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_E 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 0.000 175.305 175.510 -0.342 0.000 1.280 5 N CA 0.000 52.470 53.050 -0.966 0.000 0.885 5 N CB 0.000 37.776 38.487 -1.184 0.000 1.341 6 P HA 0.002 nan 4.420 nan 0.000 0.225 6 P C 0.747 177.984 177.300 -0.106 0.000 1.148 6 P CA 0.802 63.849 63.100 -0.088 0.000 0.779 6 P CB 0.611 32.297 31.700 -0.022 0.000 0.780 7 L N -1.623 119.528 121.223 -0.121 0.000 2.693 7 L HA 0.291 4.631 4.340 -0.000 0.000 0.235 7 L C 2.425 179.187 176.870 -0.181 0.000 1.127 7 L CA 0.087 54.843 54.840 -0.138 0.000 0.914 7 L CB -0.508 41.532 42.059 -0.030 0.000 1.193 7 L HN -0.154 nan 8.230 nan 0.000 0.502 8 A N 1.243 123.974 122.820 -0.148 0.000 1.909 8 A HA -0.339 3.981 4.320 -0.000 0.000 0.221 8 A C 2.216 179.708 177.584 -0.153 0.000 1.223 8 A CA 2.538 54.502 52.037 -0.122 0.000 0.658 8 A CB -0.595 18.312 19.000 -0.154 0.000 0.831 8 A HN 0.589 nan 8.150 nan 0.000 0.462 9 E N -0.675 119.421 120.200 -0.173 0.000 2.169 9 E HA -0.274 4.076 4.350 -0.000 0.000 0.202 9 E C 1.732 178.185 176.600 -0.245 0.000 1.016 9 E CA 1.889 58.186 56.400 -0.172 0.000 0.817 9 E CB -0.445 29.169 29.700 -0.144 0.000 0.736 9 E HN 0.655 nan 8.360 nan 0.000 0.462 10 c N -0.288 118.056 118.600 -0.427 0.000 2.500 10 c HA 0.086 4.655 4.570 -0.000 0.000 0.273 10 c C 1.135 174.779 174.090 -0.744 0.000 1.428 10 c CA -0.149 55.803 56.329 -0.629 0.000 1.766 10 c CB -1.103 40.887 42.510 -0.866 0.000 1.817 10 c HN 0.342 nan 8.230 nan 0.000 0.543 11 F N 0.561 120.417 119.950 -0.157 0.000 2.855 11 F HA 0.246 4.773 4.527 -0.000 0.000 0.317 11 F C 0.777 176.471 175.800 -0.177 0.000 1.169 11 F CA -0.339 57.555 58.000 -0.177 0.000 1.299 11 F CB -0.153 38.729 39.000 -0.196 0.000 0.962 11 F HN 0.219 nan 8.300 nan 0.000 0.506 12 Q N 1.138 120.904 119.800 -0.056 0.000 2.235 12 Q HA 0.206 4.546 4.340 -0.000 0.000 0.250 12 Q C -0.018 175.939 176.000 -0.071 0.000 0.909 12 Q CA -0.764 54.979 55.803 -0.100 0.000 0.910 12 Q CB 1.575 30.257 28.738 -0.094 0.000 1.223 12 Q HN 0.163 nan 8.270 nan 0.000 0.432 13 E N 1.920 122.052 120.200 -0.113 0.000 2.384 13 E HA -0.014 4.336 4.350 -0.000 0.000 0.266 13 E C -0.413 176.263 176.600 0.127 0.000 1.012 13 E CA -0.071 56.342 56.400 0.021 0.000 0.901 13 E CB 0.468 30.238 29.700 0.115 0.000 0.967 13 E HN 0.422 nan 8.360 nan 0.000 0.435 14 N N 2.318 121.099 118.700 0.135 0.000 2.483 14 N HA -0.080 4.660 4.740 -0.000 0.000 0.264 14 N C -0.689 174.981 175.510 0.268 0.000 1.197 14 N CA 0.245 53.389 53.050 0.158 0.000 0.927 14 N CB 0.334 38.902 38.487 0.135 0.000 1.065 14 N HN 0.268 nan 8.380 nan 0.000 0.461 15 D N 1.485 122.003 120.400 0.197 0.000 2.751 15 D HA -0.271 4.369 4.640 -0.000 0.000 0.233 15 D C 0.258 176.713 176.300 0.259 0.000 1.149 15 D CA 0.482 54.576 54.000 0.155 0.000 0.682 15 D CB -1.463 39.382 40.800 0.074 0.000 1.068 15 D HN 0.581 nan 8.370 nan 0.000 0.429 16 Y N 0.822 121.210 120.300 0.147 0.000 2.114 16 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 16 Y C 2.156 178.115 175.900 0.099 0.000 1.165 16 Y CA 2.197 60.388 58.100 0.151 0.000 1.148 16 Y CB 0.179 38.681 38.460 0.068 0.000 0.972 16 Y HN 0.049 nan 8.280 nan 0.000 0.504 17 E N 0.247 120.498 120.200 0.086 0.000 2.049 17 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 17 E C 2.190 178.721 176.600 -0.114 0.000 1.007 17 E CA 1.688 58.071 56.400 -0.027 0.000 0.809 17 E CB -0.431 29.261 29.700 -0.013 0.000 0.749 17 E HN 0.638 nan 8.360 nan 0.000 0.450 18 E N -0.502 119.609 120.200 -0.148 0.000 2.065 18 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 18 E C 2.010 178.393 176.600 -0.362 0.000 1.016 18 E CA 1.275 57.495 56.400 -0.298 0.000 0.818 18 E CB -0.178 29.252 29.700 -0.450 0.000 0.749 18 E HN 0.211 nan 8.360 nan 0.000 0.453 19 F N -0.223 119.655 119.950 -0.120 0.000 2.367 19 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 19 F C 2.126 177.798 175.800 -0.213 0.000 1.094 19 F CA 0.005 57.922 58.000 -0.140 0.000 1.409 19 F CB -0.010 38.914 39.000 -0.126 0.000 1.064 19 F HN 0.128 nan 8.300 nan 0.000 0.528 20 L N 0.677 121.794 121.223 -0.176 0.000 2.093 20 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 20 L C 2.295 179.071 176.870 -0.157 0.000 1.085 20 L CA 1.774 56.471 54.840 -0.238 0.000 0.755 20 L CB -0.796 41.085 42.059 -0.297 0.000 0.904 20 L HN 0.054 nan 8.230 nan 0.000 0.435 21 E N 0.099 120.220 120.200 -0.132 0.000 2.077 21 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 21 E C 2.072 178.618 176.600 -0.089 0.000 0.989 21 E CA 1.867 58.201 56.400 -0.110 0.000 0.800 21 E CB -0.444 29.189 29.700 -0.110 0.000 0.746 21 E HN 0.617 nan 8.360 nan 0.000 0.452 22 I N 0.328 120.860 120.570 -0.063 0.000 2.315 22 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 22 I C 2.345 178.469 176.117 0.012 0.000 1.117 22 I CA 0.967 62.268 61.300 0.002 0.000 1.404 22 I CB -0.385 37.661 38.000 0.077 0.000 1.071 22 I HN 0.199 nan 8.210 nan 0.000 0.419 23 A N 0.886 123.675 122.820 -0.050 0.000 1.933 23 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 23 A C 2.393 179.748 177.584 -0.382 0.000 1.175 23 A CA 1.447 53.325 52.037 -0.265 0.000 0.628 23 A CB -0.455 18.323 19.000 -0.370 0.000 0.814 23 A HN 0.309 nan 8.150 nan 0.000 0.444 24 R N -0.585 119.768 120.500 -0.244 0.000 2.057 24 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 24 R C 0.777 177.001 176.300 -0.127 0.000 1.136 24 R CA 1.446 57.423 56.100 -0.205 0.000 0.952 24 R CB -0.150 30.059 30.300 -0.152 0.000 0.848 24 R HN 0.479 nan 8.270 nan 0.000 0.430 25 N N -0.446 118.205 118.700 -0.081 0.000 2.187 25 N HA 0.138 4.878 4.740 -0.000 0.000 0.212 25 N C 0.238 175.740 175.510 -0.014 0.000 1.152 25 N CA 0.743 53.766 53.050 -0.045 0.000 0.872 25 N CB 1.683 40.141 38.487 -0.048 0.000 1.025 25 N HN 0.301 nan 8.380 nan 0.000 0.514 26 G N 1.161 109.969 108.800 0.013 0.000 2.828 26 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.463 26 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.463 26 G C -0.487 174.431 174.900 0.029 0.000 1.394 26 G CA -0.699 44.432 45.100 0.052 0.000 0.862 26 G HN 0.130 nan 8.290 nan 0.000 0.540 27 L N -0.030 121.219 121.223 0.042 0.000 2.475 27 L HA 0.398 4.738 4.340 -0.000 0.000 0.253 27 L C 1.399 178.272 176.870 0.005 0.000 1.198 27 L CA -0.538 54.317 54.840 0.026 0.000 0.814 27 L CB 0.570 42.658 42.059 0.048 0.000 1.134 27 L HN 0.715 nan 8.230 nan 0.000 0.478 28 K N 1.527 121.925 120.400 -0.003 0.000 2.412 28 K HA 0.241 4.561 4.320 -0.000 0.000 0.284 28 K C -0.214 176.380 176.600 -0.010 0.000 1.046 28 K CA -0.452 55.828 56.287 -0.012 0.000 0.999 28 K CB 0.706 33.196 32.500 -0.016 0.000 0.941 28 K HN 0.632 nan 8.250 nan 0.000 0.474 29 A N 3.848 126.654 122.820 -0.025 0.000 2.587 29 A HA -0.034 4.285 4.320 -0.000 0.000 0.235 29 A C 0.349 177.899 177.584 -0.056 0.000 1.044 29 A CA 0.478 52.488 52.037 -0.045 0.000 0.754 29 A CB 0.150 19.122 19.000 -0.047 0.000 0.968 29 A HN 0.796 nan 8.150 nan 0.000 0.509 30 T N 0.751 115.238 114.554 -0.112 0.000 2.909 30 T HA 0.405 4.755 4.350 -0.000 0.000 0.289 30 T C 1.235 175.865 174.700 -0.117 0.000 1.005 30 T CA 0.106 62.124 62.100 -0.136 0.000 1.084 30 T CB 0.465 69.113 68.868 -0.366 0.000 0.975 30 T HN 1.162 nan 8.240 nan 0.000 0.509 31 S N 2.797 118.457 115.700 -0.067 0.000 2.559 31 S HA 0.227 4.697 4.470 -0.000 0.000 0.226 31 S C 0.447 175.026 174.600 -0.035 0.000 1.000 31 S CA -0.525 57.647 58.200 -0.047 0.000 0.948 31 S CB -0.104 63.082 63.200 -0.024 0.000 0.870 31 S HN 0.637 nan 8.310 nan 0.000 0.497 32 N N 2.231 120.910 118.700 -0.034 0.000 2.752 32 N HA 0.435 5.174 4.740 -0.000 0.000 0.260 32 N C -3.405 172.113 175.510 0.014 0.000 1.562 32 N CA -1.617 51.438 53.050 0.009 0.000 0.788 32 N CB 0.957 39.476 38.487 0.053 0.000 1.192 32 N HN -0.006 nan 8.380 nan 0.000 0.503 33 P HA 0.044 nan 4.420 nan 0.000 0.264 33 P C -0.610 176.788 177.300 0.164 0.000 1.183 33 P CA 0.431 63.486 63.100 -0.075 0.000 0.763 33 P CB 0.564 32.216 31.700 -0.079 0.000 0.807 34 K N 1.735 122.408 120.400 0.456 0.000 2.400 34 K HA 0.395 4.715 4.320 -0.000 0.000 0.246 34 K C -0.740 176.068 176.600 0.346 0.000 0.995 34 K CA -0.873 55.643 56.287 0.380 0.000 0.840 34 K CB 1.280 34.030 32.500 0.417 0.000 1.293 34 K HN 0.468 nan 8.250 nan 0.000 0.445 35 H N 0.845 119.995 119.070 0.133 0.000 2.594 35 H HA 0.439 4.994 4.556 -0.000 0.000 0.304 35 H C -1.260 174.112 175.328 0.074 0.000 1.068 35 H CA -0.632 55.463 56.048 0.079 0.000 1.308 35 H CB 0.295 30.081 29.762 0.039 0.000 1.409 35 H HN 0.121 nan 8.280 nan 0.000 0.460 36 V N 6.563 126.554 119.914 0.129 0.000 2.487 36 V HA 0.277 4.397 4.120 -0.000 0.000 0.298 36 V C -0.245 175.780 176.094 -0.116 0.000 1.028 36 V CA -0.930 61.351 62.300 -0.031 0.000 0.860 36 V CB 1.800 33.600 31.823 -0.038 0.000 0.991 36 V HN 0.547 nan 8.190 nan 0.000 0.427 37 V N 5.760 125.566 119.914 -0.180 0.000 2.481 37 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 37 V C -0.205 175.819 176.094 -0.117 0.000 1.042 37 V CA -0.464 61.731 62.300 -0.176 0.000 0.928 37 V CB 1.691 33.392 31.823 -0.203 0.000 0.986 37 V HN 0.575 nan 8.190 nan 0.000 0.462 38 I N 5.305 125.804 120.570 -0.119 0.000 2.389 38 I HA 0.348 4.518 4.170 -0.000 0.000 0.288 38 I C -0.151 175.899 176.117 -0.111 0.000 0.999 38 I CA -0.574 60.670 61.300 -0.094 0.000 1.129 38 I CB 1.711 39.666 38.000 -0.075 0.000 1.288 38 I HN 0.234 nan 8.210 nan 0.000 0.444 39 V N 5.380 125.246 119.914 -0.080 0.000 2.334 39 V HA 0.751 4.871 4.120 -0.000 0.000 0.267 39 V C 0.576 176.644 176.094 -0.042 0.000 1.040 39 V CA -0.293 61.963 62.300 -0.073 0.000 0.866 39 V CB 0.520 32.321 31.823 -0.036 0.000 1.019 39 V HN 1.065 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 0.275 4.235 3.960 -0.000 0.000 0.686 40 G HA3 0.275 4.235 3.960 -0.000 0.000 0.686 40 G C -0.212 174.658 174.900 -0.051 0.000 1.105 40 G CA -0.358 44.711 45.100 -0.051 0.000 0.831 40 G HN 1.441 nan 8.290 nan 0.000 0.578 41 A N 1.834 124.620 122.820 -0.056 0.000 3.159 41 A HA 0.779 5.099 4.320 -0.000 0.000 0.301 41 A C 1.311 178.892 177.584 -0.006 0.000 1.271 41 A CA 1.045 53.060 52.037 -0.036 0.000 0.998 41 A CB -0.243 18.725 19.000 -0.053 0.000 1.101 41 A HN 2.081 nan 8.150 nan 0.000 0.610 42 G N -1.067 107.732 108.800 -0.001 0.000 2.525 42 G HA2 0.417 4.377 3.960 -0.000 0.000 0.287 42 G HA3 0.417 4.377 3.960 -0.000 0.000 0.287 42 G C 0.967 175.862 174.900 -0.009 0.000 1.350 42 G CA -0.496 44.608 45.100 0.006 0.000 1.039 42 G HN 0.118 nan 8.290 nan 0.000 0.513 43 M N 0.100 119.690 119.600 -0.016 0.000 2.159 43 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 43 M C 2.822 179.095 176.300 -0.044 0.000 1.063 43 M CA 1.473 56.750 55.300 -0.038 0.000 1.110 43 M CB -1.610 30.971 32.600 -0.032 0.000 1.374 43 M HN 0.589 nan 8.290 nan 0.000 0.411 44 A N 0.056 122.863 122.820 -0.021 0.000 1.873 44 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 44 A C 2.455 180.027 177.584 -0.020 0.000 1.186 44 A CA 1.947 53.971 52.037 -0.022 0.000 0.616 44 A CB -1.422 17.575 19.000 -0.005 0.000 0.823 44 A HN 0.484 nan 8.150 nan 0.000 0.442 45 G N -0.234 108.561 108.800 -0.010 0.000 2.404 45 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 45 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 45 G C 1.574 176.467 174.900 -0.010 0.000 1.174 45 G CA 0.996 46.088 45.100 -0.013 0.000 0.780 45 G HN 0.407 nan 8.290 nan 0.000 0.537 46 L N 0.804 122.020 121.223 -0.011 0.000 2.042 46 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 46 L C 3.216 180.094 176.870 0.013 0.000 1.076 46 L CA 1.269 56.113 54.840 0.007 0.000 0.749 46 L CB -0.350 41.702 42.059 -0.013 0.000 0.893 46 L HN 0.187 nan 8.230 nan 0.000 0.432 47 S N -0.174 115.495 115.700 -0.052 0.000 2.355 47 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 47 S C 2.206 176.839 174.600 0.055 0.000 1.031 47 S CA 1.156 59.312 58.200 -0.072 0.000 0.993 47 S CB -0.307 62.812 63.200 -0.134 0.000 0.859 47 S HN 0.499 nan 8.310 nan 0.000 0.453 48 A N 1.746 124.580 122.820 0.024 0.000 1.877 48 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 48 A C 2.376 179.984 177.584 0.040 0.000 1.186 48 A CA 1.823 53.873 52.037 0.022 0.000 0.620 48 A CB -1.195 17.794 19.000 -0.018 0.000 0.822 48 A HN 0.520 nan 8.150 nan 0.000 0.443 49 A N -1.703 121.143 122.820 0.043 0.000 1.902 49 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 49 A C 2.142 179.782 177.584 0.093 0.000 1.181 49 A CA 1.686 53.752 52.037 0.048 0.000 0.623 49 A CB -0.830 18.192 19.000 0.037 0.000 0.818 49 A HN 0.715 nan 8.150 nan 0.000 0.443 50 Y N 1.066 121.380 120.300 0.023 0.000 2.097 50 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 50 Y C 2.534 178.488 175.900 0.089 0.000 1.152 50 Y CA 2.628 60.767 58.100 0.064 0.000 1.136 50 Y CB -0.272 38.233 38.460 0.075 0.000 0.975 50 Y HN 0.207 nan 8.280 nan 0.000 0.498 51 V N -1.713 118.334 119.914 0.222 0.000 2.548 51 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 51 V C 2.097 178.225 176.094 0.058 0.000 1.055 51 V CA 1.728 64.112 62.300 0.141 0.000 1.065 51 V CB -0.984 30.965 31.823 0.210 0.000 0.681 51 V HN 0.450 nan 8.190 nan 0.000 0.462 52 L N 0.608 121.863 121.223 0.053 0.000 2.109 52 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 52 L C 3.000 179.928 176.870 0.096 0.000 1.086 52 L CA 1.470 56.354 54.840 0.072 0.000 0.760 52 L CB -0.752 41.301 42.059 -0.009 0.000 0.910 52 L HN 0.420 nan 8.230 nan 0.000 0.437 53 A N 0.232 123.061 122.820 0.015 0.000 1.898 53 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 53 A C 2.376 179.920 177.584 -0.068 0.000 1.181 53 A CA 1.600 53.624 52.037 -0.021 0.000 0.620 53 A CB -1.202 17.759 19.000 -0.065 0.000 0.819 53 A HN 0.422 nan 8.150 nan 0.000 0.442 54 G N -0.650 108.070 108.800 -0.134 0.000 2.448 54 G HA2 0.061 4.021 3.960 -0.000 0.000 0.219 54 G HA3 0.061 4.021 3.960 -0.000 0.000 0.219 54 G C 1.514 176.376 174.900 -0.064 0.000 1.127 54 G CA 1.153 46.171 45.100 -0.138 0.000 0.766 54 G HN 0.812 nan 8.290 nan 0.000 0.552 55 A N -0.513 122.298 122.820 -0.015 0.000 2.167 55 A HA 0.449 4.769 4.320 -0.000 0.000 0.214 55 A C 2.017 179.543 177.584 -0.097 0.000 1.151 55 A CA 1.472 53.503 52.037 -0.009 0.000 0.735 55 A CB -0.325 18.730 19.000 0.092 0.000 0.802 55 A HN 1.557 nan 8.150 nan 0.000 0.467 56 G N -2.065 106.680 108.800 -0.093 0.000 2.184 56 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.206 56 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.206 56 G C 0.031 174.825 174.900 -0.178 0.000 0.995 56 G CA 0.191 45.203 45.100 -0.147 0.000 0.651 56 G HN 0.700 nan 8.290 nan 0.000 0.511 57 H N 0.201 119.263 119.070 -0.013 0.000 2.546 57 H HA 0.560 5.115 4.556 -0.000 0.000 0.365 57 H C 0.594 175.931 175.328 0.014 0.000 1.220 57 H CA 0.288 56.342 56.048 0.010 0.000 1.386 57 H CB 0.759 30.531 29.762 0.017 0.000 1.510 57 H HN 0.253 nan 8.280 nan 0.000 0.591 58 Q N 2.375 122.287 119.800 0.187 0.000 2.349 58 Q HA 0.341 4.681 4.340 -0.000 0.000 0.254 58 Q C -1.155 174.966 176.000 0.202 0.000 0.980 58 Q CA -0.795 55.072 55.803 0.106 0.000 0.924 58 Q CB 0.482 29.215 28.738 -0.008 0.000 1.209 58 Q HN 0.524 nan 8.270 nan 0.000 0.445 59 V N 1.571 121.563 119.914 0.129 0.000 2.581 59 V HA 0.743 4.862 4.120 -0.000 0.000 0.303 59 V C -0.606 175.541 176.094 0.088 0.000 1.041 59 V CA -0.396 61.972 62.300 0.115 0.000 0.907 59 V CB 2.024 33.877 31.823 0.050 0.000 0.994 59 V HN 0.682 nan 8.190 nan 0.000 0.442 60 T N 4.213 118.795 114.554 0.048 0.000 2.864 60 T HA 0.551 4.901 4.350 -0.000 0.000 0.299 60 T C -0.533 174.054 174.700 -0.188 0.000 1.011 60 T CA -0.320 61.734 62.100 -0.075 0.000 0.975 60 T CB 1.270 70.113 68.868 -0.042 0.000 0.962 60 T HN 0.737 nan 8.240 nan 0.000 0.448 61 V N 5.393 125.174 119.914 -0.220 0.000 2.370 61 V HA 0.463 4.583 4.120 -0.000 0.000 0.279 61 V C -0.185 175.698 176.094 -0.351 0.000 1.029 61 V CA -0.780 61.386 62.300 -0.224 0.000 0.870 61 V CB 1.120 32.857 31.823 -0.144 0.000 0.984 61 V HN 0.732 nan 8.190 nan 0.000 0.451 62 L N 4.474 125.491 121.223 -0.343 0.000 2.294 62 L HA 0.618 4.958 4.340 -0.000 0.000 0.283 62 L C -0.257 176.446 176.870 -0.277 0.000 1.015 62 L CA -0.411 54.186 54.840 -0.404 0.000 0.831 62 L CB 1.557 43.322 42.059 -0.489 0.000 1.217 62 L HN 0.603 nan 8.230 nan 0.000 0.420 63 E N 2.276 122.315 120.200 -0.269 0.000 2.158 63 E HA 0.501 4.851 4.350 -0.000 0.000 0.271 63 E C 0.350 176.863 176.600 -0.146 0.000 0.911 63 E CA -0.315 55.973 56.400 -0.187 0.000 0.767 63 E CB 2.063 31.665 29.700 -0.163 0.000 1.120 63 E HN 0.559 nan 8.360 nan 0.000 0.405 64 A N 3.648 126.327 122.820 -0.235 0.000 1.902 64 A HA -0.029 4.290 4.320 -0.000 0.000 0.217 64 A C 1.277 178.663 177.584 -0.330 0.000 1.181 64 A CA 1.493 53.348 52.037 -0.303 0.000 0.623 64 A CB -0.740 17.957 19.000 -0.505 0.000 0.818 64 A HN 0.700 nan 8.150 nan 0.000 0.443 65 S N -0.206 115.227 115.700 -0.445 0.000 2.652 65 S HA 0.248 4.718 4.470 -0.000 0.000 0.267 65 S C 0.810 175.422 174.600 0.019 0.000 1.201 65 S CA 0.271 58.368 58.200 -0.171 0.000 0.996 65 S CB 0.497 63.623 63.200 -0.122 0.000 1.054 65 S HN 0.485 nan 8.310 nan 0.000 0.561 66 E N 0.225 120.404 120.200 -0.035 0.000 2.479 66 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 66 E C 0.438 176.663 176.600 -0.625 0.000 1.049 66 E CA -0.176 56.117 56.400 -0.178 0.000 0.870 66 E CB -0.250 29.369 29.700 -0.134 0.000 0.944 66 E HN 0.757 nan 8.360 nan 0.000 0.492 67 R N -0.011 120.201 120.500 -0.480 0.000 2.799 67 R HA 0.626 4.965 4.340 -0.000 0.000 0.270 67 R C -3.070 173.110 176.300 -0.201 0.000 1.010 67 R CA -1.897 53.817 56.100 -0.643 0.000 0.916 67 R CB 1.431 31.526 30.300 -0.342 0.000 1.228 67 R HN -0.212 nan 8.270 nan 0.000 0.469 68 P HA 0.292 nan 4.420 nan 0.000 0.287 68 P C 0.042 177.330 177.300 -0.021 0.000 1.270 68 P CA 0.229 63.338 63.100 0.015 0.000 0.844 68 P CB 1.878 33.537 31.700 -0.069 0.000 1.068 69 G N 0.287 109.092 108.800 0.008 0.000 2.428 69 G HA2 0.006 3.966 3.960 -0.000 0.000 0.199 69 G HA3 0.006 3.966 3.960 -0.000 0.000 0.199 69 G C 0.688 175.603 174.900 0.026 0.000 1.005 69 G CA 0.415 45.519 45.100 0.007 0.000 0.671 69 G HN 0.901 nan 8.290 nan 0.000 0.485 70 G N 0.588 109.419 108.800 0.050 0.000 2.629 70 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.313 70 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.313 70 G C 0.976 175.948 174.900 0.121 0.000 1.217 70 G CA 1.484 46.634 45.100 0.083 0.000 0.994 70 G HN 1.083 nan 8.290 nan 0.000 0.549 71 R N -0.191 120.305 120.500 -0.006 0.000 2.280 71 R HA 0.222 4.562 4.340 -0.000 0.000 0.207 71 R C 0.812 177.011 176.300 -0.168 0.000 1.043 71 R CA 0.580 56.522 56.100 -0.264 0.000 1.006 71 R CB -0.019 29.949 30.300 -0.553 0.000 0.885 71 R HN 0.241 nan 8.270 nan 0.000 0.467 72 V N 2.309 122.199 119.914 -0.040 0.000 2.356 72 V HA 0.167 4.287 4.120 -0.000 0.000 0.258 72 V C 0.093 176.232 176.094 0.075 0.000 1.065 72 V CA -0.004 62.295 62.300 -0.001 0.000 0.935 72 V CB 0.409 32.227 31.823 -0.009 0.000 1.061 72 V HN 0.156 nan 8.190 nan 0.000 0.484 73 R N 3.092 123.684 120.500 0.154 0.000 2.621 73 R HA 0.652 4.991 4.340 -0.000 0.000 0.284 73 R C -1.112 175.273 176.300 0.142 0.000 0.998 73 R CA -0.401 55.802 56.100 0.171 0.000 0.895 73 R CB 2.226 32.709 30.300 0.304 0.000 1.195 73 R HN 0.591 nan 8.270 nan 0.000 0.450 74 T N 3.315 117.911 114.554 0.070 0.000 2.841 74 T HA 0.202 4.552 4.350 -0.000 0.000 0.285 74 T C -1.444 173.286 174.700 0.050 0.000 0.991 74 T CA -0.415 61.725 62.100 0.068 0.000 0.966 74 T CB 0.728 69.579 68.868 -0.028 0.000 0.962 74 T HN 0.441 nan 8.240 nan 0.000 0.438 75 Y N 3.780 124.052 120.300 -0.047 0.000 2.316 75 Y HA 0.534 5.084 4.550 -0.000 0.000 0.331 75 Y C 0.337 176.146 175.900 -0.152 0.000 1.083 75 Y CA -0.404 57.628 58.100 -0.112 0.000 1.206 75 Y CB 0.528 38.901 38.460 -0.146 0.000 1.195 75 Y HN 0.467 nan 8.280 nan 0.000 0.497 76 R N 4.569 124.633 120.500 -0.727 0.000 2.750 76 R HA 0.272 4.612 4.340 -0.000 0.000 0.281 76 R C -1.346 174.422 176.300 -0.887 0.000 0.972 76 R CA -1.024 54.698 56.100 -0.630 0.000 0.912 76 R CB 1.796 31.876 30.300 -0.367 0.000 1.187 76 R HN 0.798 nan 8.270 nan 0.000 0.464 77 N N 1.150 119.323 118.700 -0.878 0.000 2.762 77 N HA 0.054 4.794 4.740 -0.000 0.000 0.252 77 N C -0.089 175.115 175.510 -0.511 0.000 1.269 77 N CA -0.043 52.560 53.050 -0.746 0.000 0.799 77 N CB 0.903 38.774 38.487 -1.025 0.000 1.173 77 N HN 0.477 nan 8.380 nan 0.000 0.516 78 E N 0.977 120.979 120.200 -0.330 0.000 2.065 78 E HA -0.259 4.091 4.350 -0.000 0.000 0.201 78 E C 0.971 177.489 176.600 -0.137 0.000 1.016 78 E CA 1.799 58.079 56.400 -0.200 0.000 0.818 78 E CB 0.176 29.787 29.700 -0.147 0.000 0.749 78 E HN 0.634 nan 8.360 nan 0.000 0.453 79 E N -0.344 119.787 120.200 -0.116 0.000 2.110 79 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 79 E C 1.844 178.438 176.600 -0.009 0.000 0.988 79 E CA 0.977 57.348 56.400 -0.049 0.000 0.804 79 E CB -0.126 29.553 29.700 -0.035 0.000 0.745 79 E HN 0.278 nan 8.360 nan 0.000 0.458 80 A N 0.529 123.336 122.820 -0.022 0.000 2.169 80 A HA 0.221 4.540 4.320 -0.000 0.000 0.212 80 A C 1.702 179.375 177.584 0.148 0.000 1.153 80 A CA 0.733 52.849 52.037 0.132 0.000 0.756 80 A CB -0.347 18.848 19.000 0.324 0.000 0.813 80 A HN 0.313 nan 8.150 nan 0.000 0.471 81 G N -1.261 107.514 108.800 -0.042 0.000 2.225 81 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 81 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 81 G C -0.095 174.682 174.900 -0.205 0.000 1.060 81 G CA 0.467 45.541 45.100 -0.043 0.000 0.833 81 G HN 1.375 nan 8.290 nan 0.000 0.498 82 W N -1.656 119.354 121.300 -0.484 0.000 3.025 82 W HA 0.736 5.396 4.660 -0.000 0.000 0.343 82 W C -0.737 175.518 176.519 -0.440 0.000 1.246 82 W CA -1.585 55.090 57.345 -1.116 0.000 1.178 82 W CB 0.641 29.485 29.460 -1.026 0.000 1.463 82 W HN 0.564 nan 8.180 nan 0.000 0.578 83 Y N -0.272 120.013 120.300 -0.024 0.000 2.644 83 Y HA 0.877 5.427 4.550 -0.000 0.000 0.338 83 Y C -1.563 174.670 175.900 0.555 0.000 1.119 83 Y CA -1.870 56.325 58.100 0.158 0.000 1.060 83 Y CB 1.235 39.750 38.460 0.092 0.000 1.294 83 Y HN 0.841 nan 8.280 nan 0.000 0.472 84 A N 2.178 125.377 122.820 0.631 0.000 2.437 84 A HA 0.506 4.826 4.320 -0.000 0.000 0.293 84 A C -1.802 175.957 177.584 0.291 0.000 1.038 84 A CA -1.030 51.233 52.037 0.376 0.000 0.708 84 A CB 0.876 19.827 19.000 -0.081 0.000 1.251 84 A HN 0.714 nan 8.150 nan 0.000 0.409 85 N N 2.799 121.739 118.700 0.399 0.000 2.401 85 N HA 0.215 4.954 4.740 -0.000 0.000 0.255 85 N C 1.035 176.708 175.510 0.271 0.000 1.110 85 N CA -0.134 53.096 53.050 0.299 0.000 0.949 85 N CB 1.208 39.881 38.487 0.310 0.000 1.110 85 N HN 0.663 nan 8.380 nan 0.000 0.490 86 L N 0.627 121.981 121.223 0.218 0.000 2.179 86 L HA 0.059 4.399 4.340 -0.000 0.000 0.208 86 L C 1.743 178.979 176.870 0.610 0.000 1.096 86 L CA 0.804 55.852 54.840 0.347 0.000 0.779 86 L CB -0.158 42.031 42.059 0.217 0.000 0.922 86 L HN 0.497 nan 8.230 nan 0.000 0.443 87 G N -0.607 108.447 108.800 0.424 0.000 3.110 87 G HA2 0.269 4.229 3.960 -0.000 0.000 0.207 87 G HA3 0.269 4.229 3.960 -0.000 0.000 0.207 87 G C -2.347 172.513 174.900 -0.067 0.000 1.841 87 G CA -0.263 44.907 45.100 0.116 0.000 0.751 87 G HN -0.004 nan 8.290 nan 0.000 0.771 88 P HA 0.144 nan 4.420 nan 0.000 0.266 88 P C 0.373 177.631 177.300 -0.070 0.000 1.193 88 P CA 0.957 63.982 63.100 -0.125 0.000 0.770 88 P CB 0.599 32.253 31.700 -0.077 0.000 0.836 89 M N 1.207 120.722 119.600 -0.142 0.000 2.109 89 M HA 0.257 4.737 4.480 -0.000 0.000 0.372 89 M C -0.152 175.970 176.300 -0.296 0.000 0.840 89 M CA -0.076 55.148 55.300 -0.127 0.000 1.128 89 M CB 0.923 33.429 32.600 -0.158 0.000 2.136 89 M HN 0.106 nan 8.290 nan 0.000 0.723 90 R N 1.107 121.422 120.500 -0.309 0.000 2.668 90 R HA 0.823 5.163 4.340 -0.000 0.000 0.272 90 R C -1.935 174.456 176.300 0.152 0.000 1.019 90 R CA -0.857 55.094 56.100 -0.248 0.000 0.894 90 R CB 1.845 31.702 30.300 -0.739 0.000 1.228 90 R HN 0.236 nan 8.270 nan 0.000 0.460 91 L N 1.655 122.991 121.223 0.188 0.000 2.376 91 L HA 0.508 4.848 4.340 -0.000 0.000 0.275 91 L C -2.510 174.255 176.870 -0.175 0.000 0.987 91 L CA -2.537 52.385 54.840 0.137 0.000 0.828 91 L CB 2.545 44.678 42.059 0.123 0.000 1.249 91 L HN 0.393 nan 8.230 nan 0.000 0.409 92 P HA 0.021 nan 4.420 nan 0.000 0.268 92 P C 0.435 177.343 177.300 -0.655 0.000 1.205 92 P CA -0.121 62.260 63.100 -1.198 0.000 0.771 92 P CB 0.869 31.634 31.700 -1.559 0.000 0.858 93 E N 3.309 123.177 120.200 -0.554 0.000 2.160 93 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 93 E C 1.562 178.036 176.600 -0.209 0.000 0.991 93 E CA 1.226 57.460 56.400 -0.276 0.000 0.810 93 E CB -0.058 29.512 29.700 -0.217 0.000 0.742 93 E HN 0.315 nan 8.360 nan 0.000 0.466 94 K N 0.026 120.248 120.400 -0.297 0.000 2.360 94 K HA -0.118 4.202 4.320 -0.000 0.000 0.201 94 K C -0.044 176.556 176.600 0.000 0.000 1.046 94 K CA 0.679 56.860 56.287 -0.175 0.000 0.945 94 K CB -0.123 32.228 32.500 -0.248 0.000 0.750 94 K HN 0.299 nan 8.250 nan 0.000 0.464 95 H N 1.026 120.007 119.070 -0.147 0.000 3.014 95 H HA 0.138 4.694 4.556 -0.000 0.000 0.266 95 H C 0.542 175.907 175.328 0.062 0.000 1.455 95 H CA -0.879 55.152 56.048 -0.028 0.000 1.402 95 H CB 0.691 30.418 29.762 -0.058 0.000 1.626 95 H HN 0.074 nan 8.280 nan 0.000 0.520 96 R N 2.196 122.855 120.500 0.266 0.000 2.153 96 R HA -0.039 4.301 4.340 -0.000 0.000 0.218 96 R C 1.779 178.116 176.300 0.063 0.000 1.072 96 R CA 0.468 56.656 56.100 0.148 0.000 0.990 96 R CB 0.047 30.436 30.300 0.148 0.000 0.889 96 R HN 0.614 nan 8.270 nan 0.000 0.452 97 I N 0.049 120.663 120.570 0.074 0.000 2.163 97 I HA -0.231 3.938 4.170 -0.000 0.000 0.240 97 I C 2.495 178.680 176.117 0.114 0.000 1.081 97 I CA 1.059 62.360 61.300 0.002 0.000 1.353 97 I CB -0.401 37.593 38.000 -0.011 0.000 1.054 97 I HN -0.060 nan 8.210 nan 0.000 0.407 98 V N 1.257 121.268 119.914 0.161 0.000 2.407 98 V HA -0.277 3.842 4.120 -0.000 0.000 0.248 98 V C 2.588 178.776 176.094 0.156 0.000 1.055 98 V CA 1.903 64.322 62.300 0.197 0.000 1.049 98 V CB -0.477 31.453 31.823 0.178 0.000 0.662 98 V HN 0.346 nan 8.190 nan 0.000 0.455 99 R N -0.260 120.301 120.500 0.102 0.000 2.115 99 R HA -0.173 4.167 4.340 -0.000 0.000 0.230 99 R C 2.255 178.551 176.300 -0.007 0.000 1.111 99 R CA 1.609 57.742 56.100 0.055 0.000 0.976 99 R CB -0.289 30.035 30.300 0.039 0.000 0.870 99 R HN 0.651 nan 8.270 nan 0.000 0.445 100 E N 0.208 120.365 120.200 -0.070 0.000 2.077 100 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 100 E C 1.383 177.802 176.600 -0.303 0.000 0.989 100 E CA 1.570 57.845 56.400 -0.209 0.000 0.800 100 E CB -0.288 29.224 29.700 -0.314 0.000 0.746 100 E HN 0.417 nan 8.360 nan 0.000 0.452 101 Y N 0.055 120.259 120.300 -0.160 0.000 2.242 101 Y HA -0.046 4.504 4.550 -0.000 0.000 0.291 101 Y C 2.241 178.019 175.900 -0.203 0.000 1.137 101 Y CA 1.162 59.080 58.100 -0.303 0.000 1.181 101 Y CB -0.070 38.315 38.460 -0.126 0.000 0.989 101 Y HN 0.057 nan 8.280 nan 0.000 0.527 102 I N -0.149 120.495 120.570 0.124 0.000 2.208 102 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 102 I C 2.716 178.870 176.117 0.061 0.000 1.097 102 I CA 1.476 62.861 61.300 0.142 0.000 1.363 102 I CB -0.340 37.727 38.000 0.111 0.000 1.051 102 I HN 0.173 nan 8.210 nan 0.000 0.413 103 R N 1.530 122.017 120.500 -0.021 0.000 2.075 103 R HA -0.204 4.136 4.340 -0.000 0.000 0.232 103 R C 2.327 178.570 176.300 -0.095 0.000 1.126 103 R CA 1.566 57.639 56.100 -0.044 0.000 0.963 103 R CB -0.214 30.047 30.300 -0.066 0.000 0.858 103 R HN 0.220 nan 8.270 nan 0.000 0.435 104 K N -0.224 120.033 120.400 -0.238 0.000 2.103 104 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 104 K C 0.918 177.357 176.600 -0.269 0.000 1.048 104 K CA 1.400 57.477 56.287 -0.350 0.000 0.930 104 K CB -0.057 32.058 32.500 -0.641 0.000 0.716 104 K HN 0.156 nan 8.250 nan 0.000 0.444 105 F N 1.724 121.698 119.950 0.040 0.000 2.664 105 F HA 0.110 4.637 4.527 -0.000 0.000 0.301 105 F C -0.130 175.687 175.800 0.028 0.000 1.126 105 F CA -0.300 57.723 58.000 0.038 0.000 1.373 105 F CB -0.014 39.005 39.000 0.031 0.000 1.042 105 F HN 0.057 nan 8.300 nan 0.000 0.535 106 D N 0.964 121.446 120.400 0.136 0.000 2.751 106 D HA -0.215 4.425 4.640 -0.000 0.000 0.233 106 D C -0.076 176.282 176.300 0.097 0.000 1.149 106 D CA 0.625 54.681 54.000 0.093 0.000 0.682 106 D CB -1.339 39.513 40.800 0.086 0.000 1.068 106 D HN 0.267 nan 8.370 nan 0.000 0.429 107 L N -0.274 121.016 121.223 0.111 0.000 2.375 107 L HA 0.479 4.819 4.340 -0.000 0.000 0.268 107 L C 1.130 178.042 176.870 0.070 0.000 1.058 107 L CA -0.792 54.104 54.840 0.093 0.000 0.803 107 L CB 0.935 43.063 42.059 0.115 0.000 1.212 107 L HN -0.234 nan 8.230 nan 0.000 0.451 108 R N 1.949 122.485 120.500 0.061 0.000 2.668 108 R HA 0.695 5.035 4.340 -0.000 0.000 0.279 108 R C -0.847 175.492 176.300 0.065 0.000 0.976 108 R CA -0.799 55.336 56.100 0.058 0.000 0.978 108 R CB 1.360 31.693 30.300 0.054 0.000 1.133 108 R HN 0.477 nan 8.270 nan 0.000 0.484 109 L N 1.198 122.461 121.223 0.067 0.000 2.334 109 L HA 0.480 4.820 4.340 -0.000 0.000 0.273 109 L C -0.206 176.720 176.870 0.092 0.000 1.013 109 L CA -0.950 53.940 54.840 0.083 0.000 0.816 109 L CB 1.793 43.897 42.059 0.075 0.000 1.278 109 L HN 0.550 nan 8.230 nan 0.000 0.431 110 N N 0.671 119.445 118.700 0.123 0.000 2.310 110 N HA 0.145 4.885 4.740 -0.000 0.000 0.292 110 N C -0.950 174.663 175.510 0.172 0.000 1.049 110 N CA -0.636 52.494 53.050 0.134 0.000 0.849 110 N CB 1.914 40.490 38.487 0.149 0.000 1.532 110 N HN 0.573 nan 8.380 nan 0.000 0.479 111 E N 2.833 123.120 120.200 0.145 0.000 2.465 111 E HA 0.005 4.355 4.350 -0.000 0.000 0.260 111 E C -1.145 175.589 176.600 0.223 0.000 0.980 111 E CA 0.092 56.596 56.400 0.173 0.000 0.927 111 E CB 0.345 30.115 29.700 0.117 0.000 0.934 111 E HN 0.466 nan 8.360 nan 0.000 0.459 112 F N 4.499 124.535 119.950 0.143 0.000 2.361 112 F HA 0.232 4.758 4.527 -0.000 0.000 0.364 112 F C -0.122 175.746 175.800 0.113 0.000 1.117 112 F CA -0.613 57.471 58.000 0.141 0.000 1.071 112 F CB 1.247 40.343 39.000 0.160 0.000 1.188 112 F HN 0.351 nan 8.300 nan 0.000 0.464 113 S N 4.746 120.366 115.700 -0.134 0.000 2.510 113 S HA 0.078 4.548 4.470 -0.000 0.000 0.279 113 S C 0.948 175.554 174.600 0.009 0.000 1.284 113 S CA -0.530 57.649 58.200 -0.035 0.000 1.059 113 S CB 0.833 63.984 63.200 -0.081 0.000 0.901 113 S HN 0.816 nan 8.310 nan 0.000 0.491 114 Q N 2.410 122.259 119.800 0.082 0.000 2.311 114 Q HA 0.093 4.433 4.340 -0.000 0.000 0.203 114 Q C 0.295 176.316 176.000 0.035 0.000 0.954 114 Q CA 0.888 56.725 55.803 0.056 0.000 0.885 114 Q CB 0.045 28.751 28.738 -0.052 0.000 0.963 114 Q HN 0.964 nan 8.270 nan 0.000 0.471 115 E N -1.044 119.160 120.200 0.006 0.000 2.407 115 E HA 0.485 4.835 4.350 -0.000 0.000 0.279 115 E C -1.444 175.133 176.600 -0.039 0.000 1.012 115 E CA -0.825 55.562 56.400 -0.022 0.000 0.800 115 E CB 1.041 30.737 29.700 -0.007 0.000 1.276 115 E HN -0.050 nan 8.360 nan 0.000 0.452 116 N N 0.471 119.129 118.700 -0.071 0.000 2.500 116 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 116 N C -0.617 174.818 175.510 -0.124 0.000 1.092 116 N CA -0.480 52.517 53.050 -0.089 0.000 0.890 116 N CB 1.345 39.764 38.487 -0.114 0.000 1.466 116 N HN 0.519 nan 8.380 nan 0.000 0.507 117 D N 1.905 122.246 120.400 -0.099 0.000 2.265 117 D HA -0.122 4.517 4.640 -0.000 0.000 0.208 117 D C 0.449 176.626 176.300 -0.205 0.000 0.977 117 D CA 1.326 55.260 54.000 -0.110 0.000 0.871 117 D CB 0.071 40.828 40.800 -0.071 0.000 0.925 117 D HN 0.618 nan 8.370 nan 0.000 0.485 118 N N -0.077 118.477 118.700 -0.244 0.000 2.412 118 N HA 0.109 4.848 4.740 -0.000 0.000 0.184 118 N C 0.657 175.802 175.510 -0.609 0.000 1.101 118 N CA 0.006 52.831 53.050 -0.375 0.000 0.881 118 N CB 0.405 38.735 38.487 -0.262 0.000 0.969 118 N HN 0.053 nan 8.380 nan 0.000 0.459 119 A N 0.281 122.811 122.820 -0.484 0.000 2.262 119 A HA 0.422 4.741 4.320 -0.000 0.000 0.273 119 A C -0.722 176.492 177.584 -0.617 0.000 1.202 119 A CA -0.067 51.679 52.037 -0.485 0.000 0.811 119 A CB 0.208 19.076 19.000 -0.220 0.000 1.159 119 A HN 0.263 nan 8.150 nan 0.000 0.505 120 W N -2.818 118.404 121.300 -0.129 0.000 2.799 120 W HA 0.618 5.277 4.660 -0.000 0.000 0.349 120 W C -1.249 175.178 176.519 -0.152 0.000 1.100 120 W CA -0.178 57.110 57.345 -0.095 0.000 1.174 120 W CB 1.146 30.551 29.460 -0.092 0.000 1.427 120 W HN 0.525 nan 8.180 nan 0.000 0.547 121 Y N 1.465 121.969 120.300 0.341 0.000 2.350 121 Y HA 0.452 5.002 4.550 -0.000 0.000 0.338 121 Y C -0.893 175.160 175.900 0.255 0.000 0.961 121 Y CA -0.989 57.236 58.100 0.209 0.000 1.100 121 Y CB 1.434 39.977 38.460 0.139 0.000 1.179 121 Y HN 0.228 nan 8.280 nan 0.000 0.454 122 F N 6.127 126.183 119.950 0.177 0.000 2.676 122 F HA 0.559 5.086 4.527 -0.000 0.000 0.371 122 F C -1.750 174.074 175.800 0.040 0.000 1.141 122 F CA -0.856 57.184 58.000 0.065 0.000 1.133 122 F CB 0.259 39.248 39.000 -0.018 0.000 1.376 122 F HN 0.224 nan 8.300 nan 0.000 0.491 123 I N 5.276 125.707 120.570 -0.232 0.000 2.465 123 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 123 I C 0.181 176.091 176.117 -0.344 0.000 1.014 123 I CA -0.935 60.248 61.300 -0.195 0.000 1.093 123 I CB 1.873 39.847 38.000 -0.043 0.000 1.267 123 I HN 0.493 nan 8.210 nan 0.000 0.431 124 K N 4.507 124.727 120.400 -0.300 0.000 3.071 124 K HA -0.263 4.057 4.320 -0.000 0.000 0.262 124 K C 0.137 176.524 176.600 -0.356 0.000 0.977 124 K CA 0.912 57.030 56.287 -0.282 0.000 0.721 124 K CB -1.226 31.112 32.500 -0.270 0.000 1.293 124 K HN 0.845 nan 8.250 nan 0.000 0.475 125 N N -1.337 117.017 118.700 -0.576 0.000 2.753 125 N HA -0.215 4.525 4.740 -0.000 0.000 0.251 125 N C -0.515 174.631 175.510 -0.606 0.000 1.097 125 N CA 1.163 53.815 53.050 -0.664 0.000 0.786 125 N CB -0.695 37.649 38.487 -0.238 0.000 1.137 125 N HN 0.399 nan 8.380 nan 0.000 0.566 126 I N 0.748 120.956 120.570 -0.602 0.000 2.336 126 I HA 0.247 4.416 4.170 -0.000 0.000 0.292 126 I C 0.484 176.451 176.117 -0.250 0.000 0.991 126 I CA -0.538 60.574 61.300 -0.313 0.000 1.227 126 I CB 1.546 39.422 38.000 -0.205 0.000 1.366 126 I HN 0.071 nan 8.210 nan 0.000 0.466 127 R N 6.685 127.176 120.500 -0.016 0.000 2.310 127 R HA 0.478 4.818 4.340 -0.000 0.000 0.324 127 R C -1.227 175.237 176.300 0.274 0.000 0.955 127 R CA -0.608 55.618 56.100 0.209 0.000 0.830 127 R CB 0.776 31.215 30.300 0.232 0.000 1.154 127 R HN 0.467 nan 8.270 nan 0.000 0.458 128 K N 3.051 123.693 120.400 0.403 0.000 2.508 128 K HA 0.340 4.660 4.320 -0.000 0.000 0.260 128 K C -0.892 175.977 176.600 0.448 0.000 0.949 128 K CA -1.052 55.465 56.287 0.383 0.000 0.834 128 K CB 1.871 34.497 32.500 0.210 0.000 1.365 128 K HN 0.400 nan 8.250 nan 0.000 0.437 129 K N 1.186 121.704 120.400 0.196 0.000 2.295 129 K HA 0.099 4.419 4.320 -0.000 0.000 0.270 129 K C 1.311 177.951 176.600 0.068 0.000 1.011 129 K CA -0.048 56.160 56.287 -0.132 0.000 0.953 129 K CB 0.911 33.257 32.500 -0.257 0.000 0.956 129 K HN 0.264 nan 8.250 nan 0.000 0.477 130 V N 2.447 122.350 119.914 -0.019 0.000 2.392 130 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 130 V C 2.243 178.412 176.094 0.126 0.000 1.059 130 V CA 2.469 64.851 62.300 0.136 0.000 1.051 130 V CB -0.707 31.063 31.823 -0.089 0.000 0.658 130 V HN 1.027 nan 8.190 nan 0.000 0.455 131 G N -0.551 108.250 108.800 0.001 0.000 2.418 131 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 131 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 131 G C 1.434 176.349 174.900 0.024 0.000 1.158 131 G CA 0.896 45.997 45.100 0.001 0.000 0.771 131 G HN 0.594 nan 8.290 nan 0.000 0.545 132 E N -0.026 120.191 120.200 0.029 0.000 2.051 132 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 132 E C 2.707 179.328 176.600 0.035 0.000 0.991 132 E CA 1.023 57.443 56.400 0.034 0.000 0.799 132 E CB -0.192 29.537 29.700 0.048 0.000 0.748 132 E HN 0.296 nan 8.360 nan 0.000 0.449 133 V N 1.698 121.645 119.914 0.054 0.000 2.490 133 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 133 V C 2.091 178.183 176.094 -0.003 0.000 1.061 133 V CA 1.675 63.961 62.300 -0.023 0.000 1.064 133 V CB -0.403 31.300 31.823 -0.201 0.000 0.670 133 V HN 0.191 nan 8.190 nan 0.000 0.461 134 K N 0.037 120.468 120.400 0.053 0.000 2.097 134 K HA -0.173 4.146 4.320 -0.000 0.000 0.206 134 K C 2.216 178.828 176.600 0.021 0.000 1.049 134 K CA 1.404 57.718 56.287 0.044 0.000 0.933 134 K CB -0.164 32.369 32.500 0.055 0.000 0.717 134 K HN 0.443 nan 8.250 nan 0.000 0.442 135 K N 0.018 120.428 120.400 0.018 0.000 2.167 135 K HA -0.069 4.251 4.320 -0.000 0.000 0.203 135 K C 0.310 176.914 176.600 0.007 0.000 1.052 135 K CA 0.824 57.118 56.287 0.012 0.000 0.956 135 K CB 0.200 32.707 32.500 0.011 0.000 0.735 135 K HN -0.006 nan 8.250 nan 0.000 0.451 136 D N -0.304 120.098 120.400 0.003 0.000 2.405 136 D HA 0.174 4.814 4.640 -0.000 0.000 0.264 136 D C -2.344 173.949 176.300 -0.013 0.000 1.240 136 D CA -2.323 51.677 54.000 -0.001 0.000 0.893 136 D CB 1.389 42.191 40.800 0.003 0.000 1.198 136 D HN -0.237 nan 8.370 nan 0.000 0.514 137 P HA -0.038 nan 4.420 nan 0.000 0.218 137 P C 1.418 178.717 177.300 -0.002 0.000 1.146 137 P CA 0.963 64.046 63.100 -0.028 0.000 0.813 137 P CB 0.318 32.007 31.700 -0.018 0.000 0.778 138 G N -0.802 108.003 108.800 0.008 0.000 2.535 138 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 138 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 138 G C 1.281 176.182 174.900 0.003 0.000 1.122 138 G CA 0.146 45.257 45.100 0.018 0.000 0.769 138 G HN 0.169 nan 8.290 nan 0.000 0.549 139 L N 0.287 121.503 121.223 -0.012 0.000 2.127 139 L HA 0.068 4.408 4.340 -0.000 0.000 0.211 139 L C 2.536 179.378 176.870 -0.046 0.000 1.089 139 L CA 1.120 55.946 54.840 -0.023 0.000 0.757 139 L CB -0.329 41.718 42.059 -0.019 0.000 0.899 139 L HN 0.230 nan 8.230 nan 0.000 0.434 140 L N -0.687 120.511 121.223 -0.041 0.000 2.612 140 L HA -0.005 4.335 4.340 -0.000 0.000 0.230 140 L C 0.686 177.437 176.870 -0.198 0.000 1.140 140 L CA -0.021 54.766 54.840 -0.087 0.000 0.896 140 L CB -0.381 41.700 42.059 0.037 0.000 1.065 140 L HN 0.244 nan 8.230 nan 0.000 0.447 141 K N -0.345 119.996 120.400 -0.097 0.000 3.071 141 K HA -0.234 4.085 4.320 -0.000 0.000 0.262 141 K C -0.781 175.731 176.600 -0.147 0.000 0.977 141 K CA 0.645 56.865 56.287 -0.111 0.000 0.721 141 K CB -2.007 30.409 32.500 -0.140 0.000 1.293 141 K HN 0.222 nan 8.250 nan 0.000 0.475 142 Y N 0.642 120.919 120.300 -0.039 0.000 2.335 142 Y HA 0.155 4.705 4.550 -0.000 0.000 0.331 142 Y C -1.630 174.261 175.900 -0.016 0.000 1.094 142 Y CA -2.330 55.755 58.100 -0.024 0.000 1.253 142 Y CB 0.519 38.968 38.460 -0.017 0.000 1.203 142 Y HN -0.010 nan 8.280 nan 0.000 0.508 143 P HA 0.033 nan 4.420 nan 0.000 0.266 143 P C -0.840 176.505 177.300 0.075 0.000 1.419 143 P CA 0.011 63.151 63.100 0.067 0.000 1.112 143 P CB -0.203 31.521 31.700 0.040 0.000 1.438 144 V N 0.527 120.480 119.914 0.065 0.000 3.093 144 V HA 0.523 4.643 4.120 -0.000 0.000 0.320 144 V C 0.294 176.404 176.094 0.026 0.000 1.093 144 V CA -1.214 61.114 62.300 0.046 0.000 1.016 144 V CB 1.708 33.557 31.823 0.044 0.000 1.096 144 V HN 0.115 nan 8.190 nan 0.000 0.452 145 K N 1.819 122.229 120.400 0.017 0.000 2.168 145 K HA 0.319 4.638 4.320 -0.000 0.000 0.258 145 K C -1.860 174.746 176.600 0.009 0.000 1.010 145 K CA -1.200 55.093 56.287 0.009 0.000 0.929 145 K CB 0.688 33.189 32.500 0.002 0.000 0.998 145 K HN 0.444 nan 8.250 nan 0.000 0.479 146 P HA -0.232 nan 4.420 nan 0.000 0.216 146 P C 1.127 178.430 177.300 0.006 0.000 1.150 146 P CA 1.493 64.597 63.100 0.006 0.000 0.843 146 P CB 0.148 31.850 31.700 0.004 0.000 0.787 147 S N -1.083 114.619 115.700 0.004 0.000 2.481 147 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 147 S C 1.628 176.232 174.600 0.006 0.000 0.996 147 S CA 0.883 59.085 58.200 0.004 0.000 0.942 147 S CB -0.872 62.328 63.200 0.000 0.000 0.768 147 S HN 0.273 nan 8.310 nan 0.000 0.520 148 E N 1.288 121.492 120.200 0.007 0.000 2.415 148 E HA 0.372 4.721 4.350 -0.000 0.000 0.197 148 E C 0.801 177.408 176.600 0.012 0.000 1.007 148 E CA 0.148 56.553 56.400 0.010 0.000 0.890 148 E CB 0.090 29.796 29.700 0.009 0.000 0.891 148 E HN 0.642 nan 8.360 nan 0.000 0.496 149 A N 0.857 123.685 122.820 0.013 0.000 2.561 149 A HA 0.304 4.623 4.320 -0.000 0.000 0.234 149 A C 1.395 178.986 177.584 0.012 0.000 1.055 149 A CA 0.910 52.956 52.037 0.014 0.000 0.756 149 A CB -0.393 18.615 19.000 0.012 0.000 0.986 149 A HN 0.379 nan 8.150 nan 0.000 0.505 150 G N 1.290 110.098 108.800 0.012 0.000 2.184 150 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 150 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 150 G C 0.203 175.109 174.900 0.009 0.000 0.975 150 G CA 0.934 46.040 45.100 0.010 0.000 0.642 150 G HN 0.892 nan 8.290 nan 0.000 0.536 151 K N 1.082 121.488 120.400 0.009 0.000 2.138 151 K HA 0.587 4.907 4.320 -0.000 0.000 0.263 151 K C 0.826 177.427 176.600 0.003 0.000 0.965 151 K CA 0.047 56.340 56.287 0.010 0.000 0.868 151 K CB 1.613 34.122 32.500 0.015 0.000 1.083 151 K HN 0.370 nan 8.250 nan 0.000 0.443 152 S N 0.949 116.652 115.700 0.006 0.000 2.608 152 S HA 0.189 4.659 4.470 -0.000 0.000 0.261 152 S C 1.303 175.903 174.600 0.000 0.000 1.314 152 S CA -0.174 58.025 58.200 -0.003 0.000 0.992 152 S CB 1.333 64.540 63.200 0.011 0.000 0.935 152 S HN 0.682 nan 8.310 nan 0.000 0.564 153 A N 1.619 124.429 122.820 -0.016 0.000 1.908 153 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 153 A C 2.237 179.858 177.584 0.062 0.000 1.181 153 A CA 1.820 53.855 52.037 -0.004 0.000 0.627 153 A CB -1.905 17.078 19.000 -0.029 0.000 0.818 153 A HN 1.179 nan 8.150 nan 0.000 0.445 154 G N -1.161 107.668 108.800 0.047 0.000 2.440 154 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 154 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 154 G C 1.640 176.601 174.900 0.102 0.000 1.154 154 G CA 1.063 46.197 45.100 0.057 0.000 0.767 154 G HN 0.621 nan 8.290 nan 0.000 0.552 155 Q N -0.438 119.404 119.800 0.070 0.000 2.050 155 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 155 Q C 2.735 178.789 176.000 0.091 0.000 0.980 155 Q CA 0.960 56.805 55.803 0.069 0.000 0.840 155 Q CB -0.245 28.518 28.738 0.042 0.000 0.898 155 Q HN 0.466 nan 8.270 nan 0.000 0.424 156 L N -0.641 120.633 121.223 0.084 0.000 2.042 156 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 156 L C 2.343 179.285 176.870 0.120 0.000 1.076 156 L CA 1.473 56.360 54.840 0.078 0.000 0.749 156 L CB -0.579 41.513 42.059 0.055 0.000 0.893 156 L HN 0.318 nan 8.230 nan 0.000 0.432 157 Y N 0.749 121.087 120.300 0.063 0.000 2.133 157 Y HA -0.300 4.250 4.550 -0.000 0.000 0.287 157 Y C 2.746 178.719 175.900 0.122 0.000 1.134 157 Y CA 2.055 60.219 58.100 0.107 0.000 1.133 157 Y CB -0.076 38.446 38.460 0.102 0.000 0.987 157 Y HN 0.170 nan 8.280 nan 0.000 0.502 158 E N 0.153 120.547 120.200 0.323 0.000 2.058 158 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 158 E C 1.985 178.653 176.600 0.114 0.000 0.997 158 E CA 1.807 58.352 56.400 0.240 0.000 0.801 158 E CB -0.181 29.642 29.700 0.204 0.000 0.746 158 E HN 0.650 nan 8.360 nan 0.000 0.450 159 E N -0.076 120.175 120.200 0.084 0.000 2.153 159 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 159 E C 2.116 178.730 176.600 0.022 0.000 0.988 159 E CA 1.177 57.606 56.400 0.049 0.000 0.811 159 E CB -0.025 29.698 29.700 0.038 0.000 0.746 159 E HN 0.308 nan 8.360 nan 0.000 0.466 160 S N 0.360 116.058 115.700 -0.003 0.000 2.474 160 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 160 S C 1.684 176.329 174.600 0.075 0.000 0.997 160 S CA 0.442 58.632 58.200 -0.018 0.000 0.949 160 S CB -0.037 63.127 63.200 -0.061 0.000 0.766 160 S HN 0.073 nan 8.310 nan 0.000 0.517 161 L N 2.192 123.443 121.223 0.046 0.000 2.610 161 L HA 0.293 4.632 4.340 -0.000 0.000 0.232 161 L C 2.432 179.337 176.870 0.058 0.000 1.149 161 L CA 0.511 55.387 54.840 0.060 0.000 0.872 161 L CB -1.510 40.560 42.059 0.018 0.000 0.992 161 L HN 0.458 nan 8.230 nan 0.000 0.447 162 G N -0.123 108.708 108.800 0.051 0.000 2.529 162 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.219 162 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.219 162 G C 1.774 176.699 174.900 0.041 0.000 1.177 162 G CA 1.193 46.314 45.100 0.035 0.000 0.773 162 G HN 0.325 nan 8.290 nan 0.000 0.573 163 K N 0.272 120.707 120.400 0.058 0.000 2.063 163 K HA -0.047 4.273 4.320 -0.000 0.000 0.208 163 K C 2.532 179.186 176.600 0.090 0.000 1.048 163 K CA 1.569 57.904 56.287 0.079 0.000 0.928 163 K CB -0.717 31.825 32.500 0.071 0.000 0.713 163 K HN 0.212 nan 8.250 nan 0.000 0.442 164 V N -0.029 119.885 119.914 -0.000 0.000 2.358 164 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 164 V C 2.296 178.375 176.094 -0.026 0.000 1.047 164 V CA 1.690 63.894 62.300 -0.159 0.000 1.035 164 V CB -0.362 31.202 31.823 -0.432 0.000 0.658 164 V HN 0.150 nan 8.190 nan 0.000 0.452 165 V N 0.057 119.961 119.914 -0.017 0.000 2.343 165 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 165 V C 2.510 178.616 176.094 0.019 0.000 1.051 165 V CA 2.296 64.593 62.300 -0.005 0.000 1.036 165 V CB -0.594 31.230 31.823 0.001 0.000 0.654 165 V HN 0.667 nan 8.190 nan 0.000 0.451 166 E N -0.040 120.182 120.200 0.037 0.000 2.051 166 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 166 E C 2.240 178.880 176.600 0.067 0.000 0.991 166 E CA 1.262 57.689 56.400 0.045 0.000 0.799 166 E CB -0.018 29.712 29.700 0.049 0.000 0.748 166 E HN 0.571 nan 8.360 nan 0.000 0.449 167 E N 0.733 121.004 120.200 0.118 0.000 2.077 167 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 167 E C 2.218 178.904 176.600 0.143 0.000 0.989 167 E CA 0.583 57.090 56.400 0.178 0.000 0.800 167 E CB -0.355 29.546 29.700 0.335 0.000 0.746 167 E HN 0.250 nan 8.360 nan 0.000 0.452 168 L N 1.828 123.114 121.223 0.104 0.000 1.989 168 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 168 L C 1.978 178.859 176.870 0.019 0.000 1.071 168 L CA 1.947 56.819 54.840 0.054 0.000 0.749 168 L CB -0.371 41.686 42.059 -0.004 0.000 0.890 168 L HN -0.073 nan 8.230 nan 0.000 0.431 169 K N -0.879 119.527 120.400 0.010 0.000 2.152 169 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 169 K C 2.312 178.906 176.600 -0.010 0.000 1.048 169 K CA 1.517 57.801 56.287 -0.005 0.000 0.933 169 K CB -0.211 32.287 32.500 -0.002 0.000 0.721 169 K HN 0.293 nan 8.250 nan 0.000 0.447 170 R N 0.426 120.925 120.500 -0.002 0.000 2.193 170 R HA -0.070 4.270 4.340 -0.000 0.000 0.213 170 R C 1.594 177.852 176.300 -0.071 0.000 1.055 170 R CA 1.583 57.667 56.100 -0.026 0.000 0.995 170 R CB 0.235 30.528 30.300 -0.010 0.000 0.893 170 R HN 0.380 nan 8.270 nan 0.000 0.459 171 T N -2.826 111.693 114.554 -0.058 0.000 1.832 171 T HA 0.274 4.624 4.350 -0.000 0.000 0.171 171 T C -0.582 174.099 174.700 -0.032 0.000 0.718 171 T CA -0.361 61.673 62.100 -0.110 0.000 0.980 171 T CB 0.219 68.936 68.868 -0.251 0.000 3.173 171 T HN 0.275 nan 8.240 nan 0.000 0.399 172 N N -1.686 117.034 118.700 0.034 0.000 3.020 172 N HA 0.402 5.142 4.740 -0.000 0.000 0.248 172 N C 0.377 175.916 175.510 0.048 0.000 1.480 172 N CA -0.439 52.627 53.050 0.027 0.000 0.874 172 N CB 0.556 39.053 38.487 0.016 0.000 1.433 172 N HN 0.471 nan 8.380 nan 0.000 0.530 173 c N -0.228 118.360 118.600 -0.021 0.000 2.413 173 c HA -0.138 4.432 4.570 -0.000 0.000 0.276 173 c C 2.862 176.926 174.090 -0.042 0.000 1.236 173 c CA 1.827 58.108 56.329 -0.079 0.000 1.735 173 c CB -1.538 40.884 42.510 -0.146 0.000 2.031 173 c HN 0.895 nan 8.230 nan 0.000 0.474 174 S N -0.177 115.521 115.700 -0.003 0.000 2.383 174 S HA -0.278 4.192 4.470 -0.000 0.000 0.229 174 S C 1.751 176.376 174.600 0.043 0.000 1.030 174 S CA 1.859 60.067 58.200 0.014 0.000 1.002 174 S CB -0.960 62.262 63.200 0.036 0.000 0.829 174 S HN 0.700 nan 8.310 nan 0.000 0.467 175 Y N 3.394 123.681 120.300 -0.022 0.000 2.163 175 Y HA -0.012 4.538 4.550 -0.000 0.000 0.288 175 Y C 2.131 178.028 175.900 -0.005 0.000 1.136 175 Y CA 1.621 59.714 58.100 -0.011 0.000 1.147 175 Y CB -0.427 38.029 38.460 -0.007 0.000 0.987 175 Y HN 0.444 nan 8.280 nan 0.000 0.509 176 I N -2.233 118.360 120.570 0.039 0.000 2.439 176 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 176 I C 1.917 178.056 176.117 0.036 0.000 1.139 176 I CA 1.273 62.611 61.300 0.065 0.000 1.438 176 I CB -0.669 37.462 38.000 0.218 0.000 1.085 176 I HN 0.170 nan 8.210 nan 0.000 0.427 177 L N 1.113 122.310 121.223 -0.044 0.000 2.083 177 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 177 L C 2.311 179.138 176.870 -0.072 0.000 1.083 177 L CA 1.648 56.445 54.840 -0.071 0.000 0.752 177 L CB -0.812 41.178 42.059 -0.116 0.000 0.899 177 L HN 0.334 nan 8.230 nan 0.000 0.433 178 N N -0.009 118.624 118.700 -0.112 0.000 2.171 178 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 178 N C 1.771 177.150 175.510 -0.219 0.000 1.021 178 N CA 1.024 53.997 53.050 -0.128 0.000 0.854 178 N CB 0.019 38.428 38.487 -0.129 0.000 0.994 178 N HN 0.160 nan 8.380 nan 0.000 0.426 179 K N -0.488 119.683 120.400 -0.382 0.000 2.026 179 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 179 K C 1.054 177.429 176.600 -0.375 0.000 1.048 179 K CA 1.289 57.278 56.287 -0.496 0.000 0.929 179 K CB -0.213 31.797 32.500 -0.818 0.000 0.713 179 K HN 0.290 nan 8.250 nan 0.000 0.439 180 Y N 0.355 120.664 120.300 0.015 0.000 2.578 180 Y HA -0.046 4.504 4.550 -0.000 0.000 0.297 180 Y C 1.442 177.451 175.900 0.181 0.000 1.176 180 Y CA 0.542 58.729 58.100 0.145 0.000 1.315 180 Y CB 0.101 38.619 38.460 0.097 0.000 1.031 180 Y HN 0.285 nan 8.280 nan 0.000 0.524 181 D N -0.457 120.007 120.400 0.106 0.000 2.347 181 D HA -0.103 4.537 4.640 -0.000 0.000 0.213 181 D C 1.935 178.163 176.300 -0.119 0.000 0.985 181 D CA 1.285 55.342 54.000 0.096 0.000 0.879 181 D CB 0.024 40.880 40.800 0.093 0.000 0.919 181 D HN 0.266 nan 8.370 nan 0.000 0.526 182 T N -2.824 111.570 114.554 -0.265 0.000 3.129 182 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 182 T C 0.242 174.796 174.700 -0.243 0.000 1.117 182 T CA -0.127 61.551 62.100 -0.704 0.000 1.034 182 T CB -0.378 68.091 68.868 -0.664 0.000 0.968 182 T HN -0.066 nan 8.240 nan 0.000 0.526 183 Y N 2.144 122.435 120.300 -0.016 0.000 2.487 183 Y HA 0.587 5.137 4.550 -0.000 0.000 0.337 183 Y C 0.759 176.775 175.900 0.194 0.000 1.076 183 Y CA -1.298 56.870 58.100 0.115 0.000 1.115 183 Y CB 1.858 40.437 38.460 0.198 0.000 1.235 183 Y HN 0.189 nan 8.280 nan 0.000 0.468 184 S N -0.870 115.035 115.700 0.340 0.000 2.672 184 S HA 0.252 4.722 4.470 -0.000 0.000 0.276 184 S C 0.745 175.539 174.600 0.323 0.000 1.207 184 S CA -0.415 57.980 58.200 0.324 0.000 1.002 184 S CB 1.431 64.791 63.200 0.268 0.000 0.998 184 S HN 0.699 nan 8.310 nan 0.000 0.542 185 T N 1.400 116.184 114.554 0.383 0.000 2.652 185 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 185 T C 1.714 176.502 174.700 0.148 0.000 1.039 185 T CA 1.877 64.222 62.100 0.409 0.000 1.153 185 T CB -0.470 68.768 68.868 0.616 0.000 0.863 185 T HN 0.768 nan 8.240 nan 0.000 0.428 186 K N 0.900 121.315 120.400 0.025 0.000 2.057 186 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 186 K C 2.377 178.879 176.600 -0.164 0.000 1.049 186 K CA 1.613 57.676 56.287 -0.373 0.000 0.931 186 K CB -0.107 32.050 32.500 -0.571 0.000 0.714 186 K HN 0.450 nan 8.250 nan 0.000 0.440 187 E N -0.482 119.712 120.200 -0.011 0.000 2.085 187 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 187 E C 1.921 178.549 176.600 0.047 0.000 0.994 187 E CA 1.362 57.792 56.400 0.050 0.000 0.801 187 E CB -0.279 29.508 29.700 0.145 0.000 0.743 187 E HN 0.464 nan 8.360 nan 0.000 0.453 188 Y N 1.221 121.444 120.300 -0.128 0.000 2.114 188 Y HA -0.206 4.344 4.550 -0.000 0.000 0.284 188 Y C 2.017 177.686 175.900 -0.386 0.000 1.143 188 Y CA 1.837 59.684 58.100 -0.422 0.000 1.135 188 Y CB -0.358 37.386 38.460 -1.193 0.000 0.980 188 Y HN 0.020 nan 8.280 nan 0.000 0.499 189 L N -0.248 120.774 121.223 -0.334 0.000 2.043 189 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 189 L C 2.395 179.086 176.870 -0.298 0.000 1.075 189 L CA 1.783 56.449 54.840 -0.289 0.000 0.752 189 L CB -0.582 41.409 42.059 -0.113 0.000 0.891 189 L HN 0.352 nan 8.230 nan 0.000 0.432 190 I N -0.746 119.683 120.570 -0.235 0.000 2.296 190 I HA -0.204 3.965 4.170 -0.000 0.000 0.242 190 I C 2.501 178.514 176.117 -0.172 0.000 1.087 190 I CA 1.077 62.274 61.300 -0.170 0.000 1.393 190 I CB -0.184 37.744 38.000 -0.120 0.000 1.093 190 I HN 0.133 nan 8.210 nan 0.000 0.421 191 K N 0.354 120.659 120.400 -0.158 0.000 2.097 191 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 191 K C 1.878 178.364 176.600 -0.190 0.000 1.050 191 K CA 1.077 57.300 56.287 -0.106 0.000 0.938 191 K CB 0.093 32.610 32.500 0.029 0.000 0.718 191 K HN 0.230 nan 8.250 nan 0.000 0.442 192 E N -0.755 119.186 120.200 -0.432 0.000 2.290 192 E HA 0.030 4.380 4.350 -0.000 0.000 0.199 192 E C 2.076 178.345 176.600 -0.552 0.000 0.912 192 E CA 0.601 56.680 56.400 -0.536 0.000 0.924 192 E CB 0.002 29.183 29.700 -0.865 0.000 0.901 192 E HN 0.335 nan 8.360 nan 0.000 0.487 193 G N 1.090 109.468 108.800 -0.704 0.000 2.448 193 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 193 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 193 G C 0.057 174.823 174.900 -0.224 0.000 1.135 193 G CA 0.580 45.430 45.100 -0.417 0.000 0.784 193 G HN 0.096 nan 8.290 nan 0.000 0.543 194 D N -0.916 119.357 120.400 -0.211 0.000 2.870 194 D HA -0.127 4.512 4.640 -0.000 0.000 0.228 194 D C 0.417 176.660 176.300 -0.093 0.000 1.147 194 D CA 0.394 54.318 54.000 -0.126 0.000 0.757 194 D CB -1.419 39.324 40.800 -0.094 0.000 1.091 194 D HN 0.300 nan 8.370 nan 0.000 0.429 195 L N 0.267 121.430 121.223 -0.101 0.000 2.417 195 L HA 0.264 4.604 4.340 -0.000 0.000 0.268 195 L C 1.401 178.245 176.870 -0.044 0.000 1.158 195 L CA -0.385 54.420 54.840 -0.059 0.000 0.819 195 L CB 0.953 42.983 42.059 -0.049 0.000 1.112 195 L HN 0.109 nan 8.230 nan 0.000 0.458 196 S N 1.430 117.118 115.700 -0.020 0.000 2.603 196 S HA 0.225 4.695 4.470 -0.000 0.000 0.268 196 S C -1.933 172.668 174.600 0.003 0.000 1.317 196 S CA -1.126 57.069 58.200 -0.007 0.000 1.012 196 S CB 1.083 64.288 63.200 0.008 0.000 0.926 196 S HN 0.405 nan 8.310 nan 0.000 0.539 197 P HA -0.007 nan 4.420 nan 0.000 0.216 197 P C 1.675 179.012 177.300 0.062 0.000 1.150 197 P CA 1.602 64.716 63.100 0.024 0.000 0.837 197 P CB -0.419 31.295 31.700 0.024 0.000 0.786 198 G N -0.023 108.821 108.800 0.074 0.000 2.402 198 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 198 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 198 G C 1.640 176.596 174.900 0.092 0.000 1.162 198 G CA 0.862 46.042 45.100 0.134 0.000 0.777 198 G HN 0.312 nan 8.290 nan 0.000 0.539 199 A N 0.129 122.971 122.820 0.037 0.000 1.933 199 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 199 A C 2.580 180.170 177.584 0.009 0.000 1.175 199 A CA 1.749 53.783 52.037 -0.006 0.000 0.628 199 A CB -0.564 18.439 19.000 0.004 0.000 0.814 199 A HN 0.249 nan 8.150 nan 0.000 0.444 200 V N 0.499 120.439 119.914 0.044 0.000 2.427 200 V HA -0.218 3.901 4.120 -0.000 0.000 0.248 200 V C 2.126 178.335 176.094 0.191 0.000 1.051 200 V CA 2.242 64.601 62.300 0.098 0.000 1.048 200 V CB -0.758 31.062 31.823 -0.005 0.000 0.666 200 V HN 0.473 nan 8.190 nan 0.000 0.456 201 D N -0.620 119.864 120.400 0.141 0.000 2.117 201 D HA -0.177 4.462 4.640 -0.000 0.000 0.197 201 D C 2.052 178.364 176.300 0.019 0.000 0.987 201 D CA 1.356 55.471 54.000 0.191 0.000 0.829 201 D CB -0.214 40.760 40.800 0.290 0.000 0.961 201 D HN 0.348 nan 8.370 nan 0.000 0.460 202 M N 0.011 119.397 119.600 -0.357 0.000 2.086 202 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 202 M C 2.030 178.161 176.300 -0.281 0.000 1.067 202 M CA 1.225 56.012 55.300 -0.855 0.000 1.116 202 M CB 0.007 32.028 32.600 -0.965 0.000 1.348 202 M HN -0.052 nan 8.290 nan 0.000 0.407 203 I N -0.185 120.346 120.570 -0.065 0.000 2.179 203 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 203 I C 2.507 178.647 176.117 0.039 0.000 1.088 203 I CA 1.438 62.777 61.300 0.066 0.000 1.357 203 I CB -0.976 37.169 38.000 0.243 0.000 1.051 203 I HN 0.451 nan 8.210 nan 0.000 0.409 204 G N 0.446 109.288 108.800 0.070 0.000 2.421 204 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 204 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 204 G C 1.239 176.108 174.900 -0.051 0.000 1.171 204 G CA 1.026 46.035 45.100 -0.153 0.000 0.775 204 G HN 0.276 nan 8.290 nan 0.000 0.543 205 D N 0.511 120.932 120.400 0.034 0.000 2.084 205 D HA -0.051 4.589 4.640 -0.000 0.000 0.196 205 D C 2.666 179.036 176.300 0.117 0.000 0.985 205 D CA 0.714 54.760 54.000 0.076 0.000 0.826 205 D CB -0.342 40.554 40.800 0.160 0.000 0.978 205 D HN 0.325 nan 8.370 nan 0.000 0.456 206 L N -0.240 121.046 121.223 0.105 0.000 2.270 206 L HA 0.085 4.425 4.340 -0.000 0.000 0.210 206 L C 1.811 178.808 176.870 0.211 0.000 1.104 206 L CA 0.424 55.386 54.840 0.204 0.000 0.804 206 L CB -0.071 42.076 42.059 0.147 0.000 0.937 206 L HN -0.033 nan 8.230 nan 0.000 0.450 207 L N -0.442 120.829 121.223 0.079 0.000 2.700 207 L HA 0.158 4.498 4.340 -0.000 0.000 0.234 207 L C 0.373 177.168 176.870 -0.125 0.000 1.156 207 L CA -0.005 54.816 54.840 -0.033 0.000 0.946 207 L CB -0.476 41.521 42.059 -0.103 0.000 1.216 207 L HN 0.410 nan 8.230 nan 0.000 0.493 208 N N 0.898 119.608 118.700 0.017 0.000 2.754 208 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 208 N C 0.856 176.241 175.510 -0.208 0.000 1.093 208 N CA 0.225 53.231 53.050 -0.073 0.000 0.699 208 N CB -0.011 38.206 38.487 -0.451 0.000 1.016 208 N HN 0.342 nan 8.380 nan 0.000 0.552 209 E N -0.192 119.855 120.200 -0.255 0.000 2.431 209 E HA -0.038 4.311 4.350 -0.000 0.000 0.200 209 E C 1.088 177.235 176.600 -0.753 0.000 0.995 209 E CA 0.238 56.382 56.400 -0.426 0.000 0.915 209 E CB -0.001 29.469 29.700 -0.383 0.000 0.930 209 E HN 0.507 nan 8.360 nan 0.000 0.496 210 D N 0.935 120.985 120.400 -0.584 0.000 2.126 210 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 210 D C 1.609 177.794 176.300 -0.191 0.000 1.001 210 D CA 1.751 55.493 54.000 -0.430 0.000 0.841 210 D CB 0.167 40.906 40.800 -0.101 0.000 0.949 210 D HN -0.090 nan 8.370 nan 0.000 0.446 211 S N -1.345 114.285 115.700 -0.117 0.000 2.555 211 S HA 0.087 4.557 4.470 -0.000 0.000 0.230 211 S C 1.510 176.014 174.600 -0.159 0.000 0.978 211 S CA 0.728 58.908 58.200 -0.033 0.000 0.934 211 S CB 0.498 63.703 63.200 0.008 0.000 0.766 211 S HN 0.428 nan 8.310 nan 0.000 0.533 212 G N -1.046 107.618 108.800 -0.227 0.000 3.651 212 G HA2 0.153 4.113 3.960 -0.000 0.000 0.279 212 G HA3 0.153 4.113 3.960 -0.000 0.000 0.279 212 G C 0.432 175.256 174.900 -0.127 0.000 1.024 212 G CA -0.249 44.697 45.100 -0.257 0.000 0.813 212 G HN 0.334 nan 8.290 nan 0.000 0.518 213 Y N 0.828 121.066 120.300 -0.105 0.000 2.497 213 Y HA -0.074 4.475 4.550 -0.000 0.000 0.292 213 Y C 2.060 178.026 175.900 0.110 0.000 1.137 213 Y CA -0.032 58.099 58.100 0.050 0.000 1.285 213 Y CB -0.153 38.378 38.460 0.119 0.000 0.991 213 Y HN 0.613 nan 8.280 nan 0.000 0.556 214 Y N -1.867 118.611 120.300 0.298 0.000 2.458 214 Y HA 0.408 4.958 4.550 -0.000 0.000 0.256 214 Y C 0.689 176.709 175.900 0.199 0.000 1.159 214 Y CA -1.114 57.111 58.100 0.209 0.000 1.261 214 Y CB -1.199 37.350 38.460 0.147 0.000 1.119 214 Y HN -0.168 nan 8.280 nan 0.000 0.524 215 V N -1.070 118.899 119.914 0.091 0.000 3.295 215 V HA 0.400 4.519 4.120 -0.000 0.000 0.308 215 V C 0.775 177.053 176.094 0.307 0.000 1.068 215 V CA -0.849 61.574 62.300 0.205 0.000 1.062 215 V CB 1.131 33.037 31.823 0.139 0.000 1.162 215 V HN 0.284 nan 8.190 nan 0.000 0.456 216 S N 0.643 116.559 115.700 0.360 0.000 2.563 216 S HA 0.012 4.481 4.470 -0.000 0.000 0.294 216 S C 0.529 175.378 174.600 0.416 0.000 1.279 216 S CA -0.048 58.400 58.200 0.414 0.000 1.069 216 S CB -0.581 62.950 63.200 0.552 0.000 0.828 216 S HN 0.875 nan 8.310 nan 0.000 0.497 217 F N 6.207 126.296 119.950 0.231 0.000 2.250 217 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 217 F C 1.563 177.409 175.800 0.077 0.000 1.077 217 F CA 1.035 59.127 58.000 0.154 0.000 1.348 217 F CB -0.300 38.768 39.000 0.113 0.000 1.040 217 F HN 0.658 nan 8.300 nan 0.000 0.509 218 I N 0.275 120.859 120.570 0.024 0.000 2.264 218 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 218 I C 2.281 178.243 176.117 -0.259 0.000 1.111 218 I CA 1.159 62.312 61.300 -0.245 0.000 1.382 218 I CB -1.296 36.420 38.000 -0.473 0.000 1.060 218 I HN 0.168 nan 8.210 nan 0.000 0.418 219 E N 0.273 120.500 120.200 0.045 0.000 2.077 219 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 219 E C 2.326 178.872 176.600 -0.089 0.000 0.989 219 E CA 1.373 57.791 56.400 0.030 0.000 0.800 219 E CB -0.267 29.587 29.700 0.258 0.000 0.746 219 E HN 0.357 nan 8.360 nan 0.000 0.452 220 S N 0.457 116.146 115.700 -0.018 0.000 2.368 220 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 220 S C 2.132 176.616 174.600 -0.193 0.000 1.030 220 S CA 0.737 58.941 58.200 0.006 0.000 0.999 220 S CB -0.152 63.179 63.200 0.217 0.000 0.844 220 S HN 0.149 nan 8.310 nan 0.000 0.459 221 L N 0.728 121.645 121.223 -0.511 0.000 2.017 221 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 221 L C 2.707 179.055 176.870 -0.871 0.000 1.073 221 L CA 1.447 55.918 54.840 -0.616 0.000 0.745 221 L CB -0.479 41.189 42.059 -0.652 0.000 0.894 221 L HN 0.279 nan 8.230 nan 0.000 0.432 222 K N -0.946 118.874 120.400 -0.967 0.000 2.057 222 K HA -0.166 4.153 4.320 -0.000 0.000 0.207 222 K C 2.121 178.422 176.600 -0.498 0.000 1.049 222 K CA 1.150 56.843 56.287 -0.991 0.000 0.931 222 K CB -0.180 31.891 32.500 -0.715 0.000 0.714 222 K HN 0.362 nan 8.250 nan 0.000 0.440 223 H N 0.122 119.084 119.070 -0.179 0.000 2.462 223 H HA -0.078 4.478 4.556 -0.000 0.000 0.292 223 H C 1.661 176.992 175.328 0.005 0.000 1.049 223 H CA 1.342 57.404 56.048 0.023 0.000 1.334 223 H CB -0.115 29.635 29.762 -0.020 0.000 1.404 223 H HN 0.372 nan 8.280 nan 0.000 0.544 224 D N 0.704 121.094 120.400 -0.017 0.000 2.149 224 D HA -0.149 4.490 4.640 -0.000 0.000 0.201 224 D C 1.874 178.273 176.300 0.165 0.000 0.972 224 D CA 1.094 55.102 54.000 0.015 0.000 0.835 224 D CB -0.027 40.795 40.800 0.038 0.000 0.966 224 D HN 0.180 nan 8.370 nan 0.000 0.476 225 D N -0.766 119.626 120.400 -0.013 0.000 2.190 225 D HA -0.160 4.479 4.640 -0.000 0.000 0.200 225 D C 1.882 178.246 176.300 0.107 0.000 0.992 225 D CA 1.213 55.215 54.000 0.005 0.000 0.854 225 D CB -0.044 40.600 40.800 -0.260 0.000 0.936 225 D HN 0.405 nan 8.370 nan 0.000 0.462 226 I N -1.228 119.391 120.570 0.081 0.000 2.364 226 I HA -0.087 4.082 4.170 -0.000 0.000 0.241 226 I C 1.591 177.803 176.117 0.157 0.000 1.082 226 I CA 0.232 61.533 61.300 0.002 0.000 1.401 226 I CB -0.211 37.682 38.000 -0.178 0.000 1.126 226 I HN -0.048 nan 8.210 nan 0.000 0.429 227 F N 1.194 121.221 119.950 0.127 0.000 2.234 227 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 227 F C 2.496 178.306 175.800 0.017 0.000 1.087 227 F CA 1.256 59.330 58.000 0.124 0.000 1.340 227 F CB -0.634 38.386 39.000 0.034 0.000 1.031 227 F HN 0.000 nan 8.300 nan 0.000 0.500 228 A N -2.050 120.837 122.820 0.112 0.000 2.072 228 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 228 A C 1.167 178.412 177.584 -0.565 0.000 1.156 228 A CA 0.904 52.793 52.037 -0.246 0.000 0.701 228 A CB -0.685 18.090 19.000 -0.375 0.000 0.816 228 A HN 0.448 nan 8.150 nan 0.000 0.458 229 Y N -1.136 119.187 120.300 0.039 0.000 2.426 229 Y HA 0.299 4.848 4.550 -0.000 0.000 0.249 229 Y C 0.541 176.418 175.900 -0.039 0.000 1.103 229 Y CA -0.511 57.590 58.100 0.002 0.000 1.256 229 Y CB 0.430 38.882 38.460 -0.013 0.000 1.208 229 Y HN 0.234 nan 8.280 nan 0.000 0.519 230 E N 1.617 121.840 120.200 0.039 0.000 2.194 230 E HA 0.197 4.546 4.350 -0.000 0.000 0.284 230 E C 0.296 176.899 176.600 0.004 0.000 1.035 230 E CA 0.062 56.399 56.400 -0.105 0.000 0.836 230 E CB 0.805 30.250 29.700 -0.424 0.000 1.070 230 E HN 0.177 nan 8.360 nan 0.000 0.401 231 K N 2.992 123.377 120.400 -0.025 0.000 2.379 231 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 231 K C 0.236 176.876 176.600 0.066 0.000 1.031 231 K CA 0.052 56.362 56.287 0.038 0.000 1.037 231 K CB 0.408 32.917 32.500 0.015 0.000 0.824 231 K HN 0.133 nan 8.250 nan 0.000 0.516 232 R N 0.514 120.996 120.500 -0.031 0.000 2.532 232 R HA 0.341 4.680 4.340 -0.000 0.000 0.297 232 R C -1.775 174.437 176.300 -0.146 0.000 0.984 232 R CA -0.445 55.656 56.100 0.002 0.000 0.884 232 R CB 0.457 30.736 30.300 -0.035 0.000 1.182 232 R HN -0.231 nan 8.270 nan 0.000 0.442 233 F N 1.601 121.548 119.950 -0.006 0.000 2.577 233 F HA 0.568 5.094 4.527 -0.000 0.000 0.318 233 F C -0.113 175.745 175.800 0.097 0.000 1.065 233 F CA -0.409 57.589 58.000 -0.003 0.000 0.929 233 F CB 2.410 41.410 39.000 -0.001 0.000 1.237 233 F HN 0.381 nan 8.300 nan 0.000 0.468 234 D N 0.454 121.003 120.400 0.250 0.000 2.596 234 D HA 0.285 4.925 4.640 -0.000 0.000 0.234 234 D C -1.271 175.165 176.300 0.226 0.000 1.181 234 D CA -0.525 53.615 54.000 0.233 0.000 0.856 234 D CB 2.890 43.770 40.800 0.133 0.000 1.498 234 D HN 0.667 nan 8.370 nan 0.000 0.446 235 E N 0.269 120.625 120.200 0.259 0.000 2.263 235 E HA 0.587 4.936 4.350 -0.000 0.000 0.264 235 E C -0.544 176.153 176.600 0.162 0.000 0.923 235 E CA -0.831 55.708 56.400 0.232 0.000 0.802 235 E CB 1.915 31.834 29.700 0.365 0.000 1.228 235 E HN 0.288 nan 8.360 nan 0.000 0.417 236 I N 2.172 122.812 120.570 0.115 0.000 2.416 236 I HA 0.072 4.242 4.170 -0.000 0.000 0.288 236 I C -0.019 176.123 176.117 0.042 0.000 1.051 236 I CA -0.947 60.396 61.300 0.071 0.000 1.375 236 I CB 1.296 39.322 38.000 0.043 0.000 1.407 236 I HN 0.385 nan 8.210 nan 0.000 0.516 237 V N 6.873 126.815 119.914 0.048 0.000 2.617 237 V HA -0.079 4.041 4.120 -0.000 0.000 0.304 237 V C 0.595 176.676 176.094 -0.022 0.000 1.040 237 V CA 0.700 63.022 62.300 0.038 0.000 1.149 237 V CB 0.214 32.071 31.823 0.058 0.000 0.914 237 V HN 0.933 nan 8.190 nan 0.000 0.487 238 D N 2.202 122.583 120.400 -0.033 0.000 3.077 238 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 238 D C 0.443 176.338 176.300 -0.675 0.000 1.125 238 D CA 1.667 55.566 54.000 -0.167 0.000 0.970 238 D CB -1.331 39.440 40.800 -0.049 0.000 1.110 238 D HN 1.608 nan 8.370 nan 0.000 0.419 239 G N -0.622 107.724 108.800 -0.756 0.000 2.841 239 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.684 239 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.684 239 G C 0.701 175.457 174.900 -0.239 0.000 1.273 239 G CA -0.022 44.652 45.100 -0.709 0.000 0.811 239 G HN -0.050 nan 8.290 nan 0.000 0.631 240 M N 1.438 120.977 119.600 -0.102 0.000 2.213 240 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 240 M C 2.249 178.531 176.300 -0.031 0.000 1.062 240 M CA 2.188 57.477 55.300 -0.019 0.000 1.105 240 M CB -0.956 31.662 32.600 0.030 0.000 1.385 240 M HN 0.841 nan 8.290 nan 0.000 0.417 241 D N -0.187 120.179 120.400 -0.056 0.000 2.392 241 D HA -0.135 4.505 4.640 -0.000 0.000 0.228 241 D C 1.444 177.706 176.300 -0.062 0.000 1.003 241 D CA 0.694 54.665 54.000 -0.048 0.000 0.917 241 D CB -0.327 40.443 40.800 -0.049 0.000 0.890 241 D HN 0.137 nan 8.370 nan 0.000 0.532 242 K N -0.014 120.341 120.400 -0.075 0.000 2.147 242 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 242 K C 1.939 178.505 176.600 -0.056 0.000 1.049 242 K CA 0.348 56.595 56.287 -0.065 0.000 0.936 242 K CB -0.426 32.039 32.500 -0.058 0.000 0.722 242 K HN 0.277 nan 8.250 nan 0.000 0.446 243 L N 2.230 123.436 121.223 -0.027 0.000 1.988 243 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 243 L C -1.091 175.715 176.870 -0.107 0.000 1.071 243 L CA 1.875 56.708 54.840 -0.012 0.000 0.744 243 L CB -1.425 40.664 42.059 0.049 0.000 0.893 243 L HN 0.031 nan 8.230 nan 0.000 0.433 244 P HA -0.124 nan 4.420 nan 0.000 0.218 244 P C 1.460 178.732 177.300 -0.046 0.000 1.149 244 P CA 1.735 64.794 63.100 -0.068 0.000 0.817 244 P CB -0.224 31.458 31.700 -0.031 0.000 0.785 245 T N 0.269 114.799 114.554 -0.039 0.000 2.746 245 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 245 T C 2.086 176.760 174.700 -0.045 0.000 1.039 245 T CA 1.771 63.894 62.100 0.039 0.000 1.142 245 T CB -0.772 68.097 68.868 0.002 0.000 0.866 245 T HN 0.092 nan 8.240 nan 0.000 0.444 246 A N 1.161 123.833 122.820 -0.247 0.000 1.902 246 A HA -0.023 4.296 4.320 -0.000 0.000 0.217 246 A C 2.314 179.420 177.584 -0.796 0.000 1.181 246 A CA 1.665 53.399 52.037 -0.506 0.000 0.623 246 A CB -0.694 17.913 19.000 -0.655 0.000 0.818 246 A HN 0.487 nan 8.150 nan 0.000 0.443 247 M N -1.772 117.316 119.600 -0.853 0.000 2.117 247 M HA -0.145 4.335 4.480 -0.000 0.000 0.262 247 M C 2.152 178.377 176.300 -0.124 0.000 1.065 247 M CA 2.198 57.133 55.300 -0.608 0.000 1.114 247 M CB -0.316 32.055 32.600 -0.382 0.000 1.361 247 M HN 0.617 nan 8.290 nan 0.000 0.408 248 Y N 1.127 121.338 120.300 -0.148 0.000 2.114 248 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 248 Y C 2.166 178.066 175.900 -0.001 0.000 1.143 248 Y CA 1.747 59.833 58.100 -0.024 0.000 1.135 248 Y CB -0.619 37.862 38.460 0.035 0.000 0.980 248 Y HN 0.154 nan 8.280 nan 0.000 0.499 249 R N 0.270 120.455 120.500 -0.525 0.000 2.117 249 R HA -0.222 4.118 4.340 -0.000 0.000 0.243 249 R C 1.803 177.920 176.300 -0.305 0.000 1.143 249 R CA 1.752 57.525 56.100 -0.546 0.000 0.968 249 R CB -0.962 29.181 30.300 -0.260 0.000 0.863 249 R HN 0.444 nan 8.270 nan 0.000 0.444 250 D N 0.843 121.158 120.400 -0.142 0.000 2.218 250 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 250 D C 1.392 177.688 176.300 -0.006 0.000 0.976 250 D CA 0.899 54.914 54.000 0.025 0.000 0.853 250 D CB 0.144 41.118 40.800 0.291 0.000 0.939 250 D HN 0.459 nan 8.370 nan 0.000 0.481 251 I N -2.692 117.850 120.570 -0.046 0.000 3.658 251 I HA 0.270 4.440 4.170 -0.000 0.000 0.328 251 I C 1.334 177.402 176.117 -0.082 0.000 1.567 251 I CA -0.474 60.806 61.300 -0.033 0.000 1.078 251 I CB 0.150 38.172 38.000 0.036 0.000 1.267 251 I HN -0.170 nan 8.210 nan 0.000 0.495 252 Q N 2.947 122.600 119.800 -0.244 0.000 2.082 252 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 252 Q C 1.731 177.702 176.000 -0.049 0.000 1.002 252 Q CA 3.060 58.666 55.803 -0.328 0.000 0.868 252 Q CB -0.062 28.431 28.738 -0.409 0.000 0.931 252 Q HN 0.826 nan 8.270 nan 0.000 0.414 253 D N -0.541 119.834 120.400 -0.041 0.000 2.309 253 D HA -0.181 4.458 4.640 -0.000 0.000 0.212 253 D C 0.764 177.092 176.300 0.046 0.000 0.968 253 D CA 1.093 55.091 54.000 -0.002 0.000 0.882 253 D CB -0.099 40.694 40.800 -0.013 0.000 0.918 253 D HN 0.369 nan 8.370 nan 0.000 0.503 254 K N 0.102 120.538 120.400 0.060 0.000 2.358 254 K HA 0.201 4.521 4.320 -0.000 0.000 0.197 254 K C 0.011 176.686 176.600 0.125 0.000 1.025 254 K CA -0.127 56.220 56.287 0.099 0.000 1.104 254 K CB 1.686 34.212 32.500 0.044 0.000 0.855 254 K HN -0.018 nan 8.250 nan 0.000 0.531 255 V N 2.306 122.295 119.914 0.126 0.000 2.398 255 V HA 0.185 4.304 4.120 -0.000 0.000 0.286 255 V C -0.404 175.665 176.094 -0.041 0.000 1.026 255 V CA -0.798 61.492 62.300 -0.017 0.000 0.868 255 V CB 1.012 32.790 31.823 -0.075 0.000 0.982 255 V HN 0.243 nan 8.190 nan 0.000 0.443 256 H N 4.539 123.340 119.070 -0.449 0.000 2.539 256 H HA 0.486 5.042 4.556 -0.000 0.000 0.332 256 H C -0.981 174.054 175.328 -0.488 0.000 1.031 256 H CA -0.539 55.287 56.048 -0.371 0.000 1.206 256 H CB 1.507 31.113 29.762 -0.260 0.000 1.446 256 H HN 0.478 nan 8.280 nan 0.000 0.496 257 F N 0.687 120.649 119.950 0.020 0.000 2.380 257 F HA 0.112 4.639 4.527 -0.000 0.000 0.319 257 F C 1.050 176.838 175.800 -0.019 0.000 1.113 257 F CA -0.724 57.248 58.000 -0.048 0.000 1.056 257 F CB 0.595 39.546 39.000 -0.082 0.000 1.289 257 F HN 0.642 nan 8.300 nan 0.000 0.515 258 N N -0.493 118.318 118.700 0.186 0.000 2.721 258 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 258 N C -1.059 174.522 175.510 0.117 0.000 1.072 258 N CA 0.471 53.594 53.050 0.122 0.000 0.710 258 N CB -0.954 37.609 38.487 0.126 0.000 0.993 258 N HN 0.629 nan 8.380 nan 0.000 0.547 259 A N 0.787 123.639 122.820 0.053 0.000 2.536 259 A HA 0.413 4.733 4.320 -0.000 0.000 0.329 259 A C -0.112 177.477 177.584 0.008 0.000 1.321 259 A CA -0.420 51.650 52.037 0.055 0.000 0.804 259 A CB 0.759 19.612 19.000 -0.246 0.000 1.126 259 A HN 0.301 nan 8.150 nan 0.000 0.480 260 Q N 2.652 122.518 119.800 0.109 0.000 2.349 260 Q HA 0.466 4.806 4.340 -0.000 0.000 0.254 260 Q C -0.806 175.263 176.000 0.115 0.000 0.980 260 Q CA -0.358 55.492 55.803 0.078 0.000 0.924 260 Q CB 0.945 29.753 28.738 0.117 0.000 1.209 260 Q HN 0.493 nan 8.270 nan 0.000 0.445 261 V N 6.892 126.842 119.914 0.061 0.000 2.585 261 V HA -0.042 4.078 4.120 -0.000 0.000 0.296 261 V C 1.104 177.213 176.094 0.025 0.000 1.035 261 V CA 0.755 63.090 62.300 0.059 0.000 1.084 261 V CB 0.442 32.256 31.823 -0.014 0.000 0.953 261 V HN 0.866 nan 8.190 nan 0.000 0.483 262 I N 0.813 121.386 120.570 0.006 0.000 4.456 262 I HA 0.461 4.631 4.170 -0.000 0.000 0.329 262 I C 0.443 176.507 176.117 -0.089 0.000 1.313 262 I CA 0.020 61.306 61.300 -0.024 0.000 1.205 262 I CB 0.315 38.315 38.000 -0.000 0.000 1.179 262 I HN 0.403 nan 8.210 nan 0.000 0.419 263 K N 2.004 122.332 120.400 -0.121 0.000 2.525 263 K HA 0.697 5.016 4.320 -0.000 0.000 0.254 263 K C -1.416 175.045 176.600 -0.231 0.000 0.934 263 K CA -0.481 55.697 56.287 -0.181 0.000 0.802 263 K CB 3.351 35.790 32.500 -0.102 0.000 1.295 263 K HN 0.026 nan 8.250 nan 0.000 0.433 264 I N 2.738 123.095 120.570 -0.356 0.000 2.512 264 I HA 0.234 4.404 4.170 -0.000 0.000 0.287 264 I C -0.934 175.101 176.117 -0.136 0.000 1.069 264 I CA -0.597 60.531 61.300 -0.287 0.000 1.056 264 I CB 2.156 39.880 38.000 -0.460 0.000 1.229 264 I HN 0.470 nan 8.210 nan 0.000 0.429 265 Q N 5.886 125.657 119.800 -0.049 0.000 2.433 265 Q HA 0.657 4.997 4.340 -0.000 0.000 0.279 265 Q C -1.259 174.753 176.000 0.020 0.000 1.105 265 Q CA -0.937 54.870 55.803 0.007 0.000 0.815 265 Q CB 3.225 31.960 28.738 -0.005 0.000 1.403 265 Q HN 0.609 nan 8.270 nan 0.000 0.435 266 Q N 0.505 120.328 119.800 0.038 0.000 2.482 266 Q HA 0.613 4.953 4.340 -0.000 0.000 0.286 266 Q C -1.560 174.452 176.000 0.021 0.000 1.007 266 Q CA -0.926 54.892 55.803 0.025 0.000 0.801 266 Q CB 1.681 30.445 28.738 0.044 0.000 1.455 266 Q HN 0.687 nan 8.270 nan 0.000 0.398 267 N N -0.293 118.410 118.700 0.005 0.000 3.229 267 N HA 0.329 5.069 4.740 -0.000 0.000 0.315 267 N C -0.589 174.920 175.510 -0.002 0.000 1.520 267 N CA -0.618 52.435 53.050 0.005 0.000 0.769 267 N CB 0.327 38.814 38.487 0.000 0.000 1.766 267 N HN 0.495 nan 8.380 nan 0.000 0.618 268 D N -0.888 119.512 120.400 0.001 0.000 2.263 268 D HA -0.095 4.544 4.640 -0.000 0.000 0.208 268 D C 0.982 177.272 176.300 -0.018 0.000 0.971 268 D CA 1.313 55.314 54.000 0.000 0.000 0.867 268 D CB 0.084 40.889 40.800 0.008 0.000 0.929 268 D HN 0.435 nan 8.370 nan 0.000 0.492 269 Q N -0.440 119.343 119.800 -0.028 0.000 2.387 269 Q HA 0.148 4.488 4.340 -0.000 0.000 0.212 269 Q C 0.632 176.580 176.000 -0.088 0.000 0.925 269 Q CA 0.693 56.468 55.803 -0.048 0.000 0.901 269 Q CB 0.952 29.673 28.738 -0.028 0.000 1.020 269 Q HN 0.135 nan 8.270 nan 0.000 0.545 270 K N 0.502 120.859 120.400 -0.073 0.000 2.439 270 K HA 0.565 4.885 4.320 -0.000 0.000 0.260 270 K C -0.557 176.000 176.600 -0.072 0.000 1.032 270 K CA -0.762 55.470 56.287 -0.092 0.000 0.882 270 K CB 2.344 34.810 32.500 -0.057 0.000 1.420 270 K HN -0.022 nan 8.250 nan 0.000 0.455 271 V N -2.095 117.772 119.914 -0.079 0.000 2.769 271 V HA 0.738 4.858 4.120 -0.000 0.000 0.312 271 V C -0.580 175.484 176.094 -0.051 0.000 1.061 271 V CA -0.447 61.822 62.300 -0.051 0.000 0.931 271 V CB 1.832 33.627 31.823 -0.047 0.000 1.010 271 V HN 0.676 nan 8.190 nan 0.000 0.433 272 T N 3.473 118.005 114.554 -0.037 0.000 2.809 272 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 272 T C -0.549 174.126 174.700 -0.041 0.000 0.992 272 T CA -0.365 61.715 62.100 -0.033 0.000 0.957 272 T CB 1.420 70.274 68.868 -0.023 0.000 0.942 272 T HN 0.745 nan 8.240 nan 0.000 0.439 273 V N 4.153 124.050 119.914 -0.029 0.000 2.384 273 V HA 0.472 4.592 4.120 -0.000 0.000 0.287 273 V C -0.093 176.028 176.094 0.044 0.000 1.020 273 V CA -0.770 61.520 62.300 -0.018 0.000 0.850 273 V CB 1.636 33.444 31.823 -0.026 0.000 0.987 273 V HN 0.691 nan 8.190 nan 0.000 0.436 274 V N 6.422 126.343 119.914 0.012 0.000 2.435 274 V HA 0.598 4.718 4.120 -0.000 0.000 0.290 274 V C -0.643 175.494 176.094 0.072 0.000 1.030 274 V CA -0.577 61.721 62.300 -0.004 0.000 0.881 274 V CB 1.324 33.112 31.823 -0.057 0.000 0.983 274 V HN 0.890 nan 8.190 nan 0.000 0.445 275 Y N 1.321 121.598 120.300 -0.039 0.000 2.553 275 Y HA 0.787 5.336 4.550 -0.000 0.000 0.347 275 Y C -0.376 175.520 175.900 -0.007 0.000 1.019 275 Y CA -1.301 56.782 58.100 -0.029 0.000 1.032 275 Y CB 1.288 39.728 38.460 -0.034 0.000 1.284 275 Y HN 0.589 nan 8.280 nan 0.000 0.466 276 E N 1.333 121.613 120.200 0.134 0.000 2.283 276 E HA 0.513 4.863 4.350 -0.000 0.000 0.267 276 E C -0.419 176.280 176.600 0.164 0.000 1.045 276 E CA -0.625 55.815 56.400 0.067 0.000 0.884 276 E CB 1.683 31.424 29.700 0.069 0.000 1.106 276 E HN 0.836 nan 8.360 nan 0.000 0.408 277 T N -2.161 112.452 114.554 0.098 0.000 2.724 277 T HA 0.330 4.680 4.350 -0.000 0.000 0.274 277 T C 0.939 175.692 174.700 0.088 0.000 0.984 277 T CA -0.832 61.347 62.100 0.132 0.000 1.024 277 T CB 0.241 69.176 68.868 0.113 0.000 1.320 277 T HN 0.350 nan 8.240 nan 0.000 0.555 278 L N 0.973 122.245 121.223 0.082 0.000 2.376 278 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 278 L C 1.770 178.665 176.870 0.042 0.000 1.133 278 L CA 0.591 55.468 54.840 0.061 0.000 0.816 278 L CB -0.486 41.608 42.059 0.057 0.000 0.933 278 L HN 0.827 nan 8.230 nan 0.000 0.449 279 S N -1.446 114.275 115.700 0.036 0.000 2.677 279 S HA 0.258 4.727 4.470 -0.000 0.000 0.290 279 S C 1.011 175.617 174.600 0.011 0.000 1.124 279 S CA -0.770 57.442 58.200 0.020 0.000 1.017 279 S CB 0.970 64.179 63.200 0.015 0.000 1.215 279 S HN -0.102 nan 8.310 nan 0.000 0.524 280 K N 0.656 121.057 120.400 0.002 0.000 2.366 280 K HA 0.165 4.484 4.320 -0.000 0.000 0.198 280 K C 0.618 177.204 176.600 -0.022 0.000 1.044 280 K CA 0.278 56.561 56.287 -0.007 0.000 0.973 280 K CB -0.601 31.895 32.500 -0.008 0.000 0.767 280 K HN 0.760 nan 8.250 nan 0.000 0.475 281 E N 2.076 122.261 120.200 -0.025 0.000 2.415 281 E HA -0.032 4.318 4.350 -0.000 0.000 0.263 281 E C -0.656 175.887 176.600 -0.095 0.000 0.995 281 E CA 0.286 56.654 56.400 -0.052 0.000 0.915 281 E CB 0.446 30.122 29.700 -0.041 0.000 0.951 281 E HN 0.044 nan 8.360 nan 0.000 0.449 282 T N 2.934 117.405 114.554 -0.139 0.000 3.241 282 T HA 0.394 4.744 4.350 -0.000 0.000 0.387 282 T C -2.527 171.978 174.700 -0.325 0.000 1.451 282 T CA -1.934 60.033 62.100 -0.222 0.000 1.363 282 T CB 0.960 69.747 68.868 -0.134 0.000 1.074 282 T HN 0.236 nan 8.240 nan 0.000 0.598 283 P HA 0.299 nan 4.420 nan 0.000 0.269 283 P C -0.294 176.750 177.300 -0.427 0.000 1.217 283 P CA -0.200 62.611 63.100 -0.481 0.000 0.783 283 P CB 0.569 31.929 31.700 -0.567 0.000 0.898 284 S N 0.874 116.474 115.700 -0.167 0.000 2.502 284 S HA 0.558 5.028 4.470 -0.000 0.000 0.304 284 S C -1.198 173.422 174.600 0.033 0.000 1.097 284 S CA -0.729 57.435 58.200 -0.059 0.000 1.045 284 S CB 0.656 63.827 63.200 -0.048 0.000 1.019 284 S HN 0.247 nan 8.310 nan 0.000 0.481 285 V N 4.999 124.962 119.914 0.080 0.000 2.540 285 V HA 0.693 4.813 4.120 -0.000 0.000 0.302 285 V C -0.470 175.644 176.094 0.033 0.000 1.035 285 V CA -0.106 62.252 62.300 0.097 0.000 0.873 285 V CB 1.933 33.836 31.823 0.133 0.000 0.992 285 V HN 0.963 nan 8.190 nan 0.000 0.428 286 T N 6.405 120.990 114.554 0.051 0.000 2.829 286 T HA 0.872 5.222 4.350 -0.000 0.000 0.282 286 T C -0.075 174.628 174.700 0.005 0.000 0.990 286 T CA 0.316 62.426 62.100 0.017 0.000 1.028 286 T CB 1.417 70.306 68.868 0.035 0.000 0.951 286 T HN 1.278 nan 8.240 nan 0.000 0.460 287 A N 1.955 124.713 122.820 -0.102 0.000 2.568 287 A HA 0.641 4.960 4.320 -0.000 0.000 0.291 287 A C 0.216 177.713 177.584 -0.146 0.000 1.159 287 A CA -0.651 51.264 52.037 -0.203 0.000 0.679 287 A CB 0.822 19.463 19.000 -0.599 0.000 1.285 287 A HN 0.664 nan 8.150 nan 0.000 0.428 288 D N -1.132 119.181 120.400 -0.145 0.000 2.183 288 D HA 0.150 4.789 4.640 -0.000 0.000 0.205 288 D C -0.526 175.396 176.300 -0.631 0.000 0.962 288 D CA 1.926 55.722 54.000 -0.339 0.000 0.849 288 D CB 0.149 40.803 40.800 -0.242 0.000 0.978 288 D HN 0.470 nan 8.370 nan 0.000 0.488 289 Y N -1.109 119.160 120.300 -0.051 0.000 2.615 289 Y HA 0.457 5.006 4.550 -0.000 0.000 0.341 289 Y C -0.583 175.273 175.900 -0.072 0.000 1.089 289 Y CA -1.138 56.948 58.100 -0.023 0.000 1.049 289 Y CB 2.411 40.842 38.460 -0.049 0.000 1.296 289 Y HN -0.366 nan 8.280 nan 0.000 0.470 290 V N 3.475 123.484 119.914 0.159 0.000 2.733 290 V HA 0.621 4.741 4.120 -0.000 0.000 0.306 290 V C -1.620 174.491 176.094 0.029 0.000 1.084 290 V CA -0.704 61.613 62.300 0.029 0.000 0.905 290 V CB 1.641 33.455 31.823 -0.015 0.000 1.010 290 V HN 0.665 nan 8.190 nan 0.000 0.424 291 I N 6.887 127.436 120.570 -0.036 0.000 2.382 291 I HA 0.414 4.584 4.170 -0.000 0.000 0.285 291 I C -0.371 175.692 176.117 -0.091 0.000 1.007 291 I CA -0.930 60.336 61.300 -0.058 0.000 1.142 291 I CB 1.889 39.860 38.000 -0.049 0.000 1.289 291 I HN 0.297 nan 8.210 nan 0.000 0.453 292 V N 5.814 125.613 119.914 -0.191 0.000 2.427 292 V HA 0.051 4.171 4.120 -0.000 0.000 0.268 292 V C 0.353 176.498 176.094 0.085 0.000 1.046 292 V CA -0.096 62.168 62.300 -0.060 0.000 0.970 292 V CB 0.883 32.656 31.823 -0.083 0.000 1.001 292 V HN 0.913 nan 8.190 nan 0.000 0.476 293 C N 3.721 123.078 119.300 0.095 0.000 2.741 293 C HA 0.303 4.763 4.460 -0.000 0.000 0.267 293 C C 1.354 176.437 174.990 0.155 0.000 1.549 293 C CA -0.387 58.701 59.018 0.118 0.000 1.772 293 C CB -1.203 26.564 27.740 0.045 0.000 2.962 293 C HN 0.960 nan 8.230 nan 0.000 0.514 294 T N -1.255 113.430 114.554 0.218 0.000 2.852 294 T HA 0.530 4.880 4.350 -0.000 0.000 0.281 294 T C 0.478 175.355 174.700 0.295 0.000 0.993 294 T CA -0.024 62.196 62.100 0.201 0.000 0.933 294 T CB 0.733 69.703 68.868 0.171 0.000 1.187 294 T HN 0.403 nan 8.240 nan 0.000 0.559 295 T N -0.638 114.038 114.554 0.203 0.000 2.813 295 T HA 0.245 4.594 4.350 -0.000 0.000 0.297 295 T C 1.705 176.398 174.700 -0.011 0.000 1.036 295 T CA -0.197 62.013 62.100 0.183 0.000 1.044 295 T CB 0.474 69.358 68.868 0.026 0.000 0.993 295 T HN 0.830 nan 8.240 nan 0.000 0.535 296 S N 1.275 116.740 115.700 -0.393 0.000 2.383 296 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 296 S C 2.007 176.437 174.600 -0.284 0.000 1.030 296 S CA 0.662 58.424 58.200 -0.729 0.000 1.002 296 S CB -0.545 62.053 63.200 -1.004 0.000 0.829 296 S HN 0.743 nan 8.310 nan 0.000 0.467 297 R N 1.552 121.916 120.500 -0.227 0.000 2.092 297 R HA 0.120 4.460 4.340 -0.000 0.000 0.231 297 R C 2.715 178.977 176.300 -0.062 0.000 1.119 297 R CA 1.172 57.179 56.100 -0.154 0.000 0.970 297 R CB -0.732 29.440 30.300 -0.213 0.000 0.864 297 R HN 0.564 nan 8.270 nan 0.000 0.440 298 A N 0.686 123.490 122.820 -0.027 0.000 2.019 298 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 298 A C 2.266 179.914 177.584 0.107 0.000 1.164 298 A CA 1.119 53.189 52.037 0.056 0.000 0.644 298 A CB -0.345 18.713 19.000 0.097 0.000 0.805 298 A HN 0.112 nan 8.150 nan 0.000 0.449 299 V N 0.129 120.115 119.914 0.121 0.000 2.407 299 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 299 V C 2.458 178.706 176.094 0.256 0.000 1.055 299 V CA 2.150 64.599 62.300 0.249 0.000 1.049 299 V CB -0.824 31.137 31.823 0.231 0.000 0.662 299 V HN 0.556 nan 8.190 nan 0.000 0.455 300 R N -0.325 120.246 120.500 0.117 0.000 2.285 300 R HA 0.008 4.348 4.340 -0.000 0.000 0.213 300 R C 1.974 178.339 176.300 0.109 0.000 1.068 300 R CA 0.844 57.004 56.100 0.099 0.000 1.004 300 R CB -0.258 30.055 30.300 0.021 0.000 0.873 300 R HN 0.457 nan 8.270 nan 0.000 0.467 301 L N 0.452 121.737 121.223 0.104 0.000 2.446 301 L HA 0.123 4.463 4.340 -0.000 0.000 0.219 301 L C 0.768 177.683 176.870 0.075 0.000 1.116 301 L CA 0.194 55.080 54.840 0.077 0.000 0.844 301 L CB 0.083 42.182 42.059 0.067 0.000 0.970 301 L HN 0.071 nan 8.230 nan 0.000 0.457 302 I N 0.753 121.388 120.570 0.109 0.000 2.395 302 I HA 0.060 4.230 4.170 -0.000 0.000 0.289 302 I C 0.499 176.601 176.117 -0.026 0.000 1.023 302 I CA -0.158 61.130 61.300 -0.019 0.000 1.350 302 I CB 1.107 39.025 38.000 -0.136 0.000 1.409 302 I HN -0.022 nan 8.210 nan 0.000 0.507 303 K N 6.620 126.955 120.400 -0.109 0.000 2.316 303 K HA 0.351 4.671 4.320 -0.000 0.000 0.289 303 K C -1.322 175.185 176.600 -0.155 0.000 1.070 303 K CA -0.224 56.043 56.287 -0.032 0.000 0.928 303 K CB 0.455 32.943 32.500 -0.021 0.000 1.039 303 K HN 0.278 nan 8.250 nan 0.000 0.480 304 F N 3.008 122.984 119.950 0.043 0.000 2.421 304 F HA 0.310 4.837 4.527 -0.000 0.000 0.337 304 F C 0.317 176.138 175.800 0.035 0.000 1.105 304 F CA -0.590 57.439 58.000 0.048 0.000 1.049 304 F CB 1.602 40.645 39.000 0.072 0.000 1.139 304 F HN 0.544 nan 8.300 nan 0.000 0.479 305 N N 4.367 123.176 118.700 0.182 0.000 2.533 305 N HA 0.333 5.073 4.740 -0.000 0.000 0.289 305 N C -2.953 172.620 175.510 0.106 0.000 1.103 305 N CA -1.786 51.333 53.050 0.115 0.000 0.877 305 N CB 1.927 40.448 38.487 0.057 0.000 1.419 305 N HN 0.172 nan 8.380 nan 0.000 0.517 306 P HA 0.201 nan 4.420 nan 0.000 0.272 306 P C -2.773 174.611 177.300 0.141 0.000 1.230 306 P CA -0.872 62.286 63.100 0.096 0.000 0.788 306 P CB 0.301 32.040 31.700 0.065 0.000 0.949 307 P HA 0.104 nan 4.420 nan 0.000 0.270 307 P C 0.048 177.370 177.300 0.038 0.000 1.223 307 P CA 0.007 63.180 63.100 0.122 0.000 0.785 307 P CB 0.589 32.336 31.700 0.079 0.000 0.923 308 L N 1.483 122.668 121.223 -0.065 0.000 2.453 308 L HA 0.087 4.427 4.340 -0.000 0.000 0.272 308 L C 1.188 178.003 176.870 -0.093 0.000 1.182 308 L CA -0.290 54.447 54.840 -0.172 0.000 0.858 308 L CB -0.416 41.426 42.059 -0.361 0.000 1.120 308 L HN 0.276 nan 8.230 nan 0.000 0.474 309 L N 4.726 125.904 121.223 -0.076 0.000 2.499 309 L HA -0.023 4.316 4.340 -0.000 0.000 0.281 309 L C -1.118 175.723 176.870 -0.050 0.000 1.234 309 L CA -1.120 53.693 54.840 -0.045 0.000 0.839 309 L CB -0.108 41.931 42.059 -0.033 0.000 1.104 309 L HN 0.466 nan 8.230 nan 0.000 0.500 310 P HA -0.229 nan 4.420 nan 0.000 0.217 310 P C 1.116 178.427 177.300 0.017 0.000 1.162 310 P CA 1.631 64.730 63.100 -0.001 0.000 0.901 310 P CB 0.138 31.847 31.700 0.016 0.000 0.793 311 K N -0.347 120.057 120.400 0.008 0.000 2.026 311 K HA -0.183 4.136 4.320 -0.000 0.000 0.208 311 K C 2.223 178.794 176.600 -0.047 0.000 1.048 311 K CA 1.452 57.742 56.287 0.006 0.000 0.929 311 K CB -0.346 32.145 32.500 -0.016 0.000 0.713 311 K HN 0.107 nan 8.250 nan 0.000 0.439 312 K N 0.939 121.279 120.400 -0.101 0.000 2.057 312 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 312 K C 2.158 178.635 176.600 -0.205 0.000 1.050 312 K CA 1.193 57.367 56.287 -0.189 0.000 0.935 312 K CB -0.107 32.236 32.500 -0.260 0.000 0.715 312 K HN 0.110 nan 8.250 nan 0.000 0.439 313 A N 1.154 123.886 122.820 -0.146 0.000 1.883 313 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 313 A C 2.129 179.659 177.584 -0.089 0.000 1.186 313 A CA 1.938 53.901 52.037 -0.124 0.000 0.624 313 A CB -1.048 17.905 19.000 -0.080 0.000 0.822 313 A HN 0.540 nan 8.150 nan 0.000 0.444 314 H N 0.255 119.223 119.070 -0.171 0.000 2.321 314 H HA 0.004 4.559 4.556 -0.000 0.000 0.300 314 H C 2.325 177.360 175.328 -0.488 0.000 1.087 314 H CA 1.686 57.623 56.048 -0.185 0.000 1.319 314 H CB -0.642 29.108 29.762 -0.020 0.000 1.379 314 H HN 0.381 nan 8.280 nan 0.000 0.501 315 A N 0.915 123.394 122.820 -0.569 0.000 1.883 315 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 315 A C 2.866 180.040 177.584 -0.685 0.000 1.186 315 A CA 1.609 52.952 52.037 -1.156 0.000 0.624 315 A CB -1.006 17.624 19.000 -0.617 0.000 0.822 315 A HN 0.448 nan 8.150 nan 0.000 0.444 316 L N -1.157 119.827 121.223 -0.397 0.000 2.131 316 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 316 L C 2.780 179.514 176.870 -0.227 0.000 1.092 316 L CA 1.751 56.404 54.840 -0.311 0.000 0.759 316 L CB -0.433 41.473 42.059 -0.255 0.000 0.903 316 L HN 0.528 nan 8.230 nan 0.000 0.435 317 R N -0.275 120.117 120.500 -0.180 0.000 2.062 317 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 317 R C 2.194 178.458 176.300 -0.061 0.000 1.128 317 R CA 1.743 57.791 56.100 -0.087 0.000 0.960 317 R CB -0.029 30.248 30.300 -0.038 0.000 0.855 317 R HN 0.145 nan 8.270 nan 0.000 0.432 318 S N 0.052 115.675 115.700 -0.129 0.000 2.478 318 S HA 0.119 4.589 4.470 -0.000 0.000 0.222 318 S C 0.343 174.901 174.600 -0.070 0.000 1.008 318 S CA -0.058 58.108 58.200 -0.057 0.000 0.928 318 S CB 0.485 63.707 63.200 0.037 0.000 0.781 318 S HN 0.072 nan 8.310 nan 0.000 0.518 319 V N 3.726 123.483 119.914 -0.261 0.000 2.539 319 V HA -0.058 4.061 4.120 -0.000 0.000 0.300 319 V C 0.424 176.579 176.094 0.101 0.000 1.019 319 V CA 0.383 62.590 62.300 -0.155 0.000 1.160 319 V CB -0.528 31.170 31.823 -0.208 0.000 0.901 319 V HN 0.428 nan 8.190 nan 0.000 0.481 320 H N 5.157 124.255 119.070 0.047 0.000 2.551 320 H HA 0.475 5.031 4.556 -0.000 0.000 0.358 320 H C -1.018 174.346 175.328 0.060 0.000 1.151 320 H CA -0.002 56.133 56.048 0.146 0.000 1.374 320 H CB 0.588 30.456 29.762 0.177 0.000 1.473 320 H HN 0.541 nan 8.280 nan 0.000 0.574 321 Y N 1.500 121.498 120.300 -0.503 0.000 2.477 321 Y HA 0.305 4.855 4.550 -0.000 0.000 0.347 321 Y C -0.222 175.423 175.900 -0.425 0.000 0.981 321 Y CA -1.013 56.905 58.100 -0.305 0.000 1.033 321 Y CB 1.432 39.795 38.460 -0.162 0.000 1.245 321 Y HN 0.659 nan 8.280 nan 0.000 0.455 322 R N 0.875 121.363 120.500 -0.019 0.000 2.532 322 R HA 0.763 5.103 4.340 -0.000 0.000 0.295 322 R C -0.730 175.636 176.300 0.110 0.000 0.968 322 R CA -0.695 55.438 56.100 0.056 0.000 0.916 322 R CB 1.419 31.768 30.300 0.081 0.000 1.124 322 R HN 0.555 nan 8.270 nan 0.000 0.463 323 S N 0.484 116.268 115.700 0.140 0.000 2.584 323 S HA 0.457 4.927 4.470 -0.000 0.000 0.270 323 S C 0.084 174.800 174.600 0.193 0.000 1.346 323 S CA 0.176 58.483 58.200 0.177 0.000 1.018 323 S CB 1.216 64.527 63.200 0.184 0.000 0.899 323 S HN 0.777 nan 8.310 nan 0.000 0.542 324 G N 0.894 109.858 108.800 0.275 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 -1.185 173.974 174.900 0.432 0.000 1.456 324 G CA -0.440 44.874 45.100 0.357 0.000 1.214 324 G HN 0.559 nan 8.290 nan 0.000 0.568 325 T N 2.114 116.887 114.554 0.364 0.000 2.881 325 T HA 0.526 4.876 4.350 -0.000 0.000 0.290 325 T C -0.420 174.376 174.700 0.160 0.000 1.000 325 T CA -0.592 61.641 62.100 0.221 0.000 0.978 325 T CB 1.795 70.742 68.868 0.133 0.000 0.997 325 T HN 0.404 nan 8.240 nan 0.000 0.443 326 K N 2.886 123.299 120.400 0.022 0.000 2.345 326 K HA 0.611 4.930 4.320 -0.000 0.000 0.255 326 K C -0.933 175.447 176.600 -0.366 0.000 0.934 326 K CA -0.674 55.473 56.287 -0.234 0.000 0.801 326 K CB 2.210 34.505 32.500 -0.342 0.000 1.137 326 K HN 0.489 nan 8.250 nan 0.000 0.424 327 I N 3.905 124.142 120.570 -0.554 0.000 2.355 327 I HA 0.319 4.489 4.170 -0.000 0.000 0.288 327 I C -0.892 174.882 176.117 -0.570 0.000 0.999 327 I CA -0.763 60.258 61.300 -0.465 0.000 1.163 327 I CB 0.638 38.324 38.000 -0.525 0.000 1.316 327 I HN 0.357 nan 8.210 nan 0.000 0.454 328 F N 6.532 126.333 119.950 -0.249 0.000 2.420 328 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 328 F C -0.071 175.543 175.800 -0.309 0.000 1.113 328 F CA -0.668 57.190 58.000 -0.236 0.000 1.059 328 F CB 1.108 40.015 39.000 -0.156 0.000 1.128 328 F HN 0.120 nan 8.300 nan 0.000 0.475 329 L N 3.129 124.242 121.223 -0.183 0.000 2.333 329 L HA 0.469 4.809 4.340 -0.000 0.000 0.280 329 L C -0.399 176.289 176.870 -0.303 0.000 1.004 329 L CA -0.550 54.133 54.840 -0.262 0.000 0.820 329 L CB 1.939 43.865 42.059 -0.221 0.000 1.247 329 L HN 0.569 nan 8.230 nan 0.000 0.416 330 T N 2.003 116.214 114.554 -0.572 0.000 2.733 330 T HA 0.369 4.718 4.350 -0.000 0.000 0.294 330 T C -0.238 174.291 174.700 -0.285 0.000 0.956 330 T CA -0.254 61.442 62.100 -0.673 0.000 0.987 330 T CB 0.460 68.567 68.868 -1.268 0.000 0.920 330 T HN 0.534 nan 8.240 nan 0.000 0.470 331 c N 2.906 121.482 118.600 -0.041 0.000 2.456 331 c HA 0.552 5.122 4.570 -0.000 0.000 0.325 331 c C 1.948 176.104 174.090 0.110 0.000 1.217 331 c CA -0.811 55.613 56.329 0.159 0.000 1.687 331 c CB 1.144 43.865 42.510 0.351 0.000 2.270 331 c HN 1.012 nan 8.230 nan 0.000 0.499 332 T N -2.311 112.326 114.554 0.137 0.000 3.060 332 T HA 0.095 4.445 4.350 -0.000 0.000 0.249 332 T C 0.442 175.136 174.700 -0.009 0.000 1.079 332 T CA 0.399 62.550 62.100 0.085 0.000 1.013 332 T CB -0.123 68.820 68.868 0.124 0.000 0.975 332 T HN 0.642 nan 8.240 nan 0.000 0.518 333 T N 2.663 117.180 114.554 -0.062 0.000 2.892 333 T HA 0.339 4.689 4.350 -0.000 0.000 0.311 333 T C -0.464 173.970 174.700 -0.444 0.000 1.033 333 T CA -0.736 61.171 62.100 -0.323 0.000 0.991 333 T CB 1.361 69.807 68.868 -0.703 0.000 0.981 333 T HN 0.170 nan 8.240 nan 0.000 0.457 334 K N 3.546 123.528 120.400 -0.697 0.000 2.278 334 K HA 0.136 4.455 4.320 -0.000 0.000 0.237 334 K C 1.131 176.816 176.600 -1.524 0.000 1.229 334 K CA -0.274 55.055 56.287 -1.596 0.000 1.155 334 K CB -0.423 31.263 32.500 -1.356 0.000 1.590 334 K HN 0.689 nan 8.250 nan 0.000 0.290 335 F N -0.541 118.861 119.950 -0.913 0.000 2.192 335 F HA -0.215 4.311 4.527 -0.000 0.000 0.301 335 F C 1.572 177.167 175.800 -0.341 0.000 1.079 335 F CA 0.460 58.161 58.000 -0.498 0.000 1.303 335 F CB -0.848 38.048 39.000 -0.174 0.000 1.024 335 F HN 0.422 nan 8.300 nan 0.000 0.494 336 W N 1.427 122.248 121.300 -0.799 0.000 2.392 336 W HA 0.030 4.690 4.660 -0.000 0.000 0.279 336 W C 1.561 177.866 176.519 -0.357 0.000 1.225 336 W CA 1.003 58.030 57.345 -0.531 0.000 1.233 336 W CB -1.272 27.764 29.460 -0.707 0.000 1.122 336 W HN 0.108 nan 8.180 nan 0.000 0.561 337 E N 0.929 120.693 120.200 -0.726 0.000 2.265 337 E HA -0.182 4.167 4.350 -0.000 0.000 0.196 337 E C 1.305 177.742 176.600 -0.272 0.000 0.996 337 E CA 1.314 57.382 56.400 -0.554 0.000 0.832 337 E CB -0.375 28.992 29.700 -0.555 0.000 0.756 337 E HN 0.343 nan 8.360 nan 0.000 0.491 338 D N 1.084 121.380 120.400 -0.174 0.000 2.310 338 D HA -0.101 4.538 4.640 -0.000 0.000 0.212 338 D C 0.841 177.164 176.300 0.038 0.000 0.965 338 D CA 0.835 54.811 54.000 -0.040 0.000 0.879 338 D CB -0.054 40.755 40.800 0.015 0.000 0.921 338 D HN 0.121 nan 8.370 nan 0.000 0.510 339 D N -0.681 119.757 120.400 0.063 0.000 2.349 339 D HA 0.152 4.792 4.640 -0.000 0.000 0.214 339 D C 1.424 177.695 176.300 -0.049 0.000 1.063 339 D CA 0.290 54.362 54.000 0.120 0.000 0.847 339 D CB 0.621 41.625 40.800 0.339 0.000 0.933 339 D HN 0.203 nan 8.370 nan 0.000 0.513 340 G N 1.302 110.042 108.800 -0.100 0.000 2.136 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 340 G C 0.266 175.037 174.900 -0.216 0.000 0.989 340 G CA -0.259 44.780 45.100 -0.102 0.000 0.682 340 G HN 0.357 nan 8.290 nan 0.000 0.522 341 I N 1.518 121.861 120.570 -0.378 0.000 2.342 341 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 341 I C 0.098 175.846 176.117 -0.615 0.000 1.010 341 I CA -0.600 60.447 61.300 -0.421 0.000 1.308 341 I CB 0.868 38.570 38.000 -0.497 0.000 1.400 341 I HN 0.087 nan 8.210 nan 0.000 0.488 342 H N 5.362 124.391 119.070 -0.069 0.000 2.974 342 H HA 0.392 4.947 4.556 -0.000 0.000 0.285 342 H C 0.289 175.584 175.328 -0.055 0.000 1.227 342 H CA -0.193 55.843 56.048 -0.020 0.000 1.569 342 H CB 1.377 31.117 29.762 -0.038 0.000 1.648 342 H HN 0.909 nan 8.280 nan 0.000 0.521 343 G N 1.157 109.964 108.800 0.012 0.000 2.796 343 G HA2 0.224 4.184 3.960 -0.000 0.000 0.571 343 G HA3 0.224 4.184 3.960 -0.000 0.000 0.571 343 G C 0.214 175.085 174.900 -0.048 0.000 1.370 343 G CA -0.184 44.876 45.100 -0.067 0.000 0.856 343 G HN 1.334 nan 8.290 nan 0.000 0.538 344 G N -0.798 107.943 108.800 -0.098 0.000 2.660 344 G HA2 0.497 4.456 3.960 -0.000 0.000 0.215 344 G HA3 0.497 4.456 3.960 -0.000 0.000 0.215 344 G C -0.196 174.701 174.900 -0.005 0.000 1.345 344 G CA 0.977 46.048 45.100 -0.049 0.000 0.877 344 G HN 2.605 nan 8.290 nan 0.000 0.549 345 K N -1.797 118.561 120.400 -0.070 0.000 2.556 345 K HA 0.775 5.094 4.320 -0.000 0.000 0.274 345 K C -0.827 175.734 176.600 -0.065 0.000 0.966 345 K CA -0.675 55.487 56.287 -0.207 0.000 0.865 345 K CB 1.653 33.688 32.500 -0.774 0.000 1.444 345 K HN 0.743 nan 8.250 nan 0.000 0.433 346 S N 0.457 116.146 115.700 -0.017 0.000 2.549 346 S HA 0.522 4.992 4.470 -0.000 0.000 0.297 346 S C -0.955 173.563 174.600 -0.137 0.000 1.115 346 S CA -0.546 57.647 58.200 -0.012 0.000 1.059 346 S CB 1.695 65.009 63.200 0.190 0.000 1.046 346 S HN 0.547 nan 8.310 nan 0.000 0.506 347 T N 1.938 116.365 114.554 -0.211 0.000 2.841 347 T HA 0.687 5.037 4.350 -0.000 0.000 0.283 347 T C -0.329 174.298 174.700 -0.122 0.000 1.000 347 T CA -0.484 61.456 62.100 -0.267 0.000 0.977 347 T CB 1.733 70.509 68.868 -0.152 0.000 0.979 347 T HN 0.559 nan 8.240 nan 0.000 0.446 348 T N 0.497 114.903 114.554 -0.247 0.000 2.843 348 T HA 0.416 4.766 4.350 -0.000 0.000 0.302 348 T C -0.607 174.011 174.700 -0.136 0.000 1.232 348 T CA -0.729 61.338 62.100 -0.055 0.000 1.009 348 T CB 1.431 70.327 68.868 0.047 0.000 1.254 348 T HN 0.588 nan 8.240 nan 0.000 0.504 349 D N 1.486 121.862 120.400 -0.040 0.000 2.340 349 D HA 0.226 4.865 4.640 -0.000 0.000 0.217 349 D C 0.808 177.061 176.300 -0.077 0.000 1.081 349 D CA -0.117 53.841 54.000 -0.069 0.000 0.842 349 D CB -0.240 40.536 40.800 -0.040 0.000 0.934 349 D HN 0.369 nan 8.370 nan 0.000 0.511 350 L N 0.217 121.417 121.223 -0.037 0.000 2.472 350 L HA 0.191 4.531 4.340 -0.000 0.000 0.260 350 L C -1.078 175.702 176.870 -0.151 0.000 1.209 350 L CA -1.703 53.100 54.840 -0.062 0.000 0.817 350 L CB 0.468 42.531 42.059 0.006 0.000 1.106 350 L HN -0.240 nan 8.230 nan 0.000 0.479 351 P HA -0.156 nan 4.420 nan 0.000 0.217 351 P C 1.395 178.719 177.300 0.041 0.000 1.148 351 P CA 1.183 64.071 63.100 -0.353 0.000 0.828 351 P CB 0.208 31.511 31.700 -0.663 0.000 0.783 352 S N -1.412 114.351 115.700 0.105 0.000 2.419 352 S HA -0.156 4.313 4.470 -0.000 0.000 0.233 352 S C 1.230 175.847 174.600 0.028 0.000 1.016 352 S CA 0.868 59.140 58.200 0.121 0.000 0.974 352 S CB -0.445 62.766 63.200 0.019 0.000 0.786 352 S HN 0.032 nan 8.310 nan 0.000 0.492 353 R N -0.968 119.469 120.500 -0.105 0.000 1.258 353 R HA -0.228 4.111 4.340 -0.000 0.000 0.031 353 R C -0.505 175.363 176.300 -0.720 0.000 0.958 353 R CA 2.109 57.993 56.100 -0.360 0.000 1.916 353 R CB -1.470 28.728 30.300 -0.170 0.000 0.240 353 R HN 0.500 nan 8.270 nan 0.000 0.707 354 F N 0.473 120.400 119.950 -0.038 0.000 2.539 354 F HA 0.515 5.042 4.527 -0.000 0.000 0.318 354 F C 0.172 175.900 175.800 -0.119 0.000 1.135 354 F CA -0.914 57.026 58.000 -0.101 0.000 0.915 354 F CB 1.608 40.578 39.000 -0.050 0.000 1.176 354 F HN -0.151 nan 8.300 nan 0.000 0.440 355 I N 4.049 124.534 120.570 -0.141 0.000 2.339 355 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 355 I C -0.831 174.904 176.117 -0.636 0.000 0.994 355 I CA -1.036 60.070 61.300 -0.324 0.000 1.191 355 I CB 0.824 38.616 38.000 -0.347 0.000 1.343 355 I HN 0.500 nan 8.210 nan 0.000 0.458 356 Y N 5.988 125.985 120.300 -0.504 0.000 2.330 356 Y HA 0.424 4.973 4.550 -0.000 0.000 0.336 356 Y C -0.282 175.160 175.900 -0.763 0.000 1.036 356 Y CA -0.335 57.486 58.100 -0.464 0.000 1.125 356 Y CB 1.290 39.666 38.460 -0.140 0.000 1.194 356 Y HN 0.341 nan 8.280 nan 0.000 0.469 357 Y N 4.062 124.194 120.300 -0.279 0.000 2.361 357 Y HA 0.383 4.933 4.550 -0.000 0.000 0.332 357 Y C -2.068 173.605 175.900 -0.379 0.000 1.101 357 Y CA -3.030 54.746 58.100 -0.540 0.000 1.137 357 Y CB 0.682 38.769 38.460 -0.622 0.000 1.207 357 Y HN 0.426 nan 8.280 nan 0.000 0.463 358 P HA -0.051 nan 4.420 nan 0.000 0.266 358 P C -0.404 176.738 177.300 -0.263 0.000 1.195 358 P CA 0.194 63.101 63.100 -0.322 0.000 0.768 358 P CB 0.969 32.430 31.700 -0.399 0.000 0.838 359 N N 0.810 119.332 118.700 -0.296 0.000 2.236 359 N HA 0.019 4.759 4.740 -0.000 0.000 0.196 359 N C 0.508 175.998 175.510 -0.035 0.000 1.114 359 N CA 0.190 53.165 53.050 -0.125 0.000 0.859 359 N CB 0.165 38.602 38.487 -0.083 0.000 0.982 359 N HN 0.671 nan 8.380 nan 0.000 0.493 360 H N -1.471 117.547 119.070 -0.086 0.000 2.894 360 H HA 0.446 5.002 4.556 -0.000 0.000 0.368 360 H C -0.908 174.257 175.328 -0.272 0.000 1.181 360 H CA -0.711 55.248 56.048 -0.148 0.000 1.146 360 H CB 0.946 30.611 29.762 -0.161 0.000 1.839 360 H HN -0.228 nan 8.280 nan 0.000 0.557 361 N N 0.425 119.046 118.700 -0.131 0.000 2.404 361 N HA 0.360 5.100 4.740 -0.000 0.000 0.297 361 N C -1.129 174.259 175.510 -0.203 0.000 1.163 361 N CA -0.406 52.547 53.050 -0.161 0.000 0.864 361 N CB 2.050 40.526 38.487 -0.018 0.000 1.247 361 N HN 0.400 nan 8.380 nan 0.000 0.510 362 F N -0.008 120.034 119.950 0.154 0.000 2.482 362 F HA 0.220 4.747 4.527 -0.000 0.000 0.331 362 F C 1.824 177.700 175.800 0.126 0.000 1.115 362 F CA -0.751 57.350 58.000 0.168 0.000 0.955 362 F CB 1.798 40.916 39.000 0.197 0.000 1.136 362 F HN 0.378 nan 8.300 nan 0.000 0.452 363 T N 0.760 115.506 114.554 0.320 0.000 2.624 363 T HA -0.320 4.029 4.350 -0.000 0.000 0.266 363 T C 1.525 176.325 174.700 0.167 0.000 1.050 363 T CA 2.364 64.582 62.100 0.197 0.000 1.163 363 T CB -0.421 68.547 68.868 0.167 0.000 0.861 363 T HN 0.657 nan 8.240 nan 0.000 0.443 364 N N 1.169 119.983 118.700 0.191 0.000 2.571 364 N HA 0.190 4.930 4.740 -0.000 0.000 0.189 364 N C 1.224 176.816 175.510 0.136 0.000 1.154 364 N CA 0.902 54.042 53.050 0.150 0.000 0.907 364 N CB -0.714 37.868 38.487 0.157 0.000 0.977 364 N HN 0.578 nan 8.380 nan 0.000 0.449 365 G N -1.459 107.431 108.800 0.149 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 0.110 0.000 0.977 365 G CA 0.261 45.418 45.100 0.095 0.000 0.652 365 G HN 0.333 nan 8.290 nan 0.000 0.531 366 V N 0.564 120.601 119.914 0.204 0.000 2.715 366 V HA 0.601 4.721 4.120 -0.000 0.000 0.299 366 V C 1.085 177.354 176.094 0.292 0.000 1.054 366 V CA 0.796 63.216 62.300 0.201 0.000 1.077 366 V CB 1.545 33.474 31.823 0.175 0.000 0.972 366 V HN 0.965 nan 8.190 nan 0.000 0.484 367 G N 3.034 111.966 108.800 0.220 0.000 2.617 367 G HA2 0.599 4.558 3.960 -0.000 0.000 0.306 367 G HA3 0.599 4.558 3.960 -0.000 0.000 0.306 367 G C -1.500 173.541 174.900 0.235 0.000 1.360 367 G CA -0.420 44.875 45.100 0.326 0.000 0.983 367 G HN 0.544 nan 8.290 nan 0.000 0.496 368 V N 3.512 123.491 119.914 0.109 0.000 2.384 368 V HA 0.486 4.605 4.120 -0.000 0.000 0.287 368 V C 0.374 176.357 176.094 -0.186 0.000 1.020 368 V CA -0.640 61.634 62.300 -0.043 0.000 0.850 368 V CB 0.911 32.766 31.823 0.054 0.000 0.987 368 V HN 0.737 nan 8.190 nan 0.000 0.436 369 I N 3.195 123.571 120.570 -0.323 0.000 2.607 369 I HA 0.749 4.919 4.170 -0.000 0.000 0.305 369 I C -0.738 175.152 176.117 -0.378 0.000 0.995 369 I CA -0.784 60.202 61.300 -0.524 0.000 1.148 369 I CB 1.894 39.435 38.000 -0.766 0.000 1.323 369 I HN 0.379 nan 8.210 nan 0.000 0.461 370 I N 3.417 123.739 120.570 -0.414 0.000 2.533 370 I HA 0.603 4.773 4.170 -0.000 0.000 0.290 370 I C -0.181 175.754 176.117 -0.303 0.000 1.056 370 I CA -0.797 60.228 61.300 -0.458 0.000 1.057 370 I CB 2.050 39.760 38.000 -0.484 0.000 1.240 370 I HN 0.763 nan 8.210 nan 0.000 0.423 371 A N 5.576 128.198 122.820 -0.329 0.000 2.260 371 A HA 0.645 4.965 4.320 -0.000 0.000 0.314 371 A C -1.466 176.078 177.584 -0.066 0.000 1.257 371 A CA -0.260 51.676 52.037 -0.169 0.000 0.871 371 A CB 0.476 19.331 19.000 -0.241 0.000 1.166 371 A HN 0.599 nan 8.150 nan 0.000 0.522 372 Y N 1.970 122.259 120.300 -0.018 0.000 2.346 372 Y HA 0.617 5.166 4.550 -0.000 0.000 0.332 372 Y C 0.012 176.011 175.900 0.165 0.000 0.985 372 Y CA -1.084 57.027 58.100 0.018 0.000 1.112 372 Y CB 1.462 39.923 38.460 0.002 0.000 1.170 372 Y HN 0.839 nan 8.280 nan 0.000 0.447 373 G N 5.936 114.796 108.800 0.101 0.000 2.574 373 G HA2 0.675 4.635 3.960 -0.000 0.000 0.299 373 G HA3 0.675 4.635 3.960 -0.000 0.000 0.299 373 G C -1.477 173.385 174.900 -0.062 0.000 1.298 373 G CA -1.007 44.093 45.100 -0.000 0.000 0.952 373 G HN 0.863 nan 8.290 nan 0.000 0.477 374 I N -1.486 119.030 120.570 -0.091 0.000 3.002 374 I HA 0.899 5.069 4.170 -0.000 0.000 0.310 374 I C 0.908 177.053 176.117 0.047 0.000 1.087 374 I CA -0.418 60.861 61.300 -0.034 0.000 1.017 374 I CB 1.879 39.782 38.000 -0.161 0.000 1.226 374 I HN 1.333 nan 8.210 nan 0.000 0.443 375 G N 2.768 111.622 108.800 0.090 0.000 2.582 375 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.288 375 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.288 375 G C 0.333 175.344 174.900 0.184 0.000 1.247 375 G CA 0.861 46.047 45.100 0.144 0.000 0.972 375 G HN 0.839 nan 8.290 nan 0.000 0.557 376 D N 0.718 121.243 120.400 0.209 0.000 2.265 376 D HA -0.019 4.620 4.640 -0.000 0.000 0.208 376 D C 2.027 178.443 176.300 0.193 0.000 0.977 376 D CA 1.394 55.520 54.000 0.210 0.000 0.871 376 D CB -0.261 40.672 40.800 0.221 0.000 0.925 376 D HN 0.416 nan 8.370 nan 0.000 0.485 377 D N 0.068 120.564 120.400 0.160 0.000 2.144 377 D HA -0.076 4.563 4.640 -0.000 0.000 0.200 377 D C 1.987 178.458 176.300 0.284 0.000 0.978 377 D CA 1.098 55.192 54.000 0.157 0.000 0.833 377 D CB -0.104 40.768 40.800 0.121 0.000 0.961 377 D HN 0.166 nan 8.370 nan 0.000 0.470 378 A N 1.123 124.108 122.820 0.274 0.000 1.897 378 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 378 A C 1.921 179.719 177.584 0.355 0.000 1.181 378 A CA 0.931 53.178 52.037 0.351 0.000 0.620 378 A CB -0.358 18.795 19.000 0.256 0.000 0.821 378 A HN 0.090 nan 8.150 nan 0.000 0.443 379 N N -0.704 118.152 118.700 0.260 0.000 2.348 379 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 379 N C 1.282 176.894 175.510 0.170 0.000 1.019 379 N CA 1.184 54.355 53.050 0.201 0.000 0.880 379 N CB -0.621 37.969 38.487 0.172 0.000 0.965 379 N HN 0.555 nan 8.380 nan 0.000 0.437 380 F N 0.784 120.747 119.950 0.023 0.000 2.120 380 F HA -0.171 4.356 4.527 -0.001 0.000 0.300 380 F C 1.493 177.170 175.800 -0.204 0.000 1.095 380 F CA 1.443 59.349 58.000 -0.158 0.000 1.249 380 F CB -0.314 38.469 39.000 -0.362 0.000 0.995 380 F HN -0.086 nan 8.300 nan 0.000 0.480 381 F N -0.203 119.825 119.950 0.128 0.000 2.789 381 F HA 0.037 4.563 4.527 -0.000 0.000 0.300 381 F C 2.345 178.135 175.800 -0.017 0.000 1.132 381 F CA 0.547 58.563 58.000 0.028 0.000 1.404 381 F CB -0.888 38.169 39.000 0.094 0.000 1.114 381 F HN 0.017 nan 8.300 nan 0.000 0.584 382 Q N 1.072 120.968 119.800 0.160 0.000 2.096 382 Q HA -0.261 4.079 4.340 -0.000 0.000 0.208 382 Q C 2.164 178.193 176.000 0.049 0.000 0.993 382 Q CA 2.168 58.032 55.803 0.100 0.000 0.862 382 Q CB -0.201 28.586 28.738 0.082 0.000 0.915 382 Q HN 0.404 nan 8.270 nan 0.000 0.416 383 A N -0.423 122.395 122.820 -0.003 0.000 2.251 383 A HA 0.217 4.537 4.320 -0.000 0.000 0.209 383 A C 0.404 177.980 177.584 -0.012 0.000 1.187 383 A CA -0.158 51.869 52.037 -0.016 0.000 0.823 383 A CB 0.084 19.056 19.000 -0.047 0.000 0.846 383 A HN 0.282 nan 8.150 nan 0.000 0.486 384 L N 1.510 122.734 121.223 0.001 0.000 2.334 384 L HA 0.302 4.642 4.340 -0.000 0.000 0.277 384 L C -0.071 176.843 176.870 0.072 0.000 1.075 384 L CA -1.016 53.839 54.840 0.024 0.000 0.804 384 L CB 0.922 42.998 42.059 0.028 0.000 1.174 384 L HN 0.379 nan 8.230 nan 0.000 0.438 385 D N 0.795 121.242 120.400 0.077 0.000 2.371 385 D HA -0.056 4.584 4.640 -0.000 0.000 0.242 385 D C 0.940 177.335 176.300 0.159 0.000 1.218 385 D CA -0.283 53.788 54.000 0.118 0.000 0.945 385 D CB 0.568 41.435 40.800 0.111 0.000 1.137 385 D HN 0.401 nan 8.370 nan 0.000 0.464 386 F N 0.637 120.613 119.950 0.044 0.000 2.045 386 F HA -0.288 4.238 4.527 -0.000 0.000 0.297 386 F C 2.146 177.989 175.800 0.071 0.000 1.114 386 F CA 2.050 60.078 58.000 0.047 0.000 1.207 386 F CB -0.069 38.956 39.000 0.041 0.000 0.964 386 F HN 0.165 nan 8.300 nan 0.000 0.486 387 K N 0.042 120.628 120.400 0.310 0.000 2.063 387 K HA -0.186 4.133 4.320 -0.000 0.000 0.208 387 K C 1.737 178.415 176.600 0.130 0.000 1.048 387 K CA 1.778 58.197 56.287 0.220 0.000 0.928 387 K CB -0.906 31.719 32.500 0.208 0.000 0.713 387 K HN 0.364 nan 8.250 nan 0.000 0.442 388 D N 0.521 120.990 120.400 0.115 0.000 2.178 388 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 388 D C 2.062 178.441 176.300 0.132 0.000 0.974 388 D CA 0.681 54.746 54.000 0.109 0.000 0.841 388 D CB -0.359 40.492 40.800 0.085 0.000 0.953 388 D HN 0.125 nan 8.370 nan 0.000 0.478 389 C N 1.005 120.366 119.300 0.102 0.000 2.453 389 C HA -0.005 4.455 4.460 -0.000 0.000 0.277 389 C C 2.918 177.908 174.990 0.000 0.000 1.262 389 C CA 0.773 59.878 59.018 0.145 0.000 1.718 389 C CB -0.942 26.771 27.740 -0.044 0.000 2.031 389 C HN 0.366 nan 8.230 nan 0.000 0.480 390 A N 0.458 123.197 122.820 -0.135 0.000 1.902 390 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 390 A C 1.811 179.413 177.584 0.029 0.000 1.181 390 A CA 2.367 54.292 52.037 -0.187 0.000 0.623 390 A CB -0.809 18.111 19.000 -0.132 0.000 0.818 390 A HN 0.598 nan 8.150 nan 0.000 0.443 391 D N -0.207 120.307 120.400 0.190 0.000 2.123 391 D HA -0.150 4.489 4.640 -0.000 0.000 0.196 391 D C 1.680 178.105 176.300 0.208 0.000 0.992 391 D CA 1.522 55.682 54.000 0.266 0.000 0.833 391 D CB -0.220 40.686 40.800 0.177 0.000 0.954 391 D HN 0.510 nan 8.370 nan 0.000 0.455 392 I N -0.484 120.195 120.570 0.182 0.000 2.179 392 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 392 I C 2.368 178.562 176.117 0.128 0.000 1.088 392 I CA 0.592 62.009 61.300 0.195 0.000 1.357 392 I CB -0.177 38.036 38.000 0.356 0.000 1.051 392 I HN -0.008 nan 8.210 nan 0.000 0.409 393 V N 0.428 120.367 119.914 0.041 0.000 2.343 393 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 393 V C 2.230 178.274 176.094 -0.084 0.000 1.051 393 V CA 1.954 64.198 62.300 -0.093 0.000 1.036 393 V CB -0.738 30.911 31.823 -0.290 0.000 0.654 393 V HN 0.278 nan 8.190 nan 0.000 0.451 394 F N 0.489 120.441 119.950 0.003 0.000 2.134 394 F HA -0.167 4.359 4.527 -0.000 0.000 0.299 394 F C 2.524 178.304 175.800 -0.034 0.000 1.097 394 F CA 1.595 59.585 58.000 -0.016 0.000 1.264 394 F CB -0.379 38.609 39.000 -0.020 0.000 1.001 394 F HN 0.197 nan 8.300 nan 0.000 0.479 395 N N 0.479 119.282 118.700 0.171 0.000 2.084 395 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 395 N C 1.363 176.870 175.510 -0.006 0.000 1.030 395 N CA 1.647 54.736 53.050 0.063 0.000 0.849 395 N CB -0.674 37.847 38.487 0.056 0.000 1.012 395 N HN 0.228 nan 8.380 nan 0.000 0.423 396 D N 0.833 121.230 120.400 -0.005 0.000 2.097 396 D HA -0.077 4.562 4.640 -0.000 0.000 0.195 396 D C 2.196 178.441 176.300 -0.092 0.000 0.989 396 D CA 0.516 54.474 54.000 -0.070 0.000 0.827 396 D CB -0.420 40.361 40.800 -0.032 0.000 0.966 396 D HN 0.227 nan 8.370 nan 0.000 0.456 397 L N 0.423 121.653 121.223 0.011 0.000 2.083 397 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 397 L C 2.537 179.440 176.870 0.056 0.000 1.083 397 L CA 0.871 55.787 54.840 0.127 0.000 0.752 397 L CB -0.414 41.770 42.059 0.208 0.000 0.899 397 L HN 0.006 nan 8.230 nan 0.000 0.433 398 S N 0.061 115.748 115.700 -0.022 0.000 2.370 398 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 398 S C 1.946 176.442 174.600 -0.174 0.000 1.033 398 S CA 1.268 59.418 58.200 -0.083 0.000 1.011 398 S CB -0.106 63.050 63.200 -0.073 0.000 0.852 398 S HN 0.309 nan 8.310 nan 0.000 0.457 399 L N 0.514 121.562 121.223 -0.292 0.000 2.095 399 L HA 0.061 4.400 4.340 -0.000 0.000 0.204 399 L C 2.351 178.770 176.870 -0.751 0.000 1.080 399 L CA 0.929 55.438 54.840 -0.552 0.000 0.759 399 L CB -0.454 41.122 42.059 -0.806 0.000 0.914 399 L HN 0.325 nan 8.230 nan 0.000 0.439 400 I N -0.759 119.419 120.570 -0.653 0.000 2.226 400 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 400 I C 2.037 177.680 176.117 -0.791 0.000 1.100 400 I CA 1.272 62.203 61.300 -0.614 0.000 1.374 400 I CB -0.322 37.484 38.000 -0.323 0.000 1.057 400 I HN 0.352 nan 8.210 nan 0.000 0.413 401 H N 0.357 119.240 119.070 -0.313 0.000 2.586 401 H HA 0.163 4.718 4.556 -0.000 0.000 0.273 401 H C 0.212 175.401 175.328 -0.231 0.000 0.997 401 H CA -0.004 55.909 56.048 -0.225 0.000 1.177 401 H CB 0.357 30.234 29.762 0.191 0.000 1.471 401 H HN 0.349 nan 8.280 nan 0.000 0.538 402 Q N 0.918 120.587 119.800 -0.219 0.000 2.443 402 Q HA -0.174 4.166 4.340 -0.000 0.000 0.337 402 Q C -1.140 174.817 176.000 -0.071 0.000 1.401 402 Q CA 0.209 55.913 55.803 -0.164 0.000 0.943 402 Q CB -1.100 27.524 28.738 -0.190 0.000 1.177 402 Q HN 0.422 nan 8.270 nan 0.000 0.394 403 L N 0.138 121.320 121.223 -0.068 0.000 2.388 403 L HA 0.623 4.962 4.340 -0.000 0.000 0.264 403 L C -2.237 174.565 176.870 -0.112 0.000 0.998 403 L CA -2.448 52.351 54.840 -0.070 0.000 0.817 403 L CB 1.948 43.953 42.059 -0.090 0.000 1.338 403 L HN -0.013 nan 8.230 nan 0.000 0.414 404 P HA 0.018 nan 4.420 nan 0.000 0.264 404 P C 0.129 177.319 177.300 -0.183 0.000 1.193 404 P CA -0.053 62.965 63.100 -0.136 0.000 0.763 404 P CB 0.729 32.349 31.700 -0.135 0.000 0.810 405 K N 3.996 124.304 120.400 -0.154 0.000 2.074 405 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 405 K C 1.398 177.837 176.600 -0.269 0.000 1.048 405 K CA 1.681 57.868 56.287 -0.166 0.000 0.926 405 K CB -0.061 32.368 32.500 -0.118 0.000 0.713 405 K HN 0.267 nan 8.250 nan 0.000 0.444 406 K N 0.339 120.588 120.400 -0.252 0.000 2.103 406 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 406 K C 1.721 178.090 176.600 -0.385 0.000 1.048 406 K CA 1.796 57.910 56.287 -0.288 0.000 0.930 406 K CB -0.111 32.263 32.500 -0.210 0.000 0.716 406 K HN 0.248 nan 8.250 nan 0.000 0.444 407 D N 0.886 121.020 120.400 -0.444 0.000 2.097 407 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 407 D C 1.850 177.506 176.300 -1.074 0.000 0.989 407 D CA 1.031 54.559 54.000 -0.786 0.000 0.827 407 D CB -0.199 40.202 40.800 -0.665 0.000 0.966 407 D HN 0.171 nan 8.370 nan 0.000 0.456 408 I N 0.604 120.800 120.570 -0.624 0.000 2.286 408 I HA -0.252 3.917 4.170 -0.000 0.000 0.248 408 I C 2.135 178.169 176.117 -0.139 0.000 1.115 408 I CA 1.023 62.128 61.300 -0.325 0.000 1.392 408 I CB -0.301 37.611 38.000 -0.148 0.000 1.065 408 I HN -0.011 nan 8.210 nan 0.000 0.418 409 Q N -0.330 119.219 119.800 -0.420 0.000 2.437 409 Q HA -0.139 4.200 4.340 -0.000 0.000 0.210 409 Q C 2.265 178.138 176.000 -0.212 0.000 0.972 409 Q CA 1.250 56.722 55.803 -0.552 0.000 0.903 409 Q CB 0.018 28.310 28.738 -0.742 0.000 0.967 409 Q HN 0.389 nan 8.270 nan 0.000 0.486 410 S N -0.756 114.799 115.700 -0.242 0.000 2.427 410 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 410 S C 1.353 176.019 174.600 0.110 0.000 1.047 410 S CA 0.096 58.225 58.200 -0.118 0.000 0.953 410 S CB 0.080 63.139 63.200 -0.236 0.000 0.824 410 S HN 0.266 nan 8.310 nan 0.000 0.502 411 F N 2.161 122.158 119.950 0.078 0.000 2.234 411 F HA 0.218 4.744 4.527 -0.000 0.000 0.299 411 F C 1.376 177.307 175.800 0.219 0.000 1.087 411 F CA -0.769 57.316 58.000 0.141 0.000 1.340 411 F CB -1.070 38.037 39.000 0.178 0.000 1.031 411 F HN 0.249 nan 8.300 nan 0.000 0.500 412 c N -1.923 116.950 118.600 0.455 0.000 3.044 412 c HA 0.724 5.294 4.570 -0.000 0.000 0.315 412 c C -0.802 173.576 174.090 0.480 0.000 1.320 412 c CA -1.212 55.365 56.329 0.414 0.000 1.582 412 c CB 1.370 44.137 42.510 0.428 0.000 2.039 412 c HN 0.365 nan 8.230 nan 0.000 0.466 413 Y N -1.707 118.762 120.300 0.283 0.000 2.544 413 Y HA 0.680 5.230 4.550 -0.000 0.000 0.342 413 Y C -3.322 172.706 175.900 0.212 0.000 1.062 413 Y CA -2.922 55.362 58.100 0.307 0.000 1.023 413 Y CB 0.554 39.143 38.460 0.215 0.000 1.308 413 Y HN 0.413 nan 8.280 nan 0.000 0.457 414 P HA 0.138 nan 4.420 nan 0.000 0.269 414 P C 0.339 177.818 177.300 0.298 0.000 1.252 414 P CA 0.239 63.382 63.100 0.073 0.000 0.780 414 P CB 1.245 32.958 31.700 0.022 0.000 0.829 415 S N 2.413 118.101 115.700 -0.021 0.000 2.441 415 S HA 0.165 4.634 4.470 -0.000 0.000 0.224 415 S C 0.585 175.305 174.600 0.200 0.000 1.043 415 S CA 0.335 58.616 58.200 0.134 0.000 0.948 415 S CB -0.071 63.027 63.200 -0.170 0.000 0.810 415 S HN 0.218 nan 8.310 nan 0.000 0.504 416 V N 1.146 121.139 119.914 0.131 0.000 3.048 416 V HA 0.543 4.663 4.120 -0.000 0.000 0.303 416 V C -1.326 174.886 176.094 0.196 0.000 1.214 416 V CA -0.836 61.489 62.300 0.041 0.000 0.984 416 V CB 1.967 33.528 31.823 -0.438 0.000 1.054 416 V HN 0.383 nan 8.190 nan 0.000 0.430 417 I N 2.857 123.539 120.570 0.187 0.000 2.512 417 I HA 0.479 4.649 4.170 -0.000 0.000 0.287 417 I C -1.067 175.063 176.117 0.022 0.000 1.069 417 I CA -0.537 60.800 61.300 0.061 0.000 1.056 417 I CB 2.175 40.110 38.000 -0.108 0.000 1.229 417 I HN 0.630 nan 8.210 nan 0.000 0.429 418 Q N 6.587 126.387 119.800 -0.001 0.000 2.381 418 Q HA 0.353 4.693 4.340 -0.000 0.000 0.263 418 Q C -1.307 174.545 176.000 -0.246 0.000 1.030 418 Q CA -0.420 55.254 55.803 -0.216 0.000 0.772 418 Q CB 1.150 29.720 28.738 -0.280 0.000 1.232 418 Q HN 0.387 nan 8.270 nan 0.000 0.476 419 K N 3.743 124.009 120.400 -0.223 0.000 2.300 419 K HA 0.138 4.458 4.320 -0.000 0.000 0.264 419 K C -0.141 176.395 176.600 -0.106 0.000 1.083 419 K CA -0.222 56.018 56.287 -0.078 0.000 0.958 419 K CB 0.490 32.986 32.500 -0.006 0.000 1.318 419 K HN 0.708 nan 8.250 nan 0.000 0.448 420 W N 1.006 122.349 121.300 0.073 0.000 2.392 420 W HA -0.175 4.485 4.660 -0.000 0.000 0.279 420 W C 1.865 178.407 176.519 0.039 0.000 1.225 420 W CA 0.791 58.171 57.345 0.059 0.000 1.233 420 W CB 0.100 29.601 29.460 0.068 0.000 1.122 420 W HN 0.467 nan 8.180 nan 0.000 0.561 421 S N 0.254 116.095 115.700 0.236 0.000 2.474 421 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 421 S C 1.460 176.104 174.600 0.074 0.000 0.997 421 S CA 0.731 59.014 58.200 0.139 0.000 0.949 421 S CB -0.279 62.994 63.200 0.121 0.000 0.766 421 S HN 0.223 nan 8.310 nan 0.000 0.517 422 L N 0.900 122.153 121.223 0.050 0.000 2.667 422 L HA 0.255 4.594 4.340 -0.000 0.000 0.232 422 L C 0.210 177.063 176.870 -0.029 0.000 1.138 422 L CA -0.147 54.693 54.840 0.000 0.000 0.921 422 L CB -0.223 41.829 42.059 -0.011 0.000 1.180 422 L HN 0.116 nan 8.230 nan 0.000 0.487 423 D N 1.278 121.684 120.400 0.010 0.000 2.371 423 D HA -0.018 4.622 4.640 -0.000 0.000 0.256 423 D C 1.486 177.764 176.300 -0.037 0.000 1.193 423 D CA -0.076 53.927 54.000 0.004 0.000 0.881 423 D CB 0.980 41.894 40.800 0.191 0.000 1.143 423 D HN 0.178 nan 8.370 nan 0.000 0.473 424 K N 2.370 122.667 120.400 -0.172 0.000 2.286 424 K HA -0.256 4.064 4.320 -0.000 0.000 0.203 424 K C 0.718 177.093 176.600 -0.374 0.000 1.045 424 K CA 1.441 57.530 56.287 -0.330 0.000 0.935 424 K CB -0.213 31.964 32.500 -0.538 0.000 0.737 424 K HN 0.577 nan 8.250 nan 0.000 0.460 425 Y N 0.104 120.437 120.300 0.055 0.000 2.464 425 Y HA 0.264 4.814 4.550 -0.000 0.000 0.288 425 Y C 2.713 178.640 175.900 0.046 0.000 1.133 425 Y CA 0.061 58.194 58.100 0.055 0.000 1.223 425 Y CB 0.166 38.670 38.460 0.073 0.000 1.187 425 Y HN 0.123 nan 8.280 nan 0.000 0.539 426 A N 0.267 123.216 122.820 0.215 0.000 1.897 426 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 426 A C 1.537 179.099 177.584 -0.037 0.000 1.181 426 A CA 1.615 53.724 52.037 0.119 0.000 0.620 426 A CB -0.621 18.503 19.000 0.207 0.000 0.821 426 A HN 0.546 nan 8.150 nan 0.000 0.443 427 M N -3.023 116.564 119.600 -0.021 0.000 2.856 427 M HA -0.204 4.276 4.480 -0.000 0.000 0.189 427 M C 0.418 176.605 176.300 -0.189 0.000 0.612 427 M CA 0.738 55.979 55.300 -0.099 0.000 0.673 427 M CB -2.128 30.396 32.600 -0.127 0.000 2.440 427 M HN 0.900 nan 8.290 nan 0.000 0.437 428 G N -1.754 106.954 108.800 -0.153 0.000 2.466 428 G HA2 0.543 4.502 3.960 -0.000 0.000 0.291 428 G HA3 0.543 4.502 3.960 -0.000 0.000 0.291 428 G C -0.002 174.948 174.900 0.083 0.000 1.460 428 G CA -0.295 44.712 45.100 -0.154 0.000 0.791 428 G HN 0.259 nan 8.290 nan 0.000 0.505 429 G N -0.887 108.040 108.800 0.211 0.000 2.670 429 G HA2 0.432 4.392 3.960 -0.000 0.000 0.219 429 G HA3 0.432 4.392 3.960 -0.000 0.000 0.219 429 G C 0.315 175.306 174.900 0.152 0.000 1.342 429 G CA 0.277 45.502 45.100 0.209 0.000 0.902 429 G HN 0.687 nan 8.290 nan 0.000 0.553 430 I N 0.988 121.645 120.570 0.145 0.000 2.498 430 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 430 I C -0.468 175.574 176.117 -0.125 0.000 1.032 430 I CA -0.636 60.674 61.300 0.017 0.000 1.073 430 I CB 2.389 40.348 38.000 -0.068 0.000 1.251 430 I HN -0.015 nan 8.210 nan 0.000 0.426 431 T N 4.127 118.448 114.554 -0.387 0.000 2.822 431 T HA 0.073 4.422 4.350 -0.000 0.000 0.288 431 T C 0.058 174.484 174.700 -0.456 0.000 0.991 431 T CA 0.458 62.039 62.100 -0.865 0.000 1.176 431 T CB -0.170 68.191 68.868 -0.845 0.000 0.951 431 T HN 0.579 nan 8.240 nan 0.000 0.526 432 T N 4.669 119.062 114.554 -0.269 0.000 3.089 432 T HA 0.314 4.664 4.350 -0.000 0.000 0.340 432 T C -0.040 174.851 174.700 0.318 0.000 1.008 432 T CA -0.541 61.603 62.100 0.074 0.000 1.096 432 T CB 0.133 69.097 68.868 0.161 0.000 1.024 432 T HN 0.472 nan 8.240 nan 0.000 0.477 433 F N 3.176 123.125 119.950 -0.002 0.000 2.538 433 F HA 0.202 4.729 4.527 -0.000 0.000 0.371 433 F C 1.825 177.722 175.800 0.161 0.000 1.087 433 F CA -0.673 57.321 58.000 -0.011 0.000 1.250 433 F CB 0.802 39.573 39.000 -0.381 0.000 1.110 433 F HN 0.431 nan 8.300 nan 0.000 0.570 434 T N 1.662 116.405 114.554 0.315 0.000 2.862 434 T HA 0.311 4.660 4.350 -0.000 0.000 0.276 434 T C -2.663 172.207 174.700 0.283 0.000 0.974 434 T CA -2.415 59.844 62.100 0.264 0.000 0.966 434 T CB 1.152 70.112 68.868 0.153 0.000 1.072 434 T HN 0.170 nan 8.240 nan 0.000 0.538 435 P HA 0.032 nan 4.420 nan 0.000 0.263 435 P C -0.315 177.178 177.300 0.322 0.000 1.175 435 P CA 0.557 63.817 63.100 0.266 0.000 0.761 435 P CB -0.255 31.608 31.700 0.272 0.000 0.794 436 Y N -0.440 119.928 120.300 0.114 0.000 4.779 436 Y HA -0.331 4.219 4.550 -0.000 0.000 0.284 436 Y C 1.882 177.746 175.900 -0.061 0.000 0.973 436 Y CA 1.417 59.521 58.100 0.006 0.000 1.792 436 Y CB -2.161 36.229 38.460 -0.116 0.000 1.120 436 Y HN 0.458 nan 8.280 nan 0.000 0.450 437 Q N -0.540 119.307 119.800 0.077 0.000 2.167 437 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 437 Q C 1.620 177.528 176.000 -0.153 0.000 0.970 437 Q CA 1.684 57.374 55.803 -0.188 0.000 0.855 437 Q CB -0.281 28.254 28.738 -0.338 0.000 0.911 437 Q HN 0.607 nan 8.270 nan 0.000 0.438 438 F N 1.851 121.951 119.950 0.251 0.000 2.084 438 F HA -0.234 4.293 4.527 -0.001 0.000 0.296 438 F C 2.735 178.654 175.800 0.198 0.000 1.111 438 F CA 1.743 59.987 58.000 0.407 0.000 1.224 438 F CB -0.202 39.012 39.000 0.357 0.000 0.991 438 F HN 0.146 nan 8.300 nan 0.000 0.471 439 Q N -1.097 118.886 119.800 0.306 0.000 2.230 439 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 439 Q C 1.623 177.699 176.000 0.127 0.000 0.963 439 Q CA 1.817 57.730 55.803 0.184 0.000 0.866 439 Q CB -0.668 28.146 28.738 0.126 0.000 0.931 439 Q HN 0.471 nan 8.270 nan 0.000 0.452 440 H N -0.457 118.538 119.070 -0.125 0.000 2.486 440 H HA 0.174 4.730 4.556 -0.000 0.000 0.287 440 H C 0.657 175.797 175.328 -0.313 0.000 1.010 440 H CA 0.840 56.685 56.048 -0.338 0.000 1.324 440 H CB 0.216 29.571 29.762 -0.677 0.000 1.446 440 H HN 0.288 nan 8.280 nan 0.000 0.537 441 F N -1.554 118.315 119.950 -0.134 0.000 2.727 441 F HA 0.141 4.668 4.527 -0.000 0.000 0.302 441 F C 2.323 178.071 175.800 -0.087 0.000 1.107 441 F CA -0.082 57.774 58.000 -0.241 0.000 1.277 441 F CB 0.452 39.217 39.000 -0.393 0.000 1.079 441 F HN -0.016 nan 8.300 nan 0.000 0.594 442 S N 0.667 116.502 115.700 0.225 0.000 2.359 442 S HA -0.220 4.250 4.470 -0.000 0.000 0.223 442 S C 1.472 176.180 174.600 0.181 0.000 1.039 442 S CA 1.945 60.317 58.200 0.287 0.000 1.042 442 S CB -0.315 63.096 63.200 0.351 0.000 0.915 442 S HN 0.330 nan 8.310 nan 0.000 0.439 443 D N 0.976 121.453 120.400 0.129 0.000 2.097 443 D HA -0.025 4.614 4.640 -0.000 0.000 0.195 443 D C -0.656 175.672 176.300 0.046 0.000 0.989 443 D CA 1.095 55.146 54.000 0.084 0.000 0.827 443 D CB -1.814 39.026 40.800 0.067 0.000 0.966 443 D HN 0.320 nan 8.370 nan 0.000 0.456 444 P HA -0.061 nan 4.420 nan 0.000 0.218 444 P C 1.672 178.931 177.300 -0.068 0.000 1.148 444 P CA 0.765 63.848 63.100 -0.028 0.000 0.822 444 P CB 0.021 31.703 31.700 -0.030 0.000 0.784 445 L N -1.204 120.018 121.223 -0.001 0.000 2.072 445 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 445 L C 2.397 179.263 176.870 -0.006 0.000 1.079 445 L CA 2.049 56.905 54.840 0.027 0.000 0.752 445 L CB -1.494 40.684 42.059 0.199 0.000 0.906 445 L HN 0.118 nan 8.230 nan 0.000 0.436 446 T N -2.398 112.178 114.554 0.037 0.000 3.043 446 T HA 0.197 4.546 4.350 -0.000 0.000 0.263 446 T C 1.005 175.752 174.700 0.078 0.000 1.094 446 T CA 0.268 62.401 62.100 0.056 0.000 1.127 446 T CB -0.241 68.672 68.868 0.075 0.000 0.905 446 T HN 0.190 nan 8.240 nan 0.000 0.490 447 A N 2.463 125.303 122.820 0.034 0.000 2.531 447 A HA 0.505 4.825 4.320 -0.000 0.000 0.236 447 A C 0.860 178.480 177.584 0.061 0.000 1.062 447 A CA -0.181 51.874 52.037 0.030 0.000 0.760 447 A CB -0.067 18.929 19.000 -0.006 0.000 0.995 447 A HN 0.727 nan 8.150 nan 0.000 0.501 448 S N 1.439 117.136 115.700 -0.005 0.000 2.672 448 S HA 0.557 5.027 4.470 -0.000 0.000 0.276 448 S C -0.292 174.257 174.600 -0.085 0.000 1.207 448 S CA -0.544 57.573 58.200 -0.139 0.000 1.002 448 S CB 1.249 64.026 63.200 -0.704 0.000 0.998 448 S HN 0.804 nan 8.310 nan 0.000 0.542 449 Q N 0.561 120.324 119.800 -0.062 0.000 2.397 449 Q HA 0.495 4.835 4.340 -0.000 0.000 0.260 449 Q C 0.563 176.545 176.000 -0.030 0.000 1.002 449 Q CA 0.169 55.965 55.803 -0.012 0.000 0.716 449 Q CB 0.367 29.138 28.738 0.056 0.000 1.258 449 Q HN 1.320 nan 8.270 nan 0.000 0.477 450 G N 3.292 112.070 108.800 -0.037 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 0.284 175.201 174.900 0.029 0.000 1.165 450 G CA 0.321 45.427 45.100 0.011 0.000 0.977 450 G HN 0.663 nan 8.290 nan 0.000 0.546 451 R N 0.158 120.717 120.500 0.098 0.000 2.388 451 R HA 0.402 4.742 4.340 -0.000 0.000 0.247 451 R C 0.440 176.915 176.300 0.293 0.000 0.931 451 R CA -0.006 56.262 56.100 0.280 0.000 1.082 451 R CB 0.133 30.484 30.300 0.084 0.000 1.135 451 R HN 0.423 nan 8.270 nan 0.000 0.525 452 I N 1.323 121.929 120.570 0.061 0.000 2.312 452 I HA 0.238 4.408 4.170 -0.000 0.000 0.290 452 I C -0.642 175.340 176.117 -0.224 0.000 1.008 452 I CA -0.755 60.539 61.300 -0.009 0.000 1.226 452 I CB 0.670 38.677 38.000 0.012 0.000 1.371 452 I HN -0.079 nan 8.210 nan 0.000 0.468 453 Y N 5.591 125.764 120.300 -0.212 0.000 2.567 453 Y HA 0.621 5.171 4.550 -0.000 0.000 0.333 453 Y C -0.437 175.207 175.900 -0.427 0.000 1.106 453 Y CA -0.826 57.188 58.100 -0.143 0.000 1.157 453 Y CB 1.491 39.916 38.460 -0.058 0.000 1.277 453 Y HN 0.265 nan 8.280 nan 0.000 0.490 454 F N 0.403 120.452 119.950 0.165 0.000 2.565 454 F HA 0.807 5.333 4.527 -0.000 0.000 0.313 454 F C -0.076 175.734 175.800 0.016 0.000 1.091 454 F CA -0.856 57.202 58.000 0.096 0.000 0.915 454 F CB 1.892 40.941 39.000 0.081 0.000 1.208 454 F HN 0.531 nan 8.300 nan 0.000 0.453 455 A N 1.230 124.129 122.820 0.132 0.000 2.569 455 A HA 1.002 5.321 4.320 -0.000 0.000 0.290 455 A C -0.386 177.160 177.584 -0.063 0.000 1.136 455 A CA -0.374 51.661 52.037 -0.004 0.000 0.710 455 A CB 1.711 20.712 19.000 0.001 0.000 1.303 455 A HN 1.741 nan 8.150 nan 0.000 0.413 456 G N -0.864 107.874 108.800 -0.103 0.000 2.362 456 G HA2 0.278 4.238 3.960 -0.000 0.000 0.656 456 G HA3 0.278 4.238 3.960 -0.000 0.000 0.656 456 G C 0.309 175.152 174.900 -0.095 0.000 1.376 456 G CA 0.400 45.469 45.100 -0.052 0.000 0.971 456 G HN 1.198 nan 8.290 nan 0.000 0.636 457 E N -0.695 119.528 120.200 0.038 0.000 2.108 457 E HA -0.309 4.041 4.350 -0.000 0.000 0.203 457 E C 2.073 178.727 176.600 0.091 0.000 1.022 457 E CA 2.665 59.110 56.400 0.075 0.000 0.823 457 E CB -0.320 29.439 29.700 0.098 0.000 0.744 457 E HN 0.879 nan 8.360 nan 0.000 0.456 458 Y N 0.202 120.534 120.300 0.053 0.000 2.483 458 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 458 Y C 2.137 178.127 175.900 0.150 0.000 1.143 458 Y CA 1.311 59.413 58.100 0.004 0.000 1.289 458 Y CB -0.754 37.734 38.460 0.047 0.000 0.983 458 Y HN 0.061 nan 8.280 nan 0.000 0.556 459 T N -2.160 112.137 114.554 -0.427 0.000 3.040 459 T HA 0.541 4.890 4.350 -0.000 0.000 0.250 459 T C 0.871 175.542 174.700 -0.048 0.000 1.058 459 T CA 0.019 61.971 62.100 -0.248 0.000 0.988 459 T CB -0.456 68.194 68.868 -0.363 0.000 0.993 459 T HN 0.463 nan 8.240 nan 0.000 0.519 460 A N 1.273 124.086 122.820 -0.012 0.000 2.332 460 A HA 0.421 4.741 4.320 -0.000 0.000 0.258 460 A C 1.355 178.930 177.584 -0.013 0.000 1.087 460 A CA -0.504 51.530 52.037 -0.005 0.000 0.802 460 A CB 0.376 19.381 19.000 0.008 0.000 1.042 460 A HN 0.420 nan 8.150 nan 0.000 0.489 461 Q N -0.340 119.440 119.800 -0.034 0.000 2.224 461 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 461 Q C 0.576 176.484 176.000 -0.155 0.000 0.970 461 Q CA 1.266 57.043 55.803 -0.043 0.000 0.865 461 Q CB -0.047 28.684 28.738 -0.011 0.000 0.922 461 Q HN 0.787 nan 8.270 nan 0.000 0.445 462 A N 0.470 123.194 122.820 -0.160 0.000 2.386 462 A HA 0.519 4.839 4.320 -0.000 0.000 0.311 462 A C -1.281 176.238 177.584 -0.109 0.000 1.068 462 A CA -0.799 51.128 52.037 -0.184 0.000 0.743 462 A CB 0.813 19.810 19.000 -0.005 0.000 1.258 462 A HN 0.135 nan 8.150 nan 0.000 0.429 463 H N 0.254 119.350 119.070 0.044 0.000 2.463 463 H HA 0.549 5.104 4.556 -0.000 0.000 0.332 463 H C 1.115 176.480 175.328 0.062 0.000 1.127 463 H CA 0.219 56.264 56.048 -0.005 0.000 1.238 463 H CB 1.564 31.243 29.762 -0.138 0.000 1.478 463 H HN 1.519 nan 8.280 nan 0.000 0.499 464 G N 1.564 110.381 108.800 0.028 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 -0.717 173.756 174.900 -0.712 0.000 0.989 464 G CA -0.298 44.609 45.100 -0.322 0.000 0.676 464 G HN 0.568 nan 8.290 nan 0.000 0.522 465 W N -0.902 120.461 121.300 0.105 0.000 2.900 465 W HA 0.672 5.332 4.660 -0.000 0.000 0.336 465 W C 1.250 177.782 176.519 0.021 0.000 1.064 465 W CA -1.176 56.229 57.345 0.100 0.000 1.237 465 W CB 0.729 30.277 29.460 0.147 0.000 1.391 465 W HN -0.054 nan 8.180 nan 0.000 0.468 466 I N 1.029 121.743 120.570 0.240 0.000 2.194 466 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 466 I C 2.021 178.199 176.117 0.103 0.000 1.093 466 I CA 1.906 63.284 61.300 0.129 0.000 1.355 466 I CB -0.219 37.855 38.000 0.124 0.000 1.046 466 I HN 0.572 nan 8.210 nan 0.000 0.413 467 D N 0.204 120.663 120.400 0.099 0.000 2.106 467 D HA -0.238 4.401 4.640 -0.000 0.000 0.191 467 D C 2.308 178.586 176.300 -0.036 0.000 0.997 467 D CA 1.847 55.829 54.000 -0.031 0.000 0.834 467 D CB 0.018 40.595 40.800 -0.371 0.000 0.956 467 D HN 0.109 nan 8.370 nan 0.000 0.448 468 S N -1.705 113.962 115.700 -0.054 0.000 2.383 468 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 468 S C 1.934 176.526 174.600 -0.013 0.000 1.026 468 S CA 1.677 59.864 58.200 -0.023 0.000 0.981 468 S CB -0.490 62.715 63.200 0.008 0.000 0.818 468 S HN 0.328 nan 8.310 nan 0.000 0.472 469 T N 2.322 116.887 114.554 0.018 0.000 2.746 469 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 469 T C 1.681 176.362 174.700 -0.031 0.000 1.039 469 T CA 1.396 63.496 62.100 -0.000 0.000 1.142 469 T CB -0.318 68.561 68.868 0.019 0.000 0.866 469 T HN 0.380 nan 8.240 nan 0.000 0.444 470 I N 0.733 121.291 120.570 -0.021 0.000 2.226 470 I HA -0.183 3.986 4.170 -0.000 0.000 0.245 470 I C 2.683 178.757 176.117 -0.072 0.000 1.100 470 I CA 1.288 62.567 61.300 -0.036 0.000 1.374 470 I CB -0.304 37.700 38.000 0.007 0.000 1.057 470 I HN 0.176 nan 8.210 nan 0.000 0.413 471 K N 0.823 121.159 120.400 -0.106 0.000 2.103 471 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 471 K C 2.328 178.697 176.600 -0.385 0.000 1.048 471 K CA 1.883 58.000 56.287 -0.284 0.000 0.930 471 K CB -0.047 32.303 32.500 -0.250 0.000 0.716 471 K HN 0.411 nan 8.250 nan 0.000 0.444 472 S N -0.651 114.919 115.700 -0.216 0.000 2.399 472 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 472 S C 2.110 176.630 174.600 -0.133 0.000 1.022 472 S CA 1.136 59.231 58.200 -0.174 0.000 0.983 472 S CB -0.495 62.639 63.200 -0.109 0.000 0.803 472 S HN 0.410 nan 8.310 nan 0.000 0.480 473 G N 1.713 110.452 108.800 -0.103 0.000 2.403 473 G HA2 0.071 4.031 3.960 -0.000 0.000 0.216 473 G HA3 0.071 4.031 3.960 -0.000 0.000 0.216 473 G C 1.468 176.341 174.900 -0.045 0.000 1.154 473 G CA 0.679 45.745 45.100 -0.058 0.000 0.784 473 G HN 0.506 nan 8.290 nan 0.000 0.538 474 L N -0.173 121.011 121.223 -0.066 0.000 2.093 474 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 474 L C 2.887 179.813 176.870 0.094 0.000 1.085 474 L CA 0.973 55.839 54.840 0.043 0.000 0.755 474 L CB -0.366 41.762 42.059 0.115 0.000 0.904 474 L HN 0.192 nan 8.230 nan 0.000 0.435 475 R N 0.639 121.046 120.500 -0.156 0.000 2.073 475 R HA -0.173 4.167 4.340 -0.000 0.000 0.234 475 R C 2.359 178.708 176.300 0.082 0.000 1.134 475 R CA 1.549 57.657 56.100 0.013 0.000 0.952 475 R CB -0.230 29.953 30.300 -0.194 0.000 0.850 475 R HN 0.309 nan 8.270 nan 0.000 0.433 476 A N 0.747 123.574 122.820 0.012 0.000 1.902 476 A HA -0.085 4.234 4.320 -0.000 0.000 0.217 476 A C 2.362 179.863 177.584 -0.139 0.000 1.181 476 A CA 1.661 53.695 52.037 -0.006 0.000 0.623 476 A CB -0.751 18.260 19.000 0.018 0.000 0.818 476 A HN 0.559 nan 8.150 nan 0.000 0.443 477 A N -0.336 122.434 122.820 -0.084 0.000 1.902 477 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 477 A C 2.277 179.792 177.584 -0.116 0.000 1.181 477 A CA 1.736 53.703 52.037 -0.117 0.000 0.623 477 A CB -0.524 18.463 19.000 -0.023 0.000 0.818 477 A HN 0.546 nan 8.150 nan 0.000 0.443 478 R N -0.412 120.091 120.500 0.005 0.000 2.081 478 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 478 R C 1.362 177.624 176.300 -0.063 0.000 1.131 478 R CA 1.857 57.967 56.100 0.017 0.000 0.960 478 R CB -0.382 29.999 30.300 0.135 0.000 0.856 478 R HN 0.447 nan 8.270 nan 0.000 0.436 479 D N -0.078 120.278 120.400 -0.074 0.000 2.117 479 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 479 D C 1.933 178.018 176.300 -0.359 0.000 0.987 479 D CA 1.093 55.028 54.000 -0.108 0.000 0.829 479 D CB -0.123 40.699 40.800 0.036 0.000 0.961 479 D HN 0.097 nan 8.370 nan 0.000 0.460 480 V N 1.159 120.685 119.914 -0.646 0.000 2.358 480 V HA -0.213 3.906 4.120 -0.000 0.000 0.246 480 V C 2.192 177.914 176.094 -0.620 0.000 1.047 480 V CA 1.485 63.226 62.300 -0.932 0.000 1.035 480 V CB -0.533 30.715 31.823 -0.957 0.000 0.658 480 V HN 0.136 nan 8.190 nan 0.000 0.452 481 N N 0.330 118.803 118.700 -0.377 0.000 2.120 481 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 481 N C 1.667 177.123 175.510 -0.091 0.000 1.024 481 N CA 1.616 54.563 53.050 -0.172 0.000 0.852 481 N CB -0.280 38.182 38.487 -0.042 0.000 1.003 481 N HN 0.435 nan 8.380 nan 0.000 0.424 482 L N -0.374 120.787 121.223 -0.103 0.000 2.056 482 L HA -0.049 4.290 4.340 -0.000 0.000 0.207 482 L C 2.368 179.217 176.870 -0.036 0.000 1.078 482 L CA 1.187 56.000 54.840 -0.045 0.000 0.749 482 L CB -0.599 41.444 42.059 -0.027 0.000 0.901 482 L HN 0.200 nan 8.230 nan 0.000 0.433 483 A N 0.086 122.847 122.820 -0.099 0.000 1.972 483 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 483 A C 2.486 180.095 177.584 0.042 0.000 1.169 483 A CA 1.787 53.805 52.037 -0.031 0.000 0.635 483 A CB -0.588 18.354 19.000 -0.097 0.000 0.810 483 A HN 0.530 nan 8.150 nan 0.000 0.446 484 S N -0.250 115.435 115.700 -0.025 0.000 2.453 484 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 484 S C 1.490 176.169 174.600 0.131 0.000 1.005 484 S CA 1.170 59.454 58.200 0.141 0.000 0.949 484 S CB -0.292 63.021 63.200 0.189 0.000 0.774 484 S HN 0.701 nan 8.310 nan 0.000 0.510 485 E N 1.580 121.828 120.200 0.080 0.000 2.033 485 E HA 0.028 4.377 4.350 -0.000 0.000 0.189 485 E C 1.072 177.711 176.600 0.064 0.000 0.979 485 E CA 0.373 56.811 56.400 0.063 0.000 0.802 485 E CB -0.248 29.476 29.700 0.039 0.000 0.763 485 E HN 0.616 nan 8.360 nan 0.000 0.449 486 N N 0.000 118.740 118.700 0.066 0.000 1.763 486 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 486 N CA 0.000 53.091 53.050 0.068 0.000 0.885 486 N CB 0.000 38.530 38.487 0.072 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667