210 R C 2.096 178.332 176.300 -0.108 0.000 1.110 210 R CA 1.746 57.776 56.100 -0.116 0.000 0.973 210 R CB -0.305 29.949 30.300 -0.077 0.000 0.869 210 R HN 0.569 nan 8.270 nan 0.000 0.440 211 D N 0.322 120.656 120.400 -0.110 0.000 2.117 211 D HA -0.083 4.557 4.640 0.001 0.000 0.198 211 D C 1.939 178.141 176.300 -0.162 0.000 0.982 211 D CA 0.986 54.942 54.000 -0.073 0.000 0.828 211 D CB 0.007 40.824 40.800 0.029 0.000 0.967 211 D HN 0.182 nan 8.370 nan 0.000 0.464 212 I N 0.343 120.686 120.570 -0.377 0.000 2.208 212 I HA -0.273 3.898 4.170 0.001 0.000 0.245 212 I C 2.474 178.474 176.117 -0.194 0.000 1.097 212 I CA 1.057 62.064 61.300 -0.488 0.000 1.363 212 I CB -0.326 37.309 38.000 -0.608 0.000 1.051 212 I HN 0.055 nan 8.210 nan 0.000 0.413 213 K N 1.399 121.720 120.400 -0.131 0.000 2.009 213 K HA -0.231 4.089 4.320 0.001 0.000 0.210 213 K C 1.838 178.464 176.600 0.043 0.000 1.049 213 K CA 2.012 58.297 56.287 -0.002 0.000 0.929 213 K CB -0.045 32.463 32.500 0.013 0.000 0.714 213 K HN 0.405 nan 8.250 nan 0.000 0.440 214 E N -0.403 119.779 120.200 -0.030 0.000 2.358 214 E HA -0.099 4.252 4.350 0.001 0.000 0.195 214 E C 1.657 178.254 176.600 -0.005 0.000 1.010 214 E CA 0.567 56.931 56.400 -0.060 0.000 0.856 214 E CB 0.254 29.902 29.700 -0.087 0.000 0.795 214 E HN 0.111 nan 8.360 nan 0.000 0.504 215 K N 0.114 120.526 120.400 0.020 0.000 2.242 215 K HA 0.178 4.498 4.320 0.001 0.000 0.200 215 K C 1.587 178.246 176.600 0.097 0.000 1.050 215 K CA 0.565 56.890 56.287 0.063 0.000 0.981 215 K CB 0.486 33.046 32.500 0.100 0.000 0.795 215 K HN 0.044 nan 8.250 nan 0.000 0.477 216 L N -0.801 120.478 121.223 0.093 0.000 2.685 216 L HA 0.231 4.572 4.340 0.001 0.000 0.235 216 L C 0.142 177.149 176.870 0.228 0.000 1.070 216 L CA -0.274 54.650 54.840 0.140 0.000 0.888 216 L CB 0.511 42.618 42.059 0.079 0.000 1.203 216 L HN -0.055 nan 8.230 nan 0.000 0.499 217 C N 1.031 120.465 119.300 0.223 0.000 2.657 217 C HA 0.357 4.818 4.460 0.001 0.000 0.404 217 C C 0.103 175.353 174.990 0.434 0.000 1.291 217 C CA -0.354 58.821 59.018 0.260 0.000 2.218 217 C CB -0.591 27.312 27.740 0.271 0.000 2.687 217 C HN 0.402 nan 8.230 nan 0.000 0.634 218 Y N -1.001 119.432 120.300 0.221 0.000 2.725 218 Y HA 0.702 5.253 4.550 0.001 0.000 0.333 218 Y C -1.271 174.713 175.900 0.139 0.000 1.242 218 Y CA -1.382 56.847 58.100 0.214 0.000 1.059 218 Y CB 0.332 38.899 38.460 0.178 0.000 1.306 218 Y HN 0.319 nan 8.280 nan 0.000 0.454 219 V N 2.028 122.101 119.914 0.265 0.000 2.472 219 V HA 0.811 4.932 4.120 0.001 0.000 0.290 219 V C 0.378 176.567 176.094 0.159 0.000 1.037 219 V CA -0.428 61.923 62.300 0.085 0.000 0.908 219 V CB 0.891 32.770 31.823 0.093 0.000 0.985 219 V HN 1.064 nan 8.190 nan 0.000 0.454 220 A N 3.665 126.479 122.820 -0.009 0.000 2.354 220 A HA 0.525 4.846 4.320 0.001 0.000 0.269 220 A C 0.956 178.481 177.584 -0.099 0.000 1.109 220 A CA -0.378 51.628 52.037 -0.053 0.000 0.800 220 A CB 0.468 19.326 19.000 -0.237 0.000 1.045 220 A HN 0.986 nan 8.150 nan 0.000 0.489 221 L N 0.344 121.520 121.223 -0.078 0.000 2.156 221 L HA 0.029 4.370 4.340 0.001 0.000 0.208 221 L C -0.034 176.763 176.870 -0.122 0.000 1.095 221 L CA 1.282 56.062 54.840 -0.101 0.000 0.770 221 L CB 0.241 42.261 42.059 -0.065 0.000 0.914 221 L HN 0.771 nan 8.230 nan 0.000 0.439 222 D N -1.591 118.743 120.400 -0.110 0.000 2.358 222 D HA 0.028 4.669 4.640 0.001 0.000 0.253 222 D C 0.414 176.673 176.300 -0.069 0.000 1.288 222 D CA -0.473 53.477 54.000 -0.082 0.000 0.950 222 D CB 0.902 41.656 40.800 -0.077 0.000 1.197 222 D HN 0.019 nan 8.370 nan 0.000 0.550 223 F N 3.375 123.233 119.950 -0.153 0.000 2.069 223 F HA -0.138 4.390 4.527 0.001 0.000 0.298 223 F C 1.860 177.649 175.800 -0.018 0.000 1.113 223 F CA 1.813 59.763 58.000 -0.083 0.000 1.214 223 F CB 0.222 39.216 39.000 -0.011 0.000 0.978 223 F HN 0.422 nan 8.300 nan 0.000 0.474 224 E N -0.109 120.063 120.200 -0.047 0.000 2.058 224 E HA -0.293 4.058 4.350 0.001 0.000 0.194 224 E C 2.219 178.721 176.600 -0.163 0.000 0.997 224 E CA 1.348 57.673 56.400 -0.125 0.000 0.801 224 E CB -0.478 29.226 29.700 0.008 0.000 0.746 224 E HN 0.504 nan 8.360 nan 0.000 0.450 225 N N 0.429 119.054 118.700 -0.125 0.000 2.188 225 N HA -0.202 4.539 4.740 0.001 0.000 0.184 225 N C 1.821 177.225 175.510 -0.176 0.000 1.018 225 N CA 0.975 53.952 53.050 -0.121 0.000 0.858 225 N CB 0.121 38.552 38.487 -0.093 0.000 0.989 225 N HN 0.037 nan 8.380 nan 0.000 0.426 226 E N 0.355 120.384 120.200 -0.285 0.000 2.150 226 E HA -0.045 4.305 4.350 0.001 0.000 0.193 226 E C 2.055 178.459 176.600 -0.326 0.000 0.985 226 E CA 0.811 56.941 56.400 -0.450 0.000 0.814 226 E CB -0.007 29.152 29.700 -0.901 0.000 0.752 226 E HN 0.280 nan 8.360 nan 0.000 0.466 227 M N -0.189 119.261 119.600 -0.250 0.000 2.086 227 M HA -0.096 4.385 4.480 0.001 0.000 0.261 227 M C 2.297 178.583 176.300 -0.024 0.000 1.067 227 M CA 1.610 56.880 55.300 -0.050 0.000 1.116 227 M CB -1.071 31.379 32.600 -0.249 0.000 1.348 227 M HN 0.253 nan 8.290 nan 0.000 0.407 228 A N -0.308 122.469 122.820 -0.072 0.000 1.972 228 A HA -0.138 4.183 4.320 0.001 0.000 0.219 228 A C 2.259 179.831 177.584 -0.019 0.000 1.169 228 A CA 2.174 54.186 52.037 -0.041 0.000 0.635 228 A CB -1.021 17.949 19.000 -0.049 0.000 0.810 228 A HN 0.504 nan 8.150 nan 0.000 0.446 229 T N 0.285 114.823 114.554 -0.027 0.000 2.737 229 T HA 0.014 4.364 4.350 0.001 0.000 0.265 229 T C 2.063 176.786 174.700 0.038 0.000 1.038 229 T CA 1.463 63.559 62.100 -0.006 0.000 1.144 229 T CB -0.392 68.459 68.868 -0.028 0.000 0.866 229 T HN 0.573 nan 8.240 nan 0.000 0.434 230 A N 0.573 123.448 122.820 0.092 0.000 2.239 230 A HA 0.485 4.805 4.320 0.001 0.000 0.209 230 A C 2.200 179.828 177.584 0.074 0.000 1.171 230 A CA 1.125 53.241 52.037 0.132 0.000 0.768 230 A CB -0.544 18.614 19.000 0.263 0.000 0.790 230 A HN 0.484 nan 8.150 nan 0.000 0.478 231 A N -0.512 122.334 122.820 0.044 0.000 2.140 231 A HA 0.211 4.531 4.320 0.001 0.000 0.209 231 A C 2.125 179.717 177.584 0.014 0.000 1.181 231 A CA 1.290 53.340 52.037 0.021 0.000 0.824 231 A CB -0.226 18.778 19.000 0.006 0.000 0.879 231 A HN 0.859 nan 8.150 nan 0.000 0.480 232 S N -0.894 114.814 115.700 0.014 0.000 2.512 232 S HA 0.279 4.749 4.470 0.001 0.000 0.216 232 S C 0.718 175.325 174.600 0.013 0.000 1.006 232 S CA 0.772 58.977 58.200 0.009 0.000 0.915 232 S CB -0.269 62.932 63.200 0.002 0.000 0.824 232 S HN 0.986 nan 8.310 nan 0.000 0.497 233 S N 0.718 116.431 115.700 0.021 0.000 2.776 233 S HA 0.618 5.088 4.470 0.001 0.000 0.292 233 S C -0.002 174.619 174.600 0.036 0.000 1.187 233 S CA 0.040 58.255 58.200 0.024 0.000 0.834 233 S CB 0.998 64.209 63.200 0.019 0.000 1.199 233 S HN 0.515 nan 8.310 nan 0.000 0.514 234 S N -0.462 115.260 115.700 0.036 0.000 2.602 234 S HA 0.257 4.727 4.470 0.001 0.000 0.240 234 S C 1.438 176.069 174.600 0.052 0.000 0.992 234 S CA 0.350 58.578 58.200 0.047 0.000 0.971 234 S CB 0.036 63.259 63.200 0.039 0.000 0.855 234 S HN 0.741 nan 8.310 nan 0.000 0.481 235 S N 2.039 117.766 115.700 0.045 0.000 2.408 235 S HA -0.156 4.314 4.470 0.001 0.000 0.241 235 S C 1.289 175.927 174.600 0.063 0.000 1.080 235 S CA 1.862 60.087 58.200 0.042 0.000 1.109 235 S CB -0.476 62.744 63.200 0.033 0.000 0.966 235 S HN 0.717 nan 8.310 nan 0.000 0.449 236 L N 0.923 122.207 121.223 0.103 0.000 2.693 236 L HA 0.289 4.629 4.340 0.001 0.000 0.235 236 L C 0.329 177.299 176.870 0.166 0.000 1.127 236 L CA -0.291 54.648 54.840 0.164 0.000 0.914 236 L CB -0.037 42.188 42.059 0.277 0.000 1.193 236 L HN 0.125 nan 8.230 nan 0.000 0.502 237 E N 2.178 122.447 120.200 0.116 0.000 2.415 237 E HA 0.203 4.554 4.350 0.001 0.000 0.262 237 E C -0.233 176.428 176.600 0.101 0.000 1.038 237 E CA 0.447 56.908 56.400 0.101 0.000 0.921 237 E CB 1.223 30.969 29.700 0.076 0.000 0.950 237 E HN 0.020 nan 8.360 nan 0.000 0.438 238 K N 0.638 121.101 120.400 0.104 0.000 2.512 238 K HA 0.446 4.766 4.320 0.001 0.000 0.263 238 K C -0.850 175.812 176.600 0.105 0.000 0.966 238 K CA -0.727 55.622 56.287 0.103 0.000 0.851 238 K CB 2.389 34.962 32.500 0.120 0.000 1.395 238 K HN 0.318 nan 8.250 nan 0.000 0.440 239 S N 0.421 116.186 115.700 0.108 0.000 2.566 239 S HA 0.574 5.044 4.470 0.001 0.000 0.298 239 S C -1.704 172.999 174.600 0.173 0.000 1.083 239 S CA -0.566 57.703 58.200 0.116 0.000 0.978 239 S CB 1.131 64.377 63.200 0.077 0.000 1.073 239 S HN 0.504 nan 8.310 nan 0.000 0.491 240 Y N 1.599 121.902 120.300 0.006 0.000 2.315 240 Y HA 0.313 4.863 4.550 0.001 0.000 0.324 240 Y C -0.538 175.358 175.900 -0.006 0.000 1.062 240 Y CA -0.399 57.701 58.100 -0.001 0.000 1.159 240 Y CB 0.976 39.429 38.460 -0.011 0.000 1.145 240 Y HN 0.658 nan 8.280 nan 0.000 0.442 241 E N 7.116 127.145 120.200 -0.286 0.000 2.152 241 E HA 0.287 4.637 4.350 0.001 0.000 0.285 241 E C -0.575 175.872 176.600 -0.256 0.000 1.043 241 E CA -0.365 55.919 56.400 -0.192 0.000 0.839 241 E CB 0.643 30.253 29.700 -0.150 0.000 1.069 241 E HN 0.707 nan 8.360 nan 0.000 0.399 242 L N 4.984 126.176 121.223 -0.051 0.000 2.468 242 L HA 0.126 4.467 4.340 0.001 0.000 0.253 242 L C -1.580 175.276 176.870 -0.023 0.000 1.237 242 L CA -1.406 53.449 54.840 0.026 0.000 0.823 242 L CB -0.356 41.756 42.059 0.088 0.000 1.124 242 L HN 0.503 nan 8.230 nan 0.000 0.504 243 P HA -0.058 nan 4.420 nan 0.000 0.220 243 P C 0.851 178.153 177.300 0.003 0.000 1.154 243 P CA 0.640 63.739 63.100 -0.002 0.000 0.830 243 P CB 0.002 31.714 31.700 0.020 0.000 0.803 244 D N -0.172 120.238 120.400 0.016 0.000 2.170 244 D HA -0.181 4.459 4.640 0.001 0.000 0.193 244 D C 1.661 177.962 176.300 0.001 0.000 1.004 244 D CA 2.543 56.549 54.000 0.010 0.000 0.860 244 D CB -1.132 39.675 40.800 0.011 0.000 0.931 244 D HN 0.331 nan 8.370 nan 0.000 0.448 245 G N -0.150 108.648 108.800 -0.002 0.000 3.465 245 G HA2 -0.242 3.718 3.960 0.001 0.000 0.196 245 G HA3 -0.242 3.718 3.960 0.001 0.000 0.196 245 G C 0.059 174.958 174.900 -0.002 0.000 1.170 245 G CA 0.187 45.282 45.100 -0.008 0.000 0.887 245 G HN 0.638 nan 8.290 nan 0.000 0.444 246 Q N 1.989 121.794 119.800 0.009 0.000 2.362 246 Q HA 0.346 4.686 4.340 0.001 0.000 0.305 246 Q C 0.285 176.304 176.000 0.031 0.000 1.120 246 Q CA 0.086 55.904 55.803 0.025 0.000 1.011 246 Q CB 0.351 29.108 28.738 0.033 0.000 1.048 246 Q HN 0.349 nan 8.270 nan 0.000 0.386 247 V N 6.737 126.673 119.914 0.036 0.000 2.732 247 V HA 0.368 4.489 4.120 0.001 0.000 0.297 247 V C 0.474 176.616 176.094 0.081 0.000 1.060 247 V CA -0.249 62.075 62.300 0.040 0.000 1.038 247 V CB 0.964 32.806 31.823 0.030 0.000 1.003 247 V HN 0.813 nan 8.190 nan 0.000 0.481 248 I N 0.579 121.193 120.570 0.073 0.000 2.865 248 I HA 0.752 4.923 4.170 0.001 0.000 0.302 248 I C -0.595 175.582 176.117 0.100 0.000 1.140 248 I CA -0.361 60.988 61.300 0.082 0.000 1.021 248 I CB 2.796 40.628 38.000 -0.279 0.000 1.233 248 I HN 0.527 nan 8.210 nan 0.000 0.427 249 T N 5.985 120.630 114.554 0.150 0.000 2.855 249 T HA 0.687 5.037 4.350 0.001 0.000 0.281 249 T C -0.156 174.612 174.700 0.114 0.000 1.007 249 T CA -0.461 61.710 62.100 0.119 0.000 1.009 249 T CB 1.802 70.735 68.868 0.108 0.000 0.983 249 T HN 0.453 nan 8.240 nan 0.000 0.455 250 I N 0.841 121.462 120.570 0.085 0.000 2.646 250 I HA 0.685 4.855 4.170 0.001 0.000 0.299 250 I C 0.798 176.953 176.117 0.063 0.000 1.036 250 I CA -0.937 60.399 61.300 0.060 0.000 1.074 250 I CB 2.271 40.290 38.000 0.032 0.000 1.258 250 I HN 0.836 nan 8.210 nan 0.000 0.430 251 G N 2.575 111.392 108.800 0.028 0.000 2.665 251 G HA2 0.005 3.965 3.960 0.001 0.000 0.204 251 G HA3 0.005 3.965 3.960 0.001 0.000 0.204 251 G C 0.650 175.523 174.900 -0.045 0.000 1.883 251 G CA 0.110 45.236 45.100 0.044 0.000 0.734 251 G HN 0.633 nan 8.290 nan 0.000 0.811 252 N N 1.163 119.759 118.700 -0.174 0.000 2.520 252 N HA 0.000 4.740 4.740 0.001 0.000 0.185 252 N C 1.380 176.361 175.510 -0.882 0.000 1.068 252 N CA 1.484 54.121 53.050 -0.689 0.000 0.911 252 N CB -0.159 38.079 38.487 -0.416 0.000 0.961 252 N HN 0.440 nan 8.380 nan 0.000 0.446 253 E N 0.427 120.387 120.200 -0.400 0.000 2.268 253 E HA -0.020 4.330 4.350 0.001 0.000 0.195 253 E C 1.764 178.202 176.600 -0.269 0.000 0.995 253 E CA 0.686 56.914 56.400 -0.287 0.000 0.836 253 E CB -0.046 29.562 29.700 -0.152 0.000 0.763 253 E HN 0.469 nan 8.360 nan 0.000 0.491 254 R N -0.230 120.121 120.500 -0.248 0.000 2.120 254 R HA -0.115 4.226 4.340 0.001 0.000 0.234 254 R C 1.683 177.822 176.300 -0.269 0.000 1.123 254 R CA 1.607 57.637 56.100 -0.117 0.000 0.975 254 R CB -0.296 30.081 30.300 0.129 0.000 0.866 254 R HN 0.371 nan 8.270 nan 0.000 0.446 255 F N -1.718 118.015 119.950 -0.361 0.000 2.720 255 F HA 0.397 4.924 4.527 0.001 0.000 0.301 255 F C 1.723 177.486 175.800 -0.063 0.000 1.103 255 F CA -0.618 57.112 58.000 -0.450 0.000 1.291 255 F CB -0.030 38.559 39.000 -0.685 0.000 1.086 255 F HN -0.333 nan 8.300 nan 0.000 0.592 256 R N 0.076 120.465 120.500 -0.185 0.000 2.148 256 R HA -0.061 4.280 4.340 0.001 0.000 0.223 256 R C 2.302 178.738 176.300 0.228 0.000 1.088 256 R CA 1.206 57.401 56.100 0.158 0.000 0.985 256 R CB -0.762 29.556 30.300 0.030 0.000 0.880 256 R HN 0.586 nan 8.270 nan 0.000 0.451 257 C N 1.207 120.572 119.300 0.107 0.000 2.462 257 C HA 0.076 4.536 4.460 0.001 0.000 0.278 257 C C -0.680 174.315 174.990 0.009 0.000 1.253 257 C CA 0.433 59.563 59.018 0.187 0.000 1.713 257 C CB -0.890 26.902 27.740 0.088 0.000 2.049 257 C HN 0.226 nan 8.230 nan 0.000 0.477 258 P HA -0.052 nan 4.420 nan 0.000 0.223 258 P C 1.285 178.507 177.300 -0.130 0.000 1.151 258 P CA 1.393 64.272 63.100 -0.369 0.000 0.787 258 P CB -0.261 31.027 31.700 -0.687 0.000 0.788 259 E N -0.357 119.813 120.200 -0.049 0.000 2.273 259 E HA -0.157 4.193 4.350 0.001 0.000 0.198 259 E C 1.438 177.882 176.600 -0.259 0.000 1.002 259 E CA 1.465 57.798 56.400 -0.112 0.000 0.828 259 E CB -1.306 28.251 29.700 -0.239 0.000 0.747 259 E HN 0.125 nan 8.360 nan 0.000 0.491 260 T N 0.456 114.874 114.554 -0.225 0.000 2.897 260 T HA -0.116 4.234 4.350 0.001 0.000 0.271 260 T C 1.596 176.121 174.700 -0.291 0.000 1.084 260 T CA 0.995 62.894 62.100 -0.336 0.000 1.123 260 T CB -0.142 68.542 68.868 -0.307 0.000 0.865 260 T HN 0.203 nan 8.240 nan 0.000 0.496 261 L N -0.706 120.375 121.223 -0.237 0.000 2.217 261 L HA 0.054 4.394 4.340 0.001 0.000 0.211 261 L C 1.796 178.379 176.870 -0.478 0.000 1.107 261 L CA 1.226 55.854 54.840 -0.353 0.000 0.783 261 L CB -0.361 41.432 42.059 -0.444 0.000 0.919 261 L HN 0.301 nan 8.230 nan 0.000 0.442 262 F N -1.067 118.721 119.950 -0.270 0.000 2.622 262 F HA 0.113 4.640 4.527 0.000 0.000 0.288 262 F C 1.002 176.649 175.800 -0.254 0.000 1.120 262 F CA -0.013 57.833 58.000 -0.257 0.000 1.423 262 F CB 0.363 39.095 39.000 -0.447 0.000 1.127 262 F HN -0.050 nan 8.300 nan 0.000 0.588 263 Q N 0.724 120.332 119.800 -0.320 0.000 2.798 263 Q HA 0.210 4.550 4.340 0.001 0.000 0.250 263 Q C -2.162 173.519 176.000 -0.532 0.000 1.006 263 Q CA -1.661 53.833 55.803 -0.515 0.000 0.759 263 Q CB 1.385 29.522 28.738 -1.002 0.000 1.201 263 Q HN -0.020 nan 8.270 nan 0.000 0.486 264 P HA -0.200 nan 4.420 nan 0.000 0.221 264 P C 1.231 178.447 177.300 -0.140 0.000 1.145 264 P CA 1.249 64.225 63.100 -0.207 0.000 0.795 264 P CB 0.175 31.789 31.700 -0.143 0.000 0.775 265 S N -2.387 113.244 115.700 -0.115 0.000 2.641 265 S HA -0.086 4.384 4.470 0.001 0.000 0.239 265 S C 1.431 176.134 174.600 0.172 0.000 0.972 265 S CA 0.506 58.712 58.200 0.009 0.000 0.954 265 S CB -1.366 61.849 63.200 0.026 0.000 0.767 265 S HN -0.061 nan 8.310 nan 0.000 0.539 266 F N 2.140 121.979 119.950 -0.186 0.000 2.335 266 F HA 0.335 4.862 4.527 0.001 0.000 0.296 266 F C 1.785 177.419 175.800 -0.276 0.000 1.091 266 F CA -0.515 57.329 58.000 -0.259 0.000 1.399 266 F CB -0.335 38.379 39.000 -0.477 0.000 1.067 266 F HN 0.392 nan 8.300 nan 0.000 0.520 267 I N -3.154 117.370 120.570 -0.076 0.000 3.914 267 I HA 0.504 4.675 4.170 0.001 0.000 0.333 267 I C 1.193 177.311 176.117 0.000 0.000 1.449 267 I CA 0.442 61.718 61.300 -0.040 0.000 1.135 267 I CB -0.332 37.621 38.000 -0.079 0.000 1.073 267 I HN 0.150 nan 8.210 nan 0.000 0.401 268 G N 2.128 110.937 108.800 0.015 0.000 2.176 268 G HA2 -0.267 3.694 3.960 0.001 0.000 0.252 268 G HA3 -0.267 3.694 3.960 0.001 0.000 0.252 268 G C -0.021 174.875 174.900 -0.007 0.000 1.024 268 G CA 0.081 45.191 45.100 0.016 0.000 0.755 268 G HN 0.483 nan 8.290 nan 0.000 0.507 269 M N 0.394 119.978 119.600 -0.028 0.000 2.080 269 M HA 0.259 4.739 4.480 0.001 0.000 0.350 269 M C 0.891 177.167 176.300 -0.039 0.000 1.173 269 M CA -0.160 55.116 55.300 -0.040 0.000 1.052 269 M CB 0.828 33.391 32.600 -0.061 0.000 1.577 269 M HN 0.181 nan 8.290 nan 0.000 0.455 270 E N 1.361 121.544 120.200 -0.029 0.000 2.322 270 E HA 0.036 4.387 4.350 0.001 0.000 0.195 270 E C 0.211 176.790 176.600 -0.035 0.000 1.198 270 E CA -0.196 56.189 56.400 -0.026 0.000 1.132 270 E CB 0.236 29.927 29.700 -0.016 0.000 1.213 270 E HN 0.486 nan 8.360 nan 0.000 0.450 271 S N 0.054 115.724 115.700 -0.049 0.000 2.713 271 S HA 0.633 5.103 4.470 0.001 0.000 0.277 271 S C -0.191 174.370 174.600 -0.064 0.000 1.168 271 S CA -0.540 57.626 58.200 -0.057 0.000 0.994 271 S CB 1.115 64.274 63.200 -0.069 0.000 1.054 271 S HN 0.229 nan 8.310 nan 0.000 0.555 272 A N 0.500 123.279 122.820 -0.069 0.000 2.311 272 A HA 0.766 5.086 4.320 0.001 0.000 0.334 272 A C 0.500 178.035 177.584 -0.081 0.000 1.139 272 A CA -0.308 51.685 52.037 -0.074 0.000 0.830 272 A CB 0.482 19.435 19.000 -0.078 0.000 1.234 272 A HN 1.028 nan 8.150 nan 0.000 0.483 273 G N -0.441 108.329 108.800 -0.051 0.000 2.634 273 G HA2 0.399 4.359 3.960 0.001 0.000 0.255 273 G HA3 0.399 4.359 3.960 0.001 0.000 0.255 273 G C 1.016 175.913 174.900 -0.006 0.000 1.205 273 G CA 0.015 45.123 45.100 0.013 0.000 0.884 273 G HN 1.215 nan 8.290 nan 0.000 0.549 274 I N -1.202 119.309 120.570 -0.097 0.000 2.567 274 I HA -0.184 3.986 4.170 0.001 0.000 0.257 274 I C 2.176 178.305 176.117 0.021 0.000 1.184 274 I CA 1.613 62.837 61.300 -0.125 0.000 1.451 274 I CB -0.600 37.228 38.000 -0.287 0.000 1.089 274 I HN 0.624 nan 8.210 nan 0.000 0.441 275 H N 1.418 120.435 119.070 -0.088 0.000 2.333 275 H HA -0.012 4.545 4.556 0.001 0.000 0.302 275 H C 1.676 177.059 175.328 0.092 0.000 1.075 275 H CA 1.567 57.653 56.048 0.063 0.000 1.348 275 H CB -1.065 28.802 29.762 0.176 0.000 1.393 275 H HN 0.483 nan 8.280 nan 0.000 0.509 276 E N 0.497 120.451 120.200 -0.410 0.000 2.051 276 E HA -0.131 4.220 4.350 0.001 0.000 0.192 276 E C 2.395 178.975 176.600 -0.034 0.000 0.991 276 E CA 2.249 58.512 56.400 -0.229 0.000 0.799 276 E CB 0.024 29.534 29.700 -0.317 0.000 0.748 276 E HN 0.740 nan 8.360 nan 0.000 0.449 277 T N -1.577 112.941 114.554 -0.059 0.000 2.833 277 T HA -0.123 4.228 4.350 0.001 0.000 0.269 277 T C 2.002 176.690 174.700 -0.020 0.000 1.054 277 T CA 1.573 63.647 62.100 -0.044 0.000 1.135 277 T CB -0.497 68.335 68.868 -0.060 0.000 0.869 277 T HN -0.026 nan 8.240 nan 0.000 0.466 278 T N 0.753 115.320 114.554 0.021 0.000 2.777 278 T HA -0.022 4.329 4.350 0.001 0.000 0.266 278 T C 1.455 176.203 174.700 0.079 0.000 1.040 278 T CA 1.319 63.446 62.100 0.046 0.000 1.141 278 T CB -0.526 68.397 68.868 0.091 0.000 0.868 278 T HN 0.564 nan 8.240 nan 0.000 0.444 279 Y N 2.288 122.593 120.300 0.008 0.000 2.200 279 Y HA -0.034 4.516 4.550 0.000 0.000 0.290 279 Y C 2.013 177.908 175.900 -0.008 0.000 1.137 279 Y CA 1.083 59.206 58.100 0.039 0.000 1.163 279 Y CB -0.784 37.711 38.460 0.057 0.000 0.988 279 Y HN 0.253 nan 8.280 nan 0.000 0.518 280 N N -0.875 117.720 118.700 -0.176 0.000 2.166 280 N HA -0.223 4.518 4.740 0.001 0.000 0.186 280 N C 2.061 177.442 175.510 -0.215 0.000 1.019 280 N CA 1.177 54.077 53.050 -0.251 0.000 0.856 280 N CB -0.318 38.099 38.487 -0.116 0.000 0.993 280 N HN 0.295 nan 8.380 nan 0.000 0.426 281 S N 0.943 116.553 115.700 -0.149 0.000 2.368 281 S HA -0.045 4.425 4.470 0.001 0.000 0.225 281 S C 1.895 176.387 174.600 -0.180 0.000 1.030 281 S CA 0.775 58.890 58.200 -0.141 0.000 0.999 281 S CB -0.186 62.953 63.200 -0.101 0.000 0.844 281 S HN 0.207 nan 8.310 nan 0.000 0.459 282 I N 1.275 121.717 120.570 -0.214 0.000 2.179 282 I HA -0.168 4.002 4.170 0.001 0.000 0.242 282 I C 2.476 178.436 176.117 -0.263 0.000 1.088 282 I CA 1.063 62.196 61.300 -0.278 0.000 1.357 282 I CB -0.408 37.325 38.000 -0.445 0.000 1.051 282 I HN 0.331 nan 8.210 nan 0.000 0.409 283 M N 0.421 119.827 119.600 -0.324 0.000 2.337 283 M HA -0.200 4.280 4.480 0.001 0.000 0.261 283 M C 1.905 178.108 176.300 -0.162 0.000 1.067 283 M CA 1.500 56.634 55.300 -0.277 0.000 1.074 283 M CB -0.961 31.379 32.600 -0.433 0.000 1.395 283 M HN 0.148 nan 8.290 nan 0.000 0.431 284 K N -0.632 119.680 120.400 -0.147 0.000 2.487 284 K HA 0.048 4.369 4.320 0.001 0.000 0.192 284 K C 0.298 176.897 176.600 -0.001 0.000 1.027 284 K CA 0.121 56.367 56.287 -0.069 0.000 1.054 284 K CB -0.010 32.436 32.500 -0.090 0.000 0.824 284 K HN 0.332 nan 8.250 nan 0.000 0.510 285 C N 0.577 119.849 119.300 -0.047 0.000 2.407 285 C HA 0.257 4.717 4.460 0.001 0.000 0.366 285 C C 0.417 175.399 174.990 -0.014 0.000 1.213 285 C CA -1.123 57.896 59.018 0.001 0.000 2.011 285 C CB 1.151 28.849 27.740 -0.071 0.000 2.306 285 C HN 0.356 nan 8.230 nan 0.000 0.527 286 D N 0.733 121.120 120.400 -0.020 0.000 2.583 286 D HA -0.031 4.609 4.640 0.001 0.000 0.232 286 D C 0.952 177.221 176.300 -0.053 0.000 1.128 286 D CA 0.446 54.411 54.000 -0.058 0.000 0.859 286 D CB 0.351 41.081 40.800 -0.116 0.000 1.169 286 D HN 0.507 nan 8.370 nan 0.000 0.481 287 I N 1.987 122.537 120.570 -0.034 0.000 2.700 287 I HA -0.256 3.915 4.170 0.001 0.000 0.261 287 I C 0.520 176.638 176.117 0.001 0.000 1.219 287 I CA 1.256 62.550 61.300 -0.009 0.000 1.463 287 I CB 0.149 38.151 38.000 0.004 0.000 1.092 287 I HN 0.359 nan 8.210 nan 0.000 0.452 288 D N 0.708 121.096 120.400 -0.020 0.000 2.333 288 D HA -0.034 4.606 4.640 0.001 0.000 0.208 288 D C 1.829 178.134 176.300 0.008 0.000 0.984 288 D CA 0.969 54.967 54.000 -0.004 0.000 0.873 288 D CB 0.054 40.842 40.800 -0.019 0.000 0.935 288 D HN 0.597 nan 8.370 nan 0.000 0.521 289 I N -2.457 118.099 120.570 -0.023 0.000 4.018 289 I HA 0.254 4.424 4.170 0.001 0.000 0.337 289 I C 1.432 177.561 176.117 0.020 0.000 1.327 289 I CA -0.291 61.019 61.300 0.017 0.000 1.100 289 I CB 0.331 38.294 38.000 -0.062 0.000 1.025 289 I HN -0.226 nan 8.210 nan 0.000 0.396 290 R N 1.798 122.295 120.500 -0.006 0.000 2.081 290 R HA -0.126 4.215 4.340 0.001 0.000 0.235 290 R C 2.088 178.426 176.300 0.063 0.000 1.131 290 R CA 1.524 57.590 56.100 -0.057 0.000 0.960 290 R CB -0.374 29.910 30.300 -0.026 0.000 0.856 290 R HN 0.381 nan 8.270 nan 0.000 0.436 291 K N 1.013 121.501 120.400 0.147 0.000 2.015 291 K HA -0.211 4.110 4.320 0.001 0.000 0.216 291 K C 1.669 178.362 176.600 0.155 0.000 1.052 291 K CA 2.132 58.530 56.287 0.185 0.000 0.937 291 K CB -0.083 32.494 32.500 0.129 0.000 0.719 291 K HN 0.101 nan 8.250 nan 0.000 0.446 292 D N 0.483 120.953 120.400 0.117 0.000 2.149 292 D HA -0.186 4.455 4.640 0.001 0.000 0.198 292 D C 2.012 178.366 176.300 0.090 0.000 0.990 292 D CA 1.176 55.241 54.000 0.107 0.000 0.839 292 D CB -0.085 40.792 40.800 0.128 0.000 0.948 292 D HN 0.267 nan 8.370 nan 0.000 0.460 293 L N -0.336 120.917 121.223 0.050 0.000 2.023 293 L HA -0.181 4.160 4.340 0.001 0.000 0.205 293 L C 2.532 179.420 176.870 0.029 0.000 1.073 293 L CA 0.845 55.681 54.840 -0.007 0.000 0.745 293 L CB -0.548 41.441 42.059 -0.117 0.000 0.900 293 L HN -0.003 nan 8.230 nan 0.000 0.435 294 Y N 0.293 120.630 120.300 0.063 0.000 2.241 294 Y HA -0.232 4.318 4.550 0.000 0.000 0.286 294 Y C 2.381 178.315 175.900 0.057 0.000 1.166 294 Y CA 1.060 59.200 58.100 0.065 0.000 1.203 294 Y CB -0.580 37.922 38.460 0.069 0.000 0.977 294 Y HN 0.145 nan 8.280 nan 0.000 0.529 295 A N -0.940 122.005 122.820 0.209 0.000 2.337 295 A HA 0.150 4.471 4.320 0.001 0.000 0.227 295 A C 0.550 178.193 177.584 0.099 0.000 1.259 295 A CA 0.053 52.171 52.037 0.134 0.000 0.870 295 A CB -0.359 18.707 19.000 0.110 0.000 0.927 295 A HN 0.388 nan 8.150 nan 0.000 0.497 296 N N 0.966 119.723 118.700 0.095 0.000 2.636 296 N HA 0.049 4.789 4.740 0.001 0.000 0.287 296 N C -1.364 174.181 175.510 0.059 0.000 1.817 296 N CA -0.209 52.882 53.050 0.068 0.000 0.842 296 N CB 0.392 38.913 38.487 0.057 0.000 1.353 296 N HN 0.234 nan 8.380 nan 0.000 0.500 297 N N 1.452 120.195 118.700 0.072 0.000 2.399 297 N HA 0.116 4.857 4.740 0.001 0.000 0.259 297 N C -0.417 175.123 175.510 0.051 0.000 1.160 297 N CA 0.260 53.347 53.050 0.063 0.000 0.946 297 N CB 1.426 39.964 38.487 0.085 0.000 1.156 297 N HN 0.011 nan 8.380 nan 0.000 0.489 298 V N 4.620 124.556 119.914 0.035 0.000 2.394 298 V HA 0.358 4.479 4.120 0.001 0.000 0.282 298 V C 0.519 176.628 176.094 0.025 0.000 1.031 298 V CA -0.464 61.855 62.300 0.030 0.000 0.881 298 V CB 1.380 33.216 31.823 0.021 0.000 0.982 298 V HN 0.498 nan 8.190 nan 0.000 0.451 299 M N 4.728 124.346 119.600 0.030 0.000 2.238 299 M HA 0.581 5.062 4.480 0.001 0.000 0.350 299 M C -0.011 176.299 176.300 0.016 0.000 1.138 299 M CA -0.003 55.312 55.300 0.024 0.000 1.040 299 M CB 1.912 34.534 32.600 0.036 0.000 1.639 299 M HN 0.812 nan 8.290 nan 0.000 0.451 300 S N 1.748 117.451 115.700 0.005 0.000 2.627 300 S HA 1.022 5.493 4.470 0.001 0.000 0.283 300 S C -0.319 174.270 174.600 -0.019 0.000 1.127 300 S CA -0.185 58.013 58.200 -0.003 0.000 0.863 300 S CB 2.148 65.349 63.200 0.002 0.000 1.121 300 S HN 1.311 nan 8.310 nan 0.000 0.479 301 G N -0.324 108.452 108.800 -0.041 0.000 2.619 301 G HA2 0.324 4.285 3.960 0.001 0.000 0.686 301 G HA3 0.324 4.285 3.960 0.001 0.000 0.686 301 G C 0.484 175.320 174.900 -0.106 0.000 1.256 301 G CA -0.135 44.925 45.100 -0.068 0.000 0.826 301 G HN 1.713 nan 8.290 nan 0.000 0.619 302 G N -1.395 107.321 108.800 -0.139 0.000 2.623 302 G HA2 0.255 4.215 3.960 0.001 0.000 0.214 302 G HA3 0.255 4.215 3.960 0.001 0.000 0.214 302 G C 1.453 176.243 174.900 -0.184 0.000 1.138 302 G CA 1.967 46.958 45.100 -0.182 0.000 0.794 302 G HN 1.167 nan 8.290 nan 0.000 0.535 303 T N 0.742 115.229 114.554 -0.111 0.000 3.129 303 T HA 0.010 4.360 4.350 0.001 0.000 0.251 303 T C 2.379 177.101 174.700 0.036 0.000 1.117 303 T CA 1.298 63.369 62.100 -0.047 0.000 1.034 303 T CB 0.015 68.901 68.868 0.031 0.000 0.968 303 T HN 0.468 nan 8.240 nan 0.000 0.526 304 T N -0.768 113.778 114.554 -0.013 0.000 3.107 304 T HA 0.213 4.563 4.350 0.001 0.000 0.249 304 T C 1.628 176.345 174.700 0.028 0.000 1.096 304 T CA -0.150 61.980 62.100 0.050 0.000 1.012 304 T CB -0.214 68.670 68.868 0.026 0.000 0.977 304 T HN 0.052 nan 8.240 nan 0.000 0.527 305 M N 0.982 120.516 119.600 -0.111 0.000 2.659 305 M HA 0.249 4.729 4.480 0.001 0.000 0.243 305 M C -0.451 175.797 176.300 -0.086 0.000 1.111 305 M CA -0.249 54.974 55.300 -0.128 0.000 1.070 305 M CB -1.192 31.283 32.600 -0.207 0.000 1.525 305 M HN 0.310 nan 8.290 nan 0.000 0.517 306 Y N 1.471 121.806 120.300 0.059 0.000 2.526 306 Y HA 0.116 4.666 4.550 0.001 0.000 0.330 306 Y C -1.687 174.281 175.900 0.114 0.000 1.156 306 Y CA -2.102 56.057 58.100 0.097 0.000 1.419 306 Y CB -0.656 37.874 38.460 0.116 0.000 1.250 306 Y HN 0.093 nan 8.280 nan 0.000 0.540 307 P HA 0.070 nan 4.420 nan 0.000 0.265 307 P C 0.805 178.245 177.300 0.234 0.000 1.193 307 P CA 1.418 64.637 63.100 0.198 0.000 0.765 307 P CB 0.660 32.455 31.700 0.159 0.000 0.823 308 G N 2.785 111.679 108.800 0.156 0.000 2.225 308 G HA2 -0.338 3.622 3.960 0.001 0.000 0.254 308 G HA3 -0.338 3.622 3.960 0.001 0.000 0.254 308 G C 0.914 175.897 174.900 0.138 0.000 0.988 308 G CA 0.226 45.410 45.100 0.139 0.000 0.625 308 G HN 0.568 nan 8.290 nan 0.000 0.527 309 I N 0.949 121.632 120.570 0.188 0.000 2.394 309 I HA 0.132 4.303 4.170 0.001 0.000 0.251 309 I C 2.833 179.058 176.117 0.180 0.000 1.136 309 I CA 1.924 63.358 61.300 0.224 0.000 1.425 309 I CB -0.226 37.937 38.000 0.271 0.000 1.079 309 I HN 0.359 nan 8.210 nan 0.000 0.425 310 A N 0.670 123.568 122.820 0.131 0.000 1.877 310 A HA -0.258 4.063 4.320 0.001 0.000 0.216 310 A C 1.734 179.370 177.584 0.086 0.000 1.186 310 A CA 2.308 54.407 52.037 0.103 0.000 0.620 310 A CB -0.753 18.294 19.000 0.080 0.000 0.822 310 A HN 0.517 nan 8.150 nan 0.000 0.443 311 D N -1.353 119.086 120.400 0.065 0.000 2.234 311 D HA -0.026 4.615 4.640 0.001 0.000 0.205 311 D C 2.021 178.331 176.300 0.017 0.000 0.962 311 D CA 1.057 55.079 54.000 0.037 0.000 0.855 311 D CB -0.107 40.706 40.800 0.021 0.000 0.951 311 D HN 0.370 nan 8.370 nan 0.000 0.500 312 R N 0.617 121.122 120.500 0.009 0.000 2.073 312 R HA -0.069 4.271 4.340 0.001 0.000 0.234 312 R C 1.885 178.188 176.300 0.004 0.000 1.134 312 R CA 1.144 57.195 56.100 -0.082 0.000 0.952 312 R CB -0.550 29.609 30.300 -0.234 0.000 0.850 312 R HN 0.108 nan 8.270 nan 0.000 0.433 313 M N 0.500 120.184 119.600 0.139 0.000 2.086 313 M HA -0.132 4.348 4.480 0.001 0.000 0.261 313 M C 2.166 178.541 176.300 0.125 0.000 1.067 313 M CA 2.100 57.520 55.300 0.200 0.000 1.116 313 M CB -0.547 32.172 32.600 0.197 0.000 1.348 313 M HN 0.319 nan 8.290 nan 0.000 0.407 314 Q N 0.305 120.156 119.800 0.086 0.000 2.061 314 Q HA -0.246 4.095 4.340 0.001 0.000 0.204 314 Q C 2.088 178.109 176.000 0.035 0.000 0.984 314 Q CA 2.539 58.377 55.803 0.060 0.000 0.846 314 Q CB -0.421 28.343 28.738 0.044 0.000 0.902 314 Q HN 0.617 nan 8.270 nan 0.000 0.421 315 K N -0.466 119.944 120.400 0.016 0.000 2.001 315 K HA -0.188 4.133 4.320 0.001 0.000 0.208 315 K C 1.853 178.454 176.600 0.001 0.000 1.048 315 K CA 1.496 57.778 56.287 -0.008 0.000 0.932 315 K CB -0.097 32.381 32.500 -0.036 0.000 0.715 315 K HN 0.182 nan 8.250 nan 0.000 0.437 316 E N 0.991 121.205 120.200 0.023 0.000 2.085 316 E HA -0.186 4.164 4.350 0.001 0.000 0.194 316 E C 2.071 178.723 176.600 0.087 0.000 0.994 316 E CA 0.972 57.418 56.400 0.077 0.000 0.801 316 E CB -0.155 29.629 29.700 0.140 0.000 0.743 316 E HN 0.402 nan 8.360 nan 0.000 0.453 317 I N 1.040 121.666 120.570 0.094 0.000 2.353 317 I HA -0.149 4.021 4.170 0.001 0.000 0.248 317 I C 2.038 178.133 176.117 -0.035 0.000 1.119 317 I CA 1.047 62.389 61.300 0.070 0.000 1.417 317 I CB -1.351 36.735 38.000 0.143 0.000 1.078 317 I HN 0.043 nan 8.210 nan 0.000 0.421 318 T N 1.332 115.864 114.554 -0.036 0.000 2.881 318 T HA -0.059 4.291 4.350 0.001 0.000 0.270 318 T C 1.942 176.584 174.700 -0.097 0.000 1.068 318 T CA 1.313 63.366 62.100 -0.079 0.000 1.131 318 T CB -0.097 68.741 68.868 -0.050 0.000 0.871 318 T HN 0.454 nan 8.240 nan 0.000 0.479 319 A N 0.577 123.349 122.820 -0.080 0.000 2.030 319 A HA 0.300 4.620 4.320 0.001 0.000 0.215 319 A C 2.137 179.630 177.584 -0.152 0.000 1.164 319 A CA 0.489 52.473 52.037 -0.087 0.000 0.697 319 A CB -0.370 18.600 19.000 -0.049 0.000 0.827 319 A HN 0.449 nan 8.150 nan 0.000 0.457 320 L N -0.757 120.324 121.223 -0.236 0.000 2.209 320 L HA 0.152 4.492 4.340 0.001 0.000 0.207 320 L C 1.635 178.172 176.870 -0.555 0.000 1.094 320 L CA 0.398 54.932 54.840 -0.510 0.000 0.790 320 L CB -0.348 41.242 42.059 -0.782 0.000 0.932 320 L HN 0.383 nan 8.230 nan 0.000 0.447 321 A N -0.345 122.277 122.820 -0.331 0.000 2.242 321 A HA 0.524 4.845 4.320 0.001 0.000 0.304 321 A C -2.195 175.299 177.584 -0.150 0.000 1.100 321 A CA -1.247 50.668 52.037 -0.205 0.000 0.860 321 A CB -0.439 18.278 19.000 -0.472 0.000 1.168 321 A HN -0.073 nan 8.150 nan 0.000 0.503 322 P HA 0.080 nan 4.420 nan 0.000 0.266 322 P C 0.533 177.774 177.300 -0.099 0.000 1.193 322 P CA 0.299 63.360 63.100 -0.064 0.000 0.770 322 P CB 0.551 32.236 31.700 -0.024 0.000 0.836 323 S N 0.224 115.886 115.700 -0.062 0.000 2.453 323 S HA -0.107 4.364 4.470 0.001 0.000 0.231 323 S C 1.460 176.028 174.600 -0.053 0.000 1.005 323 S CA 1.565 59.730 58.200 -0.058 0.000 0.949 323 S CB -0.834 62.344 63.200 -0.037 0.000 0.774 323 S HN 0.661 nan 8.310 nan 0.000 0.510 324 T N -0.498 114.029 114.554 -0.044 0.000 3.054 324 T HA 0.286 4.636 4.350 0.001 0.000 0.259 324 T C 0.563 175.242 174.700 -0.035 0.000 1.092 324 T CA 0.008 62.091 62.100 -0.028 0.000 1.121 324 T CB -0.296 68.567 68.868 -0.009 0.000 0.912 324 T HN 0.171 nan 8.240 nan 0.000 0.489 325 M N 2.599 122.156 119.600 -0.072 0.000 2.228 325 M HA 0.211 4.691 4.480 0.001 0.000 0.351 325 M C 0.182 176.432 176.300 -0.084 0.000 1.233 325 M CA -0.114 55.135 55.300 -0.085 0.000 1.129 325 M CB 0.622 33.092 32.600 -0.216 0.000 1.604 325 M HN -0.015 nan 8.290 nan 0.000 0.457 326 K N 4.456 124.844 120.400 -0.020 0.000 2.312 326 K HA 0.308 4.629 4.320 0.001 0.000 0.287 326 K C -1.280 175.331 176.600 0.018 0.000 1.062 326 K CA -0.333 55.954 56.287 -0.001 0.000 0.934 326 K CB 0.416 32.932 32.500 0.026 0.000 1.027 326 K HN 0.590 nan 8.250 nan 0.000 0.478 327 I N 3.586 124.158 120.570 0.004 0.000 2.566 327 I HA 0.345 4.515 4.170 0.001 0.000 0.303 327 I C -0.320 175.837 176.117 0.067 0.000 0.983 327 I CA -0.115 61.214 61.300 0.048 0.000 1.235 327 I CB 1.592 39.601 38.000 0.015 0.000 1.386 327 I HN 0.574 nan 8.210 nan 0.000 0.494 328 K N 5.263 125.719 120.400 0.095 0.000 2.561 328 K HA 0.506 4.826 4.320 0.001 0.000 0.254 328 K C -2.009 174.641 176.600 0.083 0.000 0.942 328 K CA -0.562 55.771 56.287 0.076 0.000 0.818 328 K CB 1.284 33.825 32.500 0.067 0.000 1.306 328 K HN 0.349 nan 8.250 nan 0.000 0.435 329 I N 5.031 125.644 120.570 0.072 0.000 2.377 329 I HA 0.366 4.536 4.170 0.001 0.000 0.293 329 I C -0.390 175.763 176.117 0.060 0.000 0.987 329 I CA -0.976 60.367 61.300 0.072 0.000 1.185 329 I CB 1.100 39.146 38.000 0.076 0.000 1.341 329 I HN 0.509 nan 8.210 nan 0.000 0.455 330 I N 5.381 125.985 120.570 0.056 0.000 2.354 330 I HA 0.456 4.627 4.170 0.001 0.000 0.286 330 I C 0.450 176.595 176.117 0.048 0.000 1.007 330 I CA -0.248 61.081 61.300 0.049 0.000 1.167 330 I CB 1.643 39.670 38.000 0.045 0.000 1.320 330 I HN 0.647 nan 8.210 nan 0.000 0.458 331 A N 7.870 130.719 122.820 0.048 0.000 2.801 331 A HA 0.724 5.044 4.320 0.001 0.000 0.344 331 A C -2.417 175.192 177.584 0.043 0.000 1.322 331 A CA -1.379 50.686 52.037 0.047 0.000 0.913 331 A CB -0.569 18.464 19.000 0.054 0.000 1.140 331 A HN 0.415 nan 8.150 nan 0.000 0.487 332 P HA 0.104 nan 4.420 nan 0.000 0.262 332 P C -2.007 175.320 177.300 0.044 0.000 1.182 332 P CA -0.687 62.440 63.100 0.045 0.000 0.761 332 P CB 0.501 32.231 31.700 0.050 0.000 0.795 333 P HA -0.104 nan 4.420 nan 0.000 0.228 333 P C 0.630 177.964 177.300 0.056 0.000 1.151 333 P CA 1.299 64.425 63.100 0.044 0.000 0.770 333 P CB 0.168 31.893 31.700 0.043 0.000 0.786 334 E N -0.735 119.509 120.200 0.073 0.000 2.451 334 E HA 0.063 4.413 4.350 0.001 0.000 0.194 334 E C 1.532 178.199 176.600 0.110 0.000 1.027 334 E CA -0.029 56.441 56.400 0.117 0.000 0.914 334 E CB -0.082 29.698 29.700 0.132 0.000 1.054 334 E HN 0.462 nan 8.360 nan 0.000 0.461 335 R N 0.626 121.157 120.500 0.051 0.000 2.235 335 R HA 0.026 4.367 4.340 0.001 0.000 0.213 335 R C 1.899 178.181 176.300 -0.030 0.000 1.059 335 R CA 0.756 56.872 56.100 0.027 0.000 0.997 335 R CB -0.218 30.092 30.300 0.016 0.000 0.884 335 R HN -0.091 nan 8.270 nan 0.000 0.462 336 K N 0.627 120.966 120.400 -0.101 0.000 2.160 336 K HA -0.183 4.138 4.320 0.001 0.000 0.206 336 K C 0.262 176.610 176.600 -0.420 0.000 1.047 336 K CA 1.468 57.570 56.287 -0.308 0.000 0.930 336 K CB 0.015 32.254 32.500 -0.436 0.000 0.720 336 K HN 0.351 nan 8.250 nan 0.000 0.450 337 Y N -0.351 119.966 120.300 0.029 0.000 2.612 337 Y HA 0.248 4.798 4.550 0.001 0.000 0.250 337 Y C 1.780 177.758 175.900 0.131 0.000 1.175 337 Y CA -0.391 57.753 58.100 0.074 0.000 1.205 337 Y CB 0.628 39.121 38.460 0.055 0.000 1.201 337 Y HN -0.015 nan 8.280 nan 0.000 0.532 338 S N 0.132 115.943 115.700 0.184 0.000 2.380 338 S HA -0.238 4.233 4.470 0.001 0.000 0.229 338 S C 2.220 176.903 174.600 0.139 0.000 1.050 338 S CA 2.078 60.362 58.200 0.140 0.000 1.100 338 S CB -0.637 62.605 63.200 0.071 0.000 0.984 338 S HN 0.280 nan 8.310 nan 0.000 0.434 339 V N 0.154 120.136 119.914 0.114 0.000 2.231 339 V HA -0.270 3.850 4.120 0.001 0.000 0.250 339 V C 1.844 178.009 176.094 0.119 0.000 1.058 339 V CA 2.323 64.673 62.300 0.083 0.000 1.022 339 V CB -0.901 30.966 31.823 0.073 0.000 0.640 339 V HN 0.713 nan 8.190 nan 0.000 0.445 340 W N 0.229 121.562 121.300 0.056 0.000 2.321 340 W HA -0.222 4.439 4.660 0.001 0.000 0.306 340 W C 2.297 178.841 176.519 0.043 0.000 1.217 340 W CA 2.113 59.491 57.345 0.055 0.000 1.257 340 W CB -0.240 29.272 29.460 0.086 0.000 1.145 340 W HN 0.192 nan 8.180 nan 0.000 0.509 341 I N 0.295 121.081 120.570 0.361 0.000 2.179 341 I HA -0.238 3.932 4.170 0.001 0.000 0.242 341 I C 2.708 178.801 176.117 -0.040 0.000 1.088 341 I CA 1.585 63.002 61.300 0.195 0.000 1.357 341 I CB -1.319 36.827 38.000 0.243 0.000 1.051 341 I HN 0.168 nan 8.210 nan 0.000 0.409 342 G N 0.491 109.289 108.800 -0.004 0.000 2.505 342 G HA2 -0.254 3.706 3.960 0.001 0.000 0.220 342 G HA3 -0.254 3.706 3.960 0.001 0.000 0.220 342 G C 1.669 176.496 174.900 -0.121 0.000 1.145 342 G CA 1.046 46.135 45.100 -0.020 0.000 0.761 342 G HN 0.519 nan 8.290 nan 0.000 0.571 343 G N 0.113 108.769 108.800 -0.239 0.000 2.394 343 G HA2 -0.144 3.816 3.960 0.001 0.000 0.214 343 G HA3 -0.144 3.816 3.960 0.001 0.000 0.214 343 G C 2.043 176.660 174.900 -0.471 0.000 1.176 343 G CA 1.502 46.391 45.100 -0.352 0.000 0.786 343 G HN 0.500 nan 8.290 nan 0.000 0.533 344 S N 0.277 115.555 115.700 -0.704 0.000 2.381 344 S HA -0.180 4.290 4.470 0.001 0.000 0.230 344 S C 2.367 176.786 174.600 -0.301 0.000 1.052 344 S CA 1.550 59.380 58.200 -0.617 0.000 1.068 344 S CB -0.323 62.439 63.200 -0.729 0.000 0.918 344 S HN 0.370 nan 8.310 nan 0.000 0.448 345 I N 0.518 120.946 120.570 -0.238 0.000 2.090 345 I HA -0.161 4.009 4.170 0.001 0.000 0.236 345 I C 2.369 178.323 176.117 -0.272 0.000 1.064 345 I CA 1.165 62.355 61.300 -0.182 0.000 1.324 345 I CB -0.568 37.353 38.000 -0.132 0.000 1.044 345 I HN 0.327 nan 8.210 nan 0.000 0.399 346 L N 1.566 122.569 121.223 -0.367 0.000 1.987 346 L HA -0.318 4.022 4.340 0.001 0.000 0.230 346 L C 2.572 178.956 176.870 -0.810 0.000 1.089 346 L CA 2.563 57.023 54.840 -0.633 0.000 0.802 346 L CB -1.003 40.622 42.059 -0.724 0.000 0.905 346 L HN 0.302 nan 8.230 nan 0.000 0.441 347 A N -1.563 120.818 122.820 -0.731 0.000 2.093 347 A HA -0.248 4.072 4.320 0.001 0.000 0.222 347 A C 2.298 179.867 177.584 -0.026 0.000 1.162 347 A CA 2.330 54.116 52.037 -0.418 0.000 0.655 347 A CB -0.988 17.977 19.000 -0.059 0.000 0.805 347 A HN 0.753 nan 8.150 nan 0.000 0.461 348 S N -1.136 114.510 115.700 -0.090 0.000 2.503 348 S HA 0.308 4.779 4.470 0.001 0.000 0.217 348 S C 0.615 175.226 174.600 0.018 0.000 0.999 348 S CA -0.387 57.824 58.200 0.018 0.000 0.914 348 S CB -0.447 62.752 63.200 -0.002 0.000 0.782 348 S HN 0.380 nan 8.310 nan 0.000 0.520 349 L N 3.008 124.202 121.223 -0.049 0.000 2.456 349 L HA 0.186 4.527 4.340 0.001 0.000 0.272 349 L C 1.840 178.743 176.870 0.054 0.000 1.189 349 L CA -0.043 54.780 54.840 -0.028 0.000 0.846 349 L CB 0.619 42.617 42.059 -0.102 0.000 1.111 349 L HN 0.400 nan 8.230 nan 0.000 0.475 350 S N -0.824 114.896 115.700 0.034 0.000 2.414 350 S HA -0.131 4.339 4.470 0.001 0.000 0.227 350 S C 1.632 176.248 174.600 0.027 0.000 1.022 350 S CA 0.799 59.025 58.200 0.044 0.000 0.958 350 S CB -0.500 62.716 63.200 0.026 0.000 0.797 350 S HN 0.844 nan 8.310 nan 0.000 0.493 351 T N -1.590 112.968 114.554 0.007 0.000 3.155 351 T HA 0.087 4.438 4.350 0.001 0.000 0.264 351 T C 1.097 175.786 174.700 -0.019 0.000 1.160 351 T CA 0.458 62.550 62.100 -0.014 0.000 1.075 351 T CB -0.649 68.201 68.868 -0.029 0.000 0.921 351 T HN 0.426 nan 8.240 nan 0.000 0.533 352 F N 1.419 121.261 119.950 -0.180 0.000 2.582 352 F HA 0.287 4.814 4.527 0.000 0.000 0.290 352 F C 2.140 177.752 175.800 -0.313 0.000 1.115 352 F CA -0.072 57.746 58.000 -0.303 0.000 1.445 352 F CB -0.027 38.739 39.000 -0.391 0.000 1.126 352 F HN -0.058 nan 8.300 nan 0.000 0.574 353 Q N 1.018 120.714 119.800 -0.173 0.000 2.368 353 Q HA -0.218 4.122 4.340 0.001 0.000 0.210 353 Q C 1.645 177.586 176.000 -0.099 0.000 0.982 353 Q CA 1.562 57.327 55.803 -0.062 0.000 0.884 353 Q CB -0.636 28.177 28.738 0.125 0.000 0.933 353 Q HN 0.720 nan 8.270 nan 0.000 0.460 354 Q N -1.497 118.182 119.800 -0.202 0.000 2.392 354 Q HA 0.145 4.485 4.340 0.001 0.000 0.203 354 Q C 1.473 177.341 176.000 -0.220 0.000 0.917 354 Q CA 0.160 55.882 55.803 -0.134 0.000 0.939 354 Q CB 0.114 28.802 28.738 -0.084 0.000 1.063 354 Q HN 0.230 nan 8.270 nan 0.000 0.516 355 M N -0.573 118.703 119.600 -0.540 0.000 2.556 355 M HA 0.110 4.590 4.480 0.001 0.000 0.245 355 M C -0.272 175.740 176.300 -0.480 0.000 1.128 355 M CA 0.191 55.132 55.300 -0.599 0.000 1.069 355 M CB -0.257 31.730 32.600 -1.022 0.000 1.469 355 M HN 0.201 nan 8.290 nan 0.000 0.494 356 W N 1.766 122.821 121.300 -0.407 0.000 2.181 356 W HA 0.136 4.796 4.660 0.000 0.000 0.335 356 W C 0.301 176.838 176.519 0.030 0.000 1.310 356 W CA -0.642 56.615 57.345 -0.146 0.000 1.226 356 W CB 0.557 29.949 29.460 -0.114 0.000 1.155 356 W HN -0.061 nan 8.180 nan 0.000 0.565 357 I N 3.609 124.463 120.570 0.472 0.000 2.312 357 I HA 0.093 4.263 4.170 0.001 0.000 0.291 357 I C 0.628 176.976 176.117 0.386 0.000 1.031 357 I CA -0.460 61.066 61.300 0.378 0.000 1.293 357 I CB -0.233 38.017 38.000 0.416 0.000 1.403 357 I HN 0.348 nan 8.210 nan 0.000 0.484 358 T N 3.508 118.187 114.554 0.208 0.000 2.913 358 T HA 0.252 4.602 4.350 0.001 0.000 0.287 358 T C 1.171 175.799 174.700 -0.121 0.000 1.008 358 T CA -0.818 61.337 62.100 0.093 0.000 1.067 358 T CB 2.102 70.992 68.868 0.036 0.000 0.996 358 T HN 0.441 nan 8.240 nan 0.000 0.513 359 K N 0.642 120.902 120.400 -0.233 0.000 2.113 359 K HA -0.204 4.116 4.320 0.001 0.000 0.208 359 K C 2.104 178.531 176.600 -0.289 0.000 1.047 359 K CA 1.656 57.614 56.287 -0.549 0.000 0.928 359 K CB -0.212 32.152 32.500 -0.227 0.000 0.716 359 K HN 0.612 nan 8.250 nan 0.000 0.446 360 Q N 0.637 120.351 119.800 -0.143 0.000 2.030 360 Q HA -0.151 4.189 4.340 0.001 0.000 0.204 360 Q C 1.933 177.885 176.000 -0.080 0.000 0.986 360 Q CA 1.821 57.571 55.803 -0.088 0.000 0.843 360 Q CB -0.147 28.560 28.738 -0.052 0.000 0.904 360 Q HN 0.393 nan 8.270 nan 0.000 0.420 361 E N -0.889 119.277 120.200 -0.056 0.000 2.118 361 E HA -0.227 4.124 4.350 0.001 0.000 0.195 361 E C 1.726 178.311 176.600 -0.024 0.000 0.992 361 E CA 1.136 57.526 56.400 -0.018 0.000 0.804 361 E CB -0.216 29.506 29.700 0.036 0.000 0.741 361 E HN 0.402 nan 8.360 nan 0.000 0.458 362 Y N 1.838 121.998 120.300 -0.233 0.000 2.242 362 Y HA -0.171 4.380 4.550 0.000 0.000 0.291 362 Y C 1.653 177.442 175.900 -0.185 0.000 1.137 362 Y CA 1.464 59.414 58.100 -0.249 0.000 1.181 362 Y CB 0.088 38.176 38.460 -0.620 0.000 0.989 362 Y HN -0.080 nan 8.280 nan 0.000 0.527 363 D N 0.013 120.286 120.400 -0.212 0.000 2.219 363 D HA -0.112 4.528 4.640 0.001 0.000 0.205 363 D C 1.778 177.963 176.300 -0.191 0.000 0.970 363 D CA 1.320 55.189 54.000 -0.217 0.000 0.851 363 D CB 0.045 40.778 40.800 -0.112 0.000 0.943 363 D HN 0.598 nan 8.370 nan 0.000 0.488 364 E N 0.197 120.309 120.200 -0.148 0.000 2.030 364 E HA 0.068 4.418 4.350 0.001 0.000 0.189 364 E C 2.004 178.533 176.600 -0.117 0.000 0.974 364 E CA 0.759 57.095 56.400 -0.107 0.000 0.807 364 E CB 0.062 29.721 29.700 -0.068 0.000 0.771 364 E HN 0.124 nan 8.360 nan 0.000 0.451 365 A N 0.838 123.588 122.820 -0.117 0.000 1.850 365 A HA 0.384 4.704 4.320 0.001 0.000 0.212 365 A C 1.184 178.680 177.584 -0.147 0.000 1.208 365 A CA 1.361 53.341 52.037 -0.095 0.000 0.609 365 A CB -0.287 18.687 19.000 -0.043 0.000 0.860 365 A HN 0.361 nan 8.150 nan 0.000 0.448 366 G N -2.688 105.963 108.800 -0.248 0.000 2.354 366 G HA2 0.138 4.098 3.960 0.001 0.000 0.582 366 G HA3 0.138 4.098 3.960 0.001 0.000 0.582 366 G C -2.386 172.415 174.900 -0.166 0.000 1.316 366 G CA -0.163 44.736 45.100 -0.335 0.000 0.995 366 G HN 0.051 nan 8.290 nan 0.000 0.573 367 P HA -0.057 nan 4.420 nan 0.000 0.220 367 P C 1.526 178.944 177.300 0.197 0.000 1.144 367 P CA 1.879 65.178 63.100 0.332 0.000 0.800 367 P CB -0.087 31.757 31.700 0.240 0.000 0.772 368 S N -0.531 115.227 115.700 0.096 0.000 2.561 368 S HA 0.002 4.473 4.470 0.001 0.000 0.225 368 S C 1.188 175.837 174.600 0.082 0.000 0.977 368 S CA -0.158 58.085 58.200 0.073 0.000 0.926 368 S CB -0.795 62.427 63.200 0.036 0.000 0.769 368 S HN 0.157 nan 8.310 nan 0.000 0.533 369 I N 0.000 120.637 120.570 0.111 0.000 2.984 369 I HA 0.000 4.170 4.170 0.001 0.000 0.288 369 I CA 0.000 61.368 61.300 0.114 0.000 1.566 369 I CB 0.000 38.071 38.000 0.118 0.000 1.214 369 I HN 0.000 nan 8.210 nan 0.000 0.494