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 1oa0_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR DATA SEQUENCE LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA DATA SEQUENCE SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL DATA SEQUENCE KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK DATA SEQUENCE FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK DATA SEQUENCE QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG DATA SEQUENCE PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH DATA SEQUENCE AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGCD DATA SEQUENCE GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG DATA SEQUENCE QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL DATA SEQUENCE GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFFG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.599 174.600 -0.002 0.000 1.055 1 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 1 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 2 N N 1.381 120.083 118.700 0.003 0.000 2.520 2 N HA 0.369 5.109 4.740 0.001 0.000 0.273 2 N C 1.068 176.585 175.510 0.011 0.000 1.155 2 N CA 0.037 53.101 53.050 0.023 0.000 0.967 2 N CB 1.201 39.727 38.487 0.066 0.000 1.092 2 N HN 0.767 nan 8.380 nan 0.000 0.457 3 A N 2.423 125.249 122.820 0.010 0.000 2.015 3 A HA -0.033 4.287 4.320 0.001 0.000 0.219 3 A C 0.832 178.415 177.584 -0.001 0.000 1.163 3 A CA 1.279 53.317 52.037 0.001 0.000 0.646 3 A CB -0.313 18.689 19.000 0.002 0.000 0.806 3 A HN 0.813 nan 8.150 nan 0.000 0.448 4 M N -5.305 114.299 119.600 0.007 0.000 2.721 4 M HA 0.745 5.225 4.480 0.001 0.000 0.271 4 M C -1.631 174.698 176.300 0.048 0.000 1.259 4 M CA -0.749 54.551 55.300 0.000 0.000 0.835 4 M CB 1.813 34.395 32.600 -0.030 0.000 1.689 4 M HN -0.002 nan 8.290 nan 0.000 0.470 5 F N 1.523 121.390 119.950 -0.137 0.000 2.653 5 F HA 0.716 5.243 4.527 0.001 0.000 0.327 5 F C -1.883 173.784 175.800 -0.221 0.000 1.195 5 F CA -0.578 57.309 58.000 -0.189 0.000 0.993 5 F CB 1.648 40.494 39.000 -0.256 0.000 1.259 5 F HN 1.009 nan 8.300 nan 0.000 0.478 6 C N 7.711 126.579 119.300 -0.721 0.000 2.608 6 C HA 0.659 5.119 4.460 0.001 0.000 0.325 6 C C -0.844 173.895 174.990 -0.419 0.000 1.147 6 C CA -0.345 58.423 59.018 -0.416 0.000 1.359 6 C CB 0.801 28.415 27.740 -0.210 0.000 1.912 6 C HN 0.805 nan 8.230 nan 0.000 0.466 7 Y N 4.374 124.505 120.300 -0.282 0.000 2.742 7 Y HA 0.289 4.840 4.550 0.001 0.000 0.248 7 Y C 1.134 177.079 175.900 0.075 0.000 1.132 7 Y CA -0.533 57.511 58.100 -0.093 0.000 1.142 7 Y CB -1.533 36.956 38.460 0.048 0.000 1.222 7 Y HN 0.760 nan 8.280 nan 0.000 0.575 8 Q N 0.756 120.531 119.800 -0.042 0.000 2.432 8 Q HA 0.181 4.521 4.340 0.001 0.000 0.205 8 Q C 0.790 176.672 176.000 -0.196 0.000 0.945 8 Q CA 0.859 56.303 55.803 -0.598 0.000 0.924 8 Q CB 0.068 28.067 28.738 -1.233 0.000 1.016 8 Q HN 0.480 nan 8.270 nan 0.000 0.503 9 C N -1.784 117.432 119.300 -0.139 0.000 2.630 9 C HA 0.376 4.837 4.460 0.001 0.000 0.346 9 C C 1.480 176.261 174.990 -0.349 0.000 1.245 9 C CA -0.762 58.054 59.018 -0.337 0.000 1.804 9 C CB 2.088 29.396 27.740 -0.720 0.000 2.279 9 C HN 0.403 nan 8.230 nan 0.000 0.498 10 Q N 0.452 119.727 119.800 -0.874 0.000 2.226 10 Q HA -0.106 4.235 4.340 0.001 0.000 0.204 10 Q C 1.476 177.332 176.000 -0.240 0.000 0.975 10 Q CA 1.935 57.239 55.803 -0.832 0.000 0.866 10 Q CB -0.059 27.910 28.738 -1.282 0.000 0.915 10 Q HN 0.926 nan 8.270 nan 0.000 0.440 11 E N 0.386 120.528 120.200 -0.096 0.000 2.476 11 E HA 0.025 4.375 4.350 0.001 0.000 0.191 11 E C 0.103 176.712 176.600 0.015 0.000 1.064 11 E CA -0.203 56.215 56.400 0.029 0.000 0.866 11 E CB 0.216 30.026 29.700 0.184 0.000 0.952 11 E HN 0.121 nan 8.360 nan 0.000 0.492 12 T N 0.885 115.433 114.554 -0.010 0.000 2.946 12 T HA -0.035 4.315 4.350 0.001 0.000 0.312 12 T C 0.449 175.156 174.700 0.012 0.000 1.066 12 T CA -0.319 61.781 62.100 -0.000 0.000 1.138 12 T CB 0.477 69.361 68.868 0.026 0.000 1.014 12 T HN -0.173 nan 8.240 nan 0.000 0.544 13 V N 5.748 125.660 119.914 -0.003 0.000 2.539 13 V HA 0.246 4.367 4.120 0.001 0.000 0.300 13 V C 1.834 177.944 176.094 0.026 0.000 1.019 13 V CA 1.104 63.409 62.300 0.008 0.000 1.160 13 V CB -0.014 31.808 31.823 -0.002 0.000 0.901 13 V HN 1.319 nan 8.190 nan 0.000 0.481 14 G N 5.015 113.832 108.800 0.029 0.000 2.187 14 G HA2 -0.369 3.592 3.960 0.001 0.000 0.261 14 G HA3 -0.369 3.592 3.960 0.001 0.000 0.261 14 G C 0.604 175.535 174.900 0.051 0.000 1.000 14 G CA 0.636 45.758 45.100 0.038 0.000 0.718 14 G HN 1.289 nan 8.290 nan 0.000 0.519 15 N N -1.419 117.313 118.700 0.053 0.000 2.710 15 N HA -0.183 4.558 4.740 0.001 0.000 0.249 15 N C 1.206 176.780 175.510 0.107 0.000 1.059 15 N CA 2.183 55.277 53.050 0.073 0.000 0.720 15 N CB -0.752 37.773 38.487 0.063 0.000 0.983 15 N HN 0.862 nan 8.380 nan 0.000 0.544 16 K N -1.811 118.662 120.400 0.122 0.000 2.485 16 K HA 0.442 4.762 4.320 0.001 0.000 0.200 16 K C 0.627 177.363 176.600 0.228 0.000 1.344 16 K CA 0.509 56.907 56.287 0.185 0.000 0.948 16 K CB 1.019 33.606 32.500 0.145 0.000 1.454 16 K HN 0.218 nan 8.250 nan 0.000 0.502 17 G N 0.420 109.255 108.800 0.057 0.000 2.386 17 G HA2 0.119 4.079 3.960 0.001 0.000 0.302 17 G HA3 0.119 4.079 3.960 0.001 0.000 0.302 17 G C -1.334 173.412 174.900 -0.257 0.000 1.629 17 G CA -1.034 43.921 45.100 -0.242 0.000 0.917 17 G HN 0.117 nan 8.290 nan 0.000 0.676 18 C N 2.147 121.235 119.300 -0.354 0.000 2.373 18 C HA 0.580 5.040 4.460 0.001 0.000 0.354 18 C C 1.865 176.707 174.990 -0.246 0.000 1.249 18 C CA 0.374 59.262 59.018 -0.217 0.000 1.784 18 C CB -0.276 27.370 27.740 -0.156 0.000 2.408 18 C HN 0.974 nan 8.230 nan 0.000 0.542 19 T N -0.603 113.889 114.554 -0.103 0.000 2.971 19 T HA 0.046 4.397 4.350 0.001 0.000 0.252 19 T C 1.106 175.802 174.700 -0.005 0.000 1.022 19 T CA 0.384 62.471 62.100 -0.022 0.000 0.980 19 T CB 0.174 69.072 68.868 0.051 0.000 1.044 19 T HN 0.563 nan 8.240 nan 0.000 0.501 20 Q N 0.454 120.247 119.800 -0.012 0.000 2.589 20 Q HA 0.509 4.849 4.340 0.001 0.000 0.216 20 Q C -0.086 175.914 176.000 0.001 0.000 0.774 20 Q CA 0.329 56.132 55.803 -0.000 0.000 0.909 20 Q CB 0.869 29.611 28.738 0.007 0.000 1.283 20 Q HN 0.299 nan 8.270 nan 0.000 0.597 21 V N 0.518 120.434 119.914 0.003 0.000 2.925 21 V HA 0.841 4.962 4.120 0.001 0.000 0.311 21 V C -0.443 175.661 176.094 0.017 0.000 1.104 21 V CA -0.543 61.768 62.300 0.018 0.000 0.954 21 V CB 1.797 33.640 31.823 0.034 0.000 1.022 21 V HN 0.391 nan 8.190 nan 0.000 0.427 22 G N 3.007 111.828 108.800 0.036 0.000 2.467 22 G HA2 0.391 4.352 3.960 0.001 0.000 0.257 22 G HA3 0.391 4.352 3.960 0.001 0.000 0.257 22 G C 0.930 175.875 174.900 0.075 0.000 1.227 22 G CA 0.157 45.281 45.100 0.041 0.000 0.835 22 G HN 0.830 nan 8.290 nan 0.000 0.556 23 V N 1.519 121.473 119.914 0.068 0.000 2.469 23 V HA -0.269 3.851 4.120 0.001 0.000 0.251 23 V C 2.990 179.178 176.094 0.156 0.000 1.064 23 V CA 2.158 64.514 62.300 0.094 0.000 1.066 23 V CB -0.858 31.015 31.823 0.084 0.000 0.667 23 V HN 1.013 nan 8.190 nan 0.000 0.461 24 C N -0.292 119.126 119.300 0.197 0.000 2.500 24 C HA 0.493 4.954 4.460 0.001 0.000 0.273 24 C C 2.058 177.248 174.990 0.334 0.000 1.428 24 C CA -0.010 59.188 59.018 0.300 0.000 1.766 24 C CB -0.836 27.091 27.740 0.311 0.000 1.817 24 C HN 0.859 nan 8.230 nan 0.000 0.543 25 G N 0.373 109.328 108.800 0.258 0.000 2.179 25 G HA2 -0.226 3.734 3.960 0.001 0.000 0.220 25 G HA3 -0.226 3.734 3.960 0.001 0.000 0.220 25 G C 0.066 175.161 174.900 0.325 0.000 0.990 25 G CA 0.179 45.416 45.100 0.229 0.000 0.646 25 G HN 0.785 nan 8.290 nan 0.000 0.517 26 K N 1.642 122.271 120.400 0.382 0.000 2.412 26 K HA 0.365 4.686 4.320 0.001 0.000 0.284 26 K C 0.644 177.332 176.600 0.146 0.000 1.046 26 K CA -0.029 56.433 56.287 0.291 0.000 0.999 26 K CB 0.182 32.740 32.500 0.098 0.000 0.941 26 K HN 0.302 nan 8.250 nan 0.000 0.474 27 K N 5.191 125.668 120.400 0.129 0.000 2.126 27 K HA 0.100 4.420 4.320 0.001 0.000 0.257 27 K C -1.630 174.990 176.600 0.032 0.000 1.007 27 K CA -1.856 54.470 56.287 0.066 0.000 0.928 27 K CB 0.708 33.240 32.500 0.053 0.000 1.013 27 K HN 0.429 nan 8.250 nan 0.000 0.473 28 P HA -0.187 nan 4.420 nan 0.000 0.218 28 P C 0.402 177.700 177.300 -0.002 0.000 1.148 28 P CA 1.496 64.597 63.100 0.001 0.000 0.822 28 P CB 0.237 31.937 31.700 0.000 0.000 0.784 29 E N -0.640 119.562 120.200 0.002 0.000 2.106 29 E HA -0.087 4.263 4.350 0.001 0.000 0.192 29 E C 1.962 178.561 176.600 -0.002 0.000 0.984 29 E CA 1.351 57.750 56.400 -0.000 0.000 0.806 29 E CB -0.555 29.145 29.700 0.000 0.000 0.750 29 E HN 0.265 nan 8.360 nan 0.000 0.458 30 T N 1.080 115.634 114.554 -0.000 0.000 2.746 30 T HA -0.162 4.189 4.350 0.001 0.000 0.267 30 T C 2.042 176.729 174.700 -0.022 0.000 1.039 30 T CA 1.243 63.337 62.100 -0.009 0.000 1.142 30 T CB -0.224 68.649 68.868 0.009 0.000 0.866 30 T HN 0.233 nan 8.240 nan 0.000 0.444 31 A N 1.490 124.297 122.820 -0.021 0.000 1.940 31 A HA 0.117 4.438 4.320 0.001 0.000 0.219 31 A C 2.645 180.215 177.584 -0.024 0.000 1.176 31 A CA 1.881 53.898 52.037 -0.033 0.000 0.631 31 A CB -1.099 17.877 19.000 -0.039 0.000 0.814 31 A HN 0.516 nan 8.150 nan 0.000 0.446 32 A N -0.267 122.542 122.820 -0.018 0.000 1.877 32 A HA -0.033 4.287 4.320 0.001 0.000 0.216 32 A C 2.163 179.747 177.584 -0.001 0.000 1.186 32 A CA 1.489 53.515 52.037 -0.018 0.000 0.620 32 A CB -0.604 18.386 19.000 -0.017 0.000 0.822 32 A HN 0.472 nan 8.150 nan 0.000 0.443 33 L N -0.768 120.461 121.223 0.010 0.000 2.083 33 L HA -0.245 4.096 4.340 0.001 0.000 0.209 33 L C 2.890 179.783 176.870 0.038 0.000 1.083 33 L CA 1.446 56.305 54.840 0.031 0.000 0.752 33 L CB -0.565 41.507 42.059 0.022 0.000 0.899 33 L HN 0.495 nan 8.230 nan 0.000 0.433 34 Q N -0.256 119.554 119.800 0.018 0.000 2.079 34 Q HA -0.204 4.137 4.340 0.001 0.000 0.200 34 Q C 1.758 177.800 176.000 0.070 0.000 0.974 34 Q CA 1.429 57.251 55.803 0.031 0.000 0.840 34 Q CB -0.117 28.621 28.738 -0.001 0.000 0.898 34 Q HN 0.477 nan 8.270 nan 0.000 0.430 35 D N 0.643 121.074 120.400 0.052 0.000 2.117 35 D HA -0.129 4.512 4.640 0.001 0.000 0.197 35 D C 1.769 178.121 176.300 0.088 0.000 0.987 35 D CA 1.363 55.406 54.000 0.071 0.000 0.829 35 D CB -0.194 40.605 40.800 -0.002 0.000 0.961 35 D HN 0.253 nan 8.370 nan 0.000 0.460 36 A N 0.528 123.383 122.820 0.059 0.000 1.902 36 A HA -0.129 4.192 4.320 0.001 0.000 0.217 36 A C 2.128 179.841 177.584 0.216 0.000 1.181 36 A CA 0.941 53.041 52.037 0.105 0.000 0.623 36 A CB -0.661 18.414 19.000 0.125 0.000 0.818 36 A HN 0.240 nan 8.150 nan 0.000 0.443 37 L N -0.183 121.137 121.223 0.161 0.000 2.056 37 L HA -0.101 4.239 4.340 0.001 0.000 0.207 37 L C 2.084 179.038 176.870 0.140 0.000 1.078 37 L CA 1.559 56.485 54.840 0.142 0.000 0.749 37 L CB -0.381 41.733 42.059 0.092 0.000 0.901 37 L HN 0.320 nan 8.230 nan 0.000 0.433 38 I N -1.217 119.446 120.570 0.156 0.000 2.226 38 I HA -0.300 3.870 4.170 0.001 0.000 0.245 38 I C 2.461 178.672 176.117 0.157 0.000 1.100 38 I CA 1.347 62.738 61.300 0.152 0.000 1.374 38 I CB -1.396 36.739 38.000 0.225 0.000 1.057 38 I HN 0.354 nan 8.210 nan 0.000 0.413 39 Y N 2.418 122.752 120.300 0.058 0.000 2.097 39 Y HA -0.253 4.297 4.550 0.001 0.000 0.282 39 Y C 2.583 178.510 175.900 0.045 0.000 1.152 39 Y CA 2.473 60.588 58.100 0.025 0.000 1.136 39 Y CB -0.538 37.907 38.460 -0.024 0.000 0.975 39 Y HN 0.065 nan 8.280 nan 0.000 0.498 40 V N -3.494 116.484 119.914 0.107 0.000 2.809 40 V HA -0.136 3.984 4.120 0.001 0.000 0.256 40 V C 1.917 177.998 176.094 -0.021 0.000 1.080 40 V CA 2.085 64.401 62.300 0.026 0.000 1.102 40 V CB -1.362 30.572 31.823 0.186 0.000 0.705 40 V HN 0.418 nan 8.190 nan 0.000 0.475 41 T N 0.429 114.984 114.554 0.003 0.000 2.777 41 T HA -0.108 4.242 4.350 0.001 0.000 0.266 41 T C 1.875 176.530 174.700 -0.075 0.000 1.040 41 T CA 2.015 64.099 62.100 -0.027 0.000 1.141 41 T CB -0.258 68.607 68.868 -0.006 0.000 0.868 41 T HN 0.559 nan 8.240 nan 0.000 0.444 42 K N 0.596 120.938 120.400 -0.098 0.000 2.097 42 K HA -0.000 4.320 4.320 0.001 0.000 0.205 42 K C 2.630 179.134 176.600 -0.161 0.000 1.050 42 K CA 1.108 57.309 56.287 -0.143 0.000 0.938 42 K CB -0.427 31.980 32.500 -0.154 0.000 0.718 42 K HN 0.356 nan 8.250 nan 0.000 0.442 43 G N 1.708 110.391 108.800 -0.196 0.000 2.418 43 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 43 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 43 G C 1.434 176.264 174.900 -0.117 0.000 1.158 43 G CA 0.533 45.523 45.100 -0.183 0.000 0.771 43 G HN 0.159 nan 8.290 nan 0.000 0.545 44 L N 1.717 122.884 121.223 -0.094 0.000 2.046 44 L HA 0.122 4.462 4.340 0.001 0.000 0.208 44 L C 2.750 179.572 176.870 -0.079 0.000 1.077 44 L CA 2.349 57.146 54.840 -0.072 0.000 0.747 44 L CB -1.028 40.998 42.059 -0.055 0.000 0.896 44 L HN 0.160 nan 8.230 nan 0.000 0.432 45 G N -1.465 107.277 108.800 -0.097 0.000 2.418 45 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 45 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 45 G C 1.457 176.291 174.900 -0.109 0.000 1.158 45 G CA 0.775 45.809 45.100 -0.111 0.000 0.771 45 G HN 0.550 nan 8.290 nan 0.000 0.545 46 Q N -0.277 119.457 119.800 -0.110 0.000 2.050 46 Q HA -0.034 4.307 4.340 0.001 0.000 0.202 46 Q C 2.617 178.572 176.000 -0.075 0.000 0.980 46 Q CA 1.158 56.904 55.803 -0.097 0.000 0.840 46 Q CB -0.200 28.480 28.738 -0.097 0.000 0.898 46 Q HN 0.543 nan 8.270 nan 0.000 0.424 47 I N 0.420 120.949 120.570 -0.069 0.000 2.202 47 I HA -0.258 3.913 4.170 0.001 0.000 0.242 47 I C 2.422 178.511 176.117 -0.047 0.000 1.091 47 I CA 0.966 62.234 61.300 -0.053 0.000 1.368 47 I CB -0.387 37.584 38.000 -0.048 0.000 1.058 47 I HN 0.155 nan 8.210 nan 0.000 0.410 48 A N 0.235 123.024 122.820 -0.052 0.000 1.902 48 A HA -0.201 4.120 4.320 0.001 0.000 0.217 48 A C 2.385 179.942 177.584 -0.045 0.000 1.181 48 A CA 2.418 54.429 52.037 -0.043 0.000 0.623 48 A CB -1.104 17.869 19.000 -0.045 0.000 0.818 48 A HN 0.383 nan 8.150 nan 0.000 0.443 49 T N -0.414 114.103 114.554 -0.061 0.000 2.746 49 T HA -0.144 4.207 4.350 0.001 0.000 0.267 49 T C 2.062 176.735 174.700 -0.045 0.000 1.039 49 T CA 1.636 63.699 62.100 -0.062 0.000 1.142 49 T CB -0.227 68.589 68.868 -0.087 0.000 0.866 49 T HN 0.515 nan 8.240 nan 0.000 0.444 50 R N 0.284 120.758 120.500 -0.044 0.000 2.092 50 R HA 0.078 4.418 4.340 0.001 0.000 0.231 50 R C 2.427 178.713 176.300 -0.025 0.000 1.119 50 R CA 0.885 56.965 56.100 -0.033 0.000 0.970 50 R CB -0.434 29.845 30.300 -0.034 0.000 0.864 50 R HN 0.356 nan 8.270 nan 0.000 0.440 51 L N 0.117 121.326 121.223 -0.024 0.000 2.017 51 L HA -0.174 4.166 4.340 0.001 0.000 0.208 51 L C 2.523 179.386 176.870 -0.011 0.000 1.073 51 L CA 1.442 56.272 54.840 -0.016 0.000 0.745 51 L CB -0.320 41.730 42.059 -0.015 0.000 0.894 51 L HN 0.138 nan 8.230 nan 0.000 0.432 52 R N -0.136 120.356 120.500 -0.013 0.000 2.127 52 R HA -0.132 4.209 4.340 0.001 0.000 0.238 52 R C 2.167 178.463 176.300 -0.006 0.000 1.134 52 R CA 1.288 57.384 56.100 -0.006 0.000 0.975 52 R CB -0.443 29.852 30.300 -0.008 0.000 0.865 52 R HN 0.340 nan 8.270 nan 0.000 0.447 53 A N 1.590 124.403 122.820 -0.011 0.000 2.206 53 A HA -0.118 4.203 4.320 0.001 0.000 0.211 53 A C 1.418 178.998 177.584 -0.007 0.000 1.158 53 A CA 0.885 52.916 52.037 -0.009 0.000 0.761 53 A CB -0.207 18.783 19.000 -0.015 0.000 0.801 53 A HN 0.534 nan 8.150 nan 0.000 0.473 54 E N -2.053 118.143 120.200 -0.007 0.000 2.548 54 E HA 0.412 4.763 4.350 0.001 0.000 0.206 54 E C 0.804 177.403 176.600 -0.002 0.000 1.005 54 E CA 0.281 56.679 56.400 -0.005 0.000 0.951 54 E CB -0.274 29.422 29.700 -0.006 0.000 1.035 54 E HN 0.567 nan 8.360 nan 0.000 0.470 55 G N 1.333 110.133 108.800 0.000 0.000 2.143 55 G HA2 -0.302 3.659 3.960 0.001 0.000 0.249 55 G HA3 -0.302 3.659 3.960 0.001 0.000 0.249 55 G C -0.048 174.854 174.900 0.004 0.000 0.981 55 G CA 0.282 45.384 45.100 0.003 0.000 0.665 55 G HN 0.245 nan 8.290 nan 0.000 0.528 56 K N 0.365 120.766 120.400 0.002 0.000 2.098 56 K HA 0.707 5.027 4.320 0.001 0.000 0.258 56 K C 0.665 177.269 176.600 0.006 0.000 0.973 56 K CA -0.028 56.261 56.287 0.003 0.000 0.898 56 K CB 1.512 34.011 32.500 -0.001 0.000 1.057 56 K HN 0.447 nan 8.250 nan 0.000 0.447 57 A N 1.787 124.613 122.820 0.010 0.000 2.388 57 A HA 0.332 4.652 4.320 0.001 0.000 0.257 57 A C -0.396 177.197 177.584 0.016 0.000 1.095 57 A CA -0.462 51.585 52.037 0.016 0.000 0.791 57 A CB 0.440 19.452 19.000 0.020 0.000 1.029 57 A HN 0.410 nan 8.150 nan 0.000 0.489 58 V N 3.549 123.477 119.914 0.023 0.000 2.409 58 V HA 0.186 4.307 4.120 0.001 0.000 0.291 58 V C -0.207 175.913 176.094 0.042 0.000 1.020 58 V CA -0.835 61.478 62.300 0.022 0.000 0.848 58 V CB 1.443 33.275 31.823 0.014 0.000 0.990 58 V HN 0.938 nan 8.190 nan 0.000 0.430 59 D N 2.042 122.462 120.400 0.034 0.000 2.472 59 D HA -0.025 4.616 4.640 0.001 0.000 0.237 59 D C 1.073 177.415 176.300 0.069 0.000 1.141 59 D CA 0.401 54.430 54.000 0.049 0.000 0.875 59 D CB 0.881 41.694 40.800 0.022 0.000 1.192 59 D HN 0.706 nan 8.370 nan 0.000 0.450 60 H N 3.553 122.609 119.070 -0.025 0.000 2.489 60 H HA -0.093 4.463 4.556 0.001 0.000 0.293 60 H C 1.964 177.245 175.328 -0.079 0.000 1.066 60 H CA 1.736 57.739 56.048 -0.074 0.000 1.305 60 H CB 0.283 29.947 29.762 -0.163 0.000 1.386 60 H HN 0.439 nan 8.280 nan 0.000 0.551 61 R N 0.063 120.487 120.500 -0.126 0.000 2.127 61 R HA -0.107 4.233 4.340 0.001 0.000 0.238 61 R C 1.453 177.669 176.300 -0.139 0.000 1.134 61 R CA 1.648 57.654 56.100 -0.157 0.000 0.975 61 R CB -0.462 29.794 30.300 -0.074 0.000 0.865 61 R HN 0.270 nan 8.270 nan 0.000 0.447 62 I N 2.673 123.189 120.570 -0.089 0.000 2.226 62 I HA -0.212 3.958 4.170 0.001 0.000 0.245 62 I C 1.540 177.607 176.117 -0.083 0.000 1.100 62 I CA 1.430 62.690 61.300 -0.066 0.000 1.374 62 I CB -1.158 36.821 38.000 -0.035 0.000 1.057 62 I HN 0.171 nan 8.210 nan 0.000 0.413 63 D N 0.854 121.197 120.400 -0.096 0.000 2.123 63 D HA -0.191 4.450 4.640 0.001 0.000 0.196 63 D C 2.328 178.541 176.300 -0.144 0.000 0.992 63 D CA 1.203 55.153 54.000 -0.082 0.000 0.833 63 D CB -0.295 40.519 40.800 0.023 0.000 0.954 63 D HN 0.368 nan 8.370 nan 0.000 0.455 64 R N -0.190 120.148 120.500 -0.271 0.000 2.092 64 R HA -0.042 4.299 4.340 0.001 0.000 0.231 64 R C 2.266 178.509 176.300 -0.095 0.000 1.119 64 R CA 0.280 56.258 56.100 -0.204 0.000 0.970 64 R CB -0.341 29.799 30.300 -0.268 0.000 0.864 64 R HN 0.118 nan 8.270 nan 0.000 0.440 65 L N 0.715 121.886 121.223 -0.086 0.000 2.046 65 L HA -0.145 4.195 4.340 0.001 0.000 0.208 65 L C 2.028 178.881 176.870 -0.029 0.000 1.077 65 L CA 1.594 56.406 54.840 -0.047 0.000 0.747 65 L CB -0.322 41.710 42.059 -0.045 0.000 0.896 65 L HN -0.092 nan 8.230 nan 0.000 0.432 66 V N -0.363 119.529 119.914 -0.037 0.000 2.295 66 V HA -0.299 3.821 4.120 0.001 0.000 0.246 66 V C 2.702 178.791 176.094 -0.008 0.000 1.049 66 V CA 2.179 64.462 62.300 -0.027 0.000 1.024 66 V CB -1.292 30.506 31.823 -0.040 0.000 0.648 66 V HN 0.753 nan 8.190 nan 0.000 0.447 67 T N -1.383 113.169 114.554 -0.003 0.000 2.821 67 T HA -0.085 4.266 4.350 0.001 0.000 0.267 67 T C 1.980 176.728 174.700 0.080 0.000 1.046 67 T CA 1.499 63.616 62.100 0.028 0.000 1.139 67 T CB -0.841 68.049 68.868 0.038 0.000 0.871 67 T HN 0.467 nan 8.240 nan 0.000 0.454 68 G N 1.821 110.656 108.800 0.058 0.000 2.418 68 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 68 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 68 G C 1.705 176.641 174.900 0.061 0.000 1.158 68 G CA 0.698 45.837 45.100 0.064 0.000 0.771 68 G HN 0.472 nan 8.290 nan 0.000 0.545 69 N N 0.571 119.295 118.700 0.039 0.000 2.084 69 N HA -0.040 4.700 4.740 0.001 0.000 0.190 69 N C 2.292 177.837 175.510 0.058 0.000 1.030 69 N CA 0.748 53.820 53.050 0.038 0.000 0.849 69 N CB -0.492 38.011 38.487 0.026 0.000 1.012 69 N HN 0.298 nan 8.380 nan 0.000 0.423 70 L N -0.522 120.736 121.223 0.058 0.000 2.017 70 L HA -0.141 4.200 4.340 0.001 0.000 0.208 70 L C 2.171 179.106 176.870 0.108 0.000 1.073 70 L CA 0.918 55.793 54.840 0.057 0.000 0.745 70 L CB -0.423 41.642 42.059 0.010 0.000 0.894 70 L HN 0.069 nan 8.230 nan 0.000 0.432 71 F N 1.010 120.928 119.950 -0.054 0.000 2.171 71 F HA -0.159 4.369 4.527 0.001 0.000 0.300 71 F C 2.462 178.225 175.800 -0.062 0.000 1.090 71 F CA 0.884 58.839 58.000 -0.074 0.000 1.293 71 F CB -0.660 38.285 39.000 -0.091 0.000 1.013 71 F HN 0.013 nan 8.300 nan 0.000 0.486 72 A N -0.803 122.096 122.820 0.131 0.000 2.070 72 A HA -0.179 4.142 4.320 0.001 0.000 0.220 72 A C 1.995 179.577 177.584 -0.004 0.000 1.159 72 A CA 2.077 54.119 52.037 0.008 0.000 0.656 72 A CB -1.316 17.673 19.000 -0.018 0.000 0.800 72 A HN 0.456 nan 8.150 nan 0.000 0.453 73 T N -2.848 111.726 114.554 0.034 0.000 3.086 73 T HA 0.416 4.766 4.350 0.001 0.000 0.250 73 T C 0.512 175.206 174.700 -0.010 0.000 1.074 73 T CA -0.353 61.749 62.100 0.003 0.000 0.988 73 T CB -0.506 68.391 68.868 0.048 0.000 0.988 73 T HN 0.257 nan 8.240 nan 0.000 0.530 74 I N 2.967 123.553 120.570 0.026 0.000 2.754 74 I HA 0.066 4.237 4.170 0.001 0.000 0.285 74 I C 0.611 176.681 176.117 -0.079 0.000 1.166 74 I CA -0.319 60.974 61.300 -0.012 0.000 1.417 74 I CB 0.618 38.655 38.000 0.063 0.000 1.382 74 I HN 0.132 nan 8.210 nan 0.000 0.588 75 T N 6.284 120.753 114.554 -0.141 0.000 2.891 75 T HA -0.077 4.274 4.350 0.001 0.000 0.296 75 T C 0.676 175.324 174.700 -0.088 0.000 1.025 75 T CA 0.297 62.296 62.100 -0.168 0.000 1.149 75 T CB -0.195 68.496 68.868 -0.295 0.000 1.007 75 T HN 0.713 nan 8.240 nan 0.000 0.528 76 N N 0.071 118.726 118.700 -0.075 0.000 2.776 76 N HA -0.220 4.520 4.740 0.001 0.000 0.250 76 N C 0.748 176.326 175.510 0.114 0.000 1.112 76 N CA 0.929 54.050 53.050 0.117 0.000 0.733 76 N CB -1.352 37.204 38.487 0.116 0.000 1.097 76 N HN 0.773 nan 8.380 nan 0.000 0.558 77 A N -0.317 122.476 122.820 -0.045 0.000 1.909 77 A HA 0.225 4.545 4.320 0.001 0.000 0.209 77 A C 0.772 178.347 177.584 -0.014 0.000 1.247 77 A CA 1.070 53.108 52.037 0.002 0.000 0.660 77 A CB 0.345 19.344 19.000 -0.002 0.000 0.910 77 A HN 0.353 nan 8.150 nan 0.000 0.465 78 N N -1.703 116.891 118.700 -0.176 0.000 2.519 78 N HA 0.473 5.213 4.740 0.001 0.000 0.291 78 N C -1.167 174.203 175.510 -0.235 0.000 1.107 78 N CA -0.415 52.577 53.050 -0.097 0.000 0.904 78 N CB 0.897 39.323 38.487 -0.101 0.000 1.500 78 N HN 0.040 nan 8.380 nan 0.000 0.510 79 F N 0.126 120.069 119.950 -0.011 0.000 2.654 79 F HA 0.264 4.792 4.527 0.001 0.000 0.303 79 F C 0.576 176.235 175.800 -0.236 0.000 1.099 79 F CA -0.465 57.475 58.000 -0.100 0.000 1.270 79 F CB 0.459 39.403 39.000 -0.093 0.000 1.024 79 F HN 0.376 nan 8.300 nan 0.000 0.548 80 D N 0.953 121.329 120.400 -0.041 0.000 2.411 80 D HA 0.042 4.683 4.640 0.001 0.000 0.225 80 D C 0.677 176.934 176.300 -0.072 0.000 1.156 80 D CA 0.151 54.090 54.000 -0.102 0.000 0.874 80 D CB 0.766 41.514 40.800 -0.087 0.000 1.034 80 D HN 0.061 nan 8.370 nan 0.000 0.502 81 D N 2.503 122.861 120.400 -0.071 0.000 2.149 81 D HA -0.155 4.485 4.640 0.001 0.000 0.198 81 D C 1.093 177.376 176.300 -0.029 0.000 0.990 81 D CA 0.936 54.911 54.000 -0.041 0.000 0.839 81 D CB 0.304 41.083 40.800 -0.036 0.000 0.948 81 D HN 0.481 nan 8.370 nan 0.000 0.460 82 D N -0.004 120.376 120.400 -0.033 0.000 2.117 82 D HA -0.083 4.557 4.640 0.001 0.000 0.198 82 D C 2.155 178.446 176.300 -0.016 0.000 0.982 82 D CA 0.317 54.306 54.000 -0.019 0.000 0.828 82 D CB -0.057 40.733 40.800 -0.017 0.000 0.967 82 D HN 0.169 nan 8.370 nan 0.000 0.464 83 I N 0.531 121.084 120.570 -0.029 0.000 2.252 83 I HA -0.174 3.996 4.170 0.001 0.000 0.245 83 I C 2.432 178.535 176.117 -0.023 0.000 1.102 83 I CA 0.694 61.976 61.300 -0.031 0.000 1.385 83 I CB -0.781 37.177 38.000 -0.070 0.000 1.064 83 I HN 0.068 nan 8.210 nan 0.000 0.414 84 L N 0.716 121.924 121.223 -0.025 0.000 2.046 84 L HA -0.172 4.169 4.340 0.001 0.000 0.208 84 L C 2.837 179.715 176.870 0.012 0.000 1.077 84 L CA 1.390 56.224 54.840 -0.010 0.000 0.747 84 L CB -0.719 41.331 42.059 -0.015 0.000 0.896 84 L HN 0.173 nan 8.230 nan 0.000 0.432 85 A N -0.151 122.677 122.820 0.013 0.000 1.933 85 A HA -0.256 4.065 4.320 0.001 0.000 0.218 85 A C 2.199 179.794 177.584 0.018 0.000 1.175 85 A CA 1.934 53.987 52.037 0.026 0.000 0.628 85 A CB -0.449 18.562 19.000 0.019 0.000 0.814 85 A HN 0.393 nan 8.150 nan 0.000 0.444 86 E N 0.204 120.408 120.200 0.008 0.000 2.106 86 E HA -0.130 4.221 4.350 0.001 0.000 0.192 86 E C 2.144 178.748 176.600 0.006 0.000 0.984 86 E CA 1.278 57.681 56.400 0.004 0.000 0.806 86 E CB -0.241 29.461 29.700 0.004 0.000 0.750 86 E HN 0.586 nan 8.360 nan 0.000 0.458 87 R N -0.315 120.191 120.500 0.010 0.000 2.096 87 R HA -0.073 4.268 4.340 0.001 0.000 0.235 87 R C 2.352 178.667 176.300 0.024 0.000 1.127 87 R CA 1.285 57.393 56.100 0.013 0.000 0.968 87 R CB -0.388 29.919 30.300 0.011 0.000 0.861 87 R HN 0.135 nan 8.270 nan 0.000 0.440 88 V N 1.186 121.125 119.914 0.041 0.000 2.295 88 V HA -0.280 3.841 4.120 0.001 0.000 0.246 88 V C 2.365 178.473 176.094 0.022 0.000 1.049 88 V CA 1.792 64.132 62.300 0.067 0.000 1.024 88 V CB -0.497 31.396 31.823 0.116 0.000 0.648 88 V HN 0.326 nan 8.190 nan 0.000 0.447 89 R N -0.757 119.742 120.500 -0.002 0.000 2.083 89 R HA -0.149 4.191 4.340 0.001 0.000 0.237 89 R C 2.354 178.636 176.300 -0.030 0.000 1.137 89 R CA 1.573 57.654 56.100 -0.032 0.000 0.951 89 R CB -0.404 29.878 30.300 -0.029 0.000 0.851 89 R HN 0.371 nan 8.270 nan 0.000 0.434 90 M N 0.087 119.677 119.600 -0.016 0.000 2.159 90 M HA -0.118 4.363 4.480 0.001 0.000 0.263 90 M C 2.084 178.373 176.300 -0.019 0.000 1.063 90 M CA 1.734 57.023 55.300 -0.017 0.000 1.110 90 M CB -0.935 31.659 32.600 -0.011 0.000 1.374 90 M HN 0.152 nan 8.290 nan 0.000 0.411 91 T N 0.095 114.643 114.554 -0.009 0.000 2.857 91 T HA -0.106 4.244 4.350 0.001 0.000 0.266 91 T C 2.039 176.728 174.700 -0.019 0.000 1.048 91 T CA 1.212 63.308 62.100 -0.007 0.000 1.139 91 T CB -0.383 68.494 68.868 0.015 0.000 0.874 91 T HN 0.409 nan 8.240 nan 0.000 0.455 92 C N 1.733 121.016 119.300 -0.029 0.000 2.429 92 C HA 0.084 4.544 4.460 0.001 0.000 0.277 92 C C 3.227 178.180 174.990 -0.062 0.000 1.262 92 C CA 0.398 59.379 59.018 -0.062 0.000 1.733 92 C CB -1.392 26.273 27.740 -0.125 0.000 2.010 92 C HN 0.653 nan 8.230 nan 0.000 0.483 93 A N 0.534 123.322 122.820 -0.055 0.000 1.902 93 A HA 0.046 4.367 4.320 0.001 0.000 0.217 93 A C 2.362 179.922 177.584 -0.039 0.000 1.181 93 A CA 2.144 54.153 52.037 -0.048 0.000 0.623 93 A CB -0.913 18.063 19.000 -0.041 0.000 0.818 93 A HN 0.574 nan 8.150 nan 0.000 0.443 94 A N 0.788 123.587 122.820 -0.034 0.000 1.898 94 A HA -0.155 4.165 4.320 0.001 0.000 0.216 94 A C 2.115 179.679 177.584 -0.033 0.000 1.181 94 A CA 1.921 53.940 52.037 -0.031 0.000 0.620 94 A CB -0.475 18.506 19.000 -0.030 0.000 0.819 94 A HN 0.716 nan 8.150 nan 0.000 0.442 95 K N -0.216 120.163 120.400 -0.035 0.000 2.228 95 K HA -0.039 4.281 4.320 0.001 0.000 0.202 95 K C 1.920 178.499 176.600 -0.036 0.000 1.051 95 K CA 1.422 57.687 56.287 -0.037 0.000 0.960 95 K CB -0.207 32.270 32.500 -0.040 0.000 0.743 95 K HN 0.349 nan 8.250 nan 0.000 0.458 96 K N 1.494 121.870 120.400 -0.039 0.000 2.057 96 K HA -0.195 4.126 4.320 0.001 0.000 0.207 96 K C 2.188 178.769 176.600 -0.031 0.000 1.049 96 K CA 1.718 57.982 56.287 -0.038 0.000 0.931 96 K CB 0.011 32.483 32.500 -0.046 0.000 0.714 96 K HN 0.330 nan 8.250 nan 0.000 0.440 97 E N 0.494 120.676 120.200 -0.030 0.000 2.077 97 E HA -0.189 4.161 4.350 0.001 0.000 0.193 97 E C 2.065 178.651 176.600 -0.022 0.000 0.989 97 E CA 0.982 57.367 56.400 -0.024 0.000 0.800 97 E CB 0.010 29.696 29.700 -0.023 0.000 0.746 97 E HN 0.314 nan 8.360 nan 0.000 0.452 98 L N 0.263 121.472 121.223 -0.024 0.000 2.046 98 L HA -0.151 4.189 4.340 0.001 0.000 0.208 98 L C 2.647 179.503 176.870 -0.022 0.000 1.077 98 L CA 1.020 55.846 54.840 -0.022 0.000 0.747 98 L CB -0.490 41.553 42.059 -0.026 0.000 0.896 98 L HN 0.227 nan 8.230 nan 0.000 0.432 99 A N -0.022 122.783 122.820 -0.025 0.000 1.972 99 A HA -0.159 4.162 4.320 0.001 0.000 0.219 99 A C 2.459 180.032 177.584 -0.019 0.000 1.169 99 A CA 1.553 53.576 52.037 -0.023 0.000 0.635 99 A CB -0.539 18.446 19.000 -0.025 0.000 0.810 99 A HN 0.425 nan 8.150 nan 0.000 0.446 100 A N -0.808 122.001 122.820 -0.019 0.000 2.070 100 A HA -0.005 4.316 4.320 0.001 0.000 0.220 100 A C 2.219 179.795 177.584 -0.013 0.000 1.159 100 A CA 1.739 53.767 52.037 -0.016 0.000 0.656 100 A CB -0.522 18.468 19.000 -0.016 0.000 0.800 100 A HN 0.410 nan 8.150 nan 0.000 0.453 101 S N -0.615 115.077 115.700 -0.013 0.000 2.562 101 S HA 0.222 4.692 4.470 0.001 0.000 0.221 101 S C 0.526 175.120 174.600 -0.011 0.000 0.975 101 S CA -0.207 57.987 58.200 -0.011 0.000 0.918 101 S CB -0.329 62.865 63.200 -0.010 0.000 0.772 101 S HN 0.474 nan 8.310 nan 0.000 0.531 102 L N 1.755 122.970 121.223 -0.013 0.000 2.410 102 L HA 0.096 4.437 4.340 0.001 0.000 0.273 102 L C 1.606 178.470 176.870 -0.011 0.000 1.152 102 L CA -0.130 54.703 54.840 -0.013 0.000 0.855 102 L CB 0.648 42.698 42.059 -0.016 0.000 1.129 102 L HN 0.092 nan 8.230 nan 0.000 0.463 103 T N 0.100 114.649 114.554 -0.009 0.000 2.737 103 T HA -0.117 4.234 4.350 0.001 0.000 0.265 103 T C 0.494 175.189 174.700 -0.008 0.000 1.038 103 T CA 1.040 63.135 62.100 -0.008 0.000 1.144 103 T CB -0.054 68.810 68.868 -0.007 0.000 0.866 103 T HN 0.528 nan 8.240 nan 0.000 0.434 104 D N 0.916 121.311 120.400 -0.009 0.000 2.427 104 D HA 0.248 4.889 4.640 0.001 0.000 0.226 104 D C 0.107 176.400 176.300 -0.012 0.000 1.076 104 D CA -0.278 53.716 54.000 -0.010 0.000 0.849 104 D CB 1.004 41.798 40.800 -0.009 0.000 1.052 104 D HN 0.117 nan 8.370 nan 0.000 0.515 105 K N 1.155 121.549 120.400 -0.011 0.000 2.387 105 K HA 0.088 4.409 4.320 0.001 0.000 0.198 105 K C 0.780 177.374 176.600 -0.011 0.000 1.022 105 K CA -0.262 56.017 56.287 -0.012 0.000 1.128 105 K CB 0.393 32.886 32.500 -0.011 0.000 0.853 105 K HN 0.376 nan 8.250 nan 0.000 0.523 106 S N 0.054 115.748 115.700 -0.010 0.000 2.572 106 S HA 0.267 4.738 4.470 0.001 0.000 0.279 106 S C 1.125 175.719 174.600 -0.010 0.000 1.341 106 S CA 0.127 58.322 58.200 -0.008 0.000 1.043 106 S CB 0.902 64.098 63.200 -0.007 0.000 0.887 106 S HN 0.452 nan 8.310 nan 0.000 0.516 107 G N 1.761 110.557 108.800 -0.007 0.000 2.249 107 G HA2 -0.226 3.734 3.960 0.001 0.000 0.273 107 G HA3 -0.226 3.734 3.960 0.001 0.000 0.273 107 G C -0.073 174.820 174.900 -0.012 0.000 1.036 107 G CA 0.234 45.329 45.100 -0.008 0.000 0.824 107 G HN 0.838 nan 8.290 nan 0.000 0.504 108 L N 1.278 122.494 121.223 -0.012 0.000 2.453 108 L HA 0.369 4.709 4.340 0.001 0.000 0.272 108 L C 1.616 178.480 176.870 -0.011 0.000 1.182 108 L CA 0.277 55.107 54.840 -0.017 0.000 0.858 108 L CB 0.815 42.864 42.059 -0.016 0.000 1.120 108 L HN 0.524 nan 8.230 nan 0.000 0.474 109 S N 0.503 116.190 115.700 -0.023 0.000 2.617 109 S HA -0.001 4.469 4.470 0.001 0.000 0.259 109 S C 0.698 175.300 174.600 0.004 0.000 1.301 109 S CA -0.343 57.847 58.200 -0.015 0.000 0.984 109 S CB 1.151 64.326 63.200 -0.043 0.000 0.954 109 S HN 0.733 nan 8.310 nan 0.000 0.572 110 D N 0.833 121.258 120.400 0.041 0.000 2.178 110 D HA -0.033 4.608 4.640 0.001 0.000 0.201 110 D C 2.027 178.364 176.300 0.061 0.000 0.980 110 D CA 1.552 55.618 54.000 0.112 0.000 0.842 110 D CB -0.500 40.408 40.800 0.180 0.000 0.948 110 D HN 0.679 nan 8.370 nan 0.000 0.472 111 A N 0.372 123.074 122.820 -0.196 0.000 1.933 111 A HA 0.014 4.334 4.320 0.001 0.000 0.218 111 A C 2.337 179.758 177.584 -0.272 0.000 1.175 111 A CA 1.996 53.623 52.037 -0.684 0.000 0.628 111 A CB -0.952 17.543 19.000 -0.841 0.000 0.814 111 A HN 0.311 nan 8.150 nan 0.000 0.444 112 A N -0.738 121.998 122.820 -0.141 0.000 1.969 112 A HA 0.103 4.424 4.320 0.001 0.000 0.218 112 A C 2.057 179.630 177.584 -0.019 0.000 1.169 112 A CA 1.401 53.392 52.037 -0.075 0.000 0.635 112 A CB -0.366 18.597 19.000 -0.062 0.000 0.810 112 A HN 0.462 nan 8.150 nan 0.000 0.445 113 L N -3.092 118.146 121.223 0.026 0.000 2.463 113 L HA 0.112 4.453 4.340 0.001 0.000 0.219 113 L C 1.047 177.977 176.870 0.101 0.000 1.088 113 L CA -0.507 54.363 54.840 0.050 0.000 0.849 113 L CB -0.106 41.987 42.059 0.056 0.000 1.012 113 L HN 0.618 nan 8.230 nan 0.000 0.468 114 W N 3.431 124.730 121.300 -0.001 0.000 2.190 114 W HA 0.235 4.896 4.660 0.001 0.000 0.330 114 W C 0.339 176.881 176.519 0.038 0.000 1.299 114 W CA -0.173 57.204 57.345 0.053 0.000 1.215 114 W CB 0.457 30.018 29.460 0.168 0.000 1.147 114 W HN 0.066 nan 8.180 nan 0.000 0.563 115 E N 4.166 123.771 120.200 -0.991 0.000 2.390 115 E HA 0.820 5.170 4.350 0.001 0.000 0.277 115 E C -1.814 174.006 176.600 -1.301 0.000 0.939 115 E CA -1.332 54.431 56.400 -1.062 0.000 0.769 115 E CB 1.587 31.015 29.700 -0.454 0.000 1.251 115 E HN 0.576 nan 8.360 nan 0.000 0.450 116 A N 0.751 122.989 122.820 -0.971 0.000 2.574 116 A HA 0.563 4.884 4.320 0.001 0.000 0.297 116 A C -0.222 177.205 177.584 -0.261 0.000 1.062 116 A CA -0.319 51.413 52.037 -0.508 0.000 0.686 116 A CB 1.785 20.579 19.000 -0.344 0.000 1.285 116 A HN 0.651 nan 8.150 nan 0.000 0.403 117 S N 0.081 115.693 115.700 -0.146 0.000 2.514 117 S HA 0.186 4.656 4.470 0.001 0.000 0.223 117 S C 0.467 175.045 174.600 -0.037 0.000 1.046 117 S CA 0.220 58.371 58.200 -0.083 0.000 0.914 117 S CB -0.003 63.153 63.200 -0.072 0.000 0.807 117 S HN 0.691 nan 8.310 nan 0.000 0.497 118 E N 2.657 122.843 120.200 -0.023 0.000 2.259 118 E HA 0.291 4.641 4.350 0.001 0.000 0.281 118 E C 0.843 177.461 176.600 0.030 0.000 1.037 118 E CA -0.209 56.193 56.400 0.004 0.000 0.854 118 E CB 0.995 30.700 29.700 0.009 0.000 1.051 118 E HN 0.209 nan 8.360 nan 0.000 0.409 119 K N 2.323 122.740 120.400 0.028 0.000 2.063 119 K HA -0.200 4.120 4.320 0.001 0.000 0.208 119 K C 1.646 178.278 176.600 0.054 0.000 1.048 119 K CA 1.686 57.998 56.287 0.042 0.000 0.928 119 K CB -0.082 32.433 32.500 0.025 0.000 0.713 119 K HN 0.596 nan 8.250 nan 0.000 0.442 120 S N 0.248 115.973 115.700 0.042 0.000 2.383 120 S HA -0.160 4.311 4.470 0.001 0.000 0.229 120 S C 2.154 176.795 174.600 0.067 0.000 1.030 120 S CA 1.100 59.326 58.200 0.043 0.000 1.002 120 S CB -0.414 62.804 63.200 0.030 0.000 0.829 120 S HN 0.405 nan 8.310 nan 0.000 0.467 121 A N 1.818 124.692 122.820 0.090 0.000 1.968 121 A HA 0.183 4.503 4.320 0.001 0.000 0.217 121 A C 2.323 180.057 177.584 0.249 0.000 1.169 121 A CA 1.384 53.511 52.037 0.150 0.000 0.638 121 A CB -0.703 18.379 19.000 0.138 0.000 0.812 121 A HN 0.597 nan 8.150 nan 0.000 0.446 122 M N -0.486 119.259 119.600 0.241 0.000 2.117 122 M HA -0.082 4.399 4.480 0.001 0.000 0.262 122 M C 2.040 178.418 176.300 0.130 0.000 1.065 122 M CA 1.335 56.815 55.300 0.300 0.000 1.114 122 M CB -0.555 32.190 32.600 0.242 0.000 1.361 122 M HN 0.337 nan 8.290 nan 0.000 0.408 123 L N -0.047 121.224 121.223 0.079 0.000 2.046 123 L HA -0.169 4.172 4.340 0.001 0.000 0.208 123 L C 2.883 179.753 176.870 0.001 0.000 1.077 123 L CA 1.196 56.052 54.840 0.027 0.000 0.747 123 L CB -0.964 41.108 42.059 0.023 0.000 0.896 123 L HN 0.316 nan 8.230 nan 0.000 0.432 124 A N 0.052 122.884 122.820 0.021 0.000 1.930 124 A HA -0.235 4.086 4.320 0.001 0.000 0.217 124 A C 2.307 179.856 177.584 -0.059 0.000 1.175 124 A CA 1.883 53.919 52.037 -0.003 0.000 0.627 124 A CB -0.349 18.668 19.000 0.029 0.000 0.815 124 A HN 0.219 nan 8.150 nan 0.000 0.443 125 K N 0.280 120.631 120.400 -0.082 0.000 2.097 125 K HA 0.098 4.418 4.320 0.001 0.000 0.205 125 K C 1.937 178.321 176.600 -0.360 0.000 1.050 125 K CA 1.409 57.517 56.287 -0.298 0.000 0.938 125 K CB -0.579 31.571 32.500 -0.583 0.000 0.718 125 K HN 0.303 nan 8.250 nan 0.000 0.442 126 A N 0.219 122.894 122.820 -0.241 0.000 1.940 126 A HA -0.094 4.226 4.320 0.001 0.000 0.219 126 A C 2.363 179.829 177.584 -0.196 0.000 1.176 126 A CA 1.947 53.855 52.037 -0.214 0.000 0.631 126 A CB -1.391 17.547 19.000 -0.104 0.000 0.814 126 A HN 0.474 nan 8.150 nan 0.000 0.446 127 G N -0.849 107.857 108.800 -0.155 0.000 2.470 127 G HA2 -0.130 3.830 3.960 0.001 0.000 0.220 127 G HA3 -0.130 3.830 3.960 0.001 0.000 0.220 127 G C 1.438 176.246 174.900 -0.153 0.000 1.121 127 G CA 1.792 46.816 45.100 -0.127 0.000 0.766 127 G HN 0.769 nan 8.290 nan 0.000 0.553 128 T N -2.062 112.366 114.554 -0.210 0.000 3.069 128 T HA 0.252 4.603 4.350 0.001 0.000 0.252 128 T C 1.350 175.887 174.700 -0.271 0.000 1.053 128 T CA 0.691 62.663 62.100 -0.214 0.000 0.964 128 T CB 0.678 69.419 68.868 -0.210 0.000 1.005 128 T HN 0.554 nan 8.240 nan 0.000 0.532 129 V N -2.575 117.137 119.914 -0.335 0.000 3.252 129 V HA 0.698 4.818 4.120 0.001 0.000 0.320 129 V C 0.866 176.882 176.094 -0.130 0.000 1.459 129 V CA -0.286 61.779 62.300 -0.391 0.000 1.095 129 V CB -0.219 30.979 31.823 -1.041 0.000 0.997 129 V HN 0.367 nan 8.190 nan 0.000 0.469 130 G N 0.488 109.229 108.800 -0.098 0.000 2.509 130 G HA2 0.383 4.344 3.960 0.001 0.000 0.269 130 G HA3 0.383 4.344 3.960 0.001 0.000 0.269 130 G C 0.881 175.747 174.900 -0.057 0.000 1.416 130 G CA 0.350 45.414 45.100 -0.060 0.000 1.052 130 G HN 0.077 nan 8.290 nan 0.000 0.542 131 V N 0.484 120.177 119.914 -0.369 0.000 2.282 131 V HA -0.182 3.938 4.120 0.001 0.000 0.249 131 V C 2.761 178.686 176.094 -0.282 0.000 1.057 131 V CA 1.655 63.571 62.300 -0.641 0.000 1.032 131 V CB -0.422 30.888 31.823 -0.855 0.000 0.645 131 V HN 0.447 nan 8.190 nan 0.000 0.447 132 M N -0.420 118.987 119.600 -0.322 0.000 2.659 132 M HA 0.138 4.619 4.480 0.001 0.000 0.243 132 M C 2.125 178.344 176.300 -0.135 0.000 1.111 132 M CA 0.950 56.079 55.300 -0.285 0.000 1.070 132 M CB -1.528 30.849 32.600 -0.372 0.000 1.525 132 M HN 0.393 nan 8.290 nan 0.000 0.517 133 A N -0.037 122.742 122.820 -0.068 0.000 2.070 133 A HA -0.040 4.281 4.320 0.001 0.000 0.220 133 A C 1.173 178.762 177.584 0.007 0.000 1.159 133 A CA 1.050 53.068 52.037 -0.031 0.000 0.656 133 A CB -0.651 18.339 19.000 -0.016 0.000 0.800 133 A HN 0.387 nan 8.150 nan 0.000 0.453 134 T N 0.883 115.469 114.554 0.053 0.000 2.729 134 T HA 0.312 4.663 4.350 0.001 0.000 0.296 134 T C 1.584 176.296 174.700 0.019 0.000 0.928 134 T CA 0.423 62.558 62.100 0.058 0.000 1.045 134 T CB 1.262 70.205 68.868 0.126 0.000 0.902 134 T HN 0.560 nan 8.240 nan 0.000 0.500 135 T N 0.635 115.191 114.554 0.004 0.000 2.812 135 T HA -0.063 4.287 4.350 0.001 0.000 0.264 135 T C 0.680 175.381 174.700 0.001 0.000 1.042 135 T CA 0.398 62.492 62.100 -0.009 0.000 1.140 135 T CB -0.333 68.528 68.868 -0.012 0.000 0.870 135 T HN 0.564 nan 8.240 nan 0.000 0.445 136 D N 1.286 121.695 120.400 0.014 0.000 2.351 136 D HA 0.137 4.777 4.640 0.001 0.000 0.251 136 D C 0.513 176.835 176.300 0.037 0.000 1.137 136 D CA -0.302 53.710 54.000 0.020 0.000 0.879 136 D CB 0.793 41.604 40.800 0.019 0.000 1.181 136 D HN -0.010 nan 8.370 nan 0.000 0.448 137 D N 2.718 123.141 120.400 0.038 0.000 2.144 137 D HA -0.135 4.506 4.640 0.001 0.000 0.199 137 D C 0.978 177.326 176.300 0.081 0.000 0.984 137 D CA 0.986 55.021 54.000 0.058 0.000 0.834 137 D CB 0.097 40.927 40.800 0.050 0.000 0.955 137 D HN 0.514 nan 8.370 nan 0.000 0.465 138 D N -0.077 120.360 120.400 0.062 0.000 2.137 138 D HA -0.052 4.588 4.640 0.001 0.000 0.202 138 D C 2.330 178.668 176.300 0.063 0.000 0.970 138 D CA 0.295 54.333 54.000 0.063 0.000 0.837 138 D CB -0.177 40.650 40.800 0.044 0.000 0.981 138 D HN 0.057 nan 8.370 nan 0.000 0.475 139 V N 1.241 121.184 119.914 0.049 0.000 2.343 139 V HA -0.232 3.888 4.120 0.001 0.000 0.247 139 V C 2.580 178.713 176.094 0.065 0.000 1.051 139 V CA 1.587 63.908 62.300 0.035 0.000 1.036 139 V CB -0.452 31.382 31.823 0.018 0.000 0.654 139 V HN 0.107 nan 8.190 nan 0.000 0.451 140 R N 0.077 120.648 120.500 0.118 0.000 2.073 140 R HA -0.194 4.147 4.340 0.001 0.000 0.234 140 R C 2.664 179.156 176.300 0.321 0.000 1.134 140 R CA 1.950 58.192 56.100 0.237 0.000 0.952 140 R CB -0.532 29.890 30.300 0.204 0.000 0.850 140 R HN 0.478 nan 8.270 nan 0.000 0.433 141 S N 0.147 115.994 115.700 0.245 0.000 2.359 141 S HA -0.125 4.345 4.470 0.001 0.000 0.224 141 S C 1.954 176.656 174.600 0.170 0.000 1.035 141 S CA 1.431 59.784 58.200 0.255 0.000 1.018 141 S CB -0.217 63.097 63.200 0.190 0.000 0.876 141 S HN 0.380 nan 8.310 nan 0.000 0.448 142 L N 0.628 121.904 121.223 0.088 0.000 2.072 142 L HA 0.020 4.360 4.340 0.001 0.000 0.205 142 L C 2.945 179.766 176.870 -0.083 0.000 1.079 142 L CA 1.171 56.021 54.840 0.018 0.000 0.752 142 L CB -0.422 41.643 42.059 0.010 0.000 0.906 142 L HN 0.241 nan 8.230 nan 0.000 0.436 143 R N -0.884 119.538 120.500 -0.130 0.000 2.091 143 R HA -0.207 4.134 4.340 0.001 0.000 0.238 143 R C 2.093 178.021 176.300 -0.620 0.000 1.136 143 R CA 2.139 58.020 56.100 -0.365 0.000 0.959 143 R CB -0.369 29.677 30.300 -0.424 0.000 0.856 143 R HN 0.367 nan 8.270 nan 0.000 0.437 144 W N 0.017 121.141 121.300 -0.293 0.000 2.523 144 W HA -0.002 4.658 4.660 0.001 0.000 0.278 144 W C 1.915 177.815 176.519 -1.032 0.000 1.236 144 W CA -0.188 56.736 57.345 -0.702 0.000 1.306 144 W CB -0.366 28.836 29.460 -0.431 0.000 1.101 144 W HN 0.070 nan 8.180 nan 0.000 0.577 145 L N 0.770 121.793 121.223 -0.333 0.000 2.012 145 L HA -0.202 4.139 4.340 0.001 0.000 0.210 145 L C 1.949 178.690 176.870 -0.215 0.000 1.073 145 L CA 2.004 56.724 54.840 -0.201 0.000 0.748 145 L CB -0.933 41.169 42.059 0.071 0.000 0.891 145 L HN 0.028 nan 8.230 nan 0.000 0.431 146 I N -1.099 119.337 120.570 -0.223 0.000 2.179 146 I HA -0.291 3.879 4.170 0.001 0.000 0.242 146 I C 2.247 178.217 176.117 -0.245 0.000 1.088 146 I CA 1.682 62.873 61.300 -0.182 0.000 1.357 146 I CB -0.719 37.176 38.000 -0.175 0.000 1.051 146 I HN 0.278 nan 8.210 nan 0.000 0.409 147 T N 1.062 115.357 114.554 -0.431 0.000 2.720 147 T HA -0.162 4.189 4.350 0.001 0.000 0.268 147 T C 1.626 176.230 174.700 -0.158 0.000 1.037 147 T CA 1.556 63.418 62.100 -0.397 0.000 1.144 147 T CB -0.318 68.156 68.868 -0.656 0.000 0.864 147 T HN 0.105 nan 8.240 nan 0.000 0.444 148 F N 1.532 121.405 119.950 -0.128 0.000 2.146 148 F HA 0.150 4.678 4.527 0.001 0.000 0.298 148 F C 2.712 178.440 175.800 -0.120 0.000 1.096 148 F CA 0.240 58.152 58.000 -0.146 0.000 1.275 148 F CB -1.567 37.243 39.000 -0.317 0.000 1.008 148 F HN 0.220 nan 8.300 nan 0.000 0.480 149 G N 0.406 109.235 108.800 0.049 0.000 2.440 149 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 149 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 149 G C 1.837 176.737 174.900 0.000 0.000 1.154 149 G CA 0.797 45.910 45.100 0.022 0.000 0.767 149 G HN 0.342 nan 8.290 nan 0.000 0.552 150 L N -0.092 121.120 121.223 -0.019 0.000 2.131 150 L HA -0.049 4.291 4.340 0.001 0.000 0.210 150 L C 2.952 179.786 176.870 -0.060 0.000 1.092 150 L CA 1.132 55.952 54.840 -0.033 0.000 0.759 150 L CB -0.277 41.732 42.059 -0.082 0.000 0.903 150 L HN 0.189 nan 8.230 nan 0.000 0.435 151 K N 0.075 120.447 120.400 -0.046 0.000 2.032 151 K HA -0.135 4.185 4.320 0.001 0.000 0.209 151 K C 2.175 178.635 176.600 -0.233 0.000 1.048 151 K CA 1.429 57.663 56.287 -0.089 0.000 0.927 151 K CB -0.549 31.945 32.500 -0.010 0.000 0.712 151 K HN 0.401 nan 8.250 nan 0.000 0.441 152 G N 1.522 110.188 108.800 -0.223 0.000 2.418 152 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 152 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 152 G C 1.458 176.060 174.900 -0.496 0.000 1.158 152 G CA 0.778 45.635 45.100 -0.406 0.000 0.771 152 G HN 0.193 nan 8.290 nan 0.000 0.545 153 M N 0.824 120.295 119.600 -0.215 0.000 2.108 153 M HA -0.033 4.447 4.480 0.001 0.000 0.261 153 M C 2.779 179.018 176.300 -0.101 0.000 1.066 153 M CA 1.834 57.090 55.300 -0.074 0.000 1.107 153 M CB -0.132 32.498 32.600 0.051 0.000 1.356 153 M HN 0.291 nan 8.290 nan 0.000 0.406 154 A N 0.121 122.851 122.820 -0.151 0.000 1.933 154 A HA -0.041 4.279 4.320 0.001 0.000 0.218 154 A C 2.281 179.707 177.584 -0.264 0.000 1.175 154 A CA 1.804 53.760 52.037 -0.135 0.000 0.628 154 A CB -1.078 17.859 19.000 -0.106 0.000 0.814 154 A HN 0.663 nan 8.150 nan 0.000 0.444 155 A N -0.952 121.503 122.820 -0.608 0.000 1.877 155 A HA -0.088 4.232 4.320 0.001 0.000 0.216 155 A C 2.098 179.408 177.584 -0.457 0.000 1.186 155 A CA 1.696 53.079 52.037 -1.090 0.000 0.620 155 A CB -0.834 17.182 19.000 -1.640 0.000 0.822 155 A HN 0.545 nan 8.150 nan 0.000 0.443 156 Y N -0.190 119.971 120.300 -0.232 0.000 2.200 156 Y HA -0.028 4.523 4.550 0.001 0.000 0.290 156 Y C 2.985 178.911 175.900 0.042 0.000 1.137 156 Y CA 0.185 58.271 58.100 -0.024 0.000 1.163 156 Y CB -1.300 37.167 38.460 0.011 0.000 0.988 156 Y HN 0.328 nan 8.280 nan 0.000 0.518 157 A N 0.046 122.967 122.820 0.168 0.000 1.940 157 A HA -0.253 4.067 4.320 0.001 0.000 0.219 157 A C 2.339 180.020 177.584 0.162 0.000 1.176 157 A CA 2.047 54.177 52.037 0.155 0.000 0.631 157 A CB -0.660 18.414 19.000 0.124 0.000 0.814 157 A HN 0.423 nan 8.150 nan 0.000 0.446 158 K N -1.315 119.152 120.400 0.112 0.000 2.057 158 K HA -0.152 4.168 4.320 0.001 0.000 0.206 158 K C 1.856 178.596 176.600 0.233 0.000 1.050 158 K CA 1.424 57.799 56.287 0.146 0.000 0.935 158 K CB -0.288 32.306 32.500 0.157 0.000 0.715 158 K HN 0.764 nan 8.250 nan 0.000 0.439 159 H N -0.834 118.379 119.070 0.239 0.000 2.353 159 H HA -0.101 4.456 4.556 0.001 0.000 0.300 159 H C 1.977 177.414 175.328 0.181 0.000 1.090 159 H CA 0.862 57.047 56.048 0.227 0.000 1.327 159 H CB 0.106 30.020 29.762 0.253 0.000 1.383 159 H HN 0.339 nan 8.280 nan 0.000 0.508 160 A N 0.745 123.745 122.820 0.300 0.000 1.902 160 A HA -0.234 4.086 4.320 0.001 0.000 0.217 160 A C 1.992 179.696 177.584 0.200 0.000 1.181 160 A CA 1.974 54.134 52.037 0.205 0.000 0.623 160 A CB -0.423 18.677 19.000 0.166 0.000 0.818 160 A HN 0.427 nan 8.150 nan 0.000 0.443 161 D N -0.466 120.069 120.400 0.224 0.000 2.117 161 D HA -0.117 4.524 4.640 0.001 0.000 0.197 161 D C 1.762 178.180 176.300 0.198 0.000 0.987 161 D CA 1.416 55.556 54.000 0.233 0.000 0.829 161 D CB -0.150 40.785 40.800 0.224 0.000 0.961 161 D HN 0.127 nan 8.370 nan 0.000 0.460 162 V N 0.342 120.376 119.914 0.200 0.000 2.469 162 V HA -0.193 3.927 4.120 0.001 0.000 0.251 162 V C 2.187 178.374 176.094 0.155 0.000 1.064 162 V CA 1.209 63.617 62.300 0.181 0.000 1.066 162 V CB -0.376 31.587 31.823 0.233 0.000 0.667 162 V HN 0.327 nan 8.190 nan 0.000 0.461 163 L N -0.011 121.303 121.223 0.152 0.000 2.629 163 L HA 0.345 4.686 4.340 0.001 0.000 0.230 163 L C 1.566 178.484 176.870 0.079 0.000 1.151 163 L CA 0.762 55.662 54.840 0.099 0.000 0.924 163 L CB -0.163 41.943 42.059 0.078 0.000 1.137 163 L HN 0.509 nan 8.230 nan 0.000 0.457 164 G N 0.161 109.033 108.800 0.120 0.000 2.141 164 G HA2 -0.239 3.722 3.960 0.001 0.000 0.231 164 G HA3 -0.239 3.722 3.960 0.001 0.000 0.231 164 G C 0.149 175.129 174.900 0.134 0.000 0.984 164 G CA -0.335 44.840 45.100 0.125 0.000 0.660 164 G HN 0.331 nan 8.290 nan 0.000 0.525 165 K N 0.586 121.073 120.400 0.144 0.000 2.358 165 K HA 0.593 4.914 4.320 0.001 0.000 0.260 165 K C -0.324 176.382 176.600 0.177 0.000 0.956 165 K CA -0.622 55.722 56.287 0.094 0.000 0.834 165 K CB 1.197 33.732 32.500 0.059 0.000 1.102 165 K HN 0.748 nan 8.250 nan 0.000 0.431 166 H N -0.504 118.559 119.070 -0.012 0.000 2.996 166 H HA 0.421 4.977 4.556 0.001 0.000 0.368 166 H C -1.415 173.883 175.328 -0.050 0.000 1.185 166 H CA -1.057 54.974 56.048 -0.029 0.000 1.160 166 H CB 1.625 31.310 29.762 -0.129 0.000 1.820 166 H HN 0.325 nan 8.280 nan 0.000 0.547 167 E N 1.519 121.745 120.200 0.044 0.000 2.191 167 E HA 0.168 4.519 4.350 0.001 0.000 0.263 167 E C -0.033 176.614 176.600 0.078 0.000 0.881 167 E CA -0.966 55.441 56.400 0.011 0.000 0.757 167 E CB 1.389 31.121 29.700 0.053 0.000 1.147 167 E HN 0.587 nan 8.360 nan 0.000 0.414 168 N N 1.128 119.858 118.700 0.050 0.000 2.094 168 N HA -0.188 4.553 4.740 0.001 0.000 0.191 168 N C 1.793 177.358 175.510 0.091 0.000 1.023 168 N CA 1.783 54.880 53.050 0.078 0.000 0.857 168 N CB -0.179 38.337 38.487 0.050 0.000 1.013 168 N HN 0.475 nan 8.380 nan 0.000 0.426 169 S N 0.369 116.135 115.700 0.109 0.000 2.382 169 S HA -0.096 4.374 4.470 0.001 0.000 0.228 169 S C 1.970 176.674 174.600 0.172 0.000 1.027 169 S CA 0.653 58.949 58.200 0.161 0.000 0.991 169 S CB -0.527 62.808 63.200 0.225 0.000 0.823 169 S HN 0.224 nan 8.310 nan 0.000 0.469 170 L N 2.423 123.763 121.223 0.195 0.000 2.023 170 L HA 0.035 4.375 4.340 0.001 0.000 0.205 170 L C 1.898 178.832 176.870 0.105 0.000 1.073 170 L CA 1.981 56.938 54.840 0.195 0.000 0.745 170 L CB -0.936 41.258 42.059 0.224 0.000 0.900 170 L HN 0.171 nan 8.230 nan 0.000 0.435 171 D N -0.088 120.378 120.400 0.110 0.000 2.117 171 D HA -0.177 4.463 4.640 0.001 0.000 0.197 171 D C 2.071 178.376 176.300 0.010 0.000 0.987 171 D CA 1.488 55.534 54.000 0.077 0.000 0.829 171 D CB 0.039 40.919 40.800 0.134 0.000 0.961 171 D HN 0.506 nan 8.370 nan 0.000 0.460 172 A N 0.984 123.811 122.820 0.012 0.000 1.902 172 A HA -0.185 4.135 4.320 0.001 0.000 0.217 172 A C 2.058 179.572 177.584 -0.117 0.000 1.181 172 A CA 1.013 53.030 52.037 -0.033 0.000 0.623 172 A CB -0.982 18.019 19.000 0.002 0.000 0.818 172 A HN 0.240 nan 8.150 nan 0.000 0.443 173 F N -0.049 119.716 119.950 -0.308 0.000 2.102 173 F HA -0.192 4.336 4.527 0.001 0.000 0.298 173 F C 2.298 177.894 175.800 -0.340 0.000 1.105 173 F CA 2.162 59.859 58.000 -0.506 0.000 1.239 173 F CB -0.321 37.915 39.000 -1.273 0.000 0.991 173 F HN 0.241 nan 8.300 nan 0.000 0.474 174 M N 0.050 119.455 119.600 -0.325 0.000 2.082 174 M HA -0.325 4.155 4.480 0.001 0.000 0.258 174 M C 2.192 178.278 176.300 -0.357 0.000 1.069 174 M CA 2.170 57.289 55.300 -0.302 0.000 1.102 174 M CB -0.298 32.252 32.600 -0.083 0.000 1.336 174 M HN 0.320 nan 8.290 nan 0.000 0.404 175 Q N -0.811 118.831 119.800 -0.263 0.000 2.172 175 Q HA -0.195 4.146 4.340 0.001 0.000 0.200 175 Q C 1.882 177.725 176.000 -0.262 0.000 0.964 175 Q CA 1.536 57.211 55.803 -0.214 0.000 0.855 175 Q CB -0.114 28.545 28.738 -0.132 0.000 0.918 175 Q HN 0.607 nan 8.270 nan 0.000 0.444 176 E N 0.588 120.591 120.200 -0.328 0.000 2.072 176 E HA -0.181 4.169 4.350 0.001 0.000 0.191 176 E C 1.883 178.243 176.600 -0.400 0.000 0.985 176 E CA 0.926 57.136 56.400 -0.315 0.000 0.801 176 E CB -0.034 29.499 29.700 -0.279 0.000 0.750 176 E HN 0.325 nan 8.360 nan 0.000 0.452 177 A N 1.257 123.681 122.820 -0.661 0.000 1.902 177 A HA -0.144 4.176 4.320 0.001 0.000 0.217 177 A C 2.227 179.582 177.584 -0.382 0.000 1.181 177 A CA 1.103 52.780 52.037 -0.599 0.000 0.623 177 A CB -0.711 17.741 19.000 -0.914 0.000 0.818 177 A HN 0.315 nan 8.150 nan 0.000 0.443 178 L N -0.707 120.305 121.223 -0.351 0.000 2.012 178 L HA -0.264 4.077 4.340 0.001 0.000 0.210 178 L C 3.132 179.859 176.870 -0.238 0.000 1.073 178 L CA 1.282 55.959 54.840 -0.272 0.000 0.748 178 L CB -0.579 41.347 42.059 -0.222 0.000 0.891 178 L HN 0.455 nan 8.230 nan 0.000 0.431 179 A N -0.105 122.584 122.820 -0.218 0.000 1.908 179 A HA -0.237 4.084 4.320 0.001 0.000 0.218 179 A C 2.298 179.783 177.584 -0.166 0.000 1.181 179 A CA 1.798 53.730 52.037 -0.175 0.000 0.627 179 A CB -0.391 18.518 19.000 -0.153 0.000 0.818 179 A HN 0.339 nan 8.150 nan 0.000 0.445 180 K N -0.501 119.790 120.400 -0.183 0.000 2.211 180 K HA -0.097 4.223 4.320 0.001 0.000 0.203 180 K C 1.957 178.461 176.600 -0.161 0.000 1.050 180 K CA 1.557 57.753 56.287 -0.153 0.000 0.945 180 K CB -0.317 32.094 32.500 -0.147 0.000 0.732 180 K HN 0.744 nan 8.250 nan 0.000 0.451 181 T N -1.110 113.318 114.554 -0.211 0.000 3.113 181 T HA 0.002 4.352 4.350 0.001 0.000 0.263 181 T C 1.456 176.030 174.700 -0.209 0.000 1.143 181 T CA 0.617 62.567 62.100 -0.250 0.000 1.090 181 T CB -0.063 68.578 68.868 -0.379 0.000 0.922 181 T HN 0.098 nan 8.240 nan 0.000 0.521 182 L N 0.303 121.431 121.223 -0.158 0.000 2.640 182 L HA 0.337 4.677 4.340 0.001 0.000 0.230 182 L C 0.595 177.420 176.870 -0.076 0.000 1.123 182 L CA -0.221 54.556 54.840 -0.104 0.000 0.900 182 L CB 0.166 42.166 42.059 -0.099 0.000 1.146 182 L HN 0.171 nan 8.230 nan 0.000 0.484 183 D N 0.747 121.098 120.400 -0.083 0.000 2.365 183 D HA 0.013 4.654 4.640 0.001 0.000 0.237 183 D C 0.497 176.769 176.300 -0.048 0.000 1.190 183 D CA -0.006 53.957 54.000 -0.061 0.000 0.867 183 D CB 1.129 41.889 40.800 -0.065 0.000 1.050 183 D HN -0.003 nan 8.370 nan 0.000 0.491 184 D N 1.364 121.744 120.400 -0.033 0.000 2.350 184 D HA -0.131 4.509 4.640 0.001 0.000 0.216 184 D C 1.744 178.032 176.300 -0.020 0.000 0.968 184 D CA 0.577 54.563 54.000 -0.024 0.000 0.894 184 D CB 0.169 40.960 40.800 -0.015 0.000 0.909 184 D HN 0.440 nan 8.370 nan 0.000 0.520 185 S N -0.531 115.156 115.700 -0.023 0.000 2.527 185 S HA 0.035 4.505 4.470 0.001 0.000 0.222 185 S C 0.972 175.562 174.600 -0.018 0.000 0.985 185 S CA -0.266 57.923 58.200 -0.018 0.000 0.921 185 S CB -0.158 63.032 63.200 -0.017 0.000 0.772 185 S HN 0.103 nan 8.310 nan 0.000 0.529 186 L N 3.499 124.707 121.223 -0.024 0.000 2.367 186 L HA 0.300 4.641 4.340 0.001 0.000 0.275 186 L C 0.919 177.780 176.870 -0.015 0.000 1.129 186 L CA -0.560 54.267 54.840 -0.021 0.000 0.839 186 L CB 0.834 42.874 42.059 -0.032 0.000 1.133 186 L HN 0.368 nan 8.230 nan 0.000 0.453 187 S N 2.022 117.717 115.700 -0.008 0.000 2.645 187 S HA 0.198 4.669 4.470 0.001 0.000 0.266 187 S C 1.150 175.750 174.600 -0.001 0.000 1.258 187 S CA -0.937 57.261 58.200 -0.003 0.000 0.990 187 S CB 1.557 64.757 63.200 -0.000 0.000 0.967 187 S HN 0.327 nan 8.310 nan 0.000 0.556 188 V N 1.539 121.455 119.914 0.004 0.000 2.332 188 V HA -0.182 3.938 4.120 0.001 0.000 0.248 188 V C 2.978 179.079 176.094 0.012 0.000 1.055 188 V CA 2.385 64.691 62.300 0.010 0.000 1.038 188 V CB -1.802 30.030 31.823 0.014 0.000 0.651 188 V HN 1.004 nan 8.190 nan 0.000 0.450 189 A N -0.250 122.576 122.820 0.010 0.000 1.902 189 A HA -0.263 4.057 4.320 0.001 0.000 0.217 189 A C 2.015 179.609 177.584 0.015 0.000 1.181 189 A CA 2.020 54.065 52.037 0.012 0.000 0.623 189 A CB -0.631 18.374 19.000 0.008 0.000 0.818 189 A HN 0.541 nan 8.150 nan 0.000 0.443 190 D N 0.033 120.439 120.400 0.010 0.000 2.123 190 D HA -0.129 4.511 4.640 0.001 0.000 0.196 190 D C 1.896 178.204 176.300 0.012 0.000 0.992 190 D CA 1.196 55.202 54.000 0.010 0.000 0.833 190 D CB -0.310 40.490 40.800 0.000 0.000 0.954 190 D HN 0.469 nan 8.370 nan 0.000 0.455 191 L N 0.178 121.404 121.223 0.005 0.000 2.156 191 L HA -0.089 4.252 4.340 0.001 0.000 0.208 191 L C 2.498 179.380 176.870 0.020 0.000 1.095 191 L CA 0.267 55.107 54.840 0.000 0.000 0.770 191 L CB -0.105 41.946 42.059 -0.014 0.000 0.914 191 L HN -0.084 nan 8.230 nan 0.000 0.439 192 V N 0.116 120.049 119.914 0.031 0.000 2.343 192 V HA -0.279 3.841 4.120 0.001 0.000 0.247 192 V C 2.760 178.891 176.094 0.062 0.000 1.051 192 V CA 1.800 64.130 62.300 0.050 0.000 1.036 192 V CB -0.820 31.034 31.823 0.052 0.000 0.654 192 V HN 0.475 nan 8.190 nan 0.000 0.451 193 A N -0.176 122.676 122.820 0.053 0.000 1.902 193 A HA -0.205 4.116 4.320 0.001 0.000 0.217 193 A C 2.154 179.785 177.584 0.079 0.000 1.181 193 A CA 2.073 54.147 52.037 0.062 0.000 0.623 193 A CB -0.582 18.448 19.000 0.050 0.000 0.818 193 A HN 0.451 nan 8.150 nan 0.000 0.443 194 L N -0.232 121.035 121.223 0.074 0.000 2.141 194 L HA -0.082 4.259 4.340 0.001 0.000 0.209 194 L C 2.385 179.327 176.870 0.120 0.000 1.094 194 L CA 2.606 57.510 54.840 0.108 0.000 0.763 194 L CB -1.003 41.089 42.059 0.054 0.000 0.908 194 L HN 0.367 nan 8.230 nan 0.000 0.437 195 T N -0.244 114.354 114.554 0.073 0.000 2.746 195 T HA -0.167 4.183 4.350 0.001 0.000 0.267 195 T C 1.916 176.652 174.700 0.060 0.000 1.039 195 T CA 1.900 64.036 62.100 0.059 0.000 1.142 195 T CB -0.277 68.616 68.868 0.042 0.000 0.866 195 T HN 0.311 nan 8.240 nan 0.000 0.444 196 L N 0.510 121.772 121.223 0.065 0.000 2.156 196 L HA -0.002 4.339 4.340 0.001 0.000 0.208 196 L C 2.743 179.634 176.870 0.035 0.000 1.095 196 L CA 1.162 56.029 54.840 0.045 0.000 0.770 196 L CB -0.447 41.662 42.059 0.084 0.000 0.914 196 L HN 0.315 nan 8.230 nan 0.000 0.439 197 E N -0.092 120.153 120.200 0.075 0.000 2.106 197 E HA -0.194 4.157 4.350 0.001 0.000 0.192 197 E C 1.966 178.580 176.600 0.023 0.000 0.984 197 E CA 1.624 58.060 56.400 0.061 0.000 0.806 197 E CB 0.145 29.947 29.700 0.169 0.000 0.750 197 E HN 0.376 nan 8.360 nan 0.000 0.458 198 T N -0.220 114.441 114.554 0.178 0.000 2.720 198 T HA -0.146 4.204 4.350 0.001 0.000 0.268 198 T C 1.688 176.444 174.700 0.094 0.000 1.037 198 T CA 1.217 63.456 62.100 0.231 0.000 1.144 198 T CB -0.598 68.416 68.868 0.244 0.000 0.864 198 T HN 0.407 nan 8.240 nan 0.000 0.444 199 G N 1.309 110.129 108.800 0.033 0.000 2.440 199 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 199 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 199 G C 1.485 176.361 174.900 -0.039 0.000 1.154 199 G CA 1.120 46.214 45.100 -0.010 0.000 0.767 199 G HN 0.473 nan 8.290 nan 0.000 0.552 200 K N -0.495 119.849 120.400 -0.093 0.000 2.026 200 K HA -0.041 4.280 4.320 0.001 0.000 0.208 200 K C 2.122 178.546 176.600 -0.293 0.000 1.048 200 K CA 1.105 57.269 56.287 -0.206 0.000 0.929 200 K CB -0.296 32.028 32.500 -0.293 0.000 0.713 200 K HN 0.316 nan 8.250 nan 0.000 0.439 201 F N 0.418 120.203 119.950 -0.276 0.000 2.407 201 F HA 0.032 4.560 4.527 0.001 0.000 0.299 201 F C 2.250 178.007 175.800 -0.072 0.000 1.097 201 F CA 1.043 58.895 58.000 -0.247 0.000 1.422 201 F CB -0.411 38.279 39.000 -0.516 0.000 1.067 201 F HN 0.204 nan 8.300 nan 0.000 0.539 202 G N -0.065 108.798 108.800 0.105 0.000 2.418 202 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 202 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 202 G C 1.820 176.781 174.900 0.102 0.000 1.158 202 G CA 1.157 46.331 45.100 0.123 0.000 0.771 202 G HN 0.222 nan 8.290 nan 0.000 0.545 203 V N 1.285 121.225 119.914 0.045 0.000 2.287 203 V HA -0.212 3.908 4.120 0.001 0.000 0.248 203 V C 3.130 179.226 176.094 0.003 0.000 1.053 203 V CA 2.284 64.620 62.300 0.060 0.000 1.027 203 V CB -0.730 31.112 31.823 0.032 0.000 0.646 203 V HN 0.369 nan 8.190 nan 0.000 0.447 204 S N 0.323 115.995 115.700 -0.047 0.000 2.370 204 S HA -0.199 4.271 4.470 0.001 0.000 0.226 204 S C 2.219 176.812 174.600 -0.012 0.000 1.033 204 S CA 1.506 59.673 58.200 -0.054 0.000 1.011 204 S CB -0.552 62.603 63.200 -0.075 0.000 0.852 204 S HN 0.670 nan 8.310 nan 0.000 0.457 205 A N 1.524 124.382 122.820 0.064 0.000 1.898 205 A HA -0.011 4.310 4.320 0.001 0.000 0.216 205 A C 2.167 179.763 177.584 0.021 0.000 1.181 205 A CA 1.339 53.437 52.037 0.101 0.000 0.620 205 A CB -0.581 18.534 19.000 0.191 0.000 0.819 205 A HN 0.445 nan 8.150 nan 0.000 0.442 206 M N -0.675 118.903 119.600 -0.037 0.000 2.159 206 M HA -0.148 4.333 4.480 0.001 0.000 0.263 206 M C 2.543 178.501 176.300 -0.571 0.000 1.063 206 M CA 1.383 56.544 55.300 -0.232 0.000 1.110 206 M CB -0.464 32.081 32.600 -0.091 0.000 1.374 206 M HN 0.513 nan 8.290 nan 0.000 0.411 207 A N 0.260 122.658 122.820 -0.703 0.000 1.898 207 A HA -0.160 4.160 4.320 0.001 0.000 0.216 207 A C 2.062 179.433 177.584 -0.355 0.000 1.181 207 A CA 1.275 52.794 52.037 -0.865 0.000 0.620 207 A CB -0.751 17.985 19.000 -0.440 0.000 0.819 207 A HN 0.418 nan 8.150 nan 0.000 0.442 208 L N -0.841 120.274 121.223 -0.179 0.000 2.017 208 L HA -0.107 4.233 4.340 0.001 0.000 0.208 208 L C 2.253 179.106 176.870 -0.029 0.000 1.073 208 L CA 1.885 56.690 54.840 -0.059 0.000 0.745 208 L CB -0.523 41.541 42.059 0.008 0.000 0.894 208 L HN 0.367 nan 8.230 nan 0.000 0.432 209 L N -0.429 120.774 121.223 -0.033 0.000 2.093 209 L HA -0.198 4.142 4.340 0.001 0.000 0.208 209 L C 2.097 178.979 176.870 0.020 0.000 1.085 209 L CA 2.191 57.044 54.840 0.023 0.000 0.755 209 L CB -0.940 41.137 42.059 0.030 0.000 0.904 209 L HN 0.512 nan 8.230 nan 0.000 0.435 210 D N -0.736 119.635 120.400 -0.049 0.000 2.104 210 D HA -0.215 4.425 4.640 0.001 0.000 0.194 210 D C 2.128 178.496 176.300 0.113 0.000 0.994 210 D CA 1.495 55.539 54.000 0.073 0.000 0.830 210 D CB -0.003 40.833 40.800 0.060 0.000 0.959 210 D HN 0.444 nan 8.370 nan 0.000 0.452 211 A N 0.323 123.172 122.820 0.049 0.000 1.933 211 A HA 0.050 4.371 4.320 0.001 0.000 0.218 211 A C 2.343 179.943 177.584 0.027 0.000 1.175 211 A CA 1.985 54.053 52.037 0.053 0.000 0.628 211 A CB -1.014 18.001 19.000 0.025 0.000 0.814 211 A HN 0.358 nan 8.150 nan 0.000 0.444 212 A N 0.220 123.058 122.820 0.030 0.000 1.873 212 A HA -0.173 4.148 4.320 0.001 0.000 0.215 212 A C 1.991 179.580 177.584 0.009 0.000 1.186 212 A CA 1.734 53.783 52.037 0.019 0.000 0.616 212 A CB -0.597 18.436 19.000 0.056 0.000 0.823 212 A HN 0.522 nan 8.150 nan 0.000 0.442 213 N N -0.072 118.677 118.700 0.081 0.000 2.058 213 N HA -0.135 4.606 4.740 0.001 0.000 0.191 213 N C 2.056 177.668 175.510 0.170 0.000 1.037 213 N CA 2.415 55.551 53.050 0.143 0.000 0.848 213 N CB -0.832 37.795 38.487 0.234 0.000 1.021 213 N HN 0.697 nan 8.380 nan 0.000 0.422 214 T N -2.415 112.228 114.554 0.148 0.000 2.904 214 T HA 0.019 4.369 4.350 0.001 0.000 0.267 214 T C 2.052 176.660 174.700 -0.153 0.000 1.059 214 T CA 1.227 63.322 62.100 -0.009 0.000 1.137 214 T CB -0.750 67.958 68.868 -0.266 0.000 0.879 214 T HN 0.171 nan 8.240 nan 0.000 0.467 215 G N 0.997 109.727 108.800 -0.117 0.000 2.422 215 G HA2 -0.096 3.865 3.960 0.001 0.000 0.218 215 G HA3 -0.096 3.865 3.960 0.001 0.000 0.218 215 G C 1.606 176.397 174.900 -0.182 0.000 1.140 215 G CA 1.279 46.303 45.100 -0.126 0.000 0.775 215 G HN 0.555 nan 8.290 nan 0.000 0.545 216 T N -0.556 113.826 114.554 -0.286 0.000 2.939 216 T HA 0.061 4.411 4.350 0.001 0.000 0.254 216 T C 1.455 175.758 174.700 -0.663 0.000 1.041 216 T CA 0.723 62.481 62.100 -0.570 0.000 1.142 216 T CB -0.089 68.237 68.868 -0.904 0.000 0.874 216 T HN 0.336 nan 8.240 nan 0.000 0.452 217 Y N 0.871 121.103 120.300 -0.113 0.000 2.500 217 Y HA 0.517 5.067 4.550 0.001 0.000 0.246 217 Y C 1.310 177.203 175.900 -0.011 0.000 1.146 217 Y CA -0.572 57.411 58.100 -0.195 0.000 1.230 217 Y CB 0.208 38.394 38.460 -0.458 0.000 1.214 217 Y HN 0.343 nan 8.280 nan 0.000 0.526 218 G N 0.077 108.924 108.800 0.079 0.000 2.746 218 G HA2 -0.223 3.737 3.960 0.001 0.000 0.685 218 G HA3 -0.223 3.737 3.960 0.001 0.000 0.685 218 G C -1.108 173.791 174.900 -0.000 0.000 1.350 218 G CA -1.051 44.064 45.100 0.024 0.000 0.837 218 G HN 0.416 nan 8.290 nan 0.000 0.564 219 H N 1.443 120.523 119.070 0.015 0.000 2.722 219 H HA 0.424 4.981 4.556 0.001 0.000 0.328 219 H C -1.706 173.507 175.328 -0.192 0.000 1.067 219 H CA -0.397 55.595 56.048 -0.094 0.000 1.447 219 H CB 0.789 30.487 29.762 -0.107 0.000 1.469 219 H HN 0.391 nan 8.280 nan 0.000 0.544 220 P HA -0.077 nan 4.420 nan 0.000 0.266 220 P C -0.593 176.602 177.300 -0.175 0.000 1.193 220 P CA 0.352 63.272 63.100 -0.301 0.000 0.770 220 P CB 0.558 32.056 31.700 -0.337 0.000 0.836 221 E N 1.649 121.753 120.200 -0.161 0.000 2.416 221 E HA 0.446 4.796 4.350 0.001 0.000 0.273 221 E C -0.718 175.699 176.600 -0.304 0.000 0.935 221 E CA -1.051 55.225 56.400 -0.206 0.000 0.784 221 E CB 1.052 30.687 29.700 -0.108 0.000 1.301 221 E HN 0.158 nan 8.360 nan 0.000 0.454 222 I N 1.526 121.849 120.570 -0.412 0.000 2.752 222 I HA 0.028 4.198 4.170 0.001 0.000 0.289 222 I C -0.338 175.641 176.117 -0.229 0.000 1.197 222 I CA 1.066 62.073 61.300 -0.489 0.000 1.432 222 I CB 0.220 37.945 38.000 -0.457 0.000 1.359 222 I HN 0.488 nan 8.210 nan 0.000 0.571 223 T N 5.945 120.386 114.554 -0.188 0.000 2.993 223 T HA 0.317 4.668 4.350 0.001 0.000 0.312 223 T C -0.682 174.035 174.700 0.028 0.000 1.115 223 T CA -1.039 61.058 62.100 -0.005 0.000 1.027 223 T CB 1.603 70.580 68.868 0.181 0.000 1.116 223 T HN 0.384 nan 8.240 nan 0.000 0.464 224 K N 1.976 122.399 120.400 0.037 0.000 2.211 224 K HA 0.652 4.973 4.320 0.001 0.000 0.275 224 K C -0.829 175.780 176.600 0.015 0.000 1.024 224 K CA -0.713 55.593 56.287 0.033 0.000 0.887 224 K CB 1.486 33.998 32.500 0.019 0.000 1.084 224 K HN 0.264 nan 8.250 nan 0.000 0.463 225 V N 3.096 123.001 119.914 -0.014 0.000 2.384 225 V HA 0.125 4.246 4.120 0.001 0.000 0.287 225 V C -0.067 175.955 176.094 -0.120 0.000 1.020 225 V CA -1.125 61.086 62.300 -0.148 0.000 0.850 225 V CB 1.321 32.988 31.823 -0.261 0.000 0.987 225 V HN 0.701 nan 8.190 nan 0.000 0.436 226 N N 3.813 122.438 118.700 -0.126 0.000 2.483 226 N HA 0.162 4.903 4.740 0.001 0.000 0.264 226 N C 0.668 176.157 175.510 -0.034 0.000 1.197 226 N CA -0.051 52.965 53.050 -0.055 0.000 0.927 226 N CB 0.841 39.307 38.487 -0.034 0.000 1.065 226 N HN 0.761 nan 8.380 nan 0.000 0.461 227 I N -0.043 120.532 120.570 0.008 0.000 4.018 227 I HA 0.480 4.651 4.170 0.001 0.000 0.337 227 I C 0.926 177.086 176.117 0.073 0.000 1.327 227 I CA -0.599 60.722 61.300 0.036 0.000 1.100 227 I CB 0.113 38.117 38.000 0.007 0.000 1.025 227 I HN 0.309 nan 8.210 nan 0.000 0.396 228 G N 1.812 110.662 108.800 0.083 0.000 2.563 228 G HA2 0.524 4.484 3.960 0.001 0.000 0.283 228 G HA3 0.524 4.484 3.960 0.001 0.000 0.283 228 G C -0.285 174.742 174.900 0.212 0.000 1.309 228 G CA 0.196 45.363 45.100 0.113 0.000 1.022 228 G HN 0.273 nan 8.290 nan 0.000 0.501 229 V N -2.942 117.095 119.914 0.206 0.000 3.074 229 V HA 0.965 5.086 4.120 0.001 0.000 0.314 229 V C 0.579 176.795 176.094 0.204 0.000 1.117 229 V CA -0.144 62.333 62.300 0.294 0.000 1.014 229 V CB 1.349 33.283 31.823 0.186 0.000 1.057 229 V HN 1.137 nan 8.190 nan 0.000 0.438 230 G N 0.565 109.522 108.800 0.262 0.000 2.583 230 G HA2 0.505 4.465 3.960 0.001 0.000 0.280 230 G HA3 0.505 4.465 3.960 0.001 0.000 0.280 230 G C 0.600 175.558 174.900 0.098 0.000 1.376 230 G CA 0.042 45.233 45.100 0.151 0.000 1.043 230 G HN 1.666 nan 8.290 nan 0.000 0.538 231 S N -1.119 114.619 115.700 0.063 0.000 2.559 231 S HA 0.219 4.689 4.470 0.001 0.000 0.226 231 S C 0.335 174.943 174.600 0.013 0.000 1.000 231 S CA -0.549 57.665 58.200 0.024 0.000 0.948 231 S CB -0.042 63.169 63.200 0.019 0.000 0.870 231 S HN 0.351 nan 8.310 nan 0.000 0.497 232 N N 3.058 121.780 118.700 0.037 0.000 2.492 232 N HA 0.496 5.236 4.740 0.001 0.000 0.289 232 N C -3.074 172.435 175.510 -0.002 0.000 1.133 232 N CA -1.708 51.358 53.050 0.026 0.000 0.961 232 N CB 0.517 39.035 38.487 0.052 0.000 1.186 232 N HN 0.093 nan 8.380 nan 0.000 0.493 233 P HA 0.138 nan 4.420 nan 0.000 0.267 233 P C -0.107 177.186 177.300 -0.012 0.000 1.200 233 P CA 0.026 63.081 63.100 -0.076 0.000 0.772 233 P CB 0.459 32.127 31.700 -0.053 0.000 0.855 234 G N 1.194 109.958 108.800 -0.059 0.000 2.680 234 G HA2 0.722 4.682 3.960 0.001 0.000 0.290 234 G HA3 0.722 4.682 3.960 0.001 0.000 0.290 234 G C -1.499 173.553 174.900 0.254 0.000 1.355 234 G CA -0.734 44.475 45.100 0.181 0.000 0.903 234 G HN 0.380 nan 8.290 nan 0.000 0.474 235 I N 0.320 121.058 120.570 0.281 0.000 2.433 235 I HA 0.326 4.497 4.170 0.001 0.000 0.292 235 I C -0.947 175.153 176.117 -0.028 0.000 1.001 235 I CA -0.797 60.562 61.300 0.098 0.000 1.119 235 I CB 2.143 40.081 38.000 -0.103 0.000 1.289 235 I HN 0.221 nan 8.210 nan 0.000 0.438 236 L N 7.918 128.857 121.223 -0.473 0.000 2.265 236 L HA 0.520 4.860 4.340 0.001 0.000 0.289 236 L C -0.628 175.988 176.870 -0.423 0.000 1.033 236 L CA -0.015 54.381 54.840 -0.740 0.000 0.814 236 L CB 0.961 42.080 42.059 -1.566 0.000 1.203 236 L HN 0.485 nan 8.230 nan 0.000 0.423 237 I N 4.071 124.502 120.570 -0.232 0.000 2.359 237 I HA 0.462 4.633 4.170 0.001 0.000 0.294 237 I C -0.182 175.905 176.117 -0.051 0.000 0.987 237 I CA 0.174 61.369 61.300 -0.175 0.000 1.225 237 I CB 1.314 39.188 38.000 -0.211 0.000 1.366 237 I HN 0.720 nan 8.210 nan 0.000 0.466 238 S N 4.154 119.856 115.700 0.004 0.000 2.671 238 S HA 0.956 5.426 4.470 0.001 0.000 0.299 238 S C -0.029 174.658 174.600 0.144 0.000 1.116 238 S CA 0.366 58.666 58.200 0.167 0.000 0.912 238 S CB 1.482 64.890 63.200 0.346 0.000 1.130 238 S HN 1.246 nan 8.310 nan 0.000 0.501 239 G N 1.739 110.639 108.800 0.166 0.000 2.481 239 G HA2 -0.153 3.808 3.960 0.001 0.000 0.230 239 G HA3 -0.153 3.808 3.960 0.001 0.000 0.230 239 G C -0.185 174.727 174.900 0.020 0.000 1.210 239 G CA 0.618 45.839 45.100 0.201 0.000 0.936 239 G HN 0.888 nan 8.290 nan 0.000 0.583 240 H N 0.099 119.294 119.070 0.209 0.000 3.622 240 H HA 0.345 4.902 4.556 0.001 0.000 0.259 240 H C 0.274 175.536 175.328 -0.109 0.000 1.145 240 H CA 0.307 56.437 56.048 0.136 0.000 1.178 240 H CB 0.610 30.575 29.762 0.339 0.000 1.542 240 H HN 0.479 nan 8.280 nan 0.000 0.586 241 D N 1.162 121.579 120.400 0.029 0.000 2.338 241 D HA 0.078 4.719 4.640 0.001 0.000 0.255 241 D C 0.963 177.188 176.300 -0.126 0.000 1.237 241 D CA -0.012 53.912 54.000 -0.127 0.000 0.883 241 D CB 0.731 41.592 40.800 0.101 0.000 1.087 241 D HN 0.184 nan 8.370 nan 0.000 0.485 242 L N 3.168 124.297 121.223 -0.157 0.000 2.217 242 L HA -0.031 4.309 4.340 0.001 0.000 0.211 242 L C 2.286 179.061 176.870 -0.159 0.000 1.107 242 L CA 0.411 55.109 54.840 -0.237 0.000 0.783 242 L CB -0.270 41.645 42.059 -0.241 0.000 0.919 242 L HN 0.390 nan 8.230 nan 0.000 0.442 243 R N 0.705 121.242 120.500 0.063 0.000 2.092 243 R HA -0.143 4.198 4.340 0.001 0.000 0.231 243 R C 1.740 178.088 176.300 0.079 0.000 1.119 243 R CA 1.497 57.699 56.100 0.170 0.000 0.970 243 R CB -0.435 29.991 30.300 0.209 0.000 0.864 243 R HN 0.220 nan 8.270 nan 0.000 0.440 244 D N 0.247 120.675 120.400 0.046 0.000 2.123 244 D HA -0.172 4.469 4.640 0.001 0.000 0.196 244 D C 1.790 178.029 176.300 -0.103 0.000 0.992 244 D CA 1.316 55.359 54.000 0.073 0.000 0.833 244 D CB -0.259 40.590 40.800 0.081 0.000 0.954 244 D HN 0.213 nan 8.370 nan 0.000 0.455 245 L N 1.312 122.362 121.223 -0.288 0.000 2.046 245 L HA -0.139 4.202 4.340 0.001 0.000 0.208 245 L C 2.126 178.668 176.870 -0.546 0.000 1.077 245 L CA 1.819 56.325 54.840 -0.557 0.000 0.747 245 L CB -0.541 40.999 42.059 -0.865 0.000 0.896 245 L HN -0.017 nan 8.230 nan 0.000 0.432 246 E N -0.650 119.354 120.200 -0.327 0.000 2.058 246 E HA -0.286 4.064 4.350 0.001 0.000 0.194 246 E C 2.139 178.708 176.600 -0.053 0.000 0.997 246 E CA 2.046 58.408 56.400 -0.063 0.000 0.801 246 E CB -0.211 29.631 29.700 0.238 0.000 0.746 246 E HN 0.595 nan 8.360 nan 0.000 0.450 247 M N 0.076 119.704 119.600 0.046 0.000 2.132 247 M HA -0.148 4.332 4.480 0.001 0.000 0.263 247 M C 2.471 178.848 176.300 0.129 0.000 1.065 247 M CA 0.814 56.208 55.300 0.157 0.000 1.122 247 M CB -0.201 32.553 32.600 0.257 0.000 1.365 247 M HN 0.211 nan 8.290 nan 0.000 0.411 248 L N 0.696 121.873 121.223 -0.077 0.000 2.046 248 L HA -0.134 4.206 4.340 0.001 0.000 0.208 248 L C 2.065 178.783 176.870 -0.254 0.000 1.077 248 L CA 1.739 56.373 54.840 -0.343 0.000 0.747 248 L CB -0.506 41.120 42.059 -0.722 0.000 0.896 248 L HN 0.231 nan 8.230 nan 0.000 0.432 249 L N -0.811 120.179 121.223 -0.389 0.000 2.046 249 L HA -0.229 4.112 4.340 0.001 0.000 0.208 249 L C 2.593 179.351 176.870 -0.187 0.000 1.077 249 L CA 1.445 55.996 54.840 -0.482 0.000 0.747 249 L CB -0.528 40.830 42.059 -1.168 0.000 0.896 249 L HN 0.236 nan 8.230 nan 0.000 0.432 250 K N -0.307 120.016 120.400 -0.128 0.000 2.057 250 K HA -0.206 4.114 4.320 0.001 0.000 0.207 250 K C 2.106 178.767 176.600 0.103 0.000 1.049 250 K CA 1.381 57.721 56.287 0.089 0.000 0.931 250 K CB -0.104 32.477 32.500 0.135 0.000 0.714 250 K HN 0.404 nan 8.250 nan 0.000 0.440 251 Q N -0.263 119.591 119.800 0.090 0.000 2.311 251 Q HA -0.064 4.277 4.340 0.001 0.000 0.203 251 Q C 1.730 177.753 176.000 0.038 0.000 0.954 251 Q CA 1.505 57.365 55.803 0.096 0.000 0.885 251 Q CB 0.207 29.044 28.738 0.165 0.000 0.963 251 Q HN 0.427 nan 8.270 nan 0.000 0.471 252 T N -2.292 112.272 114.554 0.016 0.000 3.100 252 T HA -0.003 4.348 4.350 0.001 0.000 0.253 252 T C 0.587 175.130 174.700 -0.262 0.000 1.118 252 T CA -0.114 61.956 62.100 -0.050 0.000 1.058 252 T CB 0.064 68.950 68.868 0.030 0.000 0.953 252 T HN 0.005 nan 8.240 nan 0.000 0.515 253 E N 1.671 121.747 120.200 -0.206 0.000 2.585 253 E HA 0.353 4.704 4.350 0.001 0.000 0.252 253 E C 1.394 177.893 176.600 -0.169 0.000 0.981 253 E CA 1.066 57.305 56.400 -0.268 0.000 0.943 253 E CB -0.595 29.132 29.700 0.045 0.000 0.923 253 E HN 0.448 nan 8.360 nan 0.000 0.486 254 G N 3.056 111.742 108.800 -0.191 0.000 2.179 254 G HA2 -0.353 3.608 3.960 0.001 0.000 0.260 254 G HA3 -0.353 3.608 3.960 0.001 0.000 0.260 254 G C 0.939 175.791 174.900 -0.079 0.000 0.977 254 G CA 0.993 46.037 45.100 -0.094 0.000 0.641 254 G HN 0.808 nan 8.290 nan 0.000 0.533 255 T N -2.535 111.955 114.554 -0.106 0.000 3.065 255 T HA 0.431 4.781 4.350 0.001 0.000 0.252 255 T C 2.447 177.121 174.700 -0.043 0.000 1.099 255 T CA 1.621 63.685 62.100 -0.060 0.000 1.063 255 T CB 0.318 69.155 68.868 -0.052 0.000 0.948 255 T HN 2.169 nan 8.240 nan 0.000 0.506 256 G N 0.772 109.541 108.800 -0.052 0.000 2.179 256 G HA2 -0.222 3.739 3.960 0.001 0.000 0.260 256 G HA3 -0.222 3.739 3.960 0.001 0.000 0.260 256 G C 0.026 174.926 174.900 0.000 0.000 0.977 256 G CA 0.058 45.146 45.100 -0.019 0.000 0.641 256 G HN 0.740 nan 8.290 nan 0.000 0.533 257 V N 1.590 121.501 119.914 -0.005 0.000 2.394 257 V HA 0.482 4.603 4.120 0.001 0.000 0.282 257 V C 0.009 176.159 176.094 0.094 0.000 1.031 257 V CA -0.956 61.364 62.300 0.032 0.000 0.881 257 V CB 1.629 33.459 31.823 0.011 0.000 0.982 257 V HN 0.226 nan 8.190 nan 0.000 0.451 258 D N 2.783 123.267 120.400 0.140 0.000 2.348 258 D HA 0.522 5.163 4.640 0.001 0.000 0.249 258 D C -0.407 176.005 176.300 0.187 0.000 1.110 258 D CA -0.100 54.003 54.000 0.172 0.000 0.967 258 D CB 2.124 43.004 40.800 0.134 0.000 1.139 258 D HN 0.265 nan 8.370 nan 0.000 0.466 259 V N 1.768 121.741 119.914 0.098 0.000 2.540 259 V HA 0.340 4.460 4.120 0.001 0.000 0.302 259 V C -0.965 175.182 176.094 0.088 0.000 1.035 259 V CA -0.691 61.673 62.300 0.107 0.000 0.873 259 V CB 0.962 32.760 31.823 -0.042 0.000 0.992 259 V HN 0.384 nan 8.190 nan 0.000 0.428 260 Y N 1.517 121.883 120.300 0.110 0.000 2.524 260 Y HA 0.666 5.217 4.550 0.001 0.000 0.344 260 Y C 0.778 176.714 175.900 0.060 0.000 1.012 260 Y CA -0.784 57.383 58.100 0.110 0.000 1.068 260 Y CB 2.229 40.764 38.460 0.124 0.000 1.249 260 Y HN 0.718 nan 8.280 nan 0.000 0.468 261 T N -1.374 113.358 114.554 0.297 0.000 2.943 261 T HA 0.419 4.770 4.350 0.001 0.000 0.284 261 T C -1.079 173.757 174.700 0.228 0.000 1.015 261 T CA -0.624 61.604 62.100 0.214 0.000 1.042 261 T CB 1.623 70.638 68.868 0.245 0.000 1.055 261 T HN 0.789 nan 8.240 nan 0.000 0.500 262 H N 0.483 119.594 119.070 0.068 0.000 2.771 262 H HA 0.419 4.975 4.556 0.001 0.000 0.361 262 H C 0.554 175.923 175.328 0.070 0.000 1.108 262 H CA 0.368 56.457 56.048 0.069 0.000 1.201 262 H CB 2.024 31.838 29.762 0.086 0.000 1.681 262 H HN 0.966 nan 8.280 nan 0.000 0.534 263 S N 2.749 118.032 115.700 -0.695 0.000 4.155 263 S HA -0.273 4.197 4.470 0.001 0.000 0.552 263 S C 1.225 175.821 174.600 -0.007 0.000 1.869 263 S CA 1.760 59.671 58.200 -0.482 0.000 4.246 263 S CB -1.210 61.615 63.200 -0.625 0.000 0.245 263 S HN 0.870 nan 8.310 nan 0.000 0.461 264 E N 0.734 120.895 120.200 -0.065 0.000 2.502 264 E HA 0.098 4.448 4.350 0.001 0.000 0.194 264 E C 1.384 177.915 176.600 -0.115 0.000 1.062 264 E CA 0.258 56.576 56.400 -0.136 0.000 0.867 264 E CB -0.095 29.263 29.700 -0.571 0.000 0.888 264 E HN 0.490 nan 8.360 nan 0.000 0.510 265 M N -0.050 119.522 119.600 -0.046 0.000 2.502 265 M HA 0.016 4.496 4.480 0.001 0.000 0.243 265 M C 1.947 178.263 176.300 0.026 0.000 1.130 265 M CA 0.104 55.390 55.300 -0.022 0.000 1.055 265 M CB -0.623 31.965 32.600 -0.019 0.000 1.457 265 M HN 0.112 nan 8.290 nan 0.000 0.488 266 L N 2.510 123.768 121.223 0.058 0.000 2.034 266 L HA -0.128 4.213 4.340 0.001 0.000 0.217 266 L C -0.968 175.813 176.870 -0.149 0.000 1.077 266 L CA 2.524 57.398 54.840 0.057 0.000 0.769 266 L CB -1.950 40.141 42.059 0.054 0.000 0.890 266 L HN 0.107 nan 8.230 nan 0.000 0.435 267 P HA -0.066 nan 4.420 nan 0.000 0.228 267 P C 1.485 178.720 177.300 -0.108 0.000 1.151 267 P CA 1.412 64.210 63.100 -0.503 0.000 0.770 267 P CB -0.274 31.442 31.700 0.027 0.000 0.786 268 A N -0.453 122.388 122.820 0.035 0.000 1.986 268 A HA -0.268 4.052 4.320 0.001 0.000 0.220 268 A C 1.780 179.550 177.584 0.310 0.000 1.171 268 A CA 1.736 53.860 52.037 0.145 0.000 0.640 268 A CB -1.784 17.091 19.000 -0.208 0.000 0.811 268 A HN 0.258 nan 8.150 nan 0.000 0.451 269 H N -2.199 116.942 119.070 0.118 0.000 2.489 269 H HA -0.136 4.421 4.556 0.001 0.000 0.295 269 H C 1.364 176.869 175.328 0.294 0.000 1.082 269 H CA 1.916 58.047 56.048 0.139 0.000 1.295 269 H CB -0.179 29.520 29.762 -0.105 0.000 1.380 269 H HN 0.655 nan 8.280 nan 0.000 0.548 270 Y N -1.320 119.174 120.300 0.324 0.000 2.516 270 Y HA 0.013 4.564 4.550 0.001 0.000 0.291 270 Y C 0.082 176.015 175.900 0.056 0.000 1.131 270 Y CA -0.516 57.654 58.100 0.117 0.000 1.281 270 Y CB -0.818 37.634 38.460 -0.013 0.000 1.013 270 Y HN 0.131 nan 8.280 nan 0.000 0.554 271 Y N 1.411 121.897 120.300 0.309 0.000 2.316 271 Y HA 0.207 4.757 4.550 0.001 0.000 0.331 271 Y C -1.212 174.753 175.900 0.109 0.000 1.083 271 Y CA -2.649 55.562 58.100 0.186 0.000 1.206 271 Y CB 0.523 39.074 38.460 0.152 0.000 1.195 271 Y HN -0.102 nan 8.280 nan 0.000 0.497 272 P HA -0.300 nan 4.420 nan 0.000 0.216 272 P C 1.198 178.526 177.300 0.048 0.000 1.154 272 P CA 2.487 65.646 63.100 0.098 0.000 0.865 272 P CB 0.199 31.935 31.700 0.061 0.000 0.789 273 A N -1.742 121.045 122.820 -0.054 0.000 2.019 273 A HA -0.159 4.161 4.320 0.001 0.000 0.219 273 A C 1.562 179.061 177.584 -0.142 0.000 1.164 273 A CA 1.409 53.342 52.037 -0.174 0.000 0.644 273 A CB -1.532 17.312 19.000 -0.260 0.000 0.805 273 A HN 0.130 nan 8.150 nan 0.000 0.449 274 F N -0.329 119.736 119.950 0.192 0.000 2.776 274 F HA 0.192 4.719 4.527 0.001 0.000 0.300 274 F C 1.851 177.840 175.800 0.316 0.000 1.116 274 F CA 0.240 58.370 58.000 0.215 0.000 1.375 274 F CB -0.008 38.985 39.000 -0.013 0.000 1.109 274 F HN 0.123 nan 8.300 nan 0.000 0.585 275 K N 0.958 121.555 120.400 0.329 0.000 2.365 275 K HA -0.108 4.213 4.320 0.001 0.000 0.199 275 K C 1.851 178.533 176.600 0.137 0.000 1.045 275 K CA 0.791 57.225 56.287 0.245 0.000 0.962 275 K CB -0.105 32.496 32.500 0.167 0.000 0.759 275 K HN 0.354 nan 8.250 nan 0.000 0.469 276 K N -0.072 120.337 120.400 0.014 0.000 2.439 276 K HA -0.066 4.254 4.320 0.001 0.000 0.197 276 K C -0.226 176.262 176.600 -0.188 0.000 1.041 276 K CA 0.628 56.827 56.287 -0.146 0.000 0.970 276 K CB -0.051 32.266 32.500 -0.305 0.000 0.773 276 K HN -0.027 nan 8.250 nan 0.000 0.479 277 Y N 1.127 121.483 120.300 0.094 0.000 2.425 277 Y HA 0.319 4.870 4.550 0.001 0.000 0.347 277 Y C 1.334 177.269 175.900 0.059 0.000 0.976 277 Y CA -0.675 57.453 58.100 0.046 0.000 1.190 277 Y CB 1.369 39.742 38.460 -0.144 0.000 1.136 277 Y HN 0.051 nan 8.280 nan 0.000 0.517 278 A N 2.396 125.364 122.820 0.246 0.000 2.019 278 A HA -0.190 4.131 4.320 0.001 0.000 0.219 278 A C 1.768 179.469 177.584 0.195 0.000 1.164 278 A CA 1.665 53.817 52.037 0.190 0.000 0.644 278 A CB -0.732 18.367 19.000 0.165 0.000 0.805 278 A HN 0.911 nan 8.150 nan 0.000 0.449 279 H N -3.261 115.897 119.070 0.148 0.000 2.539 279 H HA 0.143 4.700 4.556 0.001 0.000 0.267 279 H C -0.224 175.170 175.328 0.110 0.000 0.982 279 H CA -0.576 55.527 56.048 0.092 0.000 1.146 279 H CB -0.535 29.268 29.762 0.068 0.000 1.382 279 H HN 0.285 nan 8.280 nan 0.000 0.577 280 F N 3.788 123.545 119.950 -0.322 0.000 2.404 280 F HA 0.247 4.774 4.527 0.001 0.000 0.359 280 F C 0.260 175.955 175.800 -0.175 0.000 1.134 280 F CA -1.359 56.464 58.000 -0.296 0.000 1.160 280 F CB 0.515 39.363 39.000 -0.254 0.000 1.186 280 F HN -0.119 nan 8.300 nan 0.000 0.526 281 K N 3.553 123.754 120.400 -0.332 0.000 2.879 281 K HA 0.519 4.840 4.320 0.001 0.000 0.287 281 K C 0.779 177.149 176.600 -0.383 0.000 0.988 281 K CA -0.104 55.911 56.287 -0.455 0.000 1.528 281 K CB -0.666 31.331 32.500 -0.837 0.000 2.046 281 K HN 0.613 nan 8.250 nan 0.000 0.785 282 G N 0.269 108.894 108.800 -0.291 0.000 2.606 282 G HA2 0.202 4.163 3.960 0.001 0.000 0.262 282 G HA3 0.202 4.163 3.960 0.001 0.000 0.262 282 G C -0.793 174.127 174.900 0.035 0.000 1.394 282 G CA -0.306 44.717 45.100 -0.127 0.000 1.044 282 G HN 0.415 nan 8.290 nan 0.000 0.553 283 N N -1.598 117.092 118.700 -0.017 0.000 2.408 283 N HA 0.389 5.130 4.740 0.001 0.000 0.280 283 N C -1.753 173.897 175.510 0.234 0.000 1.002 283 N CA -0.567 52.560 53.050 0.128 0.000 0.907 283 N CB 1.176 39.668 38.487 0.009 0.000 1.161 283 N HN 0.385 nan 8.380 nan 0.000 0.488 284 Y N 4.283 124.677 120.300 0.156 0.000 2.331 284 Y HA 0.555 5.105 4.550 0.001 0.000 0.338 284 Y C 0.844 176.789 175.900 0.075 0.000 0.976 284 Y CA 0.767 58.936 58.100 0.116 0.000 1.137 284 Y CB 0.559 39.078 38.460 0.099 0.000 1.172 284 Y HN 0.858 nan 8.280 nan 0.000 0.478 285 G N 4.933 113.511 108.800 -0.369 0.000 2.512 285 G HA2 -0.256 3.705 3.960 0.001 0.000 0.240 285 G HA3 -0.256 3.705 3.960 0.001 0.000 0.240 285 G C -0.607 174.092 174.900 -0.335 0.000 1.246 285 G CA 0.013 44.895 45.100 -0.362 0.000 0.919 285 G HN 0.714 nan 8.290 nan 0.000 0.577 286 N N -0.520 117.861 118.700 -0.532 0.000 3.550 286 N HA 0.660 5.400 4.740 0.001 0.000 0.357 286 N C 0.628 175.306 175.510 -1.388 0.000 1.585 286 N CA 0.055 52.529 53.050 -0.960 0.000 0.651 286 N CB 0.527 38.641 38.487 -0.622 0.000 2.273 286 N HN 1.309 nan 8.380 nan 0.000 0.631 287 A N 0.732 122.809 122.820 -1.238 0.000 2.327 287 A HA 0.133 4.454 4.320 0.001 0.000 0.255 287 A C 1.400 178.604 177.584 -0.634 0.000 1.099 287 A CA -0.399 51.165 52.037 -0.788 0.000 0.801 287 A CB -0.461 18.372 19.000 -0.278 0.000 1.062 287 A HN 0.836 nan 8.150 nan 0.000 0.496 288 W N 0.683 121.838 121.300 -0.242 0.000 2.308 288 W HA -0.254 4.406 4.660 0.001 0.000 0.301 288 W C 1.627 178.061 176.519 -0.142 0.000 1.220 288 W CA 1.833 59.146 57.345 -0.053 0.000 1.240 288 W CB -1.170 28.337 29.460 0.078 0.000 1.142 288 W HN 0.882 nan 8.180 nan 0.000 0.521 289 W N 1.757 122.292 121.300 -1.275 0.000 2.699 289 W HA 0.108 4.768 4.660 0.001 0.000 0.249 289 W C 1.027 177.182 176.519 -0.607 0.000 1.280 289 W CA 0.702 57.280 57.345 -1.278 0.000 1.345 289 W CB -1.218 27.142 29.460 -1.832 0.000 1.128 289 W HN -0.022 nan 8.180 nan 0.000 0.642 290 K N 1.522 121.252 120.400 -1.116 0.000 2.437 290 K HA -0.056 4.265 4.320 0.001 0.000 0.198 290 K C 2.144 178.397 176.600 -0.578 0.000 1.024 290 K CA 0.481 56.239 56.287 -0.881 0.000 1.148 290 K CB 0.008 31.878 32.500 -1.051 0.000 0.860 290 K HN 0.359 nan 8.250 nan 0.000 0.515 291 Q N 0.752 120.197 119.800 -0.593 0.000 2.297 291 Q HA -0.100 4.240 4.340 0.001 0.000 0.204 291 Q C 1.172 176.738 176.000 -0.725 0.000 0.962 291 Q CA 1.046 56.277 55.803 -0.953 0.000 0.879 291 Q CB -0.067 27.737 28.738 -1.557 0.000 0.947 291 Q HN 0.124 nan 8.270 nan 0.000 0.462 292 K N 0.527 120.726 120.400 -0.335 0.000 2.147 292 K HA -0.153 4.167 4.320 0.001 0.000 0.205 292 K C 1.686 178.230 176.600 -0.093 0.000 1.049 292 K CA 1.686 57.934 56.287 -0.066 0.000 0.936 292 K CB 0.139 32.661 32.500 0.036 0.000 0.722 292 K HN 0.248 nan 8.250 nan 0.000 0.446 293 E N 0.720 120.817 120.200 -0.171 0.000 2.060 293 E HA -0.081 4.269 4.350 0.001 0.000 0.189 293 E C 1.719 178.236 176.600 -0.138 0.000 0.974 293 E CA 1.007 57.330 56.400 -0.129 0.000 0.808 293 E CB 0.103 29.717 29.700 -0.142 0.000 0.768 293 E HN 0.279 nan 8.360 nan 0.000 0.453 294 E N -0.276 119.798 120.200 -0.210 0.000 2.112 294 E HA -0.065 4.285 4.350 0.001 0.000 0.190 294 E C 1.543 178.205 176.600 0.104 0.000 0.979 294 E CA 0.415 56.779 56.400 -0.059 0.000 0.814 294 E CB -0.074 29.538 29.700 -0.148 0.000 0.762 294 E HN 0.161 nan 8.360 nan 0.000 0.460 295 F N 1.610 121.341 119.950 -0.366 0.000 2.171 295 F HA -0.126 4.402 4.527 0.001 0.000 0.300 295 F C 2.432 177.950 175.800 -0.469 0.000 1.090 295 F CA 1.227 58.907 58.000 -0.535 0.000 1.293 295 F CB -0.855 37.579 39.000 -0.944 0.000 1.013 295 F HN 0.047 nan 8.300 nan 0.000 0.486 296 E N 0.867 120.902 120.200 -0.274 0.000 2.031 296 E HA -0.190 4.161 4.350 0.001 0.000 0.193 296 E C 2.199 178.806 176.600 0.012 0.000 0.994 296 E CA 2.156 58.519 56.400 -0.060 0.000 0.800 296 E CB -0.349 29.380 29.700 0.049 0.000 0.752 296 E HN 0.229 nan 8.360 nan 0.000 0.447 297 S N -0.719 115.010 115.700 0.048 0.000 2.481 297 S HA -0.090 4.380 4.470 0.001 0.000 0.231 297 S C 1.893 176.516 174.600 0.039 0.000 0.996 297 S CA 0.512 58.755 58.200 0.072 0.000 0.942 297 S CB -0.598 62.672 63.200 0.117 0.000 0.768 297 S HN 0.380 nan 8.310 nan 0.000 0.520 298 F N 3.069 122.924 119.950 -0.159 0.000 2.269 298 F HA -0.030 4.497 4.527 0.001 0.000 0.301 298 F C 1.034 176.610 175.800 -0.374 0.000 1.082 298 F CA 1.314 58.997 58.000 -0.529 0.000 1.360 298 F CB -0.662 37.965 39.000 -0.620 0.000 1.041 298 F HN 0.352 nan 8.300 nan 0.000 0.512 299 N N -2.082 116.472 118.700 -0.243 0.000 2.805 299 N HA -0.216 4.524 4.740 0.001 0.000 0.216 299 N C 0.788 176.173 175.510 -0.209 0.000 0.930 299 N CA 0.700 53.614 53.050 -0.226 0.000 1.376 299 N CB -1.661 36.662 38.487 -0.274 0.000 0.939 299 N HN 0.501 nan 8.380 nan 0.000 0.583 300 G N 0.652 109.271 108.800 -0.301 0.000 2.531 300 G HA2 0.606 4.567 3.960 0.001 0.000 0.313 300 G HA3 0.606 4.567 3.960 0.001 0.000 0.313 300 G C -2.724 172.198 174.900 0.037 0.000 1.238 300 G CA -0.863 44.160 45.100 -0.128 0.000 0.994 300 G HN -0.094 nan 8.290 nan 0.000 0.493 301 P HA 0.238 nan 4.420 nan 0.000 0.269 301 P C -0.389 176.826 177.300 -0.140 0.000 1.215 301 P CA -0.213 62.817 63.100 -0.116 0.000 0.780 301 P CB 1.281 32.849 31.700 -0.221 0.000 0.898 302 V N 4.180 123.980 119.914 -0.191 0.000 2.540 302 V HA 0.606 4.726 4.120 0.001 0.000 0.302 302 V C -1.409 174.552 176.094 -0.222 0.000 1.035 302 V CA -1.003 61.033 62.300 -0.439 0.000 0.873 302 V CB 1.414 32.661 31.823 -0.961 0.000 0.992 302 V HN 0.291 nan 8.190 nan 0.000 0.428 303 L N 7.348 128.429 121.223 -0.237 0.000 2.298 303 L HA 0.586 4.926 4.340 0.001 0.000 0.284 303 L C -1.025 175.813 176.870 -0.053 0.000 1.013 303 L CA -0.300 54.486 54.840 -0.090 0.000 0.824 303 L CB 1.448 43.408 42.059 -0.165 0.000 1.221 303 L HN 0.637 nan 8.230 nan 0.000 0.418 304 L N 5.515 126.768 121.223 0.051 0.000 2.255 304 L HA 0.301 4.642 4.340 0.001 0.000 0.289 304 L C 1.383 178.336 176.870 0.138 0.000 1.046 304 L CA 0.087 54.996 54.840 0.114 0.000 0.816 304 L CB 1.118 43.277 42.059 0.166 0.000 1.197 304 L HN 0.871 nan 8.230 nan 0.000 0.427 305 T N -1.399 113.239 114.554 0.139 0.000 3.054 305 T HA 0.044 4.395 4.350 0.001 0.000 0.259 305 T C 0.837 175.636 174.700 0.165 0.000 1.092 305 T CA 0.721 62.914 62.100 0.155 0.000 1.121 305 T CB 0.242 69.197 68.868 0.145 0.000 0.912 305 T HN 0.632 nan 8.240 nan 0.000 0.489 306 T N -0.048 114.629 114.554 0.204 0.000 2.671 306 T HA 0.427 4.777 4.350 0.001 0.000 0.300 306 T C -0.802 174.033 174.700 0.224 0.000 1.238 306 T CA -0.868 61.335 62.100 0.172 0.000 1.020 306 T CB 0.673 69.819 68.868 0.464 0.000 1.503 306 T HN 0.499 nan 8.240 nan 0.000 0.497 307 N N -0.943 117.900 118.700 0.238 0.000 2.344 307 N HA 0.287 5.027 4.740 0.001 0.000 0.236 307 N C -0.540 175.152 175.510 0.303 0.000 1.279 307 N CA -0.617 52.576 53.050 0.237 0.000 0.882 307 N CB 0.219 38.819 38.487 0.189 0.000 1.110 307 N HN 0.720 nan 8.380 nan 0.000 0.436 308 C N 1.668 121.095 119.300 0.211 0.000 2.273 308 C HA 0.450 4.910 4.460 0.001 0.000 0.328 308 C C -0.127 175.026 174.990 0.271 0.000 1.275 308 C CA -0.750 58.328 59.018 0.101 0.000 1.704 308 C CB -0.569 26.964 27.740 -0.347 0.000 2.326 308 C HN 0.664 nan 8.230 nan 0.000 0.517 309 L N 6.249 127.652 121.223 0.300 0.000 2.295 309 L HA 0.757 5.097 4.340 0.001 0.000 0.285 309 L C -0.044 177.029 176.870 0.338 0.000 1.035 309 L CA 0.110 55.153 54.840 0.338 0.000 0.806 309 L CB 1.315 43.578 42.059 0.340 0.000 1.214 309 L HN 0.597 nan 8.230 nan 0.000 0.426 310 V N 4.829 124.879 119.914 0.227 0.000 2.612 310 V HA 0.708 4.828 4.120 0.001 0.000 0.301 310 V C -2.370 173.616 176.094 -0.178 0.000 1.046 310 V CA -2.128 60.243 62.300 0.119 0.000 0.946 310 V CB 1.133 33.072 31.823 0.194 0.000 1.003 310 V HN 0.823 nan 8.190 nan 0.000 0.459 311 P HA 0.174 nan 4.420 nan 0.000 0.260 311 P C -2.573 174.405 177.300 -0.537 0.000 1.185 311 P CA -0.294 62.380 63.100 -0.709 0.000 0.763 311 P CB -0.242 31.240 31.700 -0.363 0.000 0.776 312 P HA 0.105 nan 4.420 nan 0.000 0.275 312 P C -0.317 176.645 177.300 -0.564 0.000 1.228 312 P CA -0.175 62.602 63.100 -0.538 0.000 0.786 312 P CB 0.771 32.127 31.700 -0.573 0.000 0.927 313 K N 1.988 121.973 120.400 -0.691 0.000 2.258 313 K HA 0.065 4.386 4.320 0.001 0.000 0.264 313 K C 0.989 177.287 176.600 -0.505 0.000 1.007 313 K CA -0.195 55.816 56.287 -0.459 0.000 0.941 313 K CB 0.181 32.545 32.500 -0.228 0.000 0.966 313 K HN 0.367 nan 8.250 nan 0.000 0.480 314 D N 0.731 120.978 120.400 -0.254 0.000 2.190 314 D HA -0.158 4.482 4.640 0.001 0.000 0.200 314 D C 1.680 177.891 176.300 -0.150 0.000 0.992 314 D CA 1.676 55.571 54.000 -0.175 0.000 0.854 314 D CB -0.044 40.703 40.800 -0.089 0.000 0.936 314 D HN 0.595 nan 8.370 nan 0.000 0.462 315 S N 0.027 115.658 115.700 -0.115 0.000 2.399 315 S HA -0.212 4.258 4.470 0.001 0.000 0.231 315 S C 1.820 176.458 174.600 0.064 0.000 1.022 315 S CA 1.186 59.386 58.200 0.000 0.000 0.983 315 S CB -0.629 62.616 63.200 0.075 0.000 0.803 315 S HN 0.585 nan 8.310 nan 0.000 0.480 316 Y N -0.590 119.714 120.300 0.007 0.000 2.527 316 Y HA 0.555 5.105 4.550 0.001 0.000 0.247 316 Y C 1.523 177.422 175.900 -0.001 0.000 1.138 316 Y CA -0.943 57.166 58.100 0.015 0.000 1.228 316 Y CB -0.050 38.433 38.460 0.038 0.000 1.252 316 Y HN 0.075 nan 8.280 nan 0.000 0.531 317 K N 1.429 121.659 120.400 -0.283 0.000 2.103 317 K HA -0.263 4.057 4.320 0.001 0.000 0.207 317 K C 1.240 177.805 176.600 -0.058 0.000 1.048 317 K CA 2.211 58.371 56.287 -0.212 0.000 0.930 317 K CB -0.288 32.075 32.500 -0.228 0.000 0.716 317 K HN 0.431 nan 8.250 nan 0.000 0.444 318 D N 0.184 120.577 120.400 -0.011 0.000 2.350 318 D HA -0.118 4.523 4.640 0.001 0.000 0.216 318 D C 1.132 177.499 176.300 0.113 0.000 0.968 318 D CA 0.719 54.735 54.000 0.026 0.000 0.894 318 D CB 0.205 41.033 40.800 0.047 0.000 0.909 318 D HN 0.370 nan 8.370 nan 0.000 0.520 319 R N -0.634 119.946 120.500 0.133 0.000 2.577 319 R HA 0.257 4.597 4.340 0.001 0.000 0.344 319 R C -0.630 175.743 176.300 0.121 0.000 1.037 319 R CA -0.359 55.835 56.100 0.158 0.000 1.102 319 R CB 0.305 30.624 30.300 0.032 0.000 1.313 319 R HN -0.065 nan 8.270 nan 0.000 0.561 320 V N 2.262 122.197 119.914 0.036 0.000 2.432 320 V HA 0.265 4.386 4.120 0.001 0.000 0.275 320 V C -0.887 175.168 176.094 -0.065 0.000 1.043 320 V CA -0.307 62.015 62.300 0.038 0.000 0.925 320 V CB 0.391 32.253 31.823 0.064 0.000 0.985 320 V HN 0.135 nan 8.190 nan 0.000 0.466 321 Y N 2.473 122.791 120.300 0.030 0.000 2.364 321 Y HA 0.584 5.134 4.550 0.001 0.000 0.340 321 Y C 0.722 176.689 175.900 0.111 0.000 0.975 321 Y CA -0.769 57.383 58.100 0.086 0.000 1.089 321 Y CB 2.132 40.635 38.460 0.071 0.000 1.192 321 Y HN 0.721 nan 8.280 nan 0.000 0.454 322 T N -1.149 113.592 114.554 0.312 0.000 2.945 322 T HA 0.812 5.162 4.350 0.001 0.000 0.286 322 T C -0.279 174.709 174.700 0.481 0.000 1.025 322 T CA -0.617 61.683 62.100 0.333 0.000 1.039 322 T CB 2.161 71.188 68.868 0.265 0.000 1.068 322 T HN 0.638 nan 8.240 nan 0.000 0.497 323 T N -1.069 113.732 114.554 0.412 0.000 2.731 323 T HA 0.634 4.985 4.350 0.001 0.000 0.300 323 T C 0.680 175.595 174.700 0.357 0.000 1.283 323 T CA 0.937 63.259 62.100 0.370 0.000 1.005 323 T CB 0.819 69.805 68.868 0.198 0.000 1.420 323 T HN 1.895 nan 8.240 nan 0.000 0.503 324 G N 1.482 110.455 108.800 0.288 0.000 2.591 324 G HA2 -0.261 3.700 3.960 0.001 0.000 0.298 324 G HA3 -0.261 3.700 3.960 0.001 0.000 0.298 324 G C 0.601 175.564 174.900 0.105 0.000 1.195 324 G CA 1.079 46.263 45.100 0.140 0.000 0.989 324 G HN 1.640 nan 8.290 nan 0.000 0.551 325 I N -0.313 120.190 120.570 -0.112 0.000 3.875 325 I HA 0.528 4.698 4.170 0.001 0.000 0.329 325 I C 0.934 176.929 176.117 -0.203 0.000 1.295 325 I CA -0.655 60.539 61.300 -0.176 0.000 1.129 325 I CB -0.188 37.671 38.000 -0.234 0.000 1.008 325 I HN 0.334 nan 8.210 nan 0.000 0.413 326 V N 2.051 121.875 119.914 -0.149 0.000 2.686 326 V HA 0.750 4.870 4.120 0.001 0.000 0.295 326 V C 0.870 176.874 176.094 -0.150 0.000 1.055 326 V CA 0.167 62.421 62.300 -0.076 0.000 1.050 326 V CB 0.545 32.394 31.823 0.043 0.000 0.984 326 V HN 0.567 nan 8.190 nan 0.000 0.482 327 G N 2.780 111.566 108.800 -0.023 0.000 2.742 327 G HA2 0.643 4.604 3.960 0.001 0.000 0.296 327 G HA3 0.643 4.604 3.960 0.001 0.000 0.296 327 G C -1.997 173.036 174.900 0.222 0.000 1.436 327 G CA -0.426 44.661 45.100 -0.022 0.000 0.928 327 G HN 0.492 nan 8.290 nan 0.000 0.520 328 F N 1.172 121.153 119.950 0.052 0.000 2.605 328 F HA 0.510 5.038 4.527 0.001 0.000 0.320 328 F C 0.369 176.183 175.800 0.025 0.000 1.159 328 F CA -0.420 57.625 58.000 0.076 0.000 0.999 328 F CB 2.137 41.163 39.000 0.044 0.000 1.258 328 F HN 0.499 nan 8.300 nan 0.000 0.464 329 T N 4.360 118.709 114.554 -0.342 0.000 2.871 329 T HA 0.387 4.738 4.350 0.001 0.000 0.296 329 T C 0.949 175.679 174.700 0.049 0.000 0.998 329 T CA 1.648 63.660 62.100 -0.147 0.000 1.162 329 T CB 0.185 68.912 68.868 -0.235 0.000 0.947 329 T HN 1.256 nan 8.240 nan 0.000 0.536 330 G N 2.063 110.899 108.800 0.060 0.000 2.175 330 G HA2 -0.254 3.706 3.960 0.001 0.000 0.244 330 G HA3 -0.254 3.706 3.960 0.001 0.000 0.244 330 G C 0.377 175.321 174.900 0.074 0.000 0.982 330 G CA -0.148 44.994 45.100 0.070 0.000 0.641 330 G HN 0.833 nan 8.290 nan 0.000 0.527 331 C N 1.971 121.341 119.300 0.117 0.000 2.330 331 C HA 0.581 5.042 4.460 0.001 0.000 0.344 331 C C 0.989 175.998 174.990 0.032 0.000 1.273 331 C CA -1.005 58.046 59.018 0.055 0.000 1.879 331 C CB 0.799 28.609 27.740 0.116 0.000 2.376 331 C HN 0.467 nan 8.230 nan 0.000 0.534 332 K N 1.955 122.301 120.400 -0.090 0.000 2.485 332 K HA 0.124 4.444 4.320 0.001 0.000 0.277 332 K C -0.244 176.433 176.600 0.128 0.000 0.990 332 K CA 0.645 56.899 56.287 -0.054 0.000 0.994 332 K CB 0.168 32.501 32.500 -0.278 0.000 0.906 332 K HN 0.757 nan 8.250 nan 0.000 0.488 333 H N 2.207 121.314 119.070 0.061 0.000 2.589 333 H HA 0.362 4.919 4.556 0.001 0.000 0.351 333 H C -1.200 174.190 175.328 0.105 0.000 1.074 333 H CA -0.698 55.406 56.048 0.094 0.000 1.203 333 H CB 0.705 30.505 29.762 0.063 0.000 1.558 333 H HN 0.424 nan 8.280 nan 0.000 0.522 334 I N 7.986 128.389 120.570 -0.278 0.000 2.307 334 I HA 0.261 4.432 4.170 0.001 0.000 0.289 334 I C -2.120 173.670 176.117 -0.545 0.000 1.021 334 I CA -2.062 59.071 61.300 -0.279 0.000 1.224 334 I CB 1.445 39.411 38.000 -0.057 0.000 1.376 334 I HN 0.486 nan 8.210 nan 0.000 0.470 335 P HA 0.249 nan 4.420 nan 0.000 0.271 335 P C -0.101 177.068 177.300 -0.219 0.000 1.216 335 P CA 0.213 63.086 63.100 -0.378 0.000 0.776 335 P CB 1.075 32.647 31.700 -0.214 0.000 0.881 336 G N 2.261 110.996 108.800 -0.107 0.000 2.542 336 G HA2 0.136 4.096 3.960 0.001 0.000 0.391 336 G HA3 0.136 4.096 3.960 0.001 0.000 0.391 336 G C -0.259 174.652 174.900 0.018 0.000 1.551 336 G CA -0.415 44.658 45.100 -0.045 0.000 0.946 336 G HN 0.617 nan 8.290 nan 0.000 0.662 337 E N 0.940 121.159 120.200 0.032 0.000 2.714 337 E HA 0.277 4.628 4.350 0.001 0.000 0.219 337 E C 1.215 177.850 176.600 0.057 0.000 0.979 337 E CA 0.242 56.672 56.400 0.049 0.000 1.092 337 E CB 0.101 29.822 29.700 0.036 0.000 1.049 337 E HN 0.954 nan 8.360 nan 0.000 0.487 338 I N -3.720 116.880 120.570 0.049 0.000 4.050 338 I HA 0.602 4.773 4.170 0.001 0.000 0.327 338 I C 1.102 177.265 176.117 0.078 0.000 1.473 338 I CA -0.044 61.292 61.300 0.060 0.000 1.124 338 I CB 1.165 39.183 38.000 0.030 0.000 1.129 338 I HN 0.071 nan 8.210 nan 0.000 0.428 339 G N 0.808 109.655 108.800 0.079 0.000 2.143 339 G HA2 -0.218 3.742 3.960 0.001 0.000 0.249 339 G HA3 -0.218 3.742 3.960 0.001 0.000 0.249 339 G C 0.078 175.018 174.900 0.068 0.000 0.981 339 G CA 0.162 45.315 45.100 0.088 0.000 0.665 339 G HN 0.485 nan 8.290 nan 0.000 0.528 340 E N -0.013 120.212 120.200 0.043 0.000 2.409 340 E HA 0.220 4.571 4.350 0.001 0.000 0.257 340 E C 0.665 177.282 176.600 0.029 0.000 1.150 340 E CA -0.558 55.869 56.400 0.045 0.000 0.942 340 E CB 0.273 29.990 29.700 0.029 0.000 0.979 340 E HN 0.491 nan 8.360 nan 0.000 0.447 341 H N 1.300 120.352 119.070 -0.030 0.000 3.157 341 H HA -0.030 4.527 4.556 0.001 0.000 0.299 341 H C -0.466 174.780 175.328 -0.136 0.000 0.961 341 H CA 0.909 56.921 56.048 -0.060 0.000 1.428 341 H CB 0.055 29.791 29.762 -0.045 0.000 1.459 341 H HN 0.066 nan 8.280 nan 0.000 0.566 342 K N 4.005 123.933 120.400 -0.785 0.000 2.138 342 K HA 0.145 4.465 4.320 0.001 0.000 0.263 342 K C -0.664 175.232 176.600 -1.173 0.000 0.965 342 K CA -1.020 54.743 56.287 -0.873 0.000 0.868 342 K CB 1.150 33.105 32.500 -0.909 0.000 1.083 342 K HN 0.605 nan 8.250 nan 0.000 0.443 343 D N 2.355 122.288 120.400 -0.778 0.000 2.411 343 D HA 0.114 4.754 4.640 0.001 0.000 0.225 343 D C -0.508 175.534 176.300 -0.429 0.000 1.156 343 D CA -0.377 53.338 54.000 -0.476 0.000 0.874 343 D CB 0.251 40.926 40.800 -0.207 0.000 1.034 343 D HN 0.308 nan 8.370 nan 0.000 0.502 344 F N 1.477 121.346 119.950 -0.134 0.000 2.660 344 F HA 0.034 4.561 4.527 0.001 0.000 0.302 344 F C 2.462 178.205 175.800 -0.095 0.000 1.103 344 F CA -0.135 57.788 58.000 -0.128 0.000 1.340 344 F CB -0.342 38.575 39.000 -0.139 0.000 1.048 344 F HN 0.343 nan 8.300 nan 0.000 0.551 345 S N 0.504 116.246 115.700 0.071 0.000 2.370 345 S HA -0.249 4.221 4.470 0.001 0.000 0.226 345 S C 2.361 176.988 174.600 0.044 0.000 1.033 345 S CA 1.254 59.486 58.200 0.053 0.000 1.011 345 S CB -0.556 62.667 63.200 0.038 0.000 0.852 345 S HN 0.259 nan 8.310 nan 0.000 0.457 346 A N 1.584 124.432 122.820 0.047 0.000 1.898 346 A HA 0.163 4.484 4.320 0.001 0.000 0.216 346 A C 2.297 179.908 177.584 0.046 0.000 1.181 346 A CA 1.262 53.342 52.037 0.071 0.000 0.620 346 A CB -0.849 18.224 19.000 0.120 0.000 0.819 346 A HN 0.653 nan 8.150 nan 0.000 0.442 347 I N -0.496 120.009 120.570 -0.109 0.000 2.315 347 I HA -0.205 3.966 4.170 0.001 0.000 0.248 347 I C 2.096 178.121 176.117 -0.153 0.000 1.117 347 I CA 1.234 62.304 61.300 -0.382 0.000 1.404 347 I CB -0.070 37.471 38.000 -0.765 0.000 1.071 347 I HN 0.353 nan 8.210 nan 0.000 0.419 348 I N 0.836 121.366 120.570 -0.067 0.000 2.252 348 I HA -0.254 3.917 4.170 0.001 0.000 0.245 348 I C 2.745 178.872 176.117 0.015 0.000 1.102 348 I CA 1.236 62.519 61.300 -0.029 0.000 1.385 348 I CB -0.589 37.407 38.000 -0.006 0.000 1.064 348 I HN 0.253 nan 8.210 nan 0.000 0.414 349 A N -0.155 122.690 122.820 0.042 0.000 1.902 349 A HA -0.303 4.018 4.320 0.001 0.000 0.217 349 A C 2.230 179.883 177.584 0.114 0.000 1.181 349 A CA 1.940 54.013 52.037 0.061 0.000 0.623 349 A CB -1.193 17.840 19.000 0.054 0.000 0.818 349 A HN 0.550 nan 8.150 nan 0.000 0.443 350 H N -0.697 118.383 119.070 0.017 0.000 2.321 350 H HA -0.052 4.504 4.556 0.001 0.000 0.300 350 H C 2.333 177.673 175.328 0.020 0.000 1.087 350 H CA 1.050 57.124 56.048 0.045 0.000 1.319 350 H CB -0.013 29.815 29.762 0.111 0.000 1.379 350 H HN 0.474 nan 8.280 nan 0.000 0.501 351 A N 1.192 124.050 122.820 0.064 0.000 1.940 351 A HA -0.193 4.128 4.320 0.001 0.000 0.219 351 A C 2.214 179.803 177.584 0.008 0.000 1.176 351 A CA 1.719 53.741 52.037 -0.024 0.000 0.631 351 A CB -0.371 18.602 19.000 -0.045 0.000 0.814 351 A HN 0.455 nan 8.150 nan 0.000 0.446 352 K N -0.567 119.851 120.400 0.031 0.000 2.209 352 K HA -0.113 4.208 4.320 0.001 0.000 0.204 352 K C 1.845 178.462 176.600 0.029 0.000 1.048 352 K CA 1.626 57.926 56.287 0.022 0.000 0.940 352 K CB -0.307 32.207 32.500 0.023 0.000 0.729 352 K HN 0.748 nan 8.250 nan 0.000 0.451 353 T N -2.187 112.404 114.554 0.062 0.000 3.129 353 T HA 0.087 4.438 4.350 0.001 0.000 0.251 353 T C 0.846 175.575 174.700 0.049 0.000 1.117 353 T CA -0.322 61.816 62.100 0.062 0.000 1.034 353 T CB -0.374 68.550 68.868 0.094 0.000 0.968 353 T HN -0.003 nan 8.240 nan 0.000 0.526 354 C N 2.602 121.915 119.300 0.021 0.000 2.351 354 C HA 0.667 5.128 4.460 0.001 0.000 0.359 354 C C -2.076 172.873 174.990 -0.068 0.000 1.193 354 C CA -1.622 57.381 59.018 -0.026 0.000 2.270 354 C CB 1.194 28.889 27.740 -0.075 0.000 2.369 354 C HN 0.363 nan 8.230 nan 0.000 0.553 355 P HA 0.310 nan 4.420 nan 0.000 0.272 355 P C -0.509 176.675 177.300 -0.194 0.000 1.230 355 P CA -0.010 63.021 63.100 -0.114 0.000 0.788 355 P CB 0.313 31.951 31.700 -0.104 0.000 0.949 356 A N 2.975 125.690 122.820 -0.176 0.000 2.429 356 A HA 0.351 4.671 4.320 0.001 0.000 0.242 356 A C -2.084 175.281 177.584 -0.366 0.000 1.088 356 A CA -0.871 51.022 52.037 -0.240 0.000 0.784 356 A CB -1.568 17.354 19.000 -0.130 0.000 1.038 356 A HN 0.420 nan 8.150 nan 0.000 0.501 357 P HA 0.168 nan 4.420 nan 0.000 0.269 357 P C -0.329 176.806 177.300 -0.274 0.000 1.209 357 P CA 0.199 62.900 63.100 -0.666 0.000 0.776 357 P CB 0.334 31.433 31.700 -1.001 0.000 0.876 358 T N 2.360 116.817 114.554 -0.162 0.000 2.779 358 T HA 0.082 4.433 4.350 0.001 0.000 0.296 358 T C 0.229 174.993 174.700 0.106 0.000 0.938 358 T CA -0.161 61.929 62.100 -0.017 0.000 1.119 358 T CB -0.105 68.764 68.868 0.002 0.000 0.891 358 T HN 0.392 nan 8.240 nan 0.000 0.526 359 E N 2.696 122.940 120.200 0.072 0.000 2.344 359 E HA 0.148 4.499 4.350 0.001 0.000 0.270 359 E C 0.925 177.546 176.600 0.036 0.000 1.021 359 E CA -0.151 56.304 56.400 0.092 0.000 0.887 359 E CB 0.339 30.073 29.700 0.055 0.000 0.997 359 E HN 0.729 nan 8.360 nan 0.000 0.429 360 I N 0.293 120.849 120.570 -0.024 0.000 4.323 360 I HA 0.369 4.539 4.170 0.001 0.000 0.328 360 I C -0.103 175.952 176.117 -0.103 0.000 1.310 360 I CA -0.318 60.924 61.300 -0.096 0.000 1.186 360 I CB 0.428 38.313 38.000 -0.191 0.000 1.130 360 I HN 0.254 nan 8.210 nan 0.000 0.411 361 E N 1.145 121.293 120.200 -0.088 0.000 2.412 361 E HA 0.572 4.922 4.350 0.001 0.000 0.279 361 E C -1.209 175.379 176.600 -0.021 0.000 0.984 361 E CA -0.735 55.628 56.400 -0.062 0.000 0.788 361 E CB 2.364 32.010 29.700 -0.090 0.000 1.277 361 E HN 0.297 nan 8.360 nan 0.000 0.455 362 S N -0.198 115.497 115.700 -0.009 0.000 2.627 362 S HA 0.969 5.440 4.470 0.001 0.000 0.283 362 S C 0.232 174.836 174.600 0.006 0.000 1.127 362 S CA -0.013 58.191 58.200 0.008 0.000 0.863 362 S CB 2.196 65.403 63.200 0.012 0.000 1.121 362 S HN 1.083 nan 8.310 nan 0.000 0.479 363 G N 0.742 109.548 108.800 0.011 0.000 2.341 363 G HA2 0.280 4.241 3.960 0.001 0.000 0.196 363 G HA3 0.280 4.241 3.960 0.001 0.000 0.196 363 G C -1.171 173.734 174.900 0.008 0.000 1.231 363 G CA -0.019 45.087 45.100 0.010 0.000 1.155 363 G HN 1.538 nan 8.290 nan 0.000 0.529 364 E N -1.280 118.925 120.200 0.009 0.000 2.433 364 E HA 0.723 5.073 4.350 0.001 0.000 0.278 364 E C -1.361 175.248 176.600 0.016 0.000 0.976 364 E CA -1.168 55.236 56.400 0.006 0.000 0.793 364 E CB 2.213 31.918 29.700 0.009 0.000 1.311 364 E HN 0.698 nan 8.360 nan 0.000 0.460 365 I N 2.010 122.591 120.570 0.018 0.000 2.433 365 I HA 0.423 4.594 4.170 0.001 0.000 0.292 365 I C -0.445 175.714 176.117 0.070 0.000 1.001 365 I CA -1.069 60.257 61.300 0.042 0.000 1.119 365 I CB 1.874 39.898 38.000 0.041 0.000 1.289 365 I HN 0.548 nan 8.210 nan 0.000 0.438 366 I N 4.831 125.449 120.570 0.080 0.000 2.392 366 I HA 0.766 4.936 4.170 0.001 0.000 0.295 366 I C 0.183 176.351 176.117 0.085 0.000 0.985 366 I CA 0.283 61.634 61.300 0.085 0.000 1.221 366 I CB 1.286 39.347 38.000 0.103 0.000 1.366 366 I HN 0.748 nan 8.210 nan 0.000 0.467 367 G N 2.997 111.733 108.800 -0.106 0.000 2.634 367 G HA2 0.522 4.483 3.960 0.001 0.000 0.309 367 G HA3 0.522 4.483 3.960 0.001 0.000 0.309 367 G C -0.103 174.124 174.900 -1.121 0.000 1.299 367 G CA -0.159 44.673 45.100 -0.446 0.000 0.798 367 G HN 1.120 nan 8.290 nan 0.000 0.490 368 G N -1.698 106.273 108.800 -1.381 0.000 2.141 368 G HA2 -0.119 3.841 3.960 0.001 0.000 0.164 368 G HA3 -0.119 3.841 3.960 0.001 0.000 0.164 368 G C 0.077 174.634 174.900 -0.571 0.000 1.009 368 G CA 0.178 44.697 45.100 -0.969 0.000 0.677 368 G HN 0.860 nan 8.290 nan 0.000 0.508 369 F N 2.061 121.872 119.950 -0.232 0.000 2.752 369 F HA 0.642 5.169 4.527 0.001 0.000 0.332 369 F C 1.398 177.165 175.800 -0.054 0.000 1.188 369 F CA 0.110 58.045 58.000 -0.110 0.000 1.296 369 F CB 0.034 38.992 39.000 -0.070 0.000 1.526 369 F HN 0.408 nan 8.300 nan 0.000 0.576 370 A N -0.134 122.697 122.820 0.020 0.000 2.250 370 A HA 0.243 4.563 4.320 0.001 0.000 0.283 370 A C 1.449 179.034 177.584 0.002 0.000 1.206 370 A CA 0.054 52.111 52.037 0.032 0.000 0.840 370 A CB 0.039 19.027 19.000 -0.020 0.000 1.220 370 A HN 0.705 nan 8.150 nan 0.000 0.505 371 H N -0.879 118.221 119.070 0.050 0.000 2.357 371 H HA -0.104 4.452 4.556 0.001 0.000 0.301 371 H C 1.630 176.933 175.328 -0.043 0.000 1.082 371 H CA 1.646 57.696 56.048 0.003 0.000 1.342 371 H CB -0.251 29.507 29.762 -0.007 0.000 1.389 371 H HN 0.659 nan 8.280 nan 0.000 0.511 372 N N 0.203 118.691 118.700 -0.354 0.000 2.120 372 N HA -0.243 4.498 4.740 0.001 0.000 0.188 372 N C 2.017 177.426 175.510 -0.169 0.000 1.024 372 N CA 1.547 54.409 53.050 -0.313 0.000 0.852 372 N CB -0.017 38.033 38.487 -0.729 0.000 1.003 372 N HN 0.476 nan 8.380 nan 0.000 0.424 373 Q N 0.828 120.538 119.800 -0.150 0.000 2.079 373 Q HA -0.018 4.322 4.340 0.001 0.000 0.200 373 Q C 1.986 177.976 176.000 -0.017 0.000 0.974 373 Q CA 1.305 57.041 55.803 -0.111 0.000 0.840 373 Q CB -0.261 28.362 28.738 -0.192 0.000 0.898 373 Q HN 0.189 nan 8.270 nan 0.000 0.430 374 V N 0.164 120.104 119.914 0.042 0.000 2.427 374 V HA -0.192 3.928 4.120 0.001 0.000 0.248 374 V C 2.048 178.173 176.094 0.052 0.000 1.051 374 V CA 1.246 63.606 62.300 0.101 0.000 1.048 374 V CB -0.472 31.416 31.823 0.108 0.000 0.666 374 V HN 0.290 nan 8.190 nan 0.000 0.456 375 L N 0.472 121.709 121.223 0.024 0.000 2.141 375 L HA -0.036 4.304 4.340 0.001 0.000 0.209 375 L C 2.501 179.371 176.870 -0.000 0.000 1.094 375 L CA 1.965 56.811 54.840 0.010 0.000 0.763 375 L CB -1.022 41.042 42.059 0.008 0.000 0.908 375 L HN 0.290 nan 8.230 nan 0.000 0.437 376 A N -1.190 121.622 122.820 -0.013 0.000 2.067 376 A HA -0.027 4.294 4.320 0.001 0.000 0.219 376 A C 1.925 179.513 177.584 0.007 0.000 1.158 376 A CA 0.992 53.020 52.037 -0.015 0.000 0.661 376 A CB -0.501 18.478 19.000 -0.036 0.000 0.801 376 A HN 0.394 nan 8.150 nan 0.000 0.452 377 L N -1.010 120.232 121.223 0.031 0.000 2.741 377 L HA 0.209 4.550 4.340 0.001 0.000 0.237 377 L C 2.316 179.218 176.870 0.054 0.000 1.178 377 L CA 0.269 55.142 54.840 0.055 0.000 0.973 377 L CB 0.001 42.122 42.059 0.103 0.000 1.255 377 L HN 0.348 nan 8.230 nan 0.000 0.498 378 A N 1.091 123.933 122.820 0.036 0.000 1.940 378 A HA -0.248 4.073 4.320 0.001 0.000 0.219 378 A C 2.072 179.675 177.584 0.032 0.000 1.176 378 A CA 2.023 54.080 52.037 0.033 0.000 0.631 378 A CB -0.347 18.660 19.000 0.010 0.000 0.814 378 A HN 0.606 nan 8.150 nan 0.000 0.446 379 D N -0.059 120.354 120.400 0.021 0.000 2.117 379 D HA -0.203 4.438 4.640 0.001 0.000 0.197 379 D C 1.441 177.762 176.300 0.035 0.000 0.987 379 D CA 1.418 55.428 54.000 0.017 0.000 0.829 379 D CB -0.412 40.393 40.800 0.009 0.000 0.961 379 D HN 0.263 nan 8.370 nan 0.000 0.460 380 K N 0.587 121.014 120.400 0.045 0.000 2.057 380 K HA 0.002 4.322 4.320 0.001 0.000 0.206 380 K C 2.504 179.150 176.600 0.076 0.000 1.050 380 K CA 0.447 56.767 56.287 0.054 0.000 0.935 380 K CB -0.695 31.840 32.500 0.058 0.000 0.715 380 K HN 0.197 nan 8.250 nan 0.000 0.439 381 V N 1.757 121.729 119.914 0.098 0.000 2.307 381 V HA -0.183 3.937 4.120 0.001 0.000 0.245 381 V C 2.385 178.588 176.094 0.182 0.000 1.045 381 V CA 1.368 63.758 62.300 0.150 0.000 1.024 381 V CB -0.396 31.525 31.823 0.164 0.000 0.651 381 V HN 0.150 nan 8.190 nan 0.000 0.449 382 I N 0.110 120.768 120.570 0.146 0.000 2.226 382 I HA -0.231 3.940 4.170 0.001 0.000 0.245 382 I C 2.304 178.507 176.117 0.144 0.000 1.100 382 I CA 1.559 62.956 61.300 0.161 0.000 1.374 382 I CB -0.509 37.499 38.000 0.014 0.000 1.057 382 I HN 0.290 nan 8.210 nan 0.000 0.413 383 D N 1.048 121.499 120.400 0.085 0.000 2.123 383 D HA -0.178 4.462 4.640 0.001 0.000 0.196 383 D C 2.254 178.599 176.300 0.074 0.000 0.992 383 D CA 1.687 55.727 54.000 0.066 0.000 0.833 383 D CB -0.153 40.672 40.800 0.042 0.000 0.954 383 D HN 0.368 nan 8.370 nan 0.000 0.455 384 A N 0.277 123.143 122.820 0.077 0.000 1.930 384 A HA -0.108 4.213 4.320 0.001 0.000 0.217 384 A C 2.520 180.133 177.584 0.050 0.000 1.175 384 A CA 1.099 53.165 52.037 0.048 0.000 0.627 384 A CB -0.581 18.439 19.000 0.033 0.000 0.815 384 A HN 0.154 nan 8.150 nan 0.000 0.443 385 V N 0.057 120.042 119.914 0.118 0.000 2.358 385 V HA -0.240 3.880 4.120 0.001 0.000 0.246 385 V C 2.406 178.576 176.094 0.126 0.000 1.047 385 V CA 2.280 64.650 62.300 0.117 0.000 1.035 385 V CB -0.645 31.323 31.823 0.240 0.000 0.658 385 V HN 0.531 nan 8.190 nan 0.000 0.452 386 K N 0.894 121.410 120.400 0.194 0.000 2.097 386 K HA -0.139 4.181 4.320 0.001 0.000 0.206 386 K C 2.280 178.931 176.600 0.084 0.000 1.049 386 K CA 1.723 58.110 56.287 0.167 0.000 0.933 386 K CB -0.298 32.291 32.500 0.148 0.000 0.717 386 K HN 0.624 nan 8.250 nan 0.000 0.442 387 S N -0.899 114.836 115.700 0.057 0.000 2.527 387 S HA 0.068 4.539 4.470 0.001 0.000 0.222 387 S C 1.496 176.101 174.600 0.009 0.000 0.985 387 S CA 0.603 58.820 58.200 0.028 0.000 0.921 387 S CB 0.305 63.517 63.200 0.019 0.000 0.772 387 S HN 0.448 nan 8.310 nan 0.000 0.529 388 G N 0.589 109.390 108.800 0.002 0.000 2.175 388 G HA2 -0.231 3.729 3.960 0.001 0.000 0.244 388 G HA3 -0.231 3.729 3.960 0.001 0.000 0.244 388 G C 1.031 175.904 174.900 -0.046 0.000 0.982 388 G CA 0.242 45.327 45.100 -0.025 0.000 0.641 388 G HN 1.185 nan 8.290 nan 0.000 0.527 389 A N -0.445 122.351 122.820 -0.039 0.000 1.940 389 A HA 0.381 4.701 4.320 0.001 0.000 0.219 389 A C 1.241 178.766 177.584 -0.097 0.000 1.176 389 A CA 1.490 53.493 52.037 -0.056 0.000 0.631 389 A CB -0.095 18.883 19.000 -0.036 0.000 0.814 389 A HN 0.888 nan 8.150 nan 0.000 0.446 390 I N -0.297 120.199 120.570 -0.123 0.000 2.354 390 I HA 0.205 4.376 4.170 0.001 0.000 0.286 390 I C 0.577 176.559 176.117 -0.225 0.000 1.007 390 I CA -0.539 60.620 61.300 -0.235 0.000 1.167 390 I CB 1.784 39.568 38.000 -0.359 0.000 1.320 390 I HN 0.017 nan 8.210 nan 0.000 0.458 391 K N 3.729 124.007 120.400 -0.204 0.000 2.284 391 K HA 0.201 4.522 4.320 0.001 0.000 0.198 391 K C 0.288 176.804 176.600 -0.141 0.000 1.048 391 K CA 0.551 56.753 56.287 -0.141 0.000 0.987 391 K CB 0.291 32.733 32.500 -0.096 0.000 0.800 391 K HN 0.348 nan 8.250 nan 0.000 0.486 392 K N -0.461 119.810 120.400 -0.215 0.000 2.546 392 K HA 0.350 4.671 4.320 0.001 0.000 0.264 392 K C -1.639 174.774 176.600 -0.310 0.000 0.937 392 K CA -0.408 55.805 56.287 -0.123 0.000 0.833 392 K CB 1.118 33.704 32.500 0.143 0.000 1.378 392 K HN -0.252 nan 8.250 nan 0.000 0.432 393 F N 1.650 121.597 119.950 -0.004 0.000 2.422 393 F HA 0.574 5.101 4.527 0.001 0.000 0.333 393 F C -0.257 175.523 175.800 -0.034 0.000 1.095 393 F CA -0.836 57.145 58.000 -0.032 0.000 1.038 393 F CB 1.740 40.693 39.000 -0.078 0.000 1.156 393 F HN -0.018 nan 8.300 nan 0.000 0.483 394 V N 3.533 123.550 119.914 0.172 0.000 2.409 394 V HA 0.268 4.389 4.120 0.001 0.000 0.290 394 V C -0.488 175.639 176.094 0.055 0.000 1.017 394 V CA -0.919 61.452 62.300 0.119 0.000 0.841 394 V CB 1.340 33.333 31.823 0.283 0.000 1.003 394 V HN 0.504 nan 8.190 nan 0.000 0.426 395 V N 6.855 126.733 119.914 -0.060 0.000 2.415 395 V HA 0.217 4.338 4.120 0.001 0.000 0.267 395 V C 0.781 176.929 176.094 0.089 0.000 1.042 395 V CA 0.464 62.764 62.300 -0.000 0.000 1.000 395 V CB 0.775 32.572 31.823 -0.043 0.000 1.015 395 V HN 0.901 nan 8.190 nan 0.000 0.478 396 M N 4.057 123.728 119.600 0.118 0.000 2.685 396 M HA 0.356 4.837 4.480 0.001 0.000 0.355 396 M C 0.750 177.192 176.300 0.237 0.000 1.197 396 M CA -0.178 55.217 55.300 0.158 0.000 0.947 396 M CB 0.763 33.383 32.600 0.033 0.000 1.346 396 M HN 0.682 nan 8.290 nan 0.000 0.516 397 A N 0.641 123.587 122.820 0.209 0.000 2.366 397 A HA 0.726 5.046 4.320 0.001 0.000 0.250 397 A C 0.894 178.595 177.584 0.195 0.000 1.099 397 A CA 0.869 53.034 52.037 0.214 0.000 0.794 397 A CB -0.037 19.083 19.000 0.200 0.000 1.056 397 A HN 0.646 nan 8.150 nan 0.000 0.499 398 G N -1.780 107.146 108.800 0.210 0.000 2.236 398 G HA2 0.215 4.175 3.960 0.001 0.000 0.231 398 G HA3 0.215 4.175 3.960 0.001 0.000 0.231 398 G C -0.573 174.472 174.900 0.242 0.000 1.334 398 G CA -0.236 45.001 45.100 0.227 0.000 1.137 398 G HN 1.473 nan 8.290 nan 0.000 0.482 399 C N 0.527 119.979 119.300 0.253 0.000 2.411 399 C HA 0.757 5.218 4.460 0.001 0.000 0.330 399 C C 0.302 175.433 174.990 0.235 0.000 1.224 399 C CA -0.432 58.766 59.018 0.301 0.000 1.770 399 C CB 1.115 29.078 27.740 0.372 0.000 2.297 399 C HN 0.782 nan 8.230 nan 0.000 0.507 400 D N -0.110 120.471 120.400 0.300 0.000 2.423 400 D HA 0.706 5.346 4.640 0.001 0.000 0.255 400 D C 0.322 176.723 176.300 0.168 0.000 1.174 400 D CA 0.566 54.694 54.000 0.213 0.000 1.008 400 D CB 1.482 42.455 40.800 0.288 0.000 1.101 400 D HN 0.881 nan 8.370 nan 0.000 0.516 401 G N -0.491 108.156 108.800 -0.255 0.000 2.554 401 G HA2 0.201 4.161 3.960 0.001 0.000 0.306 401 G HA3 0.201 4.161 3.960 0.001 0.000 0.306 401 G C 0.128 174.169 174.900 -1.431 0.000 1.320 401 G CA -0.573 44.134 45.100 -0.655 0.000 0.800 401 G HN 0.380 nan 8.290 nan 0.000 0.481 402 R N -0.179 119.635 120.500 -1.144 0.000 2.153 402 R HA 0.267 4.608 4.340 0.001 0.000 0.218 402 R C 1.535 177.359 176.300 -0.792 0.000 1.072 402 R CA 0.786 56.162 56.100 -1.207 0.000 0.990 402 R CB -0.155 29.817 30.300 -0.546 0.000 0.889 402 R HN 0.582 nan 8.270 nan 0.000 0.452 403 A N 1.814 124.350 122.820 -0.473 0.000 2.548 403 A HA -0.043 4.278 4.320 0.001 0.000 0.247 403 A C 0.602 178.043 177.584 -0.239 0.000 1.067 403 A CA 0.240 52.121 52.037 -0.261 0.000 0.757 403 A CB 0.265 19.176 19.000 -0.148 0.000 0.996 403 A HN 0.246 nan 8.150 nan 0.000 0.504 404 K N 1.710 122.012 120.400 -0.163 0.000 2.283 404 K HA -0.120 4.200 4.320 0.001 0.000 0.202 404 K C 2.106 178.684 176.600 -0.037 0.000 1.048 404 K CA 1.390 57.618 56.287 -0.099 0.000 0.948 404 K CB -0.056 32.407 32.500 -0.062 0.000 0.742 404 K HN 0.918 nan 8.250 nan 0.000 0.458 405 S N 1.006 116.686 115.700 -0.032 0.000 2.440 405 S HA -0.157 4.313 4.470 0.001 0.000 0.238 405 S C 1.678 176.310 174.600 0.053 0.000 1.010 405 S CA 0.812 59.014 58.200 0.003 0.000 0.972 405 S CB -0.234 62.955 63.200 -0.019 0.000 0.774 405 S HN 0.274 nan 8.310 nan 0.000 0.501 406 R N 1.666 122.209 120.500 0.070 0.000 2.316 406 R HA 0.039 4.379 4.340 0.001 0.000 0.202 406 R C 2.454 178.911 176.300 0.261 0.000 1.029 406 R CA 0.855 57.094 56.100 0.232 0.000 1.018 406 R CB -0.484 29.921 30.300 0.176 0.000 0.888 406 R HN 0.749 nan 8.270 nan 0.000 0.471 407 S N 0.228 116.020 115.700 0.153 0.000 2.420 407 S HA -0.290 4.180 4.470 0.001 0.000 0.237 407 S C 1.776 176.470 174.600 0.157 0.000 1.023 407 S CA 1.079 59.368 58.200 0.148 0.000 0.991 407 S CB -0.563 62.692 63.200 0.091 0.000 0.792 407 S HN 0.530 nan 8.310 nan 0.000 0.488 408 Y N 1.936 122.225 120.300 -0.019 0.000 2.096 408 Y HA -0.329 4.222 4.550 0.001 0.000 0.278 408 Y C 1.963 177.810 175.900 -0.087 0.000 1.192 408 Y CA 1.954 59.979 58.100 -0.124 0.000 1.143 408 Y CB -0.804 37.457 38.460 -0.332 0.000 0.963 408 Y HN 0.276 nan 8.280 nan 0.000 0.505 409 Y N -0.298 120.203 120.300 0.334 0.000 2.242 409 Y HA -0.174 4.376 4.550 0.001 0.000 0.291 409 Y C 2.662 178.728 175.900 0.277 0.000 1.137 409 Y CA 1.739 60.020 58.100 0.303 0.000 1.181 409 Y CB -1.040 37.672 38.460 0.420 0.000 0.989 409 Y HN 0.088 nan 8.280 nan 0.000 0.527 410 T N -0.373 114.395 114.554 0.358 0.000 2.708 410 T HA -0.163 4.188 4.350 0.001 0.000 0.266 410 T C 1.306 176.091 174.700 0.142 0.000 1.037 410 T CA 1.700 63.960 62.100 0.267 0.000 1.146 410 T CB -0.364 68.624 68.868 0.201 0.000 0.865 410 T HN 0.270 nan 8.240 nan 0.000 0.435 411 D N 0.395 120.832 120.400 0.062 0.000 2.144 411 D HA -0.012 4.629 4.640 0.001 0.000 0.200 411 D C 1.683 177.940 176.300 -0.072 0.000 0.978 411 D CA 0.572 54.560 54.000 -0.019 0.000 0.833 411 D CB -0.449 40.323 40.800 -0.047 0.000 0.961 411 D HN 0.316 nan 8.370 nan 0.000 0.470 412 F N 1.701 121.478 119.950 -0.287 0.000 2.102 412 F HA -0.163 4.364 4.527 0.001 0.000 0.298 412 F C 2.245 177.960 175.800 -0.141 0.000 1.105 412 F CA 1.591 59.408 58.000 -0.306 0.000 1.239 412 F CB -0.182 38.521 39.000 -0.495 0.000 0.991 412 F HN -0.059 nan 8.300 nan 0.000 0.474 413 A N 0.049 122.946 122.820 0.128 0.000 1.883 413 A HA -0.224 4.097 4.320 0.001 0.000 0.217 413 A C 2.105 179.653 177.584 -0.061 0.000 1.186 413 A CA 1.968 54.020 52.037 0.026 0.000 0.624 413 A CB -0.916 18.123 19.000 0.065 0.000 0.822 413 A HN 0.563 nan 8.150 nan 0.000 0.444 414 E N -1.003 119.173 120.200 -0.039 0.000 2.204 414 E HA -0.074 4.277 4.350 0.001 0.000 0.194 414 E C 1.855 178.378 176.600 -0.128 0.000 0.989 414 E CA 0.623 56.987 56.400 -0.060 0.000 0.824 414 E CB -0.213 29.472 29.700 -0.025 0.000 0.756 414 E HN 0.625 nan 8.360 nan 0.000 0.477 415 G N 0.647 109.327 108.800 -0.200 0.000 2.880 415 G HA2 0.054 4.015 3.960 0.001 0.000 0.209 415 G HA3 0.054 4.015 3.960 0.001 0.000 0.209 415 G C 0.664 175.354 174.900 -0.350 0.000 1.157 415 G CA -0.307 44.637 45.100 -0.261 0.000 0.779 415 G HN 0.003 nan 8.290 nan 0.000 0.539 416 L N 1.386 122.378 121.223 -0.385 0.000 2.483 416 L HA 0.188 4.528 4.340 0.001 0.000 0.276 416 L C -1.714 174.964 176.870 -0.320 0.000 1.213 416 L CA -1.529 53.056 54.840 -0.425 0.000 0.843 416 L CB 0.588 42.453 42.059 -0.323 0.000 1.107 416 L HN -0.020 nan 8.230 nan 0.000 0.487 417 P HA -0.005 nan 4.420 nan 0.000 0.268 417 P C -0.002 177.178 177.300 -0.200 0.000 1.208 417 P CA -0.194 62.750 63.100 -0.261 0.000 0.777 417 P CB 0.441 31.968 31.700 -0.289 0.000 0.875 418 K N 1.404 121.711 120.400 -0.155 0.000 2.442 418 K HA -0.098 4.222 4.320 0.001 0.000 0.198 418 K C 0.424 176.950 176.600 -0.123 0.000 1.042 418 K CA 1.185 57.398 56.287 -0.124 0.000 0.958 418 K CB -0.341 32.100 32.500 -0.098 0.000 0.766 418 K HN 0.601 nan 8.250 nan 0.000 0.474 419 D N 0.557 120.874 120.400 -0.139 0.000 2.491 419 D HA -0.024 4.616 4.640 0.001 0.000 0.228 419 D C 0.118 176.311 176.300 -0.178 0.000 1.183 419 D CA -0.253 53.662 54.000 -0.142 0.000 0.827 419 D CB -0.169 40.557 40.800 -0.123 0.000 0.989 419 D HN -0.043 nan 8.370 nan 0.000 0.494 420 T N -3.079 111.368 114.554 -0.179 0.000 2.924 420 T HA 0.687 5.037 4.350 0.001 0.000 0.291 420 T C -0.420 174.178 174.700 -0.170 0.000 1.045 420 T CA -0.863 61.124 62.100 -0.188 0.000 1.015 420 T CB 2.116 70.901 68.868 -0.138 0.000 1.103 420 T HN -0.118 nan 8.240 nan 0.000 0.496 421 V N 2.379 122.181 119.914 -0.187 0.000 2.588 421 V HA 0.465 4.585 4.120 0.001 0.000 0.304 421 V C -0.217 175.885 176.094 0.014 0.000 1.042 421 V CA -0.994 61.245 62.300 -0.102 0.000 0.877 421 V CB 1.663 33.415 31.823 -0.119 0.000 0.996 421 V HN 0.889 nan 8.190 nan 0.000 0.425 422 I N 5.387 125.959 120.570 0.004 0.000 2.395 422 I HA 0.351 4.521 4.170 0.001 0.000 0.289 422 I C -0.435 175.713 176.117 0.051 0.000 1.023 422 I CA -0.154 61.155 61.300 0.015 0.000 1.350 422 I CB 0.967 38.911 38.000 -0.093 0.000 1.409 422 I HN 0.334 nan 8.210 nan 0.000 0.507 423 L N 6.025 127.295 121.223 0.079 0.000 2.296 423 L HA 0.572 4.912 4.340 0.001 0.000 0.286 423 L C 0.034 176.975 176.870 0.119 0.000 1.023 423 L CA -0.203 54.684 54.840 0.079 0.000 0.812 423 L CB 1.674 43.763 42.059 0.050 0.000 1.223 423 L HN 0.561 nan 8.230 nan 0.000 0.421 424 T N 1.904 116.552 114.554 0.157 0.000 2.883 424 T HA 0.906 5.256 4.350 0.001 0.000 0.296 424 T C -1.614 173.204 174.700 0.197 0.000 1.117 424 T CA -0.336 61.894 62.100 0.217 0.000 1.006 424 T CB 2.038 71.111 68.868 0.342 0.000 1.191 424 T HN 0.795 nan 8.240 nan 0.000 0.508 425 A N 0.722 123.665 122.820 0.204 0.000 2.590 425 A HA 0.776 5.097 4.320 0.001 0.000 0.296 425 A C 0.119 177.831 177.584 0.213 0.000 1.050 425 A CA 0.178 52.339 52.037 0.207 0.000 0.697 425 A CB 0.646 19.771 19.000 0.208 0.000 1.277 425 A HN 2.253 nan 8.150 nan 0.000 0.411 426 G N -1.041 107.894 108.800 0.224 0.000 2.781 426 G HA2 0.126 4.087 3.960 0.001 0.000 0.683 426 G HA3 0.126 4.087 3.960 0.001 0.000 0.683 426 G C 0.988 176.018 174.900 0.217 0.000 1.390 426 G CA -0.004 45.249 45.100 0.255 0.000 0.850 426 G HN 2.561 nan 8.290 nan 0.000 0.557 427 C N -0.181 119.293 119.300 0.289 0.000 2.491 427 C HA 0.510 4.970 4.460 0.001 0.000 0.277 427 C C 3.068 178.233 174.990 0.291 0.000 1.455 427 C CA 1.001 60.236 59.018 0.362 0.000 1.758 427 C CB -1.615 26.401 27.740 0.460 0.000 1.745 427 C HN 2.178 nan 8.230 nan 0.000 0.558 428 A N 3.032 125.968 122.820 0.193 0.000 1.997 428 A HA -0.247 4.073 4.320 0.001 0.000 0.221 428 A C 2.350 179.861 177.584 -0.122 0.000 1.172 428 A CA 2.228 54.315 52.037 0.083 0.000 0.645 428 A CB -0.714 18.340 19.000 0.090 0.000 0.813 428 A HN 0.902 nan 8.150 nan 0.000 0.454 429 K N -1.659 118.629 120.400 -0.186 0.000 2.218 429 K HA -0.229 4.092 4.320 0.001 0.000 0.205 429 K C 1.461 177.625 176.600 -0.726 0.000 1.046 429 K CA 1.911 57.867 56.287 -0.553 0.000 0.933 429 K CB -0.647 31.655 32.500 -0.331 0.000 0.728 429 K HN 0.482 nan 8.250 nan 0.000 0.454 430 Y N 1.215 121.343 120.300 -0.288 0.000 2.571 430 Y HA 0.050 4.600 4.550 0.001 0.000 0.294 430 Y C 2.093 177.882 175.900 -0.185 0.000 1.141 430 Y CA 0.472 58.453 58.100 -0.198 0.000 1.308 430 Y CB 0.056 38.443 38.460 -0.122 0.000 1.002 430 Y HN 0.017 nan 8.280 nan 0.000 0.551 431 R N -0.316 120.100 120.500 -0.141 0.000 2.280 431 R HA -0.079 4.261 4.340 0.001 0.000 0.207 431 R C 0.068 176.401 176.300 0.056 0.000 1.043 431 R CA 0.943 57.056 56.100 0.023 0.000 1.006 431 R CB -0.344 30.082 30.300 0.211 0.000 0.885 431 R HN 0.648 nan 8.270 nan 0.000 0.467 432 Y N -2.381 117.997 120.300 0.131 0.000 2.957 432 Y HA 0.270 4.820 4.550 0.001 0.000 0.274 432 Y C 0.432 176.368 175.900 0.060 0.000 1.065 432 Y CA -1.200 56.961 58.100 0.101 0.000 1.273 432 Y CB -0.871 37.664 38.460 0.125 0.000 1.358 432 Y HN -0.129 nan 8.280 nan 0.000 0.585 433 N N 1.232 119.907 118.700 -0.042 0.000 2.270 433 N HA 0.077 4.817 4.740 0.001 0.000 0.198 433 N C 0.090 175.615 175.510 0.025 0.000 1.117 433 N CA -0.035 53.016 53.050 0.001 0.000 0.845 433 N CB 0.090 38.495 38.487 -0.136 0.000 0.980 433 N HN 0.468 nan 8.380 nan 0.000 0.486 434 K N 0.456 120.883 120.400 0.044 0.000 2.792 434 K HA 0.349 4.670 4.320 0.001 0.000 0.207 434 K C -0.282 176.349 176.600 0.051 0.000 1.103 434 K CA -0.187 56.126 56.287 0.043 0.000 1.048 434 K CB 0.821 33.344 32.500 0.037 0.000 0.777 434 K HN 0.063 nan 8.250 nan 0.000 0.468 435 L N -0.365 120.899 121.223 0.069 0.000 2.578 435 L HA 0.414 4.754 4.340 0.001 0.000 0.259 435 L C 0.738 177.635 176.870 0.044 0.000 1.082 435 L CA -0.718 54.160 54.840 0.063 0.000 0.843 435 L CB 0.690 42.803 42.059 0.091 0.000 1.535 435 L HN 0.177 nan 8.230 nan 0.000 0.510 436 N N 0.144 118.863 118.700 0.031 0.000 2.886 436 N HA 0.481 5.221 4.740 0.001 0.000 0.285 436 N C 0.178 175.693 175.510 0.008 0.000 1.706 436 N CA -0.228 52.832 53.050 0.018 0.000 0.904 436 N CB -0.015 38.478 38.487 0.010 0.000 1.224 436 N HN 0.554 nan 8.380 nan 0.000 0.488 437 L N -0.122 121.108 121.223 0.011 0.000 2.477 437 L HA 0.385 4.726 4.340 0.001 0.000 0.220 437 L C 1.733 178.593 176.870 -0.016 0.000 1.106 437 L CA 0.638 55.474 54.840 -0.006 0.000 0.851 437 L CB -0.213 41.846 42.059 -0.001 0.000 0.994 437 L HN 0.745 nan 8.230 nan 0.000 0.462 438 G N 1.436 110.232 108.800 -0.007 0.000 2.553 438 G HA2 -0.240 3.721 3.960 0.001 0.000 0.242 438 G HA3 -0.240 3.721 3.960 0.001 0.000 0.242 438 G C -0.828 174.061 174.900 -0.017 0.000 1.277 438 G CA 0.051 45.144 45.100 -0.011 0.000 0.910 438 G HN 0.426 nan 8.290 nan 0.000 0.576 439 D N -1.174 119.213 120.400 -0.021 0.000 2.570 439 D HA 0.569 5.209 4.640 0.001 0.000 0.244 439 D C -0.841 175.439 176.300 -0.034 0.000 1.178 439 D CA -0.854 53.130 54.000 -0.027 0.000 0.881 439 D CB 1.976 42.771 40.800 -0.009 0.000 1.453 439 D HN 0.651 nan 8.370 nan 0.000 0.447 440 I N 0.580 121.126 120.570 -0.040 0.000 2.405 440 I HA 0.332 4.503 4.170 0.001 0.000 0.280 440 I C 1.069 177.172 176.117 -0.023 0.000 1.027 440 I CA -0.448 60.827 61.300 -0.041 0.000 1.161 440 I CB 1.303 39.265 38.000 -0.064 0.000 1.300 440 I HN 0.847 nan 8.210 nan 0.000 0.463 441 G N 4.336 113.127 108.800 -0.015 0.000 2.341 441 G HA2 -0.166 3.795 3.960 0.001 0.000 0.292 441 G HA3 -0.166 3.795 3.960 0.001 0.000 0.292 441 G C 0.993 175.898 174.900 0.008 0.000 1.021 441 G CA 0.671 45.770 45.100 -0.003 0.000 0.905 441 G HN 1.338 nan 8.290 nan 0.000 0.508 442 G N -1.505 107.301 108.800 0.009 0.000 2.234 442 G HA2 -0.241 3.719 3.960 0.001 0.000 0.235 442 G HA3 -0.241 3.719 3.960 0.001 0.000 0.235 442 G C 0.463 175.383 174.900 0.034 0.000 0.997 442 G CA 0.152 45.267 45.100 0.025 0.000 0.623 442 G HN 1.298 nan 8.290 nan 0.000 0.514 443 I N 3.444 124.021 120.570 0.013 0.000 2.363 443 I HA 0.268 4.439 4.170 0.001 0.000 0.292 443 I C -1.885 174.195 176.117 -0.062 0.000 1.075 443 I CA -1.961 59.330 61.300 -0.015 0.000 1.333 443 I CB 1.040 39.029 38.000 -0.019 0.000 1.415 443 I HN -0.087 nan 8.210 nan 0.000 0.502 444 P HA 0.057 nan 4.420 nan 0.000 0.267 444 P C 0.251 177.473 177.300 -0.129 0.000 1.200 444 P CA -0.080 62.961 63.100 -0.098 0.000 0.772 444 P CB 0.510 32.151 31.700 -0.099 0.000 0.855 445 R N 0.861 121.314 120.500 -0.077 0.000 2.307 445 R HA 0.090 4.430 4.340 0.001 0.000 0.199 445 R C -0.184 176.083 176.300 -0.056 0.000 1.000 445 R CA 0.487 56.544 56.100 -0.072 0.000 1.023 445 R CB 0.066 30.331 30.300 -0.058 0.000 0.908 445 R HN 0.309 nan 8.270 nan 0.000 0.473 446 V N 2.155 122.041 119.914 -0.047 0.000 2.407 446 V HA 0.301 4.421 4.120 0.001 0.000 0.291 446 V C -0.443 175.597 176.094 -0.089 0.000 1.018 446 V CA -0.614 61.683 62.300 -0.005 0.000 0.842 446 V CB 2.020 33.907 31.823 0.106 0.000 0.996 446 V HN 0.089 nan 8.190 nan 0.000 0.426 447 L N 4.070 125.217 121.223 -0.126 0.000 2.295 447 L HA 0.517 4.858 4.340 0.001 0.000 0.281 447 L C -0.523 176.369 176.870 0.037 0.000 1.018 447 L CA -0.384 54.296 54.840 -0.267 0.000 0.841 447 L CB 1.506 43.307 42.059 -0.430 0.000 1.218 447 L HN 0.563 nan 8.230 nan 0.000 0.424 448 D N 2.584 123.084 120.400 0.167 0.000 2.380 448 D HA 0.324 4.965 4.640 0.001 0.000 0.230 448 D C 0.728 177.156 176.300 0.213 0.000 1.154 448 D CA -0.217 53.900 54.000 0.195 0.000 0.859 448 D CB 2.038 42.954 40.800 0.195 0.000 1.045 448 D HN 0.561 nan 8.370 nan 0.000 0.495 449 A N 2.871 125.818 122.820 0.211 0.000 2.119 449 A HA 0.508 4.828 4.320 0.001 0.000 0.216 449 A C 1.331 179.067 177.584 0.255 0.000 1.152 449 A CA 1.132 53.291 52.037 0.203 0.000 0.708 449 A CB -0.175 18.933 19.000 0.179 0.000 0.805 449 A HN 0.819 nan 8.150 nan 0.000 0.460 450 G N -1.462 107.524 108.800 0.310 0.000 2.217 450 G HA2 0.049 4.009 3.960 0.001 0.000 0.126 450 G HA3 0.049 4.009 3.960 0.001 0.000 0.126 450 G C -0.705 174.358 174.900 0.271 0.000 1.293 450 G CA -0.280 45.030 45.100 0.350 0.000 1.219 450 G HN 0.370 nan 8.290 nan 0.000 0.477 451 Q N -0.247 119.715 119.800 0.269 0.000 2.407 451 Q HA 0.354 4.694 4.340 0.001 0.000 0.214 451 Q C 2.145 178.320 176.000 0.292 0.000 1.043 451 Q CA -0.035 55.938 55.803 0.284 0.000 0.983 451 Q CB 1.024 29.966 28.738 0.340 0.000 1.211 451 Q HN 1.036 nan 8.270 nan 0.000 0.564 452 C N -0.326 119.191 119.300 0.361 0.000 2.403 452 C HA -0.172 4.288 4.460 0.001 0.000 0.277 452 C C 1.817 176.960 174.990 0.255 0.000 1.248 452 C CA 0.948 60.173 59.018 0.345 0.000 1.762 452 C CB -1.475 26.522 27.740 0.429 0.000 2.014 452 C HN 0.889 nan 8.230 nan 0.000 0.486 453 N N 1.760 120.531 118.700 0.119 0.000 2.272 453 N HA -0.156 4.584 4.740 0.001 0.000 0.185 453 N C 0.748 176.250 175.510 -0.013 0.000 1.014 453 N CA 1.682 54.544 53.050 -0.313 0.000 0.870 453 N CB -0.806 37.307 38.487 -0.623 0.000 0.975 453 N HN 0.588 nan 8.380 nan 0.000 0.433 454 D N 0.687 121.172 120.400 0.142 0.000 2.363 454 D HA 0.056 4.697 4.640 0.001 0.000 0.226 454 D C 1.006 177.431 176.300 0.208 0.000 1.020 454 D CA 0.123 54.252 54.000 0.214 0.000 0.892 454 D CB 0.050 40.993 40.800 0.238 0.000 0.900 454 D HN 0.207 nan 8.370 nan 0.000 0.531 455 S N 0.410 116.224 115.700 0.189 0.000 2.420 455 S HA -0.225 4.245 4.470 0.001 0.000 0.237 455 S C 1.663 176.360 174.600 0.161 0.000 1.023 455 S CA 0.541 58.846 58.200 0.174 0.000 0.991 455 S CB -0.333 62.975 63.200 0.181 0.000 0.792 455 S HN 0.422 nan 8.310 nan 0.000 0.488 456 Y N 2.557 122.895 120.300 0.063 0.000 2.114 456 Y HA -0.239 4.311 4.550 0.001 0.000 0.282 456 Y C 2.576 178.519 175.900 0.072 0.000 1.165 456 Y CA 1.582 59.711 58.100 0.048 0.000 1.148 456 Y CB -0.786 37.693 38.460 0.031 0.000 0.972 456 Y HN 0.175 nan 8.280 nan 0.000 0.504 457 S N 0.326 116.102 115.700 0.127 0.000 2.383 457 S HA -0.200 4.271 4.470 0.001 0.000 0.229 457 S C 2.048 176.647 174.600 -0.003 0.000 1.030 457 S CA 1.594 59.857 58.200 0.105 0.000 1.002 457 S CB -0.560 62.784 63.200 0.240 0.000 0.829 457 S HN 0.473 nan 8.310 nan 0.000 0.467 458 L N 0.827 122.065 121.223 0.026 0.000 2.083 458 L HA -0.114 4.227 4.340 0.001 0.000 0.209 458 L C 2.783 179.630 176.870 -0.039 0.000 1.083 458 L CA 1.204 56.049 54.840 0.009 0.000 0.752 458 L CB -0.773 41.325 42.059 0.065 0.000 0.899 458 L HN 0.317 nan 8.230 nan 0.000 0.433 459 A N -0.113 122.662 122.820 -0.076 0.000 1.898 459 A HA -0.127 4.193 4.320 0.001 0.000 0.216 459 A C 2.355 179.820 177.584 -0.198 0.000 1.181 459 A CA 1.591 53.558 52.037 -0.116 0.000 0.620 459 A CB -0.774 18.145 19.000 -0.135 0.000 0.819 459 A HN 0.179 nan 8.150 nan 0.000 0.442 460 V N 0.193 119.905 119.914 -0.337 0.000 2.343 460 V HA -0.286 3.835 4.120 0.001 0.000 0.247 460 V C 2.419 178.413 176.094 -0.166 0.000 1.051 460 V CA 2.119 64.222 62.300 -0.328 0.000 1.036 460 V CB -0.698 30.828 31.823 -0.495 0.000 0.654 460 V HN 0.574 nan 8.190 nan 0.000 0.451 461 I N 0.351 120.851 120.570 -0.117 0.000 2.179 461 I HA -0.243 3.928 4.170 0.001 0.000 0.242 461 I C 2.659 178.713 176.117 -0.106 0.000 1.088 461 I CA 1.541 62.785 61.300 -0.093 0.000 1.357 461 I CB -0.593 37.351 38.000 -0.095 0.000 1.051 461 I HN 0.279 nan 8.210 nan 0.000 0.409 462 A N 0.778 123.537 122.820 -0.102 0.000 1.902 462 A HA -0.166 4.154 4.320 0.001 0.000 0.217 462 A C 2.288 179.850 177.584 -0.036 0.000 1.181 462 A CA 1.489 53.484 52.037 -0.069 0.000 0.623 462 A CB -0.896 18.101 19.000 -0.006 0.000 0.818 462 A HN 0.397 nan 8.150 nan 0.000 0.443 463 L N -1.010 120.182 121.223 -0.052 0.000 2.141 463 L HA -0.152 4.189 4.340 0.001 0.000 0.209 463 L C 2.550 179.404 176.870 -0.027 0.000 1.094 463 L CA 1.606 56.422 54.840 -0.041 0.000 0.763 463 L CB -0.305 41.712 42.059 -0.068 0.000 0.908 463 L HN 0.355 nan 8.230 nan 0.000 0.437 464 K N 0.951 121.329 120.400 -0.038 0.000 2.062 464 K HA -0.111 4.210 4.320 0.001 0.000 0.205 464 K C 1.940 178.553 176.600 0.021 0.000 1.051 464 K CA 1.462 57.737 56.287 -0.020 0.000 0.941 464 K CB -0.347 32.134 32.500 -0.031 0.000 0.719 464 K HN 0.147 nan 8.250 nan 0.000 0.440 465 L N 0.846 122.095 121.223 0.042 0.000 2.083 465 L HA -0.144 4.196 4.340 0.001 0.000 0.209 465 L C 2.611 179.615 176.870 0.223 0.000 1.083 465 L CA 1.500 56.438 54.840 0.163 0.000 0.752 465 L CB -0.496 41.631 42.059 0.114 0.000 0.899 465 L HN 0.280 nan 8.230 nan 0.000 0.433 466 K N 0.394 120.861 120.400 0.111 0.000 2.032 466 K HA -0.272 4.048 4.320 0.001 0.000 0.209 466 K C 2.115 178.776 176.600 0.101 0.000 1.048 466 K CA 1.836 58.185 56.287 0.102 0.000 0.927 466 K CB -0.093 32.436 32.500 0.048 0.000 0.712 466 K HN 0.292 nan 8.250 nan 0.000 0.441 467 E N 0.473 120.707 120.200 0.057 0.000 2.072 467 E HA -0.141 4.209 4.350 0.001 0.000 0.191 467 E C 1.974 178.581 176.600 0.011 0.000 0.985 467 E CA 1.232 57.648 56.400 0.027 0.000 0.801 467 E CB 0.050 29.751 29.700 0.001 0.000 0.750 467 E HN 0.182 nan 8.360 nan 0.000 0.452 468 V N 0.487 120.399 119.914 -0.004 0.000 2.332 468 V HA -0.231 3.889 4.120 0.001 0.000 0.248 468 V C 1.916 177.861 176.094 -0.248 0.000 1.055 468 V CA 1.712 63.926 62.300 -0.143 0.000 1.038 468 V CB -0.559 31.139 31.823 -0.209 0.000 0.651 468 V HN 0.242 nan 8.190 nan 0.000 0.450 469 F N 0.222 120.178 119.950 0.010 0.000 2.765 469 F HA 0.414 4.941 4.527 0.001 0.000 0.302 469 F C 1.754 177.562 175.800 0.013 0.000 1.111 469 F CA 0.616 58.625 58.000 0.017 0.000 1.359 469 F CB -0.246 38.770 39.000 0.026 0.000 1.097 469 F HN 0.257 nan 8.300 nan 0.000 0.577 470 G N 1.536 110.406 108.800 0.117 0.000 2.246 470 G HA2 -0.298 3.663 3.960 0.001 0.000 0.273 470 G HA3 -0.298 3.663 3.960 0.001 0.000 0.273 470 G C 0.019 174.967 174.900 0.081 0.000 1.055 470 G CA -0.147 44.996 45.100 0.073 0.000 0.851 470 G HN 0.292 nan 8.290 nan 0.000 0.500 471 L N -0.446 120.834 121.223 0.096 0.000 2.357 471 L HA 0.424 4.764 4.340 0.001 0.000 0.273 471 L C 1.751 178.648 176.870 0.046 0.000 1.080 471 L CA -0.201 54.682 54.840 0.073 0.000 0.803 471 L CB 1.031 43.137 42.059 0.078 0.000 1.174 471 L HN 0.506 nan 8.230 nan 0.000 0.443 472 E N -0.163 120.058 120.200 0.034 0.000 2.385 472 E HA -0.022 4.328 4.350 0.001 0.000 0.194 472 E C -0.309 176.303 176.600 0.018 0.000 1.013 472 E CA 0.214 56.628 56.400 0.023 0.000 0.866 472 E CB 0.466 30.177 29.700 0.018 0.000 0.832 472 E HN 0.511 nan 8.360 nan 0.000 0.500 473 D N 0.284 120.697 120.400 0.022 0.000 2.936 473 D HA 0.024 4.665 4.640 0.001 0.000 0.238 473 D C 0.333 176.648 176.300 0.024 0.000 1.248 473 D CA -0.655 53.356 54.000 0.018 0.000 0.903 473 D CB 2.414 43.223 40.800 0.015 0.000 1.544 473 D HN -0.103 nan 8.370 nan 0.000 0.543 474 V N 4.450 124.376 119.914 0.021 0.000 2.568 474 V HA -0.228 3.892 4.120 0.001 0.000 0.253 474 V C 1.381 177.505 176.094 0.049 0.000 1.072 474 V CA 2.108 64.426 62.300 0.031 0.000 1.084 474 V CB -0.489 31.346 31.823 0.020 0.000 0.676 474 V HN 0.525 nan 8.190 nan 0.000 0.469 475 N N 0.086 118.810 118.700 0.039 0.000 2.520 475 N HA -0.103 4.637 4.740 0.001 0.000 0.185 475 N C 1.077 176.614 175.510 0.045 0.000 1.068 475 N CA 1.129 54.210 53.050 0.051 0.000 0.911 475 N CB -0.099 38.404 38.487 0.027 0.000 0.961 475 N HN 0.509 nan 8.380 nan 0.000 0.446 476 D N 0.274 120.694 120.400 0.032 0.000 2.363 476 D HA 0.033 4.673 4.640 0.001 0.000 0.220 476 D C 0.349 176.652 176.300 0.005 0.000 0.994 476 D CA 0.262 54.275 54.000 0.021 0.000 0.890 476 D CB 0.143 40.955 40.800 0.020 0.000 0.906 476 D HN 0.270 nan 8.370 nan 0.000 0.530 477 L N 1.914 123.143 121.223 0.011 0.000 2.452 477 L HA 0.130 4.471 4.340 0.001 0.000 0.267 477 L C -1.640 175.232 176.870 0.003 0.000 1.188 477 L CA -1.319 53.510 54.840 -0.018 0.000 0.821 477 L CB 0.171 42.230 42.059 0.000 0.000 1.102 477 L HN -0.165 nan 8.230 nan 0.000 0.470 478 P HA 0.247 nan 4.420 nan 0.000 0.225 478 P C -0.794 176.562 177.300 0.093 0.000 1.813 478 P CA 0.337 63.458 63.100 0.034 0.000 1.013 478 P CB -0.290 31.410 31.700 -0.000 0.000 1.961 479 I N 0.926 121.514 120.570 0.029 0.000 2.498 479 I HA 0.376 4.547 4.170 0.001 0.000 0.290 479 I C -0.198 175.797 176.117 -0.202 0.000 1.032 479 I CA -1.257 59.993 61.300 -0.084 0.000 1.073 479 I CB 2.862 40.735 38.000 -0.212 0.000 1.251 479 I HN -0.177 nan 8.210 nan 0.000 0.426 480 V N 5.791 125.545 119.914 -0.267 0.000 2.628 480 V HA 0.392 4.513 4.120 0.001 0.000 0.306 480 V C -1.182 174.698 176.094 -0.356 0.000 1.045 480 V CA -0.667 61.484 62.300 -0.249 0.000 0.905 480 V CB 1.856 33.506 31.823 -0.290 0.000 0.997 480 V HN 0.416 nan 8.190 nan 0.000 0.436 481 Y N 2.828 123.066 120.300 -0.102 0.000 2.356 481 Y HA 0.486 5.036 4.550 0.001 0.000 0.334 481 Y C 0.409 176.270 175.900 -0.064 0.000 0.958 481 Y CA -0.633 57.419 58.100 -0.080 0.000 1.196 481 Y CB 1.094 39.470 38.460 -0.140 0.000 1.137 481 Y HN 0.558 nan 8.280 nan 0.000 0.485 482 N N 4.987 123.780 118.700 0.154 0.000 2.841 482 N HA 0.260 5.001 4.740 0.001 0.000 0.257 482 N C -1.272 174.385 175.510 0.246 0.000 1.396 482 N CA -0.427 52.746 53.050 0.204 0.000 0.823 482 N CB 0.185 38.744 38.487 0.121 0.000 1.162 482 N HN 0.682 nan 8.380 nan 0.000 0.503 483 I N -0.702 120.001 120.570 0.223 0.000 2.437 483 I HA 0.832 5.002 4.170 0.001 0.000 0.298 483 I C 0.025 176.262 176.117 0.200 0.000 0.984 483 I CA -1.140 60.274 61.300 0.190 0.000 1.214 483 I CB 1.822 39.927 38.000 0.174 0.000 1.365 483 I HN 0.161 nan 8.210 nan 0.000 0.469 484 A N 7.171 130.034 122.820 0.073 0.000 2.312 484 A HA 0.748 5.068 4.320 0.001 0.000 0.326 484 A C -0.871 176.870 177.584 0.261 0.000 1.172 484 A CA -0.525 51.536 52.037 0.040 0.000 0.821 484 A CB 0.801 19.553 19.000 -0.413 0.000 1.166 484 A HN 0.956 nan 8.150 nan 0.000 0.493 485 W N 1.751 123.115 121.300 0.105 0.000 2.962 485 W HA 0.634 5.295 4.660 0.001 0.000 0.341 485 W C -1.342 175.318 176.519 0.236 0.000 1.155 485 W CA -0.858 56.577 57.345 0.150 0.000 1.165 485 W CB 1.147 30.671 29.460 0.107 0.000 1.435 485 W HN 0.745 nan 8.180 nan 0.000 0.546 486 Y N 0.954 121.187 120.300 -0.110 0.000 3.147 486 Y HA 0.159 4.710 4.550 0.001 0.000 0.219 486 Y C 0.129 175.917 175.900 -0.185 0.000 1.021 486 Y CA 1.298 59.182 58.100 -0.360 0.000 1.440 486 Y CB 0.222 38.652 38.460 -0.049 0.000 1.472 486 Y HN 0.428 nan 8.280 nan 0.000 0.408 487 E N -0.068 120.102 120.200 -0.048 0.000 2.450 487 E HA 0.367 4.718 4.350 0.001 0.000 0.248 487 E C 0.248 176.905 176.600 0.094 0.000 0.930 487 E CA -0.453 55.865 56.400 -0.137 0.000 0.854 487 E CB 0.441 30.029 29.700 -0.187 0.000 1.355 487 E HN 0.059 nan 8.360 nan 0.000 0.402 488 Q N -0.286 119.505 119.800 -0.015 0.000 2.389 488 Q HA 0.143 4.483 4.340 0.001 0.000 0.204 488 Q C 1.344 177.326 176.000 -0.030 0.000 0.944 488 Q CA 0.966 56.769 55.803 -0.001 0.000 0.908 488 Q CB -0.051 28.651 28.738 -0.060 0.000 1.002 488 Q HN 0.438 nan 8.270 nan 0.000 0.493 489 K N 0.269 120.620 120.400 -0.082 0.000 2.097 489 K HA -0.058 4.262 4.320 0.001 0.000 0.206 489 K C 1.958 178.606 176.600 0.080 0.000 1.049 489 K CA 1.133 57.339 56.287 -0.136 0.000 0.933 489 K CB -0.156 32.236 32.500 -0.180 0.000 0.717 489 K HN 0.214 nan 8.250 nan 0.000 0.442 490 A N 0.857 123.783 122.820 0.178 0.000 1.972 490 A HA -0.108 4.213 4.320 0.001 0.000 0.219 490 A C 2.284 179.965 177.584 0.162 0.000 1.169 490 A CA 1.237 53.417 52.037 0.239 0.000 0.635 490 A CB -0.498 18.728 19.000 0.376 0.000 0.810 490 A HN 0.066 nan 8.150 nan 0.000 0.446 491 V N -0.345 119.650 119.914 0.136 0.000 2.295 491 V HA -0.237 3.883 4.120 0.001 0.000 0.246 491 V C 2.350 178.472 176.094 0.047 0.000 1.049 491 V CA 1.965 64.306 62.300 0.070 0.000 1.024 491 V CB -0.659 31.234 31.823 0.116 0.000 0.648 491 V HN 0.581 nan 8.190 nan 0.000 0.447 492 I N -0.257 120.340 120.570 0.046 0.000 2.394 492 I HA -0.136 4.034 4.170 0.001 0.000 0.251 492 I C 2.190 178.364 176.117 0.095 0.000 1.136 492 I CA 1.318 62.650 61.300 0.054 0.000 1.425 492 I CB -0.179 37.836 38.000 0.024 0.000 1.079 492 I HN 0.060 nan 8.210 nan 0.000 0.425 493 V N 0.298 120.296 119.914 0.140 0.000 2.343 493 V HA -0.259 3.862 4.120 0.001 0.000 0.247 493 V C 2.430 178.556 176.094 0.054 0.000 1.051 493 V CA 1.874 64.262 62.300 0.147 0.000 1.036 493 V CB -0.837 31.105 31.823 0.198 0.000 0.654 493 V HN 0.496 nan 8.190 nan 0.000 0.451 494 L N -0.159 121.075 121.223 0.018 0.000 1.989 494 L HA -0.160 4.181 4.340 0.001 0.000 0.211 494 L C 2.218 179.017 176.870 -0.118 0.000 1.071 494 L CA 1.976 56.776 54.840 -0.066 0.000 0.749 494 L CB -0.570 41.431 42.059 -0.096 0.000 0.890 494 L HN 0.203 nan 8.230 nan 0.000 0.431 495 L N -0.585 120.588 121.223 -0.083 0.000 2.083 495 L HA -0.185 4.156 4.340 0.001 0.000 0.209 495 L C 2.701 179.508 176.870 -0.104 0.000 1.083 495 L CA 1.087 55.862 54.840 -0.108 0.000 0.752 495 L CB -1.048 40.985 42.059 -0.044 0.000 0.899 495 L HN 0.429 nan 8.230 nan 0.000 0.433 496 A N 0.453 123.247 122.820 -0.043 0.000 1.877 496 A HA -0.180 4.140 4.320 0.001 0.000 0.216 496 A C 2.257 179.794 177.584 -0.078 0.000 1.186 496 A CA 1.496 53.517 52.037 -0.028 0.000 0.620 496 A CB -0.719 18.308 19.000 0.046 0.000 0.822 496 A HN 0.355 nan 8.150 nan 0.000 0.443 497 L N -0.597 120.564 121.223 -0.105 0.000 2.046 497 L HA -0.184 4.157 4.340 0.001 0.000 0.208 497 L C 2.555 179.278 176.870 -0.246 0.000 1.077 497 L CA 1.032 55.770 54.840 -0.169 0.000 0.747 497 L CB -0.576 41.361 42.059 -0.204 0.000 0.896 497 L HN 0.381 nan 8.230 nan 0.000 0.432 498 L N -0.395 120.626 121.223 -0.338 0.000 2.083 498 L HA -0.191 4.150 4.340 0.001 0.000 0.209 498 L C 2.890 179.554 176.870 -0.343 0.000 1.083 498 L CA 1.549 56.042 54.840 -0.579 0.000 0.752 498 L CB -0.696 40.800 42.059 -0.939 0.000 0.899 498 L HN 0.414 nan 8.230 nan 0.000 0.433 499 S N 0.081 115.660 115.700 -0.203 0.000 2.423 499 S HA -0.117 4.353 4.470 0.001 0.000 0.231 499 S C 1.803 176.369 174.600 -0.056 0.000 1.014 499 S CA 0.784 58.930 58.200 -0.090 0.000 0.965 499 S CB -0.513 62.639 63.200 -0.081 0.000 0.785 499 S HN 0.420 nan 8.310 nan 0.000 0.495 500 L N 0.987 122.164 121.223 -0.078 0.000 2.599 500 L HA 0.284 4.625 4.340 0.001 0.000 0.230 500 L C 1.863 178.710 176.870 -0.039 0.000 1.141 500 L CA 0.417 55.221 54.840 -0.059 0.000 0.877 500 L CB -0.641 41.375 42.059 -0.071 0.000 1.009 500 L HN 0.632 nan 8.230 nan 0.000 0.447 501 G N -0.111 108.680 108.800 -0.016 0.000 2.141 501 G HA2 -0.237 3.723 3.960 0.001 0.000 0.242 501 G HA3 -0.237 3.723 3.960 0.001 0.000 0.242 501 G C 0.203 175.108 174.900 0.008 0.000 0.982 501 G CA -0.063 45.071 45.100 0.056 0.000 0.662 501 G HN 0.079 nan 8.290 nan 0.000 0.527 502 V N 2.047 121.896 119.914 -0.108 0.000 2.479 502 V HA 0.360 4.481 4.120 0.001 0.000 0.281 502 V C 0.621 176.613 176.094 -0.169 0.000 1.031 502 V CA 0.030 62.194 62.300 -0.227 0.000 1.038 502 V CB 1.114 32.646 31.823 -0.485 0.000 0.981 502 V HN 0.273 nan 8.190 nan 0.000 0.478 503 K N 3.539 123.868 120.400 -0.117 0.000 2.185 503 K HA 0.464 4.784 4.320 0.001 0.000 0.240 503 K C 0.588 177.105 176.600 -0.138 0.000 0.983 503 K CA -0.821 55.436 56.287 -0.051 0.000 0.873 503 K CB 0.801 33.300 32.500 -0.003 0.000 1.118 503 K HN 0.699 nan 8.250 nan 0.000 0.441 504 N N 0.142 118.763 118.700 -0.131 0.000 2.741 504 N HA -0.212 4.529 4.740 0.001 0.000 0.250 504 N C -0.379 174.795 175.510 -0.560 0.000 1.115 504 N CA 0.459 53.361 53.050 -0.245 0.000 0.724 504 N CB -1.405 36.989 38.487 -0.155 0.000 1.090 504 N HN 0.529 nan 8.380 nan 0.000 0.558 505 I N 2.040 122.358 120.570 -0.420 0.000 2.618 505 I HA -0.058 4.112 4.170 0.001 0.000 0.284 505 I C 0.800 176.623 176.117 -0.490 0.000 1.146 505 I CA 0.470 61.512 61.300 -0.431 0.000 1.425 505 I CB 0.317 38.150 38.000 -0.278 0.000 1.383 505 I HN -0.001 nan 8.210 nan 0.000 0.562 506 H N 6.877 125.843 119.070 -0.174 0.000 2.519 506 H HA 0.454 5.010 4.556 0.001 0.000 0.316 506 H C -0.731 174.590 175.328 -0.013 0.000 1.065 506 H CA -0.806 55.124 56.048 -0.196 0.000 1.264 506 H CB 1.603 31.033 29.762 -0.553 0.000 1.413 506 H HN 0.303 nan 8.280 nan 0.000 0.465 507 L N 2.627 123.929 121.223 0.131 0.000 2.362 507 L HA 0.717 5.057 4.340 0.001 0.000 0.275 507 L C 0.008 177.016 176.870 0.229 0.000 0.998 507 L CA -0.035 54.894 54.840 0.147 0.000 0.820 507 L CB 1.826 43.890 42.059 0.008 0.000 1.270 507 L HN 0.808 nan 8.230 nan 0.000 0.415 508 G N 3.590 112.612 108.800 0.369 0.000 2.663 508 G HA2 0.472 4.432 3.960 0.001 0.000 0.299 508 G HA3 0.472 4.432 3.960 0.001 0.000 0.299 508 G C -2.773 172.376 174.900 0.414 0.000 1.372 508 G CA -0.413 44.899 45.100 0.353 0.000 0.781 508 G HN 0.358 nan 8.290 nan 0.000 0.491 509 P HA 0.122 nan 4.420 nan 0.000 0.241 509 P C 0.613 177.959 177.300 0.076 0.000 1.191 509 P CA 0.887 64.062 63.100 0.124 0.000 0.771 509 P CB 0.302 32.058 31.700 0.093 0.000 0.929 510 T N -2.972 111.682 114.554 0.167 0.000 2.887 510 T HA 0.599 4.949 4.350 0.001 0.000 0.292 510 T C -0.307 174.582 174.700 0.314 0.000 1.087 510 T CA -0.968 61.235 62.100 0.171 0.000 1.009 510 T CB 1.226 70.168 68.868 0.122 0.000 1.203 510 T HN -0.192 nan 8.240 nan 0.000 0.518 511 L N 1.372 122.697 121.223 0.170 0.000 2.357 511 L HA 0.474 4.815 4.340 0.001 0.000 0.273 511 L C -2.271 174.606 176.870 0.012 0.000 1.080 511 L CA -2.473 52.402 54.840 0.059 0.000 0.803 511 L CB 0.806 42.847 42.059 -0.029 0.000 1.174 511 L HN 0.462 nan 8.230 nan 0.000 0.443 512 P HA -0.044 nan 4.420 nan 0.000 0.264 512 P C 0.047 177.064 177.300 -0.472 0.000 1.183 512 P CA 0.110 62.874 63.100 -0.560 0.000 0.763 512 P CB 0.808 31.526 31.700 -1.637 0.000 0.807 513 A N 3.593 126.247 122.820 -0.277 0.000 2.070 513 A HA -0.156 4.165 4.320 0.001 0.000 0.220 513 A C 1.387 178.884 177.584 -0.146 0.000 1.159 513 A CA 1.247 53.234 52.037 -0.083 0.000 0.656 513 A CB -1.365 17.712 19.000 0.129 0.000 0.800 513 A HN 0.676 nan 8.150 nan 0.000 0.453 514 F N -1.269 118.490 119.950 -0.319 0.000 2.797 514 F HA 0.438 4.966 4.527 0.001 0.000 0.302 514 F C 0.136 175.881 175.800 -0.092 0.000 1.130 514 F CA -0.613 57.097 58.000 -0.483 0.000 1.387 514 F CB -0.648 37.927 39.000 -0.708 0.000 1.107 514 F HN -0.098 nan 8.300 nan 0.000 0.577 515 L N 2.471 123.631 121.223 -0.105 0.000 2.261 515 L HA 0.302 4.643 4.340 0.001 0.000 0.289 515 L C 0.763 177.659 176.870 0.043 0.000 1.059 515 L CA -0.825 54.009 54.840 -0.009 0.000 0.816 515 L CB 0.732 42.729 42.059 -0.103 0.000 1.191 515 L HN 0.282 nan 8.230 nan 0.000 0.431 516 S N 3.035 118.789 115.700 0.091 0.000 2.589 516 S HA 0.243 4.713 4.470 0.001 0.000 0.265 516 S C -1.748 172.885 174.600 0.055 0.000 1.342 516 S CA -1.043 57.209 58.200 0.087 0.000 1.005 516 S CB 0.874 64.131 63.200 0.095 0.000 0.909 516 S HN 0.383 nan 8.310 nan 0.000 0.555 517 P HA -0.117 nan 4.420 nan 0.000 0.215 517 P C 0.992 178.312 177.300 0.032 0.000 1.157 517 P CA 1.324 64.445 63.100 0.036 0.000 0.874 517 P CB -0.084 31.638 31.700 0.035 0.000 0.790 518 N N -1.179 117.543 118.700 0.036 0.000 2.270 518 N HA -0.069 4.671 4.740 0.001 0.000 0.181 518 N C 1.711 177.241 175.510 0.034 0.000 1.016 518 N CA 0.791 53.860 53.050 0.031 0.000 0.870 518 N CB -1.004 37.501 38.487 0.030 0.000 0.979 518 N HN 0.024 nan 8.380 nan 0.000 0.431 519 V N 1.418 121.357 119.914 0.042 0.000 2.379 519 V HA -0.098 4.023 4.120 0.001 0.000 0.245 519 V C 2.399 178.516 176.094 0.040 0.000 1.044 519 V CA 1.576 63.904 62.300 0.047 0.000 1.036 519 V CB -0.917 30.943 31.823 0.062 0.000 0.664 519 V HN 0.251 nan 8.190 nan 0.000 0.453 520 A N -0.005 122.832 122.820 0.028 0.000 1.908 520 A HA -0.313 4.008 4.320 0.001 0.000 0.218 520 A C 2.323 179.922 177.584 0.024 0.000 1.181 520 A CA 2.416 54.463 52.037 0.015 0.000 0.627 520 A CB -0.529 18.473 19.000 0.004 0.000 0.818 520 A HN 0.538 nan 8.150 nan 0.000 0.445 521 K N -0.407 120.007 120.400 0.023 0.000 2.057 521 K HA -0.101 4.219 4.320 0.001 0.000 0.207 521 K C 1.808 178.419 176.600 0.018 0.000 1.049 521 K CA 1.607 57.906 56.287 0.019 0.000 0.931 521 K CB -0.286 32.224 32.500 0.017 0.000 0.714 521 K HN 0.226 nan 8.250 nan 0.000 0.440 522 V N 1.718 121.646 119.914 0.024 0.000 2.295 522 V HA -0.261 3.859 4.120 0.001 0.000 0.246 522 V C 2.284 178.402 176.094 0.040 0.000 1.049 522 V CA 1.681 63.994 62.300 0.021 0.000 1.024 522 V CB -0.344 31.499 31.823 0.034 0.000 0.648 522 V HN 0.342 nan 8.190 nan 0.000 0.447 523 L N -0.670 120.604 121.223 0.085 0.000 2.141 523 L HA -0.124 4.216 4.340 0.001 0.000 0.209 523 L C 2.413 179.366 176.870 0.137 0.000 1.094 523 L CA 0.914 55.858 54.840 0.175 0.000 0.763 523 L CB -0.576 41.557 42.059 0.124 0.000 0.908 523 L HN 0.207 nan 8.230 nan 0.000 0.437 524 V N -0.206 119.743 119.914 0.060 0.000 2.358 524 V HA -0.240 3.880 4.120 0.001 0.000 0.246 524 V C 2.330 178.423 176.094 -0.002 0.000 1.047 524 V CA 1.652 63.973 62.300 0.036 0.000 1.035 524 V CB -0.402 31.437 31.823 0.025 0.000 0.658 524 V HN 0.432 nan 8.190 nan 0.000 0.452 525 E N -0.265 119.920 120.200 -0.025 0.000 2.085 525 E HA -0.252 4.098 4.350 0.001 0.000 0.194 525 E C 2.351 178.864 176.600 -0.145 0.000 0.994 525 E CA 1.452 57.814 56.400 -0.064 0.000 0.801 525 E CB -0.104 29.562 29.700 -0.057 0.000 0.743 525 E HN 0.650 nan 8.360 nan 0.000 0.453 526 Q N -1.148 118.507 119.800 -0.241 0.000 2.250 526 Q HA -0.003 4.338 4.340 0.001 0.000 0.200 526 Q C 1.045 176.560 176.000 -0.808 0.000 0.941 526 Q CA 0.805 56.253 55.803 -0.591 0.000 0.872 526 Q CB 0.399 28.636 28.738 -0.836 0.000 0.965 526 Q HN 0.299 nan 8.270 nan 0.000 0.480 527 F N -0.835 119.086 119.950 -0.050 0.000 2.817 527 F HA 0.229 4.757 4.527 0.001 0.000 0.333 527 F C 0.262 176.013 175.800 -0.081 0.000 1.085 527 F CA -0.566 57.391 58.000 -0.072 0.000 1.170 527 F CB 0.300 39.248 39.000 -0.086 0.000 1.066 527 F HN -0.080 nan 8.300 nan 0.000 0.564 528 N N 1.961 120.698 118.700 0.063 0.000 2.727 528 N HA -0.261 4.479 4.740 0.001 0.000 0.249 528 N C -0.028 175.490 175.510 0.013 0.000 1.048 528 N CA 0.236 53.303 53.050 0.029 0.000 0.714 528 N CB -1.182 37.310 38.487 0.009 0.000 0.959 528 N HN 0.485 nan 8.380 nan 0.000 0.544 529 I N -0.493 120.095 120.570 0.030 0.000 2.754 529 I HA 0.407 4.578 4.170 0.001 0.000 0.285 529 I C 1.199 177.327 176.117 0.017 0.000 1.166 529 I CA 0.877 62.166 61.300 -0.018 0.000 1.417 529 I CB 0.428 38.412 38.000 -0.027 0.000 1.382 529 I HN 0.299 nan 8.210 nan 0.000 0.588 530 G N 4.004 112.828 108.800 0.040 0.000 2.682 530 G HA2 0.612 4.572 3.960 0.001 0.000 0.290 530 G HA3 0.612 4.572 3.960 0.001 0.000 0.290 530 G C -0.896 174.078 174.900 0.123 0.000 1.425 530 G CA -0.301 44.860 45.100 0.102 0.000 0.807 530 G HN 0.903 nan 8.290 nan 0.000 0.482 531 G N -1.293 107.582 108.800 0.124 0.000 2.642 531 G HA2 0.677 4.637 3.960 0.001 0.000 0.291 531 G HA3 0.677 4.637 3.960 0.001 0.000 0.291 531 G C 0.040 175.037 174.900 0.161 0.000 1.345 531 G CA -0.526 44.645 45.100 0.118 0.000 1.043 531 G HN 1.191 nan 8.290 nan 0.000 0.528 532 I N -2.297 118.310 120.570 0.062 0.000 2.793 532 I HA 0.792 4.962 4.170 0.001 0.000 0.313 532 I C 0.705 176.773 176.117 -0.083 0.000 0.998 532 I CA -0.566 60.714 61.300 -0.033 0.000 1.140 532 I CB 2.263 39.963 38.000 -0.501 0.000 1.327 532 I HN 0.676 nan 8.210 nan 0.000 0.491 533 T N 0.453 114.963 114.554 -0.073 0.000 1.850 533 T HA 0.373 4.723 4.350 0.001 0.000 0.176 533 T C 0.533 175.250 174.700 0.030 0.000 0.702 533 T CA 0.325 62.406 62.100 -0.032 0.000 1.184 533 T CB -0.243 68.623 68.868 -0.005 0.000 3.221 533 T HN 0.859 nan 8.240 nan 0.000 0.405 534 S N 1.669 117.421 115.700 0.087 0.000 2.651 534 S HA 0.560 5.030 4.470 0.001 0.000 0.291 534 S C -2.105 172.615 174.600 0.200 0.000 1.141 534 S CA -1.326 56.965 58.200 0.152 0.000 1.027 534 S CB 1.366 64.600 63.200 0.056 0.000 1.043 534 S HN 0.324 nan 8.310 nan 0.000 0.530 535 P HA -0.173 nan 4.420 nan 0.000 0.215 535 P C 1.680 178.939 177.300 -0.069 0.000 1.157 535 P CA 1.313 64.356 63.100 -0.096 0.000 0.868 535 P CB -0.001 31.592 31.700 -0.178 0.000 0.788 536 Q N -0.175 119.587 119.800 -0.062 0.000 2.061 536 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 536 Q C 1.573 177.530 176.000 -0.073 0.000 0.984 536 Q CA 1.838 57.594 55.803 -0.078 0.000 0.846 536 Q CB -0.502 28.203 28.738 -0.056 0.000 0.902 536 Q HN 0.186 nan 8.270 nan 0.000 0.421 537 D N 0.352 120.720 120.400 -0.054 0.000 2.149 537 D HA -0.118 4.522 4.640 0.001 0.000 0.201 537 D C 1.371 177.587 176.300 -0.139 0.000 0.972 537 D CA 1.077 55.037 54.000 -0.067 0.000 0.835 537 D CB -0.092 40.681 40.800 -0.044 0.000 0.966 537 D HN 0.341 nan 8.370 nan 0.000 0.476 538 D N 0.443 120.710 120.400 -0.222 0.000 2.194 538 D HA -0.020 4.621 4.640 0.001 0.000 0.204 538 D C 2.313 178.460 176.300 -0.254 0.000 0.964 538 D CA 0.138 53.759 54.000 -0.632 0.000 0.846 538 D CB -0.211 40.067 40.800 -0.870 0.000 0.962 538 D HN 0.199 nan 8.370 nan 0.000 0.490 539 L N 0.526 121.722 121.223 -0.046 0.000 2.191 539 L HA -0.151 4.190 4.340 0.001 0.000 0.212 539 L C 2.371 179.272 176.870 0.052 0.000 1.103 539 L CA 1.039 55.851 54.840 -0.047 0.000 0.769 539 L CB -0.138 41.730 42.059 -0.318 0.000 0.908 539 L HN -0.007 nan 8.230 nan 0.000 0.438 540 K N 0.095 120.501 120.400 0.011 0.000 2.029 540 K HA -0.069 4.252 4.320 0.001 0.000 0.205 540 K C 2.187 178.871 176.600 0.140 0.000 1.042 540 K CA 1.034 57.353 56.287 0.053 0.000 0.949 540 K CB -0.052 32.450 32.500 0.003 0.000 0.740 540 K HN 0.186 nan 8.250 nan 0.000 0.442 541 A N 0.798 123.663 122.820 0.075 0.000 1.930 541 A HA -0.094 4.227 4.320 0.001 0.000 0.217 541 A C 1.815 179.584 177.584 0.308 0.000 1.175 541 A CA 1.067 53.186 52.037 0.137 0.000 0.627 541 A CB -0.600 18.445 19.000 0.074 0.000 0.815 541 A HN 0.348 nan 8.150 nan 0.000 0.443 542 F N -1.471 118.528 119.950 0.082 0.000 2.502 542 F HA 0.089 4.617 4.527 0.001 0.000 0.298 542 F C 1.002 176.698 175.800 -0.173 0.000 1.111 542 F CA -0.031 57.936 58.000 -0.055 0.000 1.445 542 F CB -0.906 38.012 39.000 -0.136 0.000 1.081 542 F HN 0.227 nan 8.300 nan 0.000 0.558 543 F N -0.441 119.669 119.950 0.267 0.000 2.647 543 F HA 0.518 5.046 4.527 0.001 0.000 0.300 543 F C 1.036 176.901 175.800 0.109 0.000 1.106 543 F CA 0.066 58.162 58.000 0.161 0.000 1.313 543 F CB 0.177 39.234 39.000 0.094 0.000 1.007 543 F HN -0.098 nan 8.300 nan 0.000 0.536 544 G N 0.000 108.935 108.800 0.225 0.000 5.446 544 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 544 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 544 G CA 0.000 nan 45.100 nan 0.000 0.502 544 G HN 0.000 nan 8.290 nan 0.000 0.925