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 1f8s_1_C DATA FIRST_RESID 5 DATA SEQUENCE NPLAEcFQEN DYEEFLEIAR NGLKATSNPK HVVIVGAGMA GLSAAYVLAG DATA SEQUENCE AGHQVTVLEA SERPGGRVRT YRNEEAGWYA NLGPMRLPEK HRIVREYIRK DATA SEQUENCE FDLRLNEFSQ ENDNAWYFIK NIRKKVGEVK KDPGLLKYPV KPSEAGKSAG DATA SEQUENCE QLYEESLGKV VEELKRTNcS YILNKYDTYS TKEYLIKEGD LSPGAVDMIG DATA SEQUENCE DLLNEDSGYY VSFIESLKHD DIFAYEKRFD EIVDGMDKLP TAMYRDIQDK DATA SEQUENCE VHFNAQVIKI QQNDQKVTVV YETLSKETPS VTADYVIVCT TSRAVRLIKF DATA SEQUENCE NPPLLPKKAH ALRSVHYRSG TKIFLTcTTK FWEDDGIHGG KSTTDLPSRF DATA SEQUENCE IYYPNHNFTN GVGVIIAYGI GDDANFFQAL DFKDCADIVF NDLSLIHQLP DATA SEQUENCE KKDIQSFcYP SVIQKWSLDK YAMGGITTFT PYQFQHFSDP LTASQGRIYF DATA SEQUENCE AGEYTAQAHG WIDSTIKSGL RAARDVNLAS EN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.301 175.510 -0.348 0.000 1.280 5 N CA 0.000 52.470 53.050 -0.967 0.000 0.885 5 N CB 0.000 37.789 38.487 -1.164 0.000 1.341 6 P HA 0.004 nan 4.420 nan 0.000 0.225 6 P C 0.753 177.988 177.300 -0.108 0.000 1.148 6 P CA 0.794 63.839 63.100 -0.093 0.000 0.779 6 P CB 0.609 32.293 31.700 -0.027 0.000 0.780 7 L N -1.615 119.535 121.223 -0.121 0.000 2.693 7 L HA 0.290 4.629 4.340 -0.000 0.000 0.235 7 L C 2.439 179.200 176.870 -0.181 0.000 1.127 7 L CA 0.103 54.862 54.840 -0.135 0.000 0.914 7 L CB -0.529 41.516 42.059 -0.023 0.000 1.193 7 L HN -0.154 nan 8.230 nan 0.000 0.502 8 A N 1.237 123.966 122.820 -0.152 0.000 1.909 8 A HA -0.342 3.978 4.320 -0.000 0.000 0.221 8 A C 2.218 179.704 177.584 -0.163 0.000 1.223 8 A CA 2.547 54.506 52.037 -0.129 0.000 0.658 8 A CB -0.606 18.297 19.000 -0.162 0.000 0.831 8 A HN 0.587 nan 8.150 nan 0.000 0.462 9 E N -0.673 119.419 120.200 -0.180 0.000 2.169 9 E HA -0.274 4.075 4.350 -0.000 0.000 0.202 9 E C 1.734 178.181 176.600 -0.255 0.000 1.016 9 E CA 1.893 58.186 56.400 -0.179 0.000 0.817 9 E CB -0.437 29.174 29.700 -0.149 0.000 0.736 9 E HN 0.663 nan 8.360 nan 0.000 0.462 10 c N -0.297 118.040 118.600 -0.438 0.000 2.500 10 c HA 0.085 4.655 4.570 -0.000 0.000 0.273 10 c C 1.144 174.771 174.090 -0.773 0.000 1.428 10 c CA -0.168 55.776 56.329 -0.642 0.000 1.766 10 c CB -1.102 40.888 42.510 -0.868 0.000 1.817 10 c HN 0.336 nan 8.230 nan 0.000 0.543 11 F N 0.602 120.456 119.950 -0.160 0.000 2.850 11 F HA 0.247 4.774 4.527 -0.000 0.000 0.306 11 F C 0.786 176.476 175.800 -0.184 0.000 1.162 11 F CA -0.326 57.565 58.000 -0.181 0.000 1.327 11 F CB -0.165 38.714 39.000 -0.202 0.000 0.953 11 F HN 0.222 nan 8.300 nan 0.000 0.507 12 Q N 1.123 120.882 119.800 -0.068 0.000 2.235 12 Q HA 0.208 4.547 4.340 -0.000 0.000 0.250 12 Q C -0.013 175.943 176.000 -0.074 0.000 0.909 12 Q CA -0.765 54.974 55.803 -0.107 0.000 0.910 12 Q CB 1.581 30.259 28.738 -0.101 0.000 1.223 12 Q HN 0.166 nan 8.270 nan 0.000 0.432 13 E N 1.895 122.030 120.200 -0.109 0.000 2.384 13 E HA -0.010 4.340 4.350 -0.000 0.000 0.266 13 E C -0.424 176.251 176.600 0.126 0.000 1.012 13 E CA -0.080 56.335 56.400 0.025 0.000 0.901 13 E CB 0.478 30.256 29.700 0.130 0.000 0.967 13 E HN 0.421 nan 8.360 nan 0.000 0.435 14 N N 2.262 121.042 118.700 0.133 0.000 2.483 14 N HA -0.077 4.663 4.740 -0.000 0.000 0.264 14 N C -0.685 174.983 175.510 0.263 0.000 1.197 14 N CA 0.249 53.392 53.050 0.155 0.000 0.927 14 N CB 0.333 38.900 38.487 0.134 0.000 1.065 14 N HN 0.269 nan 8.380 nan 0.000 0.461 15 D N 1.464 121.979 120.400 0.192 0.000 2.811 15 D HA -0.272 4.368 4.640 -0.000 0.000 0.231 15 D C 0.263 176.713 176.300 0.250 0.000 1.157 15 D CA 0.482 54.570 54.000 0.147 0.000 0.716 15 D CB -1.445 39.395 40.800 0.068 0.000 1.077 15 D HN 0.583 nan 8.370 nan 0.000 0.428 16 Y N 0.506 120.891 120.300 0.142 0.000 2.151 16 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 16 Y C 2.303 178.261 175.900 0.098 0.000 1.166 16 Y CA 2.556 60.745 58.100 0.149 0.000 1.163 16 Y CB -0.021 38.478 38.460 0.065 0.000 0.974 16 Y HN 0.252 nan 8.280 nan 0.000 0.511 17 E N -0.237 120.025 120.200 0.102 0.000 2.085 17 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 17 E C 2.239 178.771 176.600 -0.113 0.000 0.994 17 E CA 1.395 57.784 56.400 -0.018 0.000 0.801 17 E CB -0.183 29.523 29.700 0.009 0.000 0.743 17 E HN 0.596 nan 8.360 nan 0.000 0.453 18 E N -0.614 119.493 120.200 -0.156 0.000 2.058 18 E HA -0.196 4.154 4.350 -0.000 0.000 0.194 18 E C 1.765 178.141 176.600 -0.373 0.000 0.997 18 E CA 1.251 57.468 56.400 -0.305 0.000 0.801 18 E CB -0.101 29.321 29.700 -0.464 0.000 0.746 18 E HN 0.293 nan 8.360 nan 0.000 0.450 19 F N -0.079 119.798 119.950 -0.122 0.000 2.325 19 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 19 F C 2.130 177.802 175.800 -0.213 0.000 1.090 19 F CA 0.044 57.959 58.000 -0.143 0.000 1.392 19 F CB -0.010 38.911 39.000 -0.132 0.000 1.053 19 F HN 0.130 nan 8.300 nan 0.000 0.521 20 L N 0.688 121.803 121.223 -0.181 0.000 2.093 20 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 20 L C 2.290 179.067 176.870 -0.154 0.000 1.085 20 L CA 1.786 56.485 54.840 -0.236 0.000 0.755 20 L CB -0.806 41.078 42.059 -0.291 0.000 0.904 20 L HN 0.060 nan 8.230 nan 0.000 0.435 21 E N 0.096 120.216 120.200 -0.132 0.000 2.077 21 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 21 E C 2.065 178.611 176.600 -0.090 0.000 0.989 21 E CA 1.891 58.224 56.400 -0.111 0.000 0.800 21 E CB -0.443 29.190 29.700 -0.111 0.000 0.746 21 E HN 0.625 nan 8.360 nan 0.000 0.452 22 I N 0.300 120.831 120.570 -0.064 0.000 2.315 22 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 22 I C 2.357 178.480 176.117 0.011 0.000 1.117 22 I CA 0.958 62.259 61.300 0.001 0.000 1.404 22 I CB -0.405 37.641 38.000 0.077 0.000 1.071 22 I HN 0.205 nan 8.210 nan 0.000 0.419 23 A N 0.862 123.657 122.820 -0.043 0.000 1.902 23 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 23 A C 2.402 179.763 177.584 -0.372 0.000 1.181 23 A CA 1.485 53.375 52.037 -0.246 0.000 0.623 23 A CB -0.485 18.315 19.000 -0.332 0.000 0.818 23 A HN 0.306 nan 8.150 nan 0.000 0.443 24 R N -0.691 119.665 120.500 -0.240 0.000 2.055 24 R HA -0.016 4.324 4.340 -0.000 0.000 0.228 24 R C 0.811 177.032 176.300 -0.132 0.000 1.143 24 R CA 1.479 57.457 56.100 -0.204 0.000 0.945 24 R CB -0.162 30.049 30.300 -0.149 0.000 0.841 24 R HN 0.484 nan 8.270 nan 0.000 0.429 25 N N -0.600 118.049 118.700 -0.085 0.000 2.184 25 N HA 0.135 4.875 4.740 -0.000 0.000 0.206 25 N C 0.238 175.737 175.510 -0.019 0.000 1.151 25 N CA 0.758 53.778 53.050 -0.050 0.000 0.878 25 N CB 1.678 40.134 38.487 -0.051 0.000 1.014 25 N HN 0.308 nan 8.380 nan 0.000 0.512 26 G N 1.105 109.909 108.800 0.007 0.000 2.796 26 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.571 26 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.571 26 G C -0.504 174.412 174.900 0.025 0.000 1.370 26 G CA -0.716 44.412 45.100 0.045 0.000 0.856 26 G HN 0.126 nan 8.290 nan 0.000 0.538 27 L N -0.010 121.236 121.223 0.040 0.000 2.475 27 L HA 0.383 4.723 4.340 -0.000 0.000 0.253 27 L C 1.414 178.287 176.870 0.005 0.000 1.198 27 L CA -0.497 54.358 54.840 0.025 0.000 0.814 27 L CB 0.544 42.631 42.059 0.047 0.000 1.134 27 L HN 0.718 nan 8.230 nan 0.000 0.478 28 K N 1.538 121.936 120.400 -0.003 0.000 2.412 28 K HA 0.236 4.556 4.320 -0.000 0.000 0.284 28 K C -0.213 176.381 176.600 -0.008 0.000 1.046 28 K CA -0.452 55.828 56.287 -0.012 0.000 0.999 28 K CB 0.705 33.196 32.500 -0.015 0.000 0.941 28 K HN 0.632 nan 8.250 nan 0.000 0.474 29 A N 3.860 126.665 122.820 -0.024 0.000 2.587 29 A HA -0.029 4.291 4.320 -0.000 0.000 0.235 29 A C 0.344 177.896 177.584 -0.054 0.000 1.044 29 A CA 0.451 52.462 52.037 -0.044 0.000 0.754 29 A CB 0.164 19.135 19.000 -0.047 0.000 0.968 29 A HN 0.796 nan 8.150 nan 0.000 0.509 30 T N 0.762 115.251 114.554 -0.108 0.000 2.909 30 T HA 0.400 4.750 4.350 -0.000 0.000 0.289 30 T C 1.247 175.879 174.700 -0.113 0.000 1.005 30 T CA 0.121 62.144 62.100 -0.128 0.000 1.084 30 T CB 0.466 69.121 68.868 -0.354 0.000 0.975 30 T HN 1.179 nan 8.240 nan 0.000 0.509 31 S N 2.783 118.445 115.700 -0.062 0.000 2.559 31 S HA 0.227 4.697 4.470 -0.000 0.000 0.226 31 S C 0.442 175.023 174.600 -0.032 0.000 1.000 31 S CA -0.515 57.658 58.200 -0.044 0.000 0.948 31 S CB -0.098 63.089 63.200 -0.022 0.000 0.870 31 S HN 0.633 nan 8.310 nan 0.000 0.497 32 N N 2.260 120.943 118.700 -0.028 0.000 2.752 32 N HA 0.439 5.179 4.740 -0.000 0.000 0.260 32 N C -3.396 172.128 175.510 0.024 0.000 1.562 32 N CA -1.638 51.420 53.050 0.015 0.000 0.788 32 N CB 0.961 39.483 38.487 0.057 0.000 1.192 32 N HN -0.002 nan 8.380 nan 0.000 0.503 33 P HA 0.032 nan 4.420 nan 0.000 0.262 33 P C -0.610 176.792 177.300 0.169 0.000 1.182 33 P CA 0.465 63.525 63.100 -0.067 0.000 0.761 33 P CB 0.549 32.203 31.700 -0.076 0.000 0.795 34 K N 1.791 122.468 120.400 0.462 0.000 2.400 34 K HA 0.399 4.719 4.320 -0.000 0.000 0.246 34 K C -0.729 176.078 176.600 0.346 0.000 0.995 34 K CA -0.875 55.639 56.287 0.379 0.000 0.840 34 K CB 1.266 34.015 32.500 0.415 0.000 1.293 34 K HN 0.461 nan 8.250 nan 0.000 0.445 35 H N 0.827 119.977 119.070 0.133 0.000 2.594 35 H HA 0.440 4.995 4.556 -0.000 0.000 0.304 35 H C -1.267 174.106 175.328 0.076 0.000 1.068 35 H CA -0.646 55.450 56.048 0.080 0.000 1.308 35 H CB 0.310 30.096 29.762 0.040 0.000 1.409 35 H HN 0.119 nan 8.280 nan 0.000 0.460 36 V N 6.588 126.587 119.914 0.142 0.000 2.487 36 V HA 0.272 4.392 4.120 -0.000 0.000 0.298 36 V C -0.242 175.788 176.094 -0.108 0.000 1.028 36 V CA -0.923 61.365 62.300 -0.021 0.000 0.860 36 V CB 1.788 33.592 31.823 -0.031 0.000 0.991 36 V HN 0.546 nan 8.190 nan 0.000 0.427 37 V N 5.829 125.639 119.914 -0.174 0.000 2.439 37 V HA 0.472 4.592 4.120 -0.000 0.000 0.282 37 V C -0.189 175.837 176.094 -0.112 0.000 1.039 37 V CA -0.454 61.743 62.300 -0.170 0.000 0.913 37 V CB 1.684 33.387 31.823 -0.199 0.000 0.983 37 V HN 0.576 nan 8.190 nan 0.000 0.460 38 I N 5.414 125.916 120.570 -0.113 0.000 2.362 38 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 38 I C -0.148 175.904 176.117 -0.107 0.000 0.994 38 I CA -0.558 60.687 61.300 -0.091 0.000 1.158 38 I CB 1.710 39.667 38.000 -0.072 0.000 1.315 38 I HN 0.232 nan 8.210 nan 0.000 0.451 39 V N 5.360 125.226 119.914 -0.079 0.000 2.334 39 V HA 0.745 4.865 4.120 -0.000 0.000 0.267 39 V C 0.582 176.650 176.094 -0.043 0.000 1.040 39 V CA -0.304 61.953 62.300 -0.072 0.000 0.866 39 V CB 0.512 32.312 31.823 -0.037 0.000 1.019 39 V HN 1.067 nan 8.190 nan 0.000 0.468 40 G N 4.180 112.935 108.800 -0.074 0.000 3.225 40 G HA2 0.269 4.229 3.960 -0.000 0.000 0.686 40 G HA3 0.269 4.229 3.960 -0.000 0.000 0.686 40 G C -0.198 174.671 174.900 -0.051 0.000 1.105 40 G CA -0.359 44.710 45.100 -0.052 0.000 0.831 40 G HN 1.454 nan 8.290 nan 0.000 0.578 41 A N 1.869 124.655 122.820 -0.057 0.000 3.181 41 A HA 0.777 5.097 4.320 -0.000 0.000 0.293 41 A C 1.318 178.896 177.584 -0.009 0.000 1.346 41 A CA 1.050 53.064 52.037 -0.037 0.000 1.018 41 A CB -0.250 18.718 19.000 -0.054 0.000 1.093 41 A HN 2.082 nan 8.150 nan 0.000 0.629 42 G N -1.070 107.728 108.800 -0.004 0.000 2.525 42 G HA2 0.416 4.376 3.960 -0.000 0.000 0.287 42 G HA3 0.416 4.376 3.960 -0.000 0.000 0.287 42 G C 0.971 175.862 174.900 -0.014 0.000 1.350 42 G CA -0.499 44.602 45.100 0.002 0.000 1.039 42 G HN 0.121 nan 8.290 nan 0.000 0.513 43 M N 0.089 119.676 119.600 -0.022 0.000 2.159 43 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 43 M C 2.817 179.087 176.300 -0.051 0.000 1.063 43 M CA 1.490 56.763 55.300 -0.045 0.000 1.110 43 M CB -1.583 30.994 32.600 -0.039 0.000 1.374 43 M HN 0.590 nan 8.290 nan 0.000 0.411 44 A N 0.055 122.858 122.820 -0.028 0.000 1.873 44 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 44 A C 2.452 180.020 177.584 -0.026 0.000 1.186 44 A CA 1.932 53.950 52.037 -0.030 0.000 0.616 44 A CB -1.419 17.572 19.000 -0.016 0.000 0.823 44 A HN 0.484 nan 8.150 nan 0.000 0.442 45 G N -0.240 108.551 108.800 -0.015 0.000 2.421 45 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 45 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 45 G C 1.574 176.467 174.900 -0.012 0.000 1.171 45 G CA 1.006 46.096 45.100 -0.016 0.000 0.775 45 G HN 0.408 nan 8.290 nan 0.000 0.543 46 L N 0.796 122.011 121.223 -0.013 0.000 2.046 46 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 46 L C 3.220 180.099 176.870 0.015 0.000 1.077 46 L CA 1.227 56.072 54.840 0.007 0.000 0.747 46 L CB -0.336 41.715 42.059 -0.012 0.000 0.896 46 L HN 0.184 nan 8.230 nan 0.000 0.432 47 S N -0.114 115.554 115.700 -0.054 0.000 2.356 47 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 47 S C 2.211 176.843 174.600 0.052 0.000 1.032 47 S CA 1.191 59.346 58.200 -0.075 0.000 1.005 47 S CB -0.339 62.775 63.200 -0.142 0.000 0.867 47 S HN 0.499 nan 8.310 nan 0.000 0.449 48 A N 1.727 124.560 122.820 0.021 0.000 1.883 48 A HA 0.054 4.374 4.320 -0.000 0.000 0.217 48 A C 2.375 179.982 177.584 0.038 0.000 1.186 48 A CA 1.839 53.887 52.037 0.019 0.000 0.624 48 A CB -1.188 17.799 19.000 -0.021 0.000 0.822 48 A HN 0.521 nan 8.150 nan 0.000 0.444 49 A N -1.679 121.167 122.820 0.043 0.000 1.902 49 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 49 A C 2.146 179.786 177.584 0.092 0.000 1.181 49 A CA 1.680 53.746 52.037 0.049 0.000 0.623 49 A CB -0.848 18.176 19.000 0.040 0.000 0.818 49 A HN 0.708 nan 8.150 nan 0.000 0.443 50 Y N 1.087 121.403 120.300 0.027 0.000 2.097 50 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 50 Y C 2.532 178.488 175.900 0.092 0.000 1.152 50 Y CA 2.633 60.775 58.100 0.070 0.000 1.136 50 Y CB -0.262 38.250 38.460 0.086 0.000 0.975 50 Y HN 0.205 nan 8.280 nan 0.000 0.498 51 V N -1.808 118.233 119.914 0.211 0.000 2.548 51 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 51 V C 2.111 178.237 176.094 0.053 0.000 1.055 51 V CA 1.709 64.088 62.300 0.133 0.000 1.065 51 V CB -0.994 30.951 31.823 0.204 0.000 0.681 51 V HN 0.445 nan 8.190 nan 0.000 0.462 52 L N 0.633 121.886 121.223 0.050 0.000 2.093 52 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 52 L C 2.998 179.925 176.870 0.095 0.000 1.085 52 L CA 1.493 56.376 54.840 0.072 0.000 0.755 52 L CB -0.752 41.303 42.059 -0.006 0.000 0.904 52 L HN 0.420 nan 8.230 nan 0.000 0.435 53 A N 0.223 123.050 122.820 0.012 0.000 1.898 53 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 53 A C 2.380 179.921 177.584 -0.072 0.000 1.181 53 A CA 1.576 53.598 52.037 -0.024 0.000 0.620 53 A CB -1.192 17.768 19.000 -0.067 0.000 0.819 53 A HN 0.422 nan 8.150 nan 0.000 0.442 54 G N -0.602 108.115 108.800 -0.138 0.000 2.432 54 G HA2 0.049 4.009 3.960 -0.000 0.000 0.219 54 G HA3 0.049 4.009 3.960 -0.000 0.000 0.219 54 G C 1.528 176.389 174.900 -0.065 0.000 1.135 54 G CA 1.172 46.188 45.100 -0.140 0.000 0.767 54 G HN 0.812 nan 8.290 nan 0.000 0.550 55 A N -0.528 122.282 122.820 -0.017 0.000 2.167 55 A HA 0.447 4.767 4.320 -0.000 0.000 0.214 55 A C 2.022 179.546 177.584 -0.101 0.000 1.151 55 A CA 1.491 53.521 52.037 -0.012 0.000 0.735 55 A CB -0.322 18.732 19.000 0.091 0.000 0.802 55 A HN 1.566 nan 8.150 nan 0.000 0.467 56 G N -2.102 106.640 108.800 -0.098 0.000 2.184 56 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.206 56 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.206 56 G C 0.030 174.817 174.900 -0.188 0.000 0.995 56 G CA 0.180 45.188 45.100 -0.153 0.000 0.651 56 G HN 0.698 nan 8.290 nan 0.000 0.511 57 H N 0.227 119.288 119.070 -0.014 0.000 2.546 57 H HA 0.559 5.115 4.556 -0.000 0.000 0.365 57 H C 0.599 175.935 175.328 0.014 0.000 1.220 57 H CA 0.314 56.368 56.048 0.010 0.000 1.386 57 H CB 0.754 30.527 29.762 0.018 0.000 1.510 57 H HN 0.262 nan 8.280 nan 0.000 0.591 58 Q N 2.349 122.260 119.800 0.184 0.000 2.349 58 Q HA 0.347 4.687 4.340 -0.000 0.000 0.254 58 Q C -1.163 174.958 176.000 0.203 0.000 0.980 58 Q CA -0.800 55.064 55.803 0.102 0.000 0.924 58 Q CB 0.497 29.225 28.738 -0.017 0.000 1.209 58 Q HN 0.525 nan 8.270 nan 0.000 0.445 59 V N 1.599 121.592 119.914 0.131 0.000 2.581 59 V HA 0.739 4.859 4.120 -0.000 0.000 0.303 59 V C -0.633 175.517 176.094 0.094 0.000 1.041 59 V CA -0.386 61.986 62.300 0.119 0.000 0.907 59 V CB 2.029 33.885 31.823 0.054 0.000 0.994 59 V HN 0.689 nan 8.190 nan 0.000 0.442 60 T N 4.350 118.939 114.554 0.057 0.000 2.864 60 T HA 0.547 4.896 4.350 -0.000 0.000 0.299 60 T C -0.514 174.081 174.700 -0.176 0.000 1.011 60 T CA -0.315 61.747 62.100 -0.064 0.000 0.975 60 T CB 1.246 70.096 68.868 -0.031 0.000 0.962 60 T HN 0.737 nan 8.240 nan 0.000 0.448 61 V N 5.410 125.202 119.914 -0.203 0.000 2.394 61 V HA 0.465 4.585 4.120 -0.000 0.000 0.282 61 V C -0.170 175.724 176.094 -0.334 0.000 1.031 61 V CA -0.772 61.402 62.300 -0.210 0.000 0.881 61 V CB 1.132 32.873 31.823 -0.136 0.000 0.982 61 V HN 0.731 nan 8.190 nan 0.000 0.451 62 L N 4.474 125.499 121.223 -0.329 0.000 2.294 62 L HA 0.606 4.946 4.340 -0.000 0.000 0.283 62 L C -0.271 176.436 176.870 -0.272 0.000 1.015 62 L CA -0.433 54.171 54.840 -0.394 0.000 0.831 62 L CB 1.583 43.353 42.059 -0.480 0.000 1.217 62 L HN 0.618 nan 8.230 nan 0.000 0.420 63 E N 2.329 122.370 120.200 -0.265 0.000 2.158 63 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 63 E C 0.392 176.904 176.600 -0.147 0.000 0.911 63 E CA -0.296 55.994 56.400 -0.183 0.000 0.767 63 E CB 2.057 31.669 29.700 -0.147 0.000 1.120 63 E HN 0.563 nan 8.360 nan 0.000 0.405 64 A N 3.694 126.373 122.820 -0.235 0.000 1.902 64 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 64 A C 1.282 178.665 177.584 -0.336 0.000 1.181 64 A CA 1.520 53.376 52.037 -0.302 0.000 0.623 64 A CB -0.764 17.944 19.000 -0.488 0.000 0.818 64 A HN 0.709 nan 8.150 nan 0.000 0.443 65 S N -0.239 115.184 115.700 -0.461 0.000 2.652 65 S HA 0.261 4.731 4.470 -0.000 0.000 0.267 65 S C 0.787 175.388 174.600 0.000 0.000 1.201 65 S CA 0.256 58.342 58.200 -0.192 0.000 0.996 65 S CB 0.490 63.602 63.200 -0.147 0.000 1.054 65 S HN 0.481 nan 8.310 nan 0.000 0.561 66 E N 0.235 120.406 120.200 -0.049 0.000 2.479 66 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 66 E C 0.417 176.637 176.600 -0.633 0.000 1.049 66 E CA -0.210 56.075 56.400 -0.192 0.000 0.870 66 E CB -0.258 29.358 29.700 -0.140 0.000 0.944 66 E HN 0.754 nan 8.360 nan 0.000 0.492 67 R N -0.049 120.157 120.500 -0.490 0.000 2.799 67 R HA 0.624 4.964 4.340 -0.000 0.000 0.270 67 R C -3.083 173.088 176.300 -0.214 0.000 1.010 67 R CA -1.872 53.844 56.100 -0.639 0.000 0.916 67 R CB 1.426 31.521 30.300 -0.341 0.000 1.228 67 R HN -0.212 nan 8.270 nan 0.000 0.469 68 P HA 0.291 nan 4.420 nan 0.000 0.287 68 P C 0.059 177.343 177.300 -0.027 0.000 1.270 68 P CA 0.261 63.362 63.100 0.002 0.000 0.844 68 P CB 1.866 33.516 31.700 -0.082 0.000 1.068 69 G N 0.230 109.031 108.800 0.002 0.000 2.428 69 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.199 69 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.199 69 G C 0.701 175.615 174.900 0.022 0.000 1.005 69 G CA 0.397 45.499 45.100 0.003 0.000 0.671 69 G HN 0.903 nan 8.290 nan 0.000 0.485 70 G N 0.601 109.428 108.800 0.046 0.000 2.634 70 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.318 70 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.318 70 G C 0.998 175.969 174.900 0.119 0.000 1.207 70 G CA 1.522 46.669 45.100 0.080 0.000 0.987 70 G HN 1.101 nan 8.290 nan 0.000 0.547 71 R N -0.162 120.333 120.500 -0.009 0.000 2.280 71 R HA 0.221 4.561 4.340 -0.000 0.000 0.207 71 R C 0.788 176.987 176.300 -0.169 0.000 1.043 71 R CA 0.588 56.526 56.100 -0.270 0.000 1.006 71 R CB -0.003 29.962 30.300 -0.559 0.000 0.885 71 R HN 0.242 nan 8.270 nan 0.000 0.467 72 V N 2.348 122.237 119.914 -0.041 0.000 2.356 72 V HA 0.171 4.291 4.120 -0.000 0.000 0.258 72 V C 0.090 176.229 176.094 0.074 0.000 1.065 72 V CA -0.040 62.259 62.300 -0.001 0.000 0.935 72 V CB 0.408 32.224 31.823 -0.011 0.000 1.061 72 V HN 0.156 nan 8.190 nan 0.000 0.484 73 R N 3.106 123.698 120.500 0.154 0.000 2.621 73 R HA 0.647 4.987 4.340 -0.000 0.000 0.284 73 R C -1.118 175.268 176.300 0.143 0.000 0.998 73 R CA -0.392 55.810 56.100 0.170 0.000 0.895 73 R CB 2.214 32.696 30.300 0.303 0.000 1.195 73 R HN 0.591 nan 8.270 nan 0.000 0.450 74 T N 3.419 118.017 114.554 0.072 0.000 2.841 74 T HA 0.203 4.553 4.350 -0.000 0.000 0.285 74 T C -1.433 173.301 174.700 0.056 0.000 0.991 74 T CA -0.410 61.733 62.100 0.071 0.000 0.966 74 T CB 0.715 69.568 68.868 -0.026 0.000 0.962 74 T HN 0.445 nan 8.240 nan 0.000 0.438 75 Y N 3.712 123.986 120.300 -0.044 0.000 2.316 75 Y HA 0.548 5.098 4.550 -0.000 0.000 0.331 75 Y C 0.331 176.143 175.900 -0.147 0.000 1.083 75 Y CA -0.412 57.622 58.100 -0.110 0.000 1.206 75 Y CB 0.550 38.924 38.460 -0.144 0.000 1.195 75 Y HN 0.471 nan 8.280 nan 0.000 0.497 76 R N 4.482 124.552 120.500 -0.716 0.000 2.750 76 R HA 0.267 4.607 4.340 -0.000 0.000 0.281 76 R C -1.385 174.384 176.300 -0.886 0.000 0.972 76 R CA -1.031 54.695 56.100 -0.623 0.000 0.912 76 R CB 1.800 31.883 30.300 -0.362 0.000 1.187 76 R HN 0.799 nan 8.270 nan 0.000 0.464 77 N N 1.118 119.287 118.700 -0.885 0.000 2.762 77 N HA 0.057 4.796 4.740 -0.000 0.000 0.252 77 N C -0.086 175.115 175.510 -0.516 0.000 1.269 77 N CA -0.047 52.549 53.050 -0.757 0.000 0.799 77 N CB 0.904 38.758 38.487 -1.054 0.000 1.173 77 N HN 0.476 nan 8.380 nan 0.000 0.516 78 E N 0.967 120.967 120.200 -0.333 0.000 2.065 78 E HA -0.258 4.092 4.350 -0.000 0.000 0.201 78 E C 0.966 177.483 176.600 -0.139 0.000 1.016 78 E CA 1.784 58.063 56.400 -0.202 0.000 0.818 78 E CB 0.174 29.785 29.700 -0.148 0.000 0.749 78 E HN 0.635 nan 8.360 nan 0.000 0.453 79 E N -0.339 119.790 120.200 -0.118 0.000 2.110 79 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 79 E C 1.859 178.452 176.600 -0.011 0.000 0.988 79 E CA 0.979 57.349 56.400 -0.051 0.000 0.804 79 E CB -0.128 29.550 29.700 -0.037 0.000 0.745 79 E HN 0.279 nan 8.360 nan 0.000 0.458 80 A N 0.528 123.334 122.820 -0.023 0.000 2.167 80 A HA 0.213 4.533 4.320 -0.000 0.000 0.214 80 A C 1.697 179.372 177.584 0.151 0.000 1.151 80 A CA 0.752 52.870 52.037 0.134 0.000 0.735 80 A CB -0.350 18.849 19.000 0.332 0.000 0.802 80 A HN 0.314 nan 8.150 nan 0.000 0.467 81 G N -1.274 107.501 108.800 -0.042 0.000 2.225 81 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 81 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 81 G C -0.109 174.661 174.900 -0.216 0.000 1.060 81 G CA 0.426 45.497 45.100 -0.050 0.000 0.833 81 G HN 1.394 nan 8.290 nan 0.000 0.498 82 W N -1.629 119.371 121.300 -0.500 0.000 3.025 82 W HA 0.729 5.389 4.660 -0.000 0.000 0.343 82 W C -0.769 175.481 176.519 -0.449 0.000 1.246 82 W CA -1.549 55.115 57.345 -1.133 0.000 1.178 82 W CB 0.647 29.506 29.460 -1.001 0.000 1.463 82 W HN 0.574 nan 8.180 nan 0.000 0.578 83 Y N -0.255 120.056 120.300 0.019 0.000 2.644 83 Y HA 0.877 5.427 4.550 -0.000 0.000 0.338 83 Y C -1.563 174.680 175.900 0.573 0.000 1.119 83 Y CA -1.862 56.352 58.100 0.191 0.000 1.060 83 Y CB 1.242 39.766 38.460 0.106 0.000 1.294 83 Y HN 0.843 nan 8.280 nan 0.000 0.472 84 A N 2.182 125.377 122.820 0.626 0.000 2.437 84 A HA 0.498 4.818 4.320 -0.000 0.000 0.293 84 A C -1.792 175.959 177.584 0.277 0.000 1.038 84 A CA -1.028 51.226 52.037 0.362 0.000 0.708 84 A CB 0.834 19.757 19.000 -0.128 0.000 1.251 84 A HN 0.713 nan 8.150 nan 0.000 0.409 85 N N 2.852 121.793 118.700 0.401 0.000 2.405 85 N HA 0.194 4.934 4.740 -0.000 0.000 0.260 85 N C 1.058 176.738 175.510 0.283 0.000 1.152 85 N CA -0.102 53.129 53.050 0.302 0.000 0.948 85 N CB 1.117 39.790 38.487 0.310 0.000 1.111 85 N HN 0.666 nan 8.380 nan 0.000 0.485 86 L N 0.599 121.958 121.223 0.227 0.000 2.240 86 L HA 0.054 4.394 4.340 -0.000 0.000 0.211 86 L C 1.752 178.990 176.870 0.612 0.000 1.106 86 L CA 0.807 55.861 54.840 0.358 0.000 0.793 86 L CB -0.170 42.023 42.059 0.222 0.000 0.927 86 L HN 0.493 nan 8.230 nan 0.000 0.446 87 G N -0.553 108.509 108.800 0.437 0.000 3.110 87 G HA2 0.268 4.227 3.960 -0.000 0.000 0.207 87 G HA3 0.268 4.227 3.960 -0.000 0.000 0.207 87 G C -2.348 172.519 174.900 -0.055 0.000 1.841 87 G CA -0.245 44.940 45.100 0.141 0.000 0.751 87 G HN 0.004 nan 8.290 nan 0.000 0.771 88 P HA 0.159 nan 4.420 nan 0.000 0.266 88 P C 0.380 177.641 177.300 -0.065 0.000 1.193 88 P CA 0.876 63.907 63.100 -0.116 0.000 0.770 88 P CB 0.656 32.313 31.700 -0.071 0.000 0.836 89 M N 1.242 120.759 119.600 -0.138 0.000 2.163 89 M HA 0.262 4.742 4.480 -0.000 0.000 0.356 89 M C -0.158 175.963 176.300 -0.297 0.000 0.863 89 M CA -0.066 55.155 55.300 -0.133 0.000 1.113 89 M CB 0.917 33.411 32.600 -0.175 0.000 2.038 89 M HN 0.107 nan 8.290 nan 0.000 0.691 90 R N 1.108 121.432 120.500 -0.293 0.000 2.668 90 R HA 0.826 5.166 4.340 -0.000 0.000 0.272 90 R C -1.914 174.492 176.300 0.176 0.000 1.019 90 R CA -0.866 55.102 56.100 -0.220 0.000 0.894 90 R CB 1.840 31.736 30.300 -0.673 0.000 1.228 90 R HN 0.236 nan 8.270 nan 0.000 0.460 91 L N 1.596 122.946 121.223 0.212 0.000 2.406 91 L HA 0.505 4.844 4.340 -0.000 0.000 0.272 91 L C -2.518 174.262 176.870 -0.150 0.000 0.980 91 L CA -2.535 52.400 54.840 0.157 0.000 0.831 91 L CB 2.537 44.676 42.059 0.134 0.000 1.253 91 L HN 0.389 nan 8.230 nan 0.000 0.406 92 P HA 0.014 nan 4.420 nan 0.000 0.268 92 P C 0.452 177.361 177.300 -0.652 0.000 1.205 92 P CA -0.090 62.298 63.100 -1.187 0.000 0.771 92 P CB 0.864 31.631 31.700 -1.554 0.000 0.858 93 E N 3.296 123.163 120.200 -0.555 0.000 2.160 93 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 93 E C 1.552 178.022 176.600 -0.216 0.000 0.991 93 E CA 1.206 57.439 56.400 -0.279 0.000 0.810 93 E CB -0.058 29.511 29.700 -0.219 0.000 0.742 93 E HN 0.311 nan 8.360 nan 0.000 0.466 94 K N 0.036 120.250 120.400 -0.311 0.000 2.442 94 K HA -0.115 4.204 4.320 -0.000 0.000 0.198 94 K C -0.040 176.548 176.600 -0.020 0.000 1.042 94 K CA 0.635 56.807 56.287 -0.193 0.000 0.958 94 K CB -0.126 32.213 32.500 -0.269 0.000 0.766 94 K HN 0.302 nan 8.250 nan 0.000 0.474 95 H N 1.244 120.221 119.070 -0.155 0.000 3.092 95 H HA 0.109 4.665 4.556 -0.000 0.000 0.263 95 H C 0.502 175.869 175.328 0.064 0.000 1.611 95 H CA -1.037 54.991 56.048 -0.033 0.000 1.457 95 H CB 0.659 30.382 29.762 -0.065 0.000 1.731 95 H HN 0.108 nan 8.280 nan 0.000 0.532 96 R N 2.071 122.732 120.500 0.269 0.000 2.115 96 R HA -0.077 4.263 4.340 -0.000 0.000 0.230 96 R C 1.764 178.108 176.300 0.074 0.000 1.111 96 R CA 0.580 56.774 56.100 0.156 0.000 0.976 96 R CB -0.488 29.910 30.300 0.164 0.000 0.870 96 R HN 0.584 nan 8.270 nan 0.000 0.445 97 I N 0.352 120.972 120.570 0.083 0.000 2.163 97 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 97 I C 2.448 178.639 176.117 0.125 0.000 1.081 97 I CA 1.149 62.456 61.300 0.012 0.000 1.353 97 I CB -0.393 37.600 38.000 -0.013 0.000 1.054 97 I HN -0.047 nan 8.210 nan 0.000 0.407 98 V N 1.234 121.246 119.914 0.163 0.000 2.407 98 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 98 V C 2.575 178.766 176.094 0.162 0.000 1.055 98 V CA 1.876 64.295 62.300 0.198 0.000 1.049 98 V CB -0.491 31.437 31.823 0.175 0.000 0.662 98 V HN 0.345 nan 8.190 nan 0.000 0.455 99 R N -0.260 120.305 120.500 0.108 0.000 2.115 99 R HA -0.162 4.178 4.340 -0.000 0.000 0.230 99 R C 2.242 178.542 176.300 0.001 0.000 1.111 99 R CA 1.545 57.681 56.100 0.061 0.000 0.976 99 R CB -0.261 30.066 30.300 0.045 0.000 0.870 99 R HN 0.638 nan 8.270 nan 0.000 0.445 100 E N 0.227 120.392 120.200 -0.058 0.000 2.072 100 E HA -0.185 4.164 4.350 -0.000 0.000 0.191 100 E C 1.354 177.777 176.600 -0.295 0.000 0.985 100 E CA 1.541 57.822 56.400 -0.198 0.000 0.801 100 E CB -0.257 29.262 29.700 -0.300 0.000 0.750 100 E HN 0.401 nan 8.360 nan 0.000 0.452 101 Y N 0.040 120.258 120.300 -0.136 0.000 2.242 101 Y HA -0.042 4.508 4.550 -0.000 0.000 0.291 101 Y C 2.228 178.039 175.900 -0.148 0.000 1.137 101 Y CA 1.193 59.142 58.100 -0.252 0.000 1.181 101 Y CB -0.077 38.337 38.460 -0.076 0.000 0.989 101 Y HN 0.054 nan 8.280 nan 0.000 0.527 102 I N -0.160 120.498 120.570 0.147 0.000 2.208 102 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 102 I C 2.716 178.876 176.117 0.072 0.000 1.097 102 I CA 1.470 62.864 61.300 0.156 0.000 1.363 102 I CB -0.323 37.748 38.000 0.118 0.000 1.051 102 I HN 0.170 nan 8.210 nan 0.000 0.413 103 R N 1.484 121.975 120.500 -0.014 0.000 2.075 103 R HA -0.200 4.140 4.340 -0.000 0.000 0.232 103 R C 2.323 178.565 176.300 -0.096 0.000 1.126 103 R CA 1.532 57.607 56.100 -0.042 0.000 0.963 103 R CB -0.201 30.060 30.300 -0.064 0.000 0.858 103 R HN 0.220 nan 8.270 nan 0.000 0.435 104 K N -0.196 120.061 120.400 -0.239 0.000 2.103 104 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 104 K C 0.964 177.388 176.600 -0.294 0.000 1.048 104 K CA 1.454 57.523 56.287 -0.364 0.000 0.930 104 K CB -0.073 32.027 32.500 -0.667 0.000 0.716 104 K HN 0.154 nan 8.250 nan 0.000 0.444 105 F N 1.696 121.665 119.950 0.031 0.000 2.692 105 F HA 0.106 4.633 4.527 -0.000 0.000 0.303 105 F C -0.119 175.695 175.800 0.024 0.000 1.114 105 F CA -0.236 57.782 58.000 0.031 0.000 1.361 105 F CB -0.029 38.987 39.000 0.026 0.000 1.063 105 F HN 0.055 nan 8.300 nan 0.000 0.550 106 D N 1.058 121.536 120.400 0.129 0.000 2.708 106 D HA -0.214 4.426 4.640 -0.000 0.000 0.236 106 D C -0.084 176.274 176.300 0.096 0.000 1.146 106 D CA 0.641 54.695 54.000 0.089 0.000 0.662 106 D CB -1.266 39.581 40.800 0.079 0.000 1.059 106 D HN 0.259 nan 8.370 nan 0.000 0.428 107 L N -0.272 121.019 121.223 0.112 0.000 2.399 107 L HA 0.467 4.806 4.340 -0.000 0.000 0.265 107 L C 1.147 178.059 176.870 0.071 0.000 1.089 107 L CA -0.772 54.124 54.840 0.094 0.000 0.802 107 L CB 0.900 43.029 42.059 0.115 0.000 1.180 107 L HN -0.231 nan 8.230 nan 0.000 0.454 108 R N 1.968 122.505 120.500 0.061 0.000 2.668 108 R HA 0.692 5.032 4.340 -0.000 0.000 0.279 108 R C -0.820 175.521 176.300 0.067 0.000 0.976 108 R CA -0.788 55.348 56.100 0.059 0.000 0.978 108 R CB 1.318 31.652 30.300 0.056 0.000 1.133 108 R HN 0.478 nan 8.270 nan 0.000 0.484 109 L N 1.242 122.506 121.223 0.070 0.000 2.334 109 L HA 0.479 4.819 4.340 -0.000 0.000 0.273 109 L C -0.218 176.710 176.870 0.095 0.000 1.013 109 L CA -0.948 53.944 54.840 0.086 0.000 0.816 109 L CB 1.851 43.956 42.059 0.077 0.000 1.278 109 L HN 0.547 nan 8.230 nan 0.000 0.431 110 N N 0.718 119.494 118.700 0.127 0.000 2.295 110 N HA 0.148 4.887 4.740 -0.000 0.000 0.293 110 N C -0.944 174.671 175.510 0.176 0.000 1.040 110 N CA -0.636 52.497 53.050 0.138 0.000 0.840 110 N CB 1.941 40.521 38.487 0.155 0.000 1.468 110 N HN 0.573 nan 8.380 nan 0.000 0.478 111 E N 2.832 123.121 120.200 0.149 0.000 2.465 111 E HA 0.010 4.360 4.350 -0.000 0.000 0.260 111 E C -1.153 175.584 176.600 0.228 0.000 0.980 111 E CA 0.066 56.572 56.400 0.177 0.000 0.927 111 E CB 0.351 30.124 29.700 0.121 0.000 0.934 111 E HN 0.466 nan 8.360 nan 0.000 0.459 112 F N 4.474 124.514 119.950 0.150 0.000 2.361 112 F HA 0.234 4.761 4.527 -0.000 0.000 0.364 112 F C -0.133 175.740 175.800 0.121 0.000 1.117 112 F CA -0.619 57.469 58.000 0.148 0.000 1.071 112 F CB 1.276 40.377 39.000 0.168 0.000 1.188 112 F HN 0.353 nan 8.300 nan 0.000 0.464 113 S N 4.741 120.353 115.700 -0.148 0.000 2.510 113 S HA 0.082 4.552 4.470 -0.000 0.000 0.279 113 S C 0.934 175.535 174.600 0.002 0.000 1.284 113 S CA -0.531 57.644 58.200 -0.042 0.000 1.059 113 S CB 0.844 63.993 63.200 -0.085 0.000 0.901 113 S HN 0.818 nan 8.310 nan 0.000 0.491 114 Q N 2.380 122.230 119.800 0.083 0.000 2.311 114 Q HA 0.098 4.438 4.340 -0.000 0.000 0.203 114 Q C 0.288 176.311 176.000 0.037 0.000 0.954 114 Q CA 0.867 56.708 55.803 0.063 0.000 0.885 114 Q CB 0.045 28.761 28.738 -0.038 0.000 0.963 114 Q HN 0.964 nan 8.270 nan 0.000 0.471 115 E N -1.046 119.157 120.200 0.006 0.000 2.401 115 E HA 0.476 4.826 4.350 -0.000 0.000 0.280 115 E C -1.451 175.124 176.600 -0.041 0.000 1.039 115 E CA -0.824 55.562 56.400 -0.024 0.000 0.814 115 E CB 1.020 30.716 29.700 -0.006 0.000 1.275 115 E HN -0.043 nan 8.360 nan 0.000 0.448 116 N N 0.532 119.188 118.700 -0.074 0.000 2.500 116 N HA 0.183 4.923 4.740 -0.000 0.000 0.291 116 N C -0.619 174.815 175.510 -0.127 0.000 1.092 116 N CA -0.477 52.517 53.050 -0.092 0.000 0.890 116 N CB 1.335 39.751 38.487 -0.118 0.000 1.466 116 N HN 0.521 nan 8.380 nan 0.000 0.507 117 D N 1.935 122.275 120.400 -0.100 0.000 2.265 117 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 117 D C 0.464 176.641 176.300 -0.204 0.000 0.977 117 D CA 1.369 55.303 54.000 -0.110 0.000 0.871 117 D CB 0.062 40.819 40.800 -0.071 0.000 0.925 117 D HN 0.620 nan 8.370 nan 0.000 0.485 118 N N -0.073 118.479 118.700 -0.248 0.000 2.412 118 N HA 0.115 4.855 4.740 -0.000 0.000 0.184 118 N C 0.649 175.788 175.510 -0.619 0.000 1.101 118 N CA 0.050 52.870 53.050 -0.383 0.000 0.881 118 N CB 0.392 38.713 38.487 -0.276 0.000 0.969 118 N HN 0.059 nan 8.380 nan 0.000 0.459 119 A N 0.286 122.811 122.820 -0.491 0.000 2.262 119 A HA 0.431 4.750 4.320 -0.000 0.000 0.273 119 A C -0.725 176.491 177.584 -0.613 0.000 1.202 119 A CA -0.068 51.669 52.037 -0.500 0.000 0.811 119 A CB 0.206 19.065 19.000 -0.235 0.000 1.159 119 A HN 0.272 nan 8.150 nan 0.000 0.505 120 W N -2.878 118.346 121.300 -0.127 0.000 2.799 120 W HA 0.613 5.273 4.660 -0.000 0.000 0.349 120 W C -1.276 175.158 176.519 -0.140 0.000 1.100 120 W CA -0.197 57.095 57.345 -0.088 0.000 1.174 120 W CB 1.174 30.585 29.460 -0.082 0.000 1.427 120 W HN 0.527 nan 8.180 nan 0.000 0.547 121 Y N 1.522 122.029 120.300 0.344 0.000 2.341 121 Y HA 0.454 5.004 4.550 -0.000 0.000 0.338 121 Y C -0.853 175.198 175.900 0.251 0.000 0.965 121 Y CA -0.979 57.247 58.100 0.211 0.000 1.108 121 Y CB 1.406 39.950 38.460 0.141 0.000 1.180 121 Y HN 0.234 nan 8.280 nan 0.000 0.458 122 F N 6.128 126.185 119.950 0.178 0.000 2.676 122 F HA 0.555 5.082 4.527 -0.000 0.000 0.371 122 F C -1.729 174.095 175.800 0.039 0.000 1.141 122 F CA -0.856 57.182 58.000 0.062 0.000 1.133 122 F CB 0.238 39.224 39.000 -0.024 0.000 1.376 122 F HN 0.222 nan 8.300 nan 0.000 0.491 123 I N 5.232 125.658 120.570 -0.240 0.000 2.465 123 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 123 I C 0.202 176.110 176.117 -0.347 0.000 1.014 123 I CA -0.937 60.243 61.300 -0.199 0.000 1.093 123 I CB 1.877 39.849 38.000 -0.046 0.000 1.267 123 I HN 0.491 nan 8.210 nan 0.000 0.431 124 K N 4.451 124.671 120.400 -0.301 0.000 3.071 124 K HA -0.264 4.055 4.320 -0.000 0.000 0.262 124 K C 0.122 176.509 176.600 -0.355 0.000 0.977 124 K CA 0.922 57.040 56.287 -0.282 0.000 0.721 124 K CB -1.233 31.104 32.500 -0.271 0.000 1.293 124 K HN 0.848 nan 8.250 nan 0.000 0.475 125 N N -1.344 117.013 118.700 -0.572 0.000 2.753 125 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 125 N C -0.509 174.638 175.510 -0.605 0.000 1.097 125 N CA 1.188 53.843 53.050 -0.658 0.000 0.786 125 N CB -0.697 37.647 38.487 -0.237 0.000 1.137 125 N HN 0.401 nan 8.380 nan 0.000 0.566 126 I N 0.751 120.962 120.570 -0.598 0.000 2.336 126 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 126 I C 0.491 176.449 176.117 -0.265 0.000 0.991 126 I CA -0.543 60.567 61.300 -0.318 0.000 1.227 126 I CB 1.544 39.420 38.000 -0.208 0.000 1.366 126 I HN 0.073 nan 8.210 nan 0.000 0.466 127 R N 6.751 127.230 120.500 -0.035 0.000 2.310 127 R HA 0.483 4.823 4.340 -0.000 0.000 0.324 127 R C -1.243 175.211 176.300 0.255 0.000 0.955 127 R CA -0.605 55.606 56.100 0.185 0.000 0.830 127 R CB 0.795 31.222 30.300 0.211 0.000 1.154 127 R HN 0.472 nan 8.270 nan 0.000 0.458 128 K N 3.106 123.742 120.400 0.393 0.000 2.508 128 K HA 0.334 4.654 4.320 -0.000 0.000 0.260 128 K C -0.910 175.974 176.600 0.472 0.000 0.949 128 K CA -1.061 55.459 56.287 0.389 0.000 0.834 128 K CB 1.868 34.496 32.500 0.213 0.000 1.365 128 K HN 0.408 nan 8.250 nan 0.000 0.437 129 K N 1.203 121.741 120.400 0.230 0.000 2.355 129 K HA 0.091 4.411 4.320 -0.000 0.000 0.270 129 K C 1.310 177.960 176.600 0.083 0.000 1.003 129 K CA -0.029 56.197 56.287 -0.101 0.000 0.957 129 K CB 0.888 33.249 32.500 -0.231 0.000 0.939 129 K HN 0.270 nan 8.250 nan 0.000 0.482 130 V N 2.493 122.403 119.914 -0.006 0.000 2.392 130 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 130 V C 2.239 178.410 176.094 0.129 0.000 1.059 130 V CA 2.465 64.849 62.300 0.140 0.000 1.051 130 V CB -0.697 31.075 31.823 -0.085 0.000 0.658 130 V HN 1.025 nan 8.190 nan 0.000 0.455 131 G N -0.571 108.233 108.800 0.006 0.000 2.422 131 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 131 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 131 G C 1.437 176.354 174.900 0.029 0.000 1.146 131 G CA 0.870 45.973 45.100 0.005 0.000 0.769 131 G HN 0.592 nan 8.290 nan 0.000 0.547 132 E N -0.020 120.202 120.200 0.035 0.000 2.047 132 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 132 E C 2.705 179.329 176.600 0.040 0.000 0.987 132 E CA 1.006 57.430 56.400 0.040 0.000 0.799 132 E CB -0.173 29.560 29.700 0.054 0.000 0.752 132 E HN 0.300 nan 8.360 nan 0.000 0.449 133 V N 1.698 121.648 119.914 0.061 0.000 2.490 133 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 133 V C 2.077 178.173 176.094 0.004 0.000 1.061 133 V CA 1.653 63.944 62.300 -0.015 0.000 1.064 133 V CB -0.403 31.309 31.823 -0.184 0.000 0.670 133 V HN 0.186 nan 8.190 nan 0.000 0.461 134 K N 0.068 120.503 120.400 0.058 0.000 2.097 134 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 134 K C 2.216 178.830 176.600 0.024 0.000 1.049 134 K CA 1.378 57.694 56.287 0.049 0.000 0.933 134 K CB -0.159 32.376 32.500 0.058 0.000 0.717 134 K HN 0.441 nan 8.250 nan 0.000 0.442 135 K N 0.036 120.449 120.400 0.021 0.000 2.167 135 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 135 K C 0.312 176.917 176.600 0.010 0.000 1.052 135 K CA 0.828 57.123 56.287 0.014 0.000 0.956 135 K CB 0.203 32.711 32.500 0.013 0.000 0.735 135 K HN -0.005 nan 8.250 nan 0.000 0.451 136 D N -0.255 120.149 120.400 0.006 0.000 2.405 136 D HA 0.173 4.813 4.640 -0.000 0.000 0.264 136 D C -2.342 173.952 176.300 -0.011 0.000 1.240 136 D CA -2.340 51.661 54.000 0.001 0.000 0.893 136 D CB 1.394 42.197 40.800 0.005 0.000 1.198 136 D HN -0.237 nan 8.370 nan 0.000 0.514 137 P HA -0.041 nan 4.420 nan 0.000 0.218 137 P C 1.426 178.724 177.300 -0.002 0.000 1.146 137 P CA 1.001 64.085 63.100 -0.027 0.000 0.813 137 P CB 0.312 32.002 31.700 -0.017 0.000 0.778 138 G N -0.765 108.040 108.800 0.008 0.000 2.535 138 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 138 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 138 G C 1.292 176.193 174.900 0.003 0.000 1.122 138 G CA 0.158 45.269 45.100 0.018 0.000 0.769 138 G HN 0.169 nan 8.290 nan 0.000 0.549 139 L N 0.296 121.513 121.223 -0.011 0.000 2.127 139 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 139 L C 2.534 179.377 176.870 -0.046 0.000 1.089 139 L CA 1.128 55.954 54.840 -0.023 0.000 0.757 139 L CB -0.333 41.716 42.059 -0.017 0.000 0.899 139 L HN 0.230 nan 8.230 nan 0.000 0.434 140 L N -0.674 120.525 121.223 -0.040 0.000 2.612 140 L HA -0.004 4.336 4.340 -0.000 0.000 0.230 140 L C 0.684 177.440 176.870 -0.191 0.000 1.140 140 L CA -0.029 54.760 54.840 -0.085 0.000 0.896 140 L CB -0.377 41.705 42.059 0.038 0.000 1.065 140 L HN 0.243 nan 8.230 nan 0.000 0.447 141 K N -0.299 120.045 120.400 -0.094 0.000 3.071 141 K HA -0.235 4.085 4.320 -0.000 0.000 0.262 141 K C -0.786 175.726 176.600 -0.147 0.000 0.977 141 K CA 0.649 56.870 56.287 -0.109 0.000 0.721 141 K CB -1.997 30.420 32.500 -0.138 0.000 1.293 141 K HN 0.219 nan 8.250 nan 0.000 0.475 142 Y N 0.619 120.894 120.300 -0.040 0.000 2.335 142 Y HA 0.158 4.708 4.550 -0.000 0.000 0.331 142 Y C -1.629 174.261 175.900 -0.018 0.000 1.094 142 Y CA -2.345 55.739 58.100 -0.026 0.000 1.253 142 Y CB 0.538 38.987 38.460 -0.019 0.000 1.203 142 Y HN -0.004 nan 8.280 nan 0.000 0.508 143 P HA 0.041 nan 4.420 nan 0.000 0.268 143 P C -0.857 176.487 177.300 0.073 0.000 1.485 143 P CA -0.002 63.137 63.100 0.064 0.000 1.102 143 P CB -0.195 31.528 31.700 0.038 0.000 1.501 144 V N 0.522 120.474 119.914 0.064 0.000 3.093 144 V HA 0.526 4.646 4.120 -0.000 0.000 0.320 144 V C 0.292 176.401 176.094 0.025 0.000 1.093 144 V CA -1.218 61.109 62.300 0.045 0.000 1.016 144 V CB 1.708 33.556 31.823 0.043 0.000 1.096 144 V HN 0.118 nan 8.190 nan 0.000 0.452 145 K N 1.813 122.222 120.400 0.015 0.000 2.168 145 K HA 0.319 4.638 4.320 -0.000 0.000 0.258 145 K C -1.865 174.740 176.600 0.008 0.000 1.010 145 K CA -1.193 55.099 56.287 0.008 0.000 0.929 145 K CB 0.645 33.145 32.500 0.001 0.000 0.998 145 K HN 0.441 nan 8.250 nan 0.000 0.479 146 P HA -0.227 nan 4.420 nan 0.000 0.216 146 P C 1.083 178.386 177.300 0.005 0.000 1.150 146 P CA 1.483 64.587 63.100 0.005 0.000 0.843 146 P CB 0.146 31.848 31.700 0.003 0.000 0.787 147 S N -1.063 114.639 115.700 0.003 0.000 2.481 147 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 147 S C 1.614 176.217 174.600 0.005 0.000 0.996 147 S CA 0.868 59.070 58.200 0.003 0.000 0.942 147 S CB -0.873 62.327 63.200 -0.000 0.000 0.768 147 S HN 0.284 nan 8.310 nan 0.000 0.520 148 E N 1.332 121.535 120.200 0.006 0.000 2.415 148 E HA 0.367 4.717 4.350 -0.000 0.000 0.197 148 E C 0.788 177.395 176.600 0.012 0.000 1.007 148 E CA 0.142 56.548 56.400 0.009 0.000 0.890 148 E CB 0.077 29.782 29.700 0.008 0.000 0.891 148 E HN 0.633 nan 8.360 nan 0.000 0.496 149 A N 0.880 123.708 122.820 0.012 0.000 2.561 149 A HA 0.307 4.627 4.320 -0.000 0.000 0.234 149 A C 1.391 178.982 177.584 0.012 0.000 1.055 149 A CA 0.908 52.953 52.037 0.014 0.000 0.756 149 A CB -0.385 18.622 19.000 0.012 0.000 0.986 149 A HN 0.376 nan 8.150 nan 0.000 0.505 150 G N 1.314 110.121 108.800 0.012 0.000 2.184 150 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 150 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 150 G C 0.199 175.105 174.900 0.009 0.000 0.975 150 G CA 0.914 46.020 45.100 0.010 0.000 0.642 150 G HN 0.889 nan 8.290 nan 0.000 0.536 151 K N 1.093 121.498 120.400 0.009 0.000 2.138 151 K HA 0.586 4.906 4.320 -0.000 0.000 0.263 151 K C 0.831 177.432 176.600 0.003 0.000 0.965 151 K CA 0.052 56.345 56.287 0.010 0.000 0.868 151 K CB 1.619 34.128 32.500 0.015 0.000 1.083 151 K HN 0.373 nan 8.250 nan 0.000 0.443 152 S N 0.982 116.685 115.700 0.006 0.000 2.608 152 S HA 0.186 4.655 4.470 -0.000 0.000 0.261 152 S C 1.310 175.911 174.600 0.000 0.000 1.314 152 S CA -0.158 58.041 58.200 -0.002 0.000 0.992 152 S CB 1.328 64.536 63.200 0.013 0.000 0.935 152 S HN 0.682 nan 8.310 nan 0.000 0.564 153 A N 1.637 124.447 122.820 -0.016 0.000 1.908 153 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 153 A C 2.235 179.856 177.584 0.061 0.000 1.181 153 A CA 1.836 53.870 52.037 -0.005 0.000 0.627 153 A CB -1.904 17.079 19.000 -0.029 0.000 0.818 153 A HN 1.182 nan 8.150 nan 0.000 0.445 154 G N -1.186 107.642 108.800 0.048 0.000 2.418 154 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 154 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 154 G C 1.638 176.600 174.900 0.104 0.000 1.158 154 G CA 1.049 46.184 45.100 0.059 0.000 0.771 154 G HN 0.621 nan 8.290 nan 0.000 0.545 155 Q N -0.432 119.410 119.800 0.070 0.000 2.050 155 Q HA 0.023 4.363 4.340 -0.000 0.000 0.202 155 Q C 2.728 178.782 176.000 0.091 0.000 0.980 155 Q CA 0.963 56.808 55.803 0.070 0.000 0.840 155 Q CB -0.242 28.521 28.738 0.042 0.000 0.898 155 Q HN 0.466 nan 8.270 nan 0.000 0.424 156 L N -0.668 120.605 121.223 0.083 0.000 2.042 156 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 156 L C 2.336 179.277 176.870 0.118 0.000 1.076 156 L CA 1.431 56.317 54.840 0.076 0.000 0.749 156 L CB -0.578 41.512 42.059 0.053 0.000 0.893 156 L HN 0.313 nan 8.230 nan 0.000 0.432 157 Y N 0.780 121.116 120.300 0.060 0.000 2.133 157 Y HA -0.302 4.248 4.550 -0.000 0.000 0.287 157 Y C 2.749 178.720 175.900 0.119 0.000 1.134 157 Y CA 2.067 60.229 58.100 0.103 0.000 1.133 157 Y CB -0.075 38.445 38.460 0.100 0.000 0.987 157 Y HN 0.171 nan 8.280 nan 0.000 0.502 158 E N 0.150 120.540 120.200 0.317 0.000 2.058 158 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 158 E C 1.993 178.660 176.600 0.111 0.000 0.997 158 E CA 1.805 58.347 56.400 0.237 0.000 0.801 158 E CB -0.185 29.639 29.700 0.205 0.000 0.746 158 E HN 0.650 nan 8.360 nan 0.000 0.450 159 E N -0.036 120.213 120.200 0.082 0.000 2.153 159 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 159 E C 2.124 178.736 176.600 0.020 0.000 0.988 159 E CA 1.207 57.635 56.400 0.047 0.000 0.811 159 E CB -0.052 29.670 29.700 0.037 0.000 0.746 159 E HN 0.304 nan 8.360 nan 0.000 0.466 160 S N 0.378 116.074 115.700 -0.006 0.000 2.474 160 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 160 S C 1.692 176.335 174.600 0.071 0.000 0.997 160 S CA 0.455 58.642 58.200 -0.022 0.000 0.949 160 S CB -0.038 63.120 63.200 -0.070 0.000 0.766 160 S HN 0.074 nan 8.310 nan 0.000 0.517 161 L N 2.148 123.396 121.223 0.042 0.000 2.610 161 L HA 0.294 4.634 4.340 -0.000 0.000 0.232 161 L C 2.440 179.343 176.870 0.054 0.000 1.149 161 L CA 0.539 55.411 54.840 0.054 0.000 0.872 161 L CB -1.498 40.571 42.059 0.016 0.000 0.992 161 L HN 0.461 nan 8.230 nan 0.000 0.447 162 G N -0.133 108.696 108.800 0.049 0.000 2.529 162 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.219 162 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.219 162 G C 1.775 176.700 174.900 0.042 0.000 1.177 162 G CA 1.203 46.324 45.100 0.035 0.000 0.773 162 G HN 0.323 nan 8.290 nan 0.000 0.573 163 K N 0.290 120.726 120.400 0.061 0.000 2.063 163 K HA -0.049 4.271 4.320 -0.000 0.000 0.208 163 K C 2.540 179.195 176.600 0.091 0.000 1.048 163 K CA 1.598 57.934 56.287 0.083 0.000 0.928 163 K CB -0.739 31.810 32.500 0.082 0.000 0.713 163 K HN 0.213 nan 8.250 nan 0.000 0.442 164 V N -0.018 119.895 119.914 -0.003 0.000 2.358 164 V HA -0.205 3.914 4.120 -0.000 0.000 0.246 164 V C 2.310 178.391 176.094 -0.021 0.000 1.047 164 V CA 1.700 63.908 62.300 -0.153 0.000 1.035 164 V CB -0.383 31.182 31.823 -0.429 0.000 0.658 164 V HN 0.149 nan 8.190 nan 0.000 0.452 165 V N 0.085 119.989 119.914 -0.016 0.000 2.343 165 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 165 V C 2.518 178.624 176.094 0.020 0.000 1.051 165 V CA 2.313 64.611 62.300 -0.004 0.000 1.036 165 V CB -0.588 31.235 31.823 0.001 0.000 0.654 165 V HN 0.673 nan 8.190 nan 0.000 0.451 166 E N -0.068 120.155 120.200 0.038 0.000 2.051 166 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 166 E C 2.235 178.876 176.600 0.068 0.000 0.991 166 E CA 1.239 57.667 56.400 0.046 0.000 0.799 166 E CB -0.019 29.711 29.700 0.050 0.000 0.748 166 E HN 0.567 nan 8.360 nan 0.000 0.449 167 E N 0.752 121.023 120.200 0.118 0.000 2.077 167 E HA -0.192 4.157 4.350 -0.000 0.000 0.193 167 E C 2.216 178.900 176.600 0.141 0.000 0.989 167 E CA 0.600 57.106 56.400 0.178 0.000 0.800 167 E CB -0.366 29.535 29.700 0.334 0.000 0.746 167 E HN 0.252 nan 8.360 nan 0.000 0.452 168 L N 1.808 123.093 121.223 0.103 0.000 2.012 168 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 168 L C 1.973 178.854 176.870 0.018 0.000 1.073 168 L CA 1.941 56.813 54.840 0.054 0.000 0.748 168 L CB -0.361 41.696 42.059 -0.003 0.000 0.891 168 L HN -0.069 nan 8.230 nan 0.000 0.431 169 K N -0.898 119.508 120.400 0.009 0.000 2.147 169 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 169 K C 2.298 178.892 176.600 -0.011 0.000 1.049 169 K CA 1.461 57.745 56.287 -0.006 0.000 0.936 169 K CB -0.200 32.299 32.500 -0.003 0.000 0.722 169 K HN 0.293 nan 8.250 nan 0.000 0.446 170 R N 0.402 120.900 120.500 -0.004 0.000 2.193 170 R HA -0.064 4.276 4.340 -0.000 0.000 0.213 170 R C 1.579 177.835 176.300 -0.074 0.000 1.055 170 R CA 1.537 57.620 56.100 -0.028 0.000 0.995 170 R CB 0.256 30.549 30.300 -0.011 0.000 0.893 170 R HN 0.374 nan 8.270 nan 0.000 0.459 171 T N -2.835 111.681 114.554 -0.062 0.000 1.832 171 T HA 0.275 4.625 4.350 -0.000 0.000 0.171 171 T C -0.590 174.087 174.700 -0.038 0.000 0.718 171 T CA -0.341 61.688 62.100 -0.117 0.000 0.980 171 T CB 0.231 68.942 68.868 -0.262 0.000 3.173 171 T HN 0.273 nan 8.240 nan 0.000 0.399 172 N N -1.714 117.004 118.700 0.028 0.000 3.116 172 N HA 0.394 5.134 4.740 -0.000 0.000 0.244 172 N C 0.371 175.909 175.510 0.047 0.000 1.485 172 N CA -0.404 52.661 53.050 0.024 0.000 0.884 172 N CB 0.519 39.013 38.487 0.012 0.000 1.415 172 N HN 0.467 nan 8.380 nan 0.000 0.524 173 c N -0.212 118.376 118.600 -0.021 0.000 2.413 173 c HA -0.139 4.431 4.570 -0.000 0.000 0.276 173 c C 2.877 176.944 174.090 -0.039 0.000 1.236 173 c CA 1.837 58.120 56.329 -0.077 0.000 1.735 173 c CB -1.543 40.879 42.510 -0.147 0.000 2.031 173 c HN 0.893 nan 8.230 nan 0.000 0.474 174 S N -0.162 115.537 115.700 -0.001 0.000 2.383 174 S HA -0.281 4.189 4.470 -0.000 0.000 0.229 174 S C 1.756 176.385 174.600 0.048 0.000 1.030 174 S CA 1.882 60.092 58.200 0.017 0.000 1.002 174 S CB -0.972 62.250 63.200 0.037 0.000 0.829 174 S HN 0.698 nan 8.310 nan 0.000 0.467 175 Y N 3.397 123.685 120.300 -0.020 0.000 2.163 175 Y HA -0.025 4.524 4.550 -0.000 0.000 0.288 175 Y C 2.135 178.032 175.900 -0.005 0.000 1.136 175 Y CA 1.662 59.756 58.100 -0.011 0.000 1.147 175 Y CB -0.438 38.018 38.460 -0.006 0.000 0.987 175 Y HN 0.445 nan 8.280 nan 0.000 0.509 176 I N -2.227 118.378 120.570 0.059 0.000 2.439 176 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 176 I C 1.944 178.086 176.117 0.042 0.000 1.139 176 I CA 1.293 62.639 61.300 0.076 0.000 1.438 176 I CB -0.690 37.443 38.000 0.222 0.000 1.085 176 I HN 0.167 nan 8.210 nan 0.000 0.427 177 L N 1.094 122.296 121.223 -0.036 0.000 2.083 177 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 177 L C 2.322 179.152 176.870 -0.067 0.000 1.083 177 L CA 1.666 56.468 54.840 -0.064 0.000 0.752 177 L CB -0.811 41.182 42.059 -0.110 0.000 0.899 177 L HN 0.330 nan 8.230 nan 0.000 0.433 178 N N -0.021 118.615 118.700 -0.107 0.000 2.171 178 N HA -0.178 4.562 4.740 -0.000 0.000 0.184 178 N C 1.766 177.146 175.510 -0.217 0.000 1.021 178 N CA 1.023 53.998 53.050 -0.124 0.000 0.854 178 N CB 0.014 38.427 38.487 -0.124 0.000 0.994 178 N HN 0.163 nan 8.380 nan 0.000 0.426 179 K N -0.462 119.712 120.400 -0.378 0.000 2.002 179 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 179 K C 1.098 177.469 176.600 -0.381 0.000 1.048 179 K CA 1.313 57.303 56.287 -0.495 0.000 0.930 179 K CB -0.229 31.785 32.500 -0.808 0.000 0.714 179 K HN 0.289 nan 8.250 nan 0.000 0.438 180 Y N 0.377 120.693 120.300 0.026 0.000 2.578 180 Y HA -0.053 4.497 4.550 -0.000 0.000 0.297 180 Y C 1.471 177.485 175.900 0.191 0.000 1.176 180 Y CA 0.618 58.813 58.100 0.158 0.000 1.315 180 Y CB 0.086 38.606 38.460 0.100 0.000 1.031 180 Y HN 0.301 nan 8.280 nan 0.000 0.524 181 D N -0.470 119.996 120.400 0.110 0.000 2.347 181 D HA -0.106 4.534 4.640 -0.000 0.000 0.213 181 D C 1.952 178.185 176.300 -0.112 0.000 0.985 181 D CA 1.305 55.366 54.000 0.103 0.000 0.879 181 D CB 0.016 40.876 40.800 0.101 0.000 0.919 181 D HN 0.264 nan 8.370 nan 0.000 0.526 182 T N -2.827 111.569 114.554 -0.264 0.000 3.129 182 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 182 T C 0.235 174.793 174.700 -0.236 0.000 1.117 182 T CA -0.110 61.573 62.100 -0.694 0.000 1.034 182 T CB -0.379 68.098 68.868 -0.651 0.000 0.968 182 T HN -0.060 nan 8.240 nan 0.000 0.526 183 Y N 2.130 122.429 120.300 -0.001 0.000 2.487 183 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 183 Y C 0.756 176.782 175.900 0.209 0.000 1.076 183 Y CA -1.297 56.881 58.100 0.131 0.000 1.115 183 Y CB 1.854 40.447 38.460 0.223 0.000 1.235 183 Y HN 0.186 nan 8.280 nan 0.000 0.468 184 S N -0.897 115.014 115.700 0.352 0.000 2.672 184 S HA 0.253 4.723 4.470 -0.000 0.000 0.276 184 S C 0.741 175.533 174.600 0.321 0.000 1.207 184 S CA -0.411 57.987 58.200 0.330 0.000 1.002 184 S CB 1.425 64.789 63.200 0.273 0.000 0.998 184 S HN 0.700 nan 8.310 nan 0.000 0.542 185 T N 1.451 116.229 114.554 0.372 0.000 2.652 185 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 185 T C 1.713 176.478 174.700 0.108 0.000 1.039 185 T CA 1.902 64.224 62.100 0.370 0.000 1.153 185 T CB -0.487 68.735 68.868 0.589 0.000 0.863 185 T HN 0.773 nan 8.240 nan 0.000 0.428 186 K N 0.915 121.317 120.400 0.003 0.000 2.063 186 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 186 K C 2.384 178.878 176.600 -0.177 0.000 1.048 186 K CA 1.654 57.707 56.287 -0.390 0.000 0.928 186 K CB -0.113 32.069 32.500 -0.529 0.000 0.713 186 K HN 0.450 nan 8.250 nan 0.000 0.442 187 E N -0.525 119.665 120.200 -0.017 0.000 2.085 187 E HA -0.264 4.086 4.350 -0.000 0.000 0.194 187 E C 1.927 178.550 176.600 0.039 0.000 0.994 187 E CA 1.385 57.814 56.400 0.049 0.000 0.801 187 E CB -0.273 29.520 29.700 0.154 0.000 0.743 187 E HN 0.464 nan 8.360 nan 0.000 0.453 188 Y N 1.222 121.440 120.300 -0.137 0.000 2.114 188 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 188 Y C 2.023 177.683 175.900 -0.401 0.000 1.143 188 Y CA 1.849 59.688 58.100 -0.434 0.000 1.135 188 Y CB -0.371 37.379 38.460 -1.185 0.000 0.980 188 Y HN 0.020 nan 8.280 nan 0.000 0.499 189 L N -0.266 120.737 121.223 -0.367 0.000 2.043 189 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 189 L C 2.411 179.092 176.870 -0.315 0.000 1.075 189 L CA 1.812 56.462 54.840 -0.316 0.000 0.752 189 L CB -0.594 41.377 42.059 -0.146 0.000 0.891 189 L HN 0.341 nan 8.230 nan 0.000 0.432 190 I N -0.750 119.671 120.570 -0.248 0.000 2.296 190 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 190 I C 2.514 178.524 176.117 -0.178 0.000 1.087 190 I CA 1.125 62.318 61.300 -0.178 0.000 1.393 190 I CB -0.188 37.736 38.000 -0.126 0.000 1.093 190 I HN 0.137 nan 8.210 nan 0.000 0.421 191 K N 0.320 120.622 120.400 -0.164 0.000 2.062 191 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 191 K C 1.889 178.373 176.600 -0.195 0.000 1.051 191 K CA 1.060 57.281 56.287 -0.110 0.000 0.941 191 K CB 0.093 32.611 32.500 0.029 0.000 0.719 191 K HN 0.224 nan 8.250 nan 0.000 0.440 192 E N -0.733 119.202 120.200 -0.442 0.000 2.244 192 E HA 0.028 4.378 4.350 -0.000 0.000 0.196 192 E C 2.041 178.307 176.600 -0.556 0.000 0.939 192 E CA 0.610 56.684 56.400 -0.543 0.000 0.884 192 E CB 0.027 29.218 29.700 -0.848 0.000 0.850 192 E HN 0.335 nan 8.360 nan 0.000 0.481 193 G N 1.164 109.539 108.800 -0.708 0.000 2.572 193 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 193 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 193 G C -0.103 174.661 174.900 -0.226 0.000 1.133 193 G CA 0.531 45.387 45.100 -0.407 0.000 0.791 193 G HN 0.120 nan 8.290 nan 0.000 0.538 194 D N -0.987 119.285 120.400 -0.215 0.000 2.911 194 D HA -0.145 4.495 4.640 -0.000 0.000 0.227 194 D C 0.520 176.762 176.300 -0.097 0.000 1.164 194 D CA 0.404 54.327 54.000 -0.129 0.000 0.782 194 D CB -1.412 39.331 40.800 -0.095 0.000 1.094 194 D HN 0.331 nan 8.370 nan 0.000 0.425 195 L N 0.338 121.497 121.223 -0.108 0.000 2.467 195 L HA 0.191 4.531 4.340 -0.000 0.000 0.270 195 L C 1.370 178.210 176.870 -0.050 0.000 1.205 195 L CA -0.150 54.650 54.840 -0.066 0.000 0.828 195 L CB 0.582 42.605 42.059 -0.060 0.000 1.101 195 L HN 0.145 nan 8.230 nan 0.000 0.479 196 S N 1.556 117.241 115.700 -0.025 0.000 2.593 196 S HA 0.200 4.670 4.470 -0.000 0.000 0.269 196 S C -1.892 172.707 174.600 -0.002 0.000 1.334 196 S CA -1.122 57.071 58.200 -0.011 0.000 1.015 196 S CB 1.044 64.247 63.200 0.005 0.000 0.912 196 S HN 0.412 nan 8.310 nan 0.000 0.541 197 P HA 0.011 nan 4.420 nan 0.000 0.218 197 P C 1.657 178.992 177.300 0.059 0.000 1.148 197 P CA 1.542 64.654 63.100 0.020 0.000 0.822 197 P CB -0.408 31.304 31.700 0.021 0.000 0.784 198 G N -0.003 108.839 108.800 0.071 0.000 2.402 198 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 198 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 198 G C 1.633 176.588 174.900 0.093 0.000 1.162 198 G CA 0.834 46.014 45.100 0.133 0.000 0.777 198 G HN 0.306 nan 8.290 nan 0.000 0.539 199 A N 0.158 122.999 122.820 0.034 0.000 1.930 199 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 199 A C 2.578 180.164 177.584 0.003 0.000 1.175 199 A CA 1.728 53.759 52.037 -0.009 0.000 0.627 199 A CB -0.560 18.440 19.000 0.000 0.000 0.815 199 A HN 0.244 nan 8.150 nan 0.000 0.443 200 V N 0.536 120.472 119.914 0.036 0.000 2.427 200 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 200 V C 2.125 178.328 176.094 0.181 0.000 1.051 200 V CA 2.250 64.602 62.300 0.086 0.000 1.048 200 V CB -0.771 31.040 31.823 -0.020 0.000 0.666 200 V HN 0.472 nan 8.190 nan 0.000 0.456 201 D N -0.635 119.848 120.400 0.138 0.000 2.144 201 D HA -0.177 4.462 4.640 -0.000 0.000 0.199 201 D C 2.050 178.365 176.300 0.025 0.000 0.984 201 D CA 1.340 55.455 54.000 0.192 0.000 0.834 201 D CB -0.207 40.766 40.800 0.289 0.000 0.955 201 D HN 0.349 nan 8.370 nan 0.000 0.465 202 M N -0.016 119.373 119.600 -0.352 0.000 2.099 202 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 202 M C 2.032 178.161 176.300 -0.285 0.000 1.067 202 M CA 1.204 55.986 55.300 -0.863 0.000 1.124 202 M CB 0.011 32.024 32.600 -0.978 0.000 1.353 202 M HN -0.054 nan 8.290 nan 0.000 0.410 203 I N -0.183 120.346 120.570 -0.068 0.000 2.226 203 I HA -0.212 3.957 4.170 -0.000 0.000 0.245 203 I C 2.503 178.646 176.117 0.044 0.000 1.100 203 I CA 1.426 62.765 61.300 0.066 0.000 1.374 203 I CB -0.959 37.186 38.000 0.242 0.000 1.057 203 I HN 0.447 nan 8.210 nan 0.000 0.413 204 G N 0.438 109.288 108.800 0.082 0.000 2.421 204 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 204 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 204 G C 1.236 176.105 174.900 -0.053 0.000 1.171 204 G CA 1.012 46.025 45.100 -0.145 0.000 0.775 204 G HN 0.277 nan 8.290 nan 0.000 0.543 205 D N 0.506 120.926 120.400 0.034 0.000 2.084 205 D HA -0.047 4.592 4.640 -0.000 0.000 0.196 205 D C 2.659 179.032 176.300 0.123 0.000 0.985 205 D CA 0.700 54.747 54.000 0.078 0.000 0.826 205 D CB -0.325 40.573 40.800 0.163 0.000 0.978 205 D HN 0.326 nan 8.370 nan 0.000 0.456 206 L N -0.253 121.035 121.223 0.109 0.000 2.270 206 L HA 0.096 4.436 4.340 -0.000 0.000 0.210 206 L C 1.818 178.813 176.870 0.209 0.000 1.104 206 L CA 0.406 55.372 54.840 0.210 0.000 0.804 206 L CB -0.047 42.103 42.059 0.151 0.000 0.937 206 L HN -0.033 nan 8.230 nan 0.000 0.450 207 L N -0.427 120.840 121.223 0.073 0.000 2.700 207 L HA 0.154 4.494 4.340 -0.000 0.000 0.234 207 L C 0.394 177.180 176.870 -0.140 0.000 1.156 207 L CA 0.011 54.825 54.840 -0.044 0.000 0.946 207 L CB -0.424 41.570 42.059 -0.107 0.000 1.216 207 L HN 0.417 nan 8.230 nan 0.000 0.493 208 N N 0.875 119.572 118.700 -0.004 0.000 2.754 208 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 208 N C 0.838 176.212 175.510 -0.227 0.000 1.093 208 N CA 0.236 53.232 53.050 -0.091 0.000 0.699 208 N CB -0.014 38.196 38.487 -0.463 0.000 1.016 208 N HN 0.342 nan 8.380 nan 0.000 0.552 209 E N -0.173 119.864 120.200 -0.272 0.000 2.415 209 E HA -0.041 4.309 4.350 -0.000 0.000 0.197 209 E C 1.092 177.228 176.600 -0.774 0.000 1.007 209 E CA 0.239 56.372 56.400 -0.444 0.000 0.890 209 E CB 0.001 29.471 29.700 -0.383 0.000 0.891 209 E HN 0.507 nan 8.360 nan 0.000 0.496 210 D N 0.975 121.016 120.400 -0.599 0.000 2.126 210 D HA -0.150 4.490 4.640 -0.000 0.000 0.190 210 D C 1.636 177.805 176.300 -0.219 0.000 1.001 210 D CA 1.779 55.507 54.000 -0.453 0.000 0.841 210 D CB 0.161 40.890 40.800 -0.118 0.000 0.949 210 D HN -0.092 nan 8.370 nan 0.000 0.446 211 S N -1.329 114.287 115.700 -0.139 0.000 2.515 211 S HA 0.071 4.541 4.470 -0.000 0.000 0.231 211 S C 1.522 176.013 174.600 -0.182 0.000 0.987 211 S CA 0.774 58.941 58.200 -0.054 0.000 0.936 211 S CB 0.429 63.620 63.200 -0.014 0.000 0.766 211 S HN 0.432 nan 8.310 nan 0.000 0.528 212 G N -1.061 107.585 108.800 -0.257 0.000 3.651 212 G HA2 0.158 4.118 3.960 -0.000 0.000 0.279 212 G HA3 0.158 4.118 3.960 -0.000 0.000 0.279 212 G C 0.424 175.233 174.900 -0.153 0.000 1.024 212 G CA -0.256 44.668 45.100 -0.293 0.000 0.813 212 G HN 0.332 nan 8.290 nan 0.000 0.518 213 Y N 0.819 121.049 120.300 -0.116 0.000 2.497 213 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 213 Y C 2.067 178.030 175.900 0.104 0.000 1.137 213 Y CA -0.033 58.092 58.100 0.041 0.000 1.285 213 Y CB -0.153 38.373 38.460 0.110 0.000 0.991 213 Y HN 0.616 nan 8.280 nan 0.000 0.556 214 Y N -1.841 118.634 120.300 0.291 0.000 2.458 214 Y HA 0.404 4.954 4.550 -0.000 0.000 0.256 214 Y C 0.711 176.731 175.900 0.200 0.000 1.159 214 Y CA -1.090 57.134 58.100 0.207 0.000 1.261 214 Y CB -1.204 37.343 38.460 0.146 0.000 1.119 214 Y HN -0.168 nan 8.280 nan 0.000 0.524 215 V N -1.066 118.902 119.914 0.089 0.000 3.295 215 V HA 0.396 4.516 4.120 -0.000 0.000 0.308 215 V C 0.772 177.055 176.094 0.314 0.000 1.068 215 V CA -0.846 61.580 62.300 0.209 0.000 1.062 215 V CB 1.122 33.028 31.823 0.140 0.000 1.162 215 V HN 0.279 nan 8.190 nan 0.000 0.456 216 S N 0.575 116.499 115.700 0.374 0.000 2.563 216 S HA 0.022 4.492 4.470 -0.000 0.000 0.294 216 S C 0.520 175.385 174.600 0.441 0.000 1.279 216 S CA -0.063 58.396 58.200 0.432 0.000 1.069 216 S CB -0.552 62.991 63.200 0.572 0.000 0.828 216 S HN 0.874 nan 8.310 nan 0.000 0.497 217 F N 6.150 126.253 119.950 0.254 0.000 2.307 217 F HA -0.064 4.463 4.527 -0.000 0.000 0.301 217 F C 1.540 177.408 175.800 0.113 0.000 1.076 217 F CA 0.996 59.103 58.000 0.179 0.000 1.383 217 F CB -0.302 38.781 39.000 0.138 0.000 1.055 217 F HN 0.651 nan 8.300 nan 0.000 0.526 218 I N 0.257 120.861 120.570 0.056 0.000 2.286 218 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 218 I C 2.288 178.305 176.117 -0.168 0.000 1.115 218 I CA 1.120 62.300 61.300 -0.201 0.000 1.392 218 I CB -1.274 36.463 38.000 -0.437 0.000 1.065 218 I HN 0.158 nan 8.210 nan 0.000 0.418 219 E N 0.264 120.557 120.200 0.156 0.000 2.077 219 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 219 E C 2.331 179.021 176.600 0.151 0.000 0.989 219 E CA 1.386 57.932 56.400 0.243 0.000 0.800 219 E CB -0.260 29.668 29.700 0.380 0.000 0.746 219 E HN 0.353 nan 8.360 nan 0.000 0.452 220 S N 0.430 116.183 115.700 0.088 0.000 2.356 220 S HA -0.090 4.380 4.470 -0.000 0.000 0.223 220 S C 2.143 176.675 174.600 -0.113 0.000 1.032 220 S CA 0.729 58.974 58.200 0.076 0.000 1.005 220 S CB -0.159 63.217 63.200 0.294 0.000 0.867 220 S HN 0.147 nan 8.310 nan 0.000 0.449 221 L N 0.783 121.745 121.223 -0.435 0.000 2.017 221 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 221 L C 2.715 179.099 176.870 -0.810 0.000 1.073 221 L CA 1.492 55.993 54.840 -0.564 0.000 0.745 221 L CB -0.486 41.193 42.059 -0.633 0.000 0.894 221 L HN 0.279 nan 8.230 nan 0.000 0.432 222 K N -1.001 118.862 120.400 -0.895 0.000 2.057 222 K HA -0.160 4.159 4.320 -0.000 0.000 0.207 222 K C 2.120 178.396 176.600 -0.539 0.000 1.049 222 K CA 1.108 56.819 56.287 -0.960 0.000 0.931 222 K CB -0.186 31.917 32.500 -0.661 0.000 0.714 222 K HN 0.389 nan 8.250 nan 0.000 0.440 223 H N 0.073 119.051 119.070 -0.155 0.000 2.462 223 H HA -0.084 4.472 4.556 -0.000 0.000 0.292 223 H C 1.661 177.010 175.328 0.035 0.000 1.049 223 H CA 1.404 57.485 56.048 0.054 0.000 1.334 223 H CB 0.036 29.803 29.762 0.008 0.000 1.404 223 H HN 0.360 nan 8.280 nan 0.000 0.544 224 D N 0.771 121.167 120.400 -0.007 0.000 2.144 224 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 224 D C 1.880 178.280 176.300 0.166 0.000 0.978 224 D CA 1.104 55.120 54.000 0.027 0.000 0.833 224 D CB -0.038 40.796 40.800 0.057 0.000 0.961 224 D HN 0.193 nan 8.370 nan 0.000 0.470 225 D N -0.776 119.614 120.400 -0.018 0.000 2.182 225 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 225 D C 1.891 178.244 176.300 0.088 0.000 0.986 225 D CA 1.188 55.185 54.000 -0.005 0.000 0.847 225 D CB -0.037 40.599 40.800 -0.273 0.000 0.942 225 D HN 0.398 nan 8.370 nan 0.000 0.467 226 I N -1.194 119.404 120.570 0.046 0.000 2.364 226 I HA -0.086 4.084 4.170 -0.000 0.000 0.241 226 I C 1.599 177.788 176.117 0.120 0.000 1.082 226 I CA 0.252 61.529 61.300 -0.039 0.000 1.401 226 I CB -0.225 37.634 38.000 -0.235 0.000 1.126 226 I HN -0.046 nan 8.210 nan 0.000 0.429 227 F N 1.193 121.222 119.950 0.131 0.000 2.234 227 F HA -0.097 4.430 4.527 -0.000 0.000 0.299 227 F C 2.496 178.308 175.800 0.020 0.000 1.087 227 F CA 1.269 59.351 58.000 0.137 0.000 1.340 227 F CB -0.614 38.421 39.000 0.059 0.000 1.031 227 F HN 0.002 nan 8.300 nan 0.000 0.500 228 A N -2.045 120.835 122.820 0.101 0.000 2.072 228 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 228 A C 1.159 178.391 177.584 -0.586 0.000 1.156 228 A CA 0.909 52.788 52.037 -0.264 0.000 0.701 228 A CB -0.677 18.083 19.000 -0.400 0.000 0.816 228 A HN 0.451 nan 8.150 nan 0.000 0.458 229 Y N -1.160 119.161 120.300 0.034 0.000 2.426 229 Y HA 0.299 4.849 4.550 -0.000 0.000 0.249 229 Y C 0.533 176.405 175.900 -0.047 0.000 1.103 229 Y CA -0.515 57.583 58.100 -0.004 0.000 1.256 229 Y CB 0.434 38.882 38.460 -0.020 0.000 1.208 229 Y HN 0.234 nan 8.280 nan 0.000 0.519 230 E N 1.630 121.846 120.200 0.027 0.000 2.194 230 E HA 0.196 4.546 4.350 -0.000 0.000 0.284 230 E C 0.299 176.897 176.600 -0.003 0.000 1.035 230 E CA 0.063 56.391 56.400 -0.119 0.000 0.836 230 E CB 0.802 30.232 29.700 -0.452 0.000 1.070 230 E HN 0.177 nan 8.360 nan 0.000 0.401 231 K N 2.981 123.363 120.400 -0.030 0.000 2.379 231 K HA 0.117 4.437 4.320 -0.000 0.000 0.194 231 K C 0.242 176.882 176.600 0.068 0.000 1.031 231 K CA 0.069 56.379 56.287 0.038 0.000 1.037 231 K CB 0.394 32.903 32.500 0.015 0.000 0.824 231 K HN 0.131 nan 8.250 nan 0.000 0.516 232 R N 0.509 120.988 120.500 -0.034 0.000 2.532 232 R HA 0.341 4.681 4.340 -0.000 0.000 0.297 232 R C -1.776 174.437 176.300 -0.146 0.000 0.984 232 R CA -0.450 55.651 56.100 0.002 0.000 0.884 232 R CB 0.456 30.735 30.300 -0.035 0.000 1.182 232 R HN -0.230 nan 8.270 nan 0.000 0.442 233 F N 1.603 121.554 119.950 0.002 0.000 2.577 233 F HA 0.562 5.089 4.527 -0.000 0.000 0.318 233 F C -0.102 175.761 175.800 0.105 0.000 1.065 233 F CA -0.414 57.591 58.000 0.009 0.000 0.929 233 F CB 2.415 41.428 39.000 0.022 0.000 1.237 233 F HN 0.375 nan 8.300 nan 0.000 0.468 234 D N 0.524 121.080 120.400 0.260 0.000 2.645 234 D HA 0.280 4.920 4.640 -0.000 0.000 0.228 234 D C -1.244 175.196 176.300 0.233 0.000 1.148 234 D CA -0.509 53.634 54.000 0.239 0.000 0.860 234 D CB 2.881 43.764 40.800 0.138 0.000 1.548 234 D HN 0.672 nan 8.370 nan 0.000 0.460 235 E N 0.332 120.690 120.200 0.264 0.000 2.263 235 E HA 0.577 4.927 4.350 -0.000 0.000 0.264 235 E C -0.554 176.145 176.600 0.164 0.000 0.923 235 E CA -0.823 55.717 56.400 0.234 0.000 0.802 235 E CB 1.901 31.822 29.700 0.367 0.000 1.228 235 E HN 0.291 nan 8.360 nan 0.000 0.417 236 I N 2.230 122.869 120.570 0.115 0.000 2.371 236 I HA 0.074 4.244 4.170 -0.000 0.000 0.290 236 I C -0.010 176.130 176.117 0.039 0.000 1.028 236 I CA -0.956 60.386 61.300 0.070 0.000 1.345 236 I CB 1.315 39.339 38.000 0.041 0.000 1.407 236 I HN 0.387 nan 8.210 nan 0.000 0.501 237 V N 6.901 126.843 119.914 0.047 0.000 2.617 237 V HA -0.089 4.031 4.120 -0.000 0.000 0.304 237 V C 0.645 176.724 176.094 -0.025 0.000 1.040 237 V CA 0.709 63.032 62.300 0.038 0.000 1.149 237 V CB 0.169 32.028 31.823 0.060 0.000 0.914 237 V HN 0.932 nan 8.190 nan 0.000 0.487 238 D N 2.137 122.516 120.400 -0.036 0.000 3.077 238 D HA -0.132 4.508 4.640 -0.000 0.000 0.212 238 D C 0.450 176.344 176.300 -0.677 0.000 1.125 238 D CA 1.685 55.587 54.000 -0.162 0.000 0.970 238 D CB -1.316 39.458 40.800 -0.044 0.000 1.110 238 D HN 1.608 nan 8.370 nan 0.000 0.419 239 G N -0.682 107.663 108.800 -0.758 0.000 2.841 239 G HA2 0.005 3.965 3.960 -0.000 0.000 0.684 239 G HA3 0.005 3.965 3.960 -0.000 0.000 0.684 239 G C 0.664 175.416 174.900 -0.246 0.000 1.273 239 G CA -0.020 44.649 45.100 -0.718 0.000 0.811 239 G HN -0.055 nan 8.290 nan 0.000 0.631 240 M N 1.404 120.938 119.600 -0.111 0.000 2.279 240 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 240 M C 2.236 178.515 176.300 -0.035 0.000 1.062 240 M CA 2.139 57.425 55.300 -0.024 0.000 1.099 240 M CB -0.933 31.683 32.600 0.027 0.000 1.394 240 M HN 0.833 nan 8.290 nan 0.000 0.426 241 D N -0.273 120.092 120.400 -0.060 0.000 2.378 241 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 241 D C 1.434 177.693 176.300 -0.068 0.000 1.012 241 D CA 0.649 54.618 54.000 -0.052 0.000 0.905 241 D CB -0.327 40.443 40.800 -0.050 0.000 0.895 241 D HN 0.132 nan 8.370 nan 0.000 0.532 242 K N 0.016 120.367 120.400 -0.081 0.000 2.147 242 K HA -0.076 4.243 4.320 -0.000 0.000 0.205 242 K C 1.937 178.495 176.600 -0.070 0.000 1.049 242 K CA 0.338 56.581 56.287 -0.073 0.000 0.936 242 K CB -0.421 32.041 32.500 -0.064 0.000 0.722 242 K HN 0.275 nan 8.250 nan 0.000 0.446 243 L N 2.211 123.409 121.223 -0.041 0.000 1.988 243 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 243 L C -1.089 175.702 176.870 -0.132 0.000 1.071 243 L CA 1.866 56.685 54.840 -0.035 0.000 0.744 243 L CB -1.415 40.667 42.059 0.038 0.000 0.893 243 L HN 0.032 nan 8.230 nan 0.000 0.433 244 P HA -0.122 nan 4.420 nan 0.000 0.218 244 P C 1.458 178.723 177.300 -0.057 0.000 1.149 244 P CA 1.737 64.789 63.100 -0.080 0.000 0.817 244 P CB -0.223 31.454 31.700 -0.038 0.000 0.785 245 T N 0.307 114.832 114.554 -0.048 0.000 2.746 245 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 245 T C 2.092 176.759 174.700 -0.055 0.000 1.039 245 T CA 1.783 63.904 62.100 0.034 0.000 1.142 245 T CB -0.789 68.078 68.868 -0.001 0.000 0.866 245 T HN 0.092 nan 8.240 nan 0.000 0.444 246 A N 1.146 123.806 122.820 -0.266 0.000 1.902 246 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 246 A C 2.315 179.419 177.584 -0.800 0.000 1.181 246 A CA 1.670 53.392 52.037 -0.525 0.000 0.623 246 A CB -0.696 17.888 19.000 -0.692 0.000 0.818 246 A HN 0.486 nan 8.150 nan 0.000 0.443 247 M N -1.772 117.310 119.600 -0.864 0.000 2.117 247 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 247 M C 2.157 178.396 176.300 -0.102 0.000 1.065 247 M CA 2.217 57.169 55.300 -0.579 0.000 1.114 247 M CB -0.324 32.055 32.600 -0.368 0.000 1.361 247 M HN 0.616 nan 8.290 nan 0.000 0.408 248 Y N 1.056 121.273 120.300 -0.138 0.000 2.128 248 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 248 Y C 2.155 178.060 175.900 0.009 0.000 1.154 248 Y CA 1.736 59.826 58.100 -0.017 0.000 1.149 248 Y CB -0.598 37.885 38.460 0.039 0.000 0.976 248 Y HN 0.152 nan 8.280 nan 0.000 0.505 249 R N 0.288 120.493 120.500 -0.491 0.000 2.139 249 R HA -0.193 4.147 4.340 -0.000 0.000 0.243 249 R C 1.727 177.862 176.300 -0.276 0.000 1.145 249 R CA 1.603 57.386 56.100 -0.528 0.000 0.976 249 R CB -0.808 29.333 30.300 -0.266 0.000 0.866 249 R HN 0.426 nan 8.270 nan 0.000 0.449 250 D N 0.783 121.122 120.400 -0.102 0.000 2.218 250 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 250 D C 1.406 177.714 176.300 0.014 0.000 0.976 250 D CA 0.902 54.940 54.000 0.062 0.000 0.853 250 D CB 0.155 41.177 40.800 0.370 0.000 0.939 250 D HN 0.444 nan 8.370 nan 0.000 0.481 251 I N -2.544 118.011 120.570 -0.025 0.000 3.658 251 I HA 0.267 4.436 4.170 -0.000 0.000 0.328 251 I C 1.365 177.442 176.117 -0.067 0.000 1.567 251 I CA -0.432 60.856 61.300 -0.019 0.000 1.078 251 I CB 0.245 38.273 38.000 0.047 0.000 1.267 251 I HN -0.222 nan 8.210 nan 0.000 0.495 252 Q N 2.925 122.592 119.800 -0.221 0.000 2.082 252 Q HA -0.284 4.056 4.340 -0.000 0.000 0.211 252 Q C 1.712 177.685 176.000 -0.045 0.000 1.002 252 Q CA 3.019 58.637 55.803 -0.308 0.000 0.868 252 Q CB -0.053 28.451 28.738 -0.391 0.000 0.931 252 Q HN 0.825 nan 8.270 nan 0.000 0.414 253 D N -0.549 119.828 120.400 -0.039 0.000 2.309 253 D HA -0.178 4.462 4.640 -0.000 0.000 0.212 253 D C 0.802 177.127 176.300 0.042 0.000 0.968 253 D CA 1.063 55.060 54.000 -0.005 0.000 0.882 253 D CB -0.097 40.694 40.800 -0.013 0.000 0.918 253 D HN 0.359 nan 8.370 nan 0.000 0.503 254 K N 0.098 120.534 120.400 0.060 0.000 2.374 254 K HA 0.196 4.516 4.320 -0.000 0.000 0.196 254 K C 0.017 176.696 176.600 0.133 0.000 1.023 254 K CA -0.111 56.237 56.287 0.102 0.000 1.103 254 K CB 1.663 34.192 32.500 0.048 0.000 0.848 254 K HN -0.016 nan 8.250 nan 0.000 0.528 255 V N 2.309 122.298 119.914 0.125 0.000 2.398 255 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 255 V C -0.411 175.645 176.094 -0.063 0.000 1.026 255 V CA -0.802 61.486 62.300 -0.020 0.000 0.868 255 V CB 1.027 32.799 31.823 -0.085 0.000 0.982 255 V HN 0.239 nan 8.190 nan 0.000 0.443 256 H N 4.551 123.347 119.070 -0.457 0.000 2.539 256 H HA 0.487 5.043 4.556 -0.000 0.000 0.332 256 H C -0.982 174.048 175.328 -0.497 0.000 1.031 256 H CA -0.534 55.285 56.048 -0.382 0.000 1.206 256 H CB 1.525 31.126 29.762 -0.269 0.000 1.446 256 H HN 0.477 nan 8.280 nan 0.000 0.496 257 F N 0.656 120.611 119.950 0.009 0.000 2.380 257 F HA 0.113 4.640 4.527 -0.000 0.000 0.319 257 F C 1.036 176.819 175.800 -0.029 0.000 1.113 257 F CA -0.746 57.220 58.000 -0.057 0.000 1.056 257 F CB 0.591 39.538 39.000 -0.089 0.000 1.289 257 F HN 0.640 nan 8.300 nan 0.000 0.515 258 N N -0.464 118.343 118.700 0.178 0.000 2.721 258 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 258 N C -1.067 174.508 175.510 0.108 0.000 1.072 258 N CA 0.473 53.592 53.050 0.115 0.000 0.710 258 N CB -0.953 37.606 38.487 0.121 0.000 0.993 258 N HN 0.635 nan 8.380 nan 0.000 0.547 259 A N 0.783 123.627 122.820 0.040 0.000 2.536 259 A HA 0.407 4.727 4.320 -0.000 0.000 0.329 259 A C -0.113 177.467 177.584 -0.006 0.000 1.321 259 A CA -0.421 51.631 52.037 0.025 0.000 0.804 259 A CB 0.758 19.578 19.000 -0.300 0.000 1.126 259 A HN 0.304 nan 8.150 nan 0.000 0.480 260 Q N 2.632 122.493 119.800 0.102 0.000 2.349 260 Q HA 0.459 4.799 4.340 -0.000 0.000 0.254 260 Q C -0.782 175.286 176.000 0.112 0.000 0.980 260 Q CA -0.356 55.493 55.803 0.077 0.000 0.924 260 Q CB 0.938 29.748 28.738 0.119 0.000 1.209 260 Q HN 0.495 nan 8.270 nan 0.000 0.445 261 V N 6.883 126.832 119.914 0.058 0.000 2.599 261 V HA -0.055 4.065 4.120 -0.000 0.000 0.300 261 V C 1.114 177.221 176.094 0.021 0.000 1.034 261 V CA 0.824 63.156 62.300 0.054 0.000 1.115 261 V CB 0.397 32.209 31.823 -0.017 0.000 0.934 261 V HN 0.859 nan 8.190 nan 0.000 0.485 262 I N 0.849 121.421 120.570 0.003 0.000 4.456 262 I HA 0.464 4.634 4.170 -0.000 0.000 0.329 262 I C 0.455 176.518 176.117 -0.091 0.000 1.313 262 I CA 0.019 61.304 61.300 -0.026 0.000 1.205 262 I CB 0.326 38.325 38.000 -0.001 0.000 1.179 262 I HN 0.399 nan 8.210 nan 0.000 0.419 263 K N 2.023 122.350 120.400 -0.122 0.000 2.523 263 K HA 0.701 5.021 4.320 -0.000 0.000 0.257 263 K C -1.414 175.051 176.600 -0.226 0.000 0.932 263 K CA -0.488 55.693 56.287 -0.177 0.000 0.812 263 K CB 3.353 35.794 32.500 -0.099 0.000 1.326 263 K HN 0.030 nan 8.250 nan 0.000 0.433 264 I N 2.756 123.122 120.570 -0.340 0.000 2.512 264 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 264 I C -0.940 175.105 176.117 -0.119 0.000 1.069 264 I CA -0.625 60.513 61.300 -0.271 0.000 1.056 264 I CB 2.156 39.892 38.000 -0.439 0.000 1.229 264 I HN 0.469 nan 8.210 nan 0.000 0.429 265 Q N 5.909 125.685 119.800 -0.040 0.000 2.433 265 Q HA 0.665 5.005 4.340 -0.000 0.000 0.279 265 Q C -1.253 174.761 176.000 0.024 0.000 1.105 265 Q CA -0.954 54.857 55.803 0.013 0.000 0.815 265 Q CB 3.231 31.968 28.738 -0.001 0.000 1.403 265 Q HN 0.615 nan 8.270 nan 0.000 0.435 266 Q N 0.490 120.314 119.800 0.041 0.000 2.482 266 Q HA 0.612 4.952 4.340 -0.000 0.000 0.286 266 Q C -1.561 174.453 176.000 0.022 0.000 1.007 266 Q CA -0.924 54.895 55.803 0.027 0.000 0.801 266 Q CB 1.672 30.437 28.738 0.046 0.000 1.455 266 Q HN 0.693 nan 8.270 nan 0.000 0.398 267 N N -0.331 118.373 118.700 0.006 0.000 3.229 267 N HA 0.333 5.073 4.740 -0.000 0.000 0.315 267 N C -0.594 174.915 175.510 -0.000 0.000 1.520 267 N CA -0.613 52.441 53.050 0.006 0.000 0.769 267 N CB 0.334 38.822 38.487 0.002 0.000 1.766 267 N HN 0.491 nan 8.380 nan 0.000 0.618 268 D N -0.937 119.464 120.400 0.002 0.000 2.263 268 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 268 D C 0.979 177.268 176.300 -0.017 0.000 0.971 268 D CA 1.280 55.281 54.000 0.001 0.000 0.867 268 D CB 0.085 40.889 40.800 0.008 0.000 0.929 268 D HN 0.426 nan 8.370 nan 0.000 0.492 269 Q N -0.422 119.362 119.800 -0.027 0.000 2.387 269 Q HA 0.153 4.493 4.340 -0.000 0.000 0.212 269 Q C 0.637 176.586 176.000 -0.085 0.000 0.925 269 Q CA 0.711 56.486 55.803 -0.046 0.000 0.901 269 Q CB 0.940 29.662 28.738 -0.027 0.000 1.020 269 Q HN 0.139 nan 8.270 nan 0.000 0.545 270 K N 0.459 120.817 120.400 -0.070 0.000 2.469 270 K HA 0.568 4.888 4.320 -0.000 0.000 0.268 270 K C -0.571 175.989 176.600 -0.068 0.000 1.027 270 K CA -0.761 55.473 56.287 -0.089 0.000 0.893 270 K CB 2.347 34.814 32.500 -0.056 0.000 1.460 270 K HN -0.023 nan 8.250 nan 0.000 0.449 271 V N -2.073 117.796 119.914 -0.075 0.000 2.769 271 V HA 0.735 4.855 4.120 -0.000 0.000 0.312 271 V C -0.579 175.485 176.094 -0.049 0.000 1.061 271 V CA -0.455 61.817 62.300 -0.048 0.000 0.931 271 V CB 1.819 33.617 31.823 -0.042 0.000 1.010 271 V HN 0.679 nan 8.190 nan 0.000 0.433 272 T N 3.441 117.974 114.554 -0.036 0.000 2.809 272 T HA 0.647 4.997 4.350 -0.000 0.000 0.284 272 T C -0.570 174.106 174.700 -0.041 0.000 0.992 272 T CA -0.369 61.711 62.100 -0.033 0.000 0.957 272 T CB 1.468 70.322 68.868 -0.024 0.000 0.942 272 T HN 0.740 nan 8.240 nan 0.000 0.439 273 V N 4.126 124.021 119.914 -0.031 0.000 2.384 273 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 273 V C -0.124 175.991 176.094 0.035 0.000 1.020 273 V CA -0.761 61.526 62.300 -0.020 0.000 0.850 273 V CB 1.681 33.489 31.823 -0.024 0.000 0.987 273 V HN 0.693 nan 8.190 nan 0.000 0.436 274 V N 6.405 126.321 119.914 0.003 0.000 2.435 274 V HA 0.597 4.716 4.120 -0.000 0.000 0.290 274 V C -0.645 175.483 176.094 0.057 0.000 1.030 274 V CA -0.577 61.712 62.300 -0.018 0.000 0.881 274 V CB 1.327 33.112 31.823 -0.065 0.000 0.983 274 V HN 0.888 nan 8.190 nan 0.000 0.445 275 Y N 1.385 121.661 120.300 -0.041 0.000 2.581 275 Y HA 0.795 5.345 4.550 -0.000 0.000 0.345 275 Y C -0.377 175.518 175.900 -0.008 0.000 1.036 275 Y CA -1.323 56.759 58.100 -0.030 0.000 1.042 275 Y CB 1.298 39.736 38.460 -0.036 0.000 1.289 275 Y HN 0.585 nan 8.280 nan 0.000 0.471 276 E N 1.209 121.500 120.200 0.152 0.000 2.283 276 E HA 0.532 4.882 4.350 -0.000 0.000 0.267 276 E C -0.469 176.241 176.600 0.185 0.000 1.045 276 E CA -0.668 55.782 56.400 0.083 0.000 0.884 276 E CB 1.742 31.488 29.700 0.076 0.000 1.106 276 E HN 0.838 nan 8.360 nan 0.000 0.408 277 T N -2.212 112.410 114.554 0.114 0.000 2.724 277 T HA 0.334 4.683 4.350 -0.000 0.000 0.274 277 T C 0.923 175.680 174.700 0.093 0.000 0.984 277 T CA -0.836 61.350 62.100 0.142 0.000 1.024 277 T CB 0.237 69.180 68.868 0.125 0.000 1.320 277 T HN 0.345 nan 8.240 nan 0.000 0.555 278 L N 0.973 122.247 121.223 0.086 0.000 2.376 278 L HA 0.131 4.471 4.340 -0.000 0.000 0.219 278 L C 1.755 178.651 176.870 0.044 0.000 1.133 278 L CA 0.557 55.435 54.840 0.063 0.000 0.816 278 L CB -0.484 41.610 42.059 0.059 0.000 0.933 278 L HN 0.825 nan 8.230 nan 0.000 0.449 279 S N -1.432 114.292 115.700 0.040 0.000 2.677 279 S HA 0.257 4.727 4.470 -0.000 0.000 0.290 279 S C 1.005 175.614 174.600 0.015 0.000 1.124 279 S CA -0.771 57.443 58.200 0.023 0.000 1.017 279 S CB 0.969 64.180 63.200 0.019 0.000 1.215 279 S HN -0.101 nan 8.310 nan 0.000 0.524 280 K N 0.640 121.042 120.400 0.005 0.000 2.432 280 K HA 0.168 4.488 4.320 -0.000 0.000 0.196 280 K C 0.608 177.197 176.600 -0.018 0.000 1.038 280 K CA 0.274 56.559 56.287 -0.004 0.000 0.986 280 K CB -0.606 31.891 32.500 -0.006 0.000 0.782 280 K HN 0.761 nan 8.250 nan 0.000 0.485 281 E N 2.022 122.210 120.200 -0.021 0.000 2.415 281 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 281 E C -0.654 175.893 176.600 -0.088 0.000 0.995 281 E CA 0.276 56.647 56.400 -0.047 0.000 0.915 281 E CB 0.455 30.134 29.700 -0.035 0.000 0.951 281 E HN 0.044 nan 8.360 nan 0.000 0.449 282 T N 2.910 117.382 114.554 -0.135 0.000 3.241 282 T HA 0.395 4.745 4.350 -0.000 0.000 0.387 282 T C -2.540 171.963 174.700 -0.328 0.000 1.451 282 T CA -1.926 60.042 62.100 -0.219 0.000 1.363 282 T CB 0.973 69.761 68.868 -0.133 0.000 1.074 282 T HN 0.234 nan 8.240 nan 0.000 0.598 283 P HA 0.312 nan 4.420 nan 0.000 0.269 283 P C -0.305 176.722 177.300 -0.454 0.000 1.217 283 P CA -0.218 62.582 63.100 -0.500 0.000 0.783 283 P CB 0.590 31.945 31.700 -0.575 0.000 0.898 284 S N 0.951 116.539 115.700 -0.186 0.000 2.502 284 S HA 0.552 5.022 4.470 -0.000 0.000 0.304 284 S C -1.182 173.429 174.600 0.018 0.000 1.097 284 S CA -0.727 57.427 58.200 -0.076 0.000 1.045 284 S CB 0.628 63.793 63.200 -0.058 0.000 1.019 284 S HN 0.243 nan 8.310 nan 0.000 0.481 285 V N 5.037 124.991 119.914 0.068 0.000 2.540 285 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 285 V C -0.442 175.669 176.094 0.027 0.000 1.035 285 V CA -0.111 62.242 62.300 0.088 0.000 0.873 285 V CB 1.945 33.846 31.823 0.130 0.000 0.992 285 V HN 0.966 nan 8.190 nan 0.000 0.428 286 T N 6.419 121.001 114.554 0.045 0.000 2.829 286 T HA 0.866 5.216 4.350 -0.000 0.000 0.282 286 T C -0.074 174.623 174.700 -0.004 0.000 0.990 286 T CA 0.320 62.428 62.100 0.013 0.000 1.028 286 T CB 1.405 70.292 68.868 0.033 0.000 0.951 286 T HN 1.258 nan 8.240 nan 0.000 0.460 287 A N 2.003 124.760 122.820 -0.106 0.000 2.568 287 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 287 A C 0.223 177.721 177.584 -0.143 0.000 1.159 287 A CA -0.653 51.263 52.037 -0.202 0.000 0.679 287 A CB 0.833 19.481 19.000 -0.586 0.000 1.285 287 A HN 0.662 nan 8.150 nan 0.000 0.428 288 D N -1.126 119.188 120.400 -0.142 0.000 2.183 288 D HA 0.150 4.789 4.640 -0.000 0.000 0.205 288 D C -0.520 175.411 176.300 -0.615 0.000 0.962 288 D CA 1.928 55.725 54.000 -0.337 0.000 0.849 288 D CB 0.142 40.792 40.800 -0.250 0.000 0.978 288 D HN 0.471 nan 8.370 nan 0.000 0.488 289 Y N -1.130 119.141 120.300 -0.047 0.000 2.615 289 Y HA 0.456 5.006 4.550 -0.000 0.000 0.341 289 Y C -0.593 175.266 175.900 -0.067 0.000 1.089 289 Y CA -1.144 56.944 58.100 -0.019 0.000 1.049 289 Y CB 2.436 40.868 38.460 -0.046 0.000 1.296 289 Y HN -0.364 nan 8.280 nan 0.000 0.470 290 V N 3.435 123.448 119.914 0.165 0.000 2.733 290 V HA 0.623 4.743 4.120 -0.000 0.000 0.306 290 V C -1.635 174.481 176.094 0.036 0.000 1.084 290 V CA -0.702 61.619 62.300 0.035 0.000 0.905 290 V CB 1.661 33.477 31.823 -0.012 0.000 1.010 290 V HN 0.666 nan 8.190 nan 0.000 0.424 291 I N 6.843 127.394 120.570 -0.031 0.000 2.382 291 I HA 0.423 4.593 4.170 -0.000 0.000 0.286 291 I C -0.402 175.661 176.117 -0.089 0.000 1.002 291 I CA -0.931 60.337 61.300 -0.053 0.000 1.135 291 I CB 1.920 39.892 38.000 -0.047 0.000 1.288 291 I HN 0.307 nan 8.210 nan 0.000 0.448 292 V N 5.800 125.601 119.914 -0.188 0.000 2.408 292 V HA 0.067 4.186 4.120 -0.000 0.000 0.267 292 V C 0.311 176.451 176.094 0.076 0.000 1.047 292 V CA -0.156 62.105 62.300 -0.064 0.000 0.937 292 V CB 0.882 32.652 31.823 -0.088 0.000 0.999 292 V HN 0.910 nan 8.190 nan 0.000 0.472 293 C N 3.677 123.030 119.300 0.088 0.000 2.660 293 C HA 0.318 4.778 4.460 -0.000 0.000 0.265 293 C C 1.339 176.418 174.990 0.148 0.000 1.573 293 C CA -0.415 58.669 59.018 0.109 0.000 1.751 293 C CB -1.234 26.529 27.740 0.039 0.000 3.033 293 C HN 0.956 nan 8.230 nan 0.000 0.511 294 T N -1.332 113.351 114.554 0.215 0.000 2.884 294 T HA 0.544 4.894 4.350 -0.000 0.000 0.277 294 T C 0.471 175.353 174.700 0.303 0.000 0.976 294 T CA -0.023 62.198 62.100 0.202 0.000 0.956 294 T CB 0.778 69.751 68.868 0.175 0.000 1.113 294 T HN 0.408 nan 8.240 nan 0.000 0.554 295 T N -0.679 114.005 114.554 0.217 0.000 2.813 295 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 295 T C 1.711 176.433 174.700 0.037 0.000 1.036 295 T CA -0.181 62.046 62.100 0.212 0.000 1.044 295 T CB 0.479 69.372 68.868 0.043 0.000 0.993 295 T HN 0.849 nan 8.240 nan 0.000 0.535 296 S N 1.194 116.704 115.700 -0.317 0.000 2.383 296 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 296 S C 1.999 176.441 174.600 -0.264 0.000 1.030 296 S CA 0.630 58.422 58.200 -0.680 0.000 1.002 296 S CB -0.544 62.071 63.200 -0.976 0.000 0.829 296 S HN 0.744 nan 8.310 nan 0.000 0.467 297 R N 1.507 121.884 120.500 -0.206 0.000 2.092 297 R HA 0.136 4.476 4.340 -0.000 0.000 0.231 297 R C 2.735 179.004 176.300 -0.052 0.000 1.119 297 R CA 1.146 57.162 56.100 -0.141 0.000 0.970 297 R CB -0.736 29.445 30.300 -0.199 0.000 0.864 297 R HN 0.564 nan 8.270 nan 0.000 0.440 298 A N 0.755 123.566 122.820 -0.016 0.000 2.019 298 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 298 A C 2.274 179.925 177.584 0.113 0.000 1.164 298 A CA 1.151 53.226 52.037 0.063 0.000 0.644 298 A CB -0.368 18.694 19.000 0.104 0.000 0.805 298 A HN 0.111 nan 8.150 nan 0.000 0.449 299 V N 0.080 120.072 119.914 0.131 0.000 2.407 299 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 299 V C 2.449 178.704 176.094 0.269 0.000 1.055 299 V CA 2.131 64.588 62.300 0.262 0.000 1.049 299 V CB -0.826 31.151 31.823 0.257 0.000 0.662 299 V HN 0.552 nan 8.190 nan 0.000 0.455 300 R N -0.358 120.217 120.500 0.126 0.000 2.285 300 R HA 0.032 4.372 4.340 -0.000 0.000 0.213 300 R C 1.952 178.319 176.300 0.111 0.000 1.068 300 R CA 0.795 56.958 56.100 0.104 0.000 1.004 300 R CB -0.228 30.086 30.300 0.023 0.000 0.873 300 R HN 0.456 nan 8.270 nan 0.000 0.467 301 L N 0.419 121.705 121.223 0.105 0.000 2.446 301 L HA 0.133 4.473 4.340 -0.000 0.000 0.219 301 L C 0.748 177.661 176.870 0.072 0.000 1.116 301 L CA 0.179 55.065 54.840 0.076 0.000 0.844 301 L CB 0.098 42.197 42.059 0.065 0.000 0.970 301 L HN 0.066 nan 8.230 nan 0.000 0.457 302 I N 0.725 121.355 120.570 0.101 0.000 2.395 302 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 302 I C 0.484 176.579 176.117 -0.036 0.000 1.023 302 I CA -0.164 61.115 61.300 -0.035 0.000 1.350 302 I CB 1.118 39.015 38.000 -0.171 0.000 1.409 302 I HN -0.023 nan 8.210 nan 0.000 0.507 303 K N 6.577 126.910 120.400 -0.112 0.000 2.285 303 K HA 0.364 4.684 4.320 -0.000 0.000 0.286 303 K C -1.337 175.183 176.600 -0.134 0.000 1.072 303 K CA -0.240 56.032 56.287 -0.025 0.000 0.913 303 K CB 0.476 32.965 32.500 -0.017 0.000 1.067 303 K HN 0.277 nan 8.250 nan 0.000 0.479 304 F N 2.930 122.906 119.950 0.043 0.000 2.443 304 F HA 0.319 4.845 4.527 -0.000 0.000 0.335 304 F C 0.303 176.124 175.800 0.035 0.000 1.104 304 F CA -0.607 57.422 58.000 0.047 0.000 1.013 304 F CB 1.628 40.671 39.000 0.072 0.000 1.136 304 F HN 0.546 nan 8.300 nan 0.000 0.470 305 N N 4.165 122.980 118.700 0.191 0.000 2.533 305 N HA 0.327 5.067 4.740 -0.000 0.000 0.289 305 N C -2.953 172.621 175.510 0.107 0.000 1.103 305 N CA -1.769 51.351 53.050 0.118 0.000 0.877 305 N CB 1.917 40.441 38.487 0.061 0.000 1.419 305 N HN 0.172 nan 8.380 nan 0.000 0.517 306 P HA 0.193 nan 4.420 nan 0.000 0.272 306 P C -2.770 174.611 177.300 0.136 0.000 1.230 306 P CA -0.848 62.308 63.100 0.094 0.000 0.788 306 P CB 0.272 32.010 31.700 0.064 0.000 0.949 307 P HA 0.103 nan 4.420 nan 0.000 0.270 307 P C 0.060 177.376 177.300 0.027 0.000 1.223 307 P CA 0.013 63.181 63.100 0.113 0.000 0.785 307 P CB 0.579 32.323 31.700 0.073 0.000 0.923 308 L N 1.490 122.665 121.223 -0.079 0.000 2.453 308 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 308 L C 1.185 177.996 176.870 -0.099 0.000 1.182 308 L CA -0.287 54.444 54.840 -0.183 0.000 0.858 308 L CB -0.421 41.416 42.059 -0.371 0.000 1.120 308 L HN 0.274 nan 8.230 nan 0.000 0.474 309 L N 4.697 125.871 121.223 -0.080 0.000 2.499 309 L HA -0.024 4.316 4.340 -0.000 0.000 0.281 309 L C -1.115 175.723 176.870 -0.052 0.000 1.234 309 L CA -1.125 53.686 54.840 -0.048 0.000 0.839 309 L CB -0.110 41.927 42.059 -0.036 0.000 1.104 309 L HN 0.467 nan 8.230 nan 0.000 0.500 310 P HA -0.231 nan 4.420 nan 0.000 0.217 310 P C 1.108 178.419 177.300 0.018 0.000 1.162 310 P CA 1.633 64.732 63.100 -0.001 0.000 0.901 310 P CB 0.137 31.847 31.700 0.016 0.000 0.793 311 K N -0.344 120.060 120.400 0.006 0.000 2.026 311 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 311 K C 2.225 178.797 176.600 -0.046 0.000 1.048 311 K CA 1.429 57.719 56.287 0.004 0.000 0.929 311 K CB -0.351 32.137 32.500 -0.020 0.000 0.713 311 K HN 0.113 nan 8.250 nan 0.000 0.439 312 K N 0.950 121.289 120.400 -0.101 0.000 2.057 312 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 312 K C 2.160 178.637 176.600 -0.205 0.000 1.050 312 K CA 1.156 57.330 56.287 -0.189 0.000 0.935 312 K CB -0.094 32.246 32.500 -0.266 0.000 0.715 312 K HN 0.107 nan 8.250 nan 0.000 0.439 313 A N 1.195 123.927 122.820 -0.147 0.000 1.883 313 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 313 A C 2.128 179.658 177.584 -0.091 0.000 1.186 313 A CA 1.918 53.880 52.037 -0.125 0.000 0.624 313 A CB -1.040 17.910 19.000 -0.082 0.000 0.822 313 A HN 0.534 nan 8.150 nan 0.000 0.444 314 H N 0.263 119.231 119.070 -0.169 0.000 2.353 314 H HA 0.005 4.561 4.556 -0.000 0.000 0.300 314 H C 2.323 177.364 175.328 -0.479 0.000 1.090 314 H CA 1.679 57.618 56.048 -0.182 0.000 1.327 314 H CB -0.635 29.115 29.762 -0.019 0.000 1.383 314 H HN 0.381 nan 8.280 nan 0.000 0.508 315 A N 0.975 123.473 122.820 -0.537 0.000 1.883 315 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 315 A C 2.879 180.055 177.584 -0.681 0.000 1.186 315 A CA 1.618 52.980 52.037 -1.125 0.000 0.624 315 A CB -1.019 17.619 19.000 -0.603 0.000 0.822 315 A HN 0.447 nan 8.150 nan 0.000 0.444 316 L N -1.120 119.863 121.223 -0.400 0.000 2.083 316 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 316 L C 2.791 179.522 176.870 -0.232 0.000 1.083 316 L CA 1.835 56.484 54.840 -0.318 0.000 0.752 316 L CB -0.465 41.438 42.059 -0.259 0.000 0.899 316 L HN 0.531 nan 8.230 nan 0.000 0.433 317 R N -0.182 120.208 120.500 -0.183 0.000 2.062 317 R HA -0.106 4.234 4.340 -0.000 0.000 0.229 317 R C 2.237 178.495 176.300 -0.069 0.000 1.128 317 R CA 1.826 57.870 56.100 -0.094 0.000 0.960 317 R CB -0.066 30.202 30.300 -0.055 0.000 0.855 317 R HN 0.156 nan 8.270 nan 0.000 0.432 318 S N 0.076 115.697 115.700 -0.131 0.000 2.458 318 S HA 0.105 4.575 4.470 -0.000 0.000 0.223 318 S C 0.391 174.940 174.600 -0.085 0.000 1.019 318 S CA 0.009 58.170 58.200 -0.065 0.000 0.937 318 S CB 0.414 63.637 63.200 0.039 0.000 0.788 318 S HN 0.082 nan 8.310 nan 0.000 0.511 319 V N 3.685 123.432 119.914 -0.279 0.000 2.539 319 V HA -0.064 4.055 4.120 -0.000 0.000 0.300 319 V C 0.421 176.569 176.094 0.089 0.000 1.019 319 V CA 0.400 62.593 62.300 -0.178 0.000 1.160 319 V CB -0.517 31.164 31.823 -0.236 0.000 0.901 319 V HN 0.429 nan 8.190 nan 0.000 0.481 320 H N 5.221 124.310 119.070 0.031 0.000 2.551 320 H HA 0.481 5.037 4.556 -0.000 0.000 0.358 320 H C -1.017 174.341 175.328 0.050 0.000 1.151 320 H CA -0.026 56.104 56.048 0.136 0.000 1.374 320 H CB 0.599 30.462 29.762 0.169 0.000 1.473 320 H HN 0.539 nan 8.280 nan 0.000 0.574 321 Y N 1.536 121.544 120.300 -0.486 0.000 2.477 321 Y HA 0.310 4.860 4.550 -0.000 0.000 0.347 321 Y C -0.201 175.427 175.900 -0.454 0.000 0.981 321 Y CA -1.016 56.899 58.100 -0.309 0.000 1.033 321 Y CB 1.438 39.804 38.460 -0.158 0.000 1.245 321 Y HN 0.661 nan 8.280 nan 0.000 0.455 322 R N 0.804 121.273 120.500 -0.052 0.000 2.532 322 R HA 0.771 5.111 4.340 -0.000 0.000 0.295 322 R C -0.738 175.616 176.300 0.090 0.000 0.968 322 R CA -0.703 55.408 56.100 0.019 0.000 0.916 322 R CB 1.424 31.745 30.300 0.036 0.000 1.124 322 R HN 0.555 nan 8.270 nan 0.000 0.463 323 S N 0.409 116.183 115.700 0.123 0.000 2.589 323 S HA 0.469 4.938 4.470 -0.000 0.000 0.265 323 S C 0.090 174.801 174.600 0.185 0.000 1.342 323 S CA 0.135 58.435 58.200 0.167 0.000 1.005 323 S CB 1.231 64.536 63.200 0.175 0.000 0.909 323 S HN 0.778 nan 8.310 nan 0.000 0.555 324 G N 0.822 109.786 108.800 0.273 0.000 2.668 324 G HA2 0.527 4.487 3.960 -0.000 0.000 0.284 324 G HA3 0.527 4.487 3.960 -0.000 0.000 0.284 324 G C -1.187 173.971 174.900 0.431 0.000 1.456 324 G CA -0.440 44.874 45.100 0.358 0.000 1.214 324 G HN 0.557 nan 8.290 nan 0.000 0.568 325 T N 2.083 116.854 114.554 0.362 0.000 2.881 325 T HA 0.529 4.879 4.350 -0.000 0.000 0.290 325 T C -0.414 174.379 174.700 0.155 0.000 1.000 325 T CA -0.585 61.644 62.100 0.216 0.000 0.978 325 T CB 1.791 70.740 68.868 0.135 0.000 0.997 325 T HN 0.411 nan 8.240 nan 0.000 0.443 326 K N 2.858 123.265 120.400 0.011 0.000 2.345 326 K HA 0.614 4.934 4.320 -0.000 0.000 0.255 326 K C -0.933 175.445 176.600 -0.370 0.000 0.934 326 K CA -0.667 55.475 56.287 -0.243 0.000 0.801 326 K CB 2.219 34.499 32.500 -0.366 0.000 1.137 326 K HN 0.486 nan 8.250 nan 0.000 0.424 327 I N 3.865 124.107 120.570 -0.547 0.000 2.355 327 I HA 0.323 4.493 4.170 -0.000 0.000 0.288 327 I C -0.904 174.875 176.117 -0.564 0.000 0.999 327 I CA -0.757 60.264 61.300 -0.465 0.000 1.163 327 I CB 0.646 38.329 38.000 -0.530 0.000 1.316 327 I HN 0.361 nan 8.210 nan 0.000 0.454 328 F N 6.521 126.321 119.950 -0.250 0.000 2.436 328 F HA 0.537 5.064 4.527 -0.000 0.000 0.340 328 F C -0.083 175.532 175.800 -0.309 0.000 1.113 328 F CA -0.654 57.205 58.000 -0.236 0.000 1.022 328 F CB 1.151 40.056 39.000 -0.157 0.000 1.128 328 F HN 0.119 nan 8.300 nan 0.000 0.466 329 L N 3.168 124.285 121.223 -0.177 0.000 2.333 329 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 329 L C -0.370 176.325 176.870 -0.292 0.000 1.004 329 L CA -0.530 54.157 54.840 -0.255 0.000 0.820 329 L CB 1.923 43.856 42.059 -0.210 0.000 1.247 329 L HN 0.570 nan 8.230 nan 0.000 0.416 330 T N 2.053 116.272 114.554 -0.558 0.000 2.744 330 T HA 0.368 4.718 4.350 -0.000 0.000 0.291 330 T C -0.256 174.293 174.700 -0.252 0.000 0.957 330 T CA -0.243 61.467 62.100 -0.651 0.000 1.002 330 T CB 0.463 68.586 68.868 -1.243 0.000 0.919 330 T HN 0.538 nan 8.240 nan 0.000 0.468 331 c N 2.924 121.511 118.600 -0.021 0.000 2.456 331 c HA 0.539 5.108 4.570 -0.000 0.000 0.325 331 c C 1.940 176.103 174.090 0.122 0.000 1.217 331 c CA -0.822 55.611 56.329 0.174 0.000 1.687 331 c CB 1.132 43.855 42.510 0.354 0.000 2.270 331 c HN 1.013 nan 8.230 nan 0.000 0.499 332 T N -2.224 112.419 114.554 0.148 0.000 3.060 332 T HA 0.091 4.441 4.350 -0.000 0.000 0.249 332 T C 0.448 175.144 174.700 -0.006 0.000 1.079 332 T CA 0.417 62.572 62.100 0.091 0.000 1.013 332 T CB -0.136 68.808 68.868 0.126 0.000 0.975 332 T HN 0.646 nan 8.240 nan 0.000 0.518 333 T N 2.647 117.166 114.554 -0.058 0.000 2.892 333 T HA 0.341 4.691 4.350 -0.000 0.000 0.311 333 T C -0.465 173.967 174.700 -0.447 0.000 1.033 333 T CA -0.749 61.155 62.100 -0.326 0.000 0.991 333 T CB 1.396 69.831 68.868 -0.723 0.000 0.981 333 T HN 0.171 nan 8.240 nan 0.000 0.457 334 K N 3.524 123.501 120.400 -0.704 0.000 2.278 334 K HA 0.140 4.460 4.320 -0.000 0.000 0.237 334 K C 1.116 176.792 176.600 -1.540 0.000 1.229 334 K CA -0.282 55.040 56.287 -1.609 0.000 1.155 334 K CB -0.430 31.266 32.500 -1.340 0.000 1.590 334 K HN 0.689 nan 8.250 nan 0.000 0.290 335 F N -0.537 118.858 119.950 -0.925 0.000 2.236 335 F HA -0.215 4.312 4.527 -0.000 0.000 0.302 335 F C 1.568 177.155 175.800 -0.355 0.000 1.073 335 F CA 0.454 58.150 58.000 -0.506 0.000 1.336 335 F CB -0.857 38.039 39.000 -0.173 0.000 1.040 335 F HN 0.419 nan 8.300 nan 0.000 0.507 336 W N 1.424 122.247 121.300 -0.795 0.000 2.392 336 W HA 0.031 4.691 4.660 -0.000 0.000 0.279 336 W C 1.554 177.857 176.519 -0.361 0.000 1.225 336 W CA 0.996 58.016 57.345 -0.542 0.000 1.233 336 W CB -1.277 27.753 29.460 -0.717 0.000 1.122 336 W HN 0.108 nan 8.180 nan 0.000 0.561 337 E N 0.894 120.674 120.200 -0.699 0.000 2.268 337 E HA -0.181 4.169 4.350 -0.000 0.000 0.195 337 E C 1.309 177.750 176.600 -0.266 0.000 0.995 337 E CA 1.279 57.363 56.400 -0.527 0.000 0.836 337 E CB -0.371 29.022 29.700 -0.511 0.000 0.763 337 E HN 0.348 nan 8.360 nan 0.000 0.491 338 D N 1.099 121.396 120.400 -0.171 0.000 2.310 338 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 338 D C 0.862 177.183 176.300 0.034 0.000 0.965 338 D CA 0.836 54.811 54.000 -0.041 0.000 0.879 338 D CB -0.034 40.774 40.800 0.014 0.000 0.921 338 D HN 0.123 nan 8.370 nan 0.000 0.510 339 D N -0.660 119.776 120.400 0.059 0.000 2.339 339 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 339 D C 1.417 177.677 176.300 -0.066 0.000 1.050 339 D CA 0.293 54.359 54.000 0.110 0.000 0.856 339 D CB 0.650 41.648 40.800 0.329 0.000 0.922 339 D HN 0.204 nan 8.370 nan 0.000 0.518 340 G N 1.306 110.034 108.800 -0.120 0.000 2.136 340 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.242 340 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.242 340 G C 0.264 175.004 174.900 -0.266 0.000 0.989 340 G CA -0.274 44.745 45.100 -0.135 0.000 0.682 340 G HN 0.356 nan 8.290 nan 0.000 0.522 341 I N 1.570 121.896 120.570 -0.407 0.000 2.342 341 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 341 I C 0.071 175.815 176.117 -0.621 0.000 1.010 341 I CA -0.622 60.413 61.300 -0.441 0.000 1.308 341 I CB 0.876 38.580 38.000 -0.495 0.000 1.400 341 I HN 0.080 nan 8.210 nan 0.000 0.488 342 H N 5.384 124.416 119.070 -0.064 0.000 2.974 342 H HA 0.401 4.957 4.556 -0.000 0.000 0.285 342 H C 0.303 175.598 175.328 -0.055 0.000 1.227 342 H CA -0.199 55.839 56.048 -0.017 0.000 1.569 342 H CB 1.363 31.104 29.762 -0.035 0.000 1.648 342 H HN 0.906 nan 8.280 nan 0.000 0.521 343 G N 1.162 109.968 108.800 0.010 0.000 2.796 343 G HA2 0.223 4.183 3.960 -0.000 0.000 0.571 343 G HA3 0.223 4.183 3.960 -0.000 0.000 0.571 343 G C 0.226 175.091 174.900 -0.058 0.000 1.370 343 G CA -0.168 44.888 45.100 -0.073 0.000 0.856 343 G HN 1.336 nan 8.290 nan 0.000 0.538 344 G N -0.784 107.949 108.800 -0.112 0.000 2.615 344 G HA2 0.493 4.453 3.960 -0.000 0.000 0.218 344 G HA3 0.493 4.453 3.960 -0.000 0.000 0.218 344 G C -0.182 174.703 174.900 -0.025 0.000 1.339 344 G CA 1.015 46.077 45.100 -0.063 0.000 0.884 344 G HN 2.616 nan 8.290 nan 0.000 0.559 345 K N -1.827 118.525 120.400 -0.079 0.000 2.556 345 K HA 0.773 5.093 4.320 -0.000 0.000 0.274 345 K C -0.831 175.736 176.600 -0.055 0.000 0.966 345 K CA -0.659 55.510 56.287 -0.197 0.000 0.865 345 K CB 1.611 33.663 32.500 -0.748 0.000 1.444 345 K HN 0.757 nan 8.250 nan 0.000 0.433 346 S N 0.456 116.159 115.700 0.005 0.000 2.549 346 S HA 0.527 4.997 4.470 -0.000 0.000 0.297 346 S C -0.951 173.577 174.600 -0.120 0.000 1.115 346 S CA -0.570 57.629 58.200 -0.001 0.000 1.059 346 S CB 1.715 65.032 63.200 0.194 0.000 1.046 346 S HN 0.548 nan 8.310 nan 0.000 0.506 347 T N 1.912 116.347 114.554 -0.199 0.000 2.841 347 T HA 0.699 5.049 4.350 -0.000 0.000 0.283 347 T C -0.322 174.311 174.700 -0.113 0.000 1.000 347 T CA -0.487 61.463 62.100 -0.249 0.000 0.977 347 T CB 1.735 70.524 68.868 -0.131 0.000 0.979 347 T HN 0.564 nan 8.240 nan 0.000 0.446 348 T N 0.487 114.894 114.554 -0.246 0.000 2.843 348 T HA 0.409 4.759 4.350 -0.000 0.000 0.302 348 T C -0.638 173.980 174.700 -0.137 0.000 1.232 348 T CA -0.724 61.343 62.100 -0.055 0.000 1.009 348 T CB 1.431 70.326 68.868 0.045 0.000 1.254 348 T HN 0.589 nan 8.240 nan 0.000 0.504 349 D N 1.533 121.908 120.400 -0.041 0.000 2.340 349 D HA 0.224 4.864 4.640 -0.000 0.000 0.217 349 D C 0.810 177.060 176.300 -0.084 0.000 1.081 349 D CA -0.119 53.837 54.000 -0.073 0.000 0.842 349 D CB -0.228 40.546 40.800 -0.044 0.000 0.934 349 D HN 0.371 nan 8.370 nan 0.000 0.511 350 L N 0.240 121.438 121.223 -0.043 0.000 2.472 350 L HA 0.190 4.530 4.340 -0.000 0.000 0.260 350 L C -1.083 175.692 176.870 -0.158 0.000 1.209 350 L CA -1.712 53.088 54.840 -0.066 0.000 0.817 350 L CB 0.519 42.580 42.059 0.003 0.000 1.106 350 L HN -0.237 nan 8.230 nan 0.000 0.479 351 P HA -0.154 nan 4.420 nan 0.000 0.217 351 P C 1.390 178.706 177.300 0.027 0.000 1.148 351 P CA 1.162 64.045 63.100 -0.362 0.000 0.828 351 P CB 0.214 31.525 31.700 -0.648 0.000 0.783 352 S N -1.419 114.342 115.700 0.102 0.000 2.399 352 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 352 S C 1.225 175.841 174.600 0.026 0.000 1.022 352 S CA 0.898 59.173 58.200 0.125 0.000 0.983 352 S CB -0.432 62.782 63.200 0.023 0.000 0.803 352 S HN 0.026 nan 8.310 nan 0.000 0.480 353 R N -1.024 119.406 120.500 -0.118 0.000 1.396 353 R HA -0.222 4.118 4.340 -0.000 0.000 0.053 353 R C -0.537 175.305 176.300 -0.764 0.000 0.951 353 R CA 2.102 57.971 56.100 -0.385 0.000 1.960 353 R CB -1.471 28.713 30.300 -0.193 0.000 0.309 353 R HN 0.500 nan 8.270 nan 0.000 0.719 354 F N 0.439 120.371 119.950 -0.030 0.000 2.557 354 F HA 0.521 5.048 4.527 -0.000 0.000 0.316 354 F C 0.142 175.879 175.800 -0.105 0.000 1.141 354 F CA -0.921 57.027 58.000 -0.088 0.000 0.922 354 F CB 1.622 40.599 39.000 -0.038 0.000 1.194 354 F HN -0.159 nan 8.300 nan 0.000 0.443 355 I N 3.961 124.455 120.570 -0.127 0.000 2.339 355 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 355 I C -0.842 174.899 176.117 -0.628 0.000 0.994 355 I CA -1.058 60.054 61.300 -0.314 0.000 1.191 355 I CB 0.860 38.655 38.000 -0.341 0.000 1.343 355 I HN 0.502 nan 8.210 nan 0.000 0.458 356 Y N 5.987 125.990 120.300 -0.496 0.000 2.330 356 Y HA 0.423 4.973 4.550 -0.000 0.000 0.336 356 Y C -0.298 175.140 175.900 -0.769 0.000 1.036 356 Y CA -0.316 57.512 58.100 -0.454 0.000 1.125 356 Y CB 1.273 39.655 38.460 -0.130 0.000 1.194 356 Y HN 0.340 nan 8.280 nan 0.000 0.469 357 Y N 4.109 124.239 120.300 -0.284 0.000 2.387 357 Y HA 0.382 4.932 4.550 -0.000 0.000 0.336 357 Y C -2.076 173.595 175.900 -0.382 0.000 1.067 357 Y CA -3.062 54.708 58.100 -0.550 0.000 1.114 357 Y CB 0.707 38.782 38.460 -0.643 0.000 1.208 357 Y HN 0.429 nan 8.280 nan 0.000 0.458 358 P HA -0.055 nan 4.420 nan 0.000 0.266 358 P C -0.397 176.745 177.300 -0.264 0.000 1.195 358 P CA 0.202 63.109 63.100 -0.321 0.000 0.768 358 P CB 0.990 32.447 31.700 -0.406 0.000 0.838 359 N N 0.754 119.278 118.700 -0.294 0.000 2.236 359 N HA 0.020 4.760 4.740 -0.000 0.000 0.196 359 N C 0.497 175.983 175.510 -0.039 0.000 1.114 359 N CA 0.187 53.162 53.050 -0.125 0.000 0.859 359 N CB 0.162 38.602 38.487 -0.079 0.000 0.982 359 N HN 0.671 nan 8.380 nan 0.000 0.493 360 H N -1.473 117.548 119.070 -0.082 0.000 2.894 360 H HA 0.445 5.001 4.556 -0.000 0.000 0.368 360 H C -0.897 174.271 175.328 -0.266 0.000 1.181 360 H CA -0.706 55.258 56.048 -0.141 0.000 1.146 360 H CB 0.932 30.605 29.762 -0.150 0.000 1.839 360 H HN -0.226 nan 8.280 nan 0.000 0.557 361 N N 0.432 119.057 118.700 -0.125 0.000 2.404 361 N HA 0.360 5.100 4.740 -0.000 0.000 0.297 361 N C -1.107 174.297 175.510 -0.178 0.000 1.163 361 N CA -0.398 52.561 53.050 -0.152 0.000 0.864 361 N CB 2.026 40.505 38.487 -0.013 0.000 1.247 361 N HN 0.402 nan 8.380 nan 0.000 0.510 362 F N -0.034 120.009 119.950 0.154 0.000 2.507 362 F HA 0.216 4.743 4.527 -0.000 0.000 0.325 362 F C 1.815 177.690 175.800 0.126 0.000 1.116 362 F CA -0.763 57.337 58.000 0.168 0.000 0.930 362 F CB 1.814 40.932 39.000 0.196 0.000 1.146 362 F HN 0.377 nan 8.300 nan 0.000 0.447 363 T N 0.757 115.505 114.554 0.323 0.000 2.653 363 T HA -0.318 4.032 4.350 -0.000 0.000 0.267 363 T C 1.520 176.320 174.700 0.166 0.000 1.037 363 T CA 2.361 64.580 62.100 0.197 0.000 1.159 363 T CB -0.416 68.551 68.868 0.166 0.000 0.859 363 T HN 0.653 nan 8.240 nan 0.000 0.449 364 N N 1.130 119.943 118.700 0.189 0.000 2.571 364 N HA 0.193 4.933 4.740 -0.000 0.000 0.189 364 N C 1.232 176.822 175.510 0.134 0.000 1.154 364 N CA 0.900 54.039 53.050 0.148 0.000 0.907 364 N CB -0.696 37.884 38.487 0.155 0.000 0.977 364 N HN 0.573 nan 8.380 nan 0.000 0.449 365 G N -1.439 107.449 108.800 0.148 0.000 2.159 365 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 365 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 365 G C -0.150 174.816 174.900 0.109 0.000 0.977 365 G CA 0.256 45.412 45.100 0.094 0.000 0.652 365 G HN 0.331 nan 8.290 nan 0.000 0.531 366 V N 0.593 120.629 119.914 0.203 0.000 2.715 366 V HA 0.596 4.716 4.120 -0.000 0.000 0.299 366 V C 1.087 177.355 176.094 0.290 0.000 1.054 366 V CA 0.808 63.230 62.300 0.203 0.000 1.077 366 V CB 1.538 33.471 31.823 0.182 0.000 0.972 366 V HN 0.967 nan 8.190 nan 0.000 0.484 367 G N 3.062 111.995 108.800 0.222 0.000 2.617 367 G HA2 0.599 4.559 3.960 -0.000 0.000 0.306 367 G HA3 0.599 4.559 3.960 -0.000 0.000 0.306 367 G C -1.494 173.550 174.900 0.240 0.000 1.360 367 G CA -0.420 44.874 45.100 0.325 0.000 0.983 367 G HN 0.545 nan 8.290 nan 0.000 0.496 368 V N 3.485 123.464 119.914 0.108 0.000 2.384 368 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 368 V C 0.372 176.358 176.094 -0.180 0.000 1.020 368 V CA -0.640 61.639 62.300 -0.036 0.000 0.850 368 V CB 0.922 32.781 31.823 0.060 0.000 0.987 368 V HN 0.740 nan 8.190 nan 0.000 0.436 369 I N 3.178 123.561 120.570 -0.312 0.000 2.607 369 I HA 0.752 4.922 4.170 -0.000 0.000 0.305 369 I C -0.745 175.149 176.117 -0.370 0.000 0.995 369 I CA -0.786 60.204 61.300 -0.516 0.000 1.148 369 I CB 1.910 39.457 38.000 -0.755 0.000 1.323 369 I HN 0.380 nan 8.210 nan 0.000 0.461 370 I N 3.400 123.725 120.570 -0.408 0.000 2.533 370 I HA 0.607 4.777 4.170 -0.000 0.000 0.290 370 I C -0.201 175.738 176.117 -0.296 0.000 1.056 370 I CA -0.804 60.227 61.300 -0.449 0.000 1.057 370 I CB 2.059 39.772 38.000 -0.478 0.000 1.240 370 I HN 0.767 nan 8.210 nan 0.000 0.423 371 A N 5.547 128.175 122.820 -0.320 0.000 2.260 371 A HA 0.651 4.971 4.320 -0.000 0.000 0.314 371 A C -1.481 176.068 177.584 -0.058 0.000 1.257 371 A CA -0.267 51.673 52.037 -0.161 0.000 0.871 371 A CB 0.497 19.356 19.000 -0.234 0.000 1.166 371 A HN 0.597 nan 8.150 nan 0.000 0.522 372 Y N 1.959 122.253 120.300 -0.011 0.000 2.346 372 Y HA 0.617 5.166 4.550 -0.000 0.000 0.332 372 Y C 0.009 176.012 175.900 0.172 0.000 0.985 372 Y CA -1.089 57.027 58.100 0.026 0.000 1.112 372 Y CB 1.467 39.935 38.460 0.014 0.000 1.170 372 Y HN 0.843 nan 8.280 nan 0.000 0.447 373 G N 5.927 114.806 108.800 0.130 0.000 2.574 373 G HA2 0.676 4.636 3.960 -0.000 0.000 0.299 373 G HA3 0.676 4.636 3.960 -0.000 0.000 0.299 373 G C -1.488 173.380 174.900 -0.052 0.000 1.298 373 G CA -1.007 44.103 45.100 0.016 0.000 0.952 373 G HN 0.859 nan 8.290 nan 0.000 0.477 374 I N -1.488 119.027 120.570 -0.092 0.000 3.002 374 I HA 0.898 5.068 4.170 -0.000 0.000 0.310 374 I C 0.893 177.029 176.117 0.030 0.000 1.087 374 I CA -0.406 60.867 61.300 -0.045 0.000 1.017 374 I CB 1.900 39.792 38.000 -0.180 0.000 1.226 374 I HN 1.347 nan 8.210 nan 0.000 0.443 375 G N 2.871 111.713 108.800 0.070 0.000 2.582 375 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.288 375 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.288 375 G C 0.327 175.328 174.900 0.168 0.000 1.247 375 G CA 0.839 46.013 45.100 0.123 0.000 0.972 375 G HN 0.837 nan 8.290 nan 0.000 0.557 376 D N 0.760 121.276 120.400 0.193 0.000 2.265 376 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 376 D C 2.010 178.416 176.300 0.177 0.000 0.977 376 D CA 1.388 55.506 54.000 0.196 0.000 0.871 376 D CB -0.263 40.663 40.800 0.209 0.000 0.925 376 D HN 0.419 nan 8.370 nan 0.000 0.485 377 D N 0.150 120.635 120.400 0.142 0.000 2.144 377 D HA -0.075 4.564 4.640 -0.000 0.000 0.200 377 D C 1.998 178.456 176.300 0.264 0.000 0.978 377 D CA 1.070 55.152 54.000 0.137 0.000 0.833 377 D CB -0.088 40.775 40.800 0.104 0.000 0.961 377 D HN 0.163 nan 8.370 nan 0.000 0.470 378 A N 1.177 124.154 122.820 0.261 0.000 1.897 378 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 378 A C 1.930 179.721 177.584 0.344 0.000 1.181 378 A CA 0.959 53.201 52.037 0.341 0.000 0.620 378 A CB -0.379 18.770 19.000 0.248 0.000 0.821 378 A HN 0.089 nan 8.150 nan 0.000 0.443 379 N N -0.716 118.133 118.700 0.249 0.000 2.348 379 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 379 N C 1.282 176.891 175.510 0.166 0.000 1.019 379 N CA 1.207 54.373 53.050 0.194 0.000 0.880 379 N CB -0.622 37.964 38.487 0.166 0.000 0.965 379 N HN 0.553 nan 8.380 nan 0.000 0.437 380 F N 0.745 120.701 119.950 0.009 0.000 2.120 380 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 380 F C 1.519 177.195 175.800 -0.206 0.000 1.095 380 F CA 1.432 59.332 58.000 -0.167 0.000 1.249 380 F CB -0.326 38.452 39.000 -0.370 0.000 0.995 380 F HN -0.083 nan 8.300 nan 0.000 0.480 381 F N -0.203 119.818 119.950 0.119 0.000 2.789 381 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 381 F C 2.361 178.147 175.800 -0.023 0.000 1.132 381 F CA 0.560 58.569 58.000 0.016 0.000 1.404 381 F CB -0.856 38.195 39.000 0.084 0.000 1.114 381 F HN 0.018 nan 8.300 nan 0.000 0.584 382 Q N 1.060 120.954 119.800 0.158 0.000 2.096 382 Q HA -0.264 4.076 4.340 -0.000 0.000 0.208 382 Q C 2.156 178.184 176.000 0.048 0.000 0.993 382 Q CA 2.155 58.017 55.803 0.099 0.000 0.862 382 Q CB -0.203 28.584 28.738 0.082 0.000 0.915 382 Q HN 0.405 nan 8.270 nan 0.000 0.416 383 A N -0.396 122.422 122.820 -0.003 0.000 2.251 383 A HA 0.218 4.538 4.320 -0.000 0.000 0.209 383 A C 0.410 177.986 177.584 -0.013 0.000 1.187 383 A CA -0.165 51.862 52.037 -0.016 0.000 0.823 383 A CB 0.085 19.058 19.000 -0.045 0.000 0.846 383 A HN 0.282 nan 8.150 nan 0.000 0.486 384 L N 1.568 122.791 121.223 -0.001 0.000 2.326 384 L HA 0.293 4.633 4.340 -0.000 0.000 0.278 384 L C -0.050 176.861 176.870 0.068 0.000 1.092 384 L CA -1.004 53.849 54.840 0.021 0.000 0.810 384 L CB 0.904 42.979 42.059 0.027 0.000 1.153 384 L HN 0.384 nan 8.230 nan 0.000 0.439 385 D N 0.910 121.354 120.400 0.073 0.000 2.371 385 D HA -0.066 4.574 4.640 -0.000 0.000 0.242 385 D C 0.946 177.337 176.300 0.152 0.000 1.218 385 D CA -0.270 53.799 54.000 0.114 0.000 0.945 385 D CB 0.557 41.422 40.800 0.109 0.000 1.137 385 D HN 0.403 nan 8.370 nan 0.000 0.464 386 F N 0.605 120.579 119.950 0.041 0.000 2.045 386 F HA -0.282 4.245 4.527 -0.000 0.000 0.297 386 F C 2.136 177.976 175.800 0.067 0.000 1.114 386 F CA 2.026 60.052 58.000 0.043 0.000 1.207 386 F CB -0.052 38.971 39.000 0.038 0.000 0.964 386 F HN 0.160 nan 8.300 nan 0.000 0.486 387 K N 0.059 120.634 120.400 0.292 0.000 2.063 387 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 387 K C 1.747 178.420 176.600 0.121 0.000 1.048 387 K CA 1.739 58.151 56.287 0.209 0.000 0.928 387 K CB -0.888 31.734 32.500 0.202 0.000 0.713 387 K HN 0.363 nan 8.250 nan 0.000 0.442 388 D N 0.559 121.023 120.400 0.107 0.000 2.144 388 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 388 D C 2.076 178.450 176.300 0.123 0.000 0.978 388 D CA 0.692 54.753 54.000 0.102 0.000 0.833 388 D CB -0.369 40.479 40.800 0.079 0.000 0.961 388 D HN 0.119 nan 8.370 nan 0.000 0.470 389 C N 1.075 120.430 119.300 0.091 0.000 2.432 389 C HA -0.022 4.438 4.460 -0.000 0.000 0.277 389 C C 2.929 177.910 174.990 -0.015 0.000 1.249 389 C CA 0.816 59.908 59.018 0.123 0.000 1.725 389 C CB -0.947 26.750 27.740 -0.070 0.000 2.028 389 C HN 0.368 nan 8.230 nan 0.000 0.477 390 A N 0.380 123.114 122.820 -0.143 0.000 1.902 390 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 390 A C 1.811 179.417 177.584 0.037 0.000 1.181 390 A CA 2.328 54.254 52.037 -0.184 0.000 0.623 390 A CB -0.777 18.141 19.000 -0.136 0.000 0.818 390 A HN 0.599 nan 8.150 nan 0.000 0.443 391 D N -0.130 120.381 120.400 0.186 0.000 2.123 391 D HA -0.152 4.488 4.640 -0.000 0.000 0.196 391 D C 1.689 178.113 176.300 0.207 0.000 0.992 391 D CA 1.522 55.678 54.000 0.260 0.000 0.833 391 D CB -0.224 40.679 40.800 0.171 0.000 0.954 391 D HN 0.507 nan 8.370 nan 0.000 0.455 392 I N -0.448 120.231 120.570 0.182 0.000 2.179 392 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 392 I C 2.365 178.562 176.117 0.132 0.000 1.088 392 I CA 0.618 62.037 61.300 0.198 0.000 1.357 392 I CB -0.192 38.027 38.000 0.366 0.000 1.051 392 I HN -0.001 nan 8.210 nan 0.000 0.409 393 V N 0.422 120.362 119.914 0.044 0.000 2.343 393 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 393 V C 2.228 178.271 176.094 -0.084 0.000 1.051 393 V CA 1.940 64.186 62.300 -0.091 0.000 1.036 393 V CB -0.731 30.918 31.823 -0.290 0.000 0.654 393 V HN 0.275 nan 8.190 nan 0.000 0.451 394 F N 0.514 120.467 119.950 0.005 0.000 2.134 394 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 394 F C 2.520 178.302 175.800 -0.031 0.000 1.097 394 F CA 1.589 59.582 58.000 -0.012 0.000 1.264 394 F CB -0.378 38.611 39.000 -0.017 0.000 1.001 394 F HN 0.199 nan 8.300 nan 0.000 0.479 395 N N 0.489 119.291 118.700 0.170 0.000 2.084 395 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 395 N C 1.365 176.870 175.510 -0.007 0.000 1.030 395 N CA 1.665 54.753 53.050 0.063 0.000 0.849 395 N CB -0.686 37.836 38.487 0.057 0.000 1.012 395 N HN 0.224 nan 8.380 nan 0.000 0.423 396 D N 0.825 121.221 120.400 -0.007 0.000 2.117 396 D HA -0.075 4.564 4.640 -0.000 0.000 0.197 396 D C 2.188 178.429 176.300 -0.099 0.000 0.987 396 D CA 0.492 54.447 54.000 -0.076 0.000 0.829 396 D CB -0.408 40.371 40.800 -0.036 0.000 0.961 396 D HN 0.228 nan 8.370 nan 0.000 0.460 397 L N 0.388 121.616 121.223 0.008 0.000 2.083 397 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 397 L C 2.533 179.433 176.870 0.051 0.000 1.083 397 L CA 0.857 55.771 54.840 0.123 0.000 0.752 397 L CB -0.411 41.776 42.059 0.214 0.000 0.899 397 L HN 0.010 nan 8.230 nan 0.000 0.433 398 S N 0.074 115.761 115.700 -0.022 0.000 2.370 398 S HA -0.154 4.316 4.470 -0.000 0.000 0.226 398 S C 1.944 176.438 174.600 -0.176 0.000 1.033 398 S CA 1.283 59.434 58.200 -0.082 0.000 1.011 398 S CB -0.105 63.052 63.200 -0.072 0.000 0.852 398 S HN 0.304 nan 8.310 nan 0.000 0.457 399 L N 0.489 121.534 121.223 -0.297 0.000 2.095 399 L HA 0.056 4.396 4.340 -0.000 0.000 0.204 399 L C 2.352 178.774 176.870 -0.746 0.000 1.080 399 L CA 0.937 55.445 54.840 -0.554 0.000 0.759 399 L CB -0.469 41.099 42.059 -0.818 0.000 0.914 399 L HN 0.321 nan 8.230 nan 0.000 0.439 400 I N -0.736 119.437 120.570 -0.661 0.000 2.226 400 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 400 I C 2.063 177.700 176.117 -0.799 0.000 1.100 400 I CA 1.265 62.191 61.300 -0.625 0.000 1.374 400 I CB -0.314 37.479 38.000 -0.346 0.000 1.057 400 I HN 0.350 nan 8.210 nan 0.000 0.413 401 H N 0.327 119.215 119.070 -0.303 0.000 2.586 401 H HA 0.164 4.719 4.556 -0.000 0.000 0.273 401 H C 0.238 175.434 175.328 -0.220 0.000 0.997 401 H CA 0.008 55.932 56.048 -0.206 0.000 1.177 401 H CB 0.335 30.212 29.762 0.193 0.000 1.471 401 H HN 0.347 nan 8.280 nan 0.000 0.538 402 Q N 0.887 120.558 119.800 -0.215 0.000 2.443 402 Q HA -0.174 4.166 4.340 -0.000 0.000 0.337 402 Q C -1.122 174.838 176.000 -0.067 0.000 1.401 402 Q CA 0.216 55.924 55.803 -0.159 0.000 0.943 402 Q CB -1.106 27.522 28.738 -0.183 0.000 1.177 402 Q HN 0.416 nan 8.270 nan 0.000 0.394 403 L N 0.108 121.293 121.223 -0.064 0.000 2.388 403 L HA 0.622 4.962 4.340 -0.000 0.000 0.264 403 L C -2.237 174.569 176.870 -0.107 0.000 0.998 403 L CA -2.440 52.361 54.840 -0.066 0.000 0.817 403 L CB 1.955 43.963 42.059 -0.085 0.000 1.338 403 L HN -0.015 nan 8.230 nan 0.000 0.414 404 P HA 0.022 nan 4.420 nan 0.000 0.265 404 P C 0.133 177.328 177.300 -0.175 0.000 1.193 404 P CA -0.061 62.961 63.100 -0.130 0.000 0.765 404 P CB 0.737 32.359 31.700 -0.129 0.000 0.823 405 K N 3.928 124.240 120.400 -0.147 0.000 2.074 405 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 405 K C 1.385 177.830 176.600 -0.258 0.000 1.048 405 K CA 1.709 57.901 56.287 -0.158 0.000 0.926 405 K CB -0.067 32.365 32.500 -0.114 0.000 0.713 405 K HN 0.270 nan 8.250 nan 0.000 0.444 406 K N 0.318 120.572 120.400 -0.245 0.000 2.103 406 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 406 K C 1.711 178.086 176.600 -0.374 0.000 1.048 406 K CA 1.762 57.881 56.287 -0.280 0.000 0.930 406 K CB -0.096 32.281 32.500 -0.205 0.000 0.716 406 K HN 0.245 nan 8.250 nan 0.000 0.444 407 D N 0.880 121.022 120.400 -0.430 0.000 2.097 407 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 407 D C 1.840 177.521 176.300 -1.033 0.000 0.984 407 D CA 1.012 54.557 54.000 -0.758 0.000 0.826 407 D CB -0.174 40.240 40.800 -0.644 0.000 0.973 407 D HN 0.163 nan 8.370 nan 0.000 0.460 408 I N 0.631 120.841 120.570 -0.599 0.000 2.286 408 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 408 I C 2.123 178.163 176.117 -0.129 0.000 1.115 408 I CA 1.005 62.117 61.300 -0.313 0.000 1.392 408 I CB -0.298 37.620 38.000 -0.137 0.000 1.065 408 I HN -0.008 nan 8.210 nan 0.000 0.418 409 Q N -0.314 119.242 119.800 -0.406 0.000 2.364 409 Q HA -0.141 4.199 4.340 -0.000 0.000 0.207 409 Q C 2.271 178.146 176.000 -0.209 0.000 0.970 409 Q CA 1.284 56.761 55.803 -0.543 0.000 0.888 409 Q CB 0.007 28.309 28.738 -0.728 0.000 0.951 409 Q HN 0.395 nan 8.270 nan 0.000 0.469 410 S N -0.703 114.853 115.700 -0.240 0.000 2.427 410 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 410 S C 1.371 176.030 174.600 0.098 0.000 1.047 410 S CA 0.109 58.235 58.200 -0.124 0.000 0.953 410 S CB 0.074 63.129 63.200 -0.243 0.000 0.824 410 S HN 0.265 nan 8.310 nan 0.000 0.502 411 F N 2.145 122.144 119.950 0.081 0.000 2.234 411 F HA 0.224 4.751 4.527 -0.000 0.000 0.299 411 F C 1.370 177.306 175.800 0.226 0.000 1.087 411 F CA -0.772 57.315 58.000 0.146 0.000 1.340 411 F CB -1.064 38.047 39.000 0.185 0.000 1.031 411 F HN 0.247 nan 8.300 nan 0.000 0.500 412 c N -1.943 116.933 118.600 0.460 0.000 3.044 412 c HA 0.722 5.291 4.570 -0.000 0.000 0.315 412 c C -0.791 173.597 174.090 0.498 0.000 1.320 412 c CA -1.225 55.362 56.329 0.430 0.000 1.582 412 c CB 1.378 44.152 42.510 0.441 0.000 2.039 412 c HN 0.366 nan 8.230 nan 0.000 0.466 413 Y N -1.663 118.810 120.300 0.288 0.000 2.544 413 Y HA 0.683 5.233 4.550 -0.000 0.000 0.342 413 Y C -3.310 172.721 175.900 0.219 0.000 1.062 413 Y CA -2.887 55.400 58.100 0.311 0.000 1.023 413 Y CB 0.599 39.190 38.460 0.217 0.000 1.308 413 Y HN 0.412 nan 8.280 nan 0.000 0.457 414 P HA 0.139 nan 4.420 nan 0.000 0.269 414 P C 0.305 177.761 177.300 0.260 0.000 1.252 414 P CA 0.215 63.349 63.100 0.057 0.000 0.780 414 P CB 1.267 32.978 31.700 0.018 0.000 0.829 415 S N 2.351 118.023 115.700 -0.048 0.000 2.468 415 S HA 0.184 4.654 4.470 -0.000 0.000 0.226 415 S C 0.564 175.275 174.600 0.185 0.000 1.051 415 S CA 0.277 58.538 58.200 0.101 0.000 0.943 415 S CB -0.051 63.033 63.200 -0.194 0.000 0.810 415 S HN 0.218 nan 8.310 nan 0.000 0.509 416 V N 1.155 121.145 119.914 0.126 0.000 3.048 416 V HA 0.546 4.666 4.120 -0.000 0.000 0.303 416 V C -1.334 174.878 176.094 0.197 0.000 1.214 416 V CA -0.843 61.483 62.300 0.043 0.000 0.984 416 V CB 1.957 33.518 31.823 -0.437 0.000 1.054 416 V HN 0.376 nan 8.190 nan 0.000 0.430 417 I N 2.808 123.492 120.570 0.191 0.000 2.512 417 I HA 0.479 4.649 4.170 -0.000 0.000 0.287 417 I C -1.076 175.053 176.117 0.021 0.000 1.069 417 I CA -0.525 60.812 61.300 0.061 0.000 1.056 417 I CB 2.184 40.119 38.000 -0.108 0.000 1.229 417 I HN 0.639 nan 8.210 nan 0.000 0.429 418 Q N 6.519 126.315 119.800 -0.007 0.000 2.357 418 Q HA 0.364 4.704 4.340 -0.000 0.000 0.266 418 Q C -1.308 174.542 176.000 -0.251 0.000 1.021 418 Q CA -0.415 55.257 55.803 -0.219 0.000 0.784 418 Q CB 1.224 29.790 28.738 -0.287 0.000 1.243 418 Q HN 0.387 nan 8.270 nan 0.000 0.465 419 K N 3.824 124.084 120.400 -0.232 0.000 2.300 419 K HA 0.146 4.465 4.320 -0.000 0.000 0.264 419 K C -0.151 176.380 176.600 -0.116 0.000 1.083 419 K CA -0.225 56.010 56.287 -0.087 0.000 0.958 419 K CB 0.487 32.980 32.500 -0.012 0.000 1.318 419 K HN 0.714 nan 8.250 nan 0.000 0.448 420 W N 0.964 122.307 121.300 0.072 0.000 2.364 420 W HA -0.182 4.478 4.660 -0.000 0.000 0.281 420 W C 1.863 178.404 176.519 0.038 0.000 1.219 420 W CA 0.817 58.197 57.345 0.058 0.000 1.220 420 W CB 0.096 29.597 29.460 0.068 0.000 1.127 420 W HN 0.460 nan 8.180 nan 0.000 0.556 421 S N 0.216 116.054 115.700 0.231 0.000 2.474 421 S HA -0.059 4.411 4.470 -0.000 0.000 0.235 421 S C 1.456 176.099 174.600 0.071 0.000 0.997 421 S CA 0.717 58.998 58.200 0.135 0.000 0.949 421 S CB -0.267 63.004 63.200 0.118 0.000 0.766 421 S HN 0.220 nan 8.310 nan 0.000 0.517 422 L N 0.883 122.134 121.223 0.047 0.000 2.667 422 L HA 0.225 4.565 4.340 -0.000 0.000 0.232 422 L C 0.603 177.456 176.870 -0.030 0.000 1.138 422 L CA -0.059 54.781 54.840 -0.001 0.000 0.921 422 L CB -0.058 41.993 42.059 -0.013 0.000 1.180 422 L HN 0.201 nan 8.230 nan 0.000 0.487 423 D N 2.281 122.687 120.400 0.009 0.000 2.371 423 D HA -0.034 4.606 4.640 -0.000 0.000 0.256 423 D C 1.028 177.308 176.300 -0.033 0.000 1.193 423 D CA -0.054 53.950 54.000 0.006 0.000 0.881 423 D CB 1.314 42.229 40.800 0.191 0.000 1.143 423 D HN 0.315 nan 8.370 nan 0.000 0.473 424 K N 2.989 123.288 120.400 -0.167 0.000 2.218 424 K HA -0.218 4.102 4.320 -0.000 0.000 0.205 424 K C 0.981 177.353 176.600 -0.379 0.000 1.046 424 K CA 1.421 57.510 56.287 -0.330 0.000 0.933 424 K CB -0.164 32.012 32.500 -0.540 0.000 0.728 424 K HN 0.523 nan 8.250 nan 0.000 0.454 425 Y N 0.172 120.505 120.300 0.056 0.000 2.500 425 Y HA 0.269 4.819 4.550 -0.000 0.000 0.284 425 Y C 2.715 178.644 175.900 0.049 0.000 1.118 425 Y CA 0.075 58.209 58.100 0.056 0.000 1.241 425 Y CB 0.133 38.637 38.460 0.073 0.000 1.171 425 Y HN 0.119 nan 8.280 nan 0.000 0.540 426 A N 0.333 123.283 122.820 0.218 0.000 1.898 426 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 426 A C 1.542 179.106 177.584 -0.033 0.000 1.181 426 A CA 1.685 53.795 52.037 0.123 0.000 0.620 426 A CB -0.646 18.482 19.000 0.213 0.000 0.819 426 A HN 0.544 nan 8.150 nan 0.000 0.442 427 M N -2.989 116.601 119.600 -0.017 0.000 2.856 427 M HA -0.202 4.277 4.480 -0.000 0.000 0.189 427 M C 0.410 176.600 176.300 -0.183 0.000 0.612 427 M CA 0.724 55.968 55.300 -0.093 0.000 0.673 427 M CB -2.166 30.363 32.600 -0.118 0.000 2.440 427 M HN 0.899 nan 8.290 nan 0.000 0.437 428 G N -1.726 106.983 108.800 -0.153 0.000 2.489 428 G HA2 0.549 4.509 3.960 -0.000 0.000 0.291 428 G HA3 0.549 4.509 3.960 -0.000 0.000 0.291 428 G C 0.012 174.958 174.900 0.077 0.000 1.487 428 G CA -0.297 44.706 45.100 -0.163 0.000 0.795 428 G HN 0.260 nan 8.290 nan 0.000 0.513 429 G N -0.869 108.055 108.800 0.207 0.000 2.670 429 G HA2 0.429 4.389 3.960 -0.000 0.000 0.219 429 G HA3 0.429 4.389 3.960 -0.000 0.000 0.219 429 G C 0.316 175.308 174.900 0.153 0.000 1.342 429 G CA 0.301 45.528 45.100 0.211 0.000 0.902 429 G HN 0.689 nan 8.290 nan 0.000 0.553 430 I N 0.883 121.541 120.570 0.147 0.000 2.498 430 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 430 I C -0.477 175.566 176.117 -0.124 0.000 1.032 430 I CA -0.645 60.667 61.300 0.020 0.000 1.073 430 I CB 2.412 40.368 38.000 -0.074 0.000 1.251 430 I HN -0.014 nan 8.210 nan 0.000 0.426 431 T N 4.077 118.402 114.554 -0.381 0.000 2.822 431 T HA 0.075 4.425 4.350 -0.000 0.000 0.288 431 T C 0.049 174.481 174.700 -0.446 0.000 0.991 431 T CA 0.451 62.032 62.100 -0.865 0.000 1.176 431 T CB -0.176 68.193 68.868 -0.831 0.000 0.951 431 T HN 0.577 nan 8.240 nan 0.000 0.526 432 T N 4.679 119.072 114.554 -0.268 0.000 3.089 432 T HA 0.318 4.668 4.350 -0.000 0.000 0.340 432 T C -0.050 174.844 174.700 0.324 0.000 1.008 432 T CA -0.537 61.604 62.100 0.069 0.000 1.096 432 T CB 0.141 69.084 68.868 0.125 0.000 1.024 432 T HN 0.471 nan 8.240 nan 0.000 0.477 433 F N 3.214 123.172 119.950 0.013 0.000 2.538 433 F HA 0.205 4.732 4.527 -0.000 0.000 0.371 433 F C 1.814 177.718 175.800 0.175 0.000 1.087 433 F CA -0.671 57.330 58.000 0.001 0.000 1.250 433 F CB 0.813 39.587 39.000 -0.376 0.000 1.110 433 F HN 0.434 nan 8.300 nan 0.000 0.570 434 T N 1.770 116.519 114.554 0.326 0.000 2.881 434 T HA 0.310 4.660 4.350 -0.000 0.000 0.278 434 T C -2.668 172.209 174.700 0.295 0.000 0.982 434 T CA -2.431 59.833 62.100 0.273 0.000 0.989 434 T CB 1.168 70.129 68.868 0.156 0.000 1.058 434 T HN 0.170 nan 8.240 nan 0.000 0.529 435 P HA 0.031 nan 4.420 nan 0.000 0.263 435 P C -0.321 177.182 177.300 0.338 0.000 1.175 435 P CA 0.554 63.821 63.100 0.278 0.000 0.761 435 P CB -0.260 31.605 31.700 0.275 0.000 0.794 436 Y N -0.384 119.992 120.300 0.127 0.000 4.779 436 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 436 Y C 1.874 177.748 175.900 -0.044 0.000 0.973 436 Y CA 1.391 59.502 58.100 0.018 0.000 1.792 436 Y CB -2.178 36.216 38.460 -0.109 0.000 1.120 436 Y HN 0.455 nan 8.280 nan 0.000 0.450 437 Q N -0.528 119.334 119.800 0.104 0.000 2.167 437 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 437 Q C 1.615 177.553 176.000 -0.104 0.000 0.970 437 Q CA 1.674 57.386 55.803 -0.153 0.000 0.855 437 Q CB -0.276 28.272 28.738 -0.316 0.000 0.911 437 Q HN 0.608 nan 8.270 nan 0.000 0.438 438 F N 1.838 121.964 119.950 0.293 0.000 2.075 438 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 438 F C 2.730 178.661 175.800 0.217 0.000 1.113 438 F CA 1.742 60.004 58.000 0.436 0.000 1.218 438 F CB -0.201 39.024 39.000 0.375 0.000 0.984 438 F HN 0.150 nan 8.300 nan 0.000 0.472 439 Q N -1.100 118.892 119.800 0.320 0.000 2.172 439 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 439 Q C 1.629 177.707 176.000 0.130 0.000 0.964 439 Q CA 1.804 57.722 55.803 0.192 0.000 0.855 439 Q CB -0.672 28.145 28.738 0.133 0.000 0.918 439 Q HN 0.471 nan 8.270 nan 0.000 0.444 440 H N -0.412 118.583 119.070 -0.126 0.000 2.465 440 H HA 0.167 4.723 4.556 -0.000 0.000 0.289 440 H C 0.685 175.807 175.328 -0.342 0.000 1.022 440 H CA 0.889 56.724 56.048 -0.355 0.000 1.340 440 H CB 0.202 29.542 29.762 -0.703 0.000 1.437 440 H HN 0.284 nan 8.280 nan 0.000 0.539 441 F N -1.511 118.370 119.950 -0.116 0.000 2.727 441 F HA 0.141 4.667 4.527 -0.000 0.000 0.302 441 F C 2.338 178.098 175.800 -0.068 0.000 1.107 441 F CA -0.072 57.794 58.000 -0.223 0.000 1.277 441 F CB 0.433 39.206 39.000 -0.378 0.000 1.079 441 F HN -0.013 nan 8.300 nan 0.000 0.594 442 S N 0.669 116.518 115.700 0.248 0.000 2.359 442 S HA -0.221 4.249 4.470 -0.000 0.000 0.222 442 S C 1.490 176.207 174.600 0.194 0.000 1.038 442 S CA 1.946 60.331 58.200 0.308 0.000 1.051 442 S CB -0.323 63.098 63.200 0.369 0.000 0.944 442 S HN 0.333 nan 8.310 nan 0.000 0.433 443 D N 0.997 121.480 120.400 0.138 0.000 2.097 443 D HA -0.028 4.612 4.640 -0.000 0.000 0.195 443 D C -0.646 175.685 176.300 0.053 0.000 0.989 443 D CA 1.117 55.171 54.000 0.090 0.000 0.827 443 D CB -1.831 39.011 40.800 0.070 0.000 0.966 443 D HN 0.320 nan 8.370 nan 0.000 0.456 444 P HA -0.063 nan 4.420 nan 0.000 0.218 444 P C 1.689 178.952 177.300 -0.061 0.000 1.148 444 P CA 0.761 63.847 63.100 -0.023 0.000 0.822 444 P CB 0.020 31.706 31.700 -0.024 0.000 0.784 445 L N -1.194 120.035 121.223 0.011 0.000 2.072 445 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 445 L C 2.422 179.305 176.870 0.022 0.000 1.079 445 L CA 2.071 56.940 54.840 0.048 0.000 0.752 445 L CB -1.501 40.696 42.059 0.229 0.000 0.906 445 L HN 0.121 nan 8.230 nan 0.000 0.436 446 T N -2.373 112.215 114.554 0.057 0.000 3.043 446 T HA 0.186 4.536 4.350 -0.000 0.000 0.263 446 T C 1.005 175.756 174.700 0.085 0.000 1.094 446 T CA 0.272 62.414 62.100 0.070 0.000 1.127 446 T CB -0.248 68.671 68.868 0.086 0.000 0.905 446 T HN 0.191 nan 8.240 nan 0.000 0.490 447 A N 2.444 125.287 122.820 0.039 0.000 2.531 447 A HA 0.503 4.823 4.320 -0.000 0.000 0.236 447 A C 0.855 178.478 177.584 0.065 0.000 1.062 447 A CA -0.172 51.885 52.037 0.032 0.000 0.760 447 A CB -0.074 18.923 19.000 -0.005 0.000 0.995 447 A HN 0.735 nan 8.150 nan 0.000 0.501 448 S N 1.500 117.203 115.700 0.004 0.000 2.672 448 S HA 0.559 5.029 4.470 -0.000 0.000 0.276 448 S C -0.293 174.262 174.600 -0.075 0.000 1.207 448 S CA -0.564 57.564 58.200 -0.120 0.000 1.002 448 S CB 1.262 64.063 63.200 -0.665 0.000 0.998 448 S HN 0.801 nan 8.310 nan 0.000 0.542 449 Q N 0.571 120.340 119.800 -0.050 0.000 2.397 449 Q HA 0.495 4.835 4.340 -0.000 0.000 0.260 449 Q C 0.565 176.550 176.000 -0.026 0.000 1.002 449 Q CA 0.166 55.965 55.803 -0.007 0.000 0.716 449 Q CB 0.393 29.166 28.738 0.058 0.000 1.258 449 Q HN 1.312 nan 8.270 nan 0.000 0.477 450 G N 3.301 112.081 108.800 -0.033 0.000 2.565 450 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.295 450 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.295 450 G C 0.287 175.202 174.900 0.026 0.000 1.165 450 G CA 0.325 45.431 45.100 0.011 0.000 0.977 450 G HN 0.667 nan 8.290 nan 0.000 0.546 451 R N 0.115 120.672 120.500 0.095 0.000 2.388 451 R HA 0.403 4.743 4.340 -0.000 0.000 0.247 451 R C 0.456 176.927 176.300 0.285 0.000 0.931 451 R CA -0.008 56.254 56.100 0.271 0.000 1.082 451 R CB 0.121 30.477 30.300 0.094 0.000 1.135 451 R HN 0.421 nan 8.270 nan 0.000 0.525 452 I N 1.305 121.911 120.570 0.059 0.000 2.312 452 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 452 I C -0.642 175.345 176.117 -0.217 0.000 1.008 452 I CA -0.744 60.553 61.300 -0.005 0.000 1.226 452 I CB 0.690 38.701 38.000 0.019 0.000 1.371 452 I HN -0.081 nan 8.210 nan 0.000 0.468 453 Y N 5.594 125.776 120.300 -0.196 0.000 2.567 453 Y HA 0.614 5.164 4.550 -0.000 0.000 0.333 453 Y C -0.453 175.204 175.900 -0.406 0.000 1.106 453 Y CA -0.792 57.230 58.100 -0.128 0.000 1.157 453 Y CB 1.486 39.913 38.460 -0.055 0.000 1.277 453 Y HN 0.266 nan 8.280 nan 0.000 0.490 454 F N 0.508 120.557 119.950 0.166 0.000 2.556 454 F HA 0.802 5.329 4.527 -0.000 0.000 0.314 454 F C -0.064 175.747 175.800 0.017 0.000 1.106 454 F CA -0.836 57.225 58.000 0.101 0.000 0.911 454 F CB 1.867 40.924 39.000 0.095 0.000 1.190 454 F HN 0.531 nan 8.300 nan 0.000 0.448 455 A N 1.315 124.209 122.820 0.125 0.000 2.569 455 A HA 1.003 5.323 4.320 -0.000 0.000 0.290 455 A C -0.370 177.163 177.584 -0.085 0.000 1.136 455 A CA -0.381 51.648 52.037 -0.014 0.000 0.710 455 A CB 1.717 20.712 19.000 -0.008 0.000 1.303 455 A HN 1.722 nan 8.150 nan 0.000 0.413 456 G N -0.858 107.867 108.800 -0.126 0.000 2.362 456 G HA2 0.268 4.228 3.960 -0.000 0.000 0.656 456 G HA3 0.268 4.228 3.960 -0.000 0.000 0.656 456 G C 0.307 175.130 174.900 -0.127 0.000 1.376 456 G CA 0.389 45.439 45.100 -0.084 0.000 0.971 456 G HN 1.184 nan 8.290 nan 0.000 0.636 457 E N -0.672 119.537 120.200 0.016 0.000 2.108 457 E HA -0.311 4.038 4.350 -0.000 0.000 0.203 457 E C 2.083 178.733 176.600 0.082 0.000 1.022 457 E CA 2.687 59.125 56.400 0.064 0.000 0.823 457 E CB -0.317 29.440 29.700 0.095 0.000 0.744 457 E HN 0.881 nan 8.360 nan 0.000 0.456 458 Y N 0.228 120.565 120.300 0.061 0.000 2.483 458 Y HA -0.042 4.508 4.550 -0.000 0.000 0.291 458 Y C 2.166 178.160 175.900 0.156 0.000 1.143 458 Y CA 1.350 59.457 58.100 0.012 0.000 1.289 458 Y CB -0.825 37.670 38.460 0.059 0.000 0.983 458 Y HN 0.062 nan 8.280 nan 0.000 0.556 459 T N -2.093 112.208 114.554 -0.423 0.000 3.060 459 T HA 0.532 4.882 4.350 -0.000 0.000 0.249 459 T C 0.894 175.572 174.700 -0.037 0.000 1.079 459 T CA 0.022 61.986 62.100 -0.226 0.000 1.013 459 T CB -0.499 68.162 68.868 -0.346 0.000 0.975 459 T HN 0.473 nan 8.240 nan 0.000 0.518 460 A N 1.274 124.090 122.820 -0.007 0.000 2.332 460 A HA 0.403 4.723 4.320 -0.000 0.000 0.258 460 A C 1.372 178.952 177.584 -0.006 0.000 1.087 460 A CA -0.479 51.556 52.037 -0.002 0.000 0.802 460 A CB 0.341 19.346 19.000 0.008 0.000 1.042 460 A HN 0.430 nan 8.150 nan 0.000 0.489 461 Q N -0.335 119.445 119.800 -0.032 0.000 2.224 461 Q HA 0.033 4.373 4.340 -0.000 0.000 0.203 461 Q C 0.581 176.487 176.000 -0.156 0.000 0.970 461 Q CA 1.271 57.049 55.803 -0.042 0.000 0.865 461 Q CB -0.043 28.688 28.738 -0.012 0.000 0.922 461 Q HN 0.791 nan 8.270 nan 0.000 0.445 462 A N 0.483 123.201 122.820 -0.171 0.000 2.386 462 A HA 0.518 4.838 4.320 -0.000 0.000 0.311 462 A C -1.283 176.222 177.584 -0.132 0.000 1.068 462 A CA -0.798 51.113 52.037 -0.210 0.000 0.743 462 A CB 0.805 19.767 19.000 -0.065 0.000 1.258 462 A HN 0.138 nan 8.150 nan 0.000 0.429 463 H N 0.271 119.361 119.070 0.033 0.000 2.463 463 H HA 0.548 5.104 4.556 -0.000 0.000 0.332 463 H C 1.107 176.464 175.328 0.048 0.000 1.127 463 H CA 0.202 56.249 56.048 -0.002 0.000 1.238 463 H CB 1.555 31.254 29.762 -0.104 0.000 1.478 463 H HN 1.520 nan 8.280 nan 0.000 0.499 464 G N 1.553 110.377 108.800 0.039 0.000 2.132 464 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.234 464 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.234 464 G C -0.733 173.767 174.900 -0.667 0.000 0.989 464 G CA -0.291 44.641 45.100 -0.280 0.000 0.676 464 G HN 0.570 nan 8.290 nan 0.000 0.522 465 W N -1.004 120.353 121.300 0.095 0.000 2.900 465 W HA 0.666 5.326 4.660 -0.000 0.000 0.336 465 W C 1.232 177.756 176.519 0.008 0.000 1.064 465 W CA -1.175 56.222 57.345 0.087 0.000 1.237 465 W CB 0.729 30.257 29.460 0.114 0.000 1.391 465 W HN -0.055 nan 8.180 nan 0.000 0.468 466 I N 1.033 121.745 120.570 0.237 0.000 2.194 466 I HA -0.337 3.833 4.170 -0.000 0.000 0.246 466 I C 2.010 178.182 176.117 0.090 0.000 1.093 466 I CA 1.912 63.286 61.300 0.123 0.000 1.355 466 I CB -0.211 37.861 38.000 0.120 0.000 1.046 466 I HN 0.578 nan 8.210 nan 0.000 0.413 467 D N 0.177 120.625 120.400 0.081 0.000 2.106 467 D HA -0.240 4.400 4.640 -0.000 0.000 0.191 467 D C 2.311 178.579 176.300 -0.052 0.000 0.997 467 D CA 1.870 55.840 54.000 -0.049 0.000 0.834 467 D CB 0.018 40.572 40.800 -0.410 0.000 0.956 467 D HN 0.104 nan 8.370 nan 0.000 0.448 468 S N -1.705 113.951 115.700 -0.073 0.000 2.383 468 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 468 S C 1.942 176.527 174.600 -0.026 0.000 1.026 468 S CA 1.677 59.855 58.200 -0.038 0.000 0.981 468 S CB -0.489 62.703 63.200 -0.013 0.000 0.818 468 S HN 0.327 nan 8.310 nan 0.000 0.472 469 T N 2.366 116.923 114.554 0.006 0.000 2.746 469 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 469 T C 1.684 176.359 174.700 -0.042 0.000 1.039 469 T CA 1.418 63.511 62.100 -0.011 0.000 1.142 469 T CB -0.329 68.545 68.868 0.010 0.000 0.866 469 T HN 0.380 nan 8.240 nan 0.000 0.444 470 I N 0.759 121.309 120.570 -0.032 0.000 2.208 470 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 470 I C 2.682 178.750 176.117 -0.083 0.000 1.097 470 I CA 1.311 62.583 61.300 -0.047 0.000 1.363 470 I CB -0.321 37.675 38.000 -0.008 0.000 1.051 470 I HN 0.179 nan 8.210 nan 0.000 0.413 471 K N 0.852 121.183 120.400 -0.115 0.000 2.103 471 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 471 K C 2.327 178.691 176.600 -0.393 0.000 1.048 471 K CA 1.893 58.005 56.287 -0.293 0.000 0.930 471 K CB -0.051 32.291 32.500 -0.262 0.000 0.716 471 K HN 0.415 nan 8.250 nan 0.000 0.444 472 S N -0.649 114.917 115.700 -0.223 0.000 2.402 472 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 472 S C 2.111 176.626 174.600 -0.141 0.000 1.021 472 S CA 1.130 59.221 58.200 -0.182 0.000 0.974 472 S CB -0.507 62.622 63.200 -0.118 0.000 0.800 472 S HN 0.414 nan 8.310 nan 0.000 0.484 473 G N 1.767 110.500 108.800 -0.112 0.000 2.394 473 G HA2 0.057 4.017 3.960 -0.000 0.000 0.215 473 G HA3 0.057 4.017 3.960 -0.000 0.000 0.215 473 G C 1.474 176.341 174.900 -0.055 0.000 1.165 473 G CA 0.711 45.771 45.100 -0.066 0.000 0.784 473 G HN 0.503 nan 8.290 nan 0.000 0.535 474 L N -0.149 121.028 121.223 -0.077 0.000 2.093 474 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 474 L C 2.899 179.814 176.870 0.075 0.000 1.085 474 L CA 1.051 55.909 54.840 0.030 0.000 0.755 474 L CB -0.375 41.744 42.059 0.100 0.000 0.904 474 L HN 0.204 nan 8.230 nan 0.000 0.435 475 R N 0.616 121.008 120.500 -0.181 0.000 2.073 475 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 475 R C 2.362 178.706 176.300 0.073 0.000 1.134 475 R CA 1.567 57.659 56.100 -0.014 0.000 0.952 475 R CB -0.242 29.925 30.300 -0.221 0.000 0.850 475 R HN 0.305 nan 8.270 nan 0.000 0.433 476 A N 0.746 123.570 122.820 0.007 0.000 1.902 476 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 476 A C 2.364 179.865 177.584 -0.140 0.000 1.181 476 A CA 1.688 53.722 52.037 -0.004 0.000 0.623 476 A CB -0.759 18.252 19.000 0.019 0.000 0.818 476 A HN 0.567 nan 8.150 nan 0.000 0.443 477 A N -0.347 122.421 122.820 -0.088 0.000 1.902 477 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 477 A C 2.276 179.787 177.584 -0.120 0.000 1.181 477 A CA 1.724 53.688 52.037 -0.122 0.000 0.623 477 A CB -0.519 18.464 19.000 -0.028 0.000 0.818 477 A HN 0.548 nan 8.150 nan 0.000 0.443 478 R N -0.403 120.098 120.500 0.003 0.000 2.081 478 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 478 R C 1.342 177.605 176.300 -0.062 0.000 1.131 478 R CA 1.837 57.947 56.100 0.017 0.000 0.960 478 R CB -0.374 30.009 30.300 0.138 0.000 0.856 478 R HN 0.451 nan 8.270 nan 0.000 0.436 479 D N -0.061 120.296 120.400 -0.073 0.000 2.117 479 D HA -0.125 4.514 4.640 -0.000 0.000 0.197 479 D C 1.937 178.024 176.300 -0.354 0.000 0.987 479 D CA 1.087 55.026 54.000 -0.102 0.000 0.829 479 D CB -0.130 40.700 40.800 0.049 0.000 0.961 479 D HN 0.097 nan 8.370 nan 0.000 0.460 480 V N 1.203 120.724 119.914 -0.655 0.000 2.358 480 V HA -0.218 3.901 4.120 -0.000 0.000 0.246 480 V C 2.194 177.907 176.094 -0.636 0.000 1.047 480 V CA 1.499 63.227 62.300 -0.952 0.000 1.035 480 V CB -0.518 30.721 31.823 -0.974 0.000 0.658 480 V HN 0.134 nan 8.190 nan 0.000 0.452 481 N N 0.269 118.738 118.700 -0.385 0.000 2.120 481 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 481 N C 1.670 177.123 175.510 -0.096 0.000 1.024 481 N CA 1.580 54.520 53.050 -0.184 0.000 0.852 481 N CB -0.269 38.188 38.487 -0.050 0.000 1.003 481 N HN 0.429 nan 8.380 nan 0.000 0.424 482 L N -0.342 120.820 121.223 -0.103 0.000 2.056 482 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 482 L C 2.369 179.220 176.870 -0.032 0.000 1.078 482 L CA 1.206 56.020 54.840 -0.043 0.000 0.749 482 L CB -0.598 41.447 42.059 -0.023 0.000 0.901 482 L HN 0.204 nan 8.230 nan 0.000 0.433 483 A N 0.075 122.839 122.820 -0.093 0.000 1.972 483 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 483 A C 2.491 180.109 177.584 0.056 0.000 1.169 483 A CA 1.790 53.815 52.037 -0.020 0.000 0.635 483 A CB -0.597 18.357 19.000 -0.076 0.000 0.810 483 A HN 0.529 nan 8.150 nan 0.000 0.446 484 S N -0.250 115.441 115.700 -0.015 0.000 2.453 484 S HA -0.122 4.348 4.470 -0.000 0.000 0.231 484 S C 1.496 176.177 174.600 0.135 0.000 1.005 484 S CA 1.193 59.482 58.200 0.149 0.000 0.949 484 S CB -0.295 63.017 63.200 0.187 0.000 0.774 484 S HN 0.699 nan 8.310 nan 0.000 0.510 485 E N 1.574 121.823 120.200 0.083 0.000 2.033 485 E HA 0.028 4.378 4.350 -0.000 0.000 0.189 485 E C 1.078 177.718 176.600 0.067 0.000 0.979 485 E CA 0.379 56.818 56.400 0.066 0.000 0.802 485 E CB -0.248 29.477 29.700 0.042 0.000 0.763 485 E HN 0.617 nan 8.360 nan 0.000 0.449 486 N N 0.000 118.741 118.700 0.069 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 486 N CA 0.000 53.092 53.050 0.069 0.000 0.885 486 N CB 0.000 38.531 38.487 0.073 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667