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 2hxg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTIFDNYEVW FVIGSQHLYG PETLRQVTQH AEHVVNALNT EAKLPCKLVL DATA SEQUENCE KPLGTTPDEI TAICRDANYD DPCAGLVVWL HTFSPAKMWI NGLTMLNKPL DATA SEQUENCE LQFHTQFNAA LPWDSIDMDF MNLNQTAHGG REFGFIGARM RQQHAVVTGH DATA SEQUENCE WQDKQAHERI GSWMRQAVSK QDTRHLKVCR FGDNMREVAV TDGDKVAAQI DATA SEQUENCE KFGFSVNTWA VGDLVQVVNS ISDGDVNALV DEYESCYTMT PATQIHGEKR DATA SEQUENCE QNVLEAARIE LGMKRFLEQG GFHAFTTTFE DLHGLKQLPG LAVQRLMQQG DATA SEQUENCE YGFAGEGDWK TAALLRIMKV MSTGLQGGTS FMEDYTYHFE KGNDLVLGSH DATA SEQUENCE MLEVCPSIAV EEKPILDVQH LGIGGKDDPA RLIFNTQTGP AIVASLIDLG DATA SEQUENCE DRYRLLVNCI DTVKTPHSLP KLPVANALWK AQPDLPTASE AWILAGGAHH DATA SEQUENCE TVFSHALNLN DMRQFAEMHD IEITVIDNDT RLPAFKDALR WNEVYYGF 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.626 32.600 0.043 0.000 1.302 2 T N -0.721 113.879 114.554 0.077 0.000 2.948 2 T HA 0.479 4.827 4.350 -0.004 0.000 0.285 2 T C 1.056 175.810 174.700 0.090 0.000 1.019 2 T CA -0.056 62.097 62.100 0.089 0.000 1.013 2 T CB 2.010 70.966 68.868 0.147 0.000 1.117 2 T HN 0.321 nan 8.240 nan 0.000 0.533 3 I N 0.030 120.616 120.570 0.027 0.000 2.530 3 I HA -0.027 4.141 4.170 -0.004 0.000 0.257 3 I C 1.780 177.922 176.117 0.042 0.000 1.179 3 I CA 1.106 62.402 61.300 -0.007 0.000 1.440 3 I CB -2.084 35.878 38.000 -0.062 0.000 1.087 3 I HN 0.776 nan 8.210 nan 0.000 0.440 4 F N 1.075 121.108 119.950 0.138 0.000 2.333 4 F HA -0.096 4.429 4.527 -0.004 0.000 0.300 4 F C 2.273 178.154 175.800 0.134 0.000 1.083 4 F CA 1.656 59.745 58.000 0.149 0.000 1.395 4 F CB -0.487 38.559 39.000 0.077 0.000 1.056 4 F HN 0.230 nan 8.300 nan 0.000 0.529 5 D N -0.065 120.474 120.400 0.231 0.000 2.312 5 D HA -0.121 4.517 4.640 -0.004 0.000 0.211 5 D C 1.465 177.803 176.300 0.063 0.000 0.964 5 D CA 0.829 54.907 54.000 0.131 0.000 0.877 5 D CB -0.393 40.456 40.800 0.082 0.000 0.924 5 D HN 0.503 nan 8.370 nan 0.000 0.515 6 N N -0.796 117.911 118.700 0.011 0.000 2.171 6 N HA -0.091 4.647 4.740 -0.004 0.000 0.184 6 N C 0.188 175.538 175.510 -0.268 0.000 1.021 6 N CA 0.645 53.564 53.050 -0.218 0.000 0.854 6 N CB 0.125 38.308 38.487 -0.507 0.000 0.994 6 N HN 0.168 nan 8.380 nan 0.000 0.426 7 Y N 0.695 121.029 120.300 0.057 0.000 2.519 7 Y HA 0.444 4.992 4.550 -0.004 0.000 0.324 7 Y C -0.051 175.935 175.900 0.144 0.000 1.214 7 Y CA -0.807 57.346 58.100 0.088 0.000 1.260 7 Y CB 1.142 39.638 38.460 0.060 0.000 1.311 7 Y HN -0.158 nan 8.280 nan 0.000 0.505 8 E N -0.086 120.330 120.200 0.359 0.000 2.408 8 E HA 0.606 4.954 4.350 -0.004 0.000 0.275 8 E C -1.763 175.067 176.600 0.382 0.000 0.935 8 E CA -1.129 55.473 56.400 0.337 0.000 0.775 8 E CB 2.794 32.699 29.700 0.341 0.000 1.277 8 E HN 0.381 nan 8.360 nan 0.000 0.455 9 V N -1.317 118.832 119.914 0.391 0.000 2.495 9 V HA 0.572 4.690 4.120 -0.004 0.000 0.298 9 V C -0.955 175.502 176.094 0.605 0.000 1.031 9 V CA -0.979 61.589 62.300 0.446 0.000 0.871 9 V CB 0.587 32.646 31.823 0.394 0.000 0.988 9 V HN 0.558 nan 8.190 nan 0.000 0.432 10 W N 3.243 124.684 121.300 0.236 0.000 2.251 10 W HA 0.584 5.242 4.660 -0.004 0.000 0.329 10 W C -0.236 176.462 176.519 0.298 0.000 1.234 10 W CA -1.318 56.163 57.345 0.228 0.000 1.228 10 W CB 0.781 30.346 29.460 0.175 0.000 1.135 10 W HN 0.636 nan 8.180 nan 0.000 0.576 11 F N 3.355 123.484 119.950 0.297 0.000 2.363 11 F HA 0.459 4.984 4.527 -0.004 0.000 0.366 11 F C -0.365 175.551 175.800 0.194 0.000 1.083 11 F CA -0.903 57.237 58.000 0.233 0.000 1.176 11 F CB 0.030 39.141 39.000 0.185 0.000 1.432 11 F HN -0.102 nan 8.300 nan 0.000 0.482 12 V N 5.597 125.491 119.914 -0.033 0.000 2.834 12 V HA 0.407 4.525 4.120 -0.004 0.000 0.301 12 V C -0.071 175.894 176.094 -0.216 0.000 1.066 12 V CA -0.495 61.794 62.300 -0.020 0.000 1.052 12 V CB 1.336 33.236 31.823 0.130 0.000 1.021 12 V HN 0.451 nan 8.190 nan 0.000 0.480 13 I N 1.002 121.490 120.570 -0.136 0.000 2.619 13 I HA 0.794 4.962 4.170 -0.004 0.000 0.292 13 I C 0.166 176.215 176.117 -0.113 0.000 1.100 13 I CA -1.173 59.981 61.300 -0.242 0.000 1.043 13 I CB 1.483 39.280 38.000 -0.338 0.000 1.239 13 I HN 0.579 nan 8.210 nan 0.000 0.420 14 G N 2.444 111.175 108.800 -0.115 0.000 2.437 14 G HA2 0.701 4.659 3.960 -0.004 0.000 0.315 14 G HA3 0.701 4.659 3.960 -0.004 0.000 0.315 14 G C -0.809 174.074 174.900 -0.028 0.000 1.210 14 G CA -0.293 44.865 45.100 0.097 0.000 0.943 14 G HN 0.666 nan 8.290 nan 0.000 0.471 15 S N -0.151 115.540 115.700 -0.015 0.000 2.776 15 S HA 0.843 5.311 4.470 -0.004 0.000 0.292 15 S C 0.004 174.589 174.600 -0.025 0.000 1.187 15 S CA -0.170 58.015 58.200 -0.025 0.000 0.834 15 S CB 1.329 64.504 63.200 -0.040 0.000 1.199 15 S HN 1.139 nan 8.310 nan 0.000 0.514 16 Q N -0.943 118.845 119.800 -0.020 0.000 2.235 16 Q HA 0.540 4.878 4.340 -0.004 0.000 0.256 16 Q C 1.012 176.997 176.000 -0.025 0.000 0.951 16 Q CA 0.289 56.077 55.803 -0.026 0.000 0.890 16 Q CB -1.022 nan 28.738 nan 0.000 1.279 16 Q HN 1.196 nan 8.270 nan 0.000 0.444 17 H N 1.058 120.108 119.070 -0.034 0.000 2.460 17 H HA 0.120 4.674 4.556 -0.004 0.000 0.297 17 H C 0.850 176.169 175.328 -0.016 0.000 1.103 17 H CA 1.519 57.548 56.048 -0.032 0.000 1.292 17 H CB -0.336 nan 29.762 nan 0.000 1.376 17 H HN 0.584 nan 8.280 nan 0.000 0.531 18 L N 0.001 121.222 121.223 -0.004 0.000 2.289 18 L HA 0.624 4.962 4.340 -0.004 0.000 0.285 18 L C -0.165 176.716 176.870 0.017 0.000 1.049 18 L CA -0.273 54.572 54.840 0.009 0.000 0.804 18 L CB 0.305 42.375 42.059 0.018 0.000 1.195 18 L HN 0.642 nan 8.230 nan 0.000 0.428 19 Y N -0.224 120.085 120.300 0.015 0.000 2.474 19 Y HA 0.564 5.112 4.550 -0.004 0.000 0.326 19 Y C 0.377 176.282 175.900 0.008 0.000 1.160 19 Y CA -0.902 57.204 58.100 0.009 0.000 1.056 19 Y CB 1.666 nan 38.460 nan 0.000 1.330 19 Y HN 0.853 nan 8.280 nan 0.000 0.447 20 G N 3.553 112.356 108.800 0.004 0.000 2.730 20 G HA2 0.183 4.140 3.960 -0.004 0.000 0.644 20 G HA3 0.183 4.140 3.960 -0.004 0.000 0.644 20 G C -1.810 173.090 174.900 -0.000 0.000 1.168 20 G CA -0.097 45.007 45.100 0.006 0.000 1.240 20 G HN 0.798 nan 8.290 nan 0.000 0.551 21 P HA -0.114 nan 4.420 nan 0.000 0.218 21 P C 2.064 179.359 177.300 -0.008 0.000 1.150 21 P CA 2.747 65.840 63.100 -0.011 0.000 0.841 21 P CB 0.237 31.932 31.700 -0.010 0.000 0.784 22 E N -0.706 119.497 120.200 0.003 0.000 2.000 22 E HA -0.253 4.094 4.350 -0.004 0.000 0.199 22 E C 2.332 178.943 176.600 0.018 0.000 1.011 22 E CA 2.488 58.896 56.400 0.014 0.000 0.836 22 E CB -2.212 nan 29.700 nan 0.000 0.778 22 E HN 0.364 nan 8.360 nan 0.000 0.462 23 T N 0.322 114.892 114.554 0.026 0.000 2.649 23 T HA 0.011 4.359 4.350 -0.004 0.000 0.268 23 T C 2.458 177.165 174.700 0.012 0.000 1.036 23 T CA 3.983 66.104 62.100 0.035 0.000 1.157 23 T CB -1.195 67.689 68.868 0.027 0.000 0.861 23 T HN 1.199 nan 8.240 nan 0.000 0.445 24 L N 0.513 121.729 121.223 -0.011 0.000 2.217 24 L HA 0.531 4.869 4.340 -0.004 0.000 0.211 24 L C 3.083 179.910 176.870 -0.071 0.000 1.107 24 L CA 2.298 57.115 54.840 -0.039 0.000 0.783 24 L CB -2.042 nan 42.059 nan 0.000 0.919 24 L HN 0.842 nan 8.230 nan 0.000 0.442 25 R N -0.858 119.608 120.500 -0.056 0.000 2.140 25 R HA 0.022 4.359 4.340 -0.004 0.000 0.213 25 R C 2.173 178.413 176.300 -0.099 0.000 1.059 25 R CA 1.105 57.163 56.100 -0.070 0.000 1.000 25 R CB -0.935 nan 30.300 nan 0.000 0.910 25 R HN 0.825 nan 8.270 nan 0.000 0.455 26 Q N 0.237 120.000 119.800 -0.062 0.000 2.096 26 Q HA -0.119 4.219 4.340 -0.004 0.000 0.204 26 Q C 2.133 177.888 176.000 -0.408 0.000 0.982 26 Q CA 2.084 57.862 55.803 -0.042 0.000 0.850 26 Q CB -0.344 28.463 28.738 0.114 0.000 0.901 26 Q HN 0.450 nan 8.270 nan 0.000 0.422 27 V N -0.149 119.530 119.914 -0.391 0.000 2.358 27 V HA -0.218 3.900 4.120 -0.004 0.000 0.246 27 V C 1.948 177.570 176.094 -0.787 0.000 1.047 27 V CA 2.499 64.350 62.300 -0.749 0.000 1.035 27 V CB -0.672 30.983 31.823 -0.281 0.000 0.658 27 V HN 0.497 nan 8.190 nan 0.000 0.452 28 T N -0.098 114.203 114.554 -0.422 0.000 2.737 28 T HA -0.298 4.050 4.350 -0.004 0.000 0.269 28 T C 1.828 176.381 174.700 -0.245 0.000 1.040 28 T CA 2.284 64.221 62.100 -0.272 0.000 1.142 28 T CB -0.321 68.453 68.868 -0.157 0.000 0.861 28 T HN 0.685 nan 8.240 nan 0.000 0.456 29 Q N -0.418 119.210 119.800 -0.287 0.000 2.181 29 Q HA -0.179 4.159 4.340 -0.004 0.000 0.205 29 Q C 1.866 177.899 176.000 0.056 0.000 0.980 29 Q CA 1.716 57.468 55.803 -0.084 0.000 0.862 29 Q CB -0.069 28.690 28.738 0.035 0.000 0.905 29 Q HN 0.809 nan 8.270 nan 0.000 0.429 30 H N -1.249 117.792 119.070 -0.049 0.000 2.355 30 H HA 0.126 4.679 4.556 -0.004 0.000 0.303 30 H C 2.115 177.445 175.328 0.003 0.000 1.061 30 H CA 0.442 56.433 56.048 -0.095 0.000 1.368 30 H CB -0.037 29.351 29.762 -0.624 0.000 1.412 30 H HN 0.324 nan 8.280 nan 0.000 0.523 31 A N 1.677 124.532 122.820 0.058 0.000 1.927 31 A HA -0.285 4.033 4.320 -0.004 0.000 0.220 31 A C 2.052 179.716 177.584 0.133 0.000 1.185 31 A CA 2.136 54.303 52.037 0.217 0.000 0.639 31 A CB -0.502 18.573 19.000 0.125 0.000 0.820 31 A HN 0.506 nan 8.150 nan 0.000 0.451 32 E N -1.901 118.347 120.200 0.081 0.000 2.204 32 E HA -0.184 4.164 4.350 -0.004 0.000 0.194 32 E C 1.890 178.574 176.600 0.141 0.000 0.989 32 E CA 1.016 57.461 56.400 0.074 0.000 0.824 32 E CB -0.241 29.485 29.700 0.043 0.000 0.756 32 E HN 0.914 nan 8.360 nan 0.000 0.477 33 H N -0.073 119.040 119.070 0.071 0.000 2.294 33 H HA -0.090 4.464 4.556 -0.004 0.000 0.306 33 H C 2.220 177.600 175.328 0.086 0.000 1.065 33 H CA 1.415 57.524 56.048 0.101 0.000 1.343 33 H CB 0.322 30.189 29.762 0.174 0.000 1.396 33 H HN 0.034 nan 8.280 nan 0.000 0.506 34 V N 0.264 120.213 119.914 0.058 0.000 2.324 34 V HA -0.233 3.885 4.120 -0.004 0.000 0.250 34 V C 2.574 178.599 176.094 -0.114 0.000 1.060 34 V CA 1.526 63.804 62.300 -0.036 0.000 1.042 34 V CB -1.109 30.665 31.823 -0.082 0.000 0.650 34 V HN 0.237 nan 8.190 nan 0.000 0.450 35 V N 0.872 120.669 119.914 -0.194 0.000 2.244 35 V HA -0.220 3.898 4.120 -0.004 0.000 0.244 35 V C 2.522 178.545 176.094 -0.119 0.000 1.042 35 V CA 2.534 64.660 62.300 -0.291 0.000 1.006 35 V CB -1.013 30.639 31.823 -0.286 0.000 0.641 35 V HN 0.500 nan 8.190 nan 0.000 0.446 36 N N 0.346 119.034 118.700 -0.021 0.000 2.104 36 N HA -0.133 4.605 4.740 -0.004 0.000 0.190 36 N C 1.812 177.340 175.510 0.029 0.000 1.024 36 N CA 1.632 54.696 53.050 0.022 0.000 0.853 36 N CB -0.598 37.933 38.487 0.073 0.000 1.008 36 N HN 0.475 nan 8.380 nan 0.000 0.424 37 A N 0.684 123.538 122.820 0.057 0.000 1.865 37 A HA -0.122 4.196 4.320 -0.004 0.000 0.217 37 A C 2.307 179.862 177.584 -0.049 0.000 1.191 37 A CA 1.201 53.254 52.037 0.027 0.000 0.623 37 A CB -0.898 18.095 19.000 -0.013 0.000 0.826 37 A HN 0.275 nan 8.150 nan 0.000 0.444 38 L N -0.352 120.813 121.223 -0.096 0.000 2.093 38 L HA -0.170 4.168 4.340 -0.004 0.000 0.208 38 L C 2.250 179.023 176.870 -0.161 0.000 1.085 38 L CA 1.070 55.796 54.840 -0.189 0.000 0.755 38 L CB -0.507 41.425 42.059 -0.212 0.000 0.904 38 L HN 0.401 nan 8.230 nan 0.000 0.435 39 N N -0.691 117.947 118.700 -0.104 0.000 2.309 39 N HA -0.117 4.621 4.740 -0.004 0.000 0.182 39 N C 1.747 177.224 175.510 -0.054 0.000 1.018 39 N CA 1.922 54.930 53.050 -0.071 0.000 0.876 39 N CB -0.037 38.423 38.487 -0.045 0.000 0.972 39 N HN 0.469 nan 8.380 nan 0.000 0.434 40 T N -2.006 112.520 114.554 -0.046 0.000 3.039 40 T HA 0.208 4.556 4.350 -0.004 0.000 0.250 40 T C 1.479 176.154 174.700 -0.042 0.000 1.052 40 T CA 0.228 62.309 62.100 -0.031 0.000 1.125 40 T CB 0.313 69.177 68.868 -0.007 0.000 0.908 40 T HN 0.032 nan 8.240 nan 0.000 0.473 41 E N 1.318 121.480 120.200 -0.063 0.000 2.307 41 E HA 0.309 4.657 4.350 -0.004 0.000 0.195 41 E C 2.262 178.799 176.600 -0.104 0.000 0.975 41 E CA 0.693 57.056 56.400 -0.062 0.000 0.878 41 E CB 0.070 29.745 29.700 -0.043 0.000 0.845 41 E HN 0.583 nan 8.360 nan 0.000 0.488 42 A N 1.197 123.893 122.820 -0.206 0.000 2.081 42 A HA -0.019 4.299 4.320 -0.004 0.000 0.214 42 A C 0.736 178.224 177.584 -0.159 0.000 1.158 42 A CA 0.218 52.059 52.037 -0.327 0.000 0.724 42 A CB -0.129 18.495 19.000 -0.625 0.000 0.826 42 A HN 0.124 nan 8.150 nan 0.000 0.463 43 K N -0.826 119.507 120.400 -0.112 0.000 3.257 43 K HA -0.153 4.164 4.320 -0.004 0.000 0.270 43 K C -0.905 175.639 176.600 -0.094 0.000 0.984 43 K CA 0.360 56.598 56.287 -0.081 0.000 0.739 43 K CB -1.871 30.597 32.500 -0.054 0.000 1.351 43 K HN 0.531 nan 8.250 nan 0.000 0.463 44 L N -0.056 121.103 121.223 -0.107 0.000 2.375 44 L HA 0.166 4.504 4.340 -0.004 0.000 0.271 44 L C -0.745 176.041 176.870 -0.140 0.000 1.107 44 L CA -2.082 52.695 54.840 -0.105 0.000 0.806 44 L CB 0.451 42.462 42.059 -0.081 0.000 1.146 44 L HN -0.063 nan 8.230 nan 0.000 0.447 45 P HA -0.166 nan 4.420 nan 0.000 0.219 45 P C -0.103 177.007 177.300 -0.316 0.000 1.153 45 P CA 1.069 63.877 63.100 -0.487 0.000 0.865 45 P CB -0.018 31.317 31.700 -0.607 0.000 0.788 46 C N -5.004 114.254 119.300 -0.069 0.000 3.321 46 C HA 0.611 5.069 4.460 -0.004 0.000 0.329 46 C C -0.383 174.656 174.990 0.081 0.000 1.394 46 C CA -1.806 57.256 59.018 0.074 0.000 1.291 46 C CB 1.231 29.115 27.740 0.240 0.000 1.606 46 C HN 0.210 nan 8.230 nan 0.000 0.463 47 K N 0.769 121.228 120.400 0.099 0.000 2.230 47 K HA 0.560 4.877 4.320 -0.004 0.000 0.253 47 K C -1.306 175.364 176.600 0.116 0.000 1.008 47 K CA -0.159 56.174 56.287 0.077 0.000 0.910 47 K CB 0.431 32.970 32.500 0.065 0.000 0.994 47 K HN 0.750 nan 8.250 nan 0.000 0.495 48 L N 2.662 123.934 121.223 0.083 0.000 2.294 48 L HA 0.251 4.588 4.340 -0.004 0.000 0.283 48 L C -1.026 175.900 176.870 0.093 0.000 1.015 48 L CA -1.039 53.875 54.840 0.123 0.000 0.831 48 L CB 1.915 44.003 42.059 0.048 0.000 1.217 48 L HN 0.429 nan 8.230 nan 0.000 0.420 49 V N 4.782 124.774 119.914 0.131 0.000 2.368 49 V HA 0.170 4.288 4.120 -0.004 0.000 0.266 49 V C 0.237 176.362 176.094 0.052 0.000 1.045 49 V CA -0.587 61.723 62.300 0.018 0.000 0.899 49 V CB 1.286 33.036 31.823 -0.122 0.000 1.006 49 V HN 0.439 nan 8.190 nan 0.000 0.470 50 L N 7.080 128.338 121.223 0.059 0.000 2.453 50 L HA 0.367 4.705 4.340 -0.004 0.000 0.272 50 L C 0.153 177.026 176.870 0.005 0.000 1.182 50 L CA 0.803 55.725 54.840 0.136 0.000 0.858 50 L CB 0.140 42.267 42.059 0.113 0.000 1.120 50 L HN 0.495 nan 8.230 nan 0.000 0.474 51 K N 4.559 124.979 120.400 0.034 0.000 2.295 51 K HA 0.600 4.917 4.320 -0.004 0.000 0.239 51 K C -2.443 174.141 176.600 -0.027 0.000 0.991 51 K CA -1.874 54.379 56.287 -0.056 0.000 0.845 51 K CB 0.980 33.456 32.500 -0.040 0.000 1.197 51 K HN 0.397 nan 8.250 nan 0.000 0.441 52 P HA 0.139 nan 4.420 nan 0.000 0.270 52 P C -0.283 176.980 177.300 -0.061 0.000 1.223 52 P CA -0.290 62.777 63.100 -0.055 0.000 0.785 52 P CB 0.364 32.029 31.700 -0.058 0.000 0.923 53 L N 1.147 122.322 121.223 -0.080 0.000 2.499 53 L HA 0.163 4.501 4.340 -0.004 0.000 0.273 53 L C 1.404 178.204 176.870 -0.116 0.000 1.195 53 L CA -0.068 54.712 54.840 -0.101 0.000 0.882 53 L CB -0.379 41.613 42.059 -0.111 0.000 1.133 53 L HN 0.501 nan 8.230 nan 0.000 0.483 54 G N 1.365 110.078 108.800 -0.145 0.000 2.621 54 G HA2 0.277 4.235 3.960 -0.004 0.000 0.306 54 G HA3 0.277 4.235 3.960 -0.004 0.000 0.306 54 G C 0.904 175.683 174.900 -0.202 0.000 0.893 54 G CA 0.092 45.047 45.100 -0.241 0.000 1.486 54 G HN 0.854 nan 8.290 nan 0.000 0.477 55 T N -0.944 113.511 114.554 -0.164 0.000 3.038 55 T HA 0.150 4.497 4.350 -0.004 0.000 0.244 55 T C 1.371 175.997 174.700 -0.122 0.000 1.016 55 T CA 0.935 62.965 62.100 -0.118 0.000 1.098 55 T CB 0.099 68.916 68.868 -0.085 0.000 0.954 55 T HN 0.561 nan 8.240 nan 0.000 0.469 56 T N -0.393 114.077 114.554 -0.139 0.000 2.948 56 T HA 0.558 4.906 4.350 -0.004 0.000 0.285 56 T C -2.009 172.586 174.700 -0.176 0.000 1.019 56 T CA -1.943 60.082 62.100 -0.124 0.000 1.013 56 T CB 1.835 70.649 68.868 -0.090 0.000 1.117 56 T HN -0.176 nan 8.240 nan 0.000 0.533 57 P HA -0.101 nan 4.420 nan 0.000 0.213 57 P C 0.859 178.075 177.300 -0.141 0.000 1.170 57 P CA 1.343 64.356 63.100 -0.146 0.000 0.902 57 P CB -0.135 31.519 31.700 -0.077 0.000 0.789 58 D N -0.209 120.132 120.400 -0.097 0.000 2.158 58 D HA -0.176 4.462 4.640 -0.004 0.000 0.197 58 D C 2.038 178.283 176.300 -0.091 0.000 0.995 58 D CA 1.168 55.122 54.000 -0.078 0.000 0.846 58 D CB -0.577 40.189 40.800 -0.057 0.000 0.941 58 D HN 0.377 nan 8.370 nan 0.000 0.456 59 E N -0.366 119.764 120.200 -0.116 0.000 2.106 59 E HA -0.090 4.257 4.350 -0.004 0.000 0.192 59 E C 2.234 178.741 176.600 -0.155 0.000 0.984 59 E CA 0.466 56.795 56.400 -0.119 0.000 0.806 59 E CB 0.006 29.629 29.700 -0.127 0.000 0.750 59 E HN 0.325 nan 8.360 nan 0.000 0.458 60 I N 0.668 121.082 120.570 -0.260 0.000 2.252 60 I HA -0.221 3.946 4.170 -0.004 0.000 0.245 60 I C 2.285 178.296 176.117 -0.176 0.000 1.102 60 I CA 1.040 62.123 61.300 -0.362 0.000 1.385 60 I CB -0.247 37.321 38.000 -0.720 0.000 1.064 60 I HN 0.065 nan 8.210 nan 0.000 0.414 61 T N 0.755 115.234 114.554 -0.125 0.000 2.821 61 T HA -0.109 4.239 4.350 -0.004 0.000 0.267 61 T C 2.077 176.767 174.700 -0.016 0.000 1.046 61 T CA 1.313 63.383 62.100 -0.050 0.000 1.139 61 T CB -0.278 68.565 68.868 -0.042 0.000 0.871 61 T HN 0.456 nan 8.240 nan 0.000 0.454 62 A N 1.492 124.299 122.820 -0.022 0.000 1.845 62 A HA -0.017 4.301 4.320 -0.004 0.000 0.215 62 A C 2.259 179.885 177.584 0.070 0.000 1.195 62 A CA 1.242 53.287 52.037 0.014 0.000 0.616 62 A CB -0.919 18.081 19.000 -0.001 0.000 0.832 62 A HN 0.478 nan 8.150 nan 0.000 0.443 63 I N -0.385 120.225 120.570 0.068 0.000 2.185 63 I HA -0.415 3.752 4.170 -0.004 0.000 0.246 63 I C 2.542 178.770 176.117 0.185 0.000 1.088 63 I CA 1.505 62.912 61.300 0.178 0.000 1.347 63 I CB -0.420 37.647 38.000 0.111 0.000 1.041 63 I HN 0.427 nan 8.210 nan 0.000 0.415 64 C N -0.042 119.309 119.300 0.086 0.000 2.476 64 C HA -0.121 4.337 4.460 -0.004 0.000 0.278 64 C C 2.962 177.979 174.990 0.046 0.000 1.274 64 C CA 0.898 59.950 59.018 0.058 0.000 1.713 64 C CB -1.062 26.712 27.740 0.056 0.000 2.039 64 C HN 0.503 nan 8.230 nan 0.000 0.484 65 R N 1.491 122.026 120.500 0.058 0.000 2.115 65 R HA -0.205 4.133 4.340 -0.004 0.000 0.239 65 R C 1.588 177.952 176.300 0.108 0.000 1.133 65 R CA 2.720 58.857 56.100 0.062 0.000 0.935 65 R CB -0.672 29.651 30.300 0.038 0.000 0.853 65 R HN 0.443 nan 8.270 nan 0.000 0.433 66 D N 0.512 121.012 120.400 0.166 0.000 2.104 66 D HA -0.148 4.490 4.640 -0.004 0.000 0.194 66 D C 1.909 178.284 176.300 0.125 0.000 0.994 66 D CA 1.752 55.937 54.000 0.307 0.000 0.830 66 D CB -0.540 40.571 40.800 0.518 0.000 0.959 66 D HN 0.492 nan 8.370 nan 0.000 0.452 67 A N 0.986 123.686 122.820 -0.201 0.000 1.978 67 A HA -0.216 4.102 4.320 -0.004 0.000 0.220 67 A C 1.972 179.343 177.584 -0.355 0.000 1.170 67 A CA 1.424 53.003 52.037 -0.764 0.000 0.636 67 A CB -0.541 18.125 19.000 -0.556 0.000 0.810 67 A HN 0.231 nan 8.150 nan 0.000 0.448 68 N N -2.140 116.496 118.700 -0.107 0.000 2.250 68 N HA -0.111 4.627 4.740 -0.004 0.000 0.181 68 N C 1.725 177.257 175.510 0.036 0.000 1.017 68 N CA 1.464 54.499 53.050 -0.026 0.000 0.866 68 N CB -0.236 38.267 38.487 0.026 0.000 0.985 68 N HN 0.716 nan 8.380 nan 0.000 0.429 69 Y N 1.787 122.074 120.300 -0.022 0.000 2.263 69 Y HA -0.041 4.507 4.550 -0.004 0.000 0.292 69 Y C 0.285 176.208 175.900 0.039 0.000 1.130 69 Y CA 0.666 58.779 58.100 0.023 0.000 1.179 69 Y CB -0.011 38.478 38.460 0.049 0.000 0.998 69 Y HN -0.161 nan 8.280 nan 0.000 0.532 70 D N 1.205 121.609 120.400 0.005 0.000 2.344 70 D HA 0.013 4.650 4.640 -0.004 0.000 0.253 70 D C 0.280 176.545 176.300 -0.059 0.000 1.255 70 D CA 0.117 54.110 54.000 -0.012 0.000 0.894 70 D CB 0.441 41.416 40.800 0.292 0.000 1.067 70 D HN 0.272 nan 8.370 nan 0.000 0.492 71 D N 3.737 124.072 120.400 -0.109 0.000 2.350 71 D HA -0.066 4.572 4.640 -0.004 0.000 0.216 71 D C -1.167 175.132 176.300 -0.001 0.000 0.968 71 D CA 0.463 54.438 54.000 -0.040 0.000 0.894 71 D CB -0.363 40.392 40.800 -0.075 0.000 0.909 71 D HN 0.499 nan 8.370 nan 0.000 0.520 72 P HA 0.108 nan 4.420 nan 0.000 0.268 72 P C 0.019 177.450 177.300 0.217 0.000 1.329 72 P CA -0.201 62.898 63.100 -0.002 0.000 0.899 72 P CB -0.171 31.493 31.700 -0.060 0.000 1.378 73 C N 1.136 120.515 119.300 0.132 0.000 2.416 73 C HA 0.592 5.050 4.460 -0.004 0.000 0.355 73 C C 1.889 176.888 174.990 0.016 0.000 1.211 73 C CA 0.080 59.078 59.018 -0.033 0.000 1.699 73 C CB -1.581 25.804 27.740 -0.592 0.000 2.310 73 C HN 0.358 nan 8.230 nan 0.000 0.539 74 A N 4.426 127.302 122.820 0.093 0.000 2.132 74 A HA 0.588 4.906 4.320 -0.004 0.000 0.213 74 A C 1.076 178.617 177.584 -0.072 0.000 1.154 74 A CA 0.846 52.883 52.037 0.001 0.000 0.753 74 A CB -0.258 18.712 19.000 -0.051 0.000 0.826 74 A HN 1.556 nan 8.150 nan 0.000 0.469 75 G N -1.802 106.994 108.800 -0.007 0.000 2.328 75 G HA2 0.436 4.394 3.960 -0.004 0.000 0.295 75 G HA3 0.436 4.394 3.960 -0.004 0.000 0.295 75 G C -1.455 173.585 174.900 0.233 0.000 1.413 75 G CA -0.925 44.237 45.100 0.103 0.000 0.817 75 G HN 0.259 nan 8.290 nan 0.000 0.546 76 L N 0.448 121.854 121.223 0.304 0.000 2.295 76 L HA 0.643 4.981 4.340 -0.004 0.000 0.285 76 L C -0.058 176.991 176.870 0.298 0.000 1.035 76 L CA -1.146 53.870 54.840 0.293 0.000 0.806 76 L CB 1.683 43.865 42.059 0.204 0.000 1.214 76 L HN 0.269 nan 8.230 nan 0.000 0.426 77 V N 4.007 124.086 119.914 0.275 0.000 2.394 77 V HA 0.413 4.531 4.120 -0.004 0.000 0.282 77 V C -0.164 175.911 176.094 -0.032 0.000 1.031 77 V CA -0.552 61.819 62.300 0.118 0.000 0.881 77 V CB 2.275 34.283 31.823 0.308 0.000 0.982 77 V HN 0.499 nan 8.190 nan 0.000 0.451 78 V N 6.254 126.090 119.914 -0.129 0.000 2.588 78 V HA 0.744 4.862 4.120 -0.004 0.000 0.304 78 V C -1.760 174.215 176.094 -0.198 0.000 1.042 78 V CA -0.403 61.749 62.300 -0.247 0.000 0.877 78 V CB 1.837 33.465 31.823 -0.326 0.000 0.996 78 V HN 0.950 nan 8.190 nan 0.000 0.425 79 W N 7.488 128.507 121.300 -0.468 0.000 2.739 79 W HA 0.708 5.366 4.660 -0.004 0.000 0.331 79 W C -1.974 174.360 176.519 -0.308 0.000 1.049 79 W CA -1.601 55.529 57.345 -0.358 0.000 1.234 79 W CB 1.679 30.970 29.460 -0.282 0.000 1.404 79 W HN 0.499 nan 8.180 nan 0.000 0.477 80 L N 7.443 128.484 121.223 -0.303 0.000 2.314 80 L HA 0.165 4.503 4.340 -0.004 0.000 0.275 80 L C 1.721 178.304 176.870 -0.479 0.000 1.068 80 L CA -0.319 54.288 54.840 -0.387 0.000 0.894 80 L CB 0.318 42.218 42.059 -0.266 0.000 1.275 80 L HN 0.716 nan 8.230 nan 0.000 0.432 81 H N 2.259 120.817 119.070 -0.853 0.000 2.267 81 H HA -0.124 4.430 4.556 -0.004 0.000 0.302 81 H C 1.657 176.764 175.328 -0.368 0.000 1.056 81 H CA 2.143 57.687 56.048 -0.839 0.000 1.269 81 H CB 0.522 29.696 29.762 -0.979 0.000 1.385 81 H HN 0.777 nan 8.280 nan 0.000 0.501 82 T N 0.050 114.429 114.554 -0.292 0.000 2.754 82 T HA 0.088 4.436 4.350 -0.004 0.000 0.238 82 T C 0.224 174.922 174.700 -0.004 0.000 1.091 82 T CA 1.284 63.266 62.100 -0.195 0.000 1.358 82 T CB -0.151 nan 68.868 nan 0.000 1.006 82 T HN 0.326 nan 8.240 nan 0.000 0.411 83 F N 1.275 121.165 119.950 -0.101 0.000 2.925 83 F HA 0.384 4.908 4.527 -0.004 0.000 0.347 83 F C -1.236 174.592 175.800 0.047 0.000 1.187 83 F CA -0.923 57.064 58.000 -0.021 0.000 1.189 83 F CB 1.291 40.325 39.000 0.056 0.000 1.479 83 F HN 0.224 nan 8.300 nan 0.000 0.645 84 S N 5.564 121.091 115.700 -0.289 0.000 2.516 84 S HA 0.525 4.993 4.470 -0.004 0.000 0.268 84 S C -2.924 171.546 174.600 -0.216 0.000 1.251 84 S CA -1.696 56.421 58.200 -0.137 0.000 1.153 84 S CB 0.812 64.180 63.200 0.281 0.000 1.009 84 S HN 0.343 nan 8.310 nan 0.000 0.479 85 P HA -0.029 nan 4.420 nan 0.000 0.257 85 P C 0.805 178.161 177.300 0.092 0.000 1.153 85 P CA 0.382 63.322 63.100 -0.268 0.000 0.762 85 P CB 0.225 31.816 31.700 -0.182 0.000 0.743 86 A N 4.807 127.699 122.820 0.120 0.000 2.168 86 A HA -0.139 4.179 4.320 -0.004 0.000 0.215 86 A C 2.006 179.761 177.584 0.284 0.000 1.152 86 A CA 1.018 53.200 52.037 0.243 0.000 0.716 86 A CB -0.684 18.380 19.000 0.108 0.000 0.794 86 A HN 0.465 nan 8.150 nan 0.000 0.465 87 K N -0.597 119.914 120.400 0.185 0.000 2.209 87 K HA -0.048 4.270 4.320 -0.004 0.000 0.204 87 K C 1.791 178.470 176.600 0.132 0.000 1.048 87 K CA 1.285 57.654 56.287 0.137 0.000 0.940 87 K CB -0.217 32.335 32.500 0.087 0.000 0.729 87 K HN 0.554 nan 8.250 nan 0.000 0.451 88 M N -1.247 118.441 119.600 0.147 0.000 2.229 88 M HA -0.168 4.310 4.480 -0.004 0.000 0.264 88 M C 1.055 177.350 176.300 -0.008 0.000 1.063 88 M CA 1.460 56.777 55.300 0.028 0.000 1.114 88 M CB -0.226 32.337 32.600 -0.061 0.000 1.387 88 M HN 0.209 nan 8.290 nan 0.000 0.420 89 W N 0.200 121.526 121.300 0.044 0.000 2.905 89 W HA 0.053 4.711 4.660 -0.004 0.000 0.251 89 W C 1.892 178.440 176.519 0.047 0.000 1.305 89 W CA -0.120 57.269 57.345 0.074 0.000 1.465 89 W CB -0.373 29.177 29.460 0.150 0.000 1.122 89 W HN 0.076 nan 8.180 nan 0.000 0.659 90 I N 1.100 121.794 120.570 0.205 0.000 2.076 90 I HA -0.358 3.810 4.170 -0.004 0.000 0.237 90 I C 2.013 178.181 176.117 0.085 0.000 1.059 90 I CA 1.635 63.007 61.300 0.121 0.000 1.317 90 I CB -1.494 36.554 38.000 0.079 0.000 1.037 90 I HN 0.113 nan 8.210 nan 0.000 0.398 91 N N 1.018 119.751 118.700 0.055 0.000 2.149 91 N HA -0.139 4.599 4.740 -0.004 0.000 0.188 91 N C 1.904 177.439 175.510 0.042 0.000 1.019 91 N CA 1.656 54.726 53.050 0.034 0.000 0.857 91 N CB -0.471 38.024 38.487 0.013 0.000 0.997 91 N HN 0.472 nan 8.380 nan 0.000 0.426 92 G N 1.943 110.773 108.800 0.050 0.000 2.464 92 G HA2 -0.146 3.812 3.960 -0.004 0.000 0.214 92 G HA3 -0.146 3.812 3.960 -0.004 0.000 0.214 92 G C 1.698 176.667 174.900 0.114 0.000 1.218 92 G CA 0.259 45.397 45.100 0.064 0.000 0.794 92 G HN 0.173 nan 8.290 nan 0.000 0.542 93 L N 0.597 121.928 121.223 0.180 0.000 2.127 93 L HA -0.114 4.224 4.340 -0.004 0.000 0.211 93 L C 3.150 180.085 176.870 0.109 0.000 1.089 93 L CA 1.419 56.373 54.840 0.189 0.000 0.757 93 L CB -0.603 41.587 42.059 0.218 0.000 0.899 93 L HN 0.204 nan 8.230 nan 0.000 0.434 94 T N 0.213 114.812 114.554 0.076 0.000 2.777 94 T HA -0.194 4.154 4.350 -0.004 0.000 0.266 94 T C 1.739 176.463 174.700 0.039 0.000 1.040 94 T CA 1.812 63.937 62.100 0.042 0.000 1.141 94 T CB -0.141 68.744 68.868 0.029 0.000 0.868 94 T HN 0.482 nan 8.240 nan 0.000 0.444 95 M N 0.269 119.896 119.600 0.045 0.000 2.541 95 M HA 0.297 4.775 4.480 -0.004 0.000 0.252 95 M C 0.587 176.912 176.300 0.042 0.000 1.125 95 M CA 0.343 55.665 55.300 0.037 0.000 1.091 95 M CB -0.377 32.242 32.600 0.032 0.000 1.420 95 M HN 0.028 nan 8.290 nan 0.000 0.486 96 L N 3.556 124.815 121.223 0.060 0.000 2.565 96 L HA 0.232 4.570 4.340 -0.004 0.000 0.275 96 L C 0.986 177.885 176.870 0.048 0.000 1.137 96 L CA 0.894 55.771 54.840 0.061 0.000 0.915 96 L CB -0.204 41.916 42.059 0.103 0.000 1.232 96 L HN 0.412 nan 8.230 nan 0.000 0.473 97 N N 4.059 122.773 118.700 0.025 0.000 2.336 97 N HA 0.068 4.806 4.740 -0.004 0.000 0.189 97 N C 0.559 176.072 175.510 0.006 0.000 1.113 97 N CA 0.338 53.396 53.050 0.014 0.000 0.858 97 N CB -0.099 38.391 38.487 0.005 0.000 0.970 97 N HN 0.624 nan 8.380 nan 0.000 0.471 98 K N 1.222 121.626 120.400 0.007 0.000 2.207 98 K HA 0.418 4.736 4.320 -0.004 0.000 0.255 98 K C -2.498 174.140 176.600 0.063 0.000 0.941 98 K CA -2.002 54.286 56.287 0.001 0.000 0.825 98 K CB 2.420 34.887 32.500 -0.055 0.000 1.119 98 K HN 0.111 nan 8.250 nan 0.000 0.430 99 P HA 0.024 nan 4.420 nan 0.000 0.270 99 P C -1.061 176.474 177.300 0.392 0.000 1.223 99 P CA -0.247 62.990 63.100 0.229 0.000 0.785 99 P CB 0.694 32.514 31.700 0.200 0.000 0.923 100 L N 1.432 122.883 121.223 0.380 0.000 2.388 100 L HA 0.681 5.019 4.340 -0.004 0.000 0.264 100 L C -1.345 175.407 176.870 -0.197 0.000 0.998 100 L CA -1.053 53.854 54.840 0.111 0.000 0.817 100 L CB 2.046 44.022 42.059 -0.138 0.000 1.338 100 L HN 0.276 nan 8.230 nan 0.000 0.414 101 L N 3.554 124.467 121.223 -0.517 0.000 2.476 101 L HA 0.415 4.753 4.340 -0.004 0.000 0.269 101 L C -1.109 175.555 176.870 -0.344 0.000 0.965 101 L CA -0.274 54.123 54.840 -0.739 0.000 0.845 101 L CB 1.801 42.856 42.059 -1.674 0.000 1.259 101 L HN 0.686 nan 8.230 nan 0.000 0.403 102 Q N 4.241 123.942 119.800 -0.164 0.000 2.389 102 Q HA 0.137 4.475 4.340 -0.004 0.000 0.244 102 Q C -1.257 174.799 176.000 0.093 0.000 1.056 102 Q CA -0.587 55.188 55.803 -0.046 0.000 0.908 102 Q CB 0.584 29.358 28.738 0.061 0.000 1.273 102 Q HN 0.579 nan 8.270 nan 0.000 0.471 103 F N 4.951 124.863 119.950 -0.062 0.000 2.462 103 F HA 0.097 4.622 4.527 -0.004 0.000 0.360 103 F C -0.642 175.191 175.800 0.056 0.000 1.134 103 F CA -0.626 57.379 58.000 0.008 0.000 1.148 103 F CB 0.060 39.090 39.000 0.049 0.000 1.147 103 F HN 0.546 nan 8.300 nan 0.000 0.550 104 H N 4.332 123.349 119.070 -0.088 0.000 2.908 104 H HA 0.358 4.912 4.556 -0.004 0.000 0.269 104 H C -0.355 174.731 175.328 -0.404 0.000 1.303 104 H CA 0.300 56.247 56.048 -0.167 0.000 1.341 104 H CB 0.127 29.878 29.762 -0.019 0.000 1.519 104 H HN 0.699 nan 8.280 nan 0.000 0.505 105 T N 2.527 116.562 114.554 -0.865 0.000 2.838 105 T HA 0.367 4.715 4.350 -0.004 0.000 0.292 105 T C -0.903 173.388 174.700 -0.682 0.000 1.113 105 T CA -0.662 60.859 62.100 -0.966 0.000 1.008 105 T CB 1.848 69.679 68.868 -1.728 0.000 1.259 105 T HN 0.662 nan 8.240 nan 0.000 0.520 106 Q N 0.028 119.508 119.800 -0.533 0.000 2.712 106 Q HA 0.546 4.884 4.340 -0.004 0.000 0.267 106 Q C 0.284 175.989 176.000 -0.493 0.000 1.062 106 Q CA -0.729 54.902 55.803 -0.286 0.000 0.888 106 Q CB 1.368 30.024 28.738 -0.135 0.000 1.374 106 Q HN 0.725 nan 8.270 nan 0.000 0.498 107 F N 0.507 120.254 119.950 -0.338 0.000 2.113 107 F HA -0.095 4.429 4.527 -0.004 0.000 0.297 107 F C 0.343 175.577 175.800 -0.943 0.000 1.103 107 F CA 1.054 58.758 58.000 -0.494 0.000 1.248 107 F CB 0.423 39.311 39.000 -0.186 0.000 0.999 107 F HN 0.638 nan 8.300 nan 0.000 0.475 108 N N -1.228 117.328 118.700 -0.239 0.000 2.519 108 N HA 0.413 5.151 4.740 -0.004 0.000 0.291 108 N C -0.224 175.431 175.510 0.243 0.000 1.107 108 N CA -0.115 52.975 53.050 0.068 0.000 0.904 108 N CB 1.587 40.082 38.487 0.014 0.000 1.500 108 N HN -0.007 nan 8.380 nan 0.000 0.510 109 A N 1.434 124.575 122.820 0.535 0.000 2.125 109 A HA 0.380 4.698 4.320 -0.004 0.000 0.219 109 A C 0.982 178.668 177.584 0.169 0.000 1.156 109 A CA 1.529 53.798 52.037 0.387 0.000 0.671 109 A CB -0.522 18.610 19.000 0.221 0.000 0.794 109 A HN 0.966 nan 8.150 nan 0.000 0.459 110 A N -3.315 119.560 122.820 0.091 0.000 2.534 110 A HA 0.738 5.056 4.320 -0.004 0.000 0.300 110 A C -0.927 176.559 177.584 -0.163 0.000 1.223 110 A CA 0.104 52.141 52.037 -0.001 0.000 0.666 110 A CB 0.052 19.068 19.000 0.027 0.000 1.316 110 A HN 1.528 nan 8.150 nan 0.000 0.468 111 L N 0.160 121.163 121.223 -0.366 0.000 2.325 111 L HA 0.832 5.169 4.340 -0.004 0.000 0.281 111 L C -2.886 173.221 176.870 -1.271 0.000 1.004 111 L CA -2.028 52.296 54.840 -0.859 0.000 0.823 111 L CB 0.831 nan 42.059 nan 0.000 1.236 111 L HN 0.493 nan 8.230 nan 0.000 0.415 112 P HA 0.302 nan 4.420 nan 0.000 0.277 112 P C -0.133 176.787 177.300 -0.632 0.000 1.354 112 P CA 0.036 62.717 63.100 -0.698 0.000 0.891 112 P CB 0.069 31.422 31.700 -0.579 0.000 1.058 113 W N 1.941 123.180 121.300 -0.101 0.000 2.494 113 W HA 0.010 4.668 4.660 -0.004 0.000 0.286 113 W C 2.190 178.666 176.519 -0.072 0.000 1.218 113 W CA 1.219 58.519 57.345 -0.075 0.000 1.313 113 W CB -0.715 28.716 29.460 -0.048 0.000 1.105 113 W HN 0.240 nan 8.180 nan 0.000 0.561 114 D N -0.536 119.932 120.400 0.112 0.000 2.346 114 D HA 0.074 4.712 4.640 -0.004 0.000 0.206 114 D C 1.081 177.363 176.300 -0.030 0.000 1.001 114 D CA 0.637 54.663 54.000 0.043 0.000 0.871 114 D CB -0.287 40.538 40.800 0.043 0.000 0.943 114 D HN 0.047 nan 8.370 nan 0.000 0.518 115 S N -0.152 115.486 115.700 -0.104 0.000 2.438 115 S HA 0.422 4.889 4.470 -0.004 0.000 0.227 115 S C -0.466 173.980 174.600 -0.258 0.000 1.265 115 S CA -0.300 57.809 58.200 -0.153 0.000 1.265 115 S CB -0.238 62.862 63.200 -0.166 0.000 0.987 115 S HN 0.573 nan 8.310 nan 0.000 0.502 116 I N 0.328 120.776 120.570 -0.202 0.000 2.436 116 I HA 0.732 4.899 4.170 -0.004 0.000 0.289 116 I C -0.439 175.637 176.117 -0.068 0.000 1.010 116 I CA -0.178 60.972 61.300 -0.250 0.000 1.098 116 I CB 1.030 38.896 38.000 -0.223 0.000 1.266 116 I HN 0.228 nan 8.210 nan 0.000 0.434 117 D N 4.956 125.367 120.400 0.018 0.000 2.585 117 D HA 0.464 5.102 4.640 -0.004 0.000 0.254 117 D C 0.311 176.701 176.300 0.149 0.000 1.067 117 D CA -0.374 53.676 54.000 0.082 0.000 1.090 117 D CB 1.303 nan 40.800 nan 0.000 1.408 117 D HN 0.676 nan 8.370 nan 0.000 0.554 118 M N -0.226 119.434 119.600 0.101 0.000 2.288 118 M HA 0.057 4.535 4.480 -0.004 0.000 0.266 118 M C 1.163 177.514 176.300 0.084 0.000 1.072 118 M CA 1.314 56.666 55.300 0.087 0.000 1.132 118 M CB -0.193 32.438 32.600 0.051 0.000 1.386 118 M HN 0.577 nan 8.290 nan 0.000 0.432 119 D N -0.601 119.852 120.400 0.089 0.000 2.149 119 D HA -0.210 4.428 4.640 -0.004 0.000 0.198 119 D C 1.776 178.136 176.300 0.101 0.000 0.990 119 D CA 1.342 55.391 54.000 0.081 0.000 0.839 119 D CB -0.476 40.373 40.800 0.081 0.000 0.948 119 D HN 0.438 nan 8.370 nan 0.000 0.460 120 F N 0.616 120.570 119.950 0.007 0.000 2.146 120 F HA -0.141 4.384 4.527 -0.004 0.000 0.298 120 F C 2.104 177.905 175.800 0.001 0.000 1.096 120 F CA 1.059 59.059 58.000 0.001 0.000 1.275 120 F CB -0.036 38.949 39.000 -0.024 0.000 1.008 120 F HN -0.186 nan 8.300 nan 0.000 0.480 121 M N 1.100 120.751 119.600 0.084 0.000 2.394 121 M HA -0.084 4.393 4.480 -0.004 0.000 0.264 121 M C 2.254 178.509 176.300 -0.074 0.000 1.073 121 M CA 1.283 56.577 55.300 -0.010 0.000 1.111 121 M CB -2.459 30.204 32.600 0.105 0.000 1.401 121 M HN 0.485 nan 8.290 nan 0.000 0.448 122 N N 0.868 119.540 118.700 -0.048 0.000 2.069 122 N HA 0.101 4.839 4.740 -0.004 0.000 0.191 122 N C 0.971 176.429 175.510 -0.088 0.000 1.031 122 N CA 1.952 54.980 53.050 -0.037 0.000 0.852 122 N CB -0.670 37.814 38.487 -0.005 0.000 1.018 122 N HN 0.331 nan 8.380 nan 0.000 0.423 123 L N -1.949 119.174 121.223 -0.166 0.000 2.346 123 L HA 0.783 5.121 4.340 -0.004 0.000 0.276 123 L C 0.883 177.486 176.870 -0.446 0.000 1.006 123 L CA -0.201 54.511 54.840 -0.213 0.000 0.817 123 L CB -0.244 nan 42.059 nan 0.000 1.272 123 L HN 1.699 nan 8.230 nan 0.000 0.421 124 N N 1.898 120.199 118.700 -0.665 0.000 2.413 124 N HA 0.151 4.889 4.740 -0.004 0.000 0.282 124 N C -0.195 174.995 175.510 -0.534 0.000 1.368 124 N CA 0.912 53.485 53.050 -0.795 0.000 0.627 124 N CB -1.947 nan 38.487 nan 0.000 0.899 124 N HN 2.084 nan 8.380 nan 0.000 0.517 125 Q N -0.825 118.704 119.800 -0.452 0.000 3.214 125 Q HA 0.348 4.686 4.340 -0.004 0.000 0.277 125 Q C 0.633 176.335 176.000 -0.495 0.000 0.737 125 Q CA 0.003 55.555 55.803 -0.419 0.000 0.971 125 Q CB -0.335 28.189 28.738 -0.357 0.000 1.528 125 Q HN 0.494 nan 8.270 nan 0.000 0.375 126 T N -0.479 113.891 114.554 -0.307 0.000 3.023 126 T HA -0.055 4.293 4.350 -0.004 0.000 0.266 126 T C 2.023 176.597 174.700 -0.210 0.000 1.093 126 T CA 1.101 63.061 62.100 -0.233 0.000 1.129 126 T CB 0.082 68.864 68.868 -0.143 0.000 0.899 126 T HN 0.564 nan 8.240 nan 0.000 0.491 127 A N 2.902 125.605 122.820 -0.195 0.000 1.903 127 A HA -0.262 4.056 4.320 -0.004 0.000 0.219 127 A C 2.148 179.794 177.584 0.103 0.000 1.191 127 A CA 2.135 54.177 52.037 0.008 0.000 0.638 127 A CB -0.836 18.192 19.000 0.047 0.000 0.823 127 A HN 0.833 nan 8.150 nan 0.000 0.451 128 H N -2.946 116.160 119.070 0.060 0.000 2.388 128 H HA 0.136 4.690 4.556 -0.004 0.000 0.304 128 H C 2.322 177.742 175.328 0.153 0.000 1.049 128 H CA 0.961 57.036 56.048 0.046 0.000 1.371 128 H CB -1.114 28.588 29.762 -0.099 0.000 1.436 128 H HN 0.359 nan 8.280 nan 0.000 0.544 129 G N 1.051 109.859 108.800 0.014 0.000 2.469 129 G HA2 -0.274 3.683 3.960 -0.004 0.000 0.220 129 G HA3 -0.274 3.683 3.960 -0.004 0.000 0.220 129 G C 1.911 176.947 174.900 0.226 0.000 1.136 129 G CA 0.981 46.283 45.100 0.338 0.000 0.759 129 G HN 0.589 nan 8.290 nan 0.000 0.562 130 G N 0.267 109.189 108.800 0.204 0.000 2.408 130 G HA2 -0.138 3.820 3.960 -0.004 0.000 0.217 130 G HA3 -0.138 3.820 3.960 -0.004 0.000 0.217 130 G C 1.941 176.995 174.900 0.257 0.000 1.150 130 G CA 0.739 46.022 45.100 0.304 0.000 0.776 130 G HN 0.450 nan 8.290 nan 0.000 0.542 131 R N -0.064 120.570 120.500 0.225 0.000 2.066 131 R HA -0.003 4.335 4.340 -0.004 0.000 0.232 131 R C 2.440 178.853 176.300 0.189 0.000 1.131 131 R CA 0.992 57.183 56.100 0.151 0.000 0.955 131 R CB -0.306 30.071 30.300 0.128 0.000 0.851 131 R HN 0.236 nan 8.270 nan 0.000 0.432 132 E N 0.335 120.677 120.200 0.238 0.000 2.130 132 E HA -0.229 4.119 4.350 -0.004 0.000 0.196 132 E C 1.665 178.400 176.600 0.225 0.000 0.998 132 E CA 1.290 57.833 56.400 0.238 0.000 0.806 132 E CB -0.111 29.773 29.700 0.308 0.000 0.738 132 E HN 0.217 nan 8.360 nan 0.000 0.459 133 F N 0.491 120.453 119.950 0.020 0.000 2.163 133 F HA -0.020 4.505 4.527 -0.004 0.000 0.297 133 F C 2.163 177.949 175.800 -0.023 0.000 1.094 133 F CA 1.683 59.621 58.000 -0.104 0.000 1.290 133 F CB -0.514 38.337 39.000 -0.249 0.000 1.017 133 F HN 0.009 nan 8.300 nan 0.000 0.483 134 G N 0.034 108.896 108.800 0.104 0.000 2.440 134 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.218 134 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.218 134 G C 1.703 176.550 174.900 -0.088 0.000 1.154 134 G CA 0.906 46.008 45.100 0.002 0.000 0.767 134 G HN 0.499 nan 8.290 nan 0.000 0.552 135 F N 1.088 120.971 119.950 -0.112 0.000 2.065 135 F HA -0.168 4.357 4.527 -0.004 0.000 0.298 135 F C 2.268 177.963 175.800 -0.174 0.000 1.112 135 F CA 1.913 59.846 58.000 -0.112 0.000 1.212 135 F CB -0.222 38.744 39.000 -0.056 0.000 0.975 135 F HN 0.137 nan 8.300 nan 0.000 0.476 136 I N 1.055 121.382 120.570 -0.404 0.000 2.315 136 I HA -0.051 4.117 4.170 -0.004 0.000 0.248 136 I C 2.513 178.273 176.117 -0.594 0.000 1.117 136 I CA 1.745 62.717 61.300 -0.547 0.000 1.404 136 I CB -1.218 36.637 38.000 -0.241 0.000 1.071 136 I HN 0.247 nan 8.210 nan 0.000 0.419 137 G N -0.144 108.248 108.800 -0.680 0.000 2.442 137 G HA2 -0.254 3.704 3.960 -0.004 0.000 0.219 137 G HA3 -0.254 3.704 3.960 -0.004 0.000 0.219 137 G C 1.703 176.241 174.900 -0.604 0.000 1.141 137 G CA 0.778 45.328 45.100 -0.917 0.000 0.763 137 G HN 0.574 nan 8.290 nan 0.000 0.554 138 A N 0.107 122.644 122.820 -0.471 0.000 1.898 138 A HA 0.142 4.460 4.320 -0.004 0.000 0.214 138 A C 2.431 179.780 177.584 -0.393 0.000 1.183 138 A CA 1.491 53.316 52.037 -0.353 0.000 0.622 138 A CB -0.329 18.522 19.000 -0.248 0.000 0.824 138 A HN 0.191 nan 8.150 nan 0.000 0.444 139 R N -0.175 119.963 120.500 -0.604 0.000 2.073 139 R HA 0.016 4.354 4.340 -0.004 0.000 0.234 139 R C 1.966 178.051 176.300 -0.359 0.000 1.134 139 R CA 1.886 57.641 56.100 -0.575 0.000 0.952 139 R CB -0.689 29.041 30.300 -0.949 0.000 0.850 139 R HN 0.625 nan 8.270 nan 0.000 0.433 140 M N -0.706 118.677 119.600 -0.360 0.000 2.476 140 M HA 0.009 4.487 4.480 -0.004 0.000 0.262 140 M C 0.299 176.473 176.300 -0.211 0.000 1.079 140 M CA 0.591 55.745 55.300 -0.244 0.000 1.104 140 M CB 0.145 32.607 32.600 -0.230 0.000 1.409 140 M HN 0.008 nan 8.290 nan 0.000 0.467 141 R N 0.774 121.124 120.500 -0.249 0.000 3.656 141 R HA -0.131 4.207 4.340 -0.004 0.000 0.297 141 R C -0.579 175.624 176.300 -0.162 0.000 1.166 141 R CA 0.321 56.309 56.100 -0.186 0.000 0.799 141 R CB -1.653 28.570 30.300 -0.129 0.000 1.285 141 R HN 0.497 nan 8.270 nan 0.000 0.477 142 Q N -0.327 119.328 119.800 -0.242 0.000 2.317 142 Q HA 0.107 4.444 4.340 -0.004 0.000 0.229 142 Q C 0.996 176.917 176.000 -0.132 0.000 0.984 142 Q CA -0.417 55.280 55.803 -0.176 0.000 0.911 142 Q CB 1.004 29.606 28.738 -0.227 0.000 1.217 142 Q HN 0.251 nan 8.270 nan 0.000 0.501 143 Q N 0.707 120.531 119.800 0.041 0.000 1.889 143 Q HA -0.187 4.151 4.340 -0.004 0.000 0.211 143 Q C -0.645 175.454 176.000 0.165 0.000 0.988 143 Q CA 1.319 57.181 55.803 0.099 0.000 0.861 143 Q CB -0.005 28.823 28.738 0.149 0.000 0.922 143 Q HN 0.713 nan 8.270 nan 0.000 0.425 144 H N -0.468 118.615 119.070 0.022 0.000 3.074 144 H HA -0.126 4.428 4.556 -0.004 0.000 0.321 144 H C -0.539 174.778 175.328 -0.019 0.000 0.981 144 H CA -0.276 55.774 56.048 0.003 0.000 1.019 144 H CB -1.163 28.581 29.762 -0.031 0.000 1.593 144 H HN 0.525 nan 8.280 nan 0.000 0.355 145 A N 3.161 125.993 122.820 0.020 0.000 2.425 145 A HA 0.478 4.795 4.320 -0.004 0.000 0.242 145 A C 0.492 178.017 177.584 -0.098 0.000 1.077 145 A CA -0.069 51.926 52.037 -0.070 0.000 0.781 145 A CB 0.816 19.674 19.000 -0.236 0.000 1.020 145 A HN 0.305 nan 8.150 nan 0.000 0.494 146 V N 2.270 122.161 119.914 -0.039 0.000 2.638 146 V HA 0.470 4.588 4.120 -0.004 0.000 0.306 146 V C -0.599 175.514 176.094 0.032 0.000 1.052 146 V CA -0.494 61.808 62.300 0.003 0.000 0.885 146 V CB 1.740 33.577 31.823 0.022 0.000 0.999 146 V HN 0.674 nan 8.190 nan 0.000 0.424 147 V N 3.174 123.147 119.914 0.099 0.000 2.487 147 V HA 0.537 4.654 4.120 -0.004 0.000 0.298 147 V C 0.105 176.385 176.094 0.310 0.000 1.028 147 V CA -0.300 62.099 62.300 0.166 0.000 0.860 147 V CB 2.181 34.074 31.823 0.117 0.000 0.991 147 V HN 0.917 nan 8.190 nan 0.000 0.427 148 T N 3.500 118.198 114.554 0.240 0.000 2.824 148 T HA 0.841 5.189 4.350 -0.004 0.000 0.280 148 T C 0.227 175.078 174.700 0.253 0.000 0.995 148 T CA 0.125 62.379 62.100 0.257 0.000 1.009 148 T CB 1.519 70.507 68.868 0.201 0.000 0.955 148 T HN 1.253 nan 8.240 nan 0.000 0.452 149 G N -0.041 108.906 108.800 0.245 0.000 2.316 149 G HA2 0.476 4.434 3.960 -0.004 0.000 0.296 149 G HA3 0.476 4.434 3.960 -0.004 0.000 0.296 149 G C -1.141 173.898 174.900 0.232 0.000 1.399 149 G CA -0.480 44.759 45.100 0.232 0.000 0.833 149 G HN 1.066 nan 8.290 nan 0.000 0.565 150 H N -0.665 118.552 119.070 0.244 0.000 2.864 150 H HA 0.426 4.980 4.556 -0.004 0.000 0.281 150 H C 1.393 176.986 175.328 0.443 0.000 1.093 150 H CA 0.280 56.602 56.048 0.456 0.000 1.453 150 H CB -0.462 29.462 29.762 0.270 0.000 1.462 150 H HN 1.605 nan 8.280 nan 0.000 0.480 151 W N 1.477 122.892 121.300 0.192 0.000 2.159 151 W HA -0.413 4.245 4.660 -0.004 0.000 0.334 151 W C 1.276 177.918 176.519 0.206 0.000 1.387 151 W CA 1.969 59.503 57.345 0.314 0.000 1.454 151 W CB -0.189 29.340 29.460 0.115 0.000 1.080 151 W HN 0.644 nan 8.180 nan 0.000 0.498 152 Q N 0.677 119.817 119.800 -1.100 0.000 2.488 152 Q HA -0.100 4.237 4.340 -0.004 0.000 0.211 152 Q C 0.291 175.910 176.000 -0.634 0.000 0.967 152 Q CA 0.645 55.936 55.803 -0.854 0.000 0.926 152 Q CB -0.433 27.639 28.738 -1.109 0.000 0.992 152 Q HN 0.223 nan 8.270 nan 0.000 0.506 153 D N 0.751 120.828 120.400 -0.539 0.000 2.401 153 D HA 0.011 4.649 4.640 -0.004 0.000 0.254 153 D C 1.045 176.937 176.300 -0.679 0.000 1.192 153 D CA 0.436 54.180 54.000 -0.427 0.000 0.885 153 D CB 1.096 41.785 40.800 -0.186 0.000 1.147 153 D HN 0.104 nan 8.370 nan 0.000 0.478 154 K N 3.328 123.455 120.400 -0.456 0.000 2.009 154 K HA -0.254 4.063 4.320 -0.004 0.000 0.210 154 K C 2.260 178.731 176.600 -0.216 0.000 1.049 154 K CA 2.713 58.802 56.287 -0.330 0.000 0.929 154 K CB -1.656 30.751 32.500 -0.155 0.000 0.714 154 K HN 0.660 nan 8.250 nan 0.000 0.440 155 Q N -0.159 119.554 119.800 -0.146 0.000 2.112 155 Q HA 0.097 4.435 4.340 -0.004 0.000 0.206 155 Q C 2.663 178.628 176.000 -0.058 0.000 0.987 155 Q CA 2.770 58.530 55.803 -0.071 0.000 0.858 155 Q CB -1.152 27.562 28.738 -0.041 0.000 0.905 155 Q HN 1.088 nan 8.270 nan 0.000 0.420 156 A N -0.213 122.550 122.820 -0.096 0.000 1.968 156 A HA -0.092 4.226 4.320 -0.004 0.000 0.217 156 A C 1.984 179.534 177.584 -0.058 0.000 1.169 156 A CA 1.342 53.346 52.037 -0.055 0.000 0.638 156 A CB -0.597 18.412 19.000 0.013 0.000 0.812 156 A HN 0.855 nan 8.150 nan 0.000 0.446 157 H N -0.811 118.186 119.070 -0.122 0.000 2.290 157 H HA -0.127 4.427 4.556 -0.004 0.000 0.298 157 H C 2.132 177.411 175.328 -0.083 0.000 1.087 157 H CA 1.033 57.004 56.048 -0.128 0.000 1.291 157 H CB 0.073 29.775 29.762 -0.101 0.000 1.369 157 H HN 0.391 nan 8.280 nan 0.000 0.492 158 E N 0.895 121.141 120.200 0.077 0.000 2.086 158 E HA -0.196 4.152 4.350 -0.004 0.000 0.200 158 E C 2.338 178.963 176.600 0.042 0.000 1.012 158 E CA 1.023 57.447 56.400 0.040 0.000 0.812 158 E CB -0.020 29.693 29.700 0.021 0.000 0.743 158 E HN 0.430 nan 8.360 nan 0.000 0.453 159 R N 0.014 120.535 120.500 0.034 0.000 2.073 159 R HA -0.061 4.277 4.340 -0.004 0.000 0.234 159 R C 2.599 178.950 176.300 0.085 0.000 1.134 159 R CA 0.853 56.985 56.100 0.053 0.000 0.952 159 R CB -0.635 29.689 30.300 0.039 0.000 0.850 159 R HN 0.273 nan 8.270 nan 0.000 0.433 160 I N 0.121 120.713 120.570 0.036 0.000 2.315 160 I HA -0.155 4.013 4.170 -0.004 0.000 0.248 160 I C 2.527 178.757 176.117 0.189 0.000 1.117 160 I CA 1.465 62.808 61.300 0.072 0.000 1.404 160 I CB -0.613 37.329 38.000 -0.096 0.000 1.071 160 I HN 0.259 nan 8.210 nan 0.000 0.419 161 G N -0.546 108.312 108.800 0.097 0.000 2.408 161 G HA2 -0.258 3.700 3.960 -0.004 0.000 0.217 161 G HA3 -0.258 3.700 3.960 -0.004 0.000 0.217 161 G C 1.764 176.708 174.900 0.073 0.000 1.150 161 G CA 0.955 46.093 45.100 0.064 0.000 0.776 161 G HN 0.376 nan 8.290 nan 0.000 0.542 162 S N -0.696 115.064 115.700 0.099 0.000 2.382 162 S HA -0.141 4.327 4.470 -0.004 0.000 0.228 162 S C 1.942 176.629 174.600 0.146 0.000 1.027 162 S CA 1.529 59.789 58.200 0.099 0.000 0.991 162 S CB -0.374 62.888 63.200 0.104 0.000 0.823 162 S HN 0.604 nan 8.310 nan 0.000 0.469 163 W N 1.670 122.994 121.300 0.039 0.000 2.355 163 W HA -0.056 4.602 4.660 -0.004 0.000 0.309 163 W C 2.159 178.715 176.519 0.061 0.000 1.206 163 W CA 1.693 59.070 57.345 0.053 0.000 1.284 163 W CB -0.488 29.002 29.460 0.049 0.000 1.145 163 W HN 0.265 nan 8.180 nan 0.000 0.502 164 M N 0.067 119.740 119.600 0.122 0.000 2.144 164 M HA -0.262 4.216 4.480 -0.004 0.000 0.260 164 M C 2.334 178.569 176.300 -0.108 0.000 1.067 164 M CA 2.140 57.397 55.300 -0.072 0.000 1.095 164 M CB -0.620 32.051 32.600 0.119 0.000 1.365 164 M HN 0.035 nan 8.290 nan 0.000 0.406 165 R N -0.049 120.436 120.500 -0.025 0.000 2.081 165 R HA -0.167 4.171 4.340 -0.004 0.000 0.235 165 R C 2.254 178.570 176.300 0.027 0.000 1.131 165 R CA 1.414 57.566 56.100 0.086 0.000 0.960 165 R CB -0.000 30.335 30.300 0.059 0.000 0.856 165 R HN 0.359 nan 8.270 nan 0.000 0.436 166 Q N -0.061 119.679 119.800 -0.100 0.000 2.079 166 Q HA -0.076 4.262 4.340 -0.004 0.000 0.200 166 Q C 2.116 177.958 176.000 -0.262 0.000 0.974 166 Q CA 1.532 57.265 55.803 -0.117 0.000 0.840 166 Q CB -0.334 28.345 28.738 -0.098 0.000 0.898 166 Q HN 0.430 nan 8.270 nan 0.000 0.430 167 A N 0.492 122.991 122.820 -0.535 0.000 1.917 167 A HA -0.165 4.153 4.320 -0.004 0.000 0.219 167 A C 2.426 179.796 177.584 -0.358 0.000 1.182 167 A CA 1.827 53.523 52.037 -0.568 0.000 0.633 167 A CB -0.699 17.754 19.000 -0.911 0.000 0.819 167 A HN 0.223 nan 8.150 nan 0.000 0.448 168 V N -0.802 118.929 119.914 -0.305 0.000 2.453 168 V HA -0.165 3.953 4.120 -0.004 0.000 0.247 168 V C 2.763 178.592 176.094 -0.442 0.000 1.048 168 V CA 2.101 64.128 62.300 -0.454 0.000 1.049 168 V CB -0.601 31.050 31.823 -0.288 0.000 0.672 168 V HN 0.671 nan 8.190 nan 0.000 0.457 169 S N -0.287 115.281 115.700 -0.220 0.000 2.359 169 S HA -0.307 4.161 4.470 -0.004 0.000 0.224 169 S C 2.147 176.728 174.600 -0.031 0.000 1.035 169 S CA 2.291 60.429 58.200 -0.104 0.000 1.018 169 S CB -0.297 62.924 63.200 0.035 0.000 0.876 169 S HN 0.586 nan 8.310 nan 0.000 0.448 170 K N 0.152 120.529 120.400 -0.038 0.000 2.044 170 K HA -0.169 4.149 4.320 -0.004 0.000 0.210 170 K C 2.420 179.014 176.600 -0.010 0.000 1.049 170 K CA 1.742 58.028 56.287 -0.001 0.000 0.927 170 K CB -0.162 32.250 32.500 -0.146 0.000 0.713 170 K HN 0.334 nan 8.250 nan 0.000 0.443 171 Q N 0.563 120.289 119.800 -0.124 0.000 2.079 171 Q HA -0.172 4.166 4.340 -0.004 0.000 0.200 171 Q C 1.827 177.866 176.000 0.065 0.000 0.974 171 Q CA 1.698 57.468 55.803 -0.055 0.000 0.840 171 Q CB -0.395 28.248 28.738 -0.159 0.000 0.898 171 Q HN 0.457 nan 8.270 nan 0.000 0.430 172 D N -0.053 120.312 120.400 -0.059 0.000 2.117 172 D HA -0.114 4.524 4.640 -0.004 0.000 0.197 172 D C 1.541 177.880 176.300 0.066 0.000 0.987 172 D CA 1.654 55.683 54.000 0.048 0.000 0.829 172 D CB 0.124 40.869 40.800 -0.091 0.000 0.961 172 D HN 0.146 nan 8.370 nan 0.000 0.460 173 T N 0.338 114.934 114.554 0.070 0.000 2.759 173 T HA -0.141 4.207 4.350 -0.004 0.000 0.269 173 T C 1.943 176.725 174.700 0.138 0.000 1.042 173 T CA 0.738 62.921 62.100 0.137 0.000 1.140 173 T CB -0.145 68.877 68.868 0.258 0.000 0.864 173 T HN 0.156 nan 8.240 nan 0.000 0.455 174 R N 0.893 121.423 120.500 0.049 0.000 2.119 174 R HA -0.123 4.215 4.340 -0.004 0.000 0.246 174 R C 1.826 177.986 176.300 -0.234 0.000 1.146 174 R CA 1.416 57.438 56.100 -0.129 0.000 0.962 174 R CB -0.600 29.520 30.300 -0.299 0.000 0.863 174 R HN 0.638 nan 8.270 nan 0.000 0.442 175 H N -0.604 118.493 119.070 0.045 0.000 2.551 175 H HA 0.168 4.722 4.556 -0.004 0.000 0.271 175 H C 0.648 175.948 175.328 -0.048 0.000 0.984 175 H CA -0.308 55.751 56.048 0.017 0.000 1.164 175 H CB 0.128 29.892 29.762 0.003 0.000 1.437 175 H HN 0.069 nan 8.280 nan 0.000 0.550 176 L N 2.184 123.426 121.223 0.031 0.000 2.455 176 L HA 0.069 4.406 4.340 -0.004 0.000 0.272 176 L C -0.253 176.753 176.870 0.226 0.000 1.174 176 L CA 0.192 55.008 54.840 -0.040 0.000 0.869 176 L CB 0.333 42.396 42.059 0.006 0.000 1.130 176 L HN -0.025 nan 8.230 nan 0.000 0.474 177 K N 4.755 125.402 120.400 0.411 0.000 2.483 177 K HA 0.394 4.712 4.320 -0.004 0.000 0.256 177 K C -1.126 175.785 176.600 0.519 0.000 0.961 177 K CA -0.718 55.865 56.287 0.493 0.000 0.873 177 K CB 2.069 34.883 32.500 0.523 0.000 1.107 177 K HN 0.326 nan 8.250 nan 0.000 0.432 178 V N 2.160 122.303 119.914 0.382 0.000 2.607 178 V HA 0.181 4.298 4.120 -0.004 0.000 0.289 178 V C -0.066 176.133 176.094 0.176 0.000 1.053 178 V CA -0.781 61.679 62.300 0.266 0.000 0.996 178 V CB 1.321 33.276 31.823 0.219 0.000 0.995 178 V HN 0.906 nan 8.190 nan 0.000 0.476 179 C N 6.998 126.249 119.300 -0.082 0.000 2.322 179 C HA 0.623 5.081 4.460 -0.004 0.000 0.324 179 C C 0.041 174.806 174.990 -0.376 0.000 1.249 179 C CA -0.849 57.901 59.018 -0.446 0.000 1.453 179 C CB 0.080 26.918 27.740 -1.504 0.000 2.145 179 C HN 0.986 nan 8.230 nan 0.000 0.466 180 R N 3.953 124.318 120.500 -0.225 0.000 2.312 180 R HA 0.489 4.827 4.340 -0.004 0.000 0.311 180 R C -1.244 174.866 176.300 -0.318 0.000 1.004 180 R CA -0.195 55.807 56.100 -0.163 0.000 0.902 180 R CB 1.117 31.418 30.300 0.002 0.000 1.073 180 R HN 0.717 nan 8.270 nan 0.000 0.457 181 F N 2.258 122.273 119.950 0.109 0.000 2.318 181 F HA 0.384 4.908 4.527 -0.004 0.000 0.356 181 F C 1.065 176.904 175.800 0.065 0.000 1.109 181 F CA -0.018 58.018 58.000 0.061 0.000 1.234 181 F CB 1.304 40.309 39.000 0.009 0.000 1.545 181 F HN 0.837 nan 8.300 nan 0.000 0.534 182 G N 1.479 110.378 108.800 0.165 0.000 2.655 182 G HA2 -0.137 3.821 3.960 -0.004 0.000 0.680 182 G HA3 -0.137 3.821 3.960 -0.004 0.000 0.680 182 G C -1.490 173.457 174.900 0.079 0.000 1.302 182 G CA -0.994 44.173 45.100 0.111 0.000 0.872 182 G HN 0.404 nan 8.290 nan 0.000 0.540 183 D N -0.569 119.865 120.400 0.057 0.000 2.564 183 D HA 0.500 5.137 4.640 -0.004 0.000 0.273 183 D C 0.926 177.256 176.300 0.050 0.000 1.192 183 D CA -0.578 53.456 54.000 0.056 0.000 1.080 183 D CB 0.741 41.565 40.800 0.040 0.000 1.160 183 D HN 0.456 nan 8.370 nan 0.000 0.607 184 N N -0.064 118.674 118.700 0.064 0.000 2.453 184 N HA 0.073 4.811 4.740 -0.004 0.000 0.253 184 N C 0.158 175.661 175.510 -0.013 0.000 1.252 184 N CA 0.054 53.133 53.050 0.048 0.000 0.917 184 N CB 0.360 38.891 38.487 0.074 0.000 1.117 184 N HN 0.348 nan 8.380 nan 0.000 0.442 185 M N 1.633 121.205 119.600 -0.047 0.000 2.260 185 M HA -0.039 4.438 4.480 -0.004 0.000 0.348 185 M C -0.044 176.242 176.300 -0.023 0.000 1.342 185 M CA 0.235 55.473 55.300 -0.103 0.000 1.040 185 M CB 0.361 32.908 32.600 -0.087 0.000 1.810 185 M HN 0.382 nan 8.290 nan 0.000 0.453 186 R N 3.922 124.410 120.500 -0.021 0.000 2.640 186 R HA -0.041 4.297 4.340 -0.004 0.000 0.270 186 R C 0.354 176.670 176.300 0.026 0.000 1.024 186 R CA 0.216 56.324 56.100 0.012 0.000 1.085 186 R CB 0.230 30.542 30.300 0.019 0.000 0.963 186 R HN 0.772 nan 8.270 nan 0.000 0.426 187 E N -1.472 118.745 120.200 0.028 0.000 3.628 187 E HA -0.177 4.171 4.350 -0.004 0.000 0.309 187 E C -0.710 175.908 176.600 0.030 0.000 0.839 187 E CA 0.751 57.168 56.400 0.028 0.000 1.123 187 E CB -1.610 28.107 29.700 0.029 0.000 1.568 187 E HN 0.287 nan 8.360 nan 0.000 0.440 188 V N 0.132 120.066 119.914 0.033 0.000 2.539 188 V HA 0.542 4.660 4.120 -0.004 0.000 0.292 188 V C 1.282 177.399 176.094 0.037 0.000 1.045 188 V CA 0.596 62.919 62.300 0.038 0.000 0.945 188 V CB 1.681 33.534 31.823 0.049 0.000 0.993 188 V HN 0.296 nan 8.190 nan 0.000 0.464 189 A N 3.646 126.487 122.820 0.037 0.000 1.944 189 A HA 0.095 4.413 4.320 -0.004 0.000 0.209 189 A C 1.883 179.473 177.584 0.009 0.000 1.328 189 A CA 1.063 53.117 52.037 0.027 0.000 0.693 189 A CB -0.496 18.519 19.000 0.026 0.000 0.994 189 A HN 0.688 nan 8.150 nan 0.000 0.485 190 V N 1.133 121.051 119.914 0.006 0.000 2.453 190 V HA -0.230 3.888 4.120 -0.004 0.000 0.252 190 V C 2.529 178.557 176.094 -0.110 0.000 1.068 190 V CA 2.398 64.671 62.300 -0.046 0.000 1.070 190 V CB -2.027 29.753 31.823 -0.072 0.000 0.664 190 V HN 0.767 nan 8.190 nan 0.000 0.461 191 T N -4.108 110.385 114.554 -0.102 0.000 3.060 191 T HA 0.079 4.427 4.350 -0.004 0.000 0.249 191 T C 0.723 175.342 174.700 -0.136 0.000 1.079 191 T CA -0.003 61.994 62.100 -0.172 0.000 1.013 191 T CB -0.027 68.781 68.868 -0.100 0.000 0.975 191 T HN 0.431 nan 8.240 nan 0.000 0.518 192 D N 0.907 121.300 120.400 -0.011 0.000 2.414 192 D HA 0.605 5.243 4.640 -0.004 0.000 0.251 192 D C 0.616 177.004 176.300 0.147 0.000 1.252 192 D CA 0.990 55.059 54.000 0.115 0.000 0.999 192 D CB 1.330 42.190 40.800 0.099 0.000 1.093 192 D HN 0.550 nan 8.370 nan 0.000 0.515 193 G N 0.005 108.984 108.800 0.299 0.000 2.356 193 G HA2 0.082 4.040 3.960 -0.004 0.000 0.288 193 G HA3 0.082 4.040 3.960 -0.004 0.000 0.288 193 G C -1.691 173.473 174.900 0.441 0.000 1.302 193 G CA -0.616 44.701 45.100 0.362 0.000 0.887 193 G HN 0.442 nan 8.290 nan 0.000 0.521 194 D N 0.128 120.764 120.400 0.393 0.000 2.473 194 D HA 0.390 5.028 4.640 -0.004 0.000 0.226 194 D C 1.313 177.721 176.300 0.180 0.000 1.089 194 D CA -0.466 53.663 54.000 0.216 0.000 0.883 194 D CB 1.264 42.137 40.800 0.122 0.000 1.029 194 D HN 0.429 nan 8.370 nan 0.000 0.517 195 K N 1.490 121.830 120.400 -0.100 0.000 2.097 195 K HA -0.087 4.231 4.320 -0.004 0.000 0.206 195 K C 1.924 178.394 176.600 -0.216 0.000 1.049 195 K CA 0.808 56.820 56.287 -0.459 0.000 0.933 195 K CB 0.232 32.346 32.500 -0.643 0.000 0.717 195 K HN 0.238 nan 8.250 nan 0.000 0.442 196 V N 1.504 121.349 119.914 -0.115 0.000 2.282 196 V HA -0.329 3.789 4.120 -0.004 0.000 0.249 196 V C 2.368 178.438 176.094 -0.040 0.000 1.057 196 V CA 2.201 64.456 62.300 -0.076 0.000 1.032 196 V CB -0.772 31.022 31.823 -0.048 0.000 0.645 196 V HN 0.411 nan 8.190 nan 0.000 0.447 197 A N -0.256 122.583 122.820 0.032 0.000 1.902 197 A HA -0.109 4.209 4.320 -0.004 0.000 0.217 197 A C 2.411 180.079 177.584 0.140 0.000 1.181 197 A CA 2.135 54.229 52.037 0.096 0.000 0.623 197 A CB -0.778 18.311 19.000 0.148 0.000 0.818 197 A HN 0.598 nan 8.150 nan 0.000 0.443 198 A N -0.980 121.945 122.820 0.174 0.000 1.930 198 A HA -0.199 4.118 4.320 -0.004 0.000 0.217 198 A C 2.183 179.583 177.584 -0.305 0.000 1.175 198 A CA 1.765 53.812 52.037 0.017 0.000 0.627 198 A CB -0.530 18.496 19.000 0.043 0.000 0.815 198 A HN 0.653 nan 8.150 nan 0.000 0.443 199 Q N -0.438 119.186 119.800 -0.294 0.000 2.119 199 Q HA -0.096 4.242 4.340 -0.004 0.000 0.201 199 Q C 1.905 177.811 176.000 -0.157 0.000 0.972 199 Q CA 1.358 57.006 55.803 -0.259 0.000 0.847 199 Q CB -0.237 28.395 28.738 -0.176 0.000 0.903 199 Q HN 0.725 nan 8.270 nan 0.000 0.433 200 I N 0.605 121.106 120.570 -0.116 0.000 2.163 200 I HA -0.295 3.873 4.170 -0.004 0.000 0.243 200 I C 2.399 178.433 176.117 -0.138 0.000 1.085 200 I CA 1.296 62.539 61.300 -0.094 0.000 1.347 200 I CB -0.219 37.744 38.000 -0.061 0.000 1.044 200 I HN 0.126 nan 8.210 nan 0.000 0.408 201 K N 1.155 121.423 120.400 -0.220 0.000 2.021 201 K HA -0.062 4.256 4.320 -0.004 0.000 0.205 201 K C 1.619 177.896 176.600 -0.539 0.000 1.047 201 K CA 1.929 57.950 56.287 -0.444 0.000 0.943 201 K CB -0.293 31.786 32.500 -0.701 0.000 0.725 201 K HN 0.199 nan 8.250 nan 0.000 0.439 202 F N -1.560 118.277 119.950 -0.189 0.000 2.678 202 F HA 0.337 4.862 4.527 -0.004 0.000 0.291 202 F C 1.538 177.311 175.800 -0.045 0.000 1.123 202 F CA 0.345 58.271 58.000 -0.123 0.000 1.395 202 F CB 0.634 39.546 39.000 -0.147 0.000 1.121 202 F HN 0.283 nan 8.300 nan 0.000 0.592 203 G N 0.744 109.541 108.800 -0.005 0.000 2.194 203 G HA2 -0.287 3.671 3.960 -0.004 0.000 0.236 203 G HA3 -0.287 3.671 3.960 -0.004 0.000 0.236 203 G C 0.328 175.246 174.900 0.031 0.000 0.987 203 G CA -0.034 45.057 45.100 -0.014 0.000 0.635 203 G HN 0.354 nan 8.290 nan 0.000 0.520 204 F N 2.395 122.404 119.950 0.098 0.000 2.418 204 F HA 0.731 5.255 4.527 -0.004 0.000 0.341 204 F C 0.552 176.394 175.800 0.070 0.000 1.120 204 F CA -0.642 57.405 58.000 0.078 0.000 1.232 204 F CB 0.836 39.881 39.000 0.076 0.000 1.175 204 F HN 0.416 nan 8.300 nan 0.000 0.569 205 S N 1.939 117.814 115.700 0.292 0.000 2.549 205 S HA 0.822 5.290 4.470 -0.004 0.000 0.297 205 S C -1.080 173.652 174.600 0.221 0.000 1.115 205 S CA -0.743 57.554 58.200 0.163 0.000 1.059 205 S CB 1.734 65.032 63.200 0.163 0.000 1.046 205 S HN 0.767 nan 8.310 nan 0.000 0.506 206 V N 3.218 123.163 119.914 0.052 0.000 2.488 206 V HA 0.572 4.690 4.120 -0.004 0.000 0.293 206 V C -1.015 175.043 176.094 -0.061 0.000 1.027 206 V CA -0.657 61.637 62.300 -0.010 0.000 0.862 206 V CB 1.210 32.851 31.823 -0.303 0.000 1.008 206 V HN 0.984 nan 8.190 nan 0.000 0.428 207 N N 1.803 120.543 118.700 0.067 0.000 2.331 207 N HA 0.551 5.289 4.740 -0.004 0.000 0.280 207 N C -0.774 174.742 175.510 0.010 0.000 1.155 207 N CA -0.533 52.511 53.050 -0.012 0.000 0.822 207 N CB 2.846 41.327 38.487 -0.010 0.000 1.619 207 N HN 0.710 nan 8.380 nan 0.000 0.476 208 T N -1.637 112.795 114.554 -0.204 0.000 2.797 208 T HA 0.515 4.863 4.350 -0.004 0.000 0.279 208 T C -0.768 173.791 174.700 -0.235 0.000 0.991 208 T CA -0.596 61.440 62.100 -0.106 0.000 0.979 208 T CB 0.987 69.808 68.868 -0.078 0.000 0.943 208 T HN 0.321 nan 8.240 nan 0.000 0.444 209 W N 2.095 123.306 121.300 -0.148 0.000 2.551 209 W HA 0.610 5.267 4.660 -0.004 0.000 0.330 209 W C 0.524 177.059 176.519 0.027 0.000 1.063 209 W CA -1.323 56.015 57.345 -0.011 0.000 1.222 209 W CB 1.911 31.425 29.460 0.090 0.000 1.349 209 W HN 1.031 nan 8.180 nan 0.000 0.536 210 A N 2.209 125.169 122.820 0.232 0.000 2.540 210 A HA 0.131 4.449 4.320 -0.004 0.000 0.239 210 A C 0.949 178.665 177.584 0.220 0.000 1.061 210 A CA -0.115 52.028 52.037 0.175 0.000 0.758 210 A CB 0.608 19.685 19.000 0.128 0.000 0.991 210 A HN 0.586 nan 8.150 nan 0.000 0.502 211 V N 3.814 123.838 119.914 0.183 0.000 2.370 211 V HA -0.304 3.813 4.120 -0.004 0.000 0.252 211 V C 2.748 178.889 176.094 0.078 0.000 1.068 211 V CA 2.725 65.105 62.300 0.134 0.000 1.061 211 V CB -1.384 30.513 31.823 0.124 0.000 0.656 211 V HN 1.106 nan 8.190 nan 0.000 0.455 212 G N -0.637 108.220 108.800 0.095 0.000 2.442 212 G HA2 -0.295 3.662 3.960 -0.004 0.000 0.219 212 G HA3 -0.295 3.662 3.960 -0.004 0.000 0.219 212 G C 1.183 176.139 174.900 0.092 0.000 1.141 212 G CA 1.211 46.359 45.100 0.081 0.000 0.763 212 G HN 0.523 nan 8.290 nan 0.000 0.554 213 D N -0.057 120.430 120.400 0.145 0.000 2.077 213 D HA -0.100 4.538 4.640 -0.004 0.000 0.193 213 D C 2.370 178.743 176.300 0.121 0.000 0.989 213 D CA 0.600 54.732 54.000 0.220 0.000 0.831 213 D CB -0.565 40.487 40.800 0.421 0.000 0.979 213 D HN 0.142 nan 8.370 nan 0.000 0.449 214 L N 0.751 121.913 121.223 -0.102 0.000 2.034 214 L HA -0.202 4.136 4.340 -0.004 0.000 0.217 214 L C 2.225 179.006 176.870 -0.148 0.000 1.077 214 L CA 1.500 56.124 54.840 -0.359 0.000 0.769 214 L CB -0.795 40.863 42.059 -0.668 0.000 0.890 214 L HN -0.030 nan 8.230 nan 0.000 0.435 215 V N -0.746 119.117 119.914 -0.086 0.000 2.380 215 V HA -0.377 3.740 4.120 -0.004 0.000 0.251 215 V C 2.652 178.746 176.094 -0.000 0.000 1.063 215 V CA 2.042 64.317 62.300 -0.042 0.000 1.055 215 V CB -0.574 31.245 31.823 -0.007 0.000 0.657 215 V HN 0.613 nan 8.190 nan 0.000 0.455 216 Q N -0.731 119.093 119.800 0.039 0.000 2.084 216 Q HA -0.173 4.164 4.340 -0.004 0.000 0.202 216 Q C 2.167 178.204 176.000 0.062 0.000 0.978 216 Q CA 2.023 57.863 55.803 0.062 0.000 0.844 216 Q CB -0.086 28.711 28.738 0.099 0.000 0.898 216 Q HN 0.566 nan 8.270 nan 0.000 0.426 217 V N -0.849 119.114 119.914 0.083 0.000 2.488 217 V HA -0.177 3.941 4.120 -0.004 0.000 0.246 217 V C 2.081 178.188 176.094 0.022 0.000 1.046 217 V CA 1.157 63.507 62.300 0.083 0.000 1.053 217 V CB -0.226 31.707 31.823 0.183 0.000 0.679 217 V HN 0.208 nan 8.190 nan 0.000 0.458 218 V N 0.712 120.614 119.914 -0.020 0.000 2.343 218 V HA -0.196 3.922 4.120 -0.004 0.000 0.247 218 V C 2.055 178.136 176.094 -0.022 0.000 1.051 218 V CA 1.883 64.157 62.300 -0.044 0.000 1.036 218 V CB -0.824 30.949 31.823 -0.083 0.000 0.654 218 V HN 0.561 nan 8.190 nan 0.000 0.451 219 N N 0.499 119.194 118.700 -0.009 0.000 2.609 219 N HA -0.071 4.667 4.740 -0.004 0.000 0.190 219 N C 1.750 177.264 175.510 0.006 0.000 1.157 219 N CA 1.227 54.277 53.050 0.000 0.000 0.918 219 N CB -0.004 38.487 38.487 0.008 0.000 0.978 219 N HN 0.675 nan 8.380 nan 0.000 0.448 220 S N -1.134 114.571 115.700 0.008 0.000 2.512 220 S HA 0.192 4.660 4.470 -0.004 0.000 0.216 220 S C 0.572 175.174 174.600 0.002 0.000 1.006 220 S CA -0.438 57.768 58.200 0.010 0.000 0.915 220 S CB 0.424 63.636 63.200 0.020 0.000 0.824 220 S HN -0.104 nan 8.310 nan 0.000 0.497 221 I N 4.311 124.879 120.570 -0.004 0.000 2.588 221 I HA 0.210 4.378 4.170 -0.004 0.000 0.283 221 I C 1.022 177.132 176.117 -0.012 0.000 1.119 221 I CA -0.223 61.071 61.300 -0.010 0.000 1.419 221 I CB 0.567 38.556 38.000 -0.018 0.000 1.394 221 I HN 0.439 nan 8.210 nan 0.000 0.562 222 S N 4.254 119.946 115.700 -0.013 0.000 2.564 222 S HA 0.089 4.557 4.470 -0.004 0.000 0.278 222 S C 0.849 175.438 174.600 -0.018 0.000 1.333 222 S CA -0.592 57.600 58.200 -0.013 0.000 1.048 222 S CB 1.071 64.263 63.200 -0.013 0.000 0.900 222 S HN 0.535 nan 8.310 nan 0.000 0.505 223 D N 3.432 123.823 120.400 -0.015 0.000 2.133 223 D HA -0.093 4.545 4.640 -0.004 0.000 0.195 223 D C 2.115 178.401 176.300 -0.024 0.000 0.997 223 D CA 1.819 55.808 54.000 -0.017 0.000 0.840 223 D CB -1.018 39.774 40.800 -0.012 0.000 0.947 223 D HN 0.818 nan 8.370 nan 0.000 0.452 224 G N 1.197 109.984 108.800 -0.022 0.000 2.553 224 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.218 224 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.218 224 G C 1.390 176.268 174.900 -0.036 0.000 1.195 224 G CA 1.197 46.281 45.100 -0.027 0.000 0.779 224 G HN 0.182 nan 8.290 nan 0.000 0.577 225 D N -0.079 120.300 120.400 -0.035 0.000 2.144 225 D HA -0.066 4.572 4.640 -0.004 0.000 0.199 225 D C 2.806 179.069 176.300 -0.062 0.000 0.984 225 D CA 0.698 54.671 54.000 -0.044 0.000 0.834 225 D CB -0.339 40.440 40.800 -0.035 0.000 0.955 225 D HN 0.201 nan 8.370 nan 0.000 0.465 226 V N 1.794 121.676 119.914 -0.054 0.000 2.255 226 V HA -0.261 3.857 4.120 -0.004 0.000 0.247 226 V C 2.017 178.059 176.094 -0.088 0.000 1.051 226 V CA 1.630 63.892 62.300 -0.063 0.000 1.018 226 V CB -0.481 31.319 31.823 -0.038 0.000 0.641 226 V HN 0.138 nan 8.190 nan 0.000 0.445 227 N N 0.609 119.268 118.700 -0.068 0.000 2.166 227 N HA -0.108 4.630 4.740 -0.004 0.000 0.186 227 N C 1.841 177.293 175.510 -0.097 0.000 1.019 227 N CA 1.620 54.628 53.050 -0.070 0.000 0.856 227 N CB -0.671 37.788 38.487 -0.047 0.000 0.993 227 N HN 0.493 nan 8.380 nan 0.000 0.426 228 A N 0.864 123.628 122.820 -0.093 0.000 1.908 228 A HA -0.097 4.221 4.320 -0.004 0.000 0.218 228 A C 2.209 179.702 177.584 -0.151 0.000 1.181 228 A CA 1.056 53.034 52.037 -0.098 0.000 0.627 228 A CB -0.749 18.206 19.000 -0.075 0.000 0.818 228 A HN 0.242 nan 8.150 nan 0.000 0.445 229 L N -0.092 121.006 121.223 -0.209 0.000 2.046 229 L HA -0.093 4.245 4.340 -0.004 0.000 0.208 229 L C 2.370 178.886 176.870 -0.589 0.000 1.077 229 L CA 1.751 56.377 54.840 -0.357 0.000 0.747 229 L CB -0.449 41.388 42.059 -0.370 0.000 0.896 229 L HN 0.153 nan 8.230 nan 0.000 0.432 230 V N 0.037 119.668 119.914 -0.471 0.000 2.392 230 V HA -0.302 3.816 4.120 -0.004 0.000 0.249 230 V C 2.141 178.146 176.094 -0.149 0.000 1.059 230 V CA 1.878 63.972 62.300 -0.343 0.000 1.051 230 V CB -0.915 30.840 31.823 -0.113 0.000 0.658 230 V HN 0.471 nan 8.190 nan 0.000 0.455 231 D N -0.305 120.017 120.400 -0.130 0.000 2.178 231 D HA -0.187 4.450 4.640 -0.004 0.000 0.201 231 D C 2.121 178.380 176.300 -0.068 0.000 0.980 231 D CA 1.200 55.156 54.000 -0.073 0.000 0.842 231 D CB -0.128 40.631 40.800 -0.067 0.000 0.948 231 D HN 0.572 nan 8.370 nan 0.000 0.472 232 E N -0.747 119.382 120.200 -0.118 0.000 2.216 232 E HA -0.091 4.257 4.350 -0.004 0.000 0.192 232 E C 1.692 178.297 176.600 0.008 0.000 0.988 232 E CA 0.285 56.635 56.400 -0.083 0.000 0.834 232 E CB 0.079 29.717 29.700 -0.103 0.000 0.772 232 E HN 0.472 nan 8.360 nan 0.000 0.479 233 Y N 0.489 120.782 120.300 -0.011 0.000 2.220 233 Y HA -0.134 4.414 4.550 -0.003 0.000 0.291 233 Y C 2.410 178.334 175.900 0.041 0.000 1.129 233 Y CA 0.094 58.240 58.100 0.078 0.000 1.161 233 Y CB 0.201 38.774 38.460 0.189 0.000 0.997 233 Y HN 0.029 nan 8.280 nan 0.000 0.522 234 E N 0.349 120.652 120.200 0.171 0.000 2.085 234 E HA -0.191 4.156 4.350 -0.004 0.000 0.194 234 E C 2.222 178.840 176.600 0.030 0.000 0.994 234 E CA 1.741 58.194 56.400 0.088 0.000 0.801 234 E CB -0.446 29.278 29.700 0.040 0.000 0.743 234 E HN 0.467 nan 8.360 nan 0.000 0.453 235 S N -0.690 115.000 115.700 -0.016 0.000 2.470 235 S HA -0.014 4.454 4.470 -0.004 0.000 0.225 235 S C 2.247 176.775 174.600 -0.120 0.000 1.006 235 S CA 0.446 58.613 58.200 -0.055 0.000 0.934 235 S CB -0.237 62.929 63.200 -0.057 0.000 0.778 235 S HN 0.180 nan 8.310 nan 0.000 0.517 236 C N -0.032 119.121 119.300 -0.245 0.000 2.518 236 C HA 0.441 4.899 4.460 -0.004 0.000 0.283 236 C C 0.570 175.276 174.990 -0.473 0.000 1.351 236 C CA -0.334 58.374 59.018 -0.517 0.000 1.745 236 C CB -0.704 26.416 27.740 -1.033 0.000 2.107 236 C HN 0.627 nan 8.230 nan 0.000 0.502 237 Y N -0.943 119.376 120.300 0.033 0.000 2.662 237 Y HA 0.360 4.908 4.550 -0.003 0.000 0.335 237 Y C 0.412 176.321 175.900 0.014 0.000 1.066 237 Y CA -0.895 57.212 58.100 0.011 0.000 1.116 237 Y CB 0.566 39.018 38.460 -0.013 0.000 1.308 237 Y HN -0.302 nan 8.280 nan 0.000 0.502 238 T N 3.792 118.467 114.554 0.201 0.000 2.997 238 T HA 0.218 4.566 4.350 -0.004 0.000 0.311 238 T C -0.174 174.577 174.700 0.085 0.000 1.079 238 T CA -0.632 61.532 62.100 0.107 0.000 0.982 238 T CB -0.368 68.545 68.868 0.075 0.000 1.032 238 T HN 0.224 nan 8.240 nan 0.000 0.581 239 M N 4.052 123.702 119.600 0.084 0.000 2.268 239 M HA 0.123 4.600 4.480 -0.004 0.000 0.349 239 M C 1.263 177.583 176.300 0.034 0.000 1.485 239 M CA -0.187 55.149 55.300 0.060 0.000 1.094 239 M CB -0.703 31.936 32.600 0.065 0.000 1.843 239 M HN 0.626 nan 8.290 nan 0.000 0.460 240 T N 1.859 116.425 114.554 0.019 0.000 2.766 240 T HA 0.224 4.572 4.350 -0.004 0.000 0.295 240 T C -1.785 172.924 174.700 0.014 0.000 1.024 240 T CA -1.313 60.794 62.100 0.011 0.000 1.018 240 T CB 0.253 69.120 68.868 -0.001 0.000 1.002 240 T HN 0.375 nan 8.240 nan 0.000 0.532 241 P HA -0.132 nan 4.420 nan 0.000 0.215 241 P C 1.729 179.041 177.300 0.021 0.000 1.163 241 P CA 1.902 65.013 63.100 0.018 0.000 0.894 241 P CB -0.426 31.283 31.700 0.016 0.000 0.791 242 A N -1.501 121.328 122.820 0.015 0.000 2.019 242 A HA -0.167 4.151 4.320 -0.004 0.000 0.219 242 A C 2.276 179.870 177.584 0.016 0.000 1.164 242 A CA 2.208 54.254 52.037 0.016 0.000 0.644 242 A CB -1.814 17.191 19.000 0.008 0.000 0.805 242 A HN 0.167 nan 8.150 nan 0.000 0.449 243 T N 0.097 114.659 114.554 0.013 0.000 2.777 243 T HA -0.044 4.304 4.350 -0.004 0.000 0.266 243 T C 1.159 175.873 174.700 0.023 0.000 1.040 243 T CA 1.051 63.161 62.100 0.016 0.000 1.141 243 T CB -0.126 68.750 68.868 0.013 0.000 0.868 243 T HN 0.665 nan 8.240 nan 0.000 0.444 244 Q N 0.072 119.883 119.800 0.018 0.000 2.500 244 Q HA 0.355 4.693 4.340 -0.004 0.000 0.215 244 Q C 0.213 176.195 176.000 -0.031 0.000 1.062 244 Q CA -0.383 55.420 55.803 0.001 0.000 0.996 244 Q CB 0.453 29.190 28.738 -0.001 0.000 1.239 244 Q HN 0.364 nan 8.270 nan 0.000 0.578 245 I N 1.840 122.352 120.570 -0.097 0.000 2.993 245 I HA -0.284 3.884 4.170 -0.004 0.000 0.301 245 I C 0.224 176.197 176.117 -0.240 0.000 1.229 245 I CA 0.663 61.821 61.300 -0.236 0.000 1.435 245 I CB 0.135 37.897 38.000 -0.397 0.000 1.328 245 I HN 0.755 nan 8.210 nan 0.000 0.584 246 H N 1.272 120.350 119.070 0.013 0.000 3.329 246 H HA -0.163 4.391 4.556 -0.004 0.000 0.245 246 H C 0.647 175.981 175.328 0.010 0.000 1.099 246 H CA 0.687 56.741 56.048 0.010 0.000 1.186 246 H CB -2.204 27.563 29.762 0.008 0.000 1.243 246 H HN 0.732 nan 8.280 nan 0.000 0.319 247 G N -0.097 108.751 108.800 0.080 0.000 2.467 247 G HA2 0.391 4.349 3.960 -0.004 0.000 0.257 247 G HA3 0.391 4.349 3.960 -0.004 0.000 0.257 247 G C 0.981 175.909 174.900 0.046 0.000 1.227 247 G CA 0.412 45.544 45.100 0.054 0.000 0.835 247 G HN 0.474 nan 8.290 nan 0.000 0.556 248 E N 0.860 121.081 120.200 0.036 0.000 2.265 248 E HA -0.074 4.274 4.350 -0.004 0.000 0.196 248 E C 1.501 178.114 176.600 0.022 0.000 0.996 248 E CA 1.145 57.561 56.400 0.027 0.000 0.832 248 E CB -0.184 29.527 29.700 0.019 0.000 0.756 248 E HN 0.404 nan 8.360 nan 0.000 0.491 249 K N -0.584 119.828 120.400 0.020 0.000 2.758 249 K HA 0.240 4.558 4.320 -0.004 0.000 0.208 249 K C 1.238 177.850 176.600 0.019 0.000 1.091 249 K CA -0.164 56.133 56.287 0.016 0.000 1.059 249 K CB 1.072 33.577 32.500 0.010 0.000 0.801 249 K HN 0.129 nan 8.250 nan 0.000 0.470 250 R N 1.743 122.257 120.500 0.023 0.000 2.096 250 R HA -0.140 4.198 4.340 -0.004 0.000 0.235 250 R C 1.980 178.296 176.300 0.027 0.000 1.127 250 R CA 1.731 57.845 56.100 0.024 0.000 0.968 250 R CB -0.063 30.246 30.300 0.016 0.000 0.861 250 R HN 0.089 nan 8.270 nan 0.000 0.440 251 Q N 0.226 120.040 119.800 0.023 0.000 2.167 251 Q HA -0.048 4.289 4.340 -0.004 0.000 0.202 251 Q C 1.232 177.245 176.000 0.022 0.000 0.970 251 Q CA 2.020 57.835 55.803 0.021 0.000 0.855 251 Q CB -0.253 28.495 28.738 0.017 0.000 0.911 251 Q HN 0.461 nan 8.270 nan 0.000 0.438 252 N N -0.988 117.724 118.700 0.019 0.000 2.223 252 N HA -0.125 4.613 4.740 -0.004 0.000 0.185 252 N C 1.473 176.998 175.510 0.026 0.000 1.016 252 N CA 1.329 54.388 53.050 0.015 0.000 0.863 252 N CB -0.258 38.233 38.487 0.006 0.000 0.983 252 N HN 0.079 nan 8.380 nan 0.000 0.429 253 V N 0.862 120.802 119.914 0.043 0.000 2.358 253 V HA -0.148 3.969 4.120 -0.004 0.000 0.246 253 V C 2.116 178.285 176.094 0.125 0.000 1.047 253 V CA 1.260 63.614 62.300 0.090 0.000 1.035 253 V CB -0.534 31.357 31.823 0.112 0.000 0.658 253 V HN 0.274 nan 8.190 nan 0.000 0.452 254 L N -0.590 120.677 121.223 0.074 0.000 2.056 254 L HA -0.112 4.226 4.340 -0.004 0.000 0.207 254 L C 2.755 179.649 176.870 0.041 0.000 1.078 254 L CA 1.272 56.142 54.840 0.050 0.000 0.749 254 L CB -0.695 41.378 42.059 0.023 0.000 0.901 254 L HN 0.278 nan 8.230 nan 0.000 0.433 255 E N 0.500 120.718 120.200 0.030 0.000 2.058 255 E HA -0.225 4.123 4.350 -0.004 0.000 0.194 255 E C 2.318 178.928 176.600 0.018 0.000 0.997 255 E CA 1.460 57.869 56.400 0.014 0.000 0.801 255 E CB -0.384 29.320 29.700 0.006 0.000 0.746 255 E HN 0.460 nan 8.360 nan 0.000 0.450 256 A N 1.725 124.567 122.820 0.037 0.000 1.873 256 A HA -0.197 4.121 4.320 -0.004 0.000 0.218 256 A C 2.477 180.116 177.584 0.091 0.000 1.193 256 A CA 2.707 54.771 52.037 0.045 0.000 0.629 256 A CB -0.844 18.182 19.000 0.043 0.000 0.826 256 A HN 0.295 nan 8.150 nan 0.000 0.447 257 A N -0.555 122.361 122.820 0.160 0.000 1.883 257 A HA -0.206 4.112 4.320 -0.004 0.000 0.217 257 A C 2.282 179.884 177.584 0.030 0.000 1.186 257 A CA 1.907 54.027 52.037 0.138 0.000 0.624 257 A CB -0.581 18.446 19.000 0.045 0.000 0.822 257 A HN 0.581 nan 8.150 nan 0.000 0.444 258 R N -0.298 120.207 120.500 0.009 0.000 2.083 258 R HA -0.146 4.192 4.340 -0.004 0.000 0.237 258 R C 2.029 178.308 176.300 -0.035 0.000 1.137 258 R CA 1.967 58.057 56.100 -0.017 0.000 0.951 258 R CB -0.466 29.825 30.300 -0.015 0.000 0.851 258 R HN 0.546 nan 8.270 nan 0.000 0.434 259 I N 0.839 121.386 120.570 -0.038 0.000 2.127 259 I HA -0.316 3.852 4.170 -0.004 0.000 0.241 259 I C 2.658 178.713 176.117 -0.103 0.000 1.075 259 I CA 1.850 63.101 61.300 -0.082 0.000 1.334 259 I CB -0.424 37.527 38.000 -0.082 0.000 1.040 259 I HN 0.420 nan 8.210 nan 0.000 0.405 260 E N 1.083 121.250 120.200 -0.056 0.000 2.070 260 E HA -0.263 4.084 4.350 -0.004 0.000 0.197 260 E C 2.350 178.907 176.600 -0.072 0.000 1.004 260 E CA 1.506 57.872 56.400 -0.057 0.000 0.805 260 E CB -0.104 29.622 29.700 0.043 0.000 0.744 260 E HN 0.433 nan 8.360 nan 0.000 0.451 261 L N 0.009 121.205 121.223 -0.046 0.000 2.017 261 L HA -0.128 4.210 4.340 -0.004 0.000 0.208 261 L C 2.636 179.473 176.870 -0.054 0.000 1.073 261 L CA 1.328 56.142 54.840 -0.044 0.000 0.745 261 L CB -0.668 41.369 42.059 -0.037 0.000 0.894 261 L HN 0.316 nan 8.230 nan 0.000 0.432 262 G N -0.553 108.207 108.800 -0.066 0.000 2.459 262 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.217 262 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.217 262 G C 1.625 176.471 174.900 -0.089 0.000 1.183 262 G CA 0.804 45.867 45.100 -0.062 0.000 0.776 262 G HN 0.179 nan 8.290 nan 0.000 0.552 263 M N 0.002 119.476 119.600 -0.209 0.000 2.108 263 M HA -0.065 4.413 4.480 -0.004 0.000 0.261 263 M C 2.524 178.680 176.300 -0.240 0.000 1.066 263 M CA 1.647 56.742 55.300 -0.342 0.000 1.107 263 M CB -0.211 32.093 32.600 -0.494 0.000 1.356 263 M HN 0.225 nan 8.290 nan 0.000 0.406 264 K N 0.130 120.418 120.400 -0.187 0.000 1.965 264 K HA -0.204 4.113 4.320 -0.004 0.000 0.214 264 K C 2.042 178.616 176.600 -0.043 0.000 1.046 264 K CA 1.672 57.870 56.287 -0.148 0.000 0.944 264 K CB -0.134 32.320 32.500 -0.077 0.000 0.726 264 K HN 0.056 nan 8.250 nan 0.000 0.441 265 R N -0.259 120.235 120.500 -0.010 0.000 2.134 265 R HA -0.225 4.113 4.340 -0.004 0.000 0.248 265 R C 2.205 178.526 176.300 0.036 0.000 1.143 265 R CA 2.356 58.463 56.100 0.012 0.000 0.957 265 R CB -0.588 29.720 30.300 0.013 0.000 0.867 265 R HN 0.288 nan 8.270 nan 0.000 0.441 266 F N 0.469 120.378 119.950 -0.067 0.000 2.069 266 F HA -0.220 4.305 4.527 -0.003 0.000 0.298 266 F C 1.861 177.685 175.800 0.040 0.000 1.113 266 F CA 1.734 59.718 58.000 -0.027 0.000 1.214 266 F CB -0.221 38.756 39.000 -0.039 0.000 0.978 266 F HN -0.009 nan 8.300 nan 0.000 0.474 267 L N -0.027 121.362 121.223 0.276 0.000 2.046 267 L HA -0.220 4.118 4.340 -0.004 0.000 0.208 267 L C 2.403 179.387 176.870 0.190 0.000 1.077 267 L CA 1.600 56.628 54.840 0.313 0.000 0.747 267 L CB -0.776 41.286 42.059 0.006 0.000 0.896 267 L HN 0.217 nan 8.230 nan 0.000 0.432 268 E N -0.143 120.108 120.200 0.085 0.000 2.031 268 E HA -0.276 4.072 4.350 -0.004 0.000 0.193 268 E C 2.203 178.755 176.600 -0.081 0.000 0.994 268 E CA 1.356 57.780 56.400 0.040 0.000 0.800 268 E CB -0.220 29.503 29.700 0.038 0.000 0.752 268 E HN 0.580 nan 8.360 nan 0.000 0.447 269 Q N 0.067 119.790 119.800 -0.127 0.000 2.084 269 Q HA -0.096 4.241 4.340 -0.004 0.000 0.202 269 Q C 2.168 177.981 176.000 -0.312 0.000 0.978 269 Q CA 1.353 57.038 55.803 -0.197 0.000 0.844 269 Q CB -0.236 28.376 28.738 -0.210 0.000 0.898 269 Q HN 0.313 nan 8.270 nan 0.000 0.426 270 G N -0.532 107.998 108.800 -0.450 0.000 2.848 270 G HA2 0.153 4.111 3.960 -0.004 0.000 0.208 270 G HA3 0.153 4.111 3.960 -0.004 0.000 0.208 270 G C 0.813 175.062 174.900 -1.085 0.000 1.152 270 G CA 0.232 44.822 45.100 -0.849 0.000 0.789 270 G HN 0.487 nan 8.290 nan 0.000 0.531 271 G N -0.675 107.777 108.800 -0.580 0.000 2.249 271 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.273 271 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.273 271 G C 0.103 174.691 174.900 -0.521 0.000 1.036 271 G CA -0.015 44.818 45.100 -0.445 0.000 0.824 271 G HN 0.288 nan 8.290 nan 0.000 0.504 272 F N -0.486 119.364 119.950 -0.165 0.000 2.382 272 F HA 0.550 5.075 4.527 -0.003 0.000 0.331 272 F C 1.621 177.360 175.800 -0.102 0.000 1.121 272 F CA -0.333 57.637 58.000 -0.051 0.000 1.183 272 F CB 0.798 39.841 39.000 0.071 0.000 1.207 272 F HN 0.168 nan 8.300 nan 0.000 0.555 273 H N 0.438 119.782 119.070 0.456 0.000 3.241 273 H HA 0.605 5.159 4.556 -0.004 0.000 0.260 273 H C -0.043 175.508 175.328 0.372 0.000 1.084 273 H CA 0.346 56.568 56.048 0.289 0.000 1.203 273 H CB 0.883 30.727 29.762 0.137 0.000 1.524 273 H HN 0.525 nan 8.280 nan 0.000 0.521 274 A N 1.076 124.213 122.820 0.529 0.000 2.609 274 A HA 0.594 4.911 4.320 -0.004 0.000 0.291 274 A C -1.719 176.118 177.584 0.421 0.000 1.096 274 A CA -0.679 51.601 52.037 0.405 0.000 0.684 274 A CB 1.675 20.770 19.000 0.158 0.000 1.282 274 A HN 0.179 nan 8.150 nan 0.000 0.412 275 F N -1.545 118.507 119.950 0.169 0.000 2.741 275 F HA 0.866 5.391 4.527 -0.004 0.000 0.313 275 F C -0.318 175.584 175.800 0.171 0.000 1.153 275 F CA -0.105 57.966 58.000 0.119 0.000 0.931 275 F CB 1.126 40.242 39.000 0.194 0.000 1.335 275 F HN 0.998 nan 8.300 nan 0.000 0.460 276 T N -1.507 113.223 114.554 0.294 0.000 2.864 276 T HA 0.906 5.254 4.350 -0.004 0.000 0.289 276 T C -0.642 174.368 174.700 0.518 0.000 1.082 276 T CA -0.132 62.046 62.100 0.130 0.000 1.009 276 T CB 1.646 70.504 68.868 -0.017 0.000 1.234 276 T HN 1.387 nan 8.240 nan 0.000 0.526 277 T N -2.098 112.692 114.554 0.394 0.000 2.778 277 T HA 0.802 5.150 4.350 -0.004 0.000 0.293 277 T C -1.172 173.657 174.700 0.215 0.000 1.144 277 T CA -0.893 61.440 62.100 0.388 0.000 1.010 277 T CB 1.549 70.678 68.868 0.436 0.000 1.325 277 T HN 0.876 nan 8.240 nan 0.000 0.515 278 T N 1.827 116.476 114.554 0.157 0.000 3.395 278 T HA 0.331 4.679 4.350 -0.004 0.000 0.330 278 T C 0.389 175.086 174.700 -0.005 0.000 1.076 278 T CA -0.758 61.340 62.100 -0.003 0.000 1.070 278 T CB 0.750 69.589 68.868 -0.049 0.000 1.119 278 T HN 0.678 nan 8.240 nan 0.000 0.462 279 F N 1.132 121.151 119.950 0.114 0.000 2.365 279 F HA 0.184 4.709 4.527 -0.003 0.000 0.300 279 F C 1.617 177.443 175.800 0.044 0.000 1.090 279 F CA 0.680 58.721 58.000 0.067 0.000 1.408 279 F CB -0.638 38.395 39.000 0.056 0.000 1.060 279 F HN 0.532 nan 8.300 nan 0.000 0.534 280 E N -0.168 119.934 120.200 -0.164 0.000 2.418 280 E HA -0.112 4.236 4.350 -0.004 0.000 0.197 280 E C -0.116 176.511 176.600 0.045 0.000 1.026 280 E CA 0.787 57.177 56.400 -0.016 0.000 0.862 280 E CB -0.017 29.605 29.700 -0.129 0.000 0.799 280 E HN 0.278 nan 8.360 nan 0.000 0.518 281 D N -0.356 120.072 120.400 0.046 0.000 2.358 281 D HA 0.173 4.810 4.640 -0.004 0.000 0.253 281 D C -0.530 175.824 176.300 0.091 0.000 1.288 281 D CA -0.236 53.833 54.000 0.116 0.000 0.950 281 D CB 0.654 41.531 40.800 0.127 0.000 1.197 281 D HN -0.047 nan 8.370 nan 0.000 0.550 282 L N 2.671 123.909 121.223 0.025 0.000 3.298 282 L HA 0.216 4.554 4.340 -0.004 0.000 0.296 282 L C 0.493 177.348 176.870 -0.024 0.000 1.237 282 L CA -0.518 54.321 54.840 -0.002 0.000 1.038 282 L CB 0.294 42.344 42.059 -0.015 0.000 1.423 282 L HN 0.352 nan 8.230 nan 0.000 0.605 283 H N 1.414 120.501 119.070 0.029 0.000 3.157 283 H HA 0.048 4.602 4.556 -0.004 0.000 0.299 283 H C 1.248 176.583 175.328 0.011 0.000 0.961 283 H CA 1.611 57.672 56.048 0.023 0.000 1.428 283 H CB 0.748 30.526 29.762 0.027 0.000 1.459 283 H HN 0.443 nan 8.280 nan 0.000 0.566 284 G N 3.421 112.273 108.800 0.087 0.000 2.175 284 G HA2 -0.234 3.724 3.960 -0.004 0.000 0.244 284 G HA3 -0.234 3.724 3.960 -0.004 0.000 0.244 284 G C 0.118 175.022 174.900 0.005 0.000 0.982 284 G CA -0.234 44.895 45.100 0.048 0.000 0.641 284 G HN 0.524 nan 8.290 nan 0.000 0.527 285 L N 0.615 121.830 121.223 -0.013 0.000 2.296 285 L HA 0.455 4.793 4.340 -0.004 0.000 0.286 285 L C 1.586 178.437 176.870 -0.032 0.000 1.023 285 L CA -1.107 53.711 54.840 -0.037 0.000 0.812 285 L CB 1.460 43.484 42.059 -0.058 0.000 1.223 285 L HN -0.136 nan 8.230 nan 0.000 0.421 286 K N 2.013 122.396 120.400 -0.028 0.000 2.147 286 K HA -0.084 4.233 4.320 -0.004 0.000 0.205 286 K C 0.416 177.002 176.600 -0.024 0.000 1.049 286 K CA 1.178 57.453 56.287 -0.021 0.000 0.936 286 K CB 0.220 32.711 32.500 -0.015 0.000 0.722 286 K HN 0.732 nan 8.250 nan 0.000 0.446 287 Q N -0.729 119.054 119.800 -0.029 0.000 2.482 287 Q HA 0.267 4.605 4.340 -0.004 0.000 0.286 287 Q C -1.067 174.919 176.000 -0.025 0.000 1.007 287 Q CA -0.722 55.064 55.803 -0.028 0.000 0.801 287 Q CB 1.060 29.782 28.738 -0.028 0.000 1.455 287 Q HN 0.026 nan 8.270 nan 0.000 0.398 288 L N 2.295 123.512 121.223 -0.011 0.000 2.477 288 L HA 0.289 4.627 4.340 -0.004 0.000 0.272 288 L C -2.162 174.710 176.870 0.003 0.000 1.157 288 L CA -1.411 53.440 54.840 0.020 0.000 0.889 288 L CB 0.540 42.633 42.059 0.058 0.000 1.158 288 L HN 0.486 nan 8.230 nan 0.000 0.473 289 P HA -0.002 nan 4.420 nan 0.000 0.255 289 P C -0.101 177.178 177.300 -0.036 0.000 1.173 289 P CA 0.479 63.555 63.100 -0.040 0.000 0.780 289 P CB 0.800 32.466 31.700 -0.057 0.000 0.758 290 G N 2.560 111.330 108.800 -0.050 0.000 2.446 290 G HA2 -0.001 3.957 3.960 -0.004 0.000 0.200 290 G HA3 -0.001 3.957 3.960 -0.004 0.000 0.200 290 G C 1.100 175.957 174.900 -0.073 0.000 1.707 290 G CA -0.156 44.914 45.100 -0.050 0.000 0.697 290 G HN 0.450 nan 8.290 nan 0.000 0.675 291 L N 1.061 122.230 121.223 -0.091 0.000 2.021 291 L HA -0.158 4.180 4.340 -0.004 0.000 0.215 291 L C 3.230 180.059 176.870 -0.068 0.000 1.074 291 L CA 2.173 56.936 54.840 -0.128 0.000 0.760 291 L CB -0.355 41.576 42.059 -0.213 0.000 0.889 291 L HN 0.331 nan 8.230 nan 0.000 0.433 292 A N -0.635 122.159 122.820 -0.043 0.000 1.884 292 A HA -0.247 4.071 4.320 -0.004 0.000 0.219 292 A C 2.173 179.737 177.584 -0.033 0.000 1.197 292 A CA 2.432 54.454 52.037 -0.024 0.000 0.637 292 A CB -1.142 17.819 19.000 -0.066 0.000 0.827 292 A HN 0.352 nan 8.150 nan 0.000 0.450 293 V N -0.165 119.702 119.914 -0.078 0.000 2.343 293 V HA -0.342 3.776 4.120 -0.004 0.000 0.247 293 V C 2.676 178.722 176.094 -0.079 0.000 1.051 293 V CA 2.365 64.590 62.300 -0.126 0.000 1.036 293 V CB -1.004 30.525 31.823 -0.490 0.000 0.654 293 V HN 0.658 nan 8.190 nan 0.000 0.451 294 Q N -0.302 119.470 119.800 -0.047 0.000 2.050 294 Q HA -0.192 4.146 4.340 -0.004 0.000 0.202 294 Q C 2.494 178.536 176.000 0.070 0.000 0.980 294 Q CA 1.630 57.450 55.803 0.028 0.000 0.840 294 Q CB -0.248 28.512 28.738 0.037 0.000 0.898 294 Q HN 0.587 nan 8.270 nan 0.000 0.424 295 R N 0.228 120.773 120.500 0.074 0.000 2.148 295 R HA -0.065 4.273 4.340 -0.004 0.000 0.227 295 R C 2.239 178.632 176.300 0.156 0.000 1.103 295 R CA 0.794 56.970 56.100 0.128 0.000 0.983 295 R CB -0.206 30.193 30.300 0.166 0.000 0.874 295 R HN 0.252 nan 8.270 nan 0.000 0.451 296 L N 0.092 121.407 121.223 0.154 0.000 2.072 296 L HA -0.092 4.246 4.340 -0.004 0.000 0.205 296 L C 2.567 179.658 176.870 0.367 0.000 1.079 296 L CA 1.045 56.036 54.840 0.252 0.000 0.752 296 L CB -0.287 41.847 42.059 0.125 0.000 0.906 296 L HN 0.180 nan 8.230 nan 0.000 0.436 297 M N -0.574 119.175 119.600 0.249 0.000 2.106 297 M HA -0.322 4.156 4.480 -0.004 0.000 0.259 297 M C 2.374 178.783 176.300 0.182 0.000 1.068 297 M CA 1.947 57.376 55.300 0.214 0.000 1.100 297 M CB -0.453 32.241 32.600 0.158 0.000 1.351 297 M HN 0.325 nan 8.290 nan 0.000 0.404 298 Q N 0.243 120.135 119.800 0.153 0.000 2.291 298 Q HA -0.192 4.146 4.340 -0.004 0.000 0.205 298 Q C 1.569 177.639 176.000 0.118 0.000 0.970 298 Q CA 1.264 57.137 55.803 0.115 0.000 0.876 298 Q CB 0.120 28.913 28.738 0.091 0.000 0.935 298 Q HN 0.573 nan 8.270 nan 0.000 0.455 299 Q N -1.699 118.200 119.800 0.165 0.000 2.425 299 Q HA 0.132 4.470 4.340 -0.004 0.000 0.204 299 Q C 0.753 176.800 176.000 0.079 0.000 0.933 299 Q CA 0.549 56.439 55.803 0.145 0.000 0.939 299 Q CB 0.911 29.781 28.738 0.219 0.000 1.044 299 Q HN 0.574 nan 8.270 nan 0.000 0.513 300 G N -0.743 108.112 108.800 0.092 0.000 2.367 300 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.181 300 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.181 300 G C -0.470 174.427 174.900 -0.005 0.000 1.000 300 G CA -0.770 44.328 45.100 -0.003 0.000 0.693 300 G HN 0.219 nan 8.290 nan 0.000 0.480 301 Y N 2.050 122.442 120.300 0.153 0.000 2.465 301 Y HA 0.438 4.986 4.550 -0.003 0.000 0.331 301 Y C 1.543 177.526 175.900 0.139 0.000 1.102 301 Y CA 0.567 58.789 58.100 0.204 0.000 1.358 301 Y CB 0.945 39.611 38.460 0.343 0.000 1.213 301 Y HN 0.266 nan 8.280 nan 0.000 0.525 302 G N 3.421 112.355 108.800 0.224 0.000 2.491 302 G HA2 0.314 4.272 3.960 -0.004 0.000 0.242 302 G HA3 0.314 4.272 3.960 -0.004 0.000 0.242 302 G C -1.421 173.471 174.900 -0.013 0.000 1.266 302 G CA -0.084 45.062 45.100 0.076 0.000 0.844 302 G HN 0.601 nan 8.290 nan 0.000 0.571 303 F N 0.942 120.676 119.950 -0.360 0.000 2.703 303 F HA 0.656 5.180 4.527 -0.004 0.000 0.308 303 F C -0.813 174.524 175.800 -0.772 0.000 1.126 303 F CA -0.572 57.014 58.000 -0.691 0.000 0.959 303 F CB 1.262 39.664 39.000 -0.995 0.000 1.297 303 F HN 0.905 nan 8.300 nan 0.000 0.441 304 A N 2.443 123.988 122.820 -2.126 0.000 2.594 304 A HA 0.757 5.074 4.320 -0.004 0.000 0.295 304 A C -0.654 175.580 177.584 -2.249 0.000 1.071 304 A CA -0.404 50.101 52.037 -2.552 0.000 0.685 304 A CB 1.102 19.306 19.000 -1.326 0.000 1.285 304 A HN 1.562 nan 8.150 nan 0.000 0.405 305 G N 0.716 108.447 108.800 -1.782 0.000 2.606 305 G HA2 0.486 4.444 3.960 -0.004 0.000 0.252 305 G HA3 0.486 4.444 3.960 -0.004 0.000 0.252 305 G C 0.219 175.088 174.900 -0.052 0.000 1.206 305 G CA 0.367 45.167 45.100 -0.499 0.000 0.861 305 G HN 1.601 nan 8.290 nan 0.000 0.561 306 E N -0.438 119.856 120.200 0.156 0.000 2.202 306 E HA -0.282 4.066 4.350 -0.004 0.000 0.169 306 E C 1.061 177.694 176.600 0.054 0.000 1.536 306 E CA 1.022 57.486 56.400 0.106 0.000 0.664 306 E CB -2.042 27.753 29.700 0.157 0.000 1.064 306 E HN 2.243 nan 8.360 nan 0.000 0.327 307 G N 1.314 110.125 108.800 0.019 0.000 2.168 307 G HA2 -0.372 3.586 3.960 -0.004 0.000 0.263 307 G HA3 -0.372 3.586 3.960 -0.004 0.000 0.263 307 G C 0.030 174.964 174.900 0.057 0.000 0.977 307 G CA 0.384 45.519 45.100 0.058 0.000 0.659 307 G HN 0.674 nan 8.290 nan 0.000 0.533 308 D N 1.189 121.550 120.400 -0.064 0.000 2.551 308 D HA 0.180 4.818 4.640 -0.004 0.000 0.223 308 D C 1.867 178.043 176.300 -0.206 0.000 1.144 308 D CA -0.410 53.504 54.000 -0.143 0.000 1.025 308 D CB -0.760 40.024 40.800 -0.027 0.000 1.085 308 D HN 0.542 nan 8.370 nan 0.000 0.506 309 W N 3.002 124.255 121.300 -0.080 0.000 2.342 309 W HA -0.152 4.506 4.660 -0.004 0.000 0.297 309 W C 1.133 177.593 176.519 -0.097 0.000 1.213 309 W CA 0.190 57.492 57.345 -0.071 0.000 1.251 309 W CB -0.616 28.866 29.460 0.037 0.000 1.136 309 W HN 0.197 nan 8.180 nan 0.000 0.526 310 K N 0.679 120.763 120.400 -0.527 0.000 1.991 310 K HA -0.136 4.182 4.320 -0.004 0.000 0.212 310 K C 2.264 178.674 176.600 -0.317 0.000 1.049 310 K CA 2.875 58.890 56.287 -0.453 0.000 0.932 310 K CB -0.628 31.476 32.500 -0.660 0.000 0.717 310 K HN -0.000 nan 8.250 nan 0.000 0.441 311 T N 1.091 115.475 114.554 -0.283 0.000 2.746 311 T HA -0.158 4.190 4.350 -0.004 0.000 0.267 311 T C 1.944 176.490 174.700 -0.257 0.000 1.039 311 T CA 1.328 63.307 62.100 -0.203 0.000 1.142 311 T CB -0.317 68.499 68.868 -0.087 0.000 0.866 311 T HN 0.344 nan 8.240 nan 0.000 0.444 312 A N 1.694 124.312 122.820 -0.336 0.000 1.892 312 A HA 0.019 4.337 4.320 -0.004 0.000 0.218 312 A C 2.676 180.106 177.584 -0.257 0.000 1.188 312 A CA 2.123 53.950 52.037 -0.349 0.000 0.631 312 A CB -1.259 17.534 19.000 -0.346 0.000 0.822 312 A HN 0.530 nan 8.150 nan 0.000 0.447 313 A N -0.824 121.808 122.820 -0.314 0.000 1.877 313 A HA -0.041 4.277 4.320 -0.004 0.000 0.216 313 A C 2.141 179.452 177.584 -0.456 0.000 1.186 313 A CA 1.747 53.480 52.037 -0.505 0.000 0.620 313 A CB -0.676 17.620 19.000 -1.173 0.000 0.822 313 A HN 0.670 nan 8.150 nan 0.000 0.443 314 L N -0.828 120.145 121.223 -0.417 0.000 2.079 314 L HA -0.139 4.199 4.340 -0.004 0.000 0.210 314 L C 2.244 178.971 176.870 -0.239 0.000 1.081 314 L CA 1.802 56.440 54.840 -0.336 0.000 0.752 314 L CB -0.541 41.348 42.059 -0.284 0.000 0.896 314 L HN 0.397 nan 8.230 nan 0.000 0.433 315 L N -0.429 120.689 121.223 -0.175 0.000 1.994 315 L HA -0.198 4.140 4.340 -0.004 0.000 0.208 315 L C 2.732 179.551 176.870 -0.084 0.000 1.071 315 L CA 1.957 56.742 54.840 -0.091 0.000 0.745 315 L CB -0.809 41.229 42.059 -0.034 0.000 0.892 315 L HN 0.296 nan 8.230 nan 0.000 0.431 316 R N 0.091 120.536 120.500 -0.091 0.000 2.096 316 R HA -0.180 4.158 4.340 -0.004 0.000 0.240 316 R C 2.144 178.388 176.300 -0.093 0.000 1.139 316 R CA 2.242 58.309 56.100 -0.056 0.000 0.952 316 R CB -0.992 29.290 30.300 -0.031 0.000 0.854 316 R HN 0.541 nan 8.270 nan 0.000 0.436 317 I N -0.101 120.377 120.570 -0.154 0.000 2.099 317 I HA -0.346 3.821 4.170 -0.004 0.000 0.239 317 I C 2.418 178.444 176.117 -0.153 0.000 1.066 317 I CA 2.039 63.245 61.300 -0.156 0.000 1.324 317 I CB -0.211 37.659 38.000 -0.216 0.000 1.037 317 I HN 0.235 nan 8.210 nan 0.000 0.401 318 M N -0.272 119.216 119.600 -0.187 0.000 2.229 318 M HA -0.194 4.284 4.480 -0.004 0.000 0.264 318 M C 2.221 178.473 176.300 -0.080 0.000 1.063 318 M CA 1.574 56.774 55.300 -0.166 0.000 1.114 318 M CB -0.279 32.208 32.600 -0.187 0.000 1.387 318 M HN 0.087 nan 8.290 nan 0.000 0.420 319 K N -0.138 120.230 120.400 -0.053 0.000 2.026 319 K HA -0.118 4.200 4.320 -0.004 0.000 0.208 319 K C 1.886 178.481 176.600 -0.008 0.000 1.048 319 K CA 1.327 57.608 56.287 -0.011 0.000 0.929 319 K CB -0.251 32.254 32.500 0.007 0.000 0.713 319 K HN 0.190 nan 8.250 nan 0.000 0.439 320 V N 1.704 121.595 119.914 -0.037 0.000 2.427 320 V HA -0.238 3.880 4.120 -0.004 0.000 0.248 320 V C 2.343 178.420 176.094 -0.028 0.000 1.051 320 V CA 1.388 63.654 62.300 -0.056 0.000 1.048 320 V CB -0.344 31.415 31.823 -0.107 0.000 0.666 320 V HN 0.382 nan 8.190 nan 0.000 0.456 321 M N 1.077 120.662 119.600 -0.026 0.000 2.082 321 M HA -0.211 4.267 4.480 -0.004 0.000 0.258 321 M C 2.276 178.635 176.300 0.099 0.000 1.069 321 M CA 2.562 57.878 55.300 0.028 0.000 1.102 321 M CB -0.256 32.321 32.600 -0.039 0.000 1.336 321 M HN 0.558 nan 8.290 nan 0.000 0.404 322 S N -0.437 115.295 115.700 0.053 0.000 2.603 322 S HA -0.014 4.454 4.470 -0.004 0.000 0.229 322 S C 0.653 175.317 174.600 0.106 0.000 0.972 322 S CA 0.367 58.605 58.200 0.063 0.000 0.935 322 S CB -1.532 61.686 63.200 0.031 0.000 0.769 322 S HN 0.600 nan 8.310 nan 0.000 0.536 323 T N 0.593 115.253 114.554 0.175 0.000 2.933 323 T HA 0.423 4.771 4.350 -0.004 0.000 0.306 323 T C 1.382 176.189 174.700 0.178 0.000 1.045 323 T CA 0.146 62.373 62.100 0.212 0.000 1.143 323 T CB 0.140 69.191 68.868 0.306 0.000 1.003 323 T HN 1.200 nan 8.240 nan 0.000 0.540 324 G N 2.042 110.904 108.800 0.103 0.000 2.143 324 G HA2 -0.200 3.757 3.960 -0.004 0.000 0.248 324 G HA3 -0.200 3.757 3.960 -0.004 0.000 0.248 324 G C -0.113 174.794 174.900 0.012 0.000 0.991 324 G CA 0.108 45.230 45.100 0.038 0.000 0.689 324 G HN 0.823 nan 8.290 nan 0.000 0.522 325 L N -0.630 120.610 121.223 0.029 0.000 2.354 325 L HA 0.824 5.162 4.340 -0.004 0.000 0.269 325 L C 0.799 177.683 176.870 0.023 0.000 1.005 325 L CA -0.724 54.127 54.840 0.018 0.000 0.819 325 L CB 1.637 43.708 42.059 0.020 0.000 1.311 325 L HN 0.314 nan 8.230 nan 0.000 0.423 326 Q N 1.449 121.259 119.800 0.015 0.000 2.313 326 Q HA 0.579 4.917 4.340 -0.004 0.000 0.266 326 Q C 0.327 176.343 176.000 0.027 0.000 0.989 326 Q CA 0.230 56.042 55.803 0.015 0.000 0.890 326 Q CB 0.963 29.702 28.738 0.003 0.000 1.200 326 Q HN 1.030 nan 8.270 nan 0.000 0.396 327 G N -0.244 108.579 108.800 0.039 0.000 2.362 327 G HA2 0.461 4.419 3.960 -0.004 0.000 0.656 327 G HA3 0.461 4.419 3.960 -0.004 0.000 0.656 327 G C 0.622 175.592 174.900 0.116 0.000 1.376 327 G CA 0.117 45.267 45.100 0.083 0.000 0.971 327 G HN 1.344 nan 8.290 nan 0.000 0.636 328 G N -1.297 107.625 108.800 0.204 0.000 2.670 328 G HA2 0.579 4.537 3.960 -0.004 0.000 0.219 328 G HA3 0.579 4.537 3.960 -0.004 0.000 0.219 328 G C 0.607 175.609 174.900 0.171 0.000 1.342 328 G CA 1.526 46.750 45.100 0.207 0.000 0.902 328 G HN 2.243 nan 8.290 nan 0.000 0.553 329 T N -0.823 113.859 114.554 0.213 0.000 1.183 329 T HA 0.084 4.432 4.350 -0.004 0.000 0.708 329 T C -0.550 174.268 174.700 0.196 0.000 0.972 329 T CA 0.338 62.526 62.100 0.148 0.000 3.745 329 T CB -1.569 67.335 68.868 0.059 0.000 2.139 329 T HN 0.861 nan 8.240 nan 0.000 0.410 330 S N 1.431 117.284 115.700 0.256 0.000 2.588 330 S HA 0.813 5.280 4.470 -0.004 0.000 0.275 330 S C -0.659 174.075 174.600 0.223 0.000 1.130 330 S CA -0.982 57.358 58.200 0.233 0.000 0.855 330 S CB 1.159 64.490 63.200 0.219 0.000 1.116 330 S HN 0.728 nan 8.310 nan 0.000 0.472 331 F N 3.235 123.225 119.950 0.066 0.000 2.553 331 F HA 0.620 5.145 4.527 -0.004 0.000 0.356 331 F C -0.163 175.648 175.800 0.018 0.000 1.142 331 F CA 0.285 58.282 58.000 -0.006 0.000 1.322 331 F CB 0.685 39.671 39.000 -0.023 0.000 1.126 331 F HN 0.628 nan 8.300 nan 0.000 0.599 332 M N 4.859 123.960 119.600 -0.833 0.000 2.490 332 M HA 0.293 4.771 4.480 -0.004 0.000 0.286 332 M C -2.014 173.969 176.300 -0.529 0.000 1.185 332 M CA -0.381 54.614 55.300 -0.508 0.000 0.912 332 M CB 1.905 34.437 32.600 -0.113 0.000 1.744 332 M HN 0.660 nan 8.290 nan 0.000 0.494 333 E N 2.150 122.229 120.200 -0.201 0.000 2.302 333 E HA 0.352 4.700 4.350 -0.004 0.000 0.263 333 E C -1.429 175.222 176.600 0.085 0.000 0.897 333 E CA -0.543 55.866 56.400 0.015 0.000 0.809 333 E CB 1.010 30.828 29.700 0.197 0.000 1.270 333 E HN 0.825 nan 8.360 nan 0.000 0.410 334 D N 3.565 124.006 120.400 0.068 0.000 2.662 334 D HA -0.101 4.537 4.640 -0.004 0.000 0.237 334 D C -0.071 176.122 176.300 -0.178 0.000 1.154 334 D CA 0.976 54.955 54.000 -0.035 0.000 0.861 334 D CB 0.382 41.141 40.800 -0.067 0.000 1.146 334 D HN 0.457 nan 8.370 nan 0.000 0.518 335 Y N 1.120 121.283 120.300 -0.229 0.000 2.539 335 Y HA 0.131 4.678 4.550 -0.004 0.000 0.284 335 Y C 1.162 176.873 175.900 -0.315 0.000 1.134 335 Y CA 0.435 58.405 58.100 -0.216 0.000 1.251 335 Y CB 1.243 39.605 38.460 -0.164 0.000 1.260 335 Y HN 0.436 nan 8.280 nan 0.000 0.528 336 T N -1.830 112.578 114.554 -0.244 0.000 2.661 336 T HA 0.382 4.730 4.350 -0.004 0.000 0.305 336 T C -2.438 172.011 174.700 -0.418 0.000 1.441 336 T CA -0.449 61.430 62.100 -0.369 0.000 0.999 336 T CB 0.532 69.325 68.868 -0.126 0.000 1.650 336 T HN -0.184 nan 8.240 nan 0.000 0.489 337 Y N 0.573 120.784 120.300 -0.148 0.000 2.576 337 Y HA 0.614 5.162 4.550 -0.004 0.000 0.346 337 Y C -0.381 175.399 175.900 -0.199 0.000 1.018 337 Y CA -1.079 56.850 58.100 -0.285 0.000 1.050 337 Y CB 1.633 39.801 38.460 -0.487 0.000 1.280 337 Y HN 0.739 nan 8.280 nan 0.000 0.474 338 H N 1.571 120.526 119.070 -0.192 0.000 2.762 338 H HA 0.512 5.066 4.556 -0.004 0.000 0.310 338 H C -1.902 173.264 175.328 -0.270 0.000 1.004 338 H CA -0.778 55.182 56.048 -0.147 0.000 1.267 338 H CB 0.244 29.937 29.762 -0.115 0.000 1.437 338 H HN 0.427 nan 8.280 nan 0.000 0.498 339 F N 3.771 123.542 119.950 -0.298 0.000 2.390 339 F HA 0.273 4.797 4.527 -0.004 0.000 0.361 339 F C 0.354 175.945 175.800 -0.348 0.000 1.124 339 F CA -0.151 57.696 58.000 -0.254 0.000 1.149 339 F CB 0.921 39.816 39.000 -0.175 0.000 1.160 339 F HN 0.554 nan 8.300 nan 0.000 0.501 340 E N 3.817 123.977 120.200 -0.066 0.000 2.311 340 E HA 0.208 4.556 4.350 -0.004 0.000 0.281 340 E C -1.224 175.392 176.600 0.026 0.000 0.905 340 E CA -0.949 55.424 56.400 -0.044 0.000 0.778 340 E CB 1.144 30.839 29.700 -0.008 0.000 1.240 340 E HN 0.459 nan 8.360 nan 0.000 0.410 341 K N 1.884 122.298 120.400 0.023 0.000 2.473 341 K HA 0.071 4.389 4.320 -0.004 0.000 0.277 341 K C 0.933 177.551 176.600 0.030 0.000 1.052 341 K CA 1.535 57.837 56.287 0.024 0.000 1.114 341 K CB 0.170 32.679 32.500 0.015 0.000 0.869 341 K HN 0.858 nan 8.250 nan 0.000 0.481 342 G N 2.888 111.705 108.800 0.027 0.000 2.234 342 G HA2 -0.360 3.598 3.960 -0.004 0.000 0.260 342 G HA3 -0.360 3.598 3.960 -0.004 0.000 0.260 342 G C 0.266 175.186 174.900 0.034 0.000 0.987 342 G CA 0.423 45.540 45.100 0.028 0.000 0.625 342 G HN 0.774 nan 8.290 nan 0.000 0.532 343 N N 0.513 119.240 118.700 0.045 0.000 2.636 343 N HA 0.195 4.933 4.740 -0.004 0.000 0.287 343 N C -1.324 174.232 175.510 0.077 0.000 1.817 343 N CA -0.408 52.680 53.050 0.062 0.000 0.842 343 N CB 0.414 38.955 38.487 0.089 0.000 1.353 343 N HN 0.103 nan 8.380 nan 0.000 0.500 344 D N 1.677 122.078 120.400 0.001 0.000 2.348 344 D HA 0.288 4.926 4.640 -0.004 0.000 0.253 344 D C -0.096 176.134 176.300 -0.115 0.000 1.161 344 D CA 0.505 54.444 54.000 -0.101 0.000 0.876 344 D CB 1.567 42.265 40.800 -0.170 0.000 1.160 344 D HN 0.348 nan 8.370 nan 0.000 0.459 345 L N 1.097 122.231 121.223 -0.148 0.000 2.371 345 L HA 0.548 4.886 4.340 -0.004 0.000 0.262 345 L C -0.590 176.130 176.870 -0.250 0.000 1.006 345 L CA -1.192 53.541 54.840 -0.178 0.000 0.818 345 L CB 2.195 44.175 42.059 -0.131 0.000 1.354 345 L HN -0.030 nan 8.230 nan 0.000 0.415 346 V N 2.385 122.009 119.914 -0.484 0.000 2.417 346 V HA 0.371 4.489 4.120 -0.004 0.000 0.291 346 V C -0.381 175.213 176.094 -0.833 0.000 1.024 346 V CA -0.497 61.437 62.300 -0.609 0.000 0.861 346 V CB 1.874 33.142 31.823 -0.925 0.000 0.985 346 V HN 0.478 nan 8.190 nan 0.000 0.436 347 L N 5.014 125.926 121.223 -0.518 0.000 2.261 347 L HA 0.729 5.067 4.340 -0.004 0.000 0.289 347 L C 0.784 177.418 176.870 -0.394 0.000 1.059 347 L CA 0.537 55.122 54.840 -0.425 0.000 0.816 347 L CB 0.479 42.392 42.059 -0.244 0.000 1.191 347 L HN 0.774 nan 8.230 nan 0.000 0.431 348 G N 2.689 111.241 108.800 -0.413 0.000 2.476 348 G HA2 0.561 4.519 3.960 -0.004 0.000 0.286 348 G HA3 0.561 4.519 3.960 -0.004 0.000 0.286 348 G C -0.731 174.156 174.900 -0.022 0.000 1.177 348 G CA 0.242 45.303 45.100 -0.065 0.000 0.870 348 G HN 0.754 nan 8.290 nan 0.000 0.528 349 S N -0.616 115.132 115.700 0.080 0.000 2.655 349 S HA 0.399 4.867 4.470 -0.004 0.000 0.263 349 S C -1.725 173.014 174.600 0.232 0.000 1.091 349 S CA -0.714 57.500 58.200 0.024 0.000 0.865 349 S CB 0.565 63.667 63.200 -0.163 0.000 1.146 349 S HN 0.949 nan 8.310 nan 0.000 0.482 350 H N 0.363 119.452 119.070 0.032 0.000 2.985 350 H HA 0.390 4.944 4.556 -0.003 0.000 0.360 350 H C 1.218 176.592 175.328 0.076 0.000 1.221 350 H CA -0.023 56.141 56.048 0.194 0.000 1.121 350 H CB 1.776 31.683 29.762 0.242 0.000 1.854 350 H HN 0.763 nan 8.280 nan 0.000 0.551 351 M N 1.454 120.925 119.600 -0.215 0.000 2.345 351 M HA -0.308 4.169 4.480 -0.004 0.000 0.253 351 M C 0.308 176.561 176.300 -0.078 0.000 1.068 351 M CA 2.631 57.822 55.300 -0.181 0.000 1.069 351 M CB -0.047 32.431 32.600 -0.203 0.000 1.292 351 M HN 0.649 nan 8.290 nan 0.000 0.430 352 L N -3.696 117.560 121.223 0.055 0.000 3.337 352 L HA 0.193 4.531 4.340 -0.004 0.000 0.313 352 L C -0.311 176.630 176.870 0.119 0.000 1.071 352 L CA -0.404 54.461 54.840 0.042 0.000 1.192 352 L CB 0.437 42.511 42.059 0.025 0.000 1.895 352 L HN -0.024 nan 8.230 nan 0.000 0.596 353 E N 1.922 122.300 120.200 0.296 0.000 1.936 353 E HA 0.400 4.748 4.350 -0.004 0.000 0.267 353 E C -0.904 175.914 176.600 0.363 0.000 1.076 353 E CA 0.084 56.663 56.400 0.299 0.000 0.870 353 E CB 1.226 31.174 29.700 0.414 0.000 1.093 353 E HN -0.095 nan 8.360 nan 0.000 0.411 354 V N 1.845 121.901 119.914 0.236 0.000 2.709 354 V HA 0.217 4.335 4.120 -0.004 0.000 0.308 354 V C -0.254 176.049 176.094 0.349 0.000 1.062 354 V CA -1.248 61.199 62.300 0.245 0.000 0.901 354 V CB 2.019 33.889 31.823 0.079 0.000 1.003 354 V HN 0.702 nan 8.190 nan 0.000 0.425 355 C N 7.603 127.093 119.300 0.316 0.000 2.566 355 C HA 0.345 4.803 4.460 -0.004 0.000 0.393 355 C C -0.709 174.398 174.990 0.195 0.000 1.309 355 C CA -1.204 57.958 59.018 0.239 0.000 1.801 355 C CB 0.419 28.275 27.740 0.193 0.000 2.493 355 C HN 0.815 nan 8.230 nan 0.000 0.575 356 P HA -0.064 nan 4.420 nan 0.000 0.242 356 P C 1.354 178.494 177.300 -0.266 0.000 1.198 356 P CA 0.886 63.609 63.100 -0.628 0.000 0.756 356 P CB -0.063 31.330 31.700 -0.512 0.000 0.911 357 S N 0.598 116.272 115.700 -0.043 0.000 2.400 357 S HA -0.125 4.343 4.470 -0.004 0.000 0.232 357 S C 1.520 176.163 174.600 0.071 0.000 1.025 357 S CA 0.960 59.181 58.200 0.035 0.000 0.993 357 S CB -0.845 62.415 63.200 0.099 0.000 0.808 357 S HN 0.317 nan 8.310 nan 0.000 0.478 358 I N -0.880 119.760 120.570 0.117 0.000 3.904 358 I HA 0.527 4.695 4.170 -0.004 0.000 0.333 358 I C 0.433 176.657 176.117 0.179 0.000 1.361 358 I CA -0.651 60.792 61.300 0.239 0.000 1.116 358 I CB -0.139 38.048 38.000 0.311 0.000 1.028 358 I HN 0.177 nan 8.210 nan 0.000 0.398 359 A N 0.942 123.770 122.820 0.014 0.000 2.304 359 A HA 0.696 5.014 4.320 -0.004 0.000 0.271 359 A C 1.132 178.736 177.584 0.034 0.000 1.091 359 A CA 0.254 52.296 52.037 0.008 0.000 0.812 359 A CB 0.972 19.759 19.000 -0.354 0.000 1.056 359 A HN 0.298 nan 8.150 nan 0.000 0.489 360 V N 0.241 120.200 119.914 0.074 0.000 2.992 360 V HA 0.170 4.288 4.120 -0.004 0.000 0.250 360 V C 0.993 177.103 176.094 0.028 0.000 1.090 360 V CA 1.800 64.127 62.300 0.046 0.000 1.101 360 V CB -0.613 31.245 31.823 0.059 0.000 0.743 360 V HN 0.899 nan 8.190 nan 0.000 0.468 361 E N 0.587 120.808 120.200 0.034 0.000 2.447 361 E HA 0.400 4.747 4.350 -0.004 0.000 0.251 361 E C -0.750 175.862 176.600 0.020 0.000 0.910 361 E CA -0.669 55.749 56.400 0.031 0.000 0.841 361 E CB 0.950 30.681 29.700 0.052 0.000 1.403 361 E HN 0.432 nan 8.360 nan 0.000 0.400 362 E N 1.060 121.279 120.200 0.032 0.000 2.259 362 E HA 0.158 4.506 4.350 -0.004 0.000 0.281 362 E C -1.007 175.654 176.600 0.102 0.000 1.037 362 E CA -0.611 55.819 56.400 0.050 0.000 0.854 362 E CB 0.611 30.332 29.700 0.036 0.000 1.051 362 E HN 0.109 nan 8.360 nan 0.000 0.409 363 K N 5.461 125.965 120.400 0.173 0.000 2.249 363 K HA 0.281 4.599 4.320 -0.004 0.000 0.280 363 K C -2.432 174.268 176.600 0.165 0.000 1.033 363 K CA -2.091 54.293 56.287 0.162 0.000 0.946 363 K CB 0.896 33.444 32.500 0.080 0.000 1.005 363 K HN 0.409 nan 8.250 nan 0.000 0.469 364 P HA 0.182 nan 4.420 nan 0.000 0.281 364 P C -0.652 176.615 177.300 -0.055 0.000 1.252 364 P CA -0.403 62.722 63.100 0.043 0.000 0.778 364 P CB 0.566 32.287 31.700 0.034 0.000 0.895 365 I N 4.064 124.578 120.570 -0.093 0.000 2.377 365 I HA 0.605 4.773 4.170 -0.004 0.000 0.293 365 I C -1.385 174.673 176.117 -0.098 0.000 0.987 365 I CA -0.913 60.273 61.300 -0.190 0.000 1.185 365 I CB 1.045 38.863 38.000 -0.304 0.000 1.341 365 I HN 0.151 nan 8.210 nan 0.000 0.455 366 L N 6.074 127.235 121.223 -0.104 0.000 2.341 366 L HA 0.548 4.886 4.340 -0.004 0.000 0.254 366 L C -0.648 176.180 176.870 -0.069 0.000 1.040 366 L CA 0.076 54.876 54.840 -0.066 0.000 0.837 366 L CB 2.108 44.133 42.059 -0.056 0.000 1.425 366 L HN 0.748 nan 8.230 nan 0.000 0.414 367 D N -0.468 119.905 120.400 -0.045 0.000 2.725 367 D HA 0.119 4.756 4.640 -0.004 0.000 0.269 367 D C 0.157 176.436 176.300 -0.035 0.000 1.018 367 D CA 0.689 54.666 54.000 -0.039 0.000 0.956 367 D CB 0.510 41.297 40.800 -0.021 0.000 1.141 367 D HN 0.236 nan 8.370 nan 0.000 0.478 368 V N 1.602 121.501 119.914 -0.026 0.000 5.364 368 V HA -0.226 3.892 4.120 -0.004 0.000 0.156 368 V C 1.276 177.356 176.094 -0.023 0.000 0.781 368 V CA 1.632 63.920 62.300 -0.020 0.000 0.612 368 V CB -1.724 30.083 31.823 -0.027 0.000 0.269 368 V HN 0.440 nan 8.190 nan 0.000 0.320 369 Q N 2.042 121.837 119.800 -0.008 0.000 2.462 369 Q HA 0.073 4.411 4.340 -0.004 0.000 0.224 369 Q C 1.204 177.195 176.000 -0.016 0.000 0.911 369 Q CA 0.578 56.364 55.803 -0.028 0.000 0.925 369 Q CB -0.228 28.488 28.738 -0.036 0.000 1.063 369 Q HN 1.007 nan 8.270 nan 0.000 0.572 370 H N 1.020 120.060 119.070 -0.050 0.000 2.671 370 H HA -0.071 4.483 4.556 -0.003 0.000 0.236 370 H C -0.311 174.980 175.328 -0.062 0.000 0.624 370 H CA 0.205 56.223 56.048 -0.049 0.000 1.349 370 H CB -1.314 28.421 29.762 -0.044 0.000 1.417 370 H HN 0.442 nan 8.280 nan 0.000 0.445 371 L N 5.225 126.197 121.223 -0.418 0.000 2.363 371 L HA 0.099 4.436 4.340 -0.004 0.000 0.286 371 L C 1.677 178.194 176.870 -0.587 0.000 1.106 371 L CA 0.316 54.917 54.840 -0.399 0.000 0.859 371 L CB 0.442 42.360 42.059 -0.235 0.000 1.223 371 L HN 0.934 nan 8.230 nan 0.000 0.446 372 G N 5.416 113.867 108.800 -0.583 0.000 2.442 372 G HA2 -0.165 3.793 3.960 -0.004 0.000 0.219 372 G HA3 -0.165 3.793 3.960 -0.004 0.000 0.219 372 G C 0.838 175.589 174.900 -0.247 0.000 1.141 372 G CA 0.042 44.929 45.100 -0.355 0.000 0.763 372 G HN 0.536 nan 8.290 nan 0.000 0.554 373 I N 1.094 121.493 120.570 -0.284 0.000 2.598 373 I HA 0.331 4.499 4.170 -0.004 0.000 0.284 373 I C 1.590 177.535 176.117 -0.287 0.000 1.140 373 I CA 1.041 62.118 61.300 -0.372 0.000 1.420 373 I CB 0.824 38.494 38.000 -0.550 0.000 1.387 373 I HN 0.370 nan 8.210 nan 0.000 0.553 374 G N 4.519 113.212 108.800 -0.178 0.000 4.365 374 G HA2 -0.187 3.770 3.960 -0.004 0.000 0.214 374 G HA3 -0.187 3.770 3.960 -0.004 0.000 0.214 374 G C 0.900 175.790 174.900 -0.017 0.000 1.450 374 G CA -0.047 45.063 45.100 0.017 0.000 0.937 374 G HN 1.719 nan 8.290 nan 0.000 0.625 375 G N -0.455 108.303 108.800 -0.070 0.000 2.181 375 G HA2 0.077 4.035 3.960 -0.004 0.000 0.152 375 G HA3 0.077 4.035 3.960 -0.004 0.000 0.152 375 G C 0.142 175.015 174.900 -0.045 0.000 1.026 375 G CA 1.240 46.308 45.100 -0.054 0.000 0.699 375 G HN 0.869 nan 8.290 nan 0.000 0.497 376 K N -0.067 120.298 120.400 -0.059 0.000 2.502 376 K HA 0.525 4.843 4.320 -0.004 0.000 0.256 376 K C 0.054 176.631 176.600 -0.038 0.000 1.053 376 K CA -0.814 55.448 56.287 -0.042 0.000 1.002 376 K CB 0.261 32.738 32.500 -0.038 0.000 1.384 376 K HN 0.099 nan 8.250 nan 0.000 0.537 377 D N 1.683 122.068 120.400 -0.024 0.000 2.423 377 D HA 0.015 4.652 4.640 -0.004 0.000 0.238 377 D C -0.679 175.605 176.300 -0.026 0.000 1.142 377 D CA 0.257 54.249 54.000 -0.012 0.000 0.884 377 D CB 0.212 41.008 40.800 -0.007 0.000 1.199 377 D HN 0.150 nan 8.370 nan 0.000 0.438 378 D N 2.940 123.335 120.400 -0.008 0.000 2.659 378 D HA 0.011 4.649 4.640 -0.004 0.000 0.264 378 D C -2.039 174.245 176.300 -0.027 0.000 1.329 378 D CA -0.320 53.672 54.000 -0.014 0.000 0.963 378 D CB -0.146 40.664 40.800 0.017 0.000 1.136 378 D HN 0.158 nan 8.370 nan 0.000 0.554 379 P HA 0.302 nan 4.420 nan 0.000 0.282 379 P C -0.907 176.362 177.300 -0.053 0.000 1.259 379 P CA -0.761 62.313 63.100 -0.044 0.000 0.826 379 P CB 1.155 32.827 31.700 -0.048 0.000 1.064 380 A N 2.619 125.404 122.820 -0.058 0.000 2.351 380 A HA 0.658 4.976 4.320 -0.004 0.000 0.257 380 A C 0.426 177.944 177.584 -0.110 0.000 1.087 380 A CA -0.059 51.925 52.037 -0.088 0.000 0.798 380 A CB 0.170 19.109 19.000 -0.102 0.000 1.033 380 A HN 0.756 nan 8.150 nan 0.000 0.488 381 R N 1.106 121.523 120.500 -0.138 0.000 2.692 381 R HA 0.427 4.765 4.340 -0.004 0.000 0.269 381 R C -2.394 173.802 176.300 -0.172 0.000 1.030 381 R CA -0.724 55.295 56.100 -0.135 0.000 0.882 381 R CB 0.117 30.358 30.300 -0.097 0.000 1.250 381 R HN 0.518 nan 8.270 nan 0.000 0.465 382 L N 2.778 123.923 121.223 -0.130 0.000 2.257 382 L HA 0.509 4.847 4.340 -0.004 0.000 0.290 382 L C 0.186 177.094 176.870 0.063 0.000 1.044 382 L CA -0.790 54.005 54.840 -0.074 0.000 0.810 382 L CB 1.030 43.058 42.059 -0.051 0.000 1.193 382 L HN 0.433 nan 8.230 nan 0.000 0.425 383 I N 4.501 125.075 120.570 0.006 0.000 2.396 383 I HA 0.494 4.662 4.170 -0.004 0.000 0.292 383 I C -0.341 175.835 176.117 0.098 0.000 0.999 383 I CA -0.303 60.946 61.300 -0.086 0.000 1.310 383 I CB 0.939 38.884 38.000 -0.092 0.000 1.404 383 I HN 0.475 nan 8.210 nan 0.000 0.496 384 F N 3.309 123.224 119.950 -0.058 0.000 2.842 384 F HA 0.475 5.000 4.527 -0.003 0.000 0.319 384 F C -1.566 174.215 175.800 -0.032 0.000 1.159 384 F CA -1.329 56.650 58.000 -0.035 0.000 0.902 384 F CB 0.759 39.748 39.000 -0.020 0.000 1.311 384 F HN 0.206 nan 8.300 nan 0.000 0.453 385 N N 0.342 119.165 118.700 0.206 0.000 2.456 385 N HA 0.474 5.212 4.740 -0.004 0.000 0.296 385 N C -1.003 174.642 175.510 0.226 0.000 1.102 385 N CA -0.500 52.612 53.050 0.104 0.000 0.924 385 N CB 1.982 40.508 38.487 0.064 0.000 1.186 385 N HN 0.705 nan 8.380 nan 0.000 0.492 386 T N 1.448 116.085 114.554 0.138 0.000 2.889 386 T HA 0.164 4.512 4.350 -0.004 0.000 0.291 386 T C 0.704 175.517 174.700 0.190 0.000 0.995 386 T CA -0.422 61.785 62.100 0.178 0.000 1.092 386 T CB 0.789 69.688 68.868 0.051 0.000 0.954 386 T HN 0.272 nan 8.240 nan 0.000 0.506 387 Q N 0.948 120.880 119.800 0.220 0.000 2.540 387 Q HA 0.143 4.481 4.340 -0.004 0.000 0.256 387 Q C 0.233 176.331 176.000 0.163 0.000 1.084 387 Q CA 0.237 56.107 55.803 0.112 0.000 0.956 387 Q CB 0.292 28.987 28.738 -0.072 0.000 1.303 387 Q HN 0.506 nan 8.270 nan 0.000 0.509 388 T N 0.826 115.425 114.554 0.075 0.000 2.817 388 T HA 0.585 4.932 4.350 -0.004 0.000 0.293 388 T C -0.042 174.708 174.700 0.085 0.000 0.964 388 T CA 0.304 62.468 62.100 0.108 0.000 1.085 388 T CB 0.744 69.649 68.868 0.062 0.000 0.921 388 T HN 0.755 nan 8.240 nan 0.000 0.502 389 G N 4.496 113.421 108.800 0.207 0.000 2.368 389 G HA2 0.287 4.244 3.960 -0.004 0.000 0.302 389 G HA3 0.287 4.244 3.960 -0.004 0.000 0.302 389 G C -3.441 171.617 174.900 0.263 0.000 1.329 389 G CA -1.184 44.019 45.100 0.171 0.000 0.935 389 G HN 0.457 nan 8.290 nan 0.000 0.590 390 P HA 0.499 nan 4.420 nan 0.000 0.268 390 P C 0.029 177.371 177.300 0.071 0.000 1.204 390 P CA 0.793 63.950 63.100 0.095 0.000 0.768 390 P CB 1.376 33.107 31.700 0.052 0.000 0.842 391 A N 3.091 125.830 122.820 -0.135 0.000 2.568 391 A HA 0.865 5.183 4.320 -0.004 0.000 0.291 391 A C -1.121 176.188 177.584 -0.458 0.000 1.159 391 A CA -0.672 51.092 52.037 -0.455 0.000 0.679 391 A CB 1.043 19.442 19.000 -1.000 0.000 1.285 391 A HN 0.547 nan 8.150 nan 0.000 0.428 392 I N -1.695 118.512 120.570 -0.605 0.000 2.865 392 I HA 0.852 5.020 4.170 -0.004 0.000 0.302 392 I C -0.825 174.972 176.117 -0.532 0.000 1.140 392 I CA -1.295 59.743 61.300 -0.437 0.000 1.021 392 I CB 2.160 40.009 38.000 -0.252 0.000 1.233 392 I HN 0.641 nan 8.210 nan 0.000 0.427 393 V N 1.381 121.083 119.914 -0.353 0.000 2.628 393 V HA 1.009 5.127 4.120 -0.004 0.000 0.306 393 V C -0.022 176.074 176.094 0.003 0.000 1.045 393 V CA -0.452 61.713 62.300 -0.225 0.000 0.905 393 V CB 0.962 32.613 31.823 -0.287 0.000 0.997 393 V HN 1.165 nan 8.190 nan 0.000 0.436 394 A N 2.674 125.527 122.820 0.054 0.000 2.475 394 A HA 0.939 5.256 4.320 -0.004 0.000 0.301 394 A C -0.422 177.242 177.584 0.134 0.000 1.059 394 A CA -0.214 51.886 52.037 0.105 0.000 0.710 394 A CB 2.048 21.035 19.000 -0.023 0.000 1.288 394 A HN 1.690 nan 8.150 nan 0.000 0.408 395 S N 1.024 116.776 115.700 0.088 0.000 2.571 395 S HA 0.612 5.080 4.470 -0.004 0.000 0.284 395 S C -1.611 172.949 174.600 -0.067 0.000 1.128 395 S CA -0.441 57.767 58.200 0.014 0.000 0.970 395 S CB 1.122 64.337 63.200 0.025 0.000 1.039 395 S HN 1.323 nan 8.310 nan 0.000 0.485 396 L N 6.787 127.969 121.223 -0.069 0.000 2.265 396 L HA 0.686 5.024 4.340 -0.004 0.000 0.289 396 L C -0.465 176.388 176.870 -0.029 0.000 1.033 396 L CA -0.518 54.295 54.840 -0.046 0.000 0.814 396 L CB 0.830 42.825 42.059 -0.106 0.000 1.203 396 L HN 0.744 nan 8.230 nan 0.000 0.423 397 I N 0.394 120.976 120.570 0.019 0.000 2.648 397 I HA 0.579 4.747 4.170 -0.004 0.000 0.304 397 I C -0.925 175.278 176.117 0.143 0.000 1.009 397 I CA -0.760 60.551 61.300 0.019 0.000 1.114 397 I CB 1.956 39.920 38.000 -0.060 0.000 1.293 397 I HN 0.425 nan 8.210 nan 0.000 0.449 398 D N 4.843 125.286 120.400 0.072 0.000 2.329 398 D HA 0.344 4.982 4.640 -0.004 0.000 0.232 398 D C 0.067 176.304 176.300 -0.105 0.000 1.088 398 D CA -0.317 53.647 54.000 -0.060 0.000 0.835 398 D CB 1.698 42.492 40.800 -0.010 0.000 1.078 398 D HN 0.665 nan 8.370 nan 0.000 0.495 399 L N 3.317 124.447 121.223 -0.155 0.000 2.685 399 L HA 0.264 4.602 4.340 -0.004 0.000 0.233 399 L C 1.761 178.564 176.870 -0.112 0.000 1.173 399 L CA 0.202 54.979 54.840 -0.105 0.000 0.961 399 L CB -0.108 41.900 42.059 -0.085 0.000 1.217 399 L HN 0.773 nan 8.230 nan 0.000 0.478 400 G N 1.430 110.143 108.800 -0.144 0.000 3.206 400 G HA2 -0.393 3.565 3.960 -0.004 0.000 0.217 400 G HA3 -0.393 3.565 3.960 -0.004 0.000 0.217 400 G C 0.596 175.414 174.900 -0.137 0.000 1.350 400 G CA 0.491 45.524 45.100 -0.112 0.000 0.836 400 G HN 0.533 nan 8.290 nan 0.000 0.548 401 D N 0.859 121.182 120.400 -0.128 0.000 2.389 401 D HA 0.315 4.953 4.640 -0.004 0.000 0.206 401 D C 1.129 177.346 176.300 -0.138 0.000 1.055 401 D CA 0.975 54.909 54.000 -0.111 0.000 0.856 401 D CB 0.101 40.861 40.800 -0.068 0.000 0.957 401 D HN 1.077 nan 8.370 nan 0.000 0.509 402 R N -2.150 118.224 120.500 -0.210 0.000 2.765 402 R HA 0.416 4.754 4.340 -0.004 0.000 0.277 402 R C -1.725 174.408 176.300 -0.279 0.000 1.028 402 R CA -0.964 55.018 56.100 -0.197 0.000 0.860 402 R CB 0.257 30.526 30.300 -0.053 0.000 1.270 402 R HN -0.137 nan 8.270 nan 0.000 0.484 403 Y N 0.349 120.655 120.300 0.010 0.000 2.419 403 Y HA 0.559 5.107 4.550 -0.004 0.000 0.328 403 Y C 0.327 176.209 175.900 -0.029 0.000 1.162 403 Y CA -0.673 57.451 58.100 0.040 0.000 1.174 403 Y CB 1.660 40.229 38.460 0.182 0.000 1.228 403 Y HN 0.458 nan 8.280 nan 0.000 0.473 404 R N 2.707 123.284 120.500 0.128 0.000 2.532 404 R HA 0.568 4.906 4.340 -0.004 0.000 0.297 404 R C -2.216 174.094 176.300 0.016 0.000 0.984 404 R CA -0.953 55.151 56.100 0.006 0.000 0.884 404 R CB 1.128 31.392 30.300 -0.060 0.000 1.182 404 R HN 0.727 nan 8.270 nan 0.000 0.442 405 L N 5.610 126.845 121.223 0.019 0.000 2.265 405 L HA 0.415 4.753 4.340 -0.004 0.000 0.289 405 L C -1.613 175.240 176.870 -0.028 0.000 1.033 405 L CA -0.425 54.432 54.840 0.029 0.000 0.814 405 L CB 1.181 43.322 42.059 0.137 0.000 1.203 405 L HN 0.583 nan 8.230 nan 0.000 0.423 406 L N 6.105 127.258 121.223 -0.117 0.000 2.309 406 L HA 0.723 5.061 4.340 -0.004 0.000 0.282 406 L C -0.349 176.516 176.870 -0.008 0.000 1.036 406 L CA -0.467 54.277 54.840 -0.161 0.000 0.806 406 L CB 1.705 43.415 42.059 -0.582 0.000 1.220 406 L HN 0.423 nan 8.230 nan 0.000 0.429 407 V N 3.491 123.470 119.914 0.108 0.000 2.567 407 V HA 0.459 4.577 4.120 -0.004 0.000 0.298 407 V C -1.189 175.025 176.094 0.200 0.000 1.047 407 V CA -0.424 61.973 62.300 0.162 0.000 0.880 407 V CB 1.677 33.544 31.823 0.075 0.000 1.009 407 V HN 0.906 nan 8.190 nan 0.000 0.429 408 N N 5.627 124.471 118.700 0.240 0.000 2.419 408 N HA 0.407 5.145 4.740 -0.004 0.000 0.277 408 N C -0.514 174.993 175.510 -0.004 0.000 1.006 408 N CA -0.591 52.549 53.050 0.151 0.000 0.923 408 N CB 1.173 39.751 38.487 0.153 0.000 1.140 408 N HN 0.793 nan 8.380 nan 0.000 0.488 409 C N 4.751 124.051 119.300 -0.000 0.000 2.527 409 C HA 0.520 4.978 4.460 -0.004 0.000 0.396 409 C C 0.649 175.602 174.990 -0.061 0.000 1.289 409 C CA -0.481 58.509 59.018 -0.047 0.000 2.047 409 C CB -1.423 26.312 27.740 -0.008 0.000 2.568 409 C HN 0.672 nan 8.230 nan 0.000 0.573 410 I N 0.238 120.739 120.570 -0.116 0.000 3.279 410 I HA 0.719 4.887 4.170 -0.004 0.000 0.315 410 I C -1.532 174.572 176.117 -0.022 0.000 1.187 410 I CA -0.521 60.726 61.300 -0.088 0.000 0.953 410 I CB 2.318 40.120 38.000 -0.330 0.000 1.279 410 I HN 0.328 nan 8.210 nan 0.000 0.465 411 D N 2.337 122.792 120.400 0.092 0.000 2.616 411 D HA 0.259 4.897 4.640 -0.004 0.000 0.238 411 D C -0.893 175.547 176.300 0.233 0.000 1.354 411 D CA -0.187 53.893 54.000 0.134 0.000 0.970 411 D CB 2.354 43.218 40.800 0.106 0.000 1.369 411 D HN 0.816 nan 8.370 nan 0.000 0.585 412 T N -1.326 113.400 114.554 0.286 0.000 2.904 412 T HA 0.607 4.955 4.350 -0.004 0.000 0.290 412 T C 0.492 175.334 174.700 0.236 0.000 1.018 412 T CA -0.581 61.728 62.100 0.348 0.000 1.075 412 T CB 1.495 70.641 68.868 0.462 0.000 0.986 412 T HN 0.237 nan 8.240 nan 0.000 0.523 413 V N -1.509 118.514 119.914 0.183 0.000 3.012 413 V HA 0.712 4.830 4.120 -0.004 0.000 0.307 413 V C -0.507 175.627 176.094 0.067 0.000 1.166 413 V CA -1.700 60.664 62.300 0.106 0.000 0.974 413 V CB 1.710 33.579 31.823 0.076 0.000 1.040 413 V HN 0.983 nan 8.190 nan 0.000 0.428 414 K N 3.187 123.614 120.400 0.046 0.000 2.472 414 K HA 0.252 4.569 4.320 -0.004 0.000 0.280 414 K C 0.550 177.150 176.600 -0.001 0.000 1.028 414 K CA 1.042 57.344 56.287 0.025 0.000 1.045 414 K CB 0.096 32.607 32.500 0.018 0.000 0.902 414 K HN 1.262 nan 8.250 nan 0.000 0.478 415 T N 3.985 118.533 114.554 -0.010 0.000 2.871 415 T HA 0.108 4.456 4.350 -0.004 0.000 0.296 415 T C -1.465 173.224 174.700 -0.017 0.000 0.998 415 T CA -1.091 60.990 62.100 -0.031 0.000 1.162 415 T CB 0.673 69.523 68.868 -0.030 0.000 0.947 415 T HN 0.584 nan 8.240 nan 0.000 0.536 416 P HA 0.070 nan 4.420 nan 0.000 0.249 416 P C 0.023 177.364 177.300 0.069 0.000 1.241 416 P CA 0.537 63.638 63.100 0.000 0.000 0.781 416 P CB -0.034 31.646 31.700 -0.033 0.000 1.088 417 H N -0.467 118.570 119.070 -0.055 0.000 3.094 417 H HA 0.167 4.721 4.556 -0.003 0.000 0.335 417 H C -0.725 174.575 175.328 -0.046 0.000 1.254 417 H CA -0.367 55.654 56.048 -0.044 0.000 1.240 417 H CB 1.870 31.605 29.762 -0.045 0.000 1.936 417 H HN -0.115 nan 8.280 nan 0.000 0.536 418 S N 2.914 118.546 115.700 -0.113 0.000 2.576 418 S HA 0.250 4.718 4.470 -0.004 0.000 0.272 418 S C 0.364 175.068 174.600 0.174 0.000 1.352 418 S CA -0.456 57.745 58.200 0.002 0.000 1.021 418 S CB 0.254 63.400 63.200 -0.089 0.000 0.887 418 S HN 0.427 nan 8.310 nan 0.000 0.542 419 L N 1.677 122.933 121.223 0.056 0.000 2.581 419 L HA 0.352 4.690 4.340 -0.004 0.000 0.241 419 L C -1.658 175.209 176.870 -0.005 0.000 1.265 419 L CA -1.530 53.324 54.840 0.022 0.000 0.954 419 L CB 0.709 42.747 42.059 -0.035 0.000 1.269 419 L HN 0.545 nan 8.230 nan 0.000 0.475 420 P HA -0.114 nan 4.420 nan 0.000 0.222 420 P C 0.888 178.176 177.300 -0.021 0.000 1.147 420 P CA 1.161 64.261 63.100 0.001 0.000 0.790 420 P CB 0.434 32.147 31.700 0.021 0.000 0.780 421 K N -1.257 119.124 120.400 -0.030 0.000 2.355 421 K HA 0.142 4.460 4.320 -0.004 0.000 0.198 421 K C 0.407 176.967 176.600 -0.066 0.000 1.039 421 K CA -0.485 55.776 56.287 -0.043 0.000 1.075 421 K CB 0.123 32.600 32.500 -0.038 0.000 0.870 421 K HN 0.004 nan 8.250 nan 0.000 0.540 422 L N 3.158 124.333 121.223 -0.080 0.000 2.485 422 L HA 0.121 4.458 4.340 -0.004 0.000 0.279 422 L C -2.092 174.704 176.870 -0.123 0.000 1.124 422 L CA -1.741 53.030 54.840 -0.116 0.000 0.888 422 L CB 0.757 42.736 42.059 -0.134 0.000 1.217 422 L HN -0.079 nan 8.230 nan 0.000 0.464 423 P HA -0.015 nan 4.420 nan 0.000 0.239 423 P C -0.605 176.606 177.300 -0.147 0.000 1.184 423 P CA 0.568 63.597 63.100 -0.119 0.000 0.760 423 P CB -0.100 31.536 31.700 -0.107 0.000 0.884 424 V N -5.416 114.385 119.914 -0.188 0.000 3.102 424 V HA 0.868 4.986 4.120 -0.004 0.000 0.312 424 V C -0.163 175.758 176.094 -0.288 0.000 1.135 424 V CA -1.948 60.217 62.300 -0.226 0.000 1.022 424 V CB 1.278 32.957 31.823 -0.240 0.000 1.056 424 V HN -0.066 nan 8.190 nan 0.000 0.436 425 A N 2.018 124.593 122.820 -0.409 0.000 2.386 425 A HA 0.677 4.995 4.320 -0.004 0.000 0.246 425 A C 0.126 177.427 177.584 -0.470 0.000 1.089 425 A CA 0.424 52.074 52.037 -0.645 0.000 0.790 425 A CB -0.257 17.857 19.000 -1.477 0.000 1.042 425 A HN 1.642 nan 8.150 nan 0.000 0.497 426 N N -1.319 117.129 118.700 -0.421 0.000 2.329 426 N HA 0.671 5.409 4.740 -0.004 0.000 0.282 426 N C -0.923 174.471 175.510 -0.194 0.000 1.198 426 N CA -0.160 52.733 53.050 -0.262 0.000 0.790 426 N CB 2.016 40.381 38.487 -0.204 0.000 1.579 426 N HN 0.809 nan 8.380 nan 0.000 0.475 427 A N 0.817 123.556 122.820 -0.136 0.000 2.356 427 A HA 0.837 5.155 4.320 -0.004 0.000 0.323 427 A C -1.483 176.078 177.584 -0.039 0.000 1.119 427 A CA -0.659 51.349 52.037 -0.047 0.000 0.790 427 A CB 1.171 20.142 19.000 -0.048 0.000 1.273 427 A HN 0.703 nan 8.150 nan 0.000 0.452 428 L N 1.605 122.873 121.223 0.076 0.000 2.516 428 L HA 0.793 5.131 4.340 -0.004 0.000 0.267 428 L C -1.687 175.277 176.870 0.156 0.000 0.957 428 L CA 0.068 54.870 54.840 -0.064 0.000 0.860 428 L CB 1.408 43.421 42.059 -0.076 0.000 1.265 428 L HN 0.933 nan 8.230 nan 0.000 0.403 429 W N 3.491 124.795 121.300 0.008 0.000 3.167 429 W HA 0.702 5.361 4.660 -0.003 0.000 0.324 429 W C -1.664 174.859 176.519 0.006 0.000 1.230 429 W CA -1.093 56.270 57.345 0.031 0.000 1.184 429 W CB 0.820 30.320 29.460 0.067 0.000 1.414 429 W HN 0.501 nan 8.180 nan 0.000 0.551 430 K N 2.211 122.766 120.400 0.259 0.000 2.172 430 K HA 0.748 5.065 4.320 -0.004 0.000 0.276 430 K C -0.231 176.545 176.600 0.293 0.000 1.013 430 K CA -0.662 55.729 56.287 0.173 0.000 0.913 430 K CB 1.548 34.104 32.500 0.094 0.000 1.055 430 K HN 0.616 nan 8.250 nan 0.000 0.461 431 A N 3.561 126.524 122.820 0.238 0.000 2.301 431 A HA 0.152 4.470 4.320 -0.004 0.000 0.298 431 A C -0.335 177.301 177.584 0.087 0.000 1.185 431 A CA -0.719 51.440 52.037 0.203 0.000 0.830 431 A CB 0.332 19.439 19.000 0.178 0.000 1.112 431 A HN 0.775 nan 8.150 nan 0.000 0.508 432 Q N 3.161 122.999 119.800 0.063 0.000 2.327 432 Q HA 0.199 4.537 4.340 -0.004 0.000 0.254 432 Q C -1.537 174.478 176.000 0.026 0.000 0.952 432 Q CA -1.720 54.107 55.803 0.039 0.000 0.884 432 Q CB 1.089 29.847 28.738 0.034 0.000 1.224 432 Q HN 0.573 nan 8.270 nan 0.000 0.422 433 P HA -0.083 nan 4.420 nan 0.000 0.227 433 P C -0.871 176.436 177.300 0.011 0.000 1.161 433 P CA 1.093 64.202 63.100 0.014 0.000 0.788 433 P CB 0.434 32.138 31.700 0.007 0.000 0.822 434 D N -3.298 117.102 120.400 -0.000 0.000 2.653 434 D HA 0.116 4.754 4.640 -0.004 0.000 0.258 434 D C 0.531 176.812 176.300 -0.032 0.000 1.252 434 D CA -0.823 53.172 54.000 -0.009 0.000 0.777 434 D CB 0.181 40.976 40.800 -0.009 0.000 1.339 434 D HN -0.288 nan 8.370 nan 0.000 0.422 435 L N 0.649 121.832 121.223 -0.067 0.000 1.990 435 L HA 0.031 4.368 4.340 -0.004 0.000 0.213 435 L C -1.037 175.766 176.870 -0.110 0.000 1.072 435 L CA 2.215 56.970 54.840 -0.142 0.000 0.755 435 L CB -1.293 40.587 42.059 -0.299 0.000 0.889 435 L HN 0.493 nan 8.230 nan 0.000 0.432 436 P HA -0.110 nan 4.420 nan 0.000 0.215 436 P C 1.534 178.815 177.300 -0.032 0.000 1.153 436 P CA 2.033 65.116 63.100 -0.028 0.000 0.853 436 P CB -0.139 31.561 31.700 -0.000 0.000 0.788 437 T N -0.837 113.692 114.554 -0.041 0.000 2.809 437 T HA -0.001 4.346 4.350 -0.004 0.000 0.260 437 T C 1.920 176.576 174.700 -0.075 0.000 1.039 437 T CA 1.236 63.296 62.100 -0.066 0.000 1.141 437 T CB -1.029 67.796 68.868 -0.072 0.000 0.869 437 T HN -0.004 nan 8.240 nan 0.000 0.437 438 A N 2.412 125.204 122.820 -0.045 0.000 1.896 438 A HA -0.231 4.087 4.320 -0.004 0.000 0.220 438 A C 2.596 180.198 177.584 0.030 0.000 1.206 438 A CA 2.891 54.923 52.037 -0.008 0.000 0.647 438 A CB -1.217 17.787 19.000 0.007 0.000 0.828 438 A HN 0.635 nan 8.150 nan 0.000 0.455 439 S N -0.477 115.225 115.700 0.004 0.000 2.371 439 S HA -0.153 4.315 4.470 -0.004 0.000 0.224 439 S C 1.737 176.406 174.600 0.116 0.000 1.029 439 S CA 1.358 59.586 58.200 0.046 0.000 0.978 439 S CB -0.511 62.688 63.200 -0.002 0.000 0.833 439 S HN 0.678 nan 8.310 nan 0.000 0.466 440 E N 1.791 122.022 120.200 0.052 0.000 2.072 440 E HA 0.030 4.378 4.350 -0.004 0.000 0.191 440 E C 2.426 179.055 176.600 0.048 0.000 0.985 440 E CA 0.919 57.350 56.400 0.052 0.000 0.801 440 E CB -0.392 29.311 29.700 0.005 0.000 0.750 440 E HN 0.689 nan 8.360 nan 0.000 0.452 441 A N 1.573 124.358 122.820 -0.058 0.000 1.902 441 A HA -0.182 4.136 4.320 -0.004 0.000 0.217 441 A C 1.908 179.564 177.584 0.119 0.000 1.181 441 A CA 0.904 52.788 52.037 -0.255 0.000 0.623 441 A CB -0.920 17.596 19.000 -0.806 0.000 0.818 441 A HN 0.534 nan 8.150 nan 0.000 0.443 442 W N 0.512 121.814 121.300 0.004 0.000 2.363 442 W HA -0.164 4.493 4.660 -0.004 0.000 0.296 442 W C 1.708 178.289 176.519 0.104 0.000 1.212 442 W CA 1.766 59.166 57.345 0.092 0.000 1.260 442 W CB -0.238 29.269 29.460 0.077 0.000 1.131 442 W HN 0.346 nan 8.180 nan 0.000 0.530 443 I N 0.346 121.126 120.570 0.350 0.000 2.233 443 I HA -0.330 3.837 4.170 -0.004 0.000 0.243 443 I C 2.593 178.797 176.117 0.145 0.000 1.093 443 I CA 0.950 62.395 61.300 0.241 0.000 1.380 443 I CB -0.767 37.355 38.000 0.205 0.000 1.067 443 I HN -0.170 nan 8.210 nan 0.000 0.413 444 L N 0.572 121.887 121.223 0.154 0.000 2.043 444 L HA -0.256 4.082 4.340 -0.004 0.000 0.212 444 L C 2.538 179.480 176.870 0.119 0.000 1.075 444 L CA 1.613 56.540 54.840 0.144 0.000 0.752 444 L CB -0.720 41.462 42.059 0.206 0.000 0.891 444 L HN 0.267 nan 8.230 nan 0.000 0.432 445 A N -1.081 121.822 122.820 0.140 0.000 2.238 445 A HA 0.340 4.658 4.320 -0.004 0.000 0.208 445 A C 1.549 179.087 177.584 -0.077 0.000 1.177 445 A CA 0.918 52.972 52.037 0.028 0.000 0.804 445 A CB -0.400 18.630 19.000 0.049 0.000 0.823 445 A HN 0.586 nan 8.150 nan 0.000 0.482 446 G N -1.045 107.723 108.800 -0.052 0.000 2.833 446 G HA2 0.319 4.277 3.960 -0.004 0.000 0.260 446 G HA3 0.319 4.277 3.960 -0.004 0.000 0.260 446 G C 1.176 175.981 174.900 -0.159 0.000 1.412 446 G CA 0.477 45.539 45.100 -0.063 0.000 0.986 446 G HN 2.450 nan 8.290 nan 0.000 0.556 447 G N -0.129 108.516 108.800 -0.259 0.000 3.396 447 G HA2 0.456 4.414 3.960 -0.004 0.000 0.682 447 G HA3 0.456 4.414 3.960 -0.004 0.000 0.682 447 G C 0.464 175.349 174.900 -0.025 0.000 0.924 447 G CA 0.879 45.663 45.100 -0.527 0.000 0.770 447 G HN 2.483 nan 8.290 nan 0.000 0.484 448 A N 2.219 125.074 122.820 0.058 0.000 2.429 448 A HA 0.613 4.931 4.320 -0.004 0.000 0.242 448 A C 1.319 179.104 177.584 0.336 0.000 1.088 448 A CA 1.085 53.181 52.037 0.099 0.000 0.784 448 A CB 0.135 19.075 19.000 -0.101 0.000 1.038 448 A HN 2.112 nan 8.150 nan 0.000 0.501 449 H N -0.768 118.413 119.070 0.185 0.000 2.462 449 H HA 0.041 4.596 4.556 -0.003 0.000 0.292 449 H C 0.507 175.937 175.328 0.171 0.000 1.049 449 H CA 1.369 57.490 56.048 0.122 0.000 1.334 449 H CB -0.480 29.275 29.762 -0.011 0.000 1.404 449 H HN 0.750 nan 8.280 nan 0.000 0.544 450 H N 1.216 120.091 119.070 -0.326 0.000 2.690 450 H HA 0.306 4.859 4.556 -0.004 0.000 0.314 450 H C 0.064 175.375 175.328 -0.029 0.000 1.069 450 H CA -0.082 55.871 56.048 -0.159 0.000 1.436 450 H CB 0.936 30.628 29.762 -0.115 0.000 1.462 450 H HN 0.515 nan 8.280 nan 0.000 0.511 451 T N -0.143 114.444 114.554 0.056 0.000 2.896 451 T HA 0.395 4.743 4.350 -0.004 0.000 0.297 451 T C -0.578 174.138 174.700 0.027 0.000 1.108 451 T CA -0.974 61.175 62.100 0.082 0.000 1.004 451 T CB 1.412 70.338 68.868 0.095 0.000 1.159 451 T HN 0.220 nan 8.240 nan 0.000 0.499 452 V N 3.008 122.943 119.914 0.036 0.000 2.348 452 V HA 0.439 4.557 4.120 -0.004 0.000 0.270 452 V C -0.339 175.756 176.094 0.001 0.000 1.037 452 V CA -0.770 61.548 62.300 0.031 0.000 0.872 452 V CB -0.036 31.773 31.823 -0.024 0.000 1.002 452 V HN 0.844 nan 8.190 nan 0.000 0.464 453 F N 4.774 124.646 119.950 -0.129 0.000 2.384 453 F HA 0.652 5.177 4.527 -0.003 0.000 0.338 453 F C 0.374 176.077 175.800 -0.162 0.000 1.103 453 F CA 0.325 58.198 58.000 -0.212 0.000 1.157 453 F CB 1.411 40.269 39.000 -0.237 0.000 1.167 453 F HN 0.437 nan 8.300 nan 0.000 0.529 454 S N 3.961 119.135 115.700 -0.876 0.000 2.614 454 S HA 0.282 4.750 4.470 -0.004 0.000 0.275 454 S C -0.138 174.043 174.600 -0.699 0.000 1.161 454 S CA -0.510 57.374 58.200 -0.527 0.000 0.969 454 S CB 0.645 63.691 63.200 -0.257 0.000 1.059 454 S HN 0.896 nan 8.310 nan 0.000 0.482 455 H N 2.563 121.448 119.070 -0.308 0.000 2.497 455 H HA 0.254 4.807 4.556 -0.004 0.000 0.282 455 H C 2.021 177.286 175.328 -0.104 0.000 1.003 455 H CA 1.243 57.190 56.048 -0.169 0.000 1.307 455 H CB 0.418 30.199 29.762 0.032 0.000 1.437 455 H HN 0.646 nan 8.280 nan 0.000 0.544 456 A N 0.464 123.307 122.820 0.039 0.000 1.935 456 A HA 0.135 4.453 4.320 -0.004 0.000 0.214 456 A C 0.721 178.296 177.584 -0.015 0.000 1.178 456 A CA 0.297 52.347 52.037 0.022 0.000 0.640 456 A CB 0.004 19.023 19.000 0.031 0.000 0.825 456 A HN 0.150 nan 8.150 nan 0.000 0.447 457 L N 0.822 122.011 121.223 -0.056 0.000 2.360 457 L HA 0.408 4.746 4.340 -0.004 0.000 0.271 457 L C -0.186 176.638 176.870 -0.077 0.000 1.057 457 L CA -0.904 53.901 54.840 -0.060 0.000 0.803 457 L CB 1.245 43.255 42.059 -0.081 0.000 1.207 457 L HN 0.544 nan 8.230 nan 0.000 0.445 458 N N 0.527 119.201 118.700 -0.044 0.000 2.701 458 N HA 0.285 5.023 4.740 -0.004 0.000 0.290 458 N C 0.215 175.717 175.510 -0.014 0.000 1.338 458 N CA -0.921 52.107 53.050 -0.037 0.000 0.799 458 N CB 0.538 39.016 38.487 -0.014 0.000 1.491 458 N HN 0.408 nan 8.380 nan 0.000 0.540 459 L N 0.218 121.441 121.223 -0.000 0.000 2.042 459 L HA -0.057 4.281 4.340 -0.004 0.000 0.210 459 L C 1.663 178.564 176.870 0.052 0.000 1.076 459 L CA 1.980 56.836 54.840 0.027 0.000 0.749 459 L CB -1.475 40.605 42.059 0.035 0.000 0.893 459 L HN 0.836 nan 8.230 nan 0.000 0.432 460 N N -0.367 118.364 118.700 0.051 0.000 2.104 460 N HA -0.213 4.525 4.740 -0.004 0.000 0.190 460 N C 1.539 177.099 175.510 0.085 0.000 1.024 460 N CA 1.729 54.820 53.050 0.069 0.000 0.853 460 N CB -0.238 38.285 38.487 0.060 0.000 1.008 460 N HN 0.444 nan 8.380 nan 0.000 0.424 461 D N -0.102 120.337 120.400 0.065 0.000 2.087 461 D HA -0.173 4.465 4.640 -0.004 0.000 0.192 461 D C 1.858 178.229 176.300 0.117 0.000 0.993 461 D CA 1.138 55.182 54.000 0.074 0.000 0.828 461 D CB -0.232 40.585 40.800 0.028 0.000 0.968 461 D HN 0.328 nan 8.370 nan 0.000 0.448 462 M N 0.418 120.072 119.600 0.090 0.000 2.279 462 M HA -0.073 4.404 4.480 -0.004 0.000 0.264 462 M C 2.132 178.566 176.300 0.223 0.000 1.062 462 M CA 0.929 56.318 55.300 0.148 0.000 1.099 462 M CB -0.857 31.784 32.600 0.069 0.000 1.394 462 M HN 0.005 nan 8.290 nan 0.000 0.426 463 R N -0.034 120.562 120.500 0.160 0.000 2.073 463 R HA -0.148 4.189 4.340 -0.004 0.000 0.234 463 R C 2.292 178.694 176.300 0.170 0.000 1.134 463 R CA 1.498 57.689 56.100 0.152 0.000 0.952 463 R CB -0.192 30.179 30.300 0.118 0.000 0.850 463 R HN 0.487 nan 8.270 nan 0.000 0.433 464 Q N -0.649 119.257 119.800 0.178 0.000 2.124 464 Q HA -0.195 4.142 4.340 -0.004 0.000 0.202 464 Q C 1.838 177.953 176.000 0.191 0.000 0.977 464 Q CA 1.579 57.493 55.803 0.185 0.000 0.850 464 Q CB -0.173 28.682 28.738 0.194 0.000 0.901 464 Q HN 0.262 nan 8.270 nan 0.000 0.429 465 F N 1.093 121.099 119.950 0.094 0.000 2.069 465 F HA -0.277 4.248 4.527 -0.004 0.000 0.298 465 F C 2.121 178.036 175.800 0.193 0.000 1.113 465 F CA 1.662 59.738 58.000 0.128 0.000 1.214 465 F CB -0.570 38.500 39.000 0.117 0.000 0.978 465 F HN 0.022 nan 8.300 nan 0.000 0.474 466 A N -0.034 122.870 122.820 0.140 0.000 1.908 466 A HA -0.223 4.095 4.320 -0.004 0.000 0.218 466 A C 2.142 179.747 177.584 0.035 0.000 1.181 466 A CA 1.967 54.035 52.037 0.052 0.000 0.627 466 A CB -0.951 18.134 19.000 0.141 0.000 0.818 466 A HN 0.617 nan 8.150 nan 0.000 0.445 467 E N -1.442 118.801 120.200 0.073 0.000 2.072 467 E HA -0.210 4.138 4.350 -0.004 0.000 0.191 467 E C 1.968 178.584 176.600 0.026 0.000 0.985 467 E CA 1.422 57.873 56.400 0.084 0.000 0.801 467 E CB -0.240 29.526 29.700 0.111 0.000 0.750 467 E HN 0.594 nan 8.360 nan 0.000 0.452 468 M N 0.028 119.602 119.600 -0.045 0.000 2.149 468 M HA -0.161 4.317 4.480 -0.004 0.000 0.261 468 M C 1.245 177.337 176.300 -0.347 0.000 1.064 468 M CA 1.895 57.087 55.300 -0.180 0.000 1.102 468 M CB -0.073 32.371 32.600 -0.259 0.000 1.369 468 M HN 0.082 nan 8.290 nan 0.000 0.408 469 H N -1.516 117.448 119.070 -0.178 0.000 2.575 469 H HA 0.150 4.704 4.556 -0.003 0.000 0.267 469 H C 0.010 175.273 175.328 -0.109 0.000 0.966 469 H CA 0.566 56.504 56.048 -0.182 0.000 1.165 469 H CB 0.321 29.935 29.762 -0.247 0.000 1.433 469 H HN 0.334 nan 8.280 nan 0.000 0.544 470 D N 0.625 121.060 120.400 0.059 0.000 2.746 470 D HA -0.162 4.475 4.640 -0.004 0.000 0.236 470 D C -0.522 175.848 176.300 0.117 0.000 1.129 470 D CA 0.673 54.756 54.000 0.137 0.000 0.691 470 D CB -1.453 39.420 40.800 0.122 0.000 1.077 470 D HN 0.618 nan 8.370 nan 0.000 0.432 471 I N -2.701 117.891 120.570 0.037 0.000 2.750 471 I HA 0.556 4.724 4.170 -0.004 0.000 0.308 471 I C 0.552 176.500 176.117 -0.282 0.000 1.016 471 I CA -1.239 60.003 61.300 -0.096 0.000 1.098 471 I CB 1.571 39.601 38.000 0.050 0.000 1.279 471 I HN 0.010 nan 8.210 nan 0.000 0.454 472 E N 4.059 123.892 120.200 -0.612 0.000 2.376 472 E HA 0.202 4.550 4.350 -0.004 0.000 0.266 472 E C -1.116 175.399 176.600 -0.142 0.000 1.009 472 E CA -0.303 55.780 56.400 -0.528 0.000 0.902 472 E CB 1.053 30.440 29.700 -0.521 0.000 0.972 472 E HN 0.679 nan 8.360 nan 0.000 0.439 473 I N 4.602 125.155 120.570 -0.029 0.000 2.339 473 I HA 0.213 4.381 4.170 -0.004 0.000 0.290 473 I C -0.834 175.294 176.117 0.019 0.000 0.994 473 I CA -0.361 60.957 61.300 0.030 0.000 1.191 473 I CB 1.287 39.339 38.000 0.087 0.000 1.343 473 I HN 0.499 nan 8.210 nan 0.000 0.458 474 T N 6.710 121.265 114.554 0.002 0.000 2.799 474 T HA 0.415 4.762 4.350 -0.004 0.000 0.286 474 T C -0.376 174.395 174.700 0.119 0.000 0.973 474 T CA -0.381 61.725 62.100 0.011 0.000 1.035 474 T CB 1.409 70.259 68.868 -0.030 0.000 0.932 474 T HN 0.281 nan 8.240 nan 0.000 0.469 475 V N 5.148 125.178 119.914 0.194 0.000 2.409 475 V HA 0.475 4.592 4.120 -0.004 0.000 0.291 475 V C -0.271 176.011 176.094 0.313 0.000 1.020 475 V CA -0.760 61.669 62.300 0.215 0.000 0.848 475 V CB 1.284 33.201 31.823 0.156 0.000 0.990 475 V HN 0.800 nan 8.190 nan 0.000 0.430 476 I N 6.356 127.071 120.570 0.242 0.000 2.382 476 I HA 0.578 4.746 4.170 -0.004 0.000 0.285 476 I C -0.641 175.539 176.117 0.106 0.000 1.007 476 I CA -0.079 61.317 61.300 0.160 0.000 1.142 476 I CB 1.383 39.480 38.000 0.162 0.000 1.289 476 I HN 0.800 nan 8.210 nan 0.000 0.453 477 D N 3.137 123.583 120.400 0.077 0.000 2.768 477 D HA 0.093 4.731 4.640 -0.004 0.000 0.327 477 D C -0.030 176.296 176.300 0.044 0.000 1.302 477 D CA -0.732 53.302 54.000 0.057 0.000 0.897 477 D CB 0.415 41.251 40.800 0.060 0.000 1.420 477 D HN 0.309 nan 8.370 nan 0.000 0.494 478 N N -0.728 117.995 118.700 0.039 0.000 2.322 478 N HA -0.145 4.593 4.740 -0.004 0.000 0.189 478 N C 0.249 175.781 175.510 0.037 0.000 1.012 478 N CA 1.330 54.400 53.050 0.034 0.000 0.880 478 N CB -0.031 38.475 38.487 0.033 0.000 0.967 478 N HN 0.328 nan 8.380 nan 0.000 0.439 479 D N -0.303 120.125 120.400 0.048 0.000 2.339 479 D HA 0.015 4.652 4.640 -0.004 0.000 0.217 479 D C 0.054 176.391 176.300 0.063 0.000 1.050 479 D CA 0.435 54.467 54.000 0.054 0.000 0.856 479 D CB 0.132 40.969 40.800 0.061 0.000 0.922 479 D HN 0.109 nan 8.370 nan 0.000 0.518 480 T N 1.210 115.798 114.554 0.056 0.000 2.907 480 T HA 0.389 4.737 4.350 -0.004 0.000 0.298 480 T C 0.396 175.114 174.700 0.030 0.000 1.017 480 T CA -0.073 62.061 62.100 0.057 0.000 1.118 480 T CB 1.155 70.026 68.868 0.005 0.000 0.948 480 T HN -0.084 nan 8.240 nan 0.000 0.531 481 R N 1.637 122.170 120.500 0.054 0.000 2.604 481 R HA 0.390 4.728 4.340 -0.004 0.000 0.281 481 R C 0.867 177.203 176.300 0.060 0.000 1.020 481 R CA -0.675 55.448 56.100 0.038 0.000 0.899 481 R CB 1.202 31.533 30.300 0.052 0.000 1.205 481 R HN 0.452 nan 8.270 nan 0.000 0.450 482 L N 3.039 124.276 121.223 0.023 0.000 2.046 482 L HA -0.057 4.281 4.340 -0.004 0.000 0.208 482 L C -0.706 176.221 176.870 0.095 0.000 1.077 482 L CA 1.335 56.206 54.840 0.051 0.000 0.747 482 L CB -0.860 41.205 42.059 0.009 0.000 0.896 482 L HN 0.509 nan 8.230 nan 0.000 0.432 483 P HA -0.191 nan 4.420 nan 0.000 0.215 483 P C 1.388 178.690 177.300 0.003 0.000 1.153 483 P CA 2.021 65.136 63.100 0.024 0.000 0.853 483 P CB 0.066 31.779 31.700 0.022 0.000 0.788 484 A N -0.937 121.909 122.820 0.044 0.000 1.929 484 A HA -0.127 4.190 4.320 -0.004 0.000 0.216 484 A C 2.172 179.768 177.584 0.020 0.000 1.176 484 A CA 0.954 53.006 52.037 0.026 0.000 0.628 484 A CB -1.727 17.324 19.000 0.084 0.000 0.816 484 A HN 0.099 nan 8.150 nan 0.000 0.444 485 F N 0.852 120.771 119.950 -0.051 0.000 2.069 485 F HA -0.180 4.345 4.527 -0.004 0.000 0.298 485 F C 2.237 177.983 175.800 -0.089 0.000 1.113 485 F CA 2.275 60.250 58.000 -0.041 0.000 1.214 485 F CB -0.154 38.841 39.000 -0.009 0.000 0.978 485 F HN 0.101 nan 8.300 nan 0.000 0.474 486 K N -0.012 120.448 120.400 0.101 0.000 2.032 486 K HA -0.207 4.111 4.320 -0.004 0.000 0.209 486 K C 1.710 178.142 176.600 -0.280 0.000 1.048 486 K CA 1.872 58.129 56.287 -0.052 0.000 0.927 486 K CB -0.450 32.052 32.500 0.004 0.000 0.712 486 K HN 0.255 nan 8.250 nan 0.000 0.441 487 D N 0.632 120.788 120.400 -0.408 0.000 2.106 487 D HA -0.189 4.449 4.640 -0.004 0.000 0.191 487 D C 1.801 177.523 176.300 -0.964 0.000 0.997 487 D CA 1.654 55.106 54.000 -0.913 0.000 0.834 487 D CB -0.331 39.790 40.800 -1.131 0.000 0.956 487 D HN 0.242 nan 8.370 nan 0.000 0.448 488 A N 0.286 122.800 122.820 -0.510 0.000 1.978 488 A HA -0.148 4.170 4.320 -0.004 0.000 0.220 488 A C 2.310 179.784 177.584 -0.182 0.000 1.170 488 A CA 1.018 52.934 52.037 -0.202 0.000 0.636 488 A CB -0.757 18.161 19.000 -0.137 0.000 0.810 488 A HN 0.242 nan 8.150 nan 0.000 0.448 489 L N -1.294 119.749 121.223 -0.300 0.000 2.093 489 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 489 L C 2.885 179.696 176.870 -0.099 0.000 1.085 489 L CA 1.271 55.985 54.840 -0.210 0.000 0.755 489 L CB -0.431 41.480 42.059 -0.246 0.000 0.904 489 L HN 0.383 nan 8.230 nan 0.000 0.435 490 R N -1.023 119.376 120.500 -0.168 0.000 2.073 490 R HA -0.131 4.207 4.340 -0.004 0.000 0.229 490 R C 2.120 178.484 176.300 0.107 0.000 1.120 490 R CA 1.226 57.279 56.100 -0.079 0.000 0.967 490 R CB -0.286 29.904 30.300 -0.184 0.000 0.862 490 R HN 0.360 nan 8.270 nan 0.000 0.436 491 W N 1.388 122.705 121.300 0.029 0.000 2.436 491 W HA 0.019 4.677 4.660 -0.003 0.000 0.284 491 W C 1.648 178.211 176.519 0.074 0.000 1.225 491 W CA 0.051 57.419 57.345 0.037 0.000 1.271 491 W CB -0.840 28.626 29.460 0.009 0.000 1.114 491 W HN 0.120 nan 8.180 nan 0.000 0.559 492 N N 0.567 119.450 118.700 0.306 0.000 2.216 492 N HA -0.150 4.588 4.740 -0.004 0.000 0.183 492 N C 1.613 177.343 175.510 0.366 0.000 1.017 492 N CA 1.532 54.793 53.050 0.352 0.000 0.861 492 N CB -0.502 38.202 38.487 0.362 0.000 0.986 492 N HN 0.193 nan 8.380 nan 0.000 0.428 493 E N 0.988 121.329 120.200 0.235 0.000 2.049 493 E HA -0.153 4.195 4.350 -0.004 0.000 0.198 493 E C 1.857 178.583 176.600 0.210 0.000 1.007 493 E CA 1.782 58.295 56.400 0.189 0.000 0.809 493 E CB -0.139 29.625 29.700 0.107 0.000 0.749 493 E HN 0.209 nan 8.360 nan 0.000 0.450 494 V N -0.842 119.202 119.914 0.217 0.000 2.626 494 V HA -0.153 3.964 4.120 -0.004 0.000 0.252 494 V C 2.240 178.488 176.094 0.257 0.000 1.067 494 V CA 1.754 64.197 62.300 0.238 0.000 1.081 494 V CB -1.136 30.821 31.823 0.223 0.000 0.686 494 V HN 0.378 nan 8.190 nan 0.000 0.468 495 Y N 1.672 122.010 120.300 0.062 0.000 2.060 495 Y HA -0.174 4.374 4.550 -0.004 0.000 0.276 495 Y C 2.344 178.176 175.900 -0.113 0.000 1.127 495 Y CA 1.881 59.882 58.100 -0.165 0.000 1.104 495 Y CB -0.764 37.468 38.460 -0.380 0.000 0.983 495 Y HN 0.271 nan 8.280 nan 0.000 0.483 496 Y N 0.329 120.603 120.300 -0.044 0.000 2.632 496 Y HA 0.137 4.685 4.550 -0.003 0.000 0.301 496 Y C 1.899 177.804 175.900 0.009 0.000 1.172 496 Y CA 0.462 58.501 58.100 -0.102 0.000 1.328 496 Y CB -0.683 37.816 38.460 0.066 0.000 1.016 496 Y HN 0.235 nan 8.280 nan 0.000 0.529 497 G N -0.118 108.815 108.800 0.222 0.000 3.316 497 G HA2 0.341 4.299 3.960 -0.004 0.000 0.255 497 G HA3 0.341 4.299 3.960 -0.004 0.000 0.255 497 G C -0.746 174.233 174.900 0.130 0.000 0.880 497 G CA 0.232 45.425 45.100 0.155 0.000 1.956 497 G HN 0.133 nan 8.290 nan 0.000 0.634 498 F N 0.000 119.891 119.950 -0.099 0.000 2.286 498 F HA 0.000 4.525 4.527 -0.004 0.000 0.279 498 F CA 0.000 57.928 58.000 -0.120 0.000 1.383 498 F CB 0.000 38.877 39.000 -0.205 0.000 1.145 498 F HN 0.000 nan 8.300 nan 0.000 0.574