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 3a13_1_H DATA FIRST_RESID 7 DATA SEQUENCE TIYDYYVDKG YEPSKKRDII AVFRVTPAEG YTIEQAAGAV AAESSTGTWT DATA SEQUENCE TLYPWYEQER WADLSAKAYD FHDMGDGSWI VRIAYPFHAF EEANLPGLLA DATA SEQUENCE SIAGNIFGMK RVKGLRLEDL YFPEKLIREF DGPAFGIEGV RKMLEIKDRP DATA SEQUENCE IYGVVPKPKV GYSPEEFEKL AYDLLSNGAD YMXDDENLTS PWYNRFEERA DATA SEQUENCE EIMAKIIDKV ENETGEKKTW FANITADLLE MEQRLEVLAD LGLKHAMVDV DATA SEQUENCE VITGWGALRY IRDLAADYGL AIHGHRAMHA AFTRNPYHGI SMFVLAKLYR DATA SEQUENCE LIGIDQLHVG TAGAGKLEGE RDITIQNARI LRESHYKPDE NDVFHLEQKF DATA SEQUENCE YSIKAAFPTS SGGLHPGNIQ PVIEALGTDI VLQLGGGTLG HPDGPAAGAR DATA SEQUENCE AVRQAIDAIM QGIPLDEYAK THKELARALE KWGHVTPV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.778 174.700 0.130 0.000 1.109 7 T CA 0.000 62.166 62.100 0.109 0.000 1.349 7 T CB 0.000 68.906 68.868 0.064 0.000 0.612 8 I N 0.683 121.283 120.570 0.050 0.000 2.208 8 I HA 0.090 4.260 4.170 -0.001 0.000 0.245 8 I C 2.497 178.753 176.117 0.232 0.000 1.097 8 I CA 2.638 63.956 61.300 0.031 0.000 1.363 8 I CB -1.768 36.128 38.000 -0.173 0.000 1.051 8 I HN 0.651 nan 8.210 nan 0.000 0.413 9 Y N 1.295 121.743 120.300 0.247 0.000 2.475 9 Y HA 0.149 4.699 4.550 -0.001 0.000 0.289 9 Y C 2.746 178.846 175.900 0.333 0.000 1.121 9 Y CA 0.424 58.700 58.100 0.293 0.000 1.257 9 Y CB -1.384 37.172 38.460 0.161 0.000 1.026 9 Y HN 0.607 nan 8.280 nan 0.000 0.555 10 D N -1.123 119.506 120.400 0.382 0.000 2.310 10 D HA -0.229 4.411 4.640 -0.001 0.000 0.212 10 D C 1.779 178.217 176.300 0.232 0.000 0.965 10 D CA 0.859 55.012 54.000 0.256 0.000 0.879 10 D CB -1.002 39.898 40.800 0.167 0.000 0.921 10 D HN 0.525 nan 8.370 nan 0.000 0.510 11 Y N -0.460 119.921 120.300 0.135 0.000 2.293 11 Y HA -0.088 4.461 4.550 -0.001 0.000 0.291 11 Y C 1.450 177.250 175.900 -0.167 0.000 1.137 11 Y CA 1.365 59.431 58.100 -0.056 0.000 1.202 11 Y CB -0.085 38.285 38.460 -0.150 0.000 0.990 11 Y HN 0.335 nan 8.280 nan 0.000 0.537 12 Y N -0.582 119.798 120.300 0.134 0.000 2.529 12 Y HA 0.170 4.720 4.550 -0.001 0.000 0.290 12 Y C 0.348 176.220 175.900 -0.047 0.000 1.177 12 Y CA -0.274 57.824 58.100 -0.002 0.000 1.305 12 Y CB -0.075 38.426 38.460 0.068 0.000 1.047 12 Y HN -0.219 nan 8.280 nan 0.000 0.522 13 V N 1.255 121.226 119.914 0.095 0.000 2.465 13 V HA 0.219 4.339 4.120 -0.001 0.000 0.279 13 V C -0.482 175.624 176.094 0.019 0.000 1.045 13 V CA -0.412 61.951 62.300 0.104 0.000 0.938 13 V CB 1.486 33.373 31.823 0.108 0.000 0.986 13 V HN 0.092 nan 8.190 nan 0.000 0.467 14 D N 3.253 123.706 120.400 0.088 0.000 2.584 14 D HA 0.204 4.843 4.640 -0.001 0.000 0.238 14 D C 0.613 177.030 176.300 0.195 0.000 1.302 14 D CA -0.464 53.578 54.000 0.069 0.000 0.884 14 D CB 0.950 41.742 40.800 -0.014 0.000 1.456 14 D HN 0.502 nan 8.370 nan 0.000 0.528 15 K N 0.350 120.853 120.400 0.171 0.000 2.555 15 K HA 0.136 4.456 4.320 -0.001 0.000 0.193 15 K C 1.615 178.326 176.600 0.184 0.000 1.032 15 K CA 0.543 56.962 56.287 0.219 0.000 1.004 15 K CB 0.595 33.166 32.500 0.118 0.000 0.804 15 K HN 0.275 nan 8.250 nan 0.000 0.496 16 G N 0.356 109.241 108.800 0.141 0.000 2.744 16 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.211 16 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.211 16 G C -0.047 174.912 174.900 0.099 0.000 1.146 16 G CA -0.277 44.882 45.100 0.098 0.000 0.787 16 G HN 0.235 nan 8.290 nan 0.000 0.534 17 Y N 1.585 121.899 120.300 0.022 0.000 2.442 17 Y HA 0.426 4.976 4.550 -0.001 0.000 0.330 17 Y C -0.157 175.672 175.900 -0.118 0.000 1.129 17 Y CA -0.655 57.415 58.100 -0.050 0.000 1.365 17 Y CB 0.820 39.239 38.460 -0.068 0.000 1.233 17 Y HN 0.022 nan 8.280 nan 0.000 0.529 18 E N 8.479 128.228 120.200 -0.752 0.000 2.145 18 E HA 0.384 4.734 4.350 -0.001 0.000 0.270 18 E C -2.614 173.424 176.600 -0.937 0.000 0.906 18 E CA -2.697 53.330 56.400 -0.623 0.000 0.761 18 E CB 0.907 30.402 29.700 -0.342 0.000 1.116 18 E HN 0.380 nan 8.360 nan 0.000 0.408 19 P HA 0.033 nan 4.420 nan 0.000 0.271 19 P C -0.659 176.510 177.300 -0.218 0.000 1.218 19 P CA -0.377 62.503 63.100 -0.367 0.000 0.780 19 P CB 1.234 32.732 31.700 -0.337 0.000 0.901 20 S N 1.939 117.608 115.700 -0.052 0.000 2.430 20 S HA 0.127 4.597 4.470 -0.001 0.000 0.289 20 S C 1.210 175.866 174.600 0.093 0.000 1.143 20 S CA -0.598 57.610 58.200 0.012 0.000 1.067 20 S CB -0.036 63.205 63.200 0.068 0.000 0.964 20 S HN 0.269 nan 8.310 nan 0.000 0.485 21 K N 3.177 123.614 120.400 0.061 0.000 2.113 21 K HA -0.092 4.228 4.320 -0.001 0.000 0.208 21 K C 1.319 178.072 176.600 0.255 0.000 1.047 21 K CA 1.199 57.562 56.287 0.127 0.000 0.928 21 K CB -0.022 32.528 32.500 0.084 0.000 0.716 21 K HN 0.509 nan 8.250 nan 0.000 0.446 22 K N 0.154 120.660 120.400 0.178 0.000 2.379 22 K HA 0.050 4.370 4.320 -0.001 0.000 0.194 22 K C 1.583 178.294 176.600 0.184 0.000 1.031 22 K CA 0.626 57.003 56.287 0.150 0.000 1.037 22 K CB 0.429 32.982 32.500 0.089 0.000 0.824 22 K HN 0.165 nan 8.250 nan 0.000 0.516 23 R N -0.016 120.648 120.500 0.273 0.000 2.453 23 R HA 0.134 4.474 4.340 -0.001 0.000 0.233 23 R C -0.361 176.221 176.300 0.470 0.000 0.895 23 R CA -0.089 56.276 56.100 0.442 0.000 1.028 23 R CB 0.808 31.316 30.300 0.347 0.000 1.255 23 R HN -0.015 nan 8.270 nan 0.000 0.571 24 D N 1.083 121.711 120.400 0.381 0.000 2.193 24 D HA 0.274 4.914 4.640 -0.001 0.000 0.244 24 D C -0.307 176.275 176.300 0.470 0.000 1.064 24 D CA -0.315 53.916 54.000 0.386 0.000 0.845 24 D CB 1.814 42.801 40.800 0.311 0.000 1.148 24 D HN -0.051 nan 8.370 nan 0.000 0.464 25 I N 2.509 123.355 120.570 0.460 0.000 2.529 25 I HA 0.181 4.350 4.170 -0.001 0.000 0.284 25 I C 0.296 176.742 176.117 0.548 0.000 1.082 25 I CA -0.111 61.468 61.300 0.465 0.000 1.406 25 I CB 0.679 38.877 38.000 0.331 0.000 1.405 25 I HN 0.118 nan 8.210 nan 0.000 0.548 26 I N 6.100 126.998 120.570 0.548 0.000 2.418 26 I HA 0.465 4.635 4.170 -0.001 0.000 0.287 26 I C -0.008 176.299 176.117 0.316 0.000 1.008 26 I CA -0.485 61.091 61.300 0.459 0.000 1.104 26 I CB 1.717 39.945 38.000 0.380 0.000 1.264 26 I HN 0.571 nan 8.210 nan 0.000 0.438 27 A N 6.601 129.595 122.820 0.291 0.000 2.274 27 A HA 0.710 5.029 4.320 -0.001 0.000 0.309 27 A C -0.465 177.010 177.584 -0.181 0.000 1.226 27 A CA -0.445 51.569 52.037 -0.038 0.000 0.853 27 A CB 0.807 19.779 19.000 -0.045 0.000 1.146 27 A HN 0.468 nan 8.150 nan 0.000 0.518 28 V N 3.501 123.232 119.914 -0.305 0.000 2.328 28 V HA 0.416 4.536 4.120 -0.001 0.000 0.278 28 V C -0.925 174.965 176.094 -0.339 0.000 1.021 28 V CA -0.093 62.079 62.300 -0.213 0.000 0.838 28 V CB 0.125 31.902 31.823 -0.076 0.000 0.999 28 V HN 0.685 nan 8.190 nan 0.000 0.447 29 F N 3.222 123.183 119.950 0.018 0.000 2.480 29 F HA 0.601 5.128 4.527 -0.001 0.000 0.329 29 F C 0.504 176.343 175.800 0.066 0.000 1.091 29 F CA -0.839 57.182 58.000 0.034 0.000 0.972 29 F CB 1.686 40.679 39.000 -0.011 0.000 1.150 29 F HN 0.309 nan 8.300 nan 0.000 0.467 30 R N 2.536 123.221 120.500 0.309 0.000 2.205 30 R HA 0.600 4.940 4.340 -0.001 0.000 0.342 30 R C -1.705 174.774 176.300 0.298 0.000 1.058 30 R CA -0.236 56.031 56.100 0.278 0.000 0.904 30 R CB 0.413 30.857 30.300 0.241 0.000 1.089 30 R HN 0.549 nan 8.270 nan 0.000 0.471 31 V N 3.985 124.070 119.914 0.285 0.000 2.398 31 V HA 0.348 4.468 4.120 -0.001 0.000 0.286 31 V C -0.177 176.099 176.094 0.304 0.000 1.026 31 V CA -0.610 61.833 62.300 0.237 0.000 0.868 31 V CB 1.963 33.867 31.823 0.136 0.000 0.982 31 V HN 0.751 nan 8.190 nan 0.000 0.443 32 T N 7.165 121.875 114.554 0.260 0.000 2.842 32 T HA 0.398 4.748 4.350 -0.001 0.000 0.308 32 T C -2.686 172.116 174.700 0.171 0.000 1.041 32 T CA -1.231 61.017 62.100 0.247 0.000 0.964 32 T CB 1.581 70.575 68.868 0.210 0.000 0.972 32 T HN 0.402 nan 8.240 nan 0.000 0.460 33 P HA 0.303 nan 4.420 nan 0.000 0.269 33 P C -0.397 176.979 177.300 0.127 0.000 1.209 33 P CA -0.391 62.784 63.100 0.125 0.000 0.776 33 P CB 0.437 32.229 31.700 0.153 0.000 0.876 34 A N 1.871 124.751 122.820 0.100 0.000 2.366 34 A HA 0.167 4.487 4.320 -0.001 0.000 0.249 34 A C 0.403 178.141 177.584 0.257 0.000 1.084 34 A CA -0.077 52.039 52.037 0.132 0.000 0.794 34 A CB -0.344 18.689 19.000 0.055 0.000 1.034 34 A HN 0.477 nan 8.150 nan 0.000 0.491 35 E N -0.053 120.263 120.200 0.193 0.000 2.417 35 E HA 0.381 4.730 4.350 -0.001 0.000 0.261 35 E C 1.121 177.812 176.600 0.151 0.000 1.000 35 E CA 1.665 58.154 56.400 0.147 0.000 0.919 35 E CB 0.041 29.794 29.700 0.087 0.000 0.955 35 E HN 1.519 nan 8.360 nan 0.000 0.455 36 G N 3.083 111.911 108.800 0.047 0.000 2.157 36 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.239 36 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.239 36 G C -0.514 174.167 174.900 -0.365 0.000 0.982 36 G CA 0.125 45.131 45.100 -0.157 0.000 0.650 36 G HN 0.426 nan 8.290 nan 0.000 0.527 37 Y N 0.901 121.222 120.300 0.036 0.000 2.462 37 Y HA 0.611 5.160 4.550 -0.001 0.000 0.346 37 Y C 0.994 176.905 175.900 0.017 0.000 0.976 37 Y CA -0.221 57.897 58.100 0.030 0.000 1.044 37 Y CB 1.793 40.273 38.460 0.033 0.000 1.230 37 Y HN 0.281 nan 8.280 nan 0.000 0.455 38 T N -0.951 113.683 114.554 0.133 0.000 2.868 38 T HA 0.143 4.493 4.350 -0.001 0.000 0.292 38 T C 1.047 175.724 174.700 -0.039 0.000 1.028 38 T CA -0.524 61.589 62.100 0.022 0.000 1.059 38 T CB 0.938 69.785 68.868 -0.035 0.000 0.991 38 T HN 0.661 nan 8.240 nan 0.000 0.531 39 I N 0.958 121.386 120.570 -0.237 0.000 2.264 39 I HA -0.114 4.055 4.170 -0.001 0.000 0.248 39 I C 2.164 178.189 176.117 -0.152 0.000 1.111 39 I CA 1.686 62.753 61.300 -0.388 0.000 1.382 39 I CB -0.607 36.654 38.000 -1.231 0.000 1.060 39 I HN 0.802 nan 8.210 nan 0.000 0.418 40 E N 0.131 120.207 120.200 -0.208 0.000 2.077 40 E HA -0.258 4.091 4.350 -0.001 0.000 0.193 40 E C 2.245 178.860 176.600 0.025 0.000 0.989 40 E CA 1.518 57.856 56.400 -0.103 0.000 0.800 40 E CB -0.312 29.262 29.700 -0.211 0.000 0.746 40 E HN 0.613 nan 8.360 nan 0.000 0.452 41 Q N -0.413 119.411 119.800 0.040 0.000 2.167 41 Q HA -0.053 4.287 4.340 -0.001 0.000 0.202 41 Q C 2.055 178.083 176.000 0.047 0.000 0.970 41 Q CA 1.247 57.120 55.803 0.116 0.000 0.855 41 Q CB -0.066 28.808 28.738 0.225 0.000 0.911 41 Q HN 0.310 nan 8.270 nan 0.000 0.438 42 A N 0.809 123.629 122.820 0.000 0.000 1.843 42 A HA -0.009 4.311 4.320 -0.001 0.000 0.213 42 A C 2.283 179.793 177.584 -0.123 0.000 1.202 42 A CA 1.257 53.244 52.037 -0.085 0.000 0.607 42 A CB -0.924 18.046 19.000 -0.050 0.000 0.847 42 A HN 0.373 nan 8.150 nan 0.000 0.445 43 A N -0.292 122.497 122.820 -0.050 0.000 1.917 43 A HA 0.024 4.343 4.320 -0.001 0.000 0.219 43 A C 2.406 179.948 177.584 -0.070 0.000 1.182 43 A CA 2.195 54.193 52.037 -0.065 0.000 0.633 43 A CB -1.502 17.524 19.000 0.044 0.000 0.819 43 A HN 0.788 nan 8.150 nan 0.000 0.448 44 G N -0.574 108.230 108.800 0.007 0.000 2.446 44 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.217 44 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.217 44 G C 1.783 176.569 174.900 -0.191 0.000 1.168 44 G CA 1.630 46.758 45.100 0.046 0.000 0.771 44 G HN 0.872 nan 8.290 nan 0.000 0.551 45 A N -0.017 122.543 122.820 -0.435 0.000 1.908 45 A HA 0.051 4.370 4.320 -0.001 0.000 0.218 45 A C 2.631 179.827 177.584 -0.646 0.000 1.181 45 A CA 1.963 53.400 52.037 -1.000 0.000 0.627 45 A CB -0.660 17.815 19.000 -0.874 0.000 0.818 45 A HN 0.280 nan 8.150 nan 0.000 0.445 46 V N -0.226 119.420 119.914 -0.447 0.000 2.295 46 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 46 V C 3.073 178.965 176.094 -0.337 0.000 1.049 46 V CA 1.963 64.004 62.300 -0.432 0.000 1.024 46 V CB -1.261 30.243 31.823 -0.533 0.000 0.648 46 V HN 0.618 nan 8.190 nan 0.000 0.447 47 A N -0.103 122.555 122.820 -0.270 0.000 1.940 47 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 47 A C 2.402 179.753 177.584 -0.388 0.000 1.176 47 A CA 2.198 54.115 52.037 -0.200 0.000 0.631 47 A CB -0.747 18.201 19.000 -0.086 0.000 0.814 47 A HN 0.575 nan 8.150 nan 0.000 0.446 48 A N -0.518 121.885 122.820 -0.696 0.000 1.855 48 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 48 A C 1.914 179.234 177.584 -0.440 0.000 1.191 48 A CA 1.559 52.936 52.037 -1.101 0.000 0.613 48 A CB -0.387 18.154 19.000 -0.765 0.000 0.829 48 A HN 0.440 nan 8.150 nan 0.000 0.442 49 E N 0.405 120.426 120.200 -0.298 0.000 2.358 49 E HA -0.058 4.292 4.350 -0.001 0.000 0.195 49 E C 1.807 178.362 176.600 -0.076 0.000 1.010 49 E CA 1.041 57.361 56.400 -0.133 0.000 0.856 49 E CB -0.161 29.457 29.700 -0.136 0.000 0.795 49 E HN 0.718 nan 8.360 nan 0.000 0.504 50 S N -0.598 115.065 115.700 -0.061 0.000 2.605 50 S HA 0.104 4.573 4.470 -0.001 0.000 0.217 50 S C 1.375 176.085 174.600 0.183 0.000 0.958 50 S CA 0.383 58.624 58.200 0.070 0.000 0.919 50 S CB 0.199 63.482 63.200 0.138 0.000 0.780 50 S HN 0.163 nan 8.310 nan 0.000 0.507 51 S N 1.508 117.261 115.700 0.088 0.000 4.167 51 S HA 0.173 4.642 4.470 -0.001 0.000 0.168 51 S C 1.335 175.955 174.600 0.033 0.000 1.032 51 S CA 0.519 58.772 58.200 0.087 0.000 1.146 51 S CB -0.255 63.017 63.200 0.120 0.000 1.888 51 S HN 0.462 nan 8.310 nan 0.000 0.844 52 T N -0.633 113.960 114.554 0.064 0.000 3.023 52 T HA 0.535 4.885 4.350 -0.001 0.000 0.253 52 T C 0.838 175.723 174.700 0.308 0.000 1.038 52 T CA 0.388 62.583 62.100 0.158 0.000 0.962 52 T CB 0.074 68.964 68.868 0.038 0.000 1.018 52 T HN 0.793 nan 8.240 nan 0.000 0.521 53 G N -0.218 108.702 108.800 0.200 0.000 2.820 53 G HA2 0.625 4.585 3.960 -0.001 0.000 0.291 53 G HA3 0.625 4.585 3.960 -0.001 0.000 0.291 53 G C -1.033 173.974 174.900 0.178 0.000 1.323 53 G CA -0.421 44.839 45.100 0.267 0.000 1.055 53 G HN 0.295 nan 8.290 nan 0.000 0.520 54 T N -2.001 112.663 114.554 0.183 0.000 2.626 54 T HA 0.365 4.714 4.350 -0.001 0.000 0.299 54 T C -0.001 174.745 174.700 0.076 0.000 1.181 54 T CA -0.159 62.050 62.100 0.181 0.000 1.053 54 T CB 0.611 69.521 68.868 0.071 0.000 1.566 54 T HN 0.704 nan 8.240 nan 0.000 0.486 55 W N 0.719 122.017 121.300 -0.004 0.000 2.770 55 W HA 0.289 4.948 4.660 -0.001 0.000 0.256 55 W C 0.580 176.962 176.519 -0.229 0.000 1.291 55 W CA 0.773 58.014 57.345 -0.172 0.000 1.396 55 W CB -1.070 28.390 29.460 -0.000 0.000 1.114 55 W HN 0.584 nan 8.180 nan 0.000 0.637 56 T N 1.240 115.288 114.554 -0.843 0.000 2.644 56 T HA 0.454 4.804 4.350 -0.001 0.000 0.253 56 T C -0.010 174.432 174.700 -0.429 0.000 0.910 56 T CA 0.487 62.143 62.100 -0.740 0.000 1.066 56 T CB 1.192 69.310 68.868 -1.249 0.000 1.484 56 T HN -0.035 nan 8.240 nan 0.000 0.560 57 T N 1.145 115.496 114.554 -0.338 0.000 2.925 57 T HA 0.741 5.090 4.350 -0.001 0.000 0.285 57 T C -0.881 173.700 174.700 -0.198 0.000 1.021 57 T CA -0.919 61.050 62.100 -0.218 0.000 1.042 57 T CB 0.968 69.743 68.868 -0.154 0.000 1.037 57 T HN 0.324 nan 8.240 nan 0.000 0.481 58 L N 1.078 122.219 121.223 -0.137 0.000 2.319 58 L HA 0.516 4.856 4.340 -0.001 0.000 0.267 58 L C 0.692 177.560 176.870 -0.003 0.000 1.011 58 L CA -1.275 53.534 54.840 -0.052 0.000 0.818 58 L CB 0.357 42.434 42.059 0.031 0.000 1.316 58 L HN 1.049 nan 8.230 nan 0.000 0.432 59 Y N 1.012 121.350 120.300 0.064 0.000 2.425 59 Y HA 0.407 4.956 4.550 -0.001 0.000 0.331 59 Y C -1.782 174.230 175.900 0.187 0.000 1.157 59 Y CA -2.253 55.894 58.100 0.078 0.000 1.372 59 Y CB -0.568 37.927 38.460 0.059 0.000 1.253 59 Y HN 0.475 nan 8.280 nan 0.000 0.536 60 P HA 0.040 nan 4.420 nan 0.000 0.260 60 P C 0.258 177.458 177.300 -0.166 0.000 1.651 60 P CA 0.242 63.157 63.100 -0.308 0.000 1.139 60 P CB -0.517 30.984 31.700 -0.333 0.000 1.756 61 W N 4.075 125.274 121.300 -0.167 0.000 2.991 61 W HA 0.227 4.886 4.660 -0.001 0.000 0.391 61 W C -1.093 175.451 176.519 0.042 0.000 1.054 61 W CA -0.764 56.568 57.345 -0.023 0.000 1.856 61 W CB -1.035 28.463 29.460 0.063 0.000 1.132 61 W HN 0.169 nan 8.180 nan 0.000 0.601 62 Y N -1.385 118.583 120.300 -0.554 0.000 2.597 62 Y HA 0.568 5.118 4.550 -0.001 0.000 0.340 62 Y C -0.407 175.281 175.900 -0.353 0.000 1.097 62 Y CA -2.178 55.545 58.100 -0.628 0.000 1.037 62 Y CB 0.403 38.197 38.460 -1.111 0.000 1.305 62 Y HN -0.059 nan 8.280 nan 0.000 0.463 63 E N 1.725 121.853 120.200 -0.120 0.000 2.351 63 E HA -0.028 4.322 4.350 -0.001 0.000 0.266 63 E C 0.356 176.955 176.600 -0.001 0.000 1.031 63 E CA 0.035 56.380 56.400 -0.092 0.000 0.911 63 E CB 1.219 30.902 29.700 -0.028 0.000 0.986 63 E HN 0.830 nan 8.360 nan 0.000 0.446 64 Q N 3.441 123.176 119.800 -0.108 0.000 2.119 64 Q HA -0.206 4.133 4.340 -0.001 0.000 0.201 64 Q C 1.491 177.611 176.000 0.199 0.000 0.972 64 Q CA 1.861 57.665 55.803 0.001 0.000 0.847 64 Q CB 0.238 28.908 28.738 -0.113 0.000 0.903 64 Q HN 0.630 nan 8.270 nan 0.000 0.433 65 E N 0.025 120.285 120.200 0.100 0.000 2.072 65 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 65 E C 1.903 178.565 176.600 0.103 0.000 0.985 65 E CA 1.053 57.511 56.400 0.097 0.000 0.801 65 E CB -0.509 29.218 29.700 0.044 0.000 0.750 65 E HN 0.366 nan 8.360 nan 0.000 0.452 66 R N 0.193 120.754 120.500 0.102 0.000 2.073 66 R HA -0.157 4.183 4.340 -0.001 0.000 0.234 66 R C 2.194 178.547 176.300 0.089 0.000 1.134 66 R CA 1.683 57.827 56.100 0.074 0.000 0.952 66 R CB -0.500 29.832 30.300 0.053 0.000 0.850 66 R HN 0.297 nan 8.270 nan 0.000 0.433 67 W N 1.088 122.374 121.300 -0.023 0.000 2.315 67 W HA -0.280 4.379 4.660 -0.001 0.000 0.323 67 W C 2.052 178.551 176.519 -0.033 0.000 1.233 67 W CA 2.644 59.962 57.345 -0.045 0.000 1.267 67 W CB -0.630 28.844 29.460 0.025 0.000 1.160 67 W HN 0.208 nan 8.180 nan 0.000 0.474 68 A N -0.263 122.530 122.820 -0.045 0.000 1.972 68 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 68 A C 1.668 179.105 177.584 -0.244 0.000 1.169 68 A CA 2.230 54.069 52.037 -0.331 0.000 0.635 68 A CB -1.291 17.755 19.000 0.077 0.000 0.810 68 A HN 0.502 nan 8.150 nan 0.000 0.446 69 D N -0.375 119.952 120.400 -0.120 0.000 2.219 69 D HA -0.074 4.566 4.640 -0.001 0.000 0.205 69 D C 1.493 177.675 176.300 -0.196 0.000 0.970 69 D CA 0.960 54.904 54.000 -0.092 0.000 0.851 69 D CB -0.138 40.663 40.800 0.002 0.000 0.943 69 D HN 0.444 nan 8.370 nan 0.000 0.488 70 L N -0.230 120.824 121.223 -0.283 0.000 2.607 70 L HA 0.233 4.572 4.340 -0.001 0.000 0.228 70 L C 0.547 177.212 176.870 -0.341 0.000 1.123 70 L CA -0.227 54.391 54.840 -0.371 0.000 0.890 70 L CB 0.203 42.059 42.059 -0.340 0.000 1.103 70 L HN -0.139 nan 8.230 nan 0.000 0.468 71 S N 0.905 116.382 115.700 -0.370 0.000 2.565 71 S HA 0.524 4.993 4.470 -0.001 0.000 0.276 71 S C 0.519 174.992 174.600 -0.213 0.000 1.326 71 S CA -0.656 57.380 58.200 -0.274 0.000 1.045 71 S CB 1.477 64.423 63.200 -0.424 0.000 0.918 71 S HN 0.274 nan 8.310 nan 0.000 0.505 72 A N 3.423 126.170 122.820 -0.123 0.000 2.346 72 A HA 0.494 4.813 4.320 -0.001 0.000 0.252 72 A C -0.057 177.368 177.584 -0.265 0.000 1.089 72 A CA -0.341 51.474 52.037 -0.369 0.000 0.797 72 A CB 0.301 18.848 19.000 -0.755 0.000 1.047 72 A HN 0.777 nan 8.150 nan 0.000 0.494 73 K N 0.562 120.747 120.400 -0.359 0.000 2.545 73 K HA 0.521 4.841 4.320 -0.001 0.000 0.252 73 K C -0.876 175.701 176.600 -0.039 0.000 0.948 73 K CA -0.380 55.768 56.287 -0.231 0.000 0.827 73 K CB 2.157 34.382 32.500 -0.458 0.000 1.128 73 K HN 0.749 nan 8.250 nan 0.000 0.429 74 A N 3.075 125.903 122.820 0.013 0.000 2.347 74 A HA 0.253 4.573 4.320 -0.001 0.000 0.287 74 A C -0.059 177.616 177.584 0.153 0.000 1.199 74 A CA -0.076 51.960 52.037 -0.002 0.000 0.851 74 A CB -0.521 18.468 19.000 -0.019 0.000 1.118 74 A HN 0.941 nan 8.150 nan 0.000 0.525 75 Y N 0.116 120.443 120.300 0.045 0.000 2.448 75 Y HA 0.504 5.053 4.550 -0.001 0.000 0.257 75 Y C -0.150 175.865 175.900 0.191 0.000 1.089 75 Y CA -0.430 57.772 58.100 0.170 0.000 1.245 75 Y CB 0.256 38.839 38.460 0.204 0.000 1.282 75 Y HN 0.465 nan 8.280 nan 0.000 0.529 76 D N 0.527 120.601 120.400 -0.543 0.000 2.787 76 D HA 0.487 5.126 4.640 -0.001 0.000 0.246 76 D C -1.878 174.251 176.300 -0.285 0.000 1.150 76 D CA -0.327 53.516 54.000 -0.262 0.000 0.864 76 D CB 1.385 41.925 40.800 -0.433 0.000 1.481 76 D HN 0.059 nan 8.370 nan 0.000 0.509 77 F N 2.114 122.086 119.950 0.036 0.000 2.536 77 F HA 0.341 4.868 4.527 -0.001 0.000 0.322 77 F C -0.626 175.373 175.800 0.331 0.000 1.144 77 F CA -0.955 57.146 58.000 0.169 0.000 0.924 77 F CB 1.906 40.964 39.000 0.097 0.000 1.181 77 F HN 0.362 nan 8.300 nan 0.000 0.438 78 H N 2.175 121.483 119.070 0.397 0.000 2.823 78 H HA 0.260 4.815 4.556 -0.001 0.000 0.332 78 H C -1.219 174.171 175.328 0.103 0.000 0.980 78 H CA -0.730 55.448 56.048 0.217 0.000 1.286 78 H CB 1.134 30.915 29.762 0.032 0.000 1.541 78 H HN 0.474 nan 8.280 nan 0.000 0.521 79 D N 5.151 125.143 120.400 -0.680 0.000 2.371 79 D HA -0.011 4.628 4.640 -0.001 0.000 0.256 79 D C 0.842 176.569 176.300 -0.955 0.000 1.193 79 D CA -0.101 53.166 54.000 -1.221 0.000 0.881 79 D CB 0.887 40.940 40.800 -1.245 0.000 1.143 79 D HN 0.612 nan 8.370 nan 0.000 0.473 80 M N 2.011 121.223 119.600 -0.647 0.000 2.506 80 M HA 0.096 4.575 4.480 -0.001 0.000 0.260 80 M C 1.544 177.685 176.300 -0.265 0.000 1.104 80 M CA 0.574 55.671 55.300 -0.338 0.000 1.112 80 M CB -0.597 31.942 32.600 -0.102 0.000 1.401 80 M HN 0.720 nan 8.290 nan 0.000 0.473 81 G N 1.649 110.235 108.800 -0.357 0.000 2.176 81 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.253 81 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.253 81 G C 0.100 174.924 174.900 -0.128 0.000 0.979 81 G CA 0.635 45.592 45.100 -0.240 0.000 0.641 81 G HN 0.572 nan 8.290 nan 0.000 0.530 82 D N -1.182 119.166 120.400 -0.087 0.000 2.501 82 D HA 0.455 5.095 4.640 -0.001 0.000 0.224 82 D C 1.612 177.910 176.300 -0.004 0.000 1.202 82 D CA 0.474 54.470 54.000 -0.007 0.000 0.829 82 D CB -0.200 40.652 40.800 0.087 0.000 1.023 82 D HN 1.474 nan 8.370 nan 0.000 0.499 83 G N 0.001 108.784 108.800 -0.027 0.000 2.194 83 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.236 83 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.236 83 G C 0.276 175.257 174.900 0.135 0.000 0.987 83 G CA 0.214 45.343 45.100 0.048 0.000 0.635 83 G HN 0.980 nan 8.290 nan 0.000 0.520 84 S N -0.888 114.871 115.700 0.099 0.000 2.566 84 S HA 0.828 5.298 4.470 -0.001 0.000 0.298 84 S C -0.866 173.783 174.600 0.082 0.000 1.083 84 S CA -0.718 57.627 58.200 0.243 0.000 0.978 84 S CB 2.011 65.441 63.200 0.382 0.000 1.073 84 S HN 0.622 nan 8.310 nan 0.000 0.491 85 W N 1.034 122.407 121.300 0.121 0.000 2.761 85 W HA 0.599 5.258 4.660 -0.001 0.000 0.340 85 W C -0.611 175.959 176.519 0.085 0.000 1.072 85 W CA -1.133 56.264 57.345 0.086 0.000 1.215 85 W CB 1.072 30.604 29.460 0.119 0.000 1.420 85 W HN 0.464 nan 8.180 nan 0.000 0.519 86 I N 3.606 124.347 120.570 0.285 0.000 2.325 86 I HA 0.285 4.454 4.170 -0.001 0.000 0.291 86 I C -0.283 175.884 176.117 0.082 0.000 1.019 86 I CA -0.870 60.531 61.300 0.169 0.000 1.302 86 I CB 0.278 38.328 38.000 0.083 0.000 1.401 86 I HN 0.067 nan 8.210 nan 0.000 0.485 87 V N 7.664 127.569 119.914 -0.015 0.000 2.487 87 V HA 0.444 4.563 4.120 -0.001 0.000 0.298 87 V C 0.212 176.174 176.094 -0.219 0.000 1.028 87 V CA -0.897 61.237 62.300 -0.278 0.000 0.860 87 V CB 2.090 33.694 31.823 -0.367 0.000 0.991 87 V HN 0.641 nan 8.190 nan 0.000 0.427 88 R N 4.810 125.055 120.500 -0.426 0.000 2.312 88 R HA 0.732 5.072 4.340 -0.001 0.000 0.311 88 R C -0.989 175.079 176.300 -0.386 0.000 1.004 88 R CA -0.387 55.471 56.100 -0.404 0.000 0.902 88 R CB 1.462 31.386 30.300 -0.627 0.000 1.073 88 R HN 0.602 nan 8.270 nan 0.000 0.457 89 I N 1.681 122.267 120.570 0.027 0.000 2.498 89 I HA 0.453 4.623 4.170 -0.001 0.000 0.290 89 I C -0.344 175.909 176.117 0.226 0.000 1.032 89 I CA -0.980 60.384 61.300 0.107 0.000 1.073 89 I CB 2.160 40.233 38.000 0.121 0.000 1.251 89 I HN 0.606 nan 8.210 nan 0.000 0.426 90 A N 6.220 129.101 122.820 0.103 0.000 2.317 90 A HA 0.828 5.148 4.320 -0.001 0.000 0.327 90 A C -1.525 175.945 177.584 -0.191 0.000 1.178 90 A CA -0.314 51.796 52.037 0.121 0.000 0.817 90 A CB 0.665 19.718 19.000 0.087 0.000 1.189 90 A HN 0.649 nan 8.150 nan 0.000 0.489 91 Y N 2.126 122.524 120.300 0.163 0.000 2.406 91 Y HA 0.469 5.019 4.550 -0.001 0.000 0.340 91 Y C -2.290 173.687 175.900 0.129 0.000 0.975 91 Y CA -2.477 55.696 58.100 0.121 0.000 1.056 91 Y CB 2.305 40.947 38.460 0.304 0.000 1.210 91 Y HN 0.509 nan 8.280 nan 0.000 0.448 92 P HA -0.014 nan 4.420 nan 0.000 0.271 92 P C 0.548 177.878 177.300 0.050 0.000 1.216 92 P CA -0.196 62.923 63.100 0.032 0.000 0.771 92 P CB 0.597 32.181 31.700 -0.193 0.000 0.864 93 F N 3.091 123.186 119.950 0.242 0.000 2.202 93 F HA -0.209 4.317 4.527 -0.001 0.000 0.301 93 F C 1.852 177.768 175.800 0.194 0.000 1.082 93 F CA 1.384 59.531 58.000 0.244 0.000 1.313 93 F CB -1.771 37.313 39.000 0.141 0.000 1.024 93 F HN 0.430 nan 8.300 nan 0.000 0.495 94 H N -0.175 118.499 119.070 -0.660 0.000 2.543 94 H HA 0.465 5.021 4.556 -0.001 0.000 0.269 94 H C 1.659 176.824 175.328 -0.272 0.000 1.005 94 H CA 0.514 56.323 56.048 -0.399 0.000 1.146 94 H CB -0.758 28.666 29.762 -0.563 0.000 1.353 94 H HN 0.431 nan 8.280 nan 0.000 0.595 95 A N 0.667 123.099 122.820 -0.645 0.000 2.067 95 A HA 0.148 4.468 4.320 -0.001 0.000 0.217 95 A C 0.219 177.397 177.584 -0.676 0.000 1.156 95 A CA 0.101 51.683 52.037 -0.759 0.000 0.683 95 A CB -0.268 18.142 19.000 -0.982 0.000 0.808 95 A HN 0.201 nan 8.150 nan 0.000 0.455 96 F N -0.247 119.663 119.950 -0.066 0.000 2.492 96 F HA 0.433 4.960 4.527 -0.001 0.000 0.327 96 F C 0.470 176.259 175.800 -0.019 0.000 1.079 96 F CA -1.304 56.669 58.000 -0.045 0.000 0.967 96 F CB 0.857 39.818 39.000 -0.064 0.000 1.169 96 F HN 0.122 nan 8.300 nan 0.000 0.472 97 E N 1.509 121.806 120.200 0.161 0.000 2.442 97 E HA -0.048 4.301 4.350 -0.001 0.000 0.262 97 E C -0.388 176.252 176.600 0.066 0.000 1.004 97 E CA -0.195 56.256 56.400 0.085 0.000 0.928 97 E CB 0.557 30.287 29.700 0.050 0.000 0.937 97 E HN 0.653 nan 8.360 nan 0.000 0.446 98 E N 2.274 122.495 120.200 0.036 0.000 2.452 98 E HA 0.087 4.437 4.350 -0.001 0.000 0.261 98 E C -0.142 176.408 176.600 -0.083 0.000 0.987 98 E CA 0.871 57.261 56.400 -0.018 0.000 0.926 98 E CB 0.352 30.042 29.700 -0.017 0.000 0.934 98 E HN 0.680 nan 8.360 nan 0.000 0.452 99 A N 4.090 126.807 122.820 -0.171 0.000 2.704 99 A HA -0.241 4.078 4.320 -0.001 0.000 0.299 99 A C -0.033 177.442 177.584 -0.182 0.000 1.507 99 A CA 1.081 52.964 52.037 -0.256 0.000 0.776 99 A CB -1.669 17.199 19.000 -0.220 0.000 1.027 99 A HN 0.506 nan 8.150 nan 0.000 0.475 100 N N -0.358 118.258 118.700 -0.139 0.000 2.762 100 N HA 0.373 5.113 4.740 -0.001 0.000 0.252 100 N C 0.448 175.913 175.510 -0.076 0.000 1.269 100 N CA -0.224 52.781 53.050 -0.076 0.000 0.799 100 N CB 0.558 39.027 38.487 -0.030 0.000 1.173 100 N HN 0.365 nan 8.380 nan 0.000 0.516 101 L N 4.659 125.854 121.223 -0.046 0.000 2.012 101 L HA 0.161 4.501 4.340 -0.001 0.000 0.210 101 L C -0.985 175.824 176.870 -0.102 0.000 1.073 101 L CA 2.136 56.965 54.840 -0.017 0.000 0.748 101 L CB -0.981 41.167 42.059 0.148 0.000 0.891 101 L HN 0.337 nan 8.230 nan 0.000 0.431 102 P HA -0.121 nan 4.420 nan 0.000 0.216 102 P C 1.626 178.893 177.300 -0.055 0.000 1.153 102 P CA 1.863 64.940 63.100 -0.038 0.000 0.858 102 P CB -0.410 31.328 31.700 0.063 0.000 0.789 103 G N -0.272 108.510 108.800 -0.030 0.000 2.422 103 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.218 103 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.218 103 G C 1.512 176.398 174.900 -0.024 0.000 1.146 103 G CA 0.412 45.511 45.100 -0.003 0.000 0.769 103 G HN 0.276 nan 8.290 nan 0.000 0.547 104 L N -0.021 121.122 121.223 -0.132 0.000 2.056 104 L HA 0.085 4.425 4.340 -0.001 0.000 0.207 104 L C 2.792 179.502 176.870 -0.266 0.000 1.078 104 L CA 0.894 55.537 54.840 -0.328 0.000 0.749 104 L CB -0.167 41.571 42.059 -0.535 0.000 0.901 104 L HN 0.190 nan 8.230 nan 0.000 0.433 105 L N -0.061 121.012 121.223 -0.249 0.000 2.042 105 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 105 L C 2.873 179.673 176.870 -0.117 0.000 1.076 105 L CA 1.130 55.823 54.840 -0.246 0.000 0.749 105 L CB -0.935 40.868 42.059 -0.427 0.000 0.893 105 L HN 0.365 nan 8.230 nan 0.000 0.432 106 A N -0.908 121.870 122.820 -0.070 0.000 1.986 106 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 106 A C 2.525 180.116 177.584 0.012 0.000 1.171 106 A CA 2.401 54.435 52.037 -0.005 0.000 0.640 106 A CB -0.542 18.469 19.000 0.018 0.000 0.811 106 A HN 0.391 nan 8.150 nan 0.000 0.451 107 S N -1.194 114.513 115.700 0.012 0.000 2.356 107 S HA 0.134 4.603 4.470 -0.001 0.000 0.219 107 S C 1.629 176.226 174.600 -0.004 0.000 1.036 107 S CA 1.056 59.284 58.200 0.047 0.000 0.965 107 S CB -0.221 63.084 63.200 0.176 0.000 0.864 107 S HN 0.510 nan 8.310 nan 0.000 0.471 108 I N 0.537 121.065 120.570 -0.070 0.000 3.728 108 I HA 0.201 4.371 4.170 -0.001 0.000 0.307 108 I C 0.793 176.927 176.117 0.028 0.000 1.276 108 I CA 0.221 61.490 61.300 -0.052 0.000 1.285 108 I CB 0.393 38.263 38.000 -0.217 0.000 1.038 108 I HN 0.209 nan 8.210 nan 0.000 0.445 109 A N 0.071 122.896 122.820 0.009 0.000 2.897 109 A HA 0.630 4.950 4.320 -0.001 0.000 0.230 109 A C 0.482 178.207 177.584 0.235 0.000 0.896 109 A CA -0.036 52.096 52.037 0.159 0.000 1.114 109 A CB -0.505 18.630 19.000 0.226 0.000 1.230 109 A HN 0.293 nan 8.150 nan 0.000 0.481 110 G N 0.138 108.982 108.800 0.074 0.000 3.441 110 G HA2 0.249 4.209 3.960 -0.001 0.000 0.195 110 G HA3 0.249 4.209 3.960 -0.001 0.000 0.195 110 G C 0.712 175.679 174.900 0.112 0.000 1.633 110 G CA 0.223 45.387 45.100 0.106 0.000 0.895 110 G HN 0.206 nan 8.290 nan 0.000 0.654 111 N N 1.231 119.960 118.700 0.049 0.000 2.258 111 N HA -0.140 4.599 4.740 -0.001 0.000 0.187 111 N C 2.329 177.833 175.510 -0.011 0.000 1.012 111 N CA 1.360 54.434 53.050 0.040 0.000 0.870 111 N CB -0.488 38.014 38.487 0.026 0.000 0.977 111 N HN 0.611 nan 8.380 nan 0.000 0.434 112 I N -2.862 117.627 120.570 -0.135 0.000 2.530 112 I HA -0.177 3.992 4.170 -0.001 0.000 0.257 112 I C 1.345 177.329 176.117 -0.221 0.000 1.179 112 I CA 1.214 62.353 61.300 -0.269 0.000 1.440 112 I CB -0.626 37.088 38.000 -0.477 0.000 1.087 112 I HN -0.198 nan 8.210 nan 0.000 0.440 113 F N 2.276 122.220 119.950 -0.010 0.000 2.407 113 F HA 0.122 4.649 4.527 -0.001 0.000 0.299 113 F C 2.457 178.343 175.800 0.144 0.000 1.097 113 F CA 1.187 59.223 58.000 0.060 0.000 1.422 113 F CB -0.535 38.478 39.000 0.021 0.000 1.067 113 F HN 0.142 nan 8.300 nan 0.000 0.539 114 G N -0.932 107.997 108.800 0.216 0.000 3.189 114 G HA2 0.151 4.110 3.960 -0.001 0.000 0.225 114 G HA3 0.151 4.110 3.960 -0.001 0.000 0.225 114 G C 0.600 175.533 174.900 0.057 0.000 1.159 114 G CA -0.319 44.864 45.100 0.140 0.000 0.763 114 G HN 0.066 nan 8.290 nan 0.000 0.549 115 M N 0.742 120.352 119.600 0.016 0.000 2.238 115 M HA 0.166 4.645 4.480 -0.001 0.000 0.350 115 M C 1.367 177.637 176.300 -0.050 0.000 1.321 115 M CA 0.092 55.366 55.300 -0.043 0.000 1.097 115 M CB 1.283 33.816 32.600 -0.113 0.000 1.713 115 M HN -0.010 nan 8.290 nan 0.000 0.455 116 K N 1.530 121.894 120.400 -0.061 0.000 2.152 116 K HA -0.169 4.151 4.320 -0.001 0.000 0.206 116 K C 1.787 178.305 176.600 -0.137 0.000 1.048 116 K CA 1.337 57.583 56.287 -0.069 0.000 0.933 116 K CB -0.038 32.429 32.500 -0.054 0.000 0.721 116 K HN 0.518 nan 8.250 nan 0.000 0.447 117 R N 1.130 121.492 120.500 -0.230 0.000 2.285 117 R HA -0.056 4.283 4.340 -0.001 0.000 0.213 117 R C 0.050 176.195 176.300 -0.258 0.000 1.068 117 R CA 0.575 56.415 56.100 -0.434 0.000 1.004 117 R CB 0.156 30.167 30.300 -0.482 0.000 0.873 117 R HN 0.045 nan 8.270 nan 0.000 0.467 118 V N -1.943 117.894 119.914 -0.129 0.000 2.513 118 V HA 0.307 4.427 4.120 -0.001 0.000 0.299 118 V C 0.661 176.762 176.094 0.012 0.000 1.035 118 V CA -0.943 61.335 62.300 -0.037 0.000 0.889 118 V CB 1.985 33.801 31.823 -0.011 0.000 0.988 118 V HN -0.000 nan 8.190 nan 0.000 0.440 119 K N 3.190 123.617 120.400 0.046 0.000 2.116 119 K HA 0.319 4.639 4.320 -0.001 0.000 0.203 119 K C 0.719 177.355 176.600 0.060 0.000 1.052 119 K CA 1.204 57.515 56.287 0.040 0.000 0.952 119 K CB 0.129 32.657 32.500 0.047 0.000 0.729 119 K HN 1.089 nan 8.250 nan 0.000 0.446 120 G N 0.956 109.852 108.800 0.160 0.000 2.760 120 G HA2 0.465 4.425 3.960 -0.001 0.000 0.296 120 G HA3 0.465 4.425 3.960 -0.001 0.000 0.296 120 G C -2.367 172.772 174.900 0.399 0.000 1.427 120 G CA -0.655 44.641 45.100 0.326 0.000 1.109 120 G HN 0.071 nan 8.290 nan 0.000 0.553 121 L N 1.921 123.497 121.223 0.588 0.000 2.372 121 L HA 0.716 5.056 4.340 -0.001 0.000 0.274 121 L C -0.431 176.655 176.870 0.360 0.000 0.988 121 L CA -0.895 54.142 54.840 0.329 0.000 0.833 121 L CB 1.574 43.702 42.059 0.115 0.000 1.236 121 L HN 0.486 nan 8.230 nan 0.000 0.410 122 R N 4.666 125.388 120.500 0.369 0.000 2.337 122 R HA 0.392 4.731 4.340 -0.001 0.000 0.319 122 R C -1.337 175.191 176.300 0.379 0.000 0.954 122 R CA -0.993 55.315 56.100 0.347 0.000 0.840 122 R CB 1.459 31.897 30.300 0.231 0.000 1.164 122 R HN 0.652 nan 8.270 nan 0.000 0.472 123 L N 5.033 126.494 121.223 0.396 0.000 2.456 123 L HA 0.110 4.449 4.340 -0.001 0.000 0.277 123 L C 0.968 177.871 176.870 0.056 0.000 1.124 123 L CA 0.805 55.707 54.840 0.103 0.000 0.880 123 L CB 0.601 42.751 42.059 0.151 0.000 1.192 123 L HN 0.581 nan 8.230 nan 0.000 0.463 124 E N 2.371 122.562 120.200 -0.015 0.000 2.251 124 E HA 0.117 4.467 4.350 -0.001 0.000 0.194 124 E C -0.220 176.443 176.600 0.105 0.000 0.964 124 E CA 0.331 56.758 56.400 0.045 0.000 0.868 124 E CB 0.516 30.245 29.700 0.049 0.000 0.828 124 E HN 0.685 nan 8.360 nan 0.000 0.481 125 D N -0.697 119.729 120.400 0.043 0.000 2.648 125 D HA 0.318 4.958 4.640 -0.001 0.000 0.244 125 D C -1.951 174.351 176.300 0.003 0.000 1.244 125 D CA -0.644 53.445 54.000 0.148 0.000 0.772 125 D CB 1.610 42.539 40.800 0.215 0.000 1.379 125 D HN -0.151 nan 8.370 nan 0.000 0.428 126 L N 3.337 124.552 121.223 -0.013 0.000 2.406 126 L HA 0.437 4.777 4.340 -0.001 0.000 0.270 126 L C -1.671 175.138 176.870 -0.102 0.000 0.982 126 L CA -0.718 54.055 54.840 -0.113 0.000 0.843 126 L CB 1.171 43.044 42.059 -0.309 0.000 1.225 126 L HN 0.435 nan 8.230 nan 0.000 0.412 127 Y N 5.273 125.575 120.300 0.004 0.000 2.327 127 Y HA 0.628 5.178 4.550 -0.001 0.000 0.336 127 Y C -1.327 174.747 175.900 0.291 0.000 1.035 127 Y CA -0.396 57.746 58.100 0.071 0.000 1.165 127 Y CB 0.725 39.264 38.460 0.132 0.000 1.181 127 Y HN 0.412 nan 8.280 nan 0.000 0.494 128 F N 8.103 127.527 119.950 -0.876 0.000 2.444 128 F HA 0.443 4.969 4.527 -0.001 0.000 0.342 128 F C -2.149 173.111 175.800 -0.900 0.000 1.121 128 F CA -3.503 54.103 58.000 -0.657 0.000 0.997 128 F CB 1.292 40.061 39.000 -0.386 0.000 1.130 128 F HN 0.451 nan 8.300 nan 0.000 0.454 129 P HA 0.014 nan 4.420 nan 0.000 0.270 129 P C 0.772 177.981 177.300 -0.151 0.000 1.223 129 P CA -0.010 63.003 63.100 -0.145 0.000 0.785 129 P CB 1.035 32.750 31.700 0.025 0.000 0.923 130 E N 1.246 121.378 120.200 -0.112 0.000 2.130 130 E HA -0.271 4.078 4.350 -0.001 0.000 0.196 130 E C 1.721 178.134 176.600 -0.311 0.000 0.998 130 E CA 1.292 57.520 56.400 -0.287 0.000 0.806 130 E CB -0.101 29.286 29.700 -0.522 0.000 0.738 130 E HN 0.224 nan 8.360 nan 0.000 0.459 131 K N 0.239 120.455 120.400 -0.307 0.000 2.074 131 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 131 K C 2.138 178.560 176.600 -0.296 0.000 1.048 131 K CA 1.146 57.215 56.287 -0.364 0.000 0.926 131 K CB -0.202 31.940 32.500 -0.597 0.000 0.713 131 K HN 0.182 nan 8.250 nan 0.000 0.444 132 L N 0.812 121.874 121.223 -0.269 0.000 2.131 132 L HA -0.078 4.261 4.340 -0.001 0.000 0.206 132 L C 2.206 179.086 176.870 0.017 0.000 1.087 132 L CA 0.694 55.392 54.840 -0.236 0.000 0.767 132 L CB -0.396 41.359 42.059 -0.506 0.000 0.917 132 L HN 0.091 nan 8.230 nan 0.000 0.441 133 I N -0.121 120.476 120.570 0.045 0.000 2.194 133 I HA -0.316 3.853 4.170 -0.001 0.000 0.246 133 I C 2.285 178.500 176.117 0.164 0.000 1.093 133 I CA 1.521 62.920 61.300 0.165 0.000 1.355 133 I CB -0.969 37.071 38.000 0.068 0.000 1.046 133 I HN 0.326 nan 8.210 nan 0.000 0.413 134 R N 0.433 120.924 120.500 -0.014 0.000 2.323 134 R HA -0.055 4.285 4.340 -0.001 0.000 0.198 134 R C 1.523 177.790 176.300 -0.055 0.000 0.988 134 R CA 0.221 56.295 56.100 -0.043 0.000 1.041 134 R CB -0.059 30.158 30.300 -0.137 0.000 0.926 134 R HN 0.481 nan 8.270 nan 0.000 0.476 135 E N -0.441 119.704 120.200 -0.092 0.000 2.502 135 E HA 0.013 4.362 4.350 -0.001 0.000 0.194 135 E C -0.497 175.877 176.600 -0.377 0.000 1.062 135 E CA 0.297 56.543 56.400 -0.257 0.000 0.867 135 E CB 0.286 29.758 29.700 -0.380 0.000 0.888 135 E HN 0.095 nan 8.360 nan 0.000 0.510 136 F N -0.270 119.677 119.950 -0.006 0.000 2.523 136 F HA 0.230 4.756 4.527 -0.001 0.000 0.329 136 F C 1.218 177.033 175.800 0.025 0.000 1.061 136 F CA -0.884 57.133 58.000 0.028 0.000 0.967 136 F CB 1.291 40.332 39.000 0.067 0.000 1.218 136 F HN -0.230 nan 8.300 nan 0.000 0.480 137 D N 0.436 120.974 120.400 0.229 0.000 2.338 137 D HA 0.220 4.860 4.640 -0.001 0.000 0.208 137 D C 1.152 177.526 176.300 0.123 0.000 0.997 137 D CA 1.174 55.251 54.000 0.128 0.000 0.880 137 D CB 0.392 41.237 40.800 0.076 0.000 0.980 137 D HN 0.731 nan 8.370 nan 0.000 0.509 138 G N 1.564 110.456 108.800 0.154 0.000 2.796 138 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.226 138 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.226 138 G C -2.686 172.250 174.900 0.060 0.000 1.381 138 G CA -1.000 44.156 45.100 0.092 0.000 0.867 138 G HN -0.020 nan 8.290 nan 0.000 0.552 139 P HA 0.418 nan 4.420 nan 0.000 0.267 139 P C 0.797 178.115 177.300 0.030 0.000 1.205 139 P CA 0.821 63.945 63.100 0.039 0.000 0.765 139 P CB 0.995 32.708 31.700 0.022 0.000 0.828 140 A N 2.529 125.378 122.820 0.048 0.000 1.968 140 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 140 A C 1.366 178.844 177.584 -0.178 0.000 1.169 140 A CA 1.474 53.481 52.037 -0.051 0.000 0.638 140 A CB -1.097 17.887 19.000 -0.027 0.000 0.812 140 A HN 0.491 nan 8.150 nan 0.000 0.446 141 F N -1.227 118.703 119.950 -0.033 0.000 2.390 141 F HA 0.407 4.934 4.527 -0.001 0.000 0.281 141 F C 1.805 177.586 175.800 -0.032 0.000 1.016 141 F CA 0.753 58.735 58.000 -0.030 0.000 1.286 141 F CB -0.528 38.448 39.000 -0.040 0.000 1.134 141 F HN 0.451 nan 8.300 nan 0.000 0.597 142 G N 1.172 110.067 108.800 0.158 0.000 2.749 142 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.242 142 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.242 142 G C 0.774 175.665 174.900 -0.015 0.000 1.364 142 G CA 0.005 45.120 45.100 0.026 0.000 0.888 142 G HN 0.264 nan 8.290 nan 0.000 0.566 143 I N 0.541 120.979 120.570 -0.220 0.000 2.142 143 I HA -0.092 4.077 4.170 -0.001 0.000 0.240 143 I C 3.369 179.376 176.117 -0.184 0.000 1.078 143 I CA 2.821 63.824 61.300 -0.496 0.000 1.343 143 I CB -0.912 36.635 38.000 -0.754 0.000 1.046 143 I HN 0.928 nan 8.210 nan 0.000 0.405 144 E N 1.110 121.245 120.200 -0.109 0.000 2.085 144 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 144 E C 2.283 178.919 176.600 0.059 0.000 0.994 144 E CA 1.595 57.981 56.400 -0.024 0.000 0.801 144 E CB -1.624 28.058 29.700 -0.030 0.000 0.743 144 E HN 0.660 nan 8.360 nan 0.000 0.453 145 G N -0.100 108.761 108.800 0.101 0.000 2.408 145 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.217 145 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.217 145 G C 1.939 177.037 174.900 0.331 0.000 1.150 145 G CA 1.267 46.509 45.100 0.237 0.000 0.776 145 G HN 0.466 nan 8.290 nan 0.000 0.542 146 V N 0.456 120.540 119.914 0.284 0.000 2.346 146 V HA -0.065 4.055 4.120 -0.001 0.000 0.244 146 V C 2.837 179.103 176.094 0.287 0.000 1.037 146 V CA 1.478 63.954 62.300 0.293 0.000 1.029 146 V CB -0.456 31.616 31.823 0.415 0.000 0.663 146 V HN 0.261 nan 8.190 nan 0.000 0.454 147 R N 0.223 120.897 120.500 0.290 0.000 2.117 147 R HA -0.239 4.100 4.340 -0.001 0.000 0.243 147 R C 2.399 178.796 176.300 0.161 0.000 1.143 147 R CA 1.898 58.136 56.100 0.230 0.000 0.968 147 R CB -0.326 30.077 30.300 0.172 0.000 0.863 147 R HN 0.492 nan 8.270 nan 0.000 0.444 148 K N 1.285 121.774 120.400 0.148 0.000 2.025 148 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 148 K C 2.341 179.019 176.600 0.131 0.000 1.049 148 K CA 1.590 57.950 56.287 0.122 0.000 0.933 148 K CB -0.058 32.508 32.500 0.109 0.000 0.714 148 K HN 0.141 nan 8.250 nan 0.000 0.438 149 M N -0.179 119.519 119.600 0.164 0.000 2.159 149 M HA -0.106 4.374 4.480 -0.001 0.000 0.263 149 M C 1.450 177.825 176.300 0.126 0.000 1.063 149 M CA 1.647 57.035 55.300 0.145 0.000 1.110 149 M CB -0.292 32.391 32.600 0.138 0.000 1.374 149 M HN 0.045 nan 8.290 nan 0.000 0.411 150 L N 0.400 121.707 121.223 0.140 0.000 2.509 150 L HA 0.166 4.505 4.340 -0.001 0.000 0.222 150 L C 0.160 177.088 176.870 0.097 0.000 1.123 150 L CA 0.134 55.047 54.840 0.121 0.000 0.856 150 L CB -0.420 41.721 42.059 0.137 0.000 0.985 150 L HN 0.448 nan 8.230 nan 0.000 0.456 151 E N 0.992 121.251 120.200 0.098 0.000 2.252 151 E HA -0.213 4.137 4.350 -0.001 0.000 0.218 151 E C -0.402 176.243 176.600 0.076 0.000 1.253 151 E CA 0.265 56.713 56.400 0.079 0.000 0.705 151 E CB -1.410 28.327 29.700 0.063 0.000 1.172 151 E HN 0.451 nan 8.360 nan 0.000 0.369 152 I N -0.423 120.205 120.570 0.095 0.000 2.466 152 I HA 0.192 4.362 4.170 -0.001 0.000 0.279 152 I C 1.218 177.396 176.117 0.102 0.000 1.033 152 I CA -0.119 61.236 61.300 0.092 0.000 1.123 152 I CB 1.144 39.204 38.000 0.100 0.000 1.237 152 I HN 0.188 nan 8.210 nan 0.000 0.460 153 K N 3.474 123.920 120.400 0.076 0.000 2.076 153 K HA -0.016 4.304 4.320 -0.001 0.000 0.204 153 K C 0.994 177.635 176.600 0.069 0.000 1.051 153 K CA 1.818 58.146 56.287 0.067 0.000 0.949 153 K CB -0.267 32.261 32.500 0.047 0.000 0.726 153 K HN 0.676 nan 8.250 nan 0.000 0.443 154 D N -1.970 118.468 120.400 0.064 0.000 2.434 154 D HA 0.110 4.750 4.640 -0.001 0.000 0.288 154 D C 0.572 176.912 176.300 0.065 0.000 1.083 154 D CA -0.223 53.811 54.000 0.057 0.000 0.903 154 D CB 0.338 41.158 40.800 0.034 0.000 1.476 154 D HN 0.506 nan 8.370 nan 0.000 0.502 155 R N 1.821 122.354 120.500 0.056 0.000 2.738 155 R HA 0.349 4.688 4.340 -0.001 0.000 0.268 155 R C -2.452 173.894 176.300 0.076 0.000 1.062 155 R CA -1.266 54.861 56.100 0.046 0.000 1.158 155 R CB -0.681 29.631 30.300 0.021 0.000 1.046 155 R HN -0.122 nan 8.270 nan 0.000 0.493 156 P HA 0.016 nan 4.420 nan 0.000 0.269 156 P C -0.144 177.179 177.300 0.039 0.000 1.215 156 P CA -0.122 63.012 63.100 0.057 0.000 0.780 156 P CB 0.367 32.086 31.700 0.031 0.000 0.898 157 I N 2.042 122.594 120.570 -0.030 0.000 2.575 157 I HA 0.132 4.302 4.170 -0.001 0.000 0.285 157 I C 0.265 176.450 176.117 0.112 0.000 1.085 157 I CA -0.247 61.056 61.300 0.006 0.000 1.403 157 I CB -0.807 37.122 38.000 -0.119 0.000 1.409 157 I HN 0.423 nan 8.210 nan 0.000 0.557 158 Y N 3.983 124.262 120.300 -0.036 0.000 2.406 158 Y HA 0.752 5.301 4.550 -0.001 0.000 0.340 158 Y C -0.340 175.251 175.900 -0.516 0.000 0.975 158 Y CA -0.815 57.189 58.100 -0.161 0.000 1.056 158 Y CB 1.776 40.141 38.460 -0.158 0.000 1.210 158 Y HN 0.730 nan 8.280 nan 0.000 0.448 159 G N 2.984 110.836 108.800 -1.580 0.000 2.684 159 G HA2 0.613 4.572 3.960 -0.001 0.000 0.290 159 G HA3 0.613 4.572 3.960 -0.001 0.000 0.290 159 G C -2.393 171.626 174.900 -1.468 0.000 1.425 159 G CA -0.921 42.580 45.100 -2.665 0.000 0.822 159 G HN 0.644 nan 8.290 nan 0.000 0.482 160 V N -0.061 119.239 119.914 -1.024 0.000 2.709 160 V HA 0.554 4.673 4.120 -0.001 0.000 0.308 160 V C -0.327 175.667 176.094 -0.166 0.000 1.062 160 V CA -0.768 61.275 62.300 -0.429 0.000 0.901 160 V CB 1.815 33.433 31.823 -0.342 0.000 1.003 160 V HN 0.616 nan 8.190 nan 0.000 0.425 161 V N 6.138 126.033 119.914 -0.032 0.000 2.370 161 V HA 0.354 4.473 4.120 -0.001 0.000 0.279 161 V C -2.302 173.822 176.094 0.050 0.000 1.029 161 V CA -2.002 60.336 62.300 0.064 0.000 0.870 161 V CB 1.628 33.517 31.823 0.111 0.000 0.984 161 V HN 0.742 nan 8.190 nan 0.000 0.451 162 P HA 0.175 nan 4.420 nan 0.000 0.267 162 P C -0.724 176.595 177.300 0.032 0.000 1.205 162 P CA -0.074 63.021 63.100 -0.009 0.000 0.765 162 P CB 0.404 32.020 31.700 -0.141 0.000 0.828 163 K N 3.983 124.387 120.400 0.006 0.000 2.292 163 K HA 0.461 4.781 4.320 -0.001 0.000 0.257 163 K C -2.225 174.390 176.600 0.025 0.000 0.940 163 K CA -2.234 54.080 56.287 0.046 0.000 0.811 163 K CB 0.498 33.027 32.500 0.049 0.000 1.120 163 K HN 0.340 nan 8.250 nan 0.000 0.428 164 P HA 0.176 nan 4.420 nan 0.000 0.272 164 P C 0.277 177.698 177.300 0.202 0.000 1.223 164 P CA -0.283 62.885 63.100 0.114 0.000 0.784 164 P CB 1.041 32.803 31.700 0.103 0.000 0.923 165 K N 0.204 120.691 120.400 0.145 0.000 2.015 165 K HA -0.107 4.212 4.320 -0.001 0.000 0.216 165 K C 1.147 177.844 176.600 0.161 0.000 1.052 165 K CA 1.893 58.266 56.287 0.143 0.000 0.937 165 K CB -0.529 32.012 32.500 0.069 0.000 0.719 165 K HN 0.528 nan 8.250 nan 0.000 0.446 166 V N -5.882 114.072 119.914 0.066 0.000 3.158 166 V HA 0.783 4.903 4.120 -0.001 0.000 0.311 166 V C 0.593 176.603 176.094 -0.139 0.000 1.181 166 V CA -0.366 61.889 62.300 -0.075 0.000 1.054 166 V CB 1.379 33.193 31.823 -0.016 0.000 1.085 166 V HN 0.486 nan 8.190 nan 0.000 0.446 167 G N -0.119 108.427 108.800 -0.423 0.000 2.184 167 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.206 167 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.206 167 G C -0.307 174.405 174.900 -0.314 0.000 0.995 167 G CA 0.345 45.120 45.100 -0.541 0.000 0.651 167 G HN 2.180 nan 8.290 nan 0.000 0.511 168 Y N 1.280 121.495 120.300 -0.142 0.000 2.528 168 Y HA 0.844 5.394 4.550 -0.001 0.000 0.335 168 Y C 0.406 176.324 175.900 0.030 0.000 1.093 168 Y CA -1.025 57.048 58.100 -0.045 0.000 1.134 168 Y CB 1.164 39.629 38.460 0.007 0.000 1.253 168 Y HN 0.525 nan 8.280 nan 0.000 0.478 169 S N 0.188 116.020 115.700 0.221 0.000 2.722 169 S HA 0.503 4.972 4.470 -0.001 0.000 0.292 169 S C -2.283 172.445 174.600 0.214 0.000 1.135 169 S CA -1.508 56.771 58.200 0.132 0.000 1.003 169 S CB 1.810 65.070 63.200 0.101 0.000 1.067 169 S HN 0.543 nan 8.310 nan 0.000 0.546 170 P HA -0.028 nan 4.420 nan 0.000 0.216 170 P C 0.898 178.307 177.300 0.181 0.000 1.153 170 P CA 1.210 64.394 63.100 0.141 0.000 0.848 170 P CB -0.027 31.693 31.700 0.033 0.000 0.787 171 E N -0.109 120.157 120.200 0.109 0.000 2.072 171 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 171 E C 1.912 178.553 176.600 0.068 0.000 0.985 171 E CA 1.139 57.578 56.400 0.065 0.000 0.801 171 E CB -0.714 29.011 29.700 0.043 0.000 0.750 171 E HN 0.408 nan 8.360 nan 0.000 0.452 172 E N -0.224 120.043 120.200 0.112 0.000 2.150 172 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 172 E C 1.653 178.304 176.600 0.086 0.000 0.985 172 E CA 0.680 57.134 56.400 0.090 0.000 0.814 172 E CB -0.166 29.606 29.700 0.120 0.000 0.752 172 E HN 0.212 nan 8.360 nan 0.000 0.466 173 F N 2.199 122.145 119.950 -0.006 0.000 2.186 173 F HA -0.141 4.385 4.527 -0.001 0.000 0.299 173 F C 2.162 177.902 175.800 -0.101 0.000 1.090 173 F CA 1.591 59.545 58.000 -0.076 0.000 1.307 173 F CB -0.085 38.941 39.000 0.042 0.000 1.019 173 F HN -0.065 nan 8.300 nan 0.000 0.489 174 E N 0.428 120.534 120.200 -0.156 0.000 2.070 174 E HA -0.348 4.002 4.350 -0.001 0.000 0.197 174 E C 2.242 178.692 176.600 -0.250 0.000 1.004 174 E CA 1.827 58.071 56.400 -0.261 0.000 0.805 174 E CB -0.230 29.394 29.700 -0.126 0.000 0.744 174 E HN 0.312 nan 8.360 nan 0.000 0.451 175 K N 0.405 120.708 120.400 -0.161 0.000 2.025 175 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 175 K C 2.150 178.683 176.600 -0.110 0.000 1.049 175 K CA 1.247 57.473 56.287 -0.101 0.000 0.933 175 K CB -0.566 31.890 32.500 -0.074 0.000 0.714 175 K HN 0.232 nan 8.250 nan 0.000 0.438 176 L N 0.500 121.612 121.223 -0.186 0.000 2.012 176 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 176 L C 2.149 178.844 176.870 -0.291 0.000 1.073 176 L CA 2.267 56.981 54.840 -0.209 0.000 0.748 176 L CB -0.974 40.956 42.059 -0.215 0.000 0.891 176 L HN 0.258 nan 8.230 nan 0.000 0.431 177 A N -1.363 121.157 122.820 -0.501 0.000 1.877 177 A HA -0.283 4.037 4.320 -0.001 0.000 0.216 177 A C 2.299 179.699 177.584 -0.307 0.000 1.186 177 A CA 1.805 53.516 52.037 -0.544 0.000 0.620 177 A CB -1.308 17.120 19.000 -0.954 0.000 0.822 177 A HN 0.644 nan 8.150 nan 0.000 0.443 178 Y N 1.355 121.458 120.300 -0.329 0.000 2.081 178 Y HA -0.291 4.259 4.550 -0.000 0.000 0.280 178 Y C 1.988 177.782 175.900 -0.177 0.000 1.163 178 Y CA 2.336 60.304 58.100 -0.221 0.000 1.135 178 Y CB -0.300 38.050 38.460 -0.183 0.000 0.970 178 Y HN 0.373 nan 8.280 nan 0.000 0.498 179 D N 0.116 120.434 120.400 -0.137 0.000 2.117 179 D HA -0.192 4.448 4.640 -0.001 0.000 0.197 179 D C 2.365 178.527 176.300 -0.229 0.000 0.987 179 D CA 1.701 55.590 54.000 -0.185 0.000 0.829 179 D CB -0.494 40.265 40.800 -0.068 0.000 0.961 179 D HN 0.417 nan 8.370 nan 0.000 0.460 180 L N 0.207 121.300 121.223 -0.216 0.000 2.027 180 L HA -0.113 4.226 4.340 -0.001 0.000 0.206 180 L C 2.575 179.304 176.870 -0.235 0.000 1.074 180 L CA 0.681 55.398 54.840 -0.205 0.000 0.745 180 L CB -0.347 41.580 42.059 -0.220 0.000 0.898 180 L HN 0.020 nan 8.230 nan 0.000 0.433 181 L N -1.127 119.929 121.223 -0.278 0.000 2.131 181 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 181 L C 2.550 179.263 176.870 -0.262 0.000 1.092 181 L CA 0.850 55.533 54.840 -0.261 0.000 0.759 181 L CB -0.459 41.453 42.059 -0.244 0.000 0.903 181 L HN 0.181 nan 8.230 nan 0.000 0.435 182 S N -0.516 114.965 115.700 -0.365 0.000 2.453 182 S HA -0.033 4.437 4.470 -0.001 0.000 0.231 182 S C 1.338 175.810 174.600 -0.215 0.000 1.005 182 S CA 0.673 58.656 58.200 -0.361 0.000 0.949 182 S CB -0.149 62.696 63.200 -0.592 0.000 0.774 182 S HN 0.446 nan 8.310 nan 0.000 0.510 183 N N 0.203 118.796 118.700 -0.178 0.000 2.273 183 N HA 0.217 4.957 4.740 -0.001 0.000 0.231 183 N C 0.897 176.374 175.510 -0.056 0.000 1.134 183 N CA 0.568 53.553 53.050 -0.108 0.000 0.856 183 N CB 1.211 39.637 38.487 -0.102 0.000 1.068 183 N HN 0.497 nan 8.380 nan 0.000 0.510 184 G N 0.215 108.984 108.800 -0.053 0.000 2.255 184 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.196 184 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.196 184 G C 0.199 175.137 174.900 0.064 0.000 0.998 184 G CA -0.077 45.031 45.100 0.014 0.000 0.656 184 G HN 0.454 nan 8.290 nan 0.000 0.490 185 A N 0.769 123.555 122.820 -0.057 0.000 2.450 185 A HA 0.540 4.860 4.320 -0.001 0.000 0.255 185 A C 1.116 178.508 177.584 -0.320 0.000 1.096 185 A CA 0.817 52.636 52.037 -0.363 0.000 0.778 185 A CB 0.295 18.967 19.000 -0.548 0.000 1.031 185 A HN 0.187 nan 8.150 nan 0.000 0.494 186 D N 0.043 120.224 120.400 -0.365 0.000 2.249 186 D HA 0.083 4.722 4.640 -0.001 0.000 0.205 186 D C -0.047 176.149 176.300 -0.174 0.000 0.962 186 D CA 1.798 55.694 54.000 -0.174 0.000 0.860 186 D CB 0.033 40.812 40.800 -0.034 0.000 0.955 186 D HN 0.728 nan 8.370 nan 0.000 0.505 187 Y N -1.694 118.339 120.300 -0.444 0.000 2.581 187 Y HA 0.513 5.062 4.550 -0.001 0.000 0.337 187 Y C -0.721 174.882 175.900 -0.495 0.000 1.108 187 Y CA -1.449 56.341 58.100 -0.518 0.000 1.033 187 Y CB 0.731 38.629 38.460 -0.937 0.000 1.318 187 Y HN -0.397 nan 8.280 nan 0.000 0.459 191 D N 1.123 121.563 120.400 0.068 0.000 2.423 191 D HA -0.039 4.601 4.640 -0.001 0.000 0.238 191 D C 1.388 177.623 176.300 -0.108 0.000 1.142 191 D CA 0.123 54.125 54.000 0.003 0.000 0.884 191 D CB 1.114 41.932 40.800 0.030 0.000 1.199 191 D HN 0.402 nan 8.370 nan 0.000 0.438 192 E N 2.679 122.708 120.200 -0.285 0.000 2.333 192 E HA -0.223 4.126 4.350 -0.001 0.000 0.198 192 E C 0.705 177.175 176.600 -0.216 0.000 1.007 192 E CA 0.984 57.123 56.400 -0.434 0.000 0.845 192 E CB -0.232 28.854 29.700 -1.024 0.000 0.766 192 E HN 0.487 nan 8.360 nan 0.000 0.507 193 N N 0.871 119.491 118.700 -0.133 0.000 2.236 193 N HA 0.009 4.748 4.740 -0.001 0.000 0.196 193 N C 0.294 175.766 175.510 -0.064 0.000 1.114 193 N CA -0.320 52.682 53.050 -0.079 0.000 0.859 193 N CB -0.221 38.237 38.487 -0.048 0.000 0.982 193 N HN 0.094 nan 8.380 nan 0.000 0.493 194 L N 2.374 123.556 121.223 -0.067 0.000 2.325 194 L HA 0.325 4.665 4.340 -0.001 0.000 0.284 194 L C 0.835 177.667 176.870 -0.064 0.000 1.089 194 L CA 0.123 54.914 54.840 -0.082 0.000 0.836 194 L CB 0.411 42.418 42.059 -0.087 0.000 1.184 194 L HN 0.302 nan 8.230 nan 0.000 0.444 195 T N -0.041 114.463 114.554 -0.083 0.000 2.090 195 T HA 0.266 4.615 4.350 -0.001 0.000 0.179 195 T C 0.492 175.175 174.700 -0.030 0.000 0.687 195 T CA 0.247 62.324 62.100 -0.039 0.000 1.523 195 T CB 0.122 68.955 68.868 -0.058 0.000 3.135 195 T HN 0.342 nan 8.240 nan 0.000 0.403 196 S N 2.992 118.648 115.700 -0.072 0.000 2.327 196 S HA 0.447 4.917 4.470 -0.001 0.000 0.203 196 S C -2.646 171.852 174.600 -0.171 0.000 1.326 196 S CA -1.278 56.879 58.200 -0.072 0.000 1.248 196 S CB -0.133 63.084 63.200 0.028 0.000 1.199 196 S HN 0.520 nan 8.310 nan 0.000 0.422 197 P HA 0.201 nan 4.420 nan 0.000 0.277 197 P C 1.521 178.517 177.300 -0.508 0.000 1.271 197 P CA -0.691 62.127 63.100 -0.470 0.000 0.795 197 P CB 0.270 31.457 31.700 -0.854 0.000 1.101 198 W N 1.251 122.393 121.300 -0.262 0.000 2.350 198 W HA -0.210 4.451 4.660 0.001 0.000 0.289 198 W C 1.339 177.796 176.519 -0.103 0.000 1.215 198 W CA 1.122 58.398 57.345 -0.115 0.000 1.236 198 W CB -1.945 27.514 29.460 -0.001 0.000 1.130 198 W HN 0.387 nan 8.180 nan 0.000 0.541 199 Y N 0.027 119.777 120.300 -0.918 0.000 2.490 199 Y HA 0.378 4.927 4.550 -0.001 0.000 0.281 199 Y C 0.528 176.167 175.900 -0.433 0.000 1.174 199 Y CA 0.229 57.824 58.100 -0.842 0.000 1.295 199 Y CB -0.912 36.677 38.460 -1.451 0.000 1.062 199 Y HN -0.121 nan 8.280 nan 0.000 0.522 200 N N 1.353 119.659 118.700 -0.658 0.000 2.824 200 N HA 0.091 4.830 4.740 -0.001 0.000 0.224 200 N C -1.417 173.905 175.510 -0.313 0.000 1.418 200 N CA -0.205 52.603 53.050 -0.403 0.000 0.743 200 N CB 0.573 38.791 38.487 -0.449 0.000 1.395 200 N HN 0.066 nan 8.380 nan 0.000 0.548 201 R N 1.342 121.742 120.500 -0.167 0.000 2.537 201 R HA 0.057 4.396 4.340 -0.001 0.000 0.280 201 R C 1.356 177.662 176.300 0.011 0.000 1.058 201 R CA -0.276 55.790 56.100 -0.056 0.000 1.057 201 R CB 0.060 30.361 30.300 0.002 0.000 0.973 201 R HN 0.444 nan 8.270 nan 0.000 0.438 202 F N 3.715 123.635 119.950 -0.050 0.000 2.063 202 F HA -0.312 4.214 4.527 -0.001 0.000 0.298 202 F C 2.288 178.134 175.800 0.077 0.000 1.109 202 F CA 2.304 60.320 58.000 0.027 0.000 1.212 202 F CB 0.140 39.151 39.000 0.019 0.000 0.973 202 F HN 0.625 nan 8.300 nan 0.000 0.480 203 E N 0.423 120.793 120.200 0.283 0.000 2.204 203 E HA -0.241 4.109 4.350 -0.001 0.000 0.195 203 E C 1.751 178.367 176.600 0.028 0.000 0.990 203 E CA 1.724 58.234 56.400 0.182 0.000 0.821 203 E CB -0.875 28.935 29.700 0.184 0.000 0.750 203 E HN 0.647 nan 8.360 nan 0.000 0.477 204 E N 0.948 121.147 120.200 -0.003 0.000 2.072 204 E HA -0.121 4.229 4.350 -0.001 0.000 0.190 204 E C 2.365 178.910 176.600 -0.092 0.000 0.982 204 E CA 1.306 57.685 56.400 -0.034 0.000 0.803 204 E CB -0.140 29.550 29.700 -0.017 0.000 0.755 204 E HN 0.410 nan 8.360 nan 0.000 0.453 205 R N 0.793 121.197 120.500 -0.160 0.000 2.153 205 R HA 0.128 4.467 4.340 -0.001 0.000 0.218 205 R C 2.219 178.237 176.300 -0.469 0.000 1.072 205 R CA 0.976 56.919 56.100 -0.261 0.000 0.990 205 R CB -0.260 29.837 30.300 -0.338 0.000 0.889 205 R HN 0.033 nan 8.270 nan 0.000 0.452 206 A N 2.203 124.809 122.820 -0.356 0.000 1.865 206 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 206 A C 2.033 179.527 177.584 -0.150 0.000 1.191 206 A CA 1.550 53.455 52.037 -0.220 0.000 0.623 206 A CB -0.411 18.597 19.000 0.013 0.000 0.826 206 A HN 0.392 nan 8.150 nan 0.000 0.444 207 E N -0.289 119.857 120.200 -0.089 0.000 2.058 207 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 207 E C 2.036 178.582 176.600 -0.091 0.000 0.997 207 E CA 1.427 57.794 56.400 -0.055 0.000 0.801 207 E CB -0.408 29.273 29.700 -0.031 0.000 0.746 207 E HN 0.718 nan 8.360 nan 0.000 0.450 208 I N 0.748 121.243 120.570 -0.125 0.000 2.163 208 I HA -0.293 3.877 4.170 -0.001 0.000 0.243 208 I C 2.535 178.543 176.117 -0.182 0.000 1.085 208 I CA 0.947 62.170 61.300 -0.129 0.000 1.347 208 I CB -0.170 37.772 38.000 -0.096 0.000 1.044 208 I HN 0.118 nan 8.210 nan 0.000 0.408 209 M N 0.054 119.471 119.600 -0.305 0.000 2.175 209 M HA -0.134 4.346 4.480 -0.001 0.000 0.264 209 M C 2.548 178.762 176.300 -0.143 0.000 1.063 209 M CA 1.771 56.862 55.300 -0.349 0.000 1.119 209 M CB -1.379 30.742 32.600 -0.799 0.000 1.377 209 M HN 0.304 nan 8.290 nan 0.000 0.415 210 A N 0.422 123.194 122.820 -0.080 0.000 1.902 210 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 210 A C 2.288 179.861 177.584 -0.018 0.000 1.181 210 A CA 1.685 53.719 52.037 -0.004 0.000 0.623 210 A CB -0.480 18.531 19.000 0.018 0.000 0.818 210 A HN 0.475 nan 8.150 nan 0.000 0.443 211 K N -0.504 119.870 120.400 -0.042 0.000 2.002 211 K HA -0.085 4.234 4.320 -0.001 0.000 0.209 211 K C 1.836 178.418 176.600 -0.031 0.000 1.048 211 K CA 1.370 57.636 56.287 -0.036 0.000 0.930 211 K CB -0.385 32.085 32.500 -0.049 0.000 0.714 211 K HN 0.352 nan 8.250 nan 0.000 0.438 212 I N 1.662 122.199 120.570 -0.055 0.000 2.194 212 I HA -0.274 3.895 4.170 -0.001 0.000 0.246 212 I C 2.345 178.459 176.117 -0.005 0.000 1.093 212 I CA 1.521 62.806 61.300 -0.024 0.000 1.355 212 I CB -0.913 37.031 38.000 -0.093 0.000 1.046 212 I HN 0.191 nan 8.210 nan 0.000 0.413 213 I N 0.470 121.026 120.570 -0.023 0.000 2.179 213 I HA -0.297 3.872 4.170 -0.001 0.000 0.242 213 I C 2.161 178.286 176.117 0.013 0.000 1.088 213 I CA 1.378 62.677 61.300 -0.002 0.000 1.357 213 I CB -0.382 37.636 38.000 0.030 0.000 1.051 213 I HN 0.166 nan 8.210 nan 0.000 0.409 214 D N 0.818 121.228 120.400 0.017 0.000 2.097 214 D HA -0.214 4.426 4.640 -0.001 0.000 0.195 214 D C 2.096 178.410 176.300 0.023 0.000 0.989 214 D CA 1.172 55.184 54.000 0.020 0.000 0.827 214 D CB -0.198 40.613 40.800 0.017 0.000 0.966 214 D HN 0.200 nan 8.370 nan 0.000 0.456 215 K N 0.637 121.055 120.400 0.031 0.000 2.002 215 K HA -0.117 4.202 4.320 -0.001 0.000 0.209 215 K C 1.998 178.641 176.600 0.072 0.000 1.048 215 K CA 0.992 57.314 56.287 0.058 0.000 0.930 215 K CB -0.172 32.377 32.500 0.081 0.000 0.714 215 K HN -0.036 nan 8.250 nan 0.000 0.438 216 V N 1.957 121.905 119.914 0.055 0.000 2.407 216 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 216 V C 2.079 178.159 176.094 -0.023 0.000 1.055 216 V CA 1.888 64.175 62.300 -0.022 0.000 1.049 216 V CB -0.445 31.312 31.823 -0.111 0.000 0.662 216 V HN 0.400 nan 8.190 nan 0.000 0.455 217 E N 0.160 120.357 120.200 -0.005 0.000 2.077 217 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 217 E C 2.098 178.702 176.600 0.007 0.000 0.989 217 E CA 1.269 57.670 56.400 0.002 0.000 0.800 217 E CB -0.241 29.467 29.700 0.014 0.000 0.746 217 E HN 0.605 nan 8.360 nan 0.000 0.452 218 N N 1.130 119.838 118.700 0.014 0.000 2.120 218 N HA -0.159 4.581 4.740 -0.001 0.000 0.188 218 N C 1.629 177.147 175.510 0.012 0.000 1.024 218 N CA 1.142 54.201 53.050 0.015 0.000 0.852 218 N CB -0.146 38.352 38.487 0.019 0.000 1.003 218 N HN 0.323 nan 8.380 nan 0.000 0.424 219 E N -0.483 119.725 120.200 0.014 0.000 2.112 219 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 219 E C 1.651 178.247 176.600 -0.008 0.000 0.979 219 E CA 1.426 57.832 56.400 0.011 0.000 0.814 219 E CB 0.019 29.735 29.700 0.028 0.000 0.762 219 E HN 0.513 nan 8.360 nan 0.000 0.460 220 T N -3.613 110.929 114.554 -0.020 0.000 2.990 220 T HA 0.252 4.602 4.350 -0.001 0.000 0.250 220 T C 1.601 176.293 174.700 -0.014 0.000 1.041 220 T CA 0.444 62.527 62.100 -0.028 0.000 1.010 220 T CB 0.712 69.548 68.868 -0.053 0.000 1.003 220 T HN 0.233 nan 8.240 nan 0.000 0.499 221 G N 1.381 110.178 108.800 -0.005 0.000 2.166 221 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.260 221 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.260 221 G C -0.287 174.616 174.900 0.006 0.000 0.986 221 G CA 0.357 45.459 45.100 0.003 0.000 0.683 221 G HN 0.684 nan 8.290 nan 0.000 0.527 222 E N 0.328 120.527 120.200 -0.002 0.000 2.199 222 E HA 0.417 4.767 4.350 -0.001 0.000 0.269 222 E C 0.018 176.622 176.600 0.007 0.000 0.899 222 E CA -1.112 55.290 56.400 0.003 0.000 0.772 222 E CB 1.235 30.931 29.700 -0.007 0.000 1.155 222 E HN 0.006 nan 8.360 nan 0.000 0.408 223 K N 2.526 122.941 120.400 0.024 0.000 2.414 223 K HA 0.205 4.525 4.320 -0.001 0.000 0.272 223 K C -0.062 176.555 176.600 0.029 0.000 0.993 223 K CA 0.178 56.487 56.287 0.037 0.000 0.964 223 K CB 0.386 32.923 32.500 0.060 0.000 0.925 223 K HN 0.332 nan 8.250 nan 0.000 0.487 224 K N 0.572 120.994 120.400 0.036 0.000 2.482 224 K HA 0.507 4.827 4.320 -0.001 0.000 0.257 224 K C -0.140 176.506 176.600 0.077 0.000 0.969 224 K CA -0.675 55.627 56.287 0.025 0.000 0.842 224 K CB 2.268 34.758 32.500 -0.016 0.000 1.359 224 K HN 0.670 nan 8.250 nan 0.000 0.441 225 T N -0.691 113.913 114.554 0.084 0.000 2.681 225 T HA 0.664 5.014 4.350 -0.001 0.000 0.296 225 T C -2.074 172.740 174.700 0.190 0.000 1.157 225 T CA -0.546 61.656 62.100 0.170 0.000 1.025 225 T CB 0.929 69.946 68.868 0.247 0.000 1.441 225 T HN 0.548 nan 8.240 nan 0.000 0.504 226 W N 2.481 123.804 121.300 0.038 0.000 3.132 226 W HA 0.613 5.272 4.660 -0.001 0.000 0.337 226 W C -2.302 174.331 176.519 0.190 0.000 1.082 226 W CA -1.720 55.633 57.345 0.015 0.000 1.242 226 W CB 0.732 30.225 29.460 0.055 0.000 1.354 226 W HN 0.397 nan 8.180 nan 0.000 0.461 227 F N 5.880 125.608 119.950 -0.369 0.000 2.509 227 F HA 0.514 5.040 4.527 -0.001 0.000 0.350 227 F C 0.897 176.240 175.800 -0.761 0.000 1.220 227 F CA -1.304 56.380 58.000 -0.527 0.000 1.151 227 F CB -0.508 38.182 39.000 -0.517 0.000 1.379 227 F HN 0.463 nan 8.300 nan 0.000 0.610 228 A N 3.164 125.458 122.820 -0.876 0.000 2.269 228 A HA 0.303 4.623 4.320 -0.001 0.000 0.302 228 A C 0.405 177.848 177.584 -0.234 0.000 1.266 228 A CA -0.630 50.757 52.037 -1.083 0.000 0.894 228 A CB -0.022 17.928 19.000 -1.749 0.000 1.147 228 A HN 0.526 nan 8.150 nan 0.000 0.537 229 N N 2.771 121.451 118.700 -0.033 0.000 2.402 229 N HA 0.084 4.824 4.740 -0.001 0.000 0.259 229 N C 0.854 176.436 175.510 0.121 0.000 1.167 229 N CA -0.318 52.758 53.050 0.043 0.000 0.949 229 N CB 0.203 38.698 38.487 0.013 0.000 1.212 229 N HN 0.655 nan 8.380 nan 0.000 0.493 230 I N -0.193 120.360 120.570 -0.028 0.000 3.684 230 I HA 0.156 4.326 4.170 -0.001 0.000 0.304 230 I C 0.025 176.033 176.117 -0.180 0.000 1.278 230 I CA -0.176 60.982 61.300 -0.237 0.000 1.272 230 I CB -0.393 37.458 38.000 -0.249 0.000 1.029 230 I HN 0.085 nan 8.210 nan 0.000 0.458 231 T N 3.546 118.035 114.554 -0.109 0.000 2.800 231 T HA 0.380 4.729 4.350 -0.001 0.000 0.283 231 T C 0.161 174.805 174.700 -0.093 0.000 0.999 231 T CA 0.818 62.860 62.100 -0.096 0.000 1.176 231 T CB 0.171 68.988 68.868 -0.086 0.000 0.973 231 T HN 0.722 nan 8.240 nan 0.000 0.519 232 A N 3.585 126.356 122.820 -0.082 0.000 2.361 232 A HA 0.475 4.795 4.320 -0.001 0.000 0.297 232 A C -1.159 176.395 177.584 -0.049 0.000 1.036 232 A CA -1.028 50.968 52.037 -0.069 0.000 0.589 232 A CB 0.453 19.398 19.000 -0.092 0.000 1.418 232 A HN 0.620 nan 8.150 nan 0.000 0.539 233 D N -0.037 120.340 120.400 -0.037 0.000 2.390 233 D HA 0.165 4.804 4.640 -0.001 0.000 0.236 233 D C 1.493 177.782 176.300 -0.018 0.000 1.189 233 D CA 0.125 54.112 54.000 -0.022 0.000 0.887 233 D CB 0.745 41.536 40.800 -0.016 0.000 1.198 233 D HN 0.574 nan 8.370 nan 0.000 0.444 234 L N 2.285 123.508 121.223 -0.000 0.000 1.990 234 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 234 L C 2.270 179.158 176.870 0.029 0.000 1.072 234 L CA 1.644 56.500 54.840 0.026 0.000 0.755 234 L CB -0.721 41.356 42.059 0.030 0.000 0.889 234 L HN 0.504 nan 8.230 nan 0.000 0.432 235 L N -0.776 120.457 121.223 0.015 0.000 2.042 235 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 235 L C 2.437 179.305 176.870 -0.004 0.000 1.076 235 L CA 1.615 56.465 54.840 0.017 0.000 0.749 235 L CB -0.297 41.766 42.059 0.008 0.000 0.893 235 L HN 0.315 nan 8.230 nan 0.000 0.432 236 E N -0.965 119.217 120.200 -0.029 0.000 2.150 236 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 236 E C 2.152 178.683 176.600 -0.115 0.000 0.985 236 E CA 1.348 57.707 56.400 -0.069 0.000 0.814 236 E CB -0.145 29.511 29.700 -0.074 0.000 0.752 236 E HN 0.454 nan 8.360 nan 0.000 0.466 237 M N -0.080 119.467 119.600 -0.088 0.000 2.175 237 M HA -0.133 4.347 4.480 -0.001 0.000 0.264 237 M C 1.920 178.177 176.300 -0.071 0.000 1.063 237 M CA 1.276 56.510 55.300 -0.111 0.000 1.119 237 M CB -0.189 32.372 32.600 -0.064 0.000 1.377 237 M HN 0.109 nan 8.290 nan 0.000 0.415 238 E N 0.301 120.501 120.200 -0.001 0.000 2.058 238 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 238 E C 2.017 178.635 176.600 0.032 0.000 0.997 238 E CA 1.323 57.753 56.400 0.050 0.000 0.801 238 E CB -0.169 29.591 29.700 0.100 0.000 0.746 238 E HN 0.576 nan 8.360 nan 0.000 0.450 239 Q N 0.245 120.038 119.800 -0.013 0.000 2.135 239 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 239 Q C 2.167 178.116 176.000 -0.084 0.000 0.981 239 Q CA 1.327 57.112 55.803 -0.030 0.000 0.856 239 Q CB -0.074 28.642 28.738 -0.036 0.000 0.902 239 Q HN 0.143 nan 8.270 nan 0.000 0.425 240 R N -0.015 120.359 120.500 -0.211 0.000 2.093 240 R HA -0.006 4.334 4.340 -0.001 0.000 0.224 240 R C 2.235 178.438 176.300 -0.162 0.000 1.101 240 R CA 0.664 56.511 56.100 -0.421 0.000 0.979 240 R CB -0.128 29.529 30.300 -1.072 0.000 0.877 240 R HN 0.199 nan 8.270 nan 0.000 0.441 241 L N 0.657 121.829 121.223 -0.085 0.000 2.012 241 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 241 L C 2.591 179.383 176.870 -0.131 0.000 1.073 241 L CA 1.539 56.391 54.840 0.020 0.000 0.748 241 L CB -0.399 41.769 42.059 0.181 0.000 0.891 241 L HN 0.305 nan 8.230 nan 0.000 0.431 242 E N -0.057 120.066 120.200 -0.127 0.000 2.077 242 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 242 E C 2.223 178.709 176.600 -0.191 0.000 0.989 242 E CA 1.341 57.558 56.400 -0.306 0.000 0.800 242 E CB 0.145 29.803 29.700 -0.070 0.000 0.746 242 E HN 0.257 nan 8.360 nan 0.000 0.452 243 V N 1.443 121.339 119.914 -0.029 0.000 2.287 243 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 243 V C 2.465 178.609 176.094 0.084 0.000 1.053 243 V CA 1.644 63.991 62.300 0.078 0.000 1.027 243 V CB -0.487 31.480 31.823 0.240 0.000 0.646 243 V HN 0.347 nan 8.190 nan 0.000 0.447 244 L N -0.099 121.186 121.223 0.103 0.000 2.046 244 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 244 L C 2.738 179.594 176.870 -0.022 0.000 1.077 244 L CA 1.622 56.517 54.840 0.092 0.000 0.747 244 L CB -0.856 41.260 42.059 0.094 0.000 0.896 244 L HN 0.367 nan 8.230 nan 0.000 0.432 245 A N 0.000 122.703 122.820 -0.194 0.000 1.858 245 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 245 A C 1.931 179.438 177.584 -0.128 0.000 1.190 245 A CA 1.963 53.850 52.037 -0.251 0.000 0.617 245 A CB -0.673 17.903 19.000 -0.706 0.000 0.827 245 A HN 0.337 nan 8.150 nan 0.000 0.443 246 D N -0.092 120.229 120.400 -0.131 0.000 2.203 246 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 246 D C 1.577 177.872 176.300 -0.007 0.000 0.997 246 D CA 1.091 55.060 54.000 -0.052 0.000 0.863 246 D CB -0.269 40.510 40.800 -0.035 0.000 0.928 246 D HN 0.459 nan 8.370 nan 0.000 0.458 247 L N -0.945 120.285 121.223 0.012 0.000 2.591 247 L HA 0.171 4.510 4.340 -0.001 0.000 0.228 247 L C 1.432 178.328 176.870 0.043 0.000 1.133 247 L CA 0.298 55.161 54.840 0.038 0.000 0.880 247 L CB 0.021 42.121 42.059 0.067 0.000 1.033 247 L HN 0.102 nan 8.230 nan 0.000 0.450 248 G N 0.688 109.507 108.800 0.032 0.000 2.179 248 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.257 248 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.257 248 G C 0.252 175.190 174.900 0.063 0.000 1.010 248 G CA 0.071 45.196 45.100 0.043 0.000 0.736 248 G HN 0.240 nan 8.290 nan 0.000 0.513 249 L N -1.454 119.817 121.223 0.081 0.000 2.475 249 L HA 0.482 4.821 4.340 -0.001 0.000 0.253 249 L C 1.718 178.630 176.870 0.070 0.000 1.198 249 L CA -0.017 54.894 54.840 0.119 0.000 0.814 249 L CB 0.595 42.772 42.059 0.196 0.000 1.134 249 L HN 0.101 nan 8.230 nan 0.000 0.478 250 K N -1.345 119.100 120.400 0.074 0.000 2.425 250 K HA 0.209 4.529 4.320 -0.001 0.000 0.201 250 K C -0.479 175.971 176.600 -0.250 0.000 1.128 250 K CA -0.059 56.190 56.287 -0.063 0.000 1.000 250 K CB 0.624 33.113 32.500 -0.019 0.000 0.961 250 K HN 0.438 nan 8.250 nan 0.000 0.555 251 H N -0.526 118.502 119.070 -0.070 0.000 2.690 251 H HA 0.568 5.124 4.556 -0.001 0.000 0.368 251 H C -1.355 173.878 175.328 -0.158 0.000 1.150 251 H CA -0.709 55.255 56.048 -0.141 0.000 1.174 251 H CB 2.076 31.795 29.762 -0.072 0.000 1.684 251 H HN 0.093 nan 8.280 nan 0.000 0.538 252 A N 3.323 126.106 122.820 -0.062 0.000 2.343 252 A HA 0.463 4.782 4.320 -0.001 0.000 0.308 252 A C -0.691 176.840 177.584 -0.089 0.000 1.092 252 A CA -0.757 51.233 52.037 -0.078 0.000 0.751 252 A CB 0.766 19.735 19.000 -0.052 0.000 1.203 252 A HN 0.729 nan 8.150 nan 0.000 0.452 253 M N 3.779 123.322 119.600 -0.094 0.000 2.264 253 M HA 0.648 5.128 4.480 -0.001 0.000 0.352 253 M C -1.742 174.515 176.300 -0.072 0.000 1.173 253 M CA -0.300 54.968 55.300 -0.055 0.000 1.075 253 M CB 1.000 33.600 32.600 -0.000 0.000 1.621 253 M HN 0.383 nan 8.290 nan 0.000 0.457 254 V N 3.960 123.815 119.914 -0.099 0.000 2.588 254 V HA 0.288 4.407 4.120 -0.001 0.000 0.304 254 V C -1.013 174.996 176.094 -0.141 0.000 1.042 254 V CA -0.893 61.334 62.300 -0.122 0.000 0.877 254 V CB 2.083 33.822 31.823 -0.141 0.000 0.996 254 V HN 0.754 nan 8.190 nan 0.000 0.425 255 D N 3.301 123.627 120.400 -0.122 0.000 2.416 255 D HA 0.103 4.742 4.640 -0.001 0.000 0.240 255 D C 1.276 177.475 176.300 -0.168 0.000 1.250 255 D CA 0.091 54.022 54.000 -0.114 0.000 0.967 255 D CB 1.386 42.132 40.800 -0.090 0.000 1.059 255 D HN 0.474 nan 8.370 nan 0.000 0.512 256 V N 0.737 120.482 119.914 -0.282 0.000 2.427 256 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 256 V C 1.921 177.812 176.094 -0.339 0.000 1.051 256 V CA 0.939 62.984 62.300 -0.425 0.000 1.048 256 V CB -0.694 30.595 31.823 -0.890 0.000 0.666 256 V HN 0.286 nan 8.190 nan 0.000 0.456 257 V N 0.412 120.200 119.914 -0.211 0.000 2.358 257 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 257 V C 2.517 178.574 176.094 -0.061 0.000 1.047 257 V CA 2.446 64.712 62.300 -0.056 0.000 1.035 257 V CB -0.527 31.362 31.823 0.109 0.000 0.658 257 V HN 0.451 nan 8.190 nan 0.000 0.452 258 I N -0.142 120.397 120.570 -0.053 0.000 2.252 258 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 258 I C 2.544 178.622 176.117 -0.065 0.000 1.102 258 I CA 1.637 62.914 61.300 -0.038 0.000 1.385 258 I CB -0.490 37.490 38.000 -0.033 0.000 1.064 258 I HN 0.293 nan 8.210 nan 0.000 0.414 259 T N 0.266 114.760 114.554 -0.100 0.000 2.720 259 T HA 0.031 4.381 4.350 -0.001 0.000 0.268 259 T C 0.929 175.575 174.700 -0.090 0.000 1.037 259 T CA 1.257 63.304 62.100 -0.089 0.000 1.144 259 T CB -0.526 68.279 68.868 -0.105 0.000 0.864 259 T HN 0.670 nan 8.240 nan 0.000 0.444 260 G N -0.668 108.025 108.800 -0.177 0.000 2.707 260 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.686 260 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.686 260 G C 0.070 174.863 174.900 -0.177 0.000 1.315 260 G CA -0.275 44.692 45.100 -0.222 0.000 0.832 260 G HN 0.385 nan 8.290 nan 0.000 0.573 261 W N 0.476 121.833 121.300 0.095 0.000 2.584 261 W HA 0.258 4.917 4.660 -0.000 0.000 0.264 261 W C 2.482 179.051 176.519 0.083 0.000 1.264 261 W CA 0.937 58.342 57.345 0.099 0.000 1.306 261 W CB -0.036 29.464 29.460 0.067 0.000 1.110 261 W HN 0.918 nan 8.180 nan 0.000 0.606 262 G N 0.423 109.372 108.800 0.248 0.000 2.422 262 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.218 262 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.218 262 G C 1.450 176.426 174.900 0.127 0.000 1.140 262 G CA 1.156 46.353 45.100 0.162 0.000 0.775 262 G HN 0.272 nan 8.290 nan 0.000 0.545 263 A N -0.860 122.032 122.820 0.120 0.000 2.469 263 A HA 0.540 4.860 4.320 -0.001 0.000 0.245 263 A C 1.749 179.432 177.584 0.165 0.000 1.221 263 A CA -0.102 52.015 52.037 0.132 0.000 0.946 263 A CB 0.125 19.186 19.000 0.101 0.000 1.049 263 A HN 0.228 nan 8.150 nan 0.000 0.529 264 L N 0.147 121.459 121.223 0.149 0.000 2.093 264 L HA 0.047 4.386 4.340 -0.001 0.000 0.208 264 L C 2.261 179.219 176.870 0.147 0.000 1.085 264 L CA 1.903 56.817 54.840 0.125 0.000 0.755 264 L CB -0.570 41.573 42.059 0.140 0.000 0.904 264 L HN 0.491 nan 8.230 nan 0.000 0.435 265 R N -2.146 118.470 120.500 0.192 0.000 2.092 265 R HA -0.224 4.115 4.340 -0.001 0.000 0.231 265 R C 2.341 178.726 176.300 0.142 0.000 1.119 265 R CA 1.447 57.650 56.100 0.171 0.000 0.970 265 R CB -0.400 30.003 30.300 0.172 0.000 0.864 265 R HN 0.422 nan 8.270 nan 0.000 0.440 266 Y N 1.143 121.466 120.300 0.037 0.000 2.145 266 Y HA -0.207 4.342 4.550 -0.001 0.000 0.286 266 Y C 1.941 177.838 175.900 -0.004 0.000 1.145 266 Y CA 1.412 59.517 58.100 0.009 0.000 1.148 266 Y CB -0.171 38.292 38.460 0.006 0.000 0.981 266 Y HN -0.026 nan 8.280 nan 0.000 0.507 267 I N 0.824 121.366 120.570 -0.047 0.000 2.264 267 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 267 I C 2.602 178.632 176.117 -0.145 0.000 1.111 267 I CA 1.570 62.785 61.300 -0.141 0.000 1.382 267 I CB -1.256 36.727 38.000 -0.028 0.000 1.060 267 I HN 0.311 nan 8.210 nan 0.000 0.418 268 R N 1.246 121.707 120.500 -0.065 0.000 2.090 268 R HA -0.158 4.182 4.340 -0.001 0.000 0.228 268 R C 1.521 177.781 176.300 -0.068 0.000 1.110 268 R CA 1.533 57.611 56.100 -0.037 0.000 0.973 268 R CB -0.263 30.054 30.300 0.030 0.000 0.869 268 R HN 0.302 nan 8.270 nan 0.000 0.440 269 D N 0.830 121.168 120.400 -0.103 0.000 2.149 269 D HA -0.130 4.510 4.640 -0.001 0.000 0.201 269 D C 1.880 178.040 176.300 -0.234 0.000 0.972 269 D CA 0.561 54.486 54.000 -0.126 0.000 0.835 269 D CB -0.166 40.579 40.800 -0.091 0.000 0.966 269 D HN 0.128 nan 8.370 nan 0.000 0.476 270 L N 1.220 122.214 121.223 -0.381 0.000 1.994 270 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 270 L C 2.202 178.858 176.870 -0.357 0.000 1.071 270 L CA 1.745 56.295 54.840 -0.484 0.000 0.745 270 L CB -0.926 40.776 42.059 -0.594 0.000 0.892 270 L HN -0.025 nan 8.230 nan 0.000 0.431 271 A N -0.636 122.086 122.820 -0.162 0.000 1.908 271 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 271 A C 2.447 180.047 177.584 0.027 0.000 1.181 271 A CA 2.168 54.201 52.037 -0.007 0.000 0.627 271 A CB -1.240 17.755 19.000 -0.008 0.000 0.818 271 A HN 0.581 nan 8.150 nan 0.000 0.445 272 A N 0.056 122.868 122.820 -0.013 0.000 1.865 272 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 272 A C 1.800 179.383 177.584 -0.003 0.000 1.191 272 A CA 2.012 54.065 52.037 0.027 0.000 0.623 272 A CB -0.795 18.198 19.000 -0.012 0.000 0.826 272 A HN 0.461 nan 8.150 nan 0.000 0.444 273 D N -1.174 119.162 120.400 -0.107 0.000 2.149 273 D HA -0.178 4.462 4.640 -0.001 0.000 0.194 273 D C 1.459 177.742 176.300 -0.028 0.000 1.001 273 D CA 1.464 55.385 54.000 -0.131 0.000 0.849 273 D CB -0.421 40.209 40.800 -0.284 0.000 0.939 273 D HN 0.576 nan 8.370 nan 0.000 0.449 274 Y N -0.149 120.156 120.300 0.008 0.000 2.583 274 Y HA 0.226 4.775 4.550 -0.001 0.000 0.293 274 Y C 1.822 177.755 175.900 0.056 0.000 1.157 274 Y CA 0.370 58.483 58.100 0.022 0.000 1.315 274 Y CB -0.322 38.142 38.460 0.006 0.000 1.021 274 Y HN 0.029 nan 8.280 nan 0.000 0.536 275 G N 0.789 109.730 108.800 0.235 0.000 2.246 275 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.273 275 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.273 275 G C -0.283 174.783 174.900 0.277 0.000 1.055 275 G CA 0.044 45.324 45.100 0.301 0.000 0.851 275 G HN 0.287 nan 8.290 nan 0.000 0.500 276 L N 0.186 121.514 121.223 0.174 0.000 2.295 276 L HA 0.735 5.074 4.340 -0.001 0.000 0.285 276 L C 0.913 177.641 176.870 -0.236 0.000 1.035 276 L CA -0.580 54.217 54.840 -0.072 0.000 0.806 276 L CB 1.741 43.797 42.059 -0.004 0.000 1.214 276 L HN 0.328 nan 8.230 nan 0.000 0.426 277 A N 4.906 127.271 122.820 -0.759 0.000 2.371 277 A HA 0.642 4.961 4.320 -0.001 0.000 0.257 277 A C -0.255 177.098 177.584 -0.385 0.000 1.089 277 A CA -0.316 51.265 52.037 -0.759 0.000 0.794 277 A CB 0.179 18.406 19.000 -1.289 0.000 1.029 277 A HN 0.665 nan 8.150 nan 0.000 0.488 278 I N 1.636 122.098 120.570 -0.180 0.000 2.354 278 I HA 0.210 4.380 4.170 -0.001 0.000 0.292 278 I C -0.256 175.783 176.117 -0.130 0.000 0.989 278 I CA -0.428 60.798 61.300 -0.123 0.000 1.188 278 I CB 1.326 39.271 38.000 -0.092 0.000 1.342 278 I HN 0.786 nan 8.210 nan 0.000 0.457 279 H N 4.776 123.674 119.070 -0.287 0.000 2.594 279 H HA 0.505 5.060 4.556 -0.001 0.000 0.304 279 H C 0.074 175.262 175.328 -0.233 0.000 1.068 279 H CA -0.344 55.466 56.048 -0.396 0.000 1.308 279 H CB 1.248 30.539 29.762 -0.784 0.000 1.409 279 H HN 0.714 nan 8.280 nan 0.000 0.460 280 G N 4.710 113.132 108.800 -0.630 0.000 2.329 280 G HA2 0.143 4.103 3.960 -0.001 0.000 0.309 280 G HA3 0.143 4.103 3.960 -0.001 0.000 0.309 280 G C -1.000 173.603 174.900 -0.495 0.000 1.110 280 G CA -0.411 44.397 45.100 -0.486 0.000 0.923 280 G HN 0.740 nan 8.290 nan 0.000 0.430 281 H N 2.544 121.339 119.070 -0.458 0.000 2.458 281 H HA 0.259 4.815 4.556 -0.000 0.000 0.330 281 H C 0.812 175.922 175.328 -0.364 0.000 1.111 281 H CA -0.623 55.131 56.048 -0.490 0.000 1.245 281 H CB 1.491 31.039 29.762 -0.356 0.000 1.456 281 H HN 0.650 nan 8.280 nan 0.000 0.488 282 R N 2.975 123.175 120.500 -0.500 0.000 2.466 282 R HA 0.402 4.742 4.340 -0.001 0.000 0.279 282 R C 0.352 176.683 176.300 0.050 0.000 0.976 282 R CA -0.339 55.639 56.100 -0.204 0.000 1.081 282 R CB 0.133 30.260 30.300 -0.289 0.000 1.215 282 R HN 0.373 nan 8.270 nan 0.000 0.546 283 A N 1.815 124.749 122.820 0.189 0.000 2.608 283 A HA 0.002 4.322 4.320 -0.001 0.000 0.239 283 A C 0.954 178.573 177.584 0.058 0.000 1.018 283 A CA 1.230 53.374 52.037 0.178 0.000 0.766 283 A CB -0.245 18.857 19.000 0.170 0.000 0.928 283 A HN 0.855 nan 8.150 nan 0.000 0.512 284 M N 0.422 120.003 119.600 -0.031 0.000 3.011 284 M HA -0.302 4.178 4.480 -0.001 0.000 0.211 284 M C 1.039 177.190 176.300 -0.247 0.000 0.583 284 M CA 1.998 57.248 55.300 -0.083 0.000 0.808 284 M CB -2.033 30.580 32.600 0.021 0.000 2.882 284 M HN 1.296 nan 8.290 nan 0.000 0.294 285 H N -0.195 118.707 119.070 -0.281 0.000 2.352 285 H HA 0.202 4.757 4.556 -0.001 0.000 0.299 285 H C 1.705 176.534 175.328 -0.831 0.000 1.097 285 H CA 2.203 57.861 56.048 -0.650 0.000 1.311 285 H CB -0.770 28.786 29.762 -0.345 0.000 1.377 285 H HN 0.515 nan 8.280 nan 0.000 0.504 286 A N 1.110 123.128 122.820 -1.337 0.000 2.178 286 A HA 0.083 4.403 4.320 -0.001 0.000 0.218 286 A C 2.546 179.864 177.584 -0.442 0.000 1.157 286 A CA 1.076 52.631 52.037 -0.803 0.000 0.689 286 A CB -1.148 17.455 19.000 -0.662 0.000 0.787 286 A HN 0.750 nan 8.150 nan 0.000 0.465 287 A N -0.604 121.964 122.820 -0.420 0.000 2.070 287 A HA 0.126 4.446 4.320 -0.001 0.000 0.220 287 A C 1.523 179.093 177.584 -0.022 0.000 1.159 287 A CA 1.531 53.478 52.037 -0.149 0.000 0.656 287 A CB -0.553 18.439 19.000 -0.013 0.000 0.800 287 A HN 1.156 nan 8.150 nan 0.000 0.453 288 F N -3.333 116.597 119.950 -0.033 0.000 2.871 288 F HA 0.213 4.740 4.527 -0.001 0.000 0.344 288 F C 1.470 177.265 175.800 -0.009 0.000 1.078 288 F CA 0.575 58.551 58.000 -0.039 0.000 1.149 288 F CB -0.473 38.470 39.000 -0.095 0.000 1.087 288 F HN 0.022 nan 8.300 nan 0.000 0.557 289 T N -2.587 111.852 114.554 -0.191 0.000 3.044 289 T HA 0.183 4.533 4.350 -0.001 0.000 0.250 289 T C 1.761 176.473 174.700 0.021 0.000 1.081 289 T CA 0.493 62.600 62.100 0.011 0.000 1.040 289 T CB -0.053 68.843 68.868 0.047 0.000 0.962 289 T HN 0.380 nan 8.240 nan 0.000 0.506 290 R N 1.384 121.871 120.500 -0.021 0.000 2.080 290 R HA 0.146 4.485 4.340 -0.001 0.000 0.222 290 R C 0.697 177.014 176.300 0.029 0.000 1.107 290 R CA 0.277 56.374 56.100 -0.006 0.000 0.980 290 R CB -0.141 30.134 30.300 -0.042 0.000 0.879 290 R HN 0.246 nan 8.270 nan 0.000 0.439 291 N N 1.709 120.448 118.700 0.066 0.000 2.416 291 N HA 0.009 4.748 4.740 -0.001 0.000 0.271 291 N C -2.059 173.510 175.510 0.098 0.000 1.245 291 N CA -1.545 51.575 53.050 0.116 0.000 0.940 291 N CB 1.503 40.099 38.487 0.181 0.000 1.175 291 N HN 0.047 nan 8.380 nan 0.000 0.483 292 P HA -0.071 nan 4.420 nan 0.000 0.226 292 P C -0.064 177.085 177.300 -0.251 0.000 1.146 292 P CA 1.220 64.219 63.100 -0.169 0.000 0.773 292 P CB 0.011 31.529 31.700 -0.304 0.000 0.772 293 Y N -3.198 117.191 120.300 0.148 0.000 2.481 293 Y HA 0.311 4.861 4.550 -0.001 0.000 0.247 293 Y C 0.517 176.591 175.900 0.289 0.000 1.151 293 Y CA -0.158 58.056 58.100 0.191 0.000 1.238 293 Y CB 0.257 38.812 38.460 0.158 0.000 1.179 293 Y HN -0.024 nan 8.280 nan 0.000 0.524 294 H N -0.950 118.271 119.070 0.252 0.000 3.155 294 H HA 0.530 5.086 4.556 -0.001 0.000 0.328 294 H C -0.045 175.396 175.328 0.189 0.000 1.059 294 H CA -0.180 56.018 56.048 0.250 0.000 1.378 294 H CB 0.902 30.795 29.762 0.219 0.000 1.998 294 H HN 0.250 nan 8.280 nan 0.000 0.480 295 G N 2.482 111.136 108.800 -0.243 0.000 2.265 295 G HA2 0.010 3.970 3.960 -0.001 0.000 0.246 295 G HA3 0.010 3.970 3.960 -0.001 0.000 0.246 295 G C -1.543 173.356 174.900 -0.002 0.000 1.299 295 G CA -0.372 44.587 45.100 -0.235 0.000 1.117 295 G HN 0.632 nan 8.290 nan 0.000 0.485 296 I N 1.028 121.686 120.570 0.146 0.000 2.466 296 I HA 0.516 4.685 4.170 -0.001 0.000 0.289 296 I C 0.640 176.918 176.117 0.268 0.000 1.026 296 I CA -0.708 60.730 61.300 0.229 0.000 1.078 296 I CB 2.039 40.145 38.000 0.175 0.000 1.249 296 I HN 0.625 nan 8.210 nan 0.000 0.429 297 S N 4.566 120.380 115.700 0.192 0.000 2.562 297 S HA 0.078 4.548 4.470 -0.001 0.000 0.281 297 S C 1.025 175.732 174.600 0.177 0.000 1.333 297 S CA -0.427 57.869 58.200 0.161 0.000 1.052 297 S CB 0.699 63.985 63.200 0.143 0.000 0.884 297 S HN 0.645 nan 8.310 nan 0.000 0.506 298 M N 5.184 124.863 119.600 0.132 0.000 2.358 298 M HA 0.022 4.501 4.480 -0.001 0.000 0.264 298 M C 1.180 177.517 176.300 0.061 0.000 1.064 298 M CA 1.531 56.875 55.300 0.074 0.000 1.093 298 M CB -0.887 31.706 32.600 -0.012 0.000 1.401 298 M HN 0.845 nan 8.290 nan 0.000 0.440 299 F N -0.768 119.150 119.950 -0.052 0.000 2.171 299 F HA -0.167 4.360 4.527 -0.001 0.000 0.300 299 F C 1.750 177.479 175.800 -0.118 0.000 1.090 299 F CA 1.556 59.486 58.000 -0.116 0.000 1.293 299 F CB -0.248 38.680 39.000 -0.120 0.000 1.013 299 F HN -0.022 nan 8.300 nan 0.000 0.486 300 V N -0.196 119.768 119.914 0.082 0.000 2.323 300 V HA -0.264 3.856 4.120 -0.001 0.000 0.244 300 V C 2.331 178.330 176.094 -0.159 0.000 1.041 300 V CA 1.308 63.574 62.300 -0.057 0.000 1.025 300 V CB -0.716 31.110 31.823 0.005 0.000 0.656 300 V HN 0.236 nan 8.190 nan 0.000 0.451 301 L N 0.692 121.881 121.223 -0.056 0.000 2.021 301 L HA -0.233 4.106 4.340 -0.001 0.000 0.215 301 L C 2.638 179.385 176.870 -0.205 0.000 1.074 301 L CA 2.499 57.267 54.840 -0.120 0.000 0.760 301 L CB -1.428 40.694 42.059 0.104 0.000 0.889 301 L HN 0.323 nan 8.230 nan 0.000 0.433 302 A N -0.966 121.766 122.820 -0.147 0.000 1.883 302 A HA -0.299 4.021 4.320 -0.001 0.000 0.217 302 A C 2.460 179.892 177.584 -0.254 0.000 1.186 302 A CA 2.193 54.128 52.037 -0.171 0.000 0.624 302 A CB -0.579 18.256 19.000 -0.276 0.000 0.822 302 A HN 0.438 nan 8.150 nan 0.000 0.444 303 K N -0.299 119.875 120.400 -0.377 0.000 2.026 303 K HA -0.084 4.235 4.320 -0.001 0.000 0.208 303 K C 1.941 178.361 176.600 -0.301 0.000 1.048 303 K CA 1.493 57.579 56.287 -0.335 0.000 0.929 303 K CB -0.334 31.927 32.500 -0.398 0.000 0.713 303 K HN 0.488 nan 8.250 nan 0.000 0.439 304 L N 0.012 121.024 121.223 -0.351 0.000 2.046 304 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 304 L C 2.421 179.195 176.870 -0.161 0.000 1.077 304 L CA 1.191 55.828 54.840 -0.338 0.000 0.747 304 L CB -0.625 41.236 42.059 -0.329 0.000 0.896 304 L HN 0.208 nan 8.230 nan 0.000 0.432 305 Y N -0.195 120.109 120.300 0.006 0.000 2.242 305 Y HA -0.171 4.379 4.550 -0.001 0.000 0.291 305 Y C 2.792 178.649 175.900 -0.073 0.000 1.137 305 Y CA 0.897 58.989 58.100 -0.015 0.000 1.181 305 Y CB -0.650 37.774 38.460 -0.061 0.000 0.989 305 Y HN 0.098 nan 8.280 nan 0.000 0.527 306 R N 0.518 121.018 120.500 0.001 0.000 2.073 306 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 306 R C 2.037 178.301 176.300 -0.060 0.000 1.134 306 R CA 1.459 57.518 56.100 -0.069 0.000 0.952 306 R CB -0.540 29.650 30.300 -0.184 0.000 0.850 306 R HN 0.343 nan 8.270 nan 0.000 0.433 307 L N 0.572 121.704 121.223 -0.151 0.000 1.989 307 L HA -0.234 4.106 4.340 -0.001 0.000 0.211 307 L C 2.586 179.413 176.870 -0.070 0.000 1.071 307 L CA 1.515 56.176 54.840 -0.298 0.000 0.749 307 L CB -0.496 40.970 42.059 -0.989 0.000 0.890 307 L HN 0.266 nan 8.230 nan 0.000 0.431 308 I N -0.433 120.152 120.570 0.025 0.000 2.194 308 I HA -0.231 3.938 4.170 -0.001 0.000 0.246 308 I C 1.381 177.613 176.117 0.193 0.000 1.093 308 I CA 1.527 62.995 61.300 0.279 0.000 1.355 308 I CB -0.448 37.740 38.000 0.313 0.000 1.046 308 I HN 0.555 nan 8.210 nan 0.000 0.413 309 G N 0.657 109.527 108.800 0.117 0.000 2.192 309 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.152 309 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.152 309 G C -0.058 174.869 174.900 0.046 0.000 1.057 309 G CA -0.797 44.349 45.100 0.076 0.000 0.748 309 G HN 0.052 nan 8.290 nan 0.000 0.488 310 I N 1.716 122.305 120.570 0.031 0.000 2.505 310 I HA 0.151 4.321 4.170 -0.001 0.000 0.287 310 I C 0.995 177.093 176.117 -0.031 0.000 1.104 310 I CA -0.180 61.102 61.300 -0.030 0.000 1.387 310 I CB 0.572 38.521 38.000 -0.085 0.000 1.404 310 I HN 0.142 nan 8.210 nan 0.000 0.528 311 D N 5.104 125.489 120.400 -0.024 0.000 2.224 311 D HA -0.073 4.566 4.640 -0.001 0.000 0.205 311 D C 0.316 176.636 176.300 0.033 0.000 0.965 311 D CA 1.179 55.191 54.000 0.019 0.000 0.852 311 D CB 0.557 41.384 40.800 0.045 0.000 0.947 311 D HN 0.629 nan 8.370 nan 0.000 0.494 312 Q N -0.018 119.758 119.800 -0.040 0.000 2.315 312 Q HA 0.593 4.932 4.340 -0.001 0.000 0.273 312 Q C -1.480 174.396 176.000 -0.207 0.000 1.053 312 Q CA -0.651 55.128 55.803 -0.039 0.000 0.817 312 Q CB 3.117 31.851 28.738 -0.007 0.000 1.326 312 Q HN -0.067 nan 8.270 nan 0.000 0.423 313 L N 0.952 122.082 121.223 -0.154 0.000 2.482 313 L HA 0.394 4.733 4.340 -0.001 0.000 0.263 313 L C -1.314 175.493 176.870 -0.104 0.000 0.957 313 L CA -0.222 54.514 54.840 -0.173 0.000 0.836 313 L CB 1.910 43.892 42.059 -0.127 0.000 1.324 313 L HN 0.687 nan 8.230 nan 0.000 0.406 314 H N 3.866 122.769 119.070 -0.279 0.000 2.764 314 H HA 0.295 4.851 4.556 -0.001 0.000 0.341 314 H C 0.518 175.722 175.328 -0.207 0.000 1.072 314 H CA 0.569 56.488 56.048 -0.215 0.000 1.444 314 H CB 1.630 31.220 29.762 -0.288 0.000 1.458 314 H HN 0.630 nan 8.280 nan 0.000 0.572 315 V N 0.027 119.899 119.914 -0.070 0.000 3.451 315 V HA 0.457 4.577 4.120 -0.001 0.000 0.288 315 V C 0.855 176.907 176.094 -0.071 0.000 1.502 315 V CA 0.382 62.629 62.300 -0.088 0.000 1.026 315 V CB 0.471 32.251 31.823 -0.072 0.000 0.840 315 V HN 1.064 nan 8.190 nan 0.000 0.437 316 G N 1.296 110.066 108.800 -0.049 0.000 2.434 316 G HA2 0.070 4.030 3.960 -0.001 0.000 0.671 316 G HA3 0.070 4.030 3.960 -0.001 0.000 0.671 316 G C 0.213 175.100 174.900 -0.022 0.000 1.280 316 G CA 0.426 45.511 45.100 -0.024 0.000 0.975 316 G HN 1.121 nan 8.290 nan 0.000 0.510 317 T N -2.625 111.920 114.554 -0.015 0.000 3.010 317 T HA 0.635 4.985 4.350 -0.001 0.000 0.257 317 T C 1.412 176.102 174.700 -0.017 0.000 1.020 317 T CA 1.676 63.763 62.100 -0.022 0.000 0.938 317 T CB 0.555 69.405 68.868 -0.030 0.000 1.049 317 T HN 2.723 nan 8.240 nan 0.000 0.522 318 A N 0.458 123.273 122.820 -0.008 0.000 3.091 318 A HA 0.291 4.610 4.320 -0.001 0.000 0.271 318 A C 1.672 179.256 177.584 0.000 0.000 1.400 318 A CA 0.854 52.891 52.037 -0.001 0.000 0.757 318 A CB -2.222 16.778 19.000 -0.000 0.000 1.032 318 A HN 2.113 nan 8.150 nan 0.000 0.519 319 G N -2.198 106.602 108.800 0.001 0.000 2.205 319 G HA2 0.067 4.026 3.960 -0.001 0.000 0.261 319 G HA3 0.067 4.026 3.960 -0.001 0.000 0.261 319 G C 1.473 176.372 174.900 -0.001 0.000 0.980 319 G CA 1.341 46.444 45.100 0.004 0.000 0.632 319 G HN 2.406 nan 8.290 nan 0.000 0.533 320 A N 0.142 122.953 122.820 -0.015 0.000 2.169 320 A HA 0.630 4.949 4.320 -0.001 0.000 0.212 320 A C 1.659 179.217 177.584 -0.044 0.000 1.153 320 A CA 1.899 53.917 52.037 -0.032 0.000 0.756 320 A CB -0.146 18.820 19.000 -0.057 0.000 0.813 320 A HN 1.726 nan 8.150 nan 0.000 0.471 321 G N -0.741 108.042 108.800 -0.029 0.000 2.753 321 G HA2 0.436 4.395 3.960 -0.001 0.000 0.285 321 G HA3 0.436 4.395 3.960 -0.001 0.000 0.285 321 G C 0.516 175.412 174.900 -0.006 0.000 1.344 321 G CA 0.028 45.111 45.100 -0.028 0.000 1.050 321 G HN 0.299 nan 8.290 nan 0.000 0.532 322 K N -1.341 119.058 120.400 -0.001 0.000 2.400 322 K HA 0.279 4.599 4.320 -0.001 0.000 0.194 322 K C 0.453 177.063 176.600 0.016 0.000 1.033 322 K CA 0.208 56.501 56.287 0.010 0.000 1.021 322 K CB -0.008 32.499 32.500 0.012 0.000 0.808 322 K HN 0.202 nan 8.250 nan 0.000 0.505 323 L N 1.576 122.811 121.223 0.019 0.000 2.334 323 L HA 0.319 4.659 4.340 -0.001 0.000 0.272 323 L C 0.239 177.123 176.870 0.023 0.000 1.020 323 L CA -1.182 53.673 54.840 0.024 0.000 0.812 323 L CB 1.441 43.525 42.059 0.042 0.000 1.264 323 L HN 0.128 nan 8.230 nan 0.000 0.439 324 E N 1.434 121.647 120.200 0.021 0.000 2.360 324 E HA 0.394 4.744 4.350 -0.001 0.000 0.269 324 E C -0.408 176.209 176.600 0.029 0.000 1.022 324 E CA 0.130 56.542 56.400 0.020 0.000 0.887 324 E CB 1.336 31.044 29.700 0.012 0.000 0.990 324 E HN 0.759 nan 8.360 nan 0.000 0.426 325 G N 2.075 110.887 108.800 0.019 0.000 1.787 325 G HA2 0.342 4.302 3.960 -0.001 0.000 0.235 325 G HA3 0.342 4.302 3.960 -0.001 0.000 0.235 325 G C -0.339 174.566 174.900 0.008 0.000 1.736 325 G CA -0.109 45.000 45.100 0.014 0.000 0.927 325 G HN 0.639 nan 8.290 nan 0.000 0.646 326 E N 1.877 122.079 120.200 0.004 0.000 2.392 326 E HA 0.513 4.862 4.350 -0.001 0.000 0.259 326 E C 1.405 178.010 176.600 0.009 0.000 1.108 326 E CA 0.330 56.733 56.400 0.006 0.000 0.916 326 E CB 0.650 30.352 29.700 0.003 0.000 0.989 326 E HN 0.845 nan 8.360 nan 0.000 0.432 327 R N 0.283 120.791 120.500 0.013 0.000 2.097 327 R HA -0.218 4.122 4.340 -0.001 0.000 0.236 327 R C 2.459 178.774 176.300 0.025 0.000 1.135 327 R CA 3.165 59.276 56.100 0.017 0.000 0.934 327 R CB -1.021 29.290 30.300 0.019 0.000 0.846 327 R HN 0.875 nan 8.270 nan 0.000 0.431 328 D N 0.655 121.073 120.400 0.031 0.000 2.127 328 D HA -0.203 4.437 4.640 -0.001 0.000 0.190 328 D C 1.947 178.275 176.300 0.046 0.000 1.000 328 D CA 1.962 55.989 54.000 0.047 0.000 0.839 328 D CB -0.609 40.223 40.800 0.053 0.000 0.955 328 D HN 0.399 nan 8.370 nan 0.000 0.446 329 I N 0.747 121.329 120.570 0.021 0.000 2.151 329 I HA -0.236 3.933 4.170 -0.001 0.000 0.243 329 I C 2.933 179.069 176.117 0.032 0.000 1.080 329 I CA 2.058 63.368 61.300 0.016 0.000 1.339 329 I CB -0.643 37.349 38.000 -0.014 0.000 1.039 329 I HN 0.263 nan 8.210 nan 0.000 0.409 330 T N 1.146 115.712 114.554 0.019 0.000 2.788 330 T HA -0.121 4.229 4.350 -0.001 0.000 0.268 330 T C 1.887 176.600 174.700 0.021 0.000 1.044 330 T CA 1.266 63.372 62.100 0.010 0.000 1.139 330 T CB -0.256 68.612 68.868 0.001 0.000 0.867 330 T HN 0.264 nan 8.240 nan 0.000 0.454 331 I N 0.951 121.543 120.570 0.037 0.000 2.226 331 I HA -0.190 3.980 4.170 -0.001 0.000 0.245 331 I C 2.821 178.986 176.117 0.079 0.000 1.100 331 I CA 1.039 62.370 61.300 0.052 0.000 1.374 331 I CB -0.363 37.673 38.000 0.060 0.000 1.057 331 I HN 0.153 nan 8.210 nan 0.000 0.413 332 Q N 0.642 120.504 119.800 0.103 0.000 2.084 332 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 332 Q C 1.968 178.054 176.000 0.144 0.000 0.978 332 Q CA 1.310 57.212 55.803 0.165 0.000 0.844 332 Q CB -0.754 28.014 28.738 0.050 0.000 0.898 332 Q HN 0.511 nan 8.270 nan 0.000 0.426 333 N N 1.059 119.803 118.700 0.074 0.000 2.061 333 N HA -0.167 4.572 4.740 -0.001 0.000 0.193 333 N C 1.659 177.093 175.510 -0.126 0.000 1.030 333 N CA 1.792 54.800 53.050 -0.072 0.000 0.856 333 N CB -0.481 37.974 38.487 -0.052 0.000 1.023 333 N HN 0.304 nan 8.380 nan 0.000 0.424 334 A N 1.455 124.242 122.820 -0.055 0.000 1.873 334 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 334 A C 2.246 179.790 177.584 -0.068 0.000 1.186 334 A CA 1.194 53.199 52.037 -0.054 0.000 0.616 334 A CB -0.459 18.534 19.000 -0.012 0.000 0.823 334 A HN 0.223 nan 8.150 nan 0.000 0.442 335 R N -1.176 119.320 120.500 -0.007 0.000 2.094 335 R HA -0.172 4.167 4.340 -0.001 0.000 0.239 335 R C 1.945 178.203 176.300 -0.070 0.000 1.137 335 R CA 1.702 57.834 56.100 0.052 0.000 0.943 335 R CB -0.604 29.846 30.300 0.250 0.000 0.850 335 R HN 0.503 nan 8.270 nan 0.000 0.433 336 I N 0.936 121.345 120.570 -0.267 0.000 2.614 336 I HA -0.158 4.012 4.170 -0.001 0.000 0.258 336 I C 1.837 177.639 176.117 -0.524 0.000 1.189 336 I CA 1.117 62.105 61.300 -0.520 0.000 1.462 336 I CB -0.003 37.366 38.000 -1.052 0.000 1.092 336 I HN 0.138 nan 8.210 nan 0.000 0.442 337 L N -0.806 120.183 121.223 -0.390 0.000 2.240 337 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 337 L C 2.437 179.087 176.870 -0.367 0.000 1.106 337 L CA 0.885 55.511 54.840 -0.357 0.000 0.793 337 L CB -0.309 41.618 42.059 -0.220 0.000 0.927 337 L HN 0.148 nan 8.230 nan 0.000 0.446 338 R N -0.670 119.655 120.500 -0.292 0.000 2.142 338 R HA 0.112 4.452 4.340 -0.001 0.000 0.204 338 R C 0.276 176.445 176.300 -0.219 0.000 1.059 338 R CA -0.034 55.927 56.100 -0.232 0.000 1.055 338 R CB 0.353 30.568 30.300 -0.142 0.000 0.976 338 R HN 0.287 nan 8.270 nan 0.000 0.483 339 E N 0.861 120.962 120.200 -0.166 0.000 2.354 339 E HA 0.006 4.355 4.350 -0.001 0.000 0.269 339 E C 0.579 177.158 176.600 -0.035 0.000 1.036 339 E CA -0.051 56.328 56.400 -0.035 0.000 0.876 339 E CB 1.314 31.088 29.700 0.124 0.000 1.009 339 E HN 0.153 nan 8.360 nan 0.000 0.416 340 S N 1.583 117.316 115.700 0.055 0.000 2.470 340 S HA -0.113 4.357 4.470 -0.001 0.000 0.225 340 S C 0.623 175.367 174.600 0.241 0.000 1.006 340 S CA 0.515 58.789 58.200 0.123 0.000 0.934 340 S CB -0.029 63.208 63.200 0.063 0.000 0.778 340 S HN 0.654 nan 8.310 nan 0.000 0.517 341 H N -0.164 118.989 119.070 0.139 0.000 2.917 341 H HA 0.358 4.913 4.556 -0.001 0.000 0.279 341 H C -1.576 173.861 175.328 0.181 0.000 1.211 341 H CA -1.087 55.037 56.048 0.127 0.000 1.534 341 H CB 0.339 30.113 29.762 0.020 0.000 1.581 341 H HN 0.330 nan 8.280 nan 0.000 0.510 342 Y N 4.472 124.995 120.300 0.372 0.000 2.402 342 Y HA 0.249 4.799 4.550 -0.001 0.000 0.333 342 Y C -0.863 175.213 175.900 0.294 0.000 1.076 342 Y CA -0.142 58.136 58.100 0.296 0.000 1.299 342 Y CB 0.428 39.083 38.460 0.325 0.000 1.197 342 Y HN 0.452 nan 8.280 nan 0.000 0.517 343 K N 8.610 128.754 120.400 -0.428 0.000 2.413 343 K HA 0.381 4.701 4.320 -0.001 0.000 0.257 343 K C -2.754 173.446 176.600 -0.667 0.000 0.946 343 K CA -2.013 54.041 56.287 -0.388 0.000 0.823 343 K CB 1.508 33.896 32.500 -0.187 0.000 1.109 343 K HN 0.449 nan 8.250 nan 0.000 0.427 344 P HA 0.043 nan 4.420 nan 0.000 0.275 344 P C -0.752 176.473 177.300 -0.125 0.000 1.228 344 P CA -0.300 62.652 63.100 -0.246 0.000 0.786 344 P CB 0.598 32.317 31.700 0.032 0.000 0.927 345 D N 1.139 121.507 120.400 -0.054 0.000 2.419 345 D HA -0.078 4.562 4.640 -0.001 0.000 0.236 345 D C 1.415 177.693 176.300 -0.036 0.000 1.165 345 D CA 0.152 54.132 54.000 -0.033 0.000 0.882 345 D CB 0.446 41.249 40.800 0.005 0.000 1.201 345 D HN 0.526 nan 8.370 nan 0.000 0.443 346 E N 0.884 121.060 120.200 -0.040 0.000 2.187 346 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 346 E C 0.680 177.245 176.600 -0.059 0.000 1.004 346 E CA 1.493 57.865 56.400 -0.047 0.000 0.813 346 E CB 0.075 29.753 29.700 -0.038 0.000 0.736 346 E HN 0.478 nan 8.360 nan 0.000 0.468 347 N N -0.055 118.616 118.700 -0.049 0.000 2.280 347 N HA -0.025 4.715 4.740 -0.001 0.000 0.192 347 N C -0.331 175.121 175.510 -0.095 0.000 1.109 347 N CA 0.014 53.023 53.050 -0.069 0.000 0.855 347 N CB 0.358 38.822 38.487 -0.037 0.000 0.974 347 N HN -0.053 nan 8.380 nan 0.000 0.482 348 D N 1.231 121.591 120.400 -0.066 0.000 2.344 348 D HA 0.005 4.644 4.640 -0.001 0.000 0.253 348 D C 1.073 177.238 176.300 -0.226 0.000 1.255 348 D CA -0.309 53.653 54.000 -0.062 0.000 0.894 348 D CB 1.246 42.098 40.800 0.088 0.000 1.067 348 D HN 0.109 nan 8.370 nan 0.000 0.492 349 V N 1.931 121.545 119.914 -0.501 0.000 3.649 349 V HA 0.165 4.285 4.120 -0.001 0.000 0.275 349 V C 1.095 176.806 176.094 -0.639 0.000 1.281 349 V CA 0.263 62.197 62.300 -0.610 0.000 1.143 349 V CB -0.975 30.396 31.823 -0.752 0.000 0.892 349 V HN 0.279 nan 8.190 nan 0.000 0.441 350 F N -0.028 119.684 119.950 -0.396 0.000 2.437 350 F HA 0.406 4.933 4.527 -0.001 0.000 0.288 350 F C 1.414 176.826 175.800 -0.646 0.000 1.085 350 F CA -0.070 57.557 58.000 -0.623 0.000 1.430 350 F CB -0.117 38.280 39.000 -1.005 0.000 1.120 350 F HN 0.256 nan 8.300 nan 0.000 0.556 351 H N 0.669 119.747 119.070 0.014 0.000 2.569 351 H HA 0.564 5.119 4.556 -0.001 0.000 0.357 351 H C -0.448 174.965 175.328 0.141 0.000 1.153 351 H CA -0.859 55.184 56.048 -0.008 0.000 1.193 351 H CB 1.847 31.509 29.762 -0.167 0.000 1.602 351 H HN -0.076 nan 8.280 nan 0.000 0.523 352 L N 0.860 122.289 121.223 0.344 0.000 2.344 352 L HA 0.241 4.580 4.340 -0.001 0.000 0.272 352 L C 0.896 178.007 176.870 0.401 0.000 1.035 352 L CA -0.807 54.195 54.840 0.270 0.000 0.807 352 L CB 1.451 43.616 42.059 0.176 0.000 1.237 352 L HN 0.576 nan 8.230 nan 0.000 0.442 353 E N 2.003 122.351 120.200 0.248 0.000 2.529 353 E HA -0.052 4.298 4.350 -0.001 0.000 0.259 353 E C -0.845 175.977 176.600 0.369 0.000 0.966 353 E CA 0.144 56.710 56.400 0.276 0.000 0.937 353 E CB 0.618 30.415 29.700 0.161 0.000 0.923 353 E HN 0.397 nan 8.360 nan 0.000 0.468 354 Q N 3.600 123.629 119.800 0.382 0.000 2.263 354 Q HA 0.270 4.609 4.340 -0.001 0.000 0.266 354 Q C -1.752 174.207 176.000 -0.070 0.000 1.002 354 Q CA -0.624 55.277 55.803 0.163 0.000 0.790 354 Q CB 1.275 30.043 28.738 0.051 0.000 1.272 354 Q HN 0.371 nan 8.270 nan 0.000 0.435 355 K N 3.177 123.395 120.400 -0.303 0.000 2.143 355 K HA 0.377 4.696 4.320 -0.001 0.000 0.272 355 K C -0.415 175.903 176.600 -0.470 0.000 1.001 355 K CA -0.288 55.703 56.287 -0.493 0.000 0.915 355 K CB 0.829 32.833 32.500 -0.827 0.000 1.047 355 K HN 0.604 nan 8.250 nan 0.000 0.458 356 F N 0.981 120.799 119.950 -0.220 0.000 2.706 356 F HA 0.115 4.641 4.527 -0.001 0.000 0.313 356 F C 0.144 175.993 175.800 0.082 0.000 1.096 356 F CA -0.321 57.665 58.000 -0.024 0.000 1.219 356 F CB -0.054 38.920 39.000 -0.043 0.000 1.051 356 F HN 0.657 nan 8.300 nan 0.000 0.568 357 Y N -0.406 119.952 120.300 0.096 0.000 2.775 357 Y HA -0.529 4.021 4.550 -0.001 0.000 0.474 357 Y C 2.259 178.204 175.900 0.074 0.000 1.110 357 Y CA 1.644 59.780 58.100 0.060 0.000 2.835 357 Y CB -1.828 36.645 38.460 0.022 0.000 1.133 357 Y HN 0.055 nan 8.280 nan 0.000 0.613 358 S N -0.037 115.817 115.700 0.256 0.000 2.540 358 S HA 0.265 4.735 4.470 -0.001 0.000 0.218 358 S C 0.228 174.897 174.600 0.114 0.000 0.977 358 S CA -0.001 58.283 58.200 0.140 0.000 0.918 358 S CB 0.089 63.351 63.200 0.103 0.000 0.806 358 S HN 0.307 nan 8.310 nan 0.000 0.496 359 I N 3.878 124.547 120.570 0.164 0.000 2.845 359 I HA 0.055 4.225 4.170 -0.001 0.000 0.290 359 I C 0.790 176.930 176.117 0.038 0.000 1.202 359 I CA 0.295 61.673 61.300 0.130 0.000 1.406 359 I CB -0.757 37.383 38.000 0.234 0.000 1.383 359 I HN 0.285 nan 8.210 nan 0.000 0.549 360 K N 4.460 124.859 120.400 -0.003 0.000 2.286 360 K HA 0.345 4.665 4.320 -0.001 0.000 0.256 360 K C 0.360 176.887 176.600 -0.122 0.000 0.999 360 K CA -0.455 55.801 56.287 -0.053 0.000 0.908 360 K CB 0.519 32.993 32.500 -0.043 0.000 0.981 360 K HN 0.730 nan 8.250 nan 0.000 0.500 361 A N 1.101 123.829 122.820 -0.152 0.000 2.440 361 A HA 0.429 4.749 4.320 -0.001 0.000 0.251 361 A C -0.198 177.271 177.584 -0.192 0.000 1.089 361 A CA -0.240 51.669 52.037 -0.213 0.000 0.779 361 A CB 0.299 19.167 19.000 -0.220 0.000 1.022 361 A HN 0.700 nan 8.150 nan 0.000 0.492 362 A N 1.699 124.405 122.820 -0.190 0.000 2.295 362 A HA 0.682 5.002 4.320 -0.001 0.000 0.318 362 A C -0.646 176.884 177.584 -0.090 0.000 1.134 362 A CA -0.465 51.503 52.037 -0.115 0.000 0.827 362 A CB 0.285 19.229 19.000 -0.094 0.000 1.136 362 A HN 0.708 nan 8.150 nan 0.000 0.493 363 F N 2.170 122.076 119.950 -0.073 0.000 2.438 363 F HA 0.366 4.893 4.527 -0.001 0.000 0.360 363 F C -2.031 173.718 175.800 -0.085 0.000 1.118 363 F CA -2.104 55.860 58.000 -0.060 0.000 1.164 363 F CB 0.999 39.981 39.000 -0.031 0.000 1.131 363 F HN 0.243 nan 8.300 nan 0.000 0.527 364 P HA 0.116 nan 4.420 nan 0.000 0.271 364 P C -0.766 176.542 177.300 0.012 0.000 1.220 364 P CA 0.007 63.136 63.100 0.048 0.000 0.768 364 P CB 0.637 32.351 31.700 0.024 0.000 0.848 365 T N 1.977 116.469 114.554 -0.104 0.000 2.770 365 T HA 0.365 4.715 4.350 -0.001 0.000 0.283 365 T C -0.143 174.413 174.700 -0.240 0.000 0.988 365 T CA -0.340 61.625 62.100 -0.225 0.000 0.957 365 T CB 0.575 69.173 68.868 -0.450 0.000 0.930 365 T HN 0.133 nan 8.240 nan 0.000 0.443 366 S N 2.666 118.277 115.700 -0.149 0.000 2.437 366 S HA 0.719 5.189 4.470 -0.001 0.000 0.305 366 S C -0.562 173.995 174.600 -0.071 0.000 1.109 366 S CA -0.521 57.623 58.200 -0.093 0.000 1.099 366 S CB 0.492 63.661 63.200 -0.051 0.000 1.004 366 S HN 0.801 nan 8.310 nan 0.000 0.475 367 S N 3.153 118.835 115.700 -0.030 0.000 2.542 367 S HA 0.715 5.185 4.470 -0.001 0.000 0.276 367 S C -0.611 174.021 174.600 0.053 0.000 1.148 367 S CA 0.179 58.397 58.200 0.031 0.000 0.886 367 S CB 0.981 64.245 63.200 0.108 0.000 1.109 367 S HN 1.872 nan 8.310 nan 0.000 0.458 368 G N 1.347 110.165 108.800 0.030 0.000 2.273 368 G HA2 0.480 4.440 3.960 -0.001 0.000 0.208 368 G HA3 0.480 4.440 3.960 -0.001 0.000 0.208 368 G C 0.842 175.730 174.900 -0.020 0.000 1.779 368 G CA 0.433 45.549 45.100 0.027 0.000 1.173 368 G HN 2.267 nan 8.290 nan 0.000 0.616 369 G N -0.257 108.518 108.800 -0.041 0.000 2.198 369 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.257 369 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.257 369 G C 0.495 175.297 174.900 -0.164 0.000 1.042 369 G CA 0.547 45.596 45.100 -0.086 0.000 0.791 369 G HN 1.310 nan 8.290 nan 0.000 0.502 370 L N 0.192 121.308 121.223 -0.179 0.000 2.399 370 L HA 0.781 5.121 4.340 -0.001 0.000 0.266 370 L C 0.801 177.476 176.870 -0.325 0.000 1.114 370 L CA -0.863 53.810 54.840 -0.279 0.000 0.804 370 L CB 1.087 43.038 42.059 -0.181 0.000 1.146 370 L HN 0.607 nan 8.230 nan 0.000 0.451 371 H N -0.329 118.578 119.070 -0.273 0.000 2.966 371 H HA 0.380 4.936 4.556 -0.001 0.000 0.330 371 H C -2.684 172.544 175.328 -0.166 0.000 1.292 371 H CA -2.171 53.674 56.048 -0.339 0.000 1.127 371 H CB 0.479 29.870 29.762 -0.618 0.000 1.863 371 H HN 0.113 nan 8.280 nan 0.000 0.543 372 P HA -0.011 nan 4.420 nan 0.000 0.231 372 P C 1.232 178.598 177.300 0.111 0.000 1.158 372 P CA 1.756 64.901 63.100 0.076 0.000 0.763 372 P CB -0.085 31.672 31.700 0.096 0.000 0.805 373 G N 1.748 110.820 108.800 0.454 0.000 2.547 373 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.214 373 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.214 373 G C 1.007 175.858 174.900 -0.082 0.000 1.254 373 G CA 0.451 45.630 45.100 0.132 0.000 0.817 373 G HN 0.344 nan 8.290 nan 0.000 0.551 374 N N 1.496 119.927 118.700 -0.449 0.000 2.375 374 N HA 0.071 4.810 4.740 -0.001 0.000 0.220 374 N C 1.546 176.933 175.510 -0.204 0.000 1.170 374 N CA 0.244 53.129 53.050 -0.275 0.000 0.833 374 N CB -0.323 37.954 38.487 -0.350 0.000 1.069 374 N HN 0.641 nan 8.380 nan 0.000 0.479 375 I N -4.498 115.975 120.570 -0.161 0.000 3.645 375 I HA 0.097 4.266 4.170 -0.001 0.000 0.300 375 I C 1.949 178.031 176.117 -0.059 0.000 1.260 375 I CA 0.033 61.266 61.300 -0.112 0.000 1.365 375 I CB 0.057 37.987 38.000 -0.116 0.000 1.077 375 I HN -0.021 nan 8.210 nan 0.000 0.439 376 Q N 2.814 122.597 119.800 -0.029 0.000 2.050 376 Q HA -0.091 4.249 4.340 -0.001 0.000 0.202 376 Q C -0.542 175.456 176.000 -0.005 0.000 0.980 376 Q CA 2.191 57.989 55.803 -0.007 0.000 0.840 376 Q CB -1.266 27.490 28.738 0.029 0.000 0.898 376 Q HN 0.408 nan 8.270 nan 0.000 0.424 377 P HA -0.015 nan 4.420 nan 0.000 0.242 377 P C 1.045 178.340 177.300 -0.008 0.000 1.197 377 P CA 0.524 63.625 63.100 0.002 0.000 0.765 377 P CB 0.202 31.908 31.700 0.009 0.000 0.936 378 V N -0.126 119.776 119.914 -0.020 0.000 2.490 378 V HA -0.033 4.087 4.120 -0.001 0.000 0.238 378 V C 2.516 178.603 176.094 -0.011 0.000 1.056 378 V CA 0.792 63.079 62.300 -0.021 0.000 1.075 378 V CB -0.698 31.103 31.823 -0.037 0.000 0.746 378 V HN -0.053 nan 8.190 nan 0.000 0.479 379 I N 1.080 121.641 120.570 -0.015 0.000 2.454 379 I HA -0.194 3.976 4.170 -0.001 0.000 0.254 379 I C 2.887 179.003 176.117 -0.002 0.000 1.156 379 I CA 1.588 62.883 61.300 -0.007 0.000 1.433 379 I CB -0.781 37.209 38.000 -0.016 0.000 1.082 379 I HN 0.518 nan 8.210 nan 0.000 0.432 380 E N 1.534 121.732 120.200 -0.003 0.000 2.031 380 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 380 E C 2.386 178.990 176.600 0.007 0.000 0.994 380 E CA 1.545 57.946 56.400 0.002 0.000 0.800 380 E CB -0.846 28.856 29.700 0.003 0.000 0.752 380 E HN 0.586 nan 8.360 nan 0.000 0.447 381 A N -0.684 122.141 122.820 0.008 0.000 1.930 381 A HA 0.202 4.521 4.320 -0.001 0.000 0.217 381 A C 2.184 179.778 177.584 0.017 0.000 1.175 381 A CA 1.663 53.709 52.037 0.014 0.000 0.627 381 A CB 0.013 19.021 19.000 0.013 0.000 0.815 381 A HN 0.391 nan 8.150 nan 0.000 0.443 382 L N -2.153 119.079 121.223 0.014 0.000 2.609 382 L HA 0.364 4.703 4.340 -0.001 0.000 0.230 382 L C 1.368 178.251 176.870 0.023 0.000 1.087 382 L CA 0.983 55.834 54.840 0.019 0.000 0.874 382 L CB -0.873 41.195 42.059 0.016 0.000 1.114 382 L HN 0.653 nan 8.230 nan 0.000 0.488 383 G N -0.032 108.780 108.800 0.019 0.000 2.681 383 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.220 383 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.220 383 G C 0.659 175.579 174.900 0.033 0.000 1.353 383 G CA 0.225 45.338 45.100 0.022 0.000 0.872 383 G HN 0.243 nan 8.290 nan 0.000 0.557 384 T N -3.211 111.368 114.554 0.041 0.000 3.060 384 T HA 0.294 4.644 4.350 -0.001 0.000 0.249 384 T C 0.626 175.398 174.700 0.120 0.000 1.079 384 T CA 1.215 63.350 62.100 0.059 0.000 1.013 384 T CB 0.354 69.248 68.868 0.043 0.000 0.975 384 T HN 0.386 nan 8.240 nan 0.000 0.518 385 D N 2.725 123.200 120.400 0.125 0.000 2.713 385 D HA 0.380 5.019 4.640 -0.001 0.000 0.229 385 D C 0.061 176.575 176.300 0.358 0.000 1.136 385 D CA -0.223 53.911 54.000 0.222 0.000 1.010 385 D CB -0.247 40.564 40.800 0.019 0.000 1.084 385 D HN 0.729 nan 8.370 nan 0.000 0.495 386 I N -3.163 117.622 120.570 0.357 0.000 2.969 386 I HA 0.571 4.740 4.170 -0.001 0.000 0.307 386 I C -0.860 175.226 176.117 -0.052 0.000 1.149 386 I CA -1.253 60.174 61.300 0.212 0.000 1.008 386 I CB 2.127 40.176 38.000 0.082 0.000 1.232 386 I HN -0.366 nan 8.210 nan 0.000 0.435 387 V N 4.512 124.318 119.914 -0.180 0.000 2.370 387 V HA 0.422 4.542 4.120 -0.001 0.000 0.279 387 V C 0.058 176.117 176.094 -0.058 0.000 1.029 387 V CA -0.417 61.741 62.300 -0.237 0.000 0.870 387 V CB 1.300 32.930 31.823 -0.322 0.000 0.984 387 V HN 0.478 nan 8.190 nan 0.000 0.451 388 L N 4.792 126.032 121.223 0.028 0.000 2.289 388 L HA 0.534 4.873 4.340 -0.001 0.000 0.285 388 L C 0.067 177.019 176.870 0.138 0.000 1.049 388 L CA -0.119 54.759 54.840 0.064 0.000 0.804 388 L CB 1.296 43.395 42.059 0.067 0.000 1.195 388 L HN 0.531 nan 8.230 nan 0.000 0.428 389 Q N 4.069 123.928 119.800 0.098 0.000 2.333 389 Q HA 0.429 4.769 4.340 -0.001 0.000 0.268 389 Q C -1.714 174.322 176.000 0.060 0.000 1.007 389 Q CA -0.756 55.107 55.803 0.101 0.000 0.810 389 Q CB 1.915 30.759 28.738 0.176 0.000 1.264 389 Q HN 0.414 nan 8.270 nan 0.000 0.452 390 L N 4.120 125.380 121.223 0.060 0.000 2.401 390 L HA 0.475 4.814 4.340 -0.001 0.000 0.263 390 L C 0.806 177.684 176.870 0.014 0.000 1.004 390 L CA -0.051 54.816 54.840 0.046 0.000 0.881 390 L CB 1.665 43.783 42.059 0.099 0.000 1.219 390 L HN 0.802 nan 8.230 nan 0.000 0.441 391 G N 1.396 110.192 108.800 -0.007 0.000 2.618 391 G HA2 0.152 4.112 3.960 -0.001 0.000 0.222 391 G HA3 0.152 4.112 3.960 -0.001 0.000 0.222 391 G C 1.284 176.178 174.900 -0.009 0.000 1.520 391 G CA 0.571 45.670 45.100 -0.002 0.000 0.930 391 G HN 0.661 nan 8.290 nan 0.000 0.547 392 G N 0.879 109.667 108.800 -0.020 0.000 2.624 392 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.221 392 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.221 392 G C 1.737 176.556 174.900 -0.134 0.000 1.169 392 G CA 1.597 46.676 45.100 -0.036 0.000 0.771 392 G HN 0.863 nan 8.290 nan 0.000 0.598 393 G N -1.206 107.417 108.800 -0.295 0.000 2.653 393 G HA2 0.168 4.128 3.960 -0.001 0.000 0.212 393 G HA3 0.168 4.128 3.960 -0.001 0.000 0.212 393 G C 1.387 176.166 174.900 -0.201 0.000 1.138 393 G CA 1.620 46.377 45.100 -0.571 0.000 0.782 393 G HN 0.465 nan 8.290 nan 0.000 0.535 394 T N -0.288 114.273 114.554 0.011 0.000 3.138 394 T HA 0.123 4.472 4.350 -0.001 0.000 0.245 394 T C 2.076 176.891 174.700 0.192 0.000 0.982 394 T CA -0.144 62.039 62.100 0.138 0.000 1.134 394 T CB -0.000 68.938 68.868 0.117 0.000 1.032 394 T HN 0.026 nan 8.240 nan 0.000 0.442 395 L N 1.642 122.943 121.223 0.130 0.000 2.027 395 L HA 0.224 4.563 4.340 -0.001 0.000 0.206 395 L C 2.485 179.475 176.870 0.199 0.000 1.074 395 L CA 1.669 56.580 54.840 0.118 0.000 0.745 395 L CB -1.142 40.952 42.059 0.058 0.000 0.898 395 L HN 0.399 nan 8.230 nan 0.000 0.433 396 G N -2.006 106.964 108.800 0.283 0.000 3.155 396 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.213 396 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.213 396 G C 0.531 175.680 174.900 0.414 0.000 1.196 396 G CA -0.215 45.093 45.100 0.346 0.000 0.846 396 G HN 0.330 nan 8.290 nan 0.000 0.516 397 H N 1.697 120.969 119.070 0.337 0.000 2.964 397 H HA 0.065 4.621 4.556 -0.001 0.000 0.328 397 H C -1.093 174.198 175.328 -0.061 0.000 1.030 397 H CA -1.437 54.686 56.048 0.126 0.000 1.445 397 H CB 1.850 31.722 29.762 0.183 0.000 1.449 397 H HN 0.027 nan 8.280 nan 0.000 0.581 398 P HA -0.145 nan 4.420 nan 0.000 0.217 398 P C 0.235 177.557 177.300 0.036 0.000 1.148 398 P CA 1.201 64.193 63.100 -0.181 0.000 0.828 398 P CB 0.434 31.922 31.700 -0.353 0.000 0.783 399 D N -0.858 119.714 120.400 0.288 0.000 2.342 399 D HA 0.356 4.995 4.640 -0.001 0.000 0.221 399 D C 1.058 177.413 176.300 0.092 0.000 1.101 399 D CA 0.521 54.621 54.000 0.167 0.000 0.837 399 D CB 0.083 40.976 40.800 0.155 0.000 0.938 399 D HN 0.172 nan 8.370 nan 0.000 0.508 400 G N 0.927 109.800 108.800 0.121 0.000 2.629 400 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.686 400 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.686 400 G C -2.146 172.761 174.900 0.011 0.000 1.232 400 G CA -0.998 44.130 45.100 0.046 0.000 0.803 400 G HN -0.161 nan 8.290 nan 0.000 0.638 401 P HA -0.157 nan 4.420 nan 0.000 0.215 401 P C 2.391 179.657 177.300 -0.056 0.000 1.163 401 P CA 3.285 66.381 63.100 -0.007 0.000 0.894 401 P CB -0.037 31.645 31.700 -0.029 0.000 0.791 402 A N -0.229 122.546 122.820 -0.075 0.000 1.892 402 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 402 A C 2.365 179.869 177.584 -0.134 0.000 1.188 402 A CA 2.608 54.589 52.037 -0.094 0.000 0.631 402 A CB -1.700 17.251 19.000 -0.082 0.000 0.822 402 A HN 0.217 nan 8.150 nan 0.000 0.447 403 A N -0.594 122.107 122.820 -0.200 0.000 1.908 403 A HA 0.075 4.395 4.320 -0.001 0.000 0.218 403 A C 2.468 179.749 177.584 -0.505 0.000 1.181 403 A CA 2.103 53.925 52.037 -0.357 0.000 0.627 403 A CB -1.504 17.216 19.000 -0.467 0.000 0.818 403 A HN 0.824 nan 8.150 nan 0.000 0.445 404 G N -0.550 107.968 108.800 -0.470 0.000 2.440 404 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.218 404 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.218 404 G C 1.762 176.639 174.900 -0.038 0.000 1.154 404 G CA 1.650 46.659 45.100 -0.152 0.000 0.767 404 G HN 0.828 nan 8.290 nan 0.000 0.552 405 A N 0.902 123.710 122.820 -0.019 0.000 1.858 405 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 405 A C 2.449 180.012 177.584 -0.035 0.000 1.190 405 A CA 1.708 53.782 52.037 0.062 0.000 0.617 405 A CB -0.455 18.579 19.000 0.058 0.000 0.827 405 A HN 0.352 nan 8.150 nan 0.000 0.443 406 R N -0.494 119.967 120.500 -0.065 0.000 2.105 406 R HA -0.119 4.221 4.340 -0.001 0.000 0.239 406 R C 2.480 178.741 176.300 -0.065 0.000 1.135 406 R CA 1.155 57.218 56.100 -0.061 0.000 0.967 406 R CB -0.548 29.719 30.300 -0.056 0.000 0.861 406 R HN 0.541 nan 8.270 nan 0.000 0.442 407 A N 0.937 123.714 122.820 -0.071 0.000 1.841 407 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 407 A C 2.397 179.933 177.584 -0.079 0.000 1.199 407 A CA 1.721 53.751 52.037 -0.012 0.000 0.621 407 A CB -0.893 18.163 19.000 0.094 0.000 0.835 407 A HN 0.110 nan 8.150 nan 0.000 0.445 408 V N 0.460 120.264 119.914 -0.183 0.000 2.250 408 V HA -0.308 3.812 4.120 -0.001 0.000 0.250 408 V C 2.625 178.482 176.094 -0.394 0.000 1.060 408 V CA 2.329 64.386 62.300 -0.405 0.000 1.030 408 V CB -0.852 30.405 31.823 -0.944 0.000 0.643 408 V HN 0.475 nan 8.190 nan 0.000 0.445 409 R N -0.466 119.827 120.500 -0.343 0.000 2.341 409 R HA -0.101 4.238 4.340 -0.001 0.000 0.213 409 R C 2.105 178.321 176.300 -0.140 0.000 1.082 409 R CA 0.928 56.905 56.100 -0.205 0.000 1.017 409 R CB -0.427 29.812 30.300 -0.101 0.000 0.860 409 R HN 0.673 nan 8.270 nan 0.000 0.473 410 Q N -0.583 119.144 119.800 -0.122 0.000 2.107 410 Q HA 0.101 4.440 4.340 -0.001 0.000 0.195 410 Q C 2.168 178.077 176.000 -0.152 0.000 0.964 410 Q CA 1.011 56.765 55.803 -0.082 0.000 0.833 410 Q CB -0.092 28.643 28.738 -0.005 0.000 0.910 410 Q HN 0.270 nan 8.270 nan 0.000 0.465 411 A N 1.179 123.927 122.820 -0.120 0.000 1.892 411 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 411 A C 2.042 179.507 177.584 -0.197 0.000 1.188 411 A CA 1.457 53.413 52.037 -0.134 0.000 0.631 411 A CB -0.905 18.042 19.000 -0.089 0.000 0.822 411 A HN 0.356 nan 8.150 nan 0.000 0.447 412 I N -0.332 120.122 120.570 -0.194 0.000 2.163 412 I HA -0.280 3.890 4.170 -0.001 0.000 0.243 412 I C 2.014 178.017 176.117 -0.191 0.000 1.085 412 I CA 1.752 62.950 61.300 -0.171 0.000 1.347 412 I CB -0.455 37.451 38.000 -0.156 0.000 1.044 412 I HN 0.276 nan 8.210 nan 0.000 0.408 413 D N 0.838 121.103 120.400 -0.225 0.000 2.144 413 D HA -0.151 4.489 4.640 -0.001 0.000 0.199 413 D C 2.215 178.247 176.300 -0.448 0.000 0.984 413 D CA 1.511 55.355 54.000 -0.258 0.000 0.834 413 D CB -0.179 40.501 40.800 -0.199 0.000 0.955 413 D HN 0.360 nan 8.370 nan 0.000 0.465 414 A N 0.342 122.728 122.820 -0.724 0.000 1.972 414 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 414 A C 2.332 179.686 177.584 -0.384 0.000 1.169 414 A CA 0.872 52.370 52.037 -0.897 0.000 0.635 414 A CB -0.543 17.931 19.000 -0.877 0.000 0.810 414 A HN 0.225 nan 8.150 nan 0.000 0.446 415 I N -0.926 119.490 120.570 -0.257 0.000 2.333 415 I HA -0.164 4.006 4.170 -0.001 0.000 0.246 415 I C 2.106 178.155 176.117 -0.113 0.000 1.106 415 I CA 0.715 61.929 61.300 -0.143 0.000 1.411 415 I CB -0.248 37.689 38.000 -0.105 0.000 1.082 415 I HN 0.216 nan 8.210 nan 0.000 0.420 416 M N 0.122 119.650 119.600 -0.120 0.000 2.629 416 M HA -0.169 4.310 4.480 -0.001 0.000 0.257 416 M C 1.526 177.783 176.300 -0.072 0.000 1.071 416 M CA 1.584 56.836 55.300 -0.079 0.000 1.077 416 M CB -0.816 31.743 32.600 -0.069 0.000 1.423 416 M HN 0.411 nan 8.290 nan 0.000 0.508 417 Q N -1.521 118.217 119.800 -0.102 0.000 2.280 417 Q HA 0.262 4.602 4.340 -0.001 0.000 0.244 417 Q C 1.177 177.147 176.000 -0.050 0.000 0.847 417 Q CA 0.503 56.263 55.803 -0.073 0.000 0.945 417 Q CB 1.016 29.699 28.738 -0.092 0.000 1.115 417 Q HN 0.610 nan 8.270 nan 0.000 0.513 418 G N 1.646 110.409 108.800 -0.062 0.000 2.157 418 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.239 418 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.239 418 G C 0.081 174.969 174.900 -0.018 0.000 0.982 418 G CA -0.244 44.837 45.100 -0.032 0.000 0.650 418 G HN 0.274 nan 8.290 nan 0.000 0.527 419 I N 2.489 123.038 120.570 -0.036 0.000 2.308 419 I HA 0.247 4.416 4.170 -0.001 0.000 0.293 419 I C -1.723 174.410 176.117 0.026 0.000 1.078 419 I CA -2.030 59.283 61.300 0.021 0.000 1.292 419 I CB 0.814 38.866 38.000 0.086 0.000 1.423 419 I HN -0.139 nan 8.210 nan 0.000 0.493 420 P HA -0.132 nan 4.420 nan 0.000 0.263 420 P C 1.143 178.511 177.300 0.112 0.000 1.168 420 P CA 0.267 63.407 63.100 0.066 0.000 0.759 420 P CB 0.533 32.269 31.700 0.060 0.000 0.782 421 L N 2.345 123.644 121.223 0.127 0.000 2.127 421 L HA -0.193 4.147 4.340 -0.001 0.000 0.211 421 L C 2.236 179.224 176.870 0.196 0.000 1.089 421 L CA 2.896 57.835 54.840 0.165 0.000 0.757 421 L CB -2.420 39.739 42.059 0.167 0.000 0.899 421 L HN 0.533 nan 8.230 nan 0.000 0.434 422 D N -0.697 119.814 120.400 0.186 0.000 2.178 422 D HA 0.018 4.657 4.640 -0.001 0.000 0.201 422 D C 2.149 178.523 176.300 0.123 0.000 0.980 422 D CA 2.513 56.605 54.000 0.154 0.000 0.842 422 D CB -0.345 40.520 40.800 0.109 0.000 0.948 422 D HN 0.828 nan 8.370 nan 0.000 0.472 423 E N -1.158 119.119 120.200 0.130 0.000 2.060 423 E HA 0.040 4.390 4.350 -0.001 0.000 0.189 423 E C 1.903 178.600 176.600 0.162 0.000 0.974 423 E CA 0.756 57.228 56.400 0.121 0.000 0.808 423 E CB -1.054 28.712 29.700 0.111 0.000 0.768 423 E HN 0.728 nan 8.360 nan 0.000 0.453 424 Y N 0.946 121.289 120.300 0.073 0.000 2.403 424 Y HA 0.061 4.610 4.550 -0.001 0.000 0.291 424 Y C 2.605 178.600 175.900 0.158 0.000 1.143 424 Y CA 1.212 59.374 58.100 0.104 0.000 1.257 424 Y CB -0.291 38.193 38.460 0.041 0.000 0.984 424 Y HN 0.307 nan 8.280 nan 0.000 0.550 425 A N -0.151 122.785 122.820 0.194 0.000 2.066 425 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 425 A C 2.101 179.720 177.584 0.058 0.000 1.157 425 A CA 1.123 53.240 52.037 0.134 0.000 0.670 425 A CB -0.381 18.695 19.000 0.127 0.000 0.804 425 A HN 0.455 nan 8.150 nan 0.000 0.453 426 K N -0.578 119.842 120.400 0.034 0.000 2.362 426 K HA -0.042 4.277 4.320 -0.001 0.000 0.200 426 K C 0.418 176.977 176.600 -0.067 0.000 1.046 426 K CA 1.425 57.707 56.287 -0.008 0.000 0.952 426 K CB -0.058 32.441 32.500 -0.002 0.000 0.753 426 K HN 0.387 nan 8.250 nan 0.000 0.466 427 T N -0.408 114.074 114.554 -0.119 0.000 3.145 427 T HA 0.126 4.475 4.350 -0.001 0.000 0.281 427 T C -0.907 173.434 174.700 -0.598 0.000 1.003 427 T CA -0.280 61.639 62.100 -0.302 0.000 0.901 427 T CB 0.160 68.825 68.868 -0.338 0.000 1.112 427 T HN 0.145 nan 8.240 nan 0.000 0.535 428 H N -0.072 118.893 119.070 -0.175 0.000 3.181 428 H HA 0.478 5.033 4.556 -0.001 0.000 0.331 428 H C 0.883 176.188 175.328 -0.039 0.000 0.988 428 H CA -0.470 55.507 56.048 -0.119 0.000 1.449 428 H CB 1.096 30.772 29.762 -0.142 0.000 1.749 428 H HN 0.020 nan 8.280 nan 0.000 0.501 429 K N 2.258 122.684 120.400 0.043 0.000 2.025 429 K HA -0.127 4.192 4.320 -0.001 0.000 0.207 429 K C 1.649 178.298 176.600 0.082 0.000 1.049 429 K CA 1.983 58.292 56.287 0.036 0.000 0.933 429 K CB -0.348 32.155 32.500 0.005 0.000 0.714 429 K HN 0.652 nan 8.250 nan 0.000 0.438 430 E N 0.444 120.701 120.200 0.096 0.000 2.058 430 E HA -0.155 4.195 4.350 -0.001 0.000 0.194 430 E C 2.000 178.750 176.600 0.250 0.000 0.997 430 E CA 1.300 57.783 56.400 0.138 0.000 0.801 430 E CB -0.353 29.354 29.700 0.012 0.000 0.746 430 E HN 0.373 nan 8.360 nan 0.000 0.450 431 L N 0.838 122.165 121.223 0.173 0.000 2.012 431 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 431 L C 2.114 179.055 176.870 0.118 0.000 1.073 431 L CA 2.278 57.215 54.840 0.162 0.000 0.748 431 L CB -1.114 41.041 42.059 0.160 0.000 0.891 431 L HN 0.129 nan 8.230 nan 0.000 0.431 432 A N -0.378 122.498 122.820 0.093 0.000 1.892 432 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 432 A C 2.324 179.900 177.584 -0.014 0.000 1.188 432 A CA 1.848 53.910 52.037 0.042 0.000 0.631 432 A CB -0.572 18.446 19.000 0.030 0.000 0.822 432 A HN 0.493 nan 8.150 nan 0.000 0.447 433 R N -0.442 120.051 120.500 -0.011 0.000 2.115 433 R HA -0.043 4.296 4.340 -0.001 0.000 0.230 433 R C 2.406 178.490 176.300 -0.361 0.000 1.111 433 R CA 1.256 57.270 56.100 -0.143 0.000 0.976 433 R CB -1.066 29.202 30.300 -0.054 0.000 0.870 433 R HN 0.561 nan 8.270 nan 0.000 0.445 434 A N 1.773 124.461 122.820 -0.219 0.000 1.835 434 A HA -0.132 4.187 4.320 -0.001 0.000 0.215 434 A C 2.390 179.876 177.584 -0.163 0.000 1.199 434 A CA 1.138 53.056 52.037 -0.197 0.000 0.615 434 A CB -0.780 18.343 19.000 0.205 0.000 0.838 434 A HN 0.159 nan 8.150 nan 0.000 0.444 435 L N -0.746 120.437 121.223 -0.067 0.000 1.978 435 L HA -0.311 4.029 4.340 -0.001 0.000 0.218 435 L C 3.170 179.966 176.870 -0.123 0.000 1.075 435 L CA 2.417 57.211 54.840 -0.077 0.000 0.767 435 L CB -1.396 40.664 42.059 0.001 0.000 0.890 435 L HN 0.657 nan 8.230 nan 0.000 0.434 436 E N 0.714 120.830 120.200 -0.141 0.000 2.114 436 E HA -0.353 3.997 4.350 -0.001 0.000 0.199 436 E C 2.134 178.581 176.600 -0.255 0.000 1.008 436 E CA 2.257 58.560 56.400 -0.162 0.000 0.810 436 E CB -0.640 28.964 29.700 -0.160 0.000 0.739 436 E HN 0.589 nan 8.360 nan 0.000 0.456 437 K N -1.967 118.162 120.400 -0.452 0.000 2.044 437 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 437 K C 1.842 178.091 176.600 -0.585 0.000 1.049 437 K CA 1.209 57.091 56.287 -0.676 0.000 0.945 437 K CB -0.034 31.732 32.500 -1.223 0.000 0.724 437 K HN 0.579 nan 8.250 nan 0.000 0.440 438 W N 0.366 121.489 121.300 -0.296 0.000 2.940 438 W HA 0.290 4.949 4.660 -0.001 0.000 0.297 438 W C 1.186 177.507 176.519 -0.330 0.000 1.149 438 W CA 0.515 57.625 57.345 -0.391 0.000 1.564 438 W CB -0.242 28.740 29.460 -0.797 0.000 1.010 438 W HN 0.467 nan 8.180 nan 0.000 0.578 439 G N 1.811 110.567 108.800 -0.074 0.000 2.596 439 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.304 439 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.304 439 G C 0.361 175.253 174.900 -0.014 0.000 1.189 439 G CA 1.062 46.186 45.100 0.039 0.000 0.986 439 G HN 0.509 nan 8.290 nan 0.000 0.548 440 H N 0.021 119.191 119.070 0.167 0.000 2.665 440 H HA 0.511 5.067 4.556 -0.001 0.000 0.248 440 H C 1.120 176.586 175.328 0.230 0.000 1.175 440 H CA 0.223 56.424 56.048 0.256 0.000 0.952 440 H CB -0.225 29.624 29.762 0.146 0.000 1.883 440 H HN 0.808 nan 8.280 nan 0.000 0.623 441 V N 1.354 121.467 119.914 0.330 0.000 3.051 441 V HA 0.172 4.292 4.120 -0.001 0.000 0.306 441 V C 0.753 176.977 176.094 0.217 0.000 1.083 441 V CA 0.296 62.737 62.300 0.234 0.000 1.104 441 V CB 0.585 32.517 31.823 0.183 0.000 1.027 441 V HN 0.183 nan 8.190 nan 0.000 0.483 442 T N 5.418 120.047 114.554 0.124 0.000 2.853 442 T HA 0.502 4.852 4.350 -0.001 0.000 0.317 442 T C -2.442 172.295 174.700 0.062 0.000 1.059 442 T CA -0.831 61.310 62.100 0.069 0.000 0.954 442 T CB 0.544 69.439 68.868 0.044 0.000 0.994 442 T HN 0.780 nan 8.240 nan 0.000 0.479 443 P HA 0.170 nan 4.420 nan 0.000 0.260 443 P C -0.658 176.664 177.300 0.036 0.000 1.172 443 P CA 0.153 63.282 63.100 0.048 0.000 0.760 443 P CB 0.456 32.169 31.700 0.021 0.000 0.773 444 V N 0.000 119.938 119.914 0.041 0.000 2.409 444 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 444 V CA 0.000 62.320 62.300 0.033 0.000 1.235 444 V CB 0.000 31.842 31.823 0.032 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556