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 3hn3_1_A DATA FIRST_RESID 22 DATA SEQUENCE GLQGGMLYPQ ESPSRECKEL DGLWSFRADF SDNRRRGFEE QWYRRPLWES DATA SEQUENCE GPTVDMPVPS SFNDISQDWR LRHFVGWVWY EREVILPERW TQDLRTRVVL DATA SEQUENCE RIGSAHSYAI VWVNGVDTLE HEGGYLPFEA DISNLVQVGX XXSRLRITIA DATA SEQUENCE INNTLTPTTL PPGTIQYLTD TSKYPKGYFV QNTYFDFFNY AGLQRSVLLY DATA SEQUENCE TTPTTYIDDI TVTTSVEQDS GLVNYQISVK GSNLFKLEVR LLDAENKVVA DATA SEQUENCE NGTGTQGQLK VPGVSLWWPY LMHERPAYLY SLEVQLTAQT SLGPVSDFYT DATA SEQUENCE LPVGIRTVAV TKSQFLINGK PFYFHGVNKH EDADIRGKGF DWPLLVKDFN DATA SEQUENCE LLRWLGANAF RTSHYPYAEE VMQMCDRYGI VVIDECPGVG LALPQFFNNV DATA SEQUENCE SLHHHMQVME EVVRRDKNHP AVVMWSVANE PASHLESAGY YLKMVIAHTK DATA SEQUENCE SLDPSRPVTF VSNSNYAADK GAPYVDVICL NSYYSWYHDY GHLELIQLQL DATA SEQUENCE ATQFENWYKK YQKPIIQSEY GAETIAGFHQ DPPLMFTEEY QKSLLEQYHL DATA SEQUENCE GLDQKRRKYV VGELIWNFAD FMTEQSPTRV LGNKKGIFTR QRQPKSAAFL DATA SEQUENCE LRERYWKIAN E 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 22 G HA2 0.000 nan 3.960 nan 0.000 0.244 22 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 22 G C 0.000 174.899 174.900 -0.001 0.000 0.946 22 G CA 0.000 45.101 45.100 0.001 0.000 0.502 23 L N -0.232 120.994 121.223 0.004 0.000 1.994 23 L HA 0.051 4.391 4.340 0.000 0.000 0.208 23 L C 1.782 178.657 176.870 0.009 0.000 1.071 23 L CA 1.233 56.075 54.840 0.004 0.000 0.745 23 L CB -0.281 41.784 42.059 0.009 0.000 0.892 23 L HN 0.359 nan 8.230 nan 0.000 0.431 24 Q N 1.052 120.865 119.800 0.021 0.000 2.472 24 Q HA 0.339 4.679 4.340 0.000 0.000 0.227 24 Q C 0.629 176.645 176.000 0.027 0.000 1.156 24 Q CA 0.640 56.458 55.803 0.025 0.000 0.924 24 Q CB 0.125 28.884 28.738 0.035 0.000 1.354 24 Q HN 0.414 nan 8.270 nan 0.000 0.525 25 G N 2.467 111.276 108.800 0.015 0.000 2.633 25 G HA2 -0.281 3.679 3.960 0.000 0.000 0.263 25 G HA3 -0.281 3.679 3.960 0.000 0.000 0.263 25 G C 0.293 175.201 174.900 0.012 0.000 1.310 25 G CA -0.509 44.599 45.100 0.013 0.000 0.914 25 G HN 0.717 nan 8.290 nan 0.000 0.569 26 G N -2.353 106.456 108.800 0.014 0.000 2.588 26 G HA2 0.645 4.605 3.960 0.000 0.000 0.281 26 G HA3 0.645 4.605 3.960 0.000 0.000 0.281 26 G C 0.084 174.992 174.900 0.014 0.000 1.236 26 G CA 0.344 45.443 45.100 -0.002 0.000 0.969 26 G HN 1.429 nan 8.290 nan 0.000 0.504 27 M N 0.430 120.027 119.600 -0.004 0.000 4.816 27 M HA 0.357 4.837 4.480 0.000 0.000 0.560 27 M C -0.766 175.531 176.300 -0.005 0.000 2.256 27 M CA -0.269 55.038 55.300 0.012 0.000 0.410 27 M CB 0.130 32.749 32.600 0.032 0.000 1.476 27 M HN 0.280 nan 8.290 nan 0.000 0.613 28 L N 1.479 122.660 121.223 -0.069 0.000 2.426 28 L HA 0.196 4.536 4.340 0.000 0.000 0.271 28 L C -0.178 176.691 176.870 -0.002 0.000 1.169 28 L CA -0.488 54.287 54.840 -0.109 0.000 0.836 28 L CB 0.324 42.118 42.059 -0.442 0.000 1.112 28 L HN 0.384 nan 8.230 nan 0.000 0.465 29 Y N 5.453 125.758 120.300 0.009 0.000 2.569 29 Y HA 0.122 4.672 4.550 -0.000 0.000 0.332 29 Y C -1.887 174.010 175.900 -0.006 0.000 1.120 29 Y CA -2.294 55.808 58.100 0.004 0.000 1.416 29 Y CB 0.168 38.659 38.460 0.051 0.000 1.210 29 Y HN 0.351 nan 8.280 nan 0.000 0.528 30 P HA 0.026 nan 4.420 nan 0.000 0.265 30 P C -1.411 175.589 177.300 -0.501 0.000 1.193 30 P CA 0.232 62.896 63.100 -0.725 0.000 0.765 30 P CB 0.375 31.510 31.700 -0.941 0.000 0.823 31 Q N 0.306 119.950 119.800 -0.260 0.000 2.418 31 Q HA 0.509 4.849 4.340 0.000 0.000 0.282 31 Q C -1.235 174.704 176.000 -0.103 0.000 1.044 31 Q CA -1.067 54.632 55.803 -0.174 0.000 0.813 31 Q CB 1.493 30.104 28.738 -0.212 0.000 1.428 31 Q HN 0.172 nan 8.270 nan 0.000 0.402 32 E N 1.109 121.268 120.200 -0.068 0.000 2.354 32 E HA 0.465 4.815 4.350 0.000 0.000 0.269 32 E C -0.714 175.860 176.600 -0.043 0.000 1.036 32 E CA 0.206 56.591 56.400 -0.026 0.000 0.876 32 E CB 1.386 31.079 29.700 -0.010 0.000 1.009 32 E HN 0.657 nan 8.360 nan 0.000 0.416 33 S N 1.116 116.810 115.700 -0.010 0.000 2.656 33 S HA 0.442 4.912 4.470 0.000 0.000 0.273 33 S C -2.279 172.311 174.600 -0.017 0.000 1.168 33 S CA -1.320 56.866 58.200 -0.025 0.000 0.817 33 S CB 1.153 64.377 63.200 0.039 0.000 1.146 33 S HN 0.152 nan 8.310 nan 0.000 0.475 34 P HA -0.083 nan 4.420 nan 0.000 0.218 34 P C 1.117 178.455 177.300 0.064 0.000 1.146 34 P CA 1.863 64.916 63.100 -0.078 0.000 0.820 34 P CB -0.075 31.447 31.700 -0.298 0.000 0.778 35 S N -3.167 112.625 115.700 0.153 0.000 2.539 35 S HA 0.246 4.716 4.470 0.000 0.000 0.221 35 S C 0.620 175.281 174.600 0.102 0.000 0.987 35 S CA -0.453 57.841 58.200 0.157 0.000 0.929 35 S CB 0.074 63.408 63.200 0.224 0.000 0.832 35 S HN 0.006 nan 8.310 nan 0.000 0.492 36 R N 0.798 121.352 120.500 0.090 0.000 2.574 36 R HA 0.526 4.866 4.340 0.000 0.000 0.288 36 R C -1.245 175.101 176.300 0.077 0.000 1.004 36 R CA -0.400 55.745 56.100 0.076 0.000 0.895 36 R CB 1.894 32.255 30.300 0.103 0.000 1.191 36 R HN 0.316 nan 8.270 nan 0.000 0.444 37 E N 1.151 121.406 120.200 0.091 0.000 2.232 37 E HA 0.535 4.885 4.350 0.000 0.000 0.264 37 E C -0.882 175.827 176.600 0.182 0.000 0.973 37 E CA -0.837 55.663 56.400 0.166 0.000 0.849 37 E CB 2.115 32.014 29.700 0.331 0.000 1.198 37 E HN 0.398 nan 8.360 nan 0.000 0.407 38 C N 1.298 120.717 119.300 0.198 0.000 2.481 38 C HA 0.412 4.872 4.460 0.000 0.000 0.324 38 C C -0.648 174.470 174.990 0.214 0.000 1.170 38 C CA -0.767 58.361 59.018 0.183 0.000 1.361 38 C CB 0.824 28.605 27.740 0.068 0.000 1.977 38 C HN 0.648 nan 8.230 nan 0.000 0.459 39 K N 2.727 123.283 120.400 0.261 0.000 2.559 39 K HA 0.445 4.765 4.320 0.000 0.000 0.249 39 K C -0.570 176.128 176.600 0.164 0.000 0.958 39 K CA -0.150 56.255 56.287 0.197 0.000 0.901 39 K CB 0.764 33.388 32.500 0.207 0.000 1.124 39 K HN 0.711 nan 8.250 nan 0.000 0.437 40 E N 2.954 123.233 120.200 0.130 0.000 2.373 40 E HA 0.091 4.441 4.350 0.000 0.000 0.267 40 E C -0.160 176.531 176.600 0.152 0.000 1.032 40 E CA 0.058 56.541 56.400 0.138 0.000 0.889 40 E CB 0.792 30.574 29.700 0.138 0.000 0.984 40 E HN 0.473 nan 8.360 nan 0.000 0.425 41 L N 2.767 124.110 121.223 0.199 0.000 3.108 41 L HA 0.259 4.599 4.340 0.000 0.000 0.251 41 L C -0.491 176.606 176.870 0.378 0.000 1.315 41 L CA -0.498 54.491 54.840 0.249 0.000 1.048 41 L CB -0.046 42.196 42.059 0.304 0.000 1.432 41 L HN 0.386 nan 8.230 nan 0.000 0.543 42 D N 0.830 121.398 120.400 0.279 0.000 2.344 42 D HA 0.599 5.239 4.640 0.000 0.000 0.244 42 D C 0.850 177.323 176.300 0.288 0.000 1.134 42 D CA 0.819 54.992 54.000 0.289 0.000 0.930 42 D CB 1.666 42.596 40.800 0.216 0.000 1.175 42 D HN 0.321 nan 8.370 nan 0.000 0.437 43 G N -0.598 108.382 108.800 0.300 0.000 2.341 43 G HA2 -0.110 3.850 3.960 0.000 0.000 0.196 43 G HA3 -0.110 3.850 3.960 0.000 0.000 0.196 43 G C -1.100 174.014 174.900 0.357 0.000 1.231 43 G CA -0.829 44.423 45.100 0.253 0.000 1.155 43 G HN 0.438 nan 8.290 nan 0.000 0.529 44 L N -0.065 121.325 121.223 0.278 0.000 2.331 44 L HA 0.604 4.944 4.340 0.000 0.000 0.278 44 L C -0.351 176.766 176.870 0.412 0.000 1.106 44 L CA -0.346 54.681 54.840 0.312 0.000 0.824 44 L CB 0.744 42.910 42.059 0.178 0.000 1.142 44 L HN 0.515 nan 8.230 nan 0.000 0.443 45 W N 0.988 122.411 121.300 0.205 0.000 2.781 45 W HA 0.454 5.114 4.660 -0.000 0.000 0.345 45 W C -0.005 176.661 176.519 0.245 0.000 1.085 45 W CA -0.536 56.967 57.345 0.264 0.000 1.198 45 W CB 1.631 31.345 29.460 0.423 0.000 1.423 45 W HN 0.283 nan 8.180 nan 0.000 0.532 46 S N 1.962 117.924 115.700 0.437 0.000 2.580 46 S HA 0.584 5.054 4.470 0.000 0.000 0.274 46 S C -1.175 173.652 174.600 0.379 0.000 1.329 46 S CA -0.179 58.217 58.200 0.327 0.000 1.036 46 S CB 0.397 63.739 63.200 0.236 0.000 0.919 46 S HN 0.294 nan 8.310 nan 0.000 0.515 47 F N 1.844 121.831 119.950 0.062 0.000 2.608 47 F HA 0.647 5.174 4.527 0.000 0.000 0.309 47 F C -0.690 175.064 175.800 -0.077 0.000 1.103 47 F CA -0.733 57.213 58.000 -0.090 0.000 0.954 47 F CB 1.383 40.250 39.000 -0.221 0.000 1.267 47 F HN 0.554 nan 8.300 nan 0.000 0.444 48 R N 4.251 124.356 120.500 -0.657 0.000 2.566 48 R HA 0.799 5.139 4.340 0.000 0.000 0.271 48 R C -1.774 174.075 176.300 -0.751 0.000 1.071 48 R CA -0.699 55.101 56.100 -0.500 0.000 0.915 48 R CB 1.821 31.928 30.300 -0.322 0.000 1.228 48 R HN 0.900 nan 8.270 nan 0.000 0.449 49 A N 2.388 124.796 122.820 -0.687 0.000 2.327 49 A HA 0.215 4.535 4.320 0.000 0.000 0.283 49 A C -0.630 176.627 177.584 -0.545 0.000 1.127 49 A CA -0.369 51.114 52.037 -0.924 0.000 0.810 49 A CB 0.848 18.860 19.000 -1.646 0.000 1.066 49 A HN 0.717 nan 8.150 nan 0.000 0.492 50 D N 2.108 122.391 120.400 -0.195 0.000 2.468 50 D HA 0.296 4.936 4.640 0.000 0.000 0.218 50 D C -0.467 175.928 176.300 0.159 0.000 1.155 50 D CA -0.218 53.881 54.000 0.164 0.000 0.924 50 D CB -0.345 40.649 40.800 0.323 0.000 1.029 50 D HN 0.323 nan 8.370 nan 0.000 0.515 51 F N 1.219 121.327 119.950 0.264 0.000 2.693 51 F HA 0.051 4.578 4.527 0.000 0.000 0.303 51 F C 1.477 177.446 175.800 0.282 0.000 1.143 51 F CA -0.389 57.809 58.000 0.329 0.000 1.389 51 F CB -0.498 38.630 39.000 0.213 0.000 1.060 51 F HN 0.143 nan 8.300 nan 0.000 0.535 52 S N -0.696 115.231 115.700 0.379 0.000 2.563 52 S HA -0.064 4.406 4.470 0.000 0.000 0.284 52 S C 1.145 175.908 174.600 0.272 0.000 1.331 52 S CA -0.633 57.730 58.200 0.272 0.000 1.047 52 S CB 0.816 64.127 63.200 0.185 0.000 0.859 52 S HN 0.210 nan 8.310 nan 0.000 0.514 53 D N 2.168 122.699 120.400 0.217 0.000 2.133 53 D HA -0.164 4.476 4.640 0.000 0.000 0.195 53 D C 1.642 178.041 176.300 0.166 0.000 0.997 53 D CA 1.919 56.041 54.000 0.203 0.000 0.840 53 D CB -0.481 40.411 40.800 0.153 0.000 0.947 53 D HN 0.889 nan 8.370 nan 0.000 0.452 54 N N 0.135 118.913 118.700 0.130 0.000 2.398 54 N HA -0.089 4.651 4.740 0.000 0.000 0.188 54 N C 0.218 175.812 175.510 0.141 0.000 1.122 54 N CA 0.130 53.238 53.050 0.096 0.000 0.866 54 N CB 0.102 38.625 38.487 0.060 0.000 0.970 54 N HN -0.122 nan 8.380 nan 0.000 0.462 55 R N -0.687 119.938 120.500 0.208 0.000 3.953 55 R HA -0.180 4.160 4.340 0.000 0.000 0.340 55 R C 0.005 176.528 176.300 0.372 0.000 1.195 55 R CA 0.843 57.129 56.100 0.309 0.000 0.929 55 R CB -2.169 28.297 30.300 0.276 0.000 1.402 55 R HN 0.558 nan 8.270 nan 0.000 0.540 56 R N -0.430 120.204 120.500 0.224 0.000 2.509 56 R HA 0.191 4.531 4.340 0.000 0.000 0.297 56 R C 1.713 178.019 176.300 0.009 0.000 0.951 56 R CA 0.088 56.311 56.100 0.204 0.000 1.103 56 R CB 0.377 30.760 30.300 0.139 0.000 1.283 56 R HN 0.106 nan 8.270 nan 0.000 0.534 57 R N 0.919 121.356 120.500 -0.105 0.000 2.133 57 R HA -0.144 4.196 4.340 0.000 0.000 0.247 57 R C 1.874 177.687 176.300 -0.812 0.000 1.151 57 R CA 2.074 58.007 56.100 -0.278 0.000 0.971 57 R CB -0.431 29.801 30.300 -0.113 0.000 0.866 57 R HN 0.260 nan 8.270 nan 0.000 0.447 58 G N -0.715 107.234 108.800 -1.418 0.000 2.432 58 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 58 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 58 G C 1.024 175.090 174.900 -1.390 0.000 1.135 58 G CA 0.567 44.089 45.100 -2.630 0.000 0.767 58 G HN 0.320 nan 8.290 nan 0.000 0.550 59 F N 0.770 120.444 119.950 -0.461 0.000 2.270 59 F HA 0.178 4.705 4.527 0.000 0.000 0.295 59 F C 2.663 178.345 175.800 -0.196 0.000 1.087 59 F CA 0.996 58.902 58.000 -0.157 0.000 1.365 59 F CB -0.129 38.819 39.000 -0.086 0.000 1.056 59 F HN 0.154 nan 8.300 nan 0.000 0.506 60 E N 0.344 120.493 120.200 -0.085 0.000 2.077 60 E HA -0.197 4.153 4.350 0.000 0.000 0.193 60 E C 1.625 178.130 176.600 -0.157 0.000 0.989 60 E CA 1.508 57.855 56.400 -0.087 0.000 0.800 60 E CB -0.238 29.414 29.700 -0.079 0.000 0.746 60 E HN 0.513 nan 8.360 nan 0.000 0.452 61 E N 0.336 120.361 120.200 -0.291 0.000 2.479 61 E HA -0.006 4.344 4.350 0.000 0.000 0.193 61 E C -0.421 175.970 176.600 -0.349 0.000 1.049 61 E CA -0.089 56.164 56.400 -0.245 0.000 0.870 61 E CB 0.292 29.926 29.700 -0.111 0.000 0.944 61 E HN 0.183 nan 8.360 nan 0.000 0.492 62 Q N -0.436 119.045 119.800 -0.531 0.000 2.443 62 Q HA -0.203 4.137 4.340 0.000 0.000 0.337 62 Q C -0.208 175.205 176.000 -0.978 0.000 1.401 62 Q CA 0.061 55.304 55.803 -0.932 0.000 0.943 62 Q CB -1.294 26.970 28.738 -0.790 0.000 1.177 62 Q HN 0.491 nan 8.270 nan 0.000 0.394 63 W N -0.351 120.363 121.300 -0.977 0.000 2.331 63 W HA -0.240 4.420 4.660 0.000 0.000 0.291 63 W C 2.039 178.142 176.519 -0.694 0.000 1.214 63 W CA 1.832 58.671 57.345 -0.843 0.000 1.228 63 W CB -1.304 27.502 29.460 -1.091 0.000 1.135 63 W HN 0.760 nan 8.180 nan 0.000 0.537 64 Y N -0.202 119.870 120.300 -0.380 0.000 2.384 64 Y HA -0.038 4.512 4.550 0.000 0.000 0.289 64 Y C 2.115 177.839 175.900 -0.293 0.000 1.152 64 Y CA 0.944 58.765 58.100 -0.465 0.000 1.258 64 Y CB -1.341 36.295 38.460 -1.373 0.000 0.979 64 Y HN -0.224 nan 8.280 nan 0.000 0.549 65 R N 0.788 121.020 120.500 -0.447 0.000 2.189 65 R HA 0.096 4.436 4.340 0.000 0.000 0.223 65 R C 0.155 176.363 176.300 -0.154 0.000 1.092 65 R CA 0.596 56.567 56.100 -0.216 0.000 0.989 65 R CB -0.153 29.971 30.300 -0.294 0.000 0.876 65 R HN 0.333 nan 8.270 nan 0.000 0.457 66 R N -0.301 120.074 120.500 -0.209 0.000 2.836 66 R HA 0.415 4.755 4.340 0.000 0.000 0.269 66 R C -2.665 173.496 176.300 -0.232 0.000 1.010 66 R CA -2.911 53.059 56.100 -0.217 0.000 0.930 66 R CB 0.372 30.490 30.300 -0.304 0.000 1.218 66 R HN -0.213 nan 8.270 nan 0.000 0.473 67 P HA -0.099 nan 4.420 nan 0.000 0.263 67 P C 0.921 177.981 177.300 -0.400 0.000 1.168 67 P CA 0.061 63.020 63.100 -0.235 0.000 0.759 67 P CB 0.466 32.032 31.700 -0.224 0.000 0.782 68 L N 5.367 126.478 121.223 -0.187 0.000 2.083 68 L HA -0.106 4.234 4.340 0.000 0.000 0.209 68 L C 1.959 178.631 176.870 -0.331 0.000 1.083 68 L CA 1.476 56.176 54.840 -0.235 0.000 0.752 68 L CB -1.315 40.720 42.059 -0.040 0.000 0.899 68 L HN 0.592 nan 8.230 nan 0.000 0.433 69 W N -0.392 120.805 121.300 -0.171 0.000 2.364 69 W HA -0.171 4.489 4.660 0.000 0.000 0.281 69 W C 1.448 177.841 176.519 -0.210 0.000 1.219 69 W CA 0.954 58.193 57.345 -0.176 0.000 1.220 69 W CB -0.975 28.423 29.460 -0.103 0.000 1.127 69 W HN 0.309 nan 8.180 nan 0.000 0.556 70 E N 1.181 120.708 120.200 -1.121 0.000 2.268 70 E HA -0.137 4.213 4.350 0.000 0.000 0.195 70 E C 2.179 178.435 176.600 -0.573 0.000 0.995 70 E CA 1.806 57.579 56.400 -1.045 0.000 0.836 70 E CB -0.135 28.890 29.700 -1.125 0.000 0.763 70 E HN 0.297 nan 8.360 nan 0.000 0.491 71 S N -0.450 114.874 115.700 -0.627 0.000 2.575 71 S HA 0.325 4.795 4.470 0.000 0.000 0.215 71 S C 0.722 174.933 174.600 -0.648 0.000 0.966 71 S CA 0.006 57.782 58.200 -0.707 0.000 0.911 71 S CB 1.107 63.560 63.200 -1.245 0.000 0.780 71 S HN 0.328 nan 8.310 nan 0.000 0.514 72 G N 1.144 109.666 108.800 -0.464 0.000 2.356 72 G HA2 0.339 4.299 3.960 0.000 0.000 0.288 72 G HA3 0.339 4.299 3.960 0.000 0.000 0.288 72 G C -3.570 171.214 174.900 -0.192 0.000 1.302 72 G CA -1.105 43.814 45.100 -0.303 0.000 0.887 72 G HN 0.031 nan 8.290 nan 0.000 0.521 73 P HA 0.373 nan 4.420 nan 0.000 0.268 73 P C 0.133 177.396 177.300 -0.062 0.000 1.204 73 P CA 0.379 63.448 63.100 -0.051 0.000 0.768 73 P CB 0.938 32.624 31.700 -0.024 0.000 0.842 74 T N -0.677 113.877 114.554 0.001 0.000 2.901 74 T HA 0.761 5.111 4.350 0.000 0.000 0.293 74 T C -0.214 174.538 174.700 0.087 0.000 1.084 74 T CA -0.806 61.316 62.100 0.037 0.000 1.008 74 T CB 1.338 70.243 68.868 0.061 0.000 1.170 74 T HN 0.282 nan 8.240 nan 0.000 0.509 75 V N -1.879 118.124 119.914 0.148 0.000 3.102 75 V HA 0.690 4.810 4.120 0.000 0.000 0.312 75 V C -1.177 175.012 176.094 0.159 0.000 1.135 75 V CA -1.212 61.170 62.300 0.136 0.000 1.022 75 V CB 1.827 33.730 31.823 0.133 0.000 1.056 75 V HN 0.905 nan 8.190 nan 0.000 0.436 76 D N 2.019 122.487 120.400 0.114 0.000 2.382 76 D HA 0.559 5.199 4.640 0.000 0.000 0.245 76 D C -0.482 175.871 176.300 0.089 0.000 1.120 76 D CA 0.394 54.472 54.000 0.129 0.000 0.890 76 D CB 1.457 42.317 40.800 0.100 0.000 1.201 76 D HN 0.648 nan 8.370 nan 0.000 0.433 77 M N 3.423 123.113 119.600 0.149 0.000 2.224 77 M HA 0.310 4.790 4.480 0.000 0.000 0.281 77 M C -2.801 173.631 176.300 0.219 0.000 1.025 77 M CA -2.219 53.121 55.300 0.067 0.000 0.954 77 M CB 2.595 35.113 32.600 -0.137 0.000 1.639 77 M HN -0.025 nan 8.290 nan 0.000 0.461 78 P HA 0.318 nan 4.420 nan 0.000 0.275 78 P C -1.256 176.131 177.300 0.146 0.000 1.228 78 P CA -0.272 62.929 63.100 0.168 0.000 0.786 78 P CB 0.884 32.646 31.700 0.103 0.000 0.927 79 V N 4.641 124.639 119.914 0.140 0.000 2.577 79 V HA 0.350 4.470 4.120 0.000 0.000 0.303 79 V C -2.255 173.884 176.094 0.075 0.000 1.042 79 V CA -2.066 60.228 62.300 -0.010 0.000 0.872 79 V CB 2.154 33.766 31.823 -0.352 0.000 0.998 79 V HN 0.539 nan 8.190 nan 0.000 0.423 80 P HA 0.441 nan 4.420 nan 0.000 0.279 80 P C -0.563 176.738 177.300 0.001 0.000 1.239 80 P CA 0.013 63.106 63.100 -0.011 0.000 0.789 80 P CB 1.637 33.354 31.700 0.028 0.000 0.933 81 S N 1.084 116.772 115.700 -0.019 0.000 2.622 81 S HA 0.347 4.817 4.470 0.000 0.000 0.275 81 S C -0.944 173.651 174.600 -0.009 0.000 1.112 81 S CA -0.550 57.637 58.200 -0.021 0.000 0.837 81 S CB 0.423 63.630 63.200 0.012 0.000 1.082 81 S HN 0.324 nan 8.310 nan 0.000 0.456 82 S N 1.854 117.512 115.700 -0.070 0.000 2.592 82 S HA 0.378 4.848 4.470 0.000 0.000 0.271 82 S C 0.855 175.481 174.600 0.042 0.000 1.326 82 S CA -0.243 57.927 58.200 -0.050 0.000 1.024 82 S CB 0.242 63.338 63.200 -0.172 0.000 0.921 82 S HN 0.700 nan 8.310 nan 0.000 0.527 83 F N 0.993 121.043 119.950 0.167 0.000 2.664 83 F HA 0.254 4.781 4.527 -0.000 0.000 0.296 83 F C 1.075 176.933 175.800 0.096 0.000 1.125 83 F CA 0.083 58.106 58.000 0.037 0.000 1.444 83 F CB -1.085 37.887 39.000 -0.047 0.000 1.114 83 F HN 0.374 nan 8.300 nan 0.000 0.576 84 N N 0.599 119.341 118.700 0.070 0.000 2.270 84 N HA -0.112 4.628 4.740 0.000 0.000 0.181 84 N C 0.683 176.319 175.510 0.210 0.000 1.016 84 N CA 1.454 54.635 53.050 0.219 0.000 0.870 84 N CB -0.259 38.370 38.487 0.237 0.000 0.979 84 N HN 0.269 nan 8.380 nan 0.000 0.431 85 D N -0.694 119.815 120.400 0.181 0.000 2.431 85 D HA 0.154 4.794 4.640 0.000 0.000 0.213 85 D C 1.200 177.540 176.300 0.067 0.000 1.130 85 D CA -0.079 53.984 54.000 0.105 0.000 0.834 85 D CB 0.429 41.294 40.800 0.110 0.000 0.985 85 D HN 0.127 nan 8.370 nan 0.000 0.504 86 I N 0.607 121.223 120.570 0.076 0.000 2.500 86 I HA -0.060 4.110 4.170 0.000 0.000 0.252 86 I C 1.451 177.597 176.117 0.048 0.000 1.142 86 I CA 0.787 62.114 61.300 0.044 0.000 1.451 86 I CB -0.640 37.374 38.000 0.023 0.000 1.093 86 I HN -0.077 nan 8.210 nan 0.000 0.430 87 S N 0.453 116.196 115.700 0.072 0.000 2.745 87 S HA 0.306 4.776 4.470 0.000 0.000 0.292 87 S C 0.498 175.154 174.600 0.095 0.000 1.133 87 S CA -0.555 57.695 58.200 0.084 0.000 0.998 87 S CB 1.943 65.206 63.200 0.105 0.000 1.087 87 S HN 0.119 nan 8.310 nan 0.000 0.551 88 Q N 0.593 120.462 119.800 0.115 0.000 2.246 88 Q HA 0.294 4.634 4.340 0.000 0.000 0.202 88 Q C -0.706 175.448 176.000 0.256 0.000 0.883 88 Q CA 0.024 55.912 55.803 0.142 0.000 0.952 88 Q CB -0.407 28.417 28.738 0.143 0.000 1.078 88 Q HN 0.698 nan 8.270 nan 0.000 0.493 89 D N -0.358 120.189 120.400 0.245 0.000 2.336 89 D HA -0.019 4.621 4.640 0.000 0.000 0.249 89 D C 0.271 176.800 176.300 0.382 0.000 1.213 89 D CA -0.320 53.868 54.000 0.314 0.000 0.870 89 D CB 0.319 41.262 40.800 0.238 0.000 1.076 89 D HN -0.006 nan 8.370 nan 0.000 0.483 90 W N 3.821 125.188 121.300 0.111 0.000 2.318 90 W HA -0.159 4.501 4.660 -0.000 0.000 0.313 90 W C 2.161 178.810 176.519 0.217 0.000 1.221 90 W CA 0.575 58.007 57.345 0.146 0.000 1.266 90 W CB -0.440 29.088 29.460 0.114 0.000 1.150 90 W HN 0.455 nan 8.180 nan 0.000 0.496 91 R N -0.491 120.268 120.500 0.432 0.000 2.193 91 R HA -0.017 4.323 4.340 0.000 0.000 0.213 91 R C 1.955 178.596 176.300 0.568 0.000 1.055 91 R CA 0.731 57.078 56.100 0.413 0.000 0.995 91 R CB -0.898 29.523 30.300 0.201 0.000 0.893 91 R HN 0.212 nan 8.270 nan 0.000 0.459 92 L N 1.394 122.925 121.223 0.514 0.000 2.072 92 L HA -0.042 4.298 4.340 0.000 0.000 0.205 92 L C 2.472 179.671 176.870 0.549 0.000 1.079 92 L CA 1.576 56.745 54.840 0.549 0.000 0.752 92 L CB -0.476 41.841 42.059 0.430 0.000 0.906 92 L HN -0.038 nan 8.230 nan 0.000 0.436 93 R N -1.214 119.487 120.500 0.335 0.000 2.091 93 R HA -0.191 4.149 4.340 0.000 0.000 0.238 93 R C 1.094 177.449 176.300 0.091 0.000 1.136 93 R CA 1.993 58.166 56.100 0.122 0.000 0.959 93 R CB -0.248 29.917 30.300 -0.224 0.000 0.856 93 R HN 0.565 nan 8.270 nan 0.000 0.437 94 H N -1.718 117.591 119.070 0.399 0.000 2.505 94 H HA 0.102 4.658 4.556 -0.000 0.000 0.286 94 H C -0.614 174.872 175.328 0.264 0.000 1.072 94 H CA -0.683 55.546 56.048 0.303 0.000 1.141 94 H CB 0.104 29.981 29.762 0.191 0.000 1.550 94 H HN 0.065 nan 8.280 nan 0.000 0.547 95 F N 2.044 122.198 119.950 0.340 0.000 2.607 95 F HA 0.170 4.697 4.527 -0.000 0.000 0.374 95 F C -0.217 175.701 175.800 0.196 0.000 1.104 95 F CA -0.171 57.999 58.000 0.284 0.000 1.296 95 F CB 0.484 39.648 39.000 0.273 0.000 1.085 95 F HN -0.183 nan 8.300 nan 0.000 0.584 96 V N 6.152 125.586 119.914 -0.800 0.000 2.525 96 V HA 0.835 4.955 4.120 0.000 0.000 0.299 96 V C 0.163 175.668 176.094 -0.982 0.000 1.034 96 V CA 0.202 62.123 62.300 -0.632 0.000 0.863 96 V CB 0.665 32.399 31.823 -0.149 0.000 0.999 96 V HN 1.276 nan 8.190 nan 0.000 0.423 97 G N 4.026 112.363 108.800 -0.773 0.000 2.347 97 G HA2 0.043 4.003 3.960 0.000 0.000 0.224 97 G HA3 0.043 4.003 3.960 0.000 0.000 0.224 97 G C -2.033 172.827 174.900 -0.068 0.000 1.318 97 G CA -0.762 44.080 45.100 -0.431 0.000 1.016 97 G HN 0.499 nan 8.290 nan 0.000 0.469 98 W N 1.048 122.582 121.300 0.391 0.000 2.433 98 W HA 0.595 5.255 4.660 -0.000 0.000 0.315 98 W C 0.558 177.297 176.519 0.367 0.000 1.087 98 W CA -0.456 57.104 57.345 0.358 0.000 1.205 98 W CB 1.863 31.556 29.460 0.389 0.000 1.288 98 W HN 0.564 nan 8.180 nan 0.000 0.504 99 V N 0.614 120.755 119.914 0.378 0.000 2.769 99 V HA 0.675 4.795 4.120 0.000 0.000 0.312 99 V C -1.437 174.668 176.094 0.018 0.000 1.058 99 V CA -1.350 60.951 62.300 0.003 0.000 0.952 99 V CB 1.327 32.992 31.823 -0.263 0.000 1.019 99 V HN 0.551 nan 8.190 nan 0.000 0.445 100 W N 2.162 123.295 121.300 -0.279 0.000 2.600 100 W HA 0.759 5.419 4.660 -0.000 0.000 0.325 100 W C -1.033 175.428 176.519 -0.096 0.000 1.034 100 W CA -0.526 56.822 57.345 0.005 0.000 1.226 100 W CB 1.495 30.999 29.460 0.073 0.000 1.379 100 W HN 0.601 nan 8.180 nan 0.000 0.466 101 Y N 1.524 122.047 120.300 0.373 0.000 2.468 101 Y HA 0.535 5.085 4.550 0.000 0.000 0.342 101 Y C 0.062 176.325 175.900 0.606 0.000 1.021 101 Y CA -1.113 57.282 58.100 0.492 0.000 1.079 101 Y CB 2.377 41.079 38.460 0.403 0.000 1.226 101 Y HN 0.374 nan 8.280 nan 0.000 0.460 102 E N 2.115 122.807 120.200 0.820 0.000 2.352 102 E HA 0.552 4.902 4.350 0.000 0.000 0.280 102 E C -1.770 174.964 176.600 0.223 0.000 0.930 102 E CA -0.968 55.754 56.400 0.538 0.000 0.765 102 E CB 2.015 31.917 29.700 0.337 0.000 1.219 102 E HN 0.664 nan 8.360 nan 0.000 0.434 103 R N 2.144 122.517 120.500 -0.211 0.000 2.673 103 R HA 0.353 4.693 4.340 0.000 0.000 0.281 103 R C -1.356 174.783 176.300 -0.269 0.000 0.991 103 R CA -0.437 55.316 56.100 -0.578 0.000 0.896 103 R CB 1.646 30.993 30.300 -1.587 0.000 1.201 103 R HN 0.435 nan 8.270 nan 0.000 0.457 104 E N 2.584 122.674 120.200 -0.182 0.000 2.179 104 E HA 0.406 4.756 4.350 0.000 0.000 0.275 104 E C -1.018 175.518 176.600 -0.106 0.000 0.945 104 E CA -0.981 55.366 56.400 -0.089 0.000 0.792 104 E CB 2.345 32.028 29.700 -0.028 0.000 1.125 104 E HN 0.250 nan 8.360 nan 0.000 0.397 105 V N 4.191 124.065 119.914 -0.067 0.000 2.588 105 V HA 0.356 4.476 4.120 0.000 0.000 0.304 105 V C -0.044 176.024 176.094 -0.043 0.000 1.042 105 V CA -0.743 61.521 62.300 -0.060 0.000 0.877 105 V CB 1.613 33.414 31.823 -0.037 0.000 0.996 105 V HN 0.618 nan 8.190 nan 0.000 0.425 106 I N 5.526 126.059 120.570 -0.061 0.000 2.337 106 I HA 0.292 4.462 4.170 0.000 0.000 0.291 106 I C -0.172 175.872 176.117 -0.123 0.000 1.046 106 I CA -0.027 61.230 61.300 -0.071 0.000 1.324 106 I CB 0.716 38.673 38.000 -0.071 0.000 1.409 106 I HN 0.372 nan 8.210 nan 0.000 0.494 107 L N 8.052 129.202 121.223 -0.122 0.000 2.379 107 L HA 0.445 4.785 4.340 0.000 0.000 0.269 107 L C -2.029 174.652 176.870 -0.315 0.000 1.084 107 L CA -1.944 52.754 54.840 -0.237 0.000 0.802 107 L CB 0.578 42.606 42.059 -0.053 0.000 1.175 107 L HN 0.311 nan 8.230 nan 0.000 0.448 108 P HA 0.031 nan 4.420 nan 0.000 0.266 108 P C 0.227 177.390 177.300 -0.229 0.000 1.195 108 P CA -0.047 62.765 63.100 -0.481 0.000 0.768 108 P CB 0.568 31.780 31.700 -0.813 0.000 0.838 109 E N 2.335 122.467 120.200 -0.113 0.000 2.118 109 E HA -0.251 4.099 4.350 0.000 0.000 0.195 109 E C 1.879 178.504 176.600 0.042 0.000 0.992 109 E CA 1.102 57.488 56.400 -0.023 0.000 0.804 109 E CB -0.094 29.595 29.700 -0.018 0.000 0.741 109 E HN 0.523 nan 8.360 nan 0.000 0.458 110 R N 0.326 120.860 120.500 0.057 0.000 2.120 110 R HA -0.155 4.185 4.340 0.000 0.000 0.234 110 R C 1.742 178.203 176.300 0.268 0.000 1.123 110 R CA 1.365 57.550 56.100 0.142 0.000 0.975 110 R CB -0.559 29.833 30.300 0.153 0.000 0.866 110 R HN 0.149 nan 8.270 nan 0.000 0.446 111 W N 2.189 123.487 121.300 -0.002 0.000 2.358 111 W HA -0.074 4.586 4.660 0.000 0.000 0.303 111 W C 2.627 179.141 176.519 -0.008 0.000 1.208 111 W CA 1.787 59.127 57.345 -0.008 0.000 1.274 111 W CB -1.151 28.301 29.460 -0.013 0.000 1.138 111 W HN 0.365 nan 8.180 nan 0.000 0.515 112 T N -2.768 111.922 114.554 0.227 0.000 2.978 112 T HA -0.083 4.267 4.350 0.000 0.000 0.262 112 T C 1.542 176.294 174.700 0.087 0.000 1.063 112 T CA 0.979 63.157 62.100 0.128 0.000 1.140 112 T CB -0.208 68.715 68.868 0.092 0.000 0.886 112 T HN -0.022 nan 8.240 nan 0.000 0.470 113 Q N 0.992 120.843 119.800 0.085 0.000 2.259 113 Q HA 0.187 4.527 4.340 0.000 0.000 0.201 113 Q C 0.464 176.498 176.000 0.057 0.000 0.938 113 Q CA 0.622 56.461 55.803 0.060 0.000 0.872 113 Q CB -0.247 28.521 28.738 0.049 0.000 0.971 113 Q HN 0.501 nan 8.270 nan 0.000 0.494 114 D N 1.094 121.537 120.400 0.071 0.000 2.393 114 D HA 0.103 4.743 4.640 0.000 0.000 0.232 114 D C 0.806 177.131 176.300 0.042 0.000 1.192 114 D CA -0.073 53.962 54.000 0.057 0.000 0.882 114 D CB 0.575 41.417 40.800 0.070 0.000 1.038 114 D HN 0.044 nan 8.370 nan 0.000 0.499 115 L N 3.305 124.547 121.223 0.031 0.000 2.549 115 L HA -0.020 4.320 4.340 0.000 0.000 0.229 115 L C 2.056 178.932 176.870 0.009 0.000 1.158 115 L CA 0.436 55.287 54.840 0.019 0.000 0.842 115 L CB -0.086 41.985 42.059 0.019 0.000 0.952 115 L HN 0.223 nan 8.230 nan 0.000 0.452 116 R N -0.725 119.782 120.500 0.013 0.000 2.276 116 R HA 0.015 4.355 4.340 0.000 0.000 0.203 116 R C 0.421 176.710 176.300 -0.018 0.000 1.017 116 R CA 0.302 56.406 56.100 0.007 0.000 1.010 116 R CB -0.204 30.107 30.300 0.018 0.000 0.900 116 R HN 0.199 nan 8.270 nan 0.000 0.469 117 T N 1.367 115.900 114.554 -0.035 0.000 2.832 117 T HA 0.164 4.514 4.350 0.000 0.000 0.296 117 T C -0.082 174.528 174.700 -0.151 0.000 0.968 117 T CA -0.379 61.656 62.100 -0.108 0.000 1.107 117 T CB 1.412 70.208 68.868 -0.121 0.000 0.916 117 T HN 0.129 nan 8.240 nan 0.000 0.517 118 R N 2.793 123.162 120.500 -0.218 0.000 2.255 118 R HA 0.511 4.851 4.340 0.000 0.000 0.326 118 R C -1.308 174.742 176.300 -0.416 0.000 0.986 118 R CA -0.478 55.459 56.100 -0.270 0.000 0.847 118 R CB 0.519 30.647 30.300 -0.288 0.000 1.111 118 R HN 0.439 nan 8.270 nan 0.000 0.452 119 V N 5.796 125.482 119.914 -0.380 0.000 2.398 119 V HA 0.363 4.483 4.120 0.000 0.000 0.286 119 V C -0.380 175.454 176.094 -0.432 0.000 1.026 119 V CA -0.681 61.339 62.300 -0.467 0.000 0.868 119 V CB 1.647 33.296 31.823 -0.290 0.000 0.982 119 V HN 0.521 nan 8.190 nan 0.000 0.443 120 V N 5.964 125.512 119.914 -0.611 0.000 2.495 120 V HA 0.470 4.590 4.120 0.000 0.000 0.298 120 V C -0.465 175.392 176.094 -0.396 0.000 1.031 120 V CA -0.711 61.220 62.300 -0.615 0.000 0.871 120 V CB 1.886 33.002 31.823 -1.178 0.000 0.988 120 V HN 0.672 nan 8.190 nan 0.000 0.432 121 L N 5.375 126.481 121.223 -0.195 0.000 2.265 121 L HA 0.705 5.045 4.340 0.000 0.000 0.289 121 L C -0.242 176.593 176.870 -0.059 0.000 1.033 121 L CA -0.204 54.597 54.840 -0.065 0.000 0.814 121 L CB 0.952 43.008 42.059 -0.005 0.000 1.203 121 L HN 0.734 nan 8.230 nan 0.000 0.423 122 R N 5.832 126.322 120.500 -0.017 0.000 2.393 122 R HA 0.596 4.936 4.340 0.000 0.000 0.315 122 R C -1.544 174.645 176.300 -0.186 0.000 0.952 122 R CA -0.504 55.559 56.100 -0.060 0.000 0.842 122 R CB 0.712 31.064 30.300 0.087 0.000 1.163 122 R HN 0.550 nan 8.270 nan 0.000 0.450 123 I N 5.244 125.536 120.570 -0.462 0.000 2.312 123 I HA 0.285 4.455 4.170 0.000 0.000 0.290 123 I C 1.425 177.189 176.117 -0.589 0.000 1.008 123 I CA -0.439 60.483 61.300 -0.631 0.000 1.226 123 I CB 0.772 38.034 38.000 -1.229 0.000 1.371 123 I HN 0.960 nan 8.210 nan 0.000 0.468 124 G N 5.365 113.971 108.800 -0.323 0.000 2.440 124 G HA2 -0.080 3.880 3.960 0.000 0.000 0.218 124 G HA3 -0.080 3.880 3.960 0.000 0.000 0.218 124 G C 0.509 175.298 174.900 -0.184 0.000 1.154 124 G CA 1.099 46.076 45.100 -0.205 0.000 0.767 124 G HN 0.694 nan 8.290 nan 0.000 0.552 125 S N -3.058 112.527 115.700 -0.190 0.000 2.595 125 S HA 0.766 5.236 4.470 0.000 0.000 0.270 125 S C -0.417 174.184 174.600 0.002 0.000 1.145 125 S CA 0.119 58.281 58.200 -0.064 0.000 0.825 125 S CB 1.457 64.620 63.200 -0.063 0.000 1.107 125 S HN 1.105 nan 8.310 nan 0.000 0.461 126 A N 0.700 123.591 122.820 0.119 0.000 2.597 126 A HA 0.873 5.193 4.320 0.000 0.000 0.191 126 A C 0.016 177.624 177.584 0.040 0.000 1.336 126 A CA 0.002 52.113 52.037 0.123 0.000 1.516 126 A CB -0.150 19.018 19.000 0.281 0.000 1.849 126 A HN 1.062 nan 8.150 nan 0.000 0.640 127 H N -2.333 116.714 119.070 -0.039 0.000 3.619 127 H HA 0.326 4.882 4.556 0.000 0.000 0.314 127 H C 1.342 176.621 175.328 -0.082 0.000 1.587 127 H CA 0.348 56.336 56.048 -0.100 0.000 1.172 127 H CB 0.575 30.311 29.762 -0.044 0.000 1.730 127 H HN 0.379 nan 8.280 nan 0.000 0.780 128 S N -0.538 115.311 115.700 0.248 0.000 2.374 128 S HA -0.126 4.344 4.470 0.000 0.000 0.227 128 S C 0.032 174.658 174.600 0.044 0.000 1.037 128 S CA 1.600 59.851 58.200 0.085 0.000 1.024 128 S CB -0.091 63.154 63.200 0.074 0.000 0.861 128 S HN 0.344 nan 8.310 nan 0.000 0.456 129 Y N -0.736 119.500 120.300 -0.106 0.000 2.504 129 Y HA 0.581 5.131 4.550 -0.000 0.000 0.344 129 Y C -0.922 174.977 175.900 -0.001 0.000 1.023 129 Y CA -0.959 57.079 58.100 -0.103 0.000 1.020 129 Y CB 1.544 39.925 38.460 -0.132 0.000 1.282 129 Y HN 0.029 nan 8.280 nan 0.000 0.454 130 A N 5.566 128.287 122.820 -0.166 0.000 2.427 130 A HA 0.806 5.126 4.320 0.000 0.000 0.298 130 A C -1.784 175.774 177.584 -0.043 0.000 1.036 130 A CA -0.529 51.533 52.037 0.042 0.000 0.701 130 A CB 0.845 19.858 19.000 0.022 0.000 1.250 130 A HN 0.642 nan 8.150 nan 0.000 0.412 131 I N 1.853 122.452 120.570 0.048 0.000 2.530 131 I HA 0.569 4.739 4.170 0.000 0.000 0.297 131 I C -0.797 175.046 176.117 -0.457 0.000 1.011 131 I CA -1.082 60.039 61.300 -0.299 0.000 1.107 131 I CB 2.242 39.928 38.000 -0.522 0.000 1.285 131 I HN 0.324 nan 8.210 nan 0.000 0.436 132 V N 4.500 124.120 119.914 -0.491 0.000 2.487 132 V HA 0.416 4.536 4.120 0.000 0.000 0.298 132 V C -0.870 175.005 176.094 -0.364 0.000 1.028 132 V CA -0.595 61.569 62.300 -0.227 0.000 0.860 132 V CB 1.857 33.700 31.823 0.035 0.000 0.991 132 V HN 0.590 nan 8.190 nan 0.000 0.427 133 W N 2.958 124.310 121.300 0.086 0.000 2.606 133 W HA 0.715 5.375 4.660 0.000 0.000 0.332 133 W C -0.944 175.643 176.519 0.114 0.000 1.052 133 W CA -0.723 56.665 57.345 0.072 0.000 1.223 133 W CB 2.188 31.696 29.460 0.080 0.000 1.383 133 W HN 0.271 nan 8.180 nan 0.000 0.524 134 V N 3.995 124.085 119.914 0.294 0.000 2.407 134 V HA 0.111 4.231 4.120 0.000 0.000 0.291 134 V C 0.130 176.344 176.094 0.201 0.000 1.018 134 V CA -0.904 61.523 62.300 0.212 0.000 0.842 134 V CB 1.128 33.033 31.823 0.138 0.000 0.996 134 V HN 0.664 nan 8.190 nan 0.000 0.426 135 N N 4.257 123.065 118.700 0.181 0.000 2.716 135 N HA -0.227 4.513 4.740 0.000 0.000 0.250 135 N C 1.221 176.835 175.510 0.172 0.000 1.033 135 N CA 1.533 54.670 53.050 0.145 0.000 0.727 135 N CB -1.056 37.496 38.487 0.107 0.000 0.950 135 N HN 1.508 nan 8.380 nan 0.000 0.541 136 G N -2.973 105.974 108.800 0.245 0.000 2.179 136 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 136 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 136 G C 0.027 175.156 174.900 0.382 0.000 0.977 136 G CA 0.343 45.615 45.100 0.286 0.000 0.641 136 G HN 0.519 nan 8.290 nan 0.000 0.533 137 V N 1.570 121.685 119.914 0.336 0.000 2.383 137 V HA 0.419 4.539 4.120 0.000 0.000 0.275 137 V C 0.489 176.749 176.094 0.278 0.000 1.036 137 V CA -0.901 61.568 62.300 0.282 0.000 0.889 137 V CB 1.641 33.564 31.823 0.166 0.000 0.985 137 V HN 0.316 nan 8.190 nan 0.000 0.459 138 D N 3.848 124.382 120.400 0.223 0.000 2.502 138 D HA 0.039 4.679 4.640 0.000 0.000 0.249 138 D C 0.880 177.121 176.300 -0.098 0.000 1.188 138 D CA 0.785 54.714 54.000 -0.119 0.000 0.890 138 D CB 1.132 41.886 40.800 -0.076 0.000 1.140 138 D HN 0.713 nan 8.370 nan 0.000 0.505 139 T N 2.792 117.246 114.554 -0.167 0.000 3.010 139 T HA 0.171 4.521 4.350 0.000 0.000 0.253 139 T C -0.241 174.419 174.700 -0.067 0.000 0.939 139 T CA -0.318 61.742 62.100 -0.067 0.000 0.910 139 T CB 0.486 69.349 68.868 -0.010 0.000 1.226 139 T HN 0.300 nan 8.240 nan 0.000 0.508 140 L N 1.425 122.578 121.223 -0.117 0.000 2.592 140 L HA 0.567 4.907 4.340 0.000 0.000 0.258 140 L C -2.121 174.678 176.870 -0.117 0.000 0.926 140 L CA -0.328 54.483 54.840 -0.048 0.000 0.885 140 L CB 2.132 44.229 42.059 0.064 0.000 1.380 140 L HN -0.043 nan 8.230 nan 0.000 0.415 141 E N 3.243 123.362 120.200 -0.135 0.000 2.340 141 E HA 0.503 4.853 4.350 0.000 0.000 0.273 141 E C -1.771 174.578 176.600 -0.419 0.000 0.891 141 E CA -0.883 55.358 56.400 -0.267 0.000 0.757 141 E CB 2.488 32.105 29.700 -0.139 0.000 1.231 141 E HN 0.601 nan 8.360 nan 0.000 0.439 142 H N 1.424 119.948 119.070 -0.910 0.000 3.038 142 H HA 0.202 4.758 4.556 -0.000 0.000 0.362 142 H C -1.597 173.148 175.328 -0.972 0.000 1.167 142 H CA -0.478 54.986 56.048 -0.973 0.000 1.197 142 H CB 2.180 30.935 29.762 -1.678 0.000 1.840 142 H HN 0.449 nan 8.280 nan 0.000 0.540 143 E N 2.406 121.908 120.200 -1.163 0.000 2.171 143 E HA 0.479 4.829 4.350 0.000 0.000 0.271 143 E C -0.398 175.895 176.600 -0.511 0.000 0.916 143 E CA 0.141 56.135 56.400 -0.677 0.000 0.774 143 E CB 1.320 30.821 29.700 -0.331 0.000 1.128 143 E HN 1.009 nan 8.360 nan 0.000 0.403 144 G N 2.209 110.900 108.800 -0.182 0.000 2.712 144 G HA2 0.062 4.022 3.960 0.000 0.000 0.686 144 G HA3 0.062 4.022 3.960 0.000 0.000 0.686 144 G C -0.002 174.916 174.900 0.029 0.000 1.181 144 G CA -0.512 44.582 45.100 -0.009 0.000 0.762 144 G HN 0.672 nan 8.290 nan 0.000 0.641 145 G N -0.721 108.016 108.800 -0.104 0.000 2.522 145 G HA2 0.712 4.672 3.960 0.000 0.000 0.304 145 G HA3 0.712 4.672 3.960 0.000 0.000 0.304 145 G C 0.363 175.164 174.900 -0.166 0.000 1.210 145 G CA 0.397 45.275 45.100 -0.370 0.000 0.960 145 G HN 1.904 nan 8.290 nan 0.000 0.497 146 Y N -3.081 117.217 120.300 -0.003 0.000 4.841 146 Y HA -0.169 4.381 4.550 -0.000 0.000 0.242 146 Y C 0.293 176.236 175.900 0.073 0.000 1.002 146 Y CA 0.346 58.464 58.100 0.031 0.000 2.011 146 Y CB -2.341 36.158 38.460 0.065 0.000 1.554 146 Y HN 0.342 nan 8.280 nan 0.000 0.618 147 L N 1.245 122.558 121.223 0.150 0.000 2.445 147 L HA 0.588 4.928 4.340 0.000 0.000 0.262 147 L C -2.421 174.462 176.870 0.022 0.000 0.974 147 L CA -1.977 52.935 54.840 0.121 0.000 0.822 147 L CB 3.086 45.251 42.059 0.178 0.000 1.339 147 L HN -0.358 nan 8.230 nan 0.000 0.409 148 P HA 0.367 nan 4.420 nan 0.000 0.276 148 P C -1.419 175.838 177.300 -0.072 0.000 1.244 148 P CA -0.135 62.901 63.100 -0.108 0.000 0.801 148 P CB 0.882 32.550 31.700 -0.053 0.000 1.006 149 F N -1.664 118.134 119.950 -0.253 0.000 2.668 149 F HA 0.773 5.300 4.527 -0.000 0.000 0.309 149 F C -0.782 174.965 175.800 -0.090 0.000 1.117 149 F CA -1.235 56.643 58.000 -0.202 0.000 0.951 149 F CB 1.646 40.444 39.000 -0.337 0.000 1.323 149 F HN 0.461 nan 8.300 nan 0.000 0.451 150 E N 1.423 121.679 120.200 0.092 0.000 2.430 150 E HA 0.875 5.225 4.350 0.000 0.000 0.279 150 E C -2.048 174.576 176.600 0.040 0.000 1.003 150 E CA -1.543 54.865 56.400 0.014 0.000 0.801 150 E CB 2.252 31.959 29.700 0.013 0.000 1.313 150 E HN 1.258 nan 8.360 nan 0.000 0.459 151 A N 1.221 124.032 122.820 -0.015 0.000 2.520 151 A HA 0.420 4.740 4.320 0.000 0.000 0.298 151 A C -1.557 175.972 177.584 -0.092 0.000 1.051 151 A CA -0.803 51.218 52.037 -0.026 0.000 0.690 151 A CB 1.805 20.806 19.000 0.003 0.000 1.281 151 A HN 0.654 nan 8.150 nan 0.000 0.402 152 D N 2.100 122.442 120.400 -0.096 0.000 2.338 152 D HA 0.231 4.871 4.640 0.000 0.000 0.255 152 D C 0.803 177.050 176.300 -0.089 0.000 1.237 152 D CA 0.018 53.936 54.000 -0.137 0.000 0.883 152 D CB 0.446 41.177 40.800 -0.114 0.000 1.087 152 D HN 0.525 nan 8.370 nan 0.000 0.485 153 I N 0.659 121.168 120.570 -0.100 0.000 3.941 153 I HA 0.116 4.286 4.170 0.000 0.000 0.335 153 I C 1.291 177.387 176.117 -0.036 0.000 1.402 153 I CA -0.566 60.707 61.300 -0.044 0.000 1.112 153 I CB 0.295 38.285 38.000 -0.016 0.000 1.043 153 I HN 0.006 nan 8.210 nan 0.000 0.395 154 S N 3.248 118.907 115.700 -0.068 0.000 2.368 154 S HA -0.255 4.215 4.470 0.000 0.000 0.226 154 S C 1.976 176.570 174.600 -0.010 0.000 1.044 154 S CA 2.401 60.569 58.200 -0.053 0.000 1.062 154 S CB -0.724 62.431 63.200 -0.074 0.000 0.931 154 S HN 0.814 nan 8.310 nan 0.000 0.440 155 N N 2.216 120.912 118.700 -0.006 0.000 2.149 155 N HA -0.143 4.597 4.740 0.000 0.000 0.188 155 N C 1.610 177.134 175.510 0.024 0.000 1.019 155 N CA 1.301 54.358 53.050 0.011 0.000 0.857 155 N CB -0.774 37.720 38.487 0.012 0.000 0.997 155 N HN 0.429 nan 8.380 nan 0.000 0.426 156 L N 0.847 122.087 121.223 0.028 0.000 2.240 156 L HA -0.001 4.339 4.340 0.000 0.000 0.211 156 L C 2.514 179.414 176.870 0.051 0.000 1.106 156 L CA 0.690 55.556 54.840 0.044 0.000 0.793 156 L CB -0.217 41.874 42.059 0.053 0.000 0.927 156 L HN 0.156 nan 8.230 nan 0.000 0.446 157 V N -3.303 116.641 119.914 0.049 0.000 3.174 157 V HA -0.017 4.103 4.120 0.000 0.000 0.254 157 V C 1.127 177.259 176.094 0.063 0.000 1.120 157 V CA 0.348 62.688 62.300 0.067 0.000 1.114 157 V CB -0.237 31.642 31.823 0.094 0.000 0.756 157 V HN 0.384 nan 8.190 nan 0.000 0.467 158 Q N 0.354 120.182 119.800 0.048 0.000 3.091 158 Q HA 0.355 4.695 4.340 0.000 0.000 0.301 158 Q C 0.902 176.925 176.000 0.037 0.000 1.337 158 Q CA 0.115 55.944 55.803 0.044 0.000 1.083 158 Q CB 1.407 30.165 28.738 0.033 0.000 1.477 158 Q HN 0.489 nan 8.270 nan 0.000 0.537 159 V N -0.341 119.597 119.914 0.039 0.000 2.685 159 V HA 0.339 4.459 4.120 0.000 0.000 0.244 159 V C 0.685 176.797 176.094 0.030 0.000 1.054 159 V CA 1.716 64.036 62.300 0.034 0.000 1.076 159 V CB 0.407 32.252 31.823 0.037 0.000 0.725 159 V HN 0.767 nan 8.190 nan 0.000 0.467 165 R N 2.075 122.581 120.500 0.009 0.000 2.442 165 R HA 0.415 4.755 4.340 0.000 0.000 0.291 165 R C -0.216 176.097 176.300 0.021 0.000 1.069 165 R CA -0.718 55.385 56.100 0.005 0.000 1.022 165 R CB -0.082 30.215 30.300 -0.005 0.000 0.976 165 R HN 0.689 nan 8.270 nan 0.000 0.443 166 L N 2.768 124.006 121.223 0.025 0.000 2.477 166 L HA 0.093 4.433 4.340 0.000 0.000 0.272 166 L C 0.294 177.187 176.870 0.039 0.000 1.157 166 L CA 0.572 55.439 54.840 0.045 0.000 0.889 166 L CB 0.180 42.274 42.059 0.058 0.000 1.158 166 L HN 0.613 nan 8.230 nan 0.000 0.473 167 R N 5.791 126.330 120.500 0.065 0.000 2.265 167 R HA 0.541 4.881 4.340 0.000 0.000 0.328 167 R C -1.193 175.185 176.300 0.130 0.000 0.969 167 R CA -0.497 55.649 56.100 0.076 0.000 0.832 167 R CB 0.526 30.877 30.300 0.086 0.000 1.139 167 R HN 0.744 nan 8.270 nan 0.000 0.457 168 I N 3.848 124.493 120.570 0.124 0.000 2.339 168 I HA 0.249 4.419 4.170 0.000 0.000 0.290 168 I C -0.396 175.933 176.117 0.354 0.000 0.994 168 I CA -0.376 61.060 61.300 0.227 0.000 1.191 168 I CB 2.220 40.343 38.000 0.205 0.000 1.343 168 I HN 0.563 nan 8.210 nan 0.000 0.458 169 T N 7.301 122.129 114.554 0.456 0.000 2.807 169 T HA 0.662 5.012 4.350 0.000 0.000 0.279 169 T C -0.270 174.824 174.700 0.657 0.000 0.993 169 T CA -0.376 62.072 62.100 0.580 0.000 0.970 169 T CB 1.229 70.441 68.868 0.575 0.000 0.950 169 T HN 0.261 nan 8.240 nan 0.000 0.441 170 I N 2.281 123.211 120.570 0.601 0.000 2.478 170 I HA 0.615 4.785 4.170 0.000 0.000 0.287 170 I C -0.178 176.143 176.117 0.339 0.000 1.042 170 I CA -1.156 60.400 61.300 0.426 0.000 1.067 170 I CB 1.770 39.956 38.000 0.310 0.000 1.233 170 I HN 0.657 nan 8.210 nan 0.000 0.431 171 A N 7.847 130.764 122.820 0.162 0.000 2.288 171 A HA 0.868 5.188 4.320 0.000 0.000 0.320 171 A C -0.654 177.134 177.584 0.341 0.000 1.217 171 A CA -0.387 51.572 52.037 -0.131 0.000 0.840 171 A CB 0.615 19.110 19.000 -0.840 0.000 1.179 171 A HN 0.696 nan 8.150 nan 0.000 0.504 172 I N 2.919 123.732 120.570 0.406 0.000 2.418 172 I HA 0.268 4.438 4.170 0.000 0.000 0.287 172 I C -0.377 175.858 176.117 0.197 0.000 1.008 172 I CA -0.626 60.883 61.300 0.348 0.000 1.104 172 I CB 1.875 40.077 38.000 0.335 0.000 1.264 172 I HN 0.644 nan 8.210 nan 0.000 0.438 173 N N 5.371 123.960 118.700 -0.185 0.000 2.421 173 N HA 0.198 4.938 4.740 0.000 0.000 0.285 173 N C -0.174 175.150 175.510 -0.312 0.000 1.027 173 N CA -0.265 52.422 53.050 -0.606 0.000 0.918 173 N CB 1.309 38.952 38.487 -1.407 0.000 1.152 173 N HN 0.652 nan 8.380 nan 0.000 0.485 174 N N 1.270 119.763 118.700 -0.346 0.000 2.204 174 N HA 0.022 4.762 4.740 0.000 0.000 0.219 174 N C -0.711 174.627 175.510 -0.286 0.000 1.151 174 N CA -0.274 52.437 53.050 -0.564 0.000 0.867 174 N CB -0.066 38.043 38.487 -0.631 0.000 1.043 174 N HN 0.193 nan 8.380 nan 0.000 0.516 175 T N 1.986 116.402 114.554 -0.230 0.000 2.814 175 T HA 0.271 4.621 4.350 0.000 0.000 0.297 175 T C 0.330 174.990 174.700 -0.066 0.000 0.956 175 T CA -0.230 61.779 62.100 -0.152 0.000 1.123 175 T CB 0.782 69.534 68.868 -0.193 0.000 0.902 175 T HN 0.128 nan 8.240 nan 0.000 0.528 176 L N 3.954 125.166 121.223 -0.019 0.000 2.325 176 L HA 0.628 4.968 4.340 0.000 0.000 0.279 176 L C 1.000 177.852 176.870 -0.031 0.000 1.054 176 L CA -0.716 54.125 54.840 0.002 0.000 0.804 176 L CB 1.251 43.353 42.059 0.073 0.000 1.200 176 L HN 0.748 nan 8.230 nan 0.000 0.436 177 T N -1.355 113.159 114.554 -0.067 0.000 2.865 177 T HA 0.438 4.788 4.350 0.000 0.000 0.294 177 T C -2.424 172.210 174.700 -0.109 0.000 1.119 177 T CA -1.916 60.149 62.100 -0.058 0.000 1.007 177 T CB 2.063 70.892 68.868 -0.066 0.000 1.225 177 T HN 0.195 nan 8.240 nan 0.000 0.515 178 P HA 0.004 nan 4.420 nan 0.000 0.223 178 P C 1.139 178.403 177.300 -0.060 0.000 1.144 178 P CA 1.195 64.325 63.100 0.050 0.000 0.783 178 P CB -0.121 31.719 31.700 0.233 0.000 0.771 179 T N -6.588 107.913 114.554 -0.088 0.000 3.085 179 T HA 0.132 4.482 4.350 0.000 0.000 0.264 179 T C 0.624 175.204 174.700 -0.200 0.000 1.019 179 T CA -0.245 61.798 62.100 -0.095 0.000 0.910 179 T CB -0.875 67.948 68.868 -0.075 0.000 1.059 179 T HN 0.061 nan 8.240 nan 0.000 0.542 180 T N 0.930 115.362 114.554 -0.203 0.000 2.874 180 T HA 0.685 5.035 4.350 0.000 0.000 0.281 180 T C -0.278 174.359 174.700 -0.104 0.000 0.994 180 T CA -0.926 61.058 62.100 -0.193 0.000 1.015 180 T CB 1.121 69.914 68.868 -0.126 0.000 1.028 180 T HN 0.245 nan 8.240 nan 0.000 0.523 181 L N 2.762 123.997 121.223 0.019 0.000 2.342 181 L HA 0.419 4.759 4.340 0.000 0.000 0.276 181 L C -2.228 174.644 176.870 0.004 0.000 0.997 181 L CA -2.336 52.498 54.840 -0.010 0.000 0.838 181 L CB 2.178 44.221 42.059 -0.027 0.000 1.224 181 L HN 0.562 nan 8.230 nan 0.000 0.416 182 P HA 0.243 nan 4.420 nan 0.000 0.274 182 P C -2.700 174.534 177.300 -0.109 0.000 1.231 182 P CA -1.433 61.580 63.100 -0.146 0.000 0.790 182 P CB 0.339 31.743 31.700 -0.493 0.000 0.951 183 P HA 0.355 nan 4.420 nan 0.000 0.276 183 P C -0.035 177.118 177.300 -0.246 0.000 1.261 183 P CA 0.190 63.000 63.100 -0.483 0.000 0.800 183 P CB 0.843 31.761 31.700 -1.304 0.000 1.066 184 G N -0.938 107.725 108.800 -0.230 0.000 2.550 184 G HA2 0.624 4.584 3.960 0.000 0.000 0.293 184 G HA3 0.624 4.584 3.960 0.000 0.000 0.293 184 G C -1.449 173.541 174.900 0.150 0.000 1.402 184 G CA -0.486 44.651 45.100 0.062 0.000 0.784 184 G HN 0.727 nan 8.290 nan 0.000 0.482 185 T N -2.026 112.644 114.554 0.192 0.000 2.896 185 T HA 0.725 5.075 4.350 0.000 0.000 0.297 185 T C -0.924 173.818 174.700 0.070 0.000 1.108 185 T CA -0.783 61.413 62.100 0.159 0.000 1.004 185 T CB 1.959 70.963 68.868 0.227 0.000 1.159 185 T HN 0.494 nan 8.240 nan 0.000 0.499 186 I N 2.337 122.935 120.570 0.047 0.000 2.377 186 I HA 0.400 4.570 4.170 0.000 0.000 0.293 186 I C -0.461 175.660 176.117 0.006 0.000 0.987 186 I CA -0.656 60.647 61.300 0.004 0.000 1.185 186 I CB 1.819 39.796 38.000 -0.039 0.000 1.341 186 I HN 0.694 nan 8.210 nan 0.000 0.455 187 Q N 6.307 126.086 119.800 -0.035 0.000 2.327 187 Q HA 0.385 4.725 4.340 0.000 0.000 0.270 187 Q C -1.324 174.639 176.000 -0.062 0.000 1.022 187 Q CA -0.639 55.163 55.803 -0.001 0.000 0.773 187 Q CB 2.187 30.927 28.738 0.004 0.000 1.251 187 Q HN 0.375 nan 8.270 nan 0.000 0.457 188 Y N 1.946 122.285 120.300 0.066 0.000 2.327 188 Y HA 0.326 4.876 4.550 0.000 0.000 0.336 188 Y C 0.265 176.194 175.900 0.048 0.000 1.035 188 Y CA -0.308 57.845 58.100 0.088 0.000 1.165 188 Y CB 1.010 39.499 38.460 0.049 0.000 1.181 188 Y HN 0.387 nan 8.280 nan 0.000 0.494 189 L N 4.147 125.466 121.223 0.160 0.000 2.294 189 L HA 0.292 4.632 4.340 0.000 0.000 0.283 189 L C 0.708 177.638 176.870 0.099 0.000 1.015 189 L CA -0.343 54.486 54.840 -0.019 0.000 0.831 189 L CB 1.378 43.122 42.059 -0.525 0.000 1.217 189 L HN 0.750 nan 8.230 nan 0.000 0.420 190 T N -3.318 111.310 114.554 0.123 0.000 3.086 190 T HA -0.001 4.349 4.350 0.000 0.000 0.250 190 T C 0.577 175.360 174.700 0.140 0.000 1.074 190 T CA -0.326 61.858 62.100 0.140 0.000 0.988 190 T CB -0.033 68.897 68.868 0.103 0.000 0.988 190 T HN 0.347 nan 8.240 nan 0.000 0.530 191 D N 3.705 124.207 120.400 0.169 0.000 2.385 191 D HA 0.050 4.690 4.640 0.000 0.000 0.260 191 D C 1.491 177.891 176.300 0.167 0.000 1.326 191 D CA 0.190 54.289 54.000 0.165 0.000 1.023 191 D CB 0.758 41.671 40.800 0.187 0.000 1.083 191 D HN 0.421 nan 8.370 nan 0.000 0.517 192 T N -0.619 114.000 114.554 0.109 0.000 3.163 192 T HA -0.134 4.216 4.350 0.000 0.000 0.260 192 T C 1.712 176.429 174.700 0.028 0.000 1.156 192 T CA 0.776 62.926 62.100 0.083 0.000 1.072 192 T CB -0.177 68.734 68.868 0.072 0.000 0.937 192 T HN 0.240 nan 8.240 nan 0.000 0.528 193 S N 0.805 116.511 115.700 0.011 0.000 2.527 193 S HA 0.151 4.621 4.470 0.000 0.000 0.222 193 S C 1.687 176.227 174.600 -0.100 0.000 0.985 193 S CA -0.040 58.142 58.200 -0.030 0.000 0.921 193 S CB -0.158 63.032 63.200 -0.018 0.000 0.772 193 S HN 0.622 nan 8.310 nan 0.000 0.529 194 K N -0.986 119.320 120.400 -0.156 0.000 2.474 194 K HA 0.305 4.625 4.320 0.000 0.000 0.204 194 K C -0.957 175.173 176.600 -0.784 0.000 1.220 194 K CA 0.131 56.142 56.287 -0.460 0.000 0.966 194 K CB 0.753 32.916 32.500 -0.562 0.000 1.049 194 K HN 0.369 nan 8.250 nan 0.000 0.554 195 Y N 1.227 121.439 120.300 -0.147 0.000 2.504 195 Y HA 0.293 4.843 4.550 0.000 0.000 0.344 195 Y C -2.506 173.359 175.900 -0.059 0.000 1.023 195 Y CA -2.777 55.176 58.100 -0.244 0.000 1.020 195 Y CB 1.454 39.688 38.460 -0.376 0.000 1.282 195 Y HN -0.110 nan 8.280 nan 0.000 0.454 196 P HA 0.035 nan 4.420 nan 0.000 0.272 196 P C -0.800 176.640 177.300 0.233 0.000 1.230 196 P CA -0.529 62.673 63.100 0.169 0.000 0.788 196 P CB 1.130 32.936 31.700 0.177 0.000 0.949 197 K N 0.725 121.233 120.400 0.181 0.000 2.484 197 K HA 0.209 4.529 4.320 0.000 0.000 0.280 197 K C 1.117 177.860 176.600 0.238 0.000 1.013 197 K CA 1.010 57.409 56.287 0.186 0.000 1.029 197 K CB -0.733 31.846 32.500 0.131 0.000 0.902 197 K HN 0.804 nan 8.250 nan 0.000 0.481 198 G N 3.109 112.079 108.800 0.284 0.000 2.194 198 G HA2 -0.313 3.647 3.960 0.000 0.000 0.236 198 G HA3 -0.313 3.647 3.960 0.000 0.000 0.236 198 G C -0.265 174.924 174.900 0.483 0.000 0.987 198 G CA 0.157 45.475 45.100 0.362 0.000 0.635 198 G HN 0.727 nan 8.290 nan 0.000 0.520 199 Y N 1.571 122.036 120.300 0.275 0.000 2.721 199 Y HA 0.419 4.969 4.550 0.000 0.000 0.329 199 Y C 0.495 176.488 175.900 0.156 0.000 1.211 199 Y CA 0.551 58.755 58.100 0.174 0.000 1.512 199 Y CB -0.110 38.430 38.460 0.133 0.000 1.249 199 Y HN 0.584 nan 8.280 nan 0.000 0.549 200 F N 5.003 124.619 119.950 -0.557 0.000 2.626 200 F HA 0.739 5.266 4.527 0.000 0.000 0.311 200 F C -1.775 173.602 175.800 -0.704 0.000 1.088 200 F CA -1.475 56.118 58.000 -0.679 0.000 0.949 200 F CB 0.602 38.940 39.000 -1.104 0.000 1.322 200 F HN 0.324 nan 8.300 nan 0.000 0.461 201 V N -0.138 119.519 119.914 -0.430 0.000 2.962 201 V HA 0.677 4.797 4.120 0.000 0.000 0.313 201 V C -1.091 174.905 176.094 -0.164 0.000 1.099 201 V CA -0.909 61.163 62.300 -0.380 0.000 0.971 201 V CB 1.540 33.215 31.823 -0.246 0.000 1.028 201 V HN 1.104 nan 8.190 nan 0.000 0.430 202 Q N 2.867 122.570 119.800 -0.163 0.000 2.322 202 Q HA 0.436 4.776 4.340 0.000 0.000 0.256 202 Q C -0.661 175.259 176.000 -0.134 0.000 0.960 202 Q CA 0.174 55.917 55.803 -0.100 0.000 0.934 202 Q CB 0.878 29.553 28.738 -0.104 0.000 1.200 202 Q HN 0.851 nan 8.270 nan 0.000 0.435 203 N N 2.428 121.066 118.700 -0.103 0.000 2.455 203 N HA 0.412 5.152 4.740 0.000 0.000 0.280 203 N C -0.998 174.373 175.510 -0.233 0.000 1.055 203 N CA -0.084 52.856 53.050 -0.183 0.000 0.961 203 N CB 1.587 40.016 38.487 -0.097 0.000 1.121 203 N HN 0.767 nan 8.380 nan 0.000 0.476 204 T N -1.617 112.645 114.554 -0.487 0.000 2.901 204 T HA 0.510 4.860 4.350 0.000 0.000 0.293 204 T C -0.548 173.670 174.700 -0.802 0.000 1.084 204 T CA -0.558 61.209 62.100 -0.554 0.000 1.008 204 T CB 0.939 69.244 68.868 -0.939 0.000 1.170 204 T HN 0.393 nan 8.240 nan 0.000 0.509 205 Y N 0.646 120.815 120.300 -0.217 0.000 2.715 205 Y HA 0.449 4.999 4.550 0.000 0.000 0.255 205 Y C -0.346 175.564 175.900 0.017 0.000 1.139 205 Y CA -1.319 56.755 58.100 -0.044 0.000 1.151 205 Y CB 0.217 38.759 38.460 0.137 0.000 1.201 205 Y HN 0.703 nan 8.280 nan 0.000 0.556 206 F N -2.492 117.461 119.950 0.005 0.000 2.561 206 F HA 0.621 5.148 4.527 0.000 0.000 0.321 206 F C -0.206 175.558 175.800 -0.061 0.000 1.065 206 F CA -1.779 56.195 58.000 -0.044 0.000 0.934 206 F CB 1.182 40.075 39.000 -0.178 0.000 1.215 206 F HN -0.234 nan 8.300 nan 0.000 0.471 207 D N 2.420 123.035 120.400 0.358 0.000 3.139 207 D HA 0.275 4.915 4.640 0.000 0.000 0.268 207 D C -1.316 175.452 176.300 0.781 0.000 1.322 207 D CA -0.060 54.188 54.000 0.414 0.000 0.940 207 D CB -0.466 40.575 40.800 0.402 0.000 1.050 207 D HN 0.473 nan 8.370 nan 0.000 0.503 208 F N -1.556 118.767 119.950 0.622 0.000 2.678 208 F HA 0.441 4.968 4.527 -0.000 0.000 0.308 208 F C -1.297 174.802 175.800 0.499 0.000 1.118 208 F CA -1.833 56.515 58.000 0.580 0.000 0.959 208 F CB 0.462 39.679 39.000 0.361 0.000 1.305 208 F HN -0.211 nan 8.300 nan 0.000 0.443 209 F N 2.936 123.126 119.950 0.400 0.000 2.538 209 F HA 0.256 4.783 4.527 0.000 0.000 0.371 209 F C 0.970 176.903 175.800 0.222 0.000 1.087 209 F CA -0.196 57.864 58.000 0.101 0.000 1.250 209 F CB 0.574 39.417 39.000 -0.262 0.000 1.110 209 F HN 0.706 nan 8.300 nan 0.000 0.570 210 N N 5.419 123.814 118.700 -0.509 0.000 3.210 210 N HA -0.027 4.713 4.740 0.000 0.000 0.314 210 N C -0.968 174.330 175.510 -0.353 0.000 1.291 210 N CA 0.025 52.953 53.050 -0.203 0.000 1.202 210 N CB -0.890 37.522 38.487 -0.126 0.000 1.475 210 N HN 0.401 nan 8.380 nan 0.000 0.554 211 Y N 0.457 120.706 120.300 -0.085 0.000 2.757 211 Y HA 0.170 4.720 4.550 -0.000 0.000 0.344 211 Y C 1.091 176.976 175.900 -0.024 0.000 1.263 211 Y CA 0.516 58.610 58.100 -0.010 0.000 1.493 211 Y CB 0.396 38.933 38.460 0.129 0.000 1.342 211 Y HN 0.342 nan 8.280 nan 0.000 0.627 212 A N 0.604 123.388 122.820 -0.060 0.000 2.564 212 A HA 0.925 5.245 4.320 0.000 0.000 0.288 212 A C -0.052 177.538 177.584 0.010 0.000 1.164 212 A CA -0.089 51.967 52.037 0.031 0.000 0.712 212 A CB 1.570 20.547 19.000 -0.039 0.000 1.303 212 A HN 1.437 nan 8.150 nan 0.000 0.418 213 G N -1.518 107.482 108.800 0.332 0.000 2.334 213 G HA2 0.350 4.310 3.960 0.000 0.000 0.315 213 G HA3 0.350 4.310 3.960 0.000 0.000 0.315 213 G C -1.265 173.686 174.900 0.084 0.000 1.284 213 G CA -0.577 44.798 45.100 0.460 0.000 0.985 213 G HN 1.157 nan 8.290 nan 0.000 0.504 214 L N 1.414 122.510 121.223 -0.212 0.000 2.387 214 L HA 0.283 4.623 4.340 0.000 0.000 0.267 214 L C 1.600 178.350 176.870 -0.201 0.000 1.197 214 L CA -0.095 54.519 54.840 -0.377 0.000 1.070 214 L CB 0.605 42.175 42.059 -0.814 0.000 1.349 214 L HN 0.658 nan 8.230 nan 0.000 0.422 215 Q N 1.184 120.917 119.800 -0.112 0.000 2.424 215 Q HA 0.135 4.475 4.340 0.000 0.000 0.204 215 Q C 0.259 176.231 176.000 -0.046 0.000 0.933 215 Q CA 0.566 56.330 55.803 -0.066 0.000 0.929 215 Q CB 0.498 29.206 28.738 -0.051 0.000 1.037 215 Q HN 0.538 nan 8.270 nan 0.000 0.511 216 R N -0.506 119.943 120.500 -0.085 0.000 2.888 216 R HA 0.440 4.780 4.340 0.000 0.000 0.266 216 R C -0.653 175.578 176.300 -0.115 0.000 1.020 216 R CA -0.642 55.406 56.100 -0.087 0.000 0.963 216 R CB 1.800 32.040 30.300 -0.099 0.000 1.197 216 R HN -0.105 nan 8.270 nan 0.000 0.481 217 S N 0.589 116.221 115.700 -0.114 0.000 2.562 217 S HA 0.148 4.618 4.470 0.000 0.000 0.281 217 S C -0.320 174.241 174.600 -0.065 0.000 1.333 217 S CA -0.335 57.830 58.200 -0.057 0.000 1.052 217 S CB 0.642 63.823 63.200 -0.031 0.000 0.884 217 S HN 0.212 nan 8.310 nan 0.000 0.506 218 V N 5.891 125.802 119.914 -0.004 0.000 2.417 218 V HA 0.628 4.748 4.120 0.000 0.000 0.291 218 V C -0.048 176.117 176.094 0.118 0.000 1.024 218 V CA -0.593 61.725 62.300 0.030 0.000 0.861 218 V CB 0.761 32.642 31.823 0.097 0.000 0.985 218 V HN 0.766 nan 8.190 nan 0.000 0.436 219 L N 3.212 124.491 121.223 0.093 0.000 2.409 219 L HA 0.824 5.164 4.340 0.000 0.000 0.255 219 L C -1.476 175.485 176.870 0.152 0.000 1.027 219 L CA -0.990 53.930 54.840 0.133 0.000 0.834 219 L CB 2.305 44.424 42.059 0.101 0.000 1.426 219 L HN 0.367 nan 8.230 nan 0.000 0.411 220 L N 1.821 123.159 121.223 0.191 0.000 2.325 220 L HA 0.662 5.002 4.340 0.000 0.000 0.278 220 L C -0.956 176.042 176.870 0.212 0.000 1.023 220 L CA -0.644 54.300 54.840 0.173 0.000 0.811 220 L CB 1.717 43.956 42.059 0.301 0.000 1.249 220 L HN 0.751 nan 8.230 nan 0.000 0.431 221 Y N 0.115 120.351 120.300 -0.105 0.000 2.615 221 Y HA 0.819 5.369 4.550 -0.000 0.000 0.341 221 Y C -0.558 175.103 175.900 -0.398 0.000 1.089 221 Y CA -1.070 56.920 58.100 -0.183 0.000 1.049 221 Y CB 1.645 40.028 38.460 -0.129 0.000 1.296 221 Y HN 0.546 nan 8.280 nan 0.000 0.470 222 T N -0.575 113.802 114.554 -0.293 0.000 2.924 222 T HA 0.847 5.197 4.350 0.000 0.000 0.291 222 T C -0.451 174.141 174.700 -0.180 0.000 1.045 222 T CA -0.066 61.749 62.100 -0.475 0.000 1.015 222 T CB 1.686 70.132 68.868 -0.703 0.000 1.103 222 T HN 1.371 nan 8.240 nan 0.000 0.496 223 T N -1.343 113.066 114.554 -0.242 0.000 2.787 223 T HA 0.762 5.112 4.350 0.000 0.000 0.297 223 T C -3.195 171.437 174.700 -0.114 0.000 1.221 223 T CA -1.808 60.221 62.100 -0.118 0.000 1.006 223 T CB 1.119 69.895 68.868 -0.152 0.000 1.328 223 T HN 0.489 nan 8.240 nan 0.000 0.509 224 P HA 0.206 nan 4.420 nan 0.000 0.275 224 P C 1.293 178.624 177.300 0.052 0.000 1.266 224 P CA -0.156 62.952 63.100 0.013 0.000 0.793 224 P CB 0.218 31.948 31.700 0.050 0.000 1.074 225 T N -4.116 110.473 114.554 0.058 0.000 2.951 225 T HA -0.004 4.346 4.350 0.000 0.000 0.268 225 T C 0.597 175.417 174.700 0.201 0.000 1.073 225 T CA 1.060 63.221 62.100 0.102 0.000 1.134 225 T CB -0.869 68.026 68.868 0.046 0.000 0.884 225 T HN 0.278 nan 8.240 nan 0.000 0.479 226 T N 2.745 117.373 114.554 0.124 0.000 2.758 226 T HA 0.598 4.948 4.350 0.000 0.000 0.285 226 T C -1.240 173.481 174.700 0.034 0.000 0.981 226 T CA -0.706 61.399 62.100 0.008 0.000 0.965 226 T CB 0.570 69.409 68.868 -0.049 0.000 0.927 226 T HN 0.562 nan 8.240 nan 0.000 0.448 227 Y N 0.441 120.656 120.300 -0.140 0.000 2.609 227 Y HA 0.688 5.239 4.550 0.000 0.000 0.336 227 Y C -1.032 174.763 175.900 -0.175 0.000 1.129 227 Y CA -1.898 56.124 58.100 -0.130 0.000 1.040 227 Y CB 0.528 38.941 38.460 -0.078 0.000 1.310 227 Y HN 0.436 nan 8.280 nan 0.000 0.460 228 I N 2.495 123.051 120.570 -0.023 0.000 2.494 228 I HA 0.048 4.218 4.170 0.000 0.000 0.289 228 I C 0.183 176.295 176.117 -0.009 0.000 1.106 228 I CA 0.729 61.965 61.300 -0.107 0.000 1.369 228 I CB 0.553 38.509 38.000 -0.073 0.000 1.410 228 I HN 0.846 nan 8.210 nan 0.000 0.523 229 D N 3.679 124.011 120.400 -0.114 0.000 2.323 229 D HA -0.001 4.639 4.640 0.000 0.000 0.218 229 D C 0.130 176.395 176.300 -0.058 0.000 0.973 229 D CA 0.779 54.781 54.000 0.003 0.000 0.890 229 D CB 0.557 41.307 40.800 -0.083 0.000 1.011 229 D HN 0.478 nan 8.370 nan 0.000 0.499 230 D N -0.810 119.528 120.400 -0.103 0.000 2.661 230 D HA 0.429 5.069 4.640 0.000 0.000 0.228 230 D C -1.248 174.994 176.300 -0.096 0.000 1.183 230 D CA -0.547 53.395 54.000 -0.097 0.000 0.844 230 D CB 1.852 42.615 40.800 -0.062 0.000 1.555 230 D HN 0.018 nan 8.370 nan 0.000 0.453 231 I N 0.911 121.429 120.570 -0.086 0.000 2.656 231 I HA 0.324 4.494 4.170 0.000 0.000 0.292 231 I C -0.641 175.463 176.117 -0.021 0.000 1.144 231 I CA -0.546 60.730 61.300 -0.039 0.000 1.038 231 I CB 2.602 40.579 38.000 -0.037 0.000 1.244 231 I HN 0.097 nan 8.210 nan 0.000 0.420 232 T N 4.805 119.363 114.554 0.006 0.000 2.841 232 T HA 0.557 4.907 4.350 0.000 0.000 0.285 232 T C -0.618 174.097 174.700 0.025 0.000 0.991 232 T CA -0.498 61.604 62.100 0.003 0.000 0.966 232 T CB 2.078 70.941 68.868 -0.008 0.000 0.962 232 T HN 0.175 nan 8.240 nan 0.000 0.438 233 V N 3.875 123.796 119.914 0.013 0.000 2.540 233 V HA 0.782 4.902 4.120 0.000 0.000 0.302 233 V C 0.244 176.331 176.094 -0.012 0.000 1.035 233 V CA -0.698 61.614 62.300 0.020 0.000 0.873 233 V CB 2.077 33.912 31.823 0.020 0.000 0.992 233 V HN 1.108 nan 8.190 nan 0.000 0.428 234 T N 0.323 114.867 114.554 -0.018 0.000 2.907 234 T HA 0.838 5.188 4.350 0.000 0.000 0.292 234 T C -0.432 174.239 174.700 -0.048 0.000 1.043 234 T CA -0.610 61.466 62.100 -0.040 0.000 1.003 234 T CB 2.048 70.892 68.868 -0.039 0.000 1.084 234 T HN 0.817 nan 8.240 nan 0.000 0.483 235 T N -1.118 113.395 114.554 -0.068 0.000 2.893 235 T HA 0.821 5.171 4.350 0.000 0.000 0.293 235 T C -0.377 174.274 174.700 -0.081 0.000 1.027 235 T CA -0.553 61.502 62.100 -0.075 0.000 0.988 235 T CB 1.559 70.374 68.868 -0.088 0.000 1.043 235 T HN 1.356 nan 8.240 nan 0.000 0.461 236 S N 0.678 116.333 115.700 -0.075 0.000 2.671 236 S HA 0.842 5.312 4.470 0.000 0.000 0.277 236 S C -1.340 173.218 174.600 -0.069 0.000 1.165 236 S CA -0.850 57.307 58.200 -0.072 0.000 0.822 236 S CB 1.388 64.552 63.200 -0.060 0.000 1.150 236 S HN 0.901 nan 8.310 nan 0.000 0.479 237 V N 0.794 120.672 119.914 -0.060 0.000 2.656 237 V HA 0.622 4.742 4.120 0.000 0.000 0.307 237 V C -0.788 175.286 176.094 -0.033 0.000 1.051 237 V CA -0.484 61.786 62.300 -0.050 0.000 0.893 237 V CB 1.690 33.483 31.823 -0.049 0.000 0.999 237 V HN 0.948 nan 8.190 nan 0.000 0.426 238 E N 3.014 123.198 120.200 -0.027 0.000 2.255 238 E HA 0.463 4.813 4.350 0.000 0.000 0.256 238 E C -0.392 176.204 176.600 -0.008 0.000 0.887 238 E CA -0.349 56.041 56.400 -0.017 0.000 0.782 238 E CB 2.059 31.748 29.700 -0.019 0.000 1.214 238 E HN 0.772 nan 8.360 nan 0.000 0.417 239 Q N 0.953 120.753 119.800 0.000 0.000 2.365 239 Q HA -0.312 4.028 4.340 0.000 0.000 0.418 239 Q C 0.459 176.467 176.000 0.014 0.000 0.738 239 Q CA 2.464 58.273 55.803 0.009 0.000 0.990 239 Q CB -0.850 27.893 28.738 0.007 0.000 1.967 239 Q HN 0.543 nan 8.270 nan 0.000 0.954 240 D N -0.837 119.569 120.400 0.011 0.000 2.433 240 D HA 0.326 4.966 4.640 0.000 0.000 0.211 240 D C -0.836 175.466 176.300 0.003 0.000 1.114 240 D CA 0.241 54.251 54.000 0.015 0.000 0.837 240 D CB 0.598 41.409 40.800 0.018 0.000 0.984 240 D HN 0.149 nan 8.370 nan 0.000 0.505 241 S N -0.700 114.995 115.700 -0.009 0.000 2.537 241 S HA 0.715 5.185 4.470 0.000 0.000 0.301 241 S C 0.181 174.756 174.600 -0.042 0.000 1.092 241 S CA -0.758 57.428 58.200 -0.023 0.000 1.048 241 S CB 1.864 65.052 63.200 -0.021 0.000 1.053 241 S HN 0.171 nan 8.310 nan 0.000 0.501 242 G N 1.550 110.310 108.800 -0.067 0.000 2.377 242 G HA2 0.618 4.578 3.960 0.000 0.000 0.299 242 G HA3 0.618 4.578 3.960 0.000 0.000 0.299 242 G C -1.105 173.742 174.900 -0.089 0.000 1.150 242 G CA -0.529 44.514 45.100 -0.095 0.000 0.847 242 G HN 0.594 nan 8.290 nan 0.000 0.501 243 L N 1.664 122.840 121.223 -0.078 0.000 2.333 243 L HA 0.476 4.816 4.340 0.000 0.000 0.280 243 L C -0.585 176.249 176.870 -0.060 0.000 1.004 243 L CA -1.021 53.783 54.840 -0.061 0.000 0.820 243 L CB 2.356 44.385 42.059 -0.050 0.000 1.247 243 L HN 0.169 nan 8.230 nan 0.000 0.416 244 V N 2.729 122.621 119.914 -0.035 0.000 2.349 244 V HA 0.307 4.427 4.120 0.000 0.000 0.284 244 V C -0.262 175.865 176.094 0.054 0.000 1.014 244 V CA -0.699 61.600 62.300 -0.002 0.000 0.826 244 V CB 1.330 33.151 31.823 -0.003 0.000 1.009 244 V HN 0.695 nan 8.190 nan 0.000 0.431 245 N N 4.966 123.672 118.700 0.010 0.000 2.439 245 N HA 0.400 5.140 4.740 0.000 0.000 0.249 245 N C -1.054 174.458 175.510 0.003 0.000 1.003 245 N CA -0.228 52.794 53.050 -0.047 0.000 0.942 245 N CB 1.771 40.212 38.487 -0.076 0.000 1.115 245 N HN 0.766 nan 8.380 nan 0.000 0.505 246 Y N -0.039 120.245 120.300 -0.027 0.000 2.487 246 Y HA 0.551 5.101 4.550 0.000 0.000 0.337 246 Y C -0.542 175.346 175.900 -0.019 0.000 1.076 246 Y CA -1.048 57.039 58.100 -0.021 0.000 1.115 246 Y CB 1.187 39.639 38.460 -0.013 0.000 1.235 246 Y HN 0.253 nan 8.280 nan 0.000 0.468 247 Q N 3.545 123.423 119.800 0.130 0.000 2.271 247 Q HA 0.619 4.959 4.340 0.000 0.000 0.268 247 Q C -1.626 174.432 176.000 0.096 0.000 1.021 247 Q CA -0.605 55.236 55.803 0.063 0.000 0.802 247 Q CB 3.036 31.772 28.738 -0.003 0.000 1.282 247 Q HN 0.785 nan 8.270 nan 0.000 0.431 248 I N 1.480 122.111 120.570 0.102 0.000 2.509 248 I HA 0.425 4.595 4.170 0.000 0.000 0.293 248 I C -0.320 175.800 176.117 0.006 0.000 1.020 248 I CA -0.722 60.608 61.300 0.049 0.000 1.088 248 I CB 2.198 40.237 38.000 0.066 0.000 1.267 248 I HN 0.545 nan 8.210 nan 0.000 0.430 249 S N 5.456 121.124 115.700 -0.054 0.000 2.473 249 S HA 0.786 5.256 4.470 0.000 0.000 0.307 249 S C -0.819 173.660 174.600 -0.201 0.000 1.094 249 S CA -0.612 57.535 58.200 -0.089 0.000 1.070 249 S CB 1.651 64.805 63.200 -0.077 0.000 1.019 249 S HN 0.304 nan 8.310 nan 0.000 0.480 250 V N 3.776 123.514 119.914 -0.293 0.000 2.513 250 V HA 0.559 4.679 4.120 0.000 0.000 0.299 250 V C -0.043 175.769 176.094 -0.469 0.000 1.035 250 V CA -0.728 61.257 62.300 -0.525 0.000 0.889 250 V CB 1.626 32.840 31.823 -1.016 0.000 0.988 250 V HN 0.914 nan 8.190 nan 0.000 0.440 251 K N 2.027 122.023 120.400 -0.674 0.000 2.267 251 K HA 0.832 5.152 4.320 0.000 0.000 0.246 251 K C 0.498 176.777 176.600 -0.535 0.000 0.954 251 K CA 0.112 56.058 56.287 -0.568 0.000 0.824 251 K CB 2.164 34.301 32.500 -0.605 0.000 1.167 251 K HN 1.023 nan 8.250 nan 0.000 0.431 252 G N 0.801 109.457 108.800 -0.240 0.000 2.715 252 G HA2 -0.249 3.711 3.960 0.000 0.000 0.221 252 G HA3 -0.249 3.711 3.960 0.000 0.000 0.221 252 G C -0.233 174.637 174.900 -0.049 0.000 1.204 252 G CA -0.140 44.896 45.100 -0.106 0.000 1.063 252 G HN 0.590 nan 8.290 nan 0.000 0.586 253 S N 0.113 115.804 115.700 -0.015 0.000 2.576 253 S HA 0.289 4.759 4.470 0.000 0.000 0.272 253 S C 1.319 175.996 174.600 0.128 0.000 1.352 253 S CA 1.111 59.340 58.200 0.049 0.000 1.021 253 S CB 0.891 64.132 63.200 0.068 0.000 0.887 253 S HN 0.725 nan 8.310 nan 0.000 0.542 254 N N 0.760 119.536 118.700 0.126 0.000 2.388 254 N HA 0.261 5.001 4.740 0.000 0.000 0.176 254 N C -0.531 175.032 175.510 0.088 0.000 1.062 254 N CA 0.203 53.335 53.050 0.137 0.000 0.895 254 N CB 0.072 38.586 38.487 0.045 0.000 1.018 254 N HN 0.412 nan 8.380 nan 0.000 0.456 255 L N 2.346 123.618 121.223 0.081 0.000 2.255 255 L HA 0.365 4.705 4.340 0.000 0.000 0.289 255 L C -0.906 176.027 176.870 0.105 0.000 1.046 255 L CA -0.106 54.725 54.840 -0.015 0.000 0.816 255 L CB -0.575 41.480 42.059 -0.007 0.000 1.197 255 L HN 0.127 nan 8.230 nan 0.000 0.427 256 F N 2.161 122.091 119.950 -0.032 0.000 2.773 256 F HA 0.678 5.205 4.527 0.000 0.000 0.314 256 F C -1.240 174.540 175.800 -0.033 0.000 1.160 256 F CA -1.451 56.527 58.000 -0.037 0.000 0.920 256 F CB 1.446 40.417 39.000 -0.049 0.000 1.323 256 F HN 0.328 nan 8.300 nan 0.000 0.457 257 K N 1.342 121.874 120.400 0.219 0.000 2.435 257 K HA 0.842 5.162 4.320 0.000 0.000 0.251 257 K C -2.200 174.525 176.600 0.209 0.000 0.954 257 K CA -0.890 55.479 56.287 0.137 0.000 0.820 257 K CB 2.935 35.453 32.500 0.029 0.000 1.292 257 K HN 0.828 nan 8.250 nan 0.000 0.436 258 L N 1.548 122.869 121.223 0.164 0.000 2.346 258 L HA 0.456 4.796 4.340 0.000 0.000 0.274 258 L C -0.732 176.156 176.870 0.030 0.000 1.007 258 L CA -0.689 54.206 54.840 0.091 0.000 0.818 258 L CB 2.187 44.323 42.059 0.129 0.000 1.284 258 L HN 0.730 nan 8.230 nan 0.000 0.424 259 E N 1.830 122.015 120.200 -0.026 0.000 2.222 259 E HA 0.636 4.986 4.350 0.000 0.000 0.267 259 E C -1.479 175.069 176.600 -0.086 0.000 0.884 259 E CA -0.704 55.673 56.400 -0.038 0.000 0.764 259 E CB 3.019 32.701 29.700 -0.030 0.000 1.169 259 E HN 0.159 nan 8.360 nan 0.000 0.413 260 V N 2.895 122.732 119.914 -0.128 0.000 2.638 260 V HA 0.512 4.632 4.120 0.000 0.000 0.306 260 V C -0.498 175.509 176.094 -0.146 0.000 1.052 260 V CA -0.838 61.329 62.300 -0.223 0.000 0.885 260 V CB 1.818 33.292 31.823 -0.582 0.000 0.999 260 V HN 0.604 nan 8.190 nan 0.000 0.424 261 R N 3.215 123.662 120.500 -0.089 0.000 2.628 261 R HA 0.665 5.005 4.340 0.000 0.000 0.288 261 R C -1.577 174.714 176.300 -0.015 0.000 0.980 261 R CA -0.879 55.202 56.100 -0.032 0.000 0.891 261 R CB 2.555 32.862 30.300 0.013 0.000 1.188 261 R HN 0.536 nan 8.270 nan 0.000 0.450 262 L N 3.581 124.807 121.223 0.006 0.000 2.282 262 L HA 0.434 4.774 4.340 0.000 0.000 0.288 262 L C -1.446 175.495 176.870 0.119 0.000 1.033 262 L CA -0.520 54.349 54.840 0.050 0.000 0.807 262 L CB 1.090 43.151 42.059 0.003 0.000 1.209 262 L HN 0.426 nan 8.230 nan 0.000 0.423 263 L N 4.444 125.765 121.223 0.163 0.000 2.329 263 L HA 0.480 4.820 4.340 0.000 0.000 0.279 263 L C -0.101 176.923 176.870 0.256 0.000 1.014 263 L CA -0.514 54.426 54.840 0.166 0.000 0.814 263 L CB 1.495 43.606 42.059 0.086 0.000 1.257 263 L HN 0.703 nan 8.230 nan 0.000 0.424 264 D N 1.764 122.293 120.400 0.215 0.000 2.414 264 D HA 0.193 4.833 4.640 0.000 0.000 0.259 264 D C 0.982 177.238 176.300 -0.073 0.000 1.269 264 D CA 0.016 54.065 54.000 0.082 0.000 1.028 264 D CB 0.589 41.478 40.800 0.150 0.000 1.093 264 D HN 0.500 nan 8.370 nan 0.000 0.545 265 A N -0.657 122.047 122.820 -0.193 0.000 2.121 265 A HA -0.124 4.196 4.320 0.000 0.000 0.218 265 A C 1.491 179.000 177.584 -0.125 0.000 1.154 265 A CA 1.151 53.014 52.037 -0.289 0.000 0.679 265 A CB -0.615 18.068 19.000 -0.529 0.000 0.795 265 A HN 0.561 nan 8.150 nan 0.000 0.458 266 E N 0.145 120.319 120.200 -0.044 0.000 2.444 266 E HA 0.102 4.452 4.350 0.000 0.000 0.191 266 E C -0.008 176.587 176.600 -0.008 0.000 1.041 266 E CA -0.021 56.367 56.400 -0.020 0.000 0.883 266 E CB 0.033 29.737 29.700 0.007 0.000 1.024 266 E HN 0.517 nan 8.360 nan 0.000 0.470 267 N N 0.678 119.374 118.700 -0.007 0.000 2.850 267 N HA -0.194 4.546 4.740 0.000 0.000 0.249 267 N C -0.544 174.982 175.510 0.027 0.000 1.060 267 N CA 1.150 54.203 53.050 0.006 0.000 0.825 267 N CB -1.575 36.906 38.487 -0.010 0.000 1.132 267 N HN 0.410 nan 8.380 nan 0.000 0.564 268 K N -0.744 119.682 120.400 0.043 0.000 2.143 268 K HA 0.590 4.910 4.320 0.000 0.000 0.272 268 K C 0.288 176.934 176.600 0.076 0.000 1.001 268 K CA -0.711 55.607 56.287 0.052 0.000 0.915 268 K CB 2.302 34.832 32.500 0.050 0.000 1.047 268 K HN -0.069 nan 8.250 nan 0.000 0.458 269 V N 4.773 124.726 119.914 0.065 0.000 2.521 269 V HA -0.008 4.112 4.120 0.000 0.000 0.286 269 V C 0.717 176.858 176.094 0.078 0.000 1.034 269 V CA 0.151 62.493 62.300 0.070 0.000 1.045 269 V CB 0.790 32.644 31.823 0.050 0.000 0.974 269 V HN 0.801 nan 8.190 nan 0.000 0.480 270 V N 4.033 124.005 119.914 0.097 0.000 3.523 270 V HA 0.779 4.899 4.120 0.000 0.000 0.255 270 V C 0.571 176.692 176.094 0.046 0.000 1.226 270 V CA 0.713 63.067 62.300 0.090 0.000 1.092 270 V CB -0.238 31.676 31.823 0.152 0.000 0.817 270 V HN 1.292 nan 8.190 nan 0.000 0.458 271 A N 1.377 124.217 122.820 0.033 0.000 2.612 271 A HA 0.793 5.113 4.320 0.000 0.000 0.293 271 A C -1.197 176.396 177.584 0.014 0.000 1.075 271 A CA -0.181 51.865 52.037 0.016 0.000 0.680 271 A CB 1.422 20.420 19.000 -0.004 0.000 1.279 271 A HN 0.677 nan 8.150 nan 0.000 0.411 272 N N -0.081 118.629 118.700 0.017 0.000 2.859 272 N HA 0.681 5.421 4.740 0.000 0.000 0.250 272 N C -0.413 175.114 175.510 0.029 0.000 1.341 272 N CA -0.032 53.022 53.050 0.006 0.000 0.881 272 N CB 1.592 40.085 38.487 0.009 0.000 1.516 272 N HN 1.502 nan 8.380 nan 0.000 0.503 273 G N -0.640 108.170 108.800 0.017 0.000 2.650 273 G HA2 0.712 4.672 3.960 0.000 0.000 0.310 273 G HA3 0.712 4.672 3.960 0.000 0.000 0.310 273 G C -1.333 173.604 174.900 0.063 0.000 1.270 273 G CA 0.008 45.158 45.100 0.083 0.000 0.810 273 G HN 1.018 nan 8.290 nan 0.000 0.493 274 T N -3.907 110.731 114.554 0.140 0.000 2.754 274 T HA 0.855 5.205 4.350 0.000 0.000 0.296 274 T C 0.558 175.374 174.700 0.195 0.000 1.205 274 T CA 0.483 62.650 62.100 0.112 0.000 1.009 274 T CB 1.389 70.296 68.868 0.065 0.000 1.368 274 T HN 2.735 nan 8.240 nan 0.000 0.509 275 G N 0.186 109.075 108.800 0.148 0.000 2.796 275 G HA2 -0.035 3.925 3.960 0.000 0.000 0.571 275 G HA3 -0.035 3.925 3.960 0.000 0.000 0.571 275 G C 0.659 175.693 174.900 0.224 0.000 1.370 275 G CA 0.670 45.859 45.100 0.148 0.000 0.856 275 G HN 2.033 nan 8.290 nan 0.000 0.538 276 T N -2.210 112.445 114.554 0.168 0.000 3.088 276 T HA 0.334 4.684 4.350 0.000 0.000 0.259 276 T C 0.880 175.652 174.700 0.120 0.000 1.122 276 T CA 1.962 64.165 62.100 0.171 0.000 1.095 276 T CB -0.206 68.746 68.868 0.139 0.000 0.930 276 T HN 1.500 nan 8.240 nan 0.000 0.508 277 Q N -0.807 119.006 119.800 0.022 0.000 2.511 277 Q HA 0.698 5.038 4.340 0.000 0.000 0.289 277 Q C -0.661 175.024 176.000 -0.525 0.000 1.021 277 Q CA -1.338 54.322 55.803 -0.239 0.000 0.785 277 Q CB 1.802 30.437 28.738 -0.171 0.000 1.472 277 Q HN 0.284 nan 8.270 nan 0.000 0.411 278 G N 0.182 108.364 108.800 -1.030 0.000 2.313 278 G HA2 0.278 4.238 3.960 0.000 0.000 0.296 278 G HA3 0.278 4.238 3.960 0.000 0.000 0.296 278 G C -2.208 172.211 174.900 -0.801 0.000 1.356 278 G CA -0.702 43.890 45.100 -0.847 0.000 0.833 278 G HN 0.594 nan 8.290 nan 0.000 0.552 279 Q N 0.110 119.745 119.800 -0.274 0.000 2.275 279 Q HA 0.562 4.902 4.340 0.000 0.000 0.266 279 Q C -1.087 174.950 176.000 0.062 0.000 1.002 279 Q CA -0.647 55.106 55.803 -0.085 0.000 0.761 279 Q CB 1.477 30.163 28.738 -0.087 0.000 1.255 279 Q HN 0.535 nan 8.270 nan 0.000 0.446 280 L N 3.490 124.796 121.223 0.139 0.000 2.276 280 L HA 0.474 4.814 4.340 0.000 0.000 0.286 280 L C -0.014 176.863 176.870 0.012 0.000 1.061 280 L CA -0.411 54.485 54.840 0.093 0.000 0.807 280 L CB 1.025 43.138 42.059 0.091 0.000 1.177 280 L HN 0.419 nan 8.230 nan 0.000 0.429 281 K N 2.451 122.851 120.400 -0.001 0.000 2.201 281 K HA 0.479 4.799 4.320 0.000 0.000 0.278 281 K C -1.072 175.503 176.600 -0.041 0.000 1.027 281 K CA -0.526 55.746 56.287 -0.025 0.000 0.909 281 K CB 1.436 33.927 32.500 -0.015 0.000 1.062 281 K HN 0.338 nan 8.250 nan 0.000 0.465 282 V N 7.239 127.110 119.914 -0.071 0.000 2.304 282 V HA 0.260 4.380 4.120 0.000 0.000 0.278 282 V C -2.303 173.761 176.094 -0.050 0.000 1.018 282 V CA -2.172 60.073 62.300 -0.091 0.000 0.814 282 V CB 0.940 32.631 31.823 -0.220 0.000 1.021 282 V HN 0.789 nan 8.190 nan 0.000 0.440 283 P HA 0.206 nan 4.420 nan 0.000 0.268 283 P C 0.884 178.188 177.300 0.007 0.000 1.204 283 P CA 0.802 63.900 63.100 -0.002 0.000 0.768 283 P CB 0.696 32.401 31.700 0.009 0.000 0.842 284 G N 2.088 110.892 108.800 0.007 0.000 2.338 284 G HA2 -0.218 3.742 3.960 0.000 0.000 0.296 284 G HA3 -0.218 3.742 3.960 0.000 0.000 0.296 284 G C 0.229 175.138 174.900 0.015 0.000 1.040 284 G CA -0.045 45.063 45.100 0.015 0.000 1.004 284 G HN 0.632 nan 8.290 nan 0.000 0.509 285 V N 0.008 119.925 119.914 0.005 0.000 2.999 285 V HA 0.468 4.588 4.120 0.000 0.000 0.307 285 V C 0.907 176.998 176.094 -0.005 0.000 1.084 285 V CA 0.833 63.139 62.300 0.011 0.000 1.155 285 V CB 1.300 33.101 31.823 -0.038 0.000 0.975 285 V HN 0.623 nan 8.190 nan 0.000 0.490 286 S N 7.416 123.094 115.700 -0.037 0.000 2.434 286 S HA 0.480 4.950 4.470 0.000 0.000 0.318 286 S C -0.263 174.277 174.600 -0.099 0.000 1.062 286 S CA -0.450 57.590 58.200 -0.266 0.000 1.116 286 S CB 0.295 62.878 63.200 -1.027 0.000 0.977 286 S HN 0.591 nan 8.310 nan 0.000 0.480 287 L N 2.281 123.462 121.223 -0.070 0.000 2.467 287 L HA 0.221 4.561 4.340 0.000 0.000 0.270 287 L C 0.256 177.011 176.870 -0.191 0.000 1.205 287 L CA -0.409 54.318 54.840 -0.188 0.000 0.828 287 L CB 0.405 42.169 42.059 -0.492 0.000 1.101 287 L HN 0.682 nan 8.230 nan 0.000 0.479 288 W N 2.596 123.717 121.300 -0.298 0.000 2.419 288 W HA 0.242 4.902 4.660 -0.000 0.000 0.312 288 W C -1.054 175.225 176.519 -0.399 0.000 1.323 288 W CA -0.397 56.837 57.345 -0.185 0.000 1.293 288 W CB 0.384 29.789 29.460 -0.091 0.000 1.324 288 W HN 0.303 nan 8.180 nan 0.000 0.512 289 W N 8.544 129.643 121.300 -0.336 0.000 2.632 289 W HA 0.376 5.036 4.660 -0.000 0.000 0.328 289 W C -1.802 174.323 176.519 -0.656 0.000 1.044 289 W CA -2.443 54.723 57.345 -0.297 0.000 1.225 289 W CB 0.963 30.315 29.460 -0.179 0.000 1.396 289 W HN 0.199 nan 8.180 nan 0.000 0.499 290 P HA -0.159 nan 4.420 nan 0.000 0.268 290 P C -0.567 176.732 177.300 -0.001 0.000 1.208 290 P CA 0.026 63.036 63.100 -0.149 0.000 0.777 290 P CB 0.268 31.981 31.700 0.022 0.000 0.875 291 Y N 4.049 124.288 120.300 -0.102 0.000 2.881 291 Y HA -0.090 4.460 4.550 -0.000 0.000 0.335 291 Y C 1.345 177.236 175.900 -0.015 0.000 1.263 291 Y CA 0.593 58.674 58.100 -0.032 0.000 1.572 291 Y CB -0.614 37.861 38.460 0.025 0.000 1.237 291 Y HN 0.380 nan 8.280 nan 0.000 0.568 292 L N 3.290 124.262 121.223 -0.417 0.000 5.081 292 L HA -0.390 3.950 4.340 0.000 0.000 0.423 292 L C 1.623 178.383 176.870 -0.183 0.000 1.019 292 L CA 1.152 55.728 54.840 -0.441 0.000 1.223 292 L CB -1.385 40.252 42.059 -0.702 0.000 1.940 292 L HN 0.734 nan 8.230 nan 0.000 0.675 293 M N -0.917 118.647 119.600 -0.060 0.000 2.514 293 M HA 0.073 4.553 4.480 0.000 0.000 0.258 293 M C 0.692 176.899 176.300 -0.155 0.000 1.119 293 M CA 1.225 56.515 55.300 -0.017 0.000 1.111 293 M CB 0.325 33.037 32.600 0.187 0.000 1.390 293 M HN 0.336 nan 8.290 nan 0.000 0.475 294 H N -0.625 118.303 119.070 -0.238 0.000 3.046 294 H HA 0.179 4.735 4.556 0.000 0.000 0.361 294 H C -0.447 174.787 175.328 -0.157 0.000 1.235 294 H CA -0.245 55.603 56.048 -0.332 0.000 1.146 294 H CB 1.346 30.787 29.762 -0.534 0.000 1.859 294 H HN 0.075 nan 8.280 nan 0.000 0.548 295 E N 1.782 121.869 120.200 -0.189 0.000 2.265 295 E HA -0.087 4.263 4.350 0.000 0.000 0.196 295 E C 0.044 176.736 176.600 0.153 0.000 0.996 295 E CA 0.813 57.203 56.400 -0.018 0.000 0.832 295 E CB 0.362 30.003 29.700 -0.099 0.000 0.756 295 E HN 0.207 nan 8.360 nan 0.000 0.491 296 R N 0.984 121.709 120.500 0.375 0.000 2.547 296 R HA 0.195 4.535 4.340 0.000 0.000 0.280 296 R C -2.494 173.888 176.300 0.138 0.000 1.630 296 R CA -1.402 54.829 56.100 0.217 0.000 1.470 296 R CB 1.308 31.726 30.300 0.197 0.000 1.178 296 R HN 0.046 nan 8.270 nan 0.000 0.591 297 P HA 0.150 nan 4.420 nan 0.000 0.276 297 P C -0.160 177.004 177.300 -0.226 0.000 1.261 297 P CA -0.116 62.956 63.100 -0.047 0.000 0.800 297 P CB 1.198 32.893 31.700 -0.009 0.000 1.066 298 A N -1.209 121.221 122.820 -0.650 0.000 2.925 298 A HA -0.257 4.063 4.320 0.000 0.000 0.265 298 A C 0.034 177.430 177.584 -0.314 0.000 1.419 298 A CA 0.342 51.830 52.037 -0.915 0.000 0.807 298 A CB -3.049 15.713 19.000 -0.397 0.000 1.043 298 A HN 0.556 nan 8.150 nan 0.000 0.600 299 Y N -0.552 119.602 120.300 -0.244 0.000 2.677 299 Y HA 0.426 4.976 4.550 0.000 0.000 0.335 299 Y C 0.424 176.395 175.900 0.118 0.000 1.162 299 Y CA 0.844 58.908 58.100 -0.061 0.000 1.483 299 Y CB 0.180 38.599 38.460 -0.067 0.000 1.209 299 Y HN 0.402 nan 8.280 nan 0.000 0.528 300 L N 7.589 128.637 121.223 -0.292 0.000 2.313 300 L HA 0.373 4.713 4.340 0.000 0.000 0.283 300 L C -0.815 175.928 176.870 -0.211 0.000 1.013 300 L CA -0.799 54.025 54.840 -0.027 0.000 0.816 300 L CB 1.037 43.108 42.059 0.020 0.000 1.236 300 L HN 0.582 nan 8.230 nan 0.000 0.419 301 Y N 0.523 120.882 120.300 0.098 0.000 2.408 301 Y HA 0.448 4.998 4.550 0.000 0.000 0.324 301 Y C 0.724 176.643 175.900 0.032 0.000 1.302 301 Y CA -0.403 57.750 58.100 0.088 0.000 1.384 301 Y CB 1.607 40.147 38.460 0.134 0.000 1.367 301 Y HN 0.530 nan 8.280 nan 0.000 0.525 302 S N 1.125 116.941 115.700 0.193 0.000 2.502 302 S HA 0.540 5.010 4.470 0.000 0.000 0.304 302 S C -1.420 173.235 174.600 0.091 0.000 1.097 302 S CA -0.873 57.386 58.200 0.100 0.000 1.045 302 S CB 1.469 64.693 63.200 0.039 0.000 1.019 302 S HN 0.543 nan 8.310 nan 0.000 0.481 303 L N 2.433 123.692 121.223 0.060 0.000 2.255 303 L HA 0.484 4.824 4.340 0.000 0.000 0.289 303 L C -0.001 176.886 176.870 0.028 0.000 1.046 303 L CA -0.012 54.843 54.840 0.025 0.000 0.816 303 L CB 0.744 42.810 42.059 0.012 0.000 1.197 303 L HN 0.926 nan 8.230 nan 0.000 0.427 304 E N 4.395 124.608 120.200 0.021 0.000 2.081 304 E HA 0.376 4.726 4.350 0.000 0.000 0.276 304 E C -1.461 175.159 176.600 0.033 0.000 0.950 304 E CA -0.652 55.781 56.400 0.056 0.000 0.776 304 E CB 1.093 30.840 29.700 0.079 0.000 1.094 304 E HN 0.463 nan 8.360 nan 0.000 0.402 305 V N 5.337 125.283 119.914 0.053 0.000 2.370 305 V HA 0.196 4.316 4.120 0.000 0.000 0.279 305 V C -0.111 175.942 176.094 -0.067 0.000 1.029 305 V CA -0.540 61.751 62.300 -0.015 0.000 0.870 305 V CB 1.234 33.059 31.823 0.003 0.000 0.984 305 V HN 0.699 nan 8.190 nan 0.000 0.451 306 Q N 4.329 124.022 119.800 -0.178 0.000 2.348 306 Q HA 0.579 4.919 4.340 0.000 0.000 0.265 306 Q C -1.412 174.399 176.000 -0.315 0.000 0.998 306 Q CA -0.749 54.776 55.803 -0.464 0.000 0.831 306 Q CB 1.807 30.255 28.738 -0.485 0.000 1.251 306 Q HN 0.704 nan 8.270 nan 0.000 0.456 307 L N 3.620 124.646 121.223 -0.327 0.000 2.307 307 L HA 0.567 4.907 4.340 0.000 0.000 0.282 307 L C -1.087 175.686 176.870 -0.163 0.000 1.051 307 L CA 0.339 55.066 54.840 -0.188 0.000 0.804 307 L CB 2.047 43.991 42.059 -0.191 0.000 1.197 307 L HN 0.624 nan 8.230 nan 0.000 0.431 308 T N 4.901 119.424 114.554 -0.052 0.000 2.815 308 T HA 0.841 5.191 4.350 0.000 0.000 0.289 308 T C -0.630 174.108 174.700 0.064 0.000 1.000 308 T CA -0.352 61.741 62.100 -0.011 0.000 0.958 308 T CB 1.275 70.141 68.868 -0.004 0.000 0.944 308 T HN 0.828 nan 8.240 nan 0.000 0.442 309 A N 3.062 125.913 122.820 0.051 0.000 2.435 309 A HA 0.798 5.118 4.320 0.000 0.000 0.304 309 A C -1.060 176.562 177.584 0.062 0.000 1.064 309 A CA -0.969 51.125 52.037 0.094 0.000 0.727 309 A CB 1.403 20.434 19.000 0.052 0.000 1.284 309 A HN 0.570 nan 8.150 nan 0.000 0.415 310 Q N 0.932 120.774 119.800 0.070 0.000 2.278 310 Q HA 0.605 4.945 4.340 0.000 0.000 0.257 310 Q C 0.368 176.393 176.000 0.043 0.000 0.928 310 Q CA 0.020 55.850 55.803 0.046 0.000 0.932 310 Q CB 1.708 30.468 28.738 0.036 0.000 1.221 310 Q HN 0.901 nan 8.270 nan 0.000 0.434 311 T N -2.661 111.912 114.554 0.033 0.000 2.773 311 T HA 0.441 4.791 4.350 0.000 0.000 0.278 311 T C 0.675 175.389 174.700 0.024 0.000 1.011 311 T CA -0.610 61.508 62.100 0.029 0.000 1.014 311 T CB 1.093 69.977 68.868 0.028 0.000 1.293 311 T HN 0.242 nan 8.240 nan 0.000 0.554 312 S N -0.224 115.489 115.700 0.022 0.000 2.423 312 S HA 0.125 4.595 4.470 0.000 0.000 0.231 312 S C 1.347 175.959 174.600 0.019 0.000 1.014 312 S CA 0.671 58.883 58.200 0.019 0.000 0.965 312 S CB -0.554 62.657 63.200 0.018 0.000 0.785 312 S HN 0.553 nan 8.310 nan 0.000 0.495 313 L N 1.187 122.422 121.223 0.021 0.000 2.928 313 L HA 0.391 4.731 4.340 0.000 0.000 0.246 313 L C 0.939 177.823 176.870 0.023 0.000 1.239 313 L CA -0.332 54.520 54.840 0.021 0.000 1.035 313 L CB -0.408 41.664 42.059 0.021 0.000 1.360 313 L HN 0.371 nan 8.230 nan 0.000 0.529 314 G N 0.920 109.734 108.800 0.023 0.000 2.566 314 G HA2 -0.136 3.824 3.960 0.000 0.000 0.599 314 G HA3 -0.136 3.824 3.960 0.000 0.000 0.599 314 G C -3.077 171.839 174.900 0.027 0.000 1.292 314 G CA -1.075 44.039 45.100 0.024 0.000 0.922 314 G HN -0.029 nan 8.290 nan 0.000 0.514 315 P HA 0.501 nan 4.420 nan 0.000 0.275 315 P C 0.170 177.489 177.300 0.031 0.000 1.228 315 P CA 0.314 63.432 63.100 0.030 0.000 0.786 315 P CB 1.473 33.191 31.700 0.029 0.000 0.927 316 V N -0.590 119.342 119.914 0.029 0.000 3.102 316 V HA 0.778 4.898 4.120 0.000 0.000 0.312 316 V C -0.612 175.492 176.094 0.017 0.000 1.135 316 V CA -0.836 61.482 62.300 0.030 0.000 1.022 316 V CB 2.037 33.878 31.823 0.030 0.000 1.056 316 V HN 0.470 nan 8.190 nan 0.000 0.436 317 S N 1.526 117.243 115.700 0.027 0.000 2.500 317 S HA 0.701 5.171 4.470 0.000 0.000 0.301 317 S C -1.205 173.391 174.600 -0.006 0.000 1.092 317 S CA -0.374 57.815 58.200 -0.019 0.000 1.030 317 S CB 1.489 64.713 63.200 0.040 0.000 1.031 317 S HN 1.042 nan 8.310 nan 0.000 0.483 318 D N 0.714 121.041 120.400 -0.121 0.000 2.646 318 D HA 0.598 5.238 4.640 0.000 0.000 0.245 318 D C -1.669 174.519 176.300 -0.186 0.000 1.099 318 D CA -0.357 53.620 54.000 -0.038 0.000 0.849 318 D CB 0.807 41.604 40.800 -0.006 0.000 1.448 318 D HN 0.274 nan 8.370 nan 0.000 0.489 319 F N 2.944 122.933 119.950 0.064 0.000 2.493 319 F HA 0.455 4.982 4.527 0.000 0.000 0.329 319 F C -0.981 174.889 175.800 0.117 0.000 1.126 319 F CA -0.845 57.192 58.000 0.062 0.000 0.937 319 F CB 1.624 40.639 39.000 0.025 0.000 1.146 319 F HN 0.232 nan 8.300 nan 0.000 0.442 320 Y N 1.446 121.831 120.300 0.143 0.000 2.470 320 Y HA 0.583 5.133 4.550 0.000 0.000 0.341 320 Y C -0.939 175.002 175.900 0.068 0.000 1.021 320 Y CA -0.650 57.499 58.100 0.082 0.000 1.025 320 Y CB 2.140 40.620 38.460 0.033 0.000 1.266 320 Y HN 0.491 nan 8.280 nan 0.000 0.448 321 T N 7.095 121.432 114.554 -0.361 0.000 2.809 321 T HA 0.431 4.781 4.350 0.000 0.000 0.284 321 T C -1.643 172.941 174.700 -0.193 0.000 0.992 321 T CA -0.450 61.554 62.100 -0.160 0.000 0.957 321 T CB 0.957 69.751 68.868 -0.122 0.000 0.942 321 T HN 0.509 nan 8.240 nan 0.000 0.439 322 L N 6.343 127.588 121.223 0.036 0.000 2.305 322 L HA 0.578 4.918 4.340 0.000 0.000 0.284 322 L C -2.611 174.288 176.870 0.048 0.000 1.013 322 L CA -2.179 52.720 54.840 0.097 0.000 0.819 322 L CB 1.093 43.257 42.059 0.174 0.000 1.227 322 L HN 0.289 nan 8.230 nan 0.000 0.417 323 P HA 0.181 nan 4.420 nan 0.000 0.268 323 P C -1.302 176.026 177.300 0.047 0.000 1.205 323 P CA -0.067 63.060 63.100 0.046 0.000 0.771 323 P CB 0.917 32.646 31.700 0.047 0.000 0.858 324 V N 2.937 122.906 119.914 0.093 0.000 2.577 324 V HA 0.647 4.767 4.120 0.000 0.000 0.303 324 V C 0.449 176.638 176.094 0.157 0.000 1.042 324 V CA -0.507 61.842 62.300 0.082 0.000 0.872 324 V CB 2.099 33.972 31.823 0.084 0.000 0.998 324 V HN 0.703 nan 8.190 nan 0.000 0.423 325 G N 4.578 113.393 108.800 0.025 0.000 2.437 325 G HA2 0.660 4.620 3.960 0.000 0.000 0.315 325 G HA3 0.660 4.620 3.960 0.000 0.000 0.315 325 G C -0.622 174.279 174.900 0.002 0.000 1.210 325 G CA -0.501 44.636 45.100 0.062 0.000 0.943 325 G HN 0.664 nan 8.290 nan 0.000 0.471 326 I N 2.818 123.466 120.570 0.131 0.000 2.347 326 I HA 0.357 4.527 4.170 0.000 0.000 0.294 326 I C 0.395 176.479 176.117 -0.055 0.000 1.090 326 I CA -0.289 61.011 61.300 0.000 0.000 1.314 326 I CB 0.317 38.304 38.000 -0.021 0.000 1.423 326 I HN 0.651 nan 8.210 nan 0.000 0.503 327 R N 3.451 123.876 120.500 -0.125 0.000 2.664 327 R HA 0.673 5.013 4.340 0.000 0.000 0.266 327 R C -1.086 175.110 176.300 -0.174 0.000 1.046 327 R CA -0.864 55.130 56.100 -0.178 0.000 0.885 327 R CB 1.063 31.280 30.300 -0.138 0.000 1.254 327 R HN 0.373 nan 8.270 nan 0.000 0.465 328 T N -1.138 113.311 114.554 -0.174 0.000 2.924 328 T HA 0.807 5.157 4.350 0.000 0.000 0.291 328 T C -0.681 173.927 174.700 -0.152 0.000 1.045 328 T CA -0.848 61.164 62.100 -0.146 0.000 1.015 328 T CB 1.820 70.618 68.868 -0.117 0.000 1.103 328 T HN 0.414 nan 8.240 nan 0.000 0.496 329 V N 0.651 120.469 119.914 -0.160 0.000 2.638 329 V HA 0.895 5.015 4.120 0.000 0.000 0.306 329 V C -0.193 175.752 176.094 -0.248 0.000 1.052 329 V CA -0.806 61.364 62.300 -0.216 0.000 0.885 329 V CB 1.239 32.939 31.823 -0.206 0.000 0.999 329 V HN 1.467 nan 8.190 nan 0.000 0.424 330 A N 3.544 126.164 122.820 -0.335 0.000 2.594 330 A HA 0.931 5.251 4.320 0.000 0.000 0.295 330 A C -1.495 175.873 177.584 -0.361 0.000 1.071 330 A CA -0.598 51.277 52.037 -0.269 0.000 0.685 330 A CB 2.193 21.110 19.000 -0.139 0.000 1.285 330 A HN 0.772 nan 8.150 nan 0.000 0.405 331 V N 1.756 121.530 119.914 -0.233 0.000 2.487 331 V HA 0.709 4.829 4.120 0.000 0.000 0.298 331 V C 0.650 176.733 176.094 -0.019 0.000 1.028 331 V CA 0.134 62.348 62.300 -0.143 0.000 0.860 331 V CB 1.360 33.131 31.823 -0.086 0.000 0.991 331 V HN 1.270 nan 8.190 nan 0.000 0.427 332 T N 1.244 115.822 114.554 0.040 0.000 2.864 332 T HA 0.422 4.772 4.350 0.000 0.000 0.276 332 T C 0.827 175.596 174.700 0.116 0.000 1.006 332 T CA -0.574 61.567 62.100 0.069 0.000 0.970 332 T CB 1.270 70.182 68.868 0.074 0.000 1.420 332 T HN 0.450 nan 8.240 nan 0.000 0.601 333 K N 0.263 120.740 120.400 0.129 0.000 2.366 333 K HA 0.054 4.374 4.320 0.000 0.000 0.198 333 K C 1.641 178.417 176.600 0.294 0.000 1.044 333 K CA 1.145 57.536 56.287 0.173 0.000 0.973 333 K CB 0.028 32.608 32.500 0.133 0.000 0.767 333 K HN 0.682 nan 8.250 nan 0.000 0.475 334 S N -1.176 114.676 115.700 0.252 0.000 2.817 334 S HA 0.159 4.629 4.470 0.000 0.000 0.262 334 S C 0.066 174.792 174.600 0.209 0.000 1.051 334 S CA -0.699 57.660 58.200 0.265 0.000 1.185 334 S CB 0.581 63.920 63.200 0.231 0.000 1.152 334 S HN 0.022 nan 8.310 nan 0.000 0.653 335 Q N 0.255 120.176 119.800 0.201 0.000 2.423 335 Q HA 0.575 4.915 4.340 0.000 0.000 0.278 335 Q C -2.165 173.995 176.000 0.267 0.000 1.097 335 Q CA -0.718 55.215 55.803 0.216 0.000 0.809 335 Q CB 2.329 31.165 28.738 0.164 0.000 1.391 335 Q HN 0.368 nan 8.270 nan 0.000 0.428 336 F N 2.436 122.499 119.950 0.189 0.000 2.375 336 F HA 0.459 4.986 4.527 0.000 0.000 0.361 336 F C -1.445 174.477 175.800 0.204 0.000 1.117 336 F CA -0.603 57.527 58.000 0.216 0.000 1.037 336 F CB 0.606 39.810 39.000 0.341 0.000 1.192 336 F HN 0.326 nan 8.300 nan 0.000 0.452 337 L N 7.396 128.639 121.223 0.034 0.000 2.282 337 L HA 0.502 4.842 4.340 0.000 0.000 0.288 337 L C -0.495 176.394 176.870 0.031 0.000 1.033 337 L CA -0.589 54.306 54.840 0.091 0.000 0.807 337 L CB 1.582 43.656 42.059 0.025 0.000 1.209 337 L HN 0.501 nan 8.230 nan 0.000 0.423 338 I N 4.327 124.974 120.570 0.128 0.000 2.362 338 I HA 0.248 4.418 4.170 0.000 0.000 0.289 338 I C -0.219 175.910 176.117 0.020 0.000 0.994 338 I CA -0.545 60.766 61.300 0.018 0.000 1.158 338 I CB 1.358 39.323 38.000 -0.058 0.000 1.315 338 I HN 0.702 nan 8.210 nan 0.000 0.451 339 N N 5.019 123.657 118.700 -0.103 0.000 2.735 339 N HA -0.197 4.543 4.740 0.000 0.000 0.248 339 N C 0.960 176.494 175.510 0.040 0.000 1.083 339 N CA 1.251 54.222 53.050 -0.133 0.000 0.703 339 N CB -1.214 36.986 38.487 -0.479 0.000 1.005 339 N HN 1.145 nan 8.380 nan 0.000 0.550 340 G N -1.457 107.368 108.800 0.042 0.000 2.189 340 G HA2 -0.374 3.586 3.960 0.000 0.000 0.267 340 G HA3 -0.374 3.586 3.960 0.000 0.000 0.267 340 G C 0.010 174.989 174.900 0.131 0.000 0.975 340 G CA 1.072 46.217 45.100 0.075 0.000 0.644 340 G HN 0.541 nan 8.290 nan 0.000 0.537 341 K N 0.764 121.285 120.400 0.202 0.000 2.207 341 K HA 0.461 4.781 4.320 0.000 0.000 0.255 341 K C -2.716 174.025 176.600 0.236 0.000 0.941 341 K CA -2.153 54.270 56.287 0.225 0.000 0.825 341 K CB 2.123 34.808 32.500 0.308 0.000 1.119 341 K HN -0.085 nan 8.250 nan 0.000 0.430 342 P HA -0.038 nan 4.420 nan 0.000 0.264 342 P C -1.029 176.448 177.300 0.294 0.000 1.193 342 P CA 0.202 63.433 63.100 0.220 0.000 0.763 342 P CB 0.176 31.960 31.700 0.140 0.000 0.810 343 F N 4.633 124.688 119.950 0.176 0.000 2.508 343 F HA 0.560 5.087 4.527 0.000 0.000 0.325 343 F C -1.355 174.513 175.800 0.114 0.000 1.090 343 F CA -1.175 56.886 58.000 0.102 0.000 0.945 343 F CB 1.311 40.349 39.000 0.063 0.000 1.156 343 F HN 0.223 nan 8.300 nan 0.000 0.463 344 Y N 5.925 125.647 120.300 -0.963 0.000 2.331 344 Y HA 0.481 5.031 4.550 -0.000 0.000 0.334 344 Y C -1.379 173.775 175.900 -1.244 0.000 0.960 344 Y CA -1.117 56.544 58.100 -0.731 0.000 1.130 344 Y CB 0.852 39.108 38.460 -0.340 0.000 1.164 344 Y HN 0.508 nan 8.280 nan 0.000 0.458 345 F N 5.622 124.790 119.950 -1.303 0.000 2.506 345 F HA 0.161 4.688 4.527 -0.000 0.000 0.371 345 F C 0.007 175.274 175.800 -0.889 0.000 1.078 345 F CA 0.162 57.586 58.000 -0.960 0.000 1.195 345 F CB 0.250 38.894 39.000 -0.593 0.000 1.099 345 F HN 0.558 nan 8.300 nan 0.000 0.548 346 H N 1.151 119.909 119.070 -0.520 0.000 2.791 346 H HA 0.742 5.298 4.556 0.000 0.000 0.272 346 H C -0.214 174.657 175.328 -0.760 0.000 1.188 346 H CA -0.938 54.661 56.048 -0.748 0.000 1.436 346 H CB 0.664 29.866 29.762 -0.933 0.000 1.467 346 H HN 0.635 nan 8.280 nan 0.000 0.500 347 G N 0.780 109.481 108.800 -0.164 0.000 2.976 347 G HA2 0.633 4.593 3.960 0.000 0.000 0.276 347 G HA3 0.633 4.593 3.960 0.000 0.000 0.276 347 G C -1.046 174.034 174.900 0.300 0.000 1.207 347 G CA -0.374 44.806 45.100 0.132 0.000 0.803 347 G HN 0.927 nan 8.290 nan 0.000 0.572 348 V N -2.571 117.478 119.914 0.225 0.000 3.181 348 V HA 0.707 4.827 4.120 0.000 0.000 0.308 348 V C -1.188 174.938 176.094 0.054 0.000 1.214 348 V CA -1.363 61.032 62.300 0.157 0.000 1.053 348 V CB 1.883 33.833 31.823 0.210 0.000 1.069 348 V HN 0.638 nan 8.190 nan 0.000 0.441 349 N N 1.311 119.964 118.700 -0.078 0.000 2.487 349 N HA 0.558 5.298 4.740 0.000 0.000 0.292 349 N C -0.801 174.449 175.510 -0.433 0.000 1.108 349 N CA -0.608 52.291 53.050 -0.251 0.000 0.956 349 N CB 2.237 40.538 38.487 -0.310 0.000 1.176 349 N HN 0.681 nan 8.380 nan 0.000 0.484 350 K N 0.237 120.342 120.400 -0.492 0.000 2.246 350 K HA 0.521 4.841 4.320 0.000 0.000 0.239 350 K C -0.899 175.309 176.600 -0.653 0.000 1.089 350 K CA -0.694 55.284 56.287 -0.515 0.000 0.892 350 K CB 1.596 33.733 32.500 -0.605 0.000 1.334 350 K HN 0.442 nan 8.250 nan 0.000 0.507 351 H N 0.703 119.470 119.070 -0.505 0.000 3.046 351 H HA 0.143 4.699 4.556 0.000 0.000 0.361 351 H C -1.187 173.829 175.328 -0.520 0.000 1.235 351 H CA -0.541 55.192 56.048 -0.525 0.000 1.146 351 H CB 1.994 31.390 29.762 -0.609 0.000 1.859 351 H HN 0.525 nan 8.280 nan 0.000 0.548 352 E N 2.213 122.244 120.200 -0.283 0.000 1.932 352 E HA 0.132 4.482 4.350 0.000 0.000 0.275 352 E C -0.621 175.911 176.600 -0.113 0.000 1.159 352 E CA 0.079 56.310 56.400 -0.282 0.000 0.905 352 E CB 0.518 30.077 29.700 -0.235 0.000 1.059 352 E HN 0.301 nan 8.360 nan 0.000 0.400 353 D N 2.217 122.549 120.400 -0.114 0.000 2.871 353 D HA 0.451 5.091 4.640 0.000 0.000 0.209 353 D C -1.758 174.513 176.300 -0.047 0.000 1.292 353 D CA -0.373 53.606 54.000 -0.034 0.000 0.869 353 D CB 1.659 42.527 40.800 0.115 0.000 1.663 353 D HN 0.377 nan 8.370 nan 0.000 0.557 354 A N 2.928 125.700 122.820 -0.081 0.000 2.599 354 A HA 0.504 4.824 4.320 0.000 0.000 0.290 354 A C -1.117 176.429 177.584 -0.063 0.000 1.101 354 A CA -0.763 51.235 52.037 -0.064 0.000 0.674 354 A CB 1.228 20.167 19.000 -0.102 0.000 1.277 354 A HN 0.446 nan 8.150 nan 0.000 0.419 355 D N 0.938 121.314 120.400 -0.039 0.000 2.506 355 D HA 0.274 4.913 4.640 0.000 0.000 0.234 355 D C 1.378 177.649 176.300 -0.049 0.000 1.143 355 D CA 0.778 54.761 54.000 -0.029 0.000 0.871 355 D CB 0.432 41.218 40.800 -0.023 0.000 1.190 355 D HN 0.510 nan 8.370 nan 0.000 0.459 356 I N 0.684 121.234 120.570 -0.034 0.000 4.407 356 I HA -0.444 3.726 4.170 0.000 0.000 0.066 356 I C 1.923 178.001 176.117 -0.065 0.000 0.591 356 I CA 1.981 63.263 61.300 -0.031 0.000 1.050 356 I CB -1.509 36.478 38.000 -0.022 0.000 0.939 356 I HN 0.649 nan 8.210 nan 0.000 0.169 357 R N 2.643 123.078 120.500 -0.107 0.000 2.299 357 R HA 0.318 4.658 4.340 0.000 0.000 0.197 357 R C 1.499 177.628 176.300 -0.284 0.000 0.971 357 R CA 1.272 57.288 56.100 -0.140 0.000 1.030 357 R CB 0.016 30.244 30.300 -0.120 0.000 0.932 357 R HN 0.725 nan 8.270 nan 0.000 0.477 358 G N 2.431 110.968 108.800 -0.438 0.000 2.602 358 G HA2 -0.416 3.544 3.960 0.000 0.000 0.310 358 G HA3 -0.416 3.544 3.960 0.000 0.000 0.310 358 G C 0.357 174.876 174.900 -0.635 0.000 1.183 358 G CA 0.676 45.151 45.100 -1.041 0.000 0.979 358 G HN 0.391 nan 8.290 nan 0.000 0.545 359 K N 1.901 121.977 120.400 -0.539 0.000 2.387 359 K HA 0.363 4.683 4.320 0.000 0.000 0.198 359 K C 1.345 177.853 176.600 -0.153 0.000 1.022 359 K CA 0.351 56.501 56.287 -0.229 0.000 1.128 359 K CB 0.527 32.973 32.500 -0.090 0.000 0.853 359 K HN 0.683 nan 8.250 nan 0.000 0.523 360 G N 1.651 110.348 108.800 -0.171 0.000 2.353 360 G HA2 -0.043 3.917 3.960 0.000 0.000 0.239 360 G HA3 -0.043 3.917 3.960 0.000 0.000 0.239 360 G C -0.526 174.322 174.900 -0.086 0.000 1.295 360 G CA -0.318 44.725 45.100 -0.095 0.000 0.884 360 G HN 0.183 nan 8.290 nan 0.000 0.537 361 F N 1.591 121.442 119.950 -0.166 0.000 2.518 361 F HA 0.365 4.892 4.527 0.000 0.000 0.359 361 F C 0.255 175.924 175.800 -0.219 0.000 1.118 361 F CA 0.030 57.898 58.000 -0.219 0.000 1.287 361 F CB 1.184 40.035 39.000 -0.250 0.000 1.132 361 F HN 0.463 nan 8.300 nan 0.000 0.587 362 D N 4.425 124.054 120.400 -1.285 0.000 2.891 362 D HA 0.155 4.795 4.640 0.000 0.000 0.224 362 D C -0.275 175.472 176.300 -0.921 0.000 1.321 362 D CA -0.507 53.016 54.000 -0.794 0.000 0.929 362 D CB 0.539 41.107 40.800 -0.387 0.000 1.551 362 D HN 0.558 nan 8.370 nan 0.000 0.574 363 W N 2.881 123.915 121.300 -0.442 0.000 2.379 363 W HA 0.045 4.705 4.660 -0.000 0.000 0.307 363 W C -0.864 175.548 176.519 -0.178 0.000 1.200 363 W CA 0.844 58.044 57.345 -0.242 0.000 1.297 363 W CB -0.967 28.480 29.460 -0.022 0.000 1.140 363 W HN 0.505 nan 8.180 nan 0.000 0.507 364 P HA -0.208 nan 4.420 nan 0.000 0.215 364 P C 1.544 178.822 177.300 -0.036 0.000 1.157 364 P CA 1.725 64.844 63.100 0.032 0.000 0.868 364 P CB -0.250 31.456 31.700 0.011 0.000 0.788 365 L N -1.773 119.382 121.223 -0.113 0.000 2.093 365 L HA -0.155 4.185 4.340 0.000 0.000 0.208 365 L C 2.377 179.159 176.870 -0.147 0.000 1.085 365 L CA 0.792 55.548 54.840 -0.140 0.000 0.755 365 L CB -0.897 41.052 42.059 -0.182 0.000 0.904 365 L HN -0.012 nan 8.230 nan 0.000 0.435 366 L N -0.502 120.605 121.223 -0.192 0.000 1.989 366 L HA -0.199 4.141 4.340 0.000 0.000 0.211 366 L C 2.384 179.297 176.870 0.072 0.000 1.071 366 L CA 1.805 56.587 54.840 -0.097 0.000 0.749 366 L CB -0.393 41.559 42.059 -0.179 0.000 0.890 366 L HN -0.067 nan 8.230 nan 0.000 0.431 367 V N -0.346 119.613 119.914 0.076 0.000 2.358 367 V HA -0.263 3.857 4.120 0.000 0.000 0.246 367 V C 2.634 178.770 176.094 0.070 0.000 1.047 367 V CA 1.881 64.238 62.300 0.094 0.000 1.035 367 V CB -0.761 31.129 31.823 0.112 0.000 0.658 367 V HN 0.470 nan 8.190 nan 0.000 0.452 368 K N 0.920 121.327 120.400 0.012 0.000 2.032 368 K HA -0.214 4.106 4.320 0.000 0.000 0.209 368 K C 1.718 178.285 176.600 -0.056 0.000 1.048 368 K CA 2.048 58.316 56.287 -0.033 0.000 0.927 368 K CB -0.691 31.766 32.500 -0.072 0.000 0.712 368 K HN 0.433 nan 8.250 nan 0.000 0.441 369 D N -0.554 119.792 120.400 -0.089 0.000 2.123 369 D HA -0.136 4.504 4.640 0.000 0.000 0.196 369 D C 1.749 177.874 176.300 -0.293 0.000 0.992 369 D CA 1.177 55.051 54.000 -0.209 0.000 0.833 369 D CB -0.270 40.254 40.800 -0.461 0.000 0.954 369 D HN 0.212 nan 8.370 nan 0.000 0.455 370 F N 0.990 120.801 119.950 -0.233 0.000 2.186 370 F HA -0.100 4.427 4.527 0.000 0.000 0.299 370 F C 2.211 177.982 175.800 -0.049 0.000 1.090 370 F CA 0.689 58.546 58.000 -0.239 0.000 1.307 370 F CB -0.248 38.412 39.000 -0.567 0.000 1.019 370 F HN -0.079 nan 8.300 nan 0.000 0.489 371 N N 0.454 119.247 118.700 0.155 0.000 2.120 371 N HA -0.152 4.588 4.740 0.000 0.000 0.188 371 N C 1.993 177.608 175.510 0.175 0.000 1.024 371 N CA 1.190 54.344 53.050 0.173 0.000 0.852 371 N CB -0.623 37.934 38.487 0.116 0.000 1.003 371 N HN 0.285 nan 8.380 nan 0.000 0.424 372 L N 0.487 121.752 121.223 0.069 0.000 2.056 372 L HA -0.061 4.279 4.340 0.000 0.000 0.207 372 L C 2.219 179.310 176.870 0.369 0.000 1.078 372 L CA 0.583 55.482 54.840 0.098 0.000 0.749 372 L CB -0.389 41.483 42.059 -0.310 0.000 0.901 372 L HN 0.106 nan 8.230 nan 0.000 0.433 373 L N -0.662 120.700 121.223 0.231 0.000 2.012 373 L HA -0.228 4.112 4.340 0.000 0.000 0.210 373 L C 2.902 179.967 176.870 0.324 0.000 1.073 373 L CA 1.389 56.377 54.840 0.246 0.000 0.748 373 L CB -0.562 41.468 42.059 -0.047 0.000 0.891 373 L HN 0.215 nan 8.230 nan 0.000 0.431 374 R N -1.040 119.608 120.500 0.246 0.000 2.092 374 R HA -0.219 4.121 4.340 0.000 0.000 0.231 374 R C 2.083 178.748 176.300 0.607 0.000 1.119 374 R CA 1.852 58.094 56.100 0.236 0.000 0.970 374 R CB -0.604 29.720 30.300 0.040 0.000 0.864 374 R HN 0.450 nan 8.270 nan 0.000 0.440 375 W N 1.579 123.105 121.300 0.377 0.000 2.335 375 W HA -0.225 4.435 4.660 -0.000 0.000 0.311 375 W C 1.824 178.680 176.519 0.563 0.000 1.213 375 W CA 1.098 58.694 57.345 0.419 0.000 1.274 375 W CB -0.372 29.235 29.460 0.245 0.000 1.148 375 W HN 0.014 nan 8.180 nan 0.000 0.498 376 L N 1.532 123.124 121.223 0.616 0.000 2.265 376 L HA 0.117 4.457 4.340 0.000 0.000 0.215 376 L C 2.048 179.110 176.870 0.320 0.000 1.117 376 L CA 2.277 57.335 54.840 0.363 0.000 0.782 376 L CB -1.024 41.340 42.059 0.509 0.000 0.914 376 L HN 0.380 nan 8.230 nan 0.000 0.441 377 G N -1.723 107.252 108.800 0.292 0.000 2.136 377 G HA2 -0.222 3.738 3.960 0.000 0.000 0.242 377 G HA3 -0.222 3.738 3.960 0.000 0.000 0.242 377 G C 0.471 175.488 174.900 0.194 0.000 0.989 377 G CA 0.254 45.176 45.100 -0.296 0.000 0.682 377 G HN 0.893 nan 8.290 nan 0.000 0.522 378 A N 0.331 123.412 122.820 0.434 0.000 2.409 378 A HA 0.582 4.902 4.320 0.000 0.000 0.267 378 A C 1.144 178.889 177.584 0.269 0.000 1.127 378 A CA 0.597 52.862 52.037 0.381 0.000 0.795 378 A CB 0.241 19.487 19.000 0.409 0.000 1.061 378 A HN 1.052 nan 8.150 nan 0.000 0.502 379 N N 1.062 119.760 118.700 -0.005 0.000 2.203 379 N HA 0.422 5.162 4.740 0.000 0.000 0.207 379 N C -0.281 175.254 175.510 0.042 0.000 1.130 379 N CA 0.566 53.624 53.050 0.013 0.000 0.861 379 N CB 0.509 38.828 38.487 -0.280 0.000 1.005 379 N HN 0.827 nan 8.380 nan 0.000 0.507 380 A N -0.171 122.682 122.820 0.055 0.000 2.594 380 A HA 0.645 4.965 4.320 0.000 0.000 0.296 380 A C -1.767 175.898 177.584 0.136 0.000 1.061 380 A CA -0.992 51.080 52.037 0.057 0.000 0.689 380 A CB 0.641 19.734 19.000 0.154 0.000 1.280 380 A HN 0.294 nan 8.150 nan 0.000 0.406 381 F N -0.574 119.357 119.950 -0.032 0.000 2.626 381 F HA 0.878 5.405 4.527 0.000 0.000 0.311 381 F C -0.497 175.214 175.800 -0.148 0.000 1.088 381 F CA -0.990 56.948 58.000 -0.104 0.000 0.949 381 F CB 1.520 40.405 39.000 -0.192 0.000 1.322 381 F HN 0.729 nan 8.300 nan 0.000 0.461 382 R N 0.597 121.121 120.500 0.040 0.000 2.428 382 R HA 0.434 4.774 4.340 0.000 0.000 0.294 382 R C -0.249 175.948 176.300 -0.172 0.000 1.000 382 R CA -0.210 55.824 56.100 -0.111 0.000 0.960 382 R CB 1.487 31.733 30.300 -0.091 0.000 1.076 382 R HN 0.962 nan 8.270 nan 0.000 0.475 383 T N 1.136 115.442 114.554 -0.414 0.000 4.309 383 T HA 0.083 4.433 4.350 0.000 0.000 0.242 383 T C -0.036 174.222 174.700 -0.736 0.000 1.142 383 T CA -0.599 60.927 62.100 -0.956 0.000 1.042 383 T CB -0.649 67.489 68.868 -1.217 0.000 1.366 383 T HN 0.524 nan 8.240 nan 0.000 0.942 384 S N 2.289 117.611 115.700 -0.630 0.000 2.525 384 S HA 0.105 4.575 4.470 0.000 0.000 0.285 384 S C -0.072 173.697 174.600 -1.386 0.000 1.283 384 S CA -0.679 56.956 58.200 -0.942 0.000 1.072 384 S CB -0.004 62.585 63.200 -1.018 0.000 0.867 384 S HN 0.692 nan 8.310 nan 0.000 0.492 385 H N 3.329 121.684 119.070 -1.192 0.000 2.471 385 H HA 0.332 4.888 4.556 -0.000 0.000 0.234 385 H C -1.098 173.973 175.328 -0.429 0.000 1.388 385 H CA -0.340 55.410 56.048 -0.498 0.000 1.198 385 H CB -0.299 29.465 29.762 0.003 0.000 1.714 385 H HN 0.884 nan 8.280 nan 0.000 0.536 386 Y N -2.655 117.542 120.300 -0.172 0.000 2.717 386 Y HA 0.371 4.921 4.550 -0.000 0.000 0.345 386 Y C -3.272 172.542 175.900 -0.144 0.000 1.187 386 Y CA -2.900 55.036 58.100 -0.273 0.000 1.128 386 Y CB 0.208 38.115 38.460 -0.923 0.000 1.360 386 Y HN -0.121 nan 8.280 nan 0.000 0.467 387 P HA 0.113 nan 4.420 nan 0.000 0.271 387 P C -0.874 176.652 177.300 0.377 0.000 1.216 387 P CA 0.443 63.624 63.100 0.135 0.000 0.776 387 P CB 0.656 32.455 31.700 0.165 0.000 0.881 388 Y N 0.581 120.940 120.300 0.098 0.000 2.340 388 Y HA 0.425 4.975 4.550 0.000 0.000 0.327 388 Y C 1.328 177.273 175.900 0.074 0.000 1.321 388 Y CA -2.167 56.002 58.100 0.115 0.000 1.433 388 Y CB -0.329 38.175 38.460 0.072 0.000 1.373 388 Y HN 0.414 nan 8.280 nan 0.000 0.538 389 A N 0.830 123.778 122.820 0.213 0.000 2.561 389 A HA -0.027 4.293 4.320 0.000 0.000 0.234 389 A C 1.261 178.819 177.584 -0.043 0.000 1.055 389 A CA 0.043 52.097 52.037 0.029 0.000 0.756 389 A CB -0.199 18.769 19.000 -0.053 0.000 0.986 389 A HN 0.890 nan 8.150 nan 0.000 0.505 390 E N 1.287 121.399 120.200 -0.148 0.000 2.130 390 E HA -0.245 4.106 4.350 0.000 0.000 0.196 390 E C 1.536 177.918 176.600 -0.364 0.000 0.998 390 E CA 1.952 58.195 56.400 -0.263 0.000 0.806 390 E CB -0.100 29.347 29.700 -0.422 0.000 0.738 390 E HN 0.860 nan 8.360 nan 0.000 0.459 391 E N 0.171 120.125 120.200 -0.410 0.000 2.118 391 E HA -0.181 4.169 4.350 0.000 0.000 0.195 391 E C 2.052 178.589 176.600 -0.105 0.000 0.992 391 E CA 1.114 57.343 56.400 -0.285 0.000 0.804 391 E CB -0.121 29.296 29.700 -0.471 0.000 0.741 391 E HN 0.088 nan 8.360 nan 0.000 0.458 392 V N 0.568 120.474 119.914 -0.013 0.000 2.343 392 V HA -0.266 3.854 4.120 0.000 0.000 0.247 392 V C 2.103 178.229 176.094 0.053 0.000 1.051 392 V CA 1.474 63.855 62.300 0.134 0.000 1.036 392 V CB -0.389 31.617 31.823 0.306 0.000 0.654 392 V HN 0.336 nan 8.190 nan 0.000 0.451 393 M N -0.634 118.891 119.600 -0.125 0.000 2.175 393 M HA -0.104 4.376 4.480 0.000 0.000 0.264 393 M C 2.307 178.376 176.300 -0.386 0.000 1.063 393 M CA 1.449 56.509 55.300 -0.399 0.000 1.119 393 M CB -1.131 30.973 32.600 -0.827 0.000 1.377 393 M HN 0.385 nan 8.290 nan 0.000 0.415 394 Q N -0.328 119.338 119.800 -0.224 0.000 2.124 394 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 394 Q C 2.089 178.066 176.000 -0.037 0.000 0.977 394 Q CA 1.183 56.958 55.803 -0.047 0.000 0.850 394 Q CB -0.344 28.374 28.738 -0.032 0.000 0.901 394 Q HN 0.527 nan 8.270 nan 0.000 0.429 395 M N -0.310 119.196 119.600 -0.157 0.000 2.132 395 M HA -0.145 4.335 4.480 0.000 0.000 0.263 395 M C 2.445 178.608 176.300 -0.228 0.000 1.065 395 M CA 0.862 55.934 55.300 -0.380 0.000 1.122 395 M CB -0.959 30.979 32.600 -1.104 0.000 1.365 395 M HN 0.278 nan 8.290 nan 0.000 0.411 396 C N 0.948 120.224 119.300 -0.040 0.000 2.413 396 C HA -0.169 4.291 4.460 0.000 0.000 0.276 396 C C 2.299 177.452 174.990 0.272 0.000 1.248 396 C CA 0.848 59.986 59.018 0.199 0.000 1.742 396 C CB -1.128 26.653 27.740 0.068 0.000 2.017 396 C HN 0.533 nan 8.230 nan 0.000 0.481 397 D N 0.411 120.924 120.400 0.188 0.000 2.123 397 D HA -0.126 4.514 4.640 0.000 0.000 0.196 397 D C 2.322 178.899 176.300 0.462 0.000 0.992 397 D CA 1.279 55.483 54.000 0.340 0.000 0.833 397 D CB -0.414 40.504 40.800 0.197 0.000 0.954 397 D HN 0.553 nan 8.370 nan 0.000 0.455 398 R N -1.012 119.659 120.500 0.286 0.000 2.161 398 R HA -0.002 4.338 4.340 0.000 0.000 0.213 398 R C 1.515 177.893 176.300 0.129 0.000 1.055 398 R CA 0.487 56.704 56.100 0.195 0.000 0.996 398 R CB 0.023 30.411 30.300 0.147 0.000 0.901 398 R HN 0.256 nan 8.270 nan 0.000 0.456 399 Y N -0.602 119.717 120.300 0.032 0.000 2.462 399 Y HA 0.264 4.814 4.550 0.000 0.000 0.261 399 Y C 1.470 177.383 175.900 0.022 0.000 1.146 399 Y CA 0.305 58.413 58.100 0.014 0.000 1.283 399 Y CB 0.707 39.206 38.460 0.064 0.000 1.090 399 Y HN 0.218 nan 8.280 nan 0.000 0.526 400 G N 0.734 109.656 108.800 0.203 0.000 2.147 400 G HA2 -0.242 3.718 3.960 0.000 0.000 0.244 400 G HA3 -0.242 3.718 3.960 0.000 0.000 0.244 400 G C -0.185 174.841 174.900 0.210 0.000 1.005 400 G CA -0.038 45.060 45.100 -0.004 0.000 0.713 400 G HN 0.116 nan 8.290 nan 0.000 0.515 401 I N 1.982 122.739 120.570 0.312 0.000 2.301 401 I HA 0.312 4.482 4.170 0.000 0.000 0.292 401 I C 1.430 177.611 176.117 0.106 0.000 1.046 401 I CA -1.040 60.394 61.300 0.223 0.000 1.282 401 I CB 0.407 38.578 38.000 0.285 0.000 1.409 401 I HN 0.234 nan 8.210 nan 0.000 0.484 402 V N 6.359 126.302 119.914 0.048 0.000 3.051 402 V HA 0.525 4.645 4.120 0.000 0.000 0.306 402 V C 0.131 176.069 176.094 -0.260 0.000 1.083 402 V CA -0.351 61.900 62.300 -0.081 0.000 1.104 402 V CB 1.483 33.189 31.823 -0.195 0.000 1.027 402 V HN 0.395 nan 8.190 nan 0.000 0.483 403 V N 4.296 124.029 119.914 -0.301 0.000 2.638 403 V HA 0.466 4.586 4.120 0.000 0.000 0.306 403 V C -0.216 175.709 176.094 -0.282 0.000 1.052 403 V CA -0.398 61.642 62.300 -0.435 0.000 0.885 403 V CB 1.693 33.190 31.823 -0.545 0.000 0.999 403 V HN 0.833 nan 8.190 nan 0.000 0.424 404 I N 3.607 124.031 120.570 -0.243 0.000 2.291 404 I HA 0.293 4.463 4.170 0.000 0.000 0.290 404 I C -0.293 175.699 176.117 -0.209 0.000 1.050 404 I CA -0.068 61.115 61.300 -0.196 0.000 1.245 404 I CB 0.902 38.795 38.000 -0.179 0.000 1.405 404 I HN 0.534 nan 8.210 nan 0.000 0.478 405 D N 7.138 127.429 120.400 -0.182 0.000 2.347 405 D HA 0.142 4.782 4.640 0.000 0.000 0.235 405 D C -0.419 175.929 176.300 0.080 0.000 1.149 405 D CA -0.048 53.897 54.000 -0.092 0.000 0.850 405 D CB 0.881 41.654 40.800 -0.046 0.000 1.061 405 D HN 0.498 nan 8.370 nan 0.000 0.487 406 E N 2.879 123.069 120.200 -0.017 0.000 2.187 406 E HA 0.347 4.697 4.350 0.000 0.000 0.268 406 E C -0.122 176.511 176.600 0.055 0.000 0.896 406 E CA -0.909 55.519 56.400 0.047 0.000 0.766 406 E CB 0.874 30.572 29.700 -0.004 0.000 1.142 406 E HN 0.620 nan 8.360 nan 0.000 0.408 407 C N 2.549 121.920 119.300 0.118 0.000 2.470 407 C HA 0.535 4.995 4.460 0.000 0.000 0.350 407 C C -1.717 173.325 174.990 0.087 0.000 1.341 407 C CA -1.494 57.581 59.018 0.095 0.000 2.440 407 C CB 0.195 27.987 27.740 0.087 0.000 2.295 407 C HN 0.618 nan 8.230 nan 0.000 0.645 408 P HA 0.206 nan 4.420 nan 0.000 0.254 408 P C 0.598 177.913 177.300 0.025 0.000 1.631 408 P CA 0.585 63.742 63.100 0.094 0.000 0.861 408 P CB -0.696 31.100 31.700 0.160 0.000 1.663 409 G N 0.081 108.896 108.800 0.025 0.000 3.401 409 G HA2 0.240 4.200 3.960 0.000 0.000 0.251 409 G HA3 0.240 4.200 3.960 0.000 0.000 0.251 409 G C -0.259 174.720 174.900 0.132 0.000 0.960 409 G CA 0.015 45.145 45.100 0.051 0.000 1.900 409 G HN 0.330 nan 8.290 nan 0.000 0.645 410 V N -0.080 119.885 119.914 0.084 0.000 2.815 410 V HA 0.783 4.903 4.120 0.000 0.000 0.314 410 V C 1.033 177.209 176.094 0.137 0.000 1.064 410 V CA 0.669 63.030 62.300 0.101 0.000 0.952 410 V CB 1.550 33.439 31.823 0.109 0.000 1.020 410 V HN 1.208 nan 8.190 nan 0.000 0.439 411 G N 4.655 113.596 108.800 0.235 0.000 2.136 411 G HA2 -0.198 3.762 3.960 0.000 0.000 0.242 411 G HA3 -0.198 3.762 3.960 0.000 0.000 0.242 411 G C 0.063 175.130 174.900 0.278 0.000 0.989 411 G CA 0.327 45.641 45.100 0.356 0.000 0.682 411 G HN 0.942 nan 8.290 nan 0.000 0.522 412 L N 0.594 121.930 121.223 0.187 0.000 2.391 412 L HA 0.480 4.820 4.340 0.000 0.000 0.249 412 L C 1.826 178.841 176.870 0.242 0.000 1.308 412 L CA 0.307 55.227 54.840 0.132 0.000 1.209 412 L CB 0.217 42.230 42.059 -0.077 0.000 1.401 412 L HN 0.346 nan 8.230 nan 0.000 0.416 413 A N 2.378 125.337 122.820 0.231 0.000 2.115 413 A HA 0.335 4.655 4.320 0.000 0.000 0.211 413 A C 0.750 178.247 177.584 -0.144 0.000 1.169 413 A CA 0.254 52.316 52.037 0.042 0.000 0.787 413 A CB 0.337 19.293 19.000 -0.074 0.000 0.858 413 A HN 0.438 nan 8.150 nan 0.000 0.474 414 L N -0.726 120.225 121.223 -0.453 0.000 2.334 414 L HA 0.346 4.686 4.340 0.000 0.000 0.276 414 L C -1.850 174.807 176.870 -0.354 0.000 1.014 414 L CA -2.270 52.203 54.840 -0.611 0.000 0.815 414 L CB 1.658 43.023 42.059 -1.157 0.000 1.268 414 L HN -0.069 nan 8.230 nan 0.000 0.428 415 P HA -0.245 nan 4.420 nan 0.000 0.217 415 P C 1.269 178.566 177.300 -0.005 0.000 1.151 415 P CA 1.291 64.392 63.100 0.002 0.000 0.849 415 P CB 0.088 31.759 31.700 -0.048 0.000 0.787 416 Q N -1.883 117.794 119.800 -0.206 0.000 2.364 416 Q HA -0.122 4.218 4.340 0.000 0.000 0.207 416 Q C 1.132 177.119 176.000 -0.022 0.000 0.970 416 Q CA 1.136 56.862 55.803 -0.128 0.000 0.888 416 Q CB -0.849 27.793 28.738 -0.160 0.000 0.951 416 Q HN 0.168 nan 8.270 nan 0.000 0.469 417 F N 0.139 119.965 119.950 -0.207 0.000 2.748 417 F HA 0.194 4.721 4.527 -0.000 0.000 0.299 417 F C 0.081 175.516 175.800 -0.608 0.000 1.154 417 F CA -0.609 57.144 58.000 -0.412 0.000 1.446 417 F CB -0.151 38.498 39.000 -0.585 0.000 1.112 417 F HN -0.053 nan 8.300 nan 0.000 0.584 418 F N 1.651 121.607 119.950 0.011 0.000 2.329 418 F HA 0.292 4.819 4.527 -0.000 0.000 0.362 418 F C 0.005 175.865 175.800 0.101 0.000 1.113 418 F CA -1.086 56.879 58.000 -0.057 0.000 1.212 418 F CB -0.331 38.558 39.000 -0.185 0.000 1.509 418 F HN -0.071 nan 8.300 nan 0.000 0.546 419 N N -0.754 118.116 118.700 0.284 0.000 2.240 419 N HA 0.215 4.955 4.740 0.000 0.000 0.302 419 N C 0.503 176.161 175.510 0.246 0.000 1.106 419 N CA -1.017 52.164 53.050 0.218 0.000 0.778 419 N CB 0.860 39.431 38.487 0.140 0.000 1.431 419 N HN 0.256 nan 8.380 nan 0.000 0.479 420 N N 0.350 119.155 118.700 0.175 0.000 2.184 420 N HA -0.215 4.525 4.740 0.000 0.000 0.190 420 N C 0.763 176.354 175.510 0.136 0.000 1.011 420 N CA 1.403 54.541 53.050 0.147 0.000 0.867 420 N CB 0.088 38.627 38.487 0.088 0.000 0.993 420 N HN 0.431 nan 8.380 nan 0.000 0.433 421 V N 0.054 120.036 119.914 0.114 0.000 2.358 421 V HA -0.134 3.986 4.120 0.000 0.000 0.246 421 V C 2.407 178.602 176.094 0.168 0.000 1.047 421 V CA 1.419 63.777 62.300 0.098 0.000 1.035 421 V CB -0.578 31.275 31.823 0.050 0.000 0.658 421 V HN 0.267 nan 8.190 nan 0.000 0.452 422 S N 0.086 115.910 115.700 0.208 0.000 2.368 422 S HA -0.147 4.323 4.470 0.000 0.000 0.225 422 S C 1.889 176.687 174.600 0.331 0.000 1.030 422 S CA 1.581 59.955 58.200 0.289 0.000 0.999 422 S CB -0.374 63.020 63.200 0.324 0.000 0.844 422 S HN 0.437 nan 8.310 nan 0.000 0.459 423 L N 1.712 123.083 121.223 0.246 0.000 2.046 423 L HA -0.111 4.229 4.340 0.000 0.000 0.208 423 L C 2.160 178.984 176.870 -0.077 0.000 1.077 423 L CA 1.970 56.736 54.840 -0.122 0.000 0.747 423 L CB -0.958 41.035 42.059 -0.109 0.000 0.896 423 L HN 0.415 nan 8.230 nan 0.000 0.432 424 H N -1.334 117.709 119.070 -0.046 0.000 2.321 424 H HA -0.217 4.339 4.556 -0.000 0.000 0.300 424 H C 2.229 177.539 175.328 -0.030 0.000 1.087 424 H CA 2.058 58.066 56.048 -0.068 0.000 1.319 424 H CB -0.156 29.590 29.762 -0.028 0.000 1.379 424 H HN 0.599 nan 8.280 nan 0.000 0.501 425 H N -0.391 118.739 119.070 0.100 0.000 2.353 425 H HA -0.162 4.394 4.556 0.000 0.000 0.300 425 H C 2.170 177.498 175.328 -0.001 0.000 1.090 425 H CA 1.795 57.865 56.048 0.037 0.000 1.327 425 H CB -0.254 29.532 29.762 0.040 0.000 1.383 425 H HN 0.551 nan 8.280 nan 0.000 0.508 426 H N -0.187 118.777 119.070 -0.176 0.000 2.353 426 H HA -0.090 4.466 4.556 0.000 0.000 0.300 426 H C 2.642 177.806 175.328 -0.274 0.000 1.090 426 H CA 1.502 57.416 56.048 -0.223 0.000 1.327 426 H CB 0.152 29.831 29.762 -0.138 0.000 1.383 426 H HN 0.302 nan 8.280 nan 0.000 0.508 427 M N 0.082 119.577 119.600 -0.176 0.000 2.108 427 M HA -0.226 4.254 4.480 0.000 0.000 0.261 427 M C 2.332 178.501 176.300 -0.219 0.000 1.066 427 M CA 1.562 56.676 55.300 -0.309 0.000 1.107 427 M CB -0.087 32.098 32.600 -0.692 0.000 1.356 427 M HN 0.428 nan 8.290 nan 0.000 0.406 428 Q N -0.464 119.170 119.800 -0.275 0.000 2.079 428 Q HA -0.134 4.205 4.340 0.000 0.000 0.200 428 Q C 2.245 178.142 176.000 -0.171 0.000 0.974 428 Q CA 1.464 57.145 55.803 -0.203 0.000 0.840 428 Q CB -0.323 28.301 28.738 -0.191 0.000 0.898 428 Q HN 0.410 nan 8.270 nan 0.000 0.430 429 V N 1.007 120.764 119.914 -0.260 0.000 2.343 429 V HA -0.267 3.853 4.120 0.000 0.000 0.247 429 V C 2.341 178.372 176.094 -0.104 0.000 1.051 429 V CA 1.374 63.545 62.300 -0.216 0.000 1.036 429 V CB -0.432 31.180 31.823 -0.351 0.000 0.654 429 V HN 0.373 nan 8.190 nan 0.000 0.451 430 M N -0.534 119.027 119.600 -0.065 0.000 2.159 430 M HA -0.166 4.314 4.480 0.000 0.000 0.263 430 M C 2.163 178.361 176.300 -0.171 0.000 1.063 430 M CA 1.535 56.779 55.300 -0.094 0.000 1.110 430 M CB -1.214 31.353 32.600 -0.055 0.000 1.374 430 M HN 0.459 nan 8.290 nan 0.000 0.411 431 E N -0.174 119.965 120.200 -0.101 0.000 2.085 431 E HA -0.220 4.130 4.350 0.000 0.000 0.194 431 E C 1.947 178.482 176.600 -0.110 0.000 0.994 431 E CA 1.229 57.560 56.400 -0.115 0.000 0.801 431 E CB -0.115 29.565 29.700 -0.034 0.000 0.743 431 E HN 0.601 nan 8.360 nan 0.000 0.453 432 E N 0.215 120.374 120.200 -0.067 0.000 2.072 432 E HA -0.152 4.198 4.350 0.000 0.000 0.191 432 E C 2.238 178.821 176.600 -0.028 0.000 0.985 432 E CA 0.975 57.365 56.400 -0.017 0.000 0.801 432 E CB 0.110 29.833 29.700 0.038 0.000 0.750 432 E HN 0.066 nan 8.360 nan 0.000 0.452 433 V N 0.843 120.717 119.914 -0.067 0.000 2.261 433 V HA -0.239 3.881 4.120 0.000 0.000 0.246 433 V C 2.367 178.367 176.094 -0.158 0.000 1.047 433 V CA 1.376 63.640 62.300 -0.060 0.000 1.015 433 V CB -0.411 31.375 31.823 -0.062 0.000 0.642 433 V HN 0.129 nan 8.190 nan 0.000 0.446 434 V N 0.200 119.863 119.914 -0.420 0.000 2.287 434 V HA -0.304 3.816 4.120 0.000 0.000 0.248 434 V C 2.577 178.585 176.094 -0.144 0.000 1.053 434 V CA 2.510 64.493 62.300 -0.529 0.000 1.027 434 V CB -0.859 30.579 31.823 -0.642 0.000 0.646 434 V HN 0.532 nan 8.190 nan 0.000 0.447 435 R N 0.064 120.498 120.500 -0.108 0.000 2.103 435 R HA -0.221 4.119 4.340 0.000 0.000 0.242 435 R C 2.525 178.829 176.300 0.008 0.000 1.142 435 R CA 2.068 58.144 56.100 -0.041 0.000 0.960 435 R CB -0.300 29.981 30.300 -0.032 0.000 0.858 435 R HN 0.404 nan 8.270 nan 0.000 0.439 436 R N -0.479 120.043 120.500 0.036 0.000 2.090 436 R HA -0.081 4.259 4.340 0.000 0.000 0.228 436 R C 0.453 176.827 176.300 0.123 0.000 1.110 436 R CA 1.778 57.925 56.100 0.079 0.000 0.973 436 R CB 0.211 30.570 30.300 0.098 0.000 0.869 436 R HN 0.249 nan 8.270 nan 0.000 0.440 437 D N -0.489 120.034 120.400 0.206 0.000 2.433 437 D HA -0.021 4.619 4.640 0.000 0.000 0.211 437 D C 1.081 177.570 176.300 0.316 0.000 1.114 437 D CA 0.155 54.367 54.000 0.353 0.000 0.837 437 D CB 0.448 41.518 40.800 0.450 0.000 0.984 437 D HN 0.332 nan 8.370 nan 0.000 0.505 438 K N 0.573 121.129 120.400 0.260 0.000 2.218 438 K HA -0.113 4.207 4.320 0.000 0.000 0.205 438 K C 0.805 177.438 176.600 0.054 0.000 1.046 438 K CA 1.000 57.428 56.287 0.235 0.000 0.933 438 K CB -0.048 32.529 32.500 0.127 0.000 0.728 438 K HN -0.074 nan 8.250 nan 0.000 0.454 439 N N 0.537 119.190 118.700 -0.077 0.000 2.280 439 N HA 0.005 4.745 4.740 0.000 0.000 0.192 439 N C -0.545 174.819 175.510 -0.243 0.000 1.109 439 N CA 0.119 53.076 53.050 -0.156 0.000 0.855 439 N CB 0.179 38.574 38.487 -0.154 0.000 0.974 439 N HN 0.269 nan 8.380 nan 0.000 0.482 440 H N 1.578 120.585 119.070 -0.105 0.000 2.723 440 H HA 0.119 4.675 4.556 0.000 0.000 0.294 440 H C -1.185 173.939 175.328 -0.340 0.000 1.079 440 H CA -1.379 54.555 56.048 -0.189 0.000 1.411 440 H CB 1.417 31.079 29.762 -0.166 0.000 1.439 440 H HN 0.063 nan 8.280 nan 0.000 0.474 441 P HA -0.127 nan 4.420 nan 0.000 0.220 441 P C 1.218 177.933 177.300 -0.976 0.000 1.148 441 P CA 0.990 63.634 63.100 -0.760 0.000 0.803 441 P CB 0.274 31.260 31.700 -1.191 0.000 0.782 442 A N 0.006 122.380 122.820 -0.744 0.000 2.015 442 A HA 0.001 4.321 4.320 0.000 0.000 0.219 442 A C 1.309 178.670 177.584 -0.372 0.000 1.163 442 A CA 0.655 52.395 52.037 -0.494 0.000 0.646 442 A CB -1.085 17.829 19.000 -0.144 0.000 0.806 442 A HN 0.091 nan 8.150 nan 0.000 0.448 443 V N 1.465 121.160 119.914 -0.364 0.000 2.439 443 V HA 0.157 4.277 4.120 0.000 0.000 0.271 443 V C 1.301 177.143 176.094 -0.421 0.000 1.040 443 V CA 0.594 62.649 62.300 -0.408 0.000 1.002 443 V CB 1.027 32.564 31.823 -0.475 0.000 1.000 443 V HN 0.455 nan 8.190 nan 0.000 0.477 444 V N 2.139 121.860 119.914 -0.322 0.000 3.605 444 V HA 0.529 4.649 4.120 0.000 0.000 0.284 444 V C 0.167 176.207 176.094 -0.091 0.000 1.386 444 V CA 0.163 62.367 62.300 -0.160 0.000 1.053 444 V CB 0.098 31.925 31.823 0.007 0.000 0.857 444 V HN 0.733 nan 8.190 nan 0.000 0.436 445 M N 0.004 119.438 119.600 -0.278 0.000 2.490 445 M HA 0.510 4.990 4.480 0.000 0.000 0.286 445 M C -2.529 173.562 176.300 -0.350 0.000 1.185 445 M CA -0.396 54.773 55.300 -0.218 0.000 0.912 445 M CB 2.171 34.799 32.600 0.047 0.000 1.744 445 M HN 0.224 nan 8.290 nan 0.000 0.494 446 W N 1.916 123.237 121.300 0.035 0.000 2.417 446 W HA 0.655 5.315 4.660 -0.000 0.000 0.317 446 W C -0.047 176.496 176.519 0.040 0.000 1.121 446 W CA -0.629 56.729 57.345 0.021 0.000 1.208 446 W CB 1.671 31.145 29.460 0.024 0.000 1.253 446 W HN 0.556 nan 8.180 nan 0.000 0.533 447 S N 2.293 118.163 115.700 0.282 0.000 2.498 447 S HA 0.308 4.778 4.470 0.000 0.000 0.317 447 S C 0.351 175.105 174.600 0.256 0.000 1.090 447 S CA -0.805 57.529 58.200 0.224 0.000 1.089 447 S CB 1.019 64.303 63.200 0.140 0.000 0.997 447 S HN 0.575 nan 8.310 nan 0.000 0.470 448 V N 2.683 122.766 119.914 0.281 0.000 3.506 448 V HA 0.736 4.856 4.120 0.000 0.000 0.263 448 V C 0.512 176.833 176.094 0.378 0.000 1.203 448 V CA 0.837 63.309 62.300 0.287 0.000 1.133 448 V CB -0.791 31.126 31.823 0.158 0.000 0.802 448 V HN 0.999 nan 8.190 nan 0.000 0.459 449 A N 0.502 123.537 122.820 0.359 0.000 2.601 449 A HA 0.724 5.044 4.320 0.000 0.000 0.291 449 A C -1.401 176.386 177.584 0.338 0.000 1.075 449 A CA -0.344 51.904 52.037 0.351 0.000 0.671 449 A CB 1.219 20.421 19.000 0.336 0.000 1.277 449 A HN 0.373 nan 8.150 nan 0.000 0.417 450 N N 0.385 119.235 118.700 0.250 0.000 2.399 450 N HA 0.463 5.203 4.740 0.000 0.000 0.284 450 N C -0.790 174.827 175.510 0.178 0.000 1.025 450 N CA -0.123 53.035 53.050 0.180 0.000 0.885 450 N CB 0.943 39.407 38.487 -0.039 0.000 1.339 450 N HN 0.686 nan 8.380 nan 0.000 0.487 451 E N 0.617 120.966 120.200 0.248 0.000 2.228 451 E HA -0.178 4.172 4.350 0.000 0.000 0.213 451 E C -2.200 174.558 176.600 0.264 0.000 1.282 451 E CA 0.146 56.695 56.400 0.248 0.000 0.707 451 E CB -1.233 28.564 29.700 0.162 0.000 1.150 451 E HN 0.556 nan 8.360 nan 0.000 0.362 452 P HA 0.089 nan 4.420 nan 0.000 0.274 452 P C -0.218 177.237 177.300 0.259 0.000 1.246 452 P CA -0.131 63.137 63.100 0.280 0.000 0.795 452 P CB 0.769 32.591 31.700 0.203 0.000 1.006 453 A N 1.519 124.495 122.820 0.260 0.000 3.052 453 A HA 0.136 4.456 4.320 0.000 0.000 0.266 453 A C 1.370 178.772 177.584 -0.303 0.000 1.855 453 A CA 0.074 52.138 52.037 0.045 0.000 1.473 453 A CB -1.553 17.454 19.000 0.012 0.000 1.038 453 A HN 0.491 nan 8.150 nan 0.000 0.619 454 S N 0.529 116.211 115.700 -0.030 0.000 2.603 454 S HA -0.099 4.371 4.470 0.000 0.000 0.220 454 S C 1.562 176.156 174.600 -0.009 0.000 0.967 454 S CA 0.576 58.737 58.200 -0.066 0.000 0.920 454 S CB -0.646 62.637 63.200 0.138 0.000 0.773 454 S HN 0.909 nan 8.310 nan 0.000 0.529 455 H N 1.424 120.511 119.070 0.028 0.000 2.491 455 H HA 0.189 4.745 4.556 0.000 0.000 0.290 455 H C 0.547 175.848 175.328 -0.045 0.000 1.050 455 H CA 0.127 56.180 56.048 0.009 0.000 1.309 455 H CB -0.640 29.133 29.762 0.018 0.000 1.392 455 H HN 0.378 nan 8.280 nan 0.000 0.554 456 L N 2.010 122.916 121.223 -0.529 0.000 2.380 456 L HA 0.024 4.364 4.340 0.000 0.000 0.273 456 L C 1.559 178.276 176.870 -0.256 0.000 1.138 456 L CA -0.347 54.251 54.840 -0.403 0.000 0.832 456 L CB 1.187 42.896 42.059 -0.583 0.000 1.124 456 L HN 0.073 nan 8.230 nan 0.000 0.454 457 E N 1.250 121.364 120.200 -0.143 0.000 2.110 457 E HA -0.163 4.187 4.350 0.000 0.000 0.193 457 E C 2.109 178.664 176.600 -0.075 0.000 0.988 457 E CA 1.600 57.959 56.400 -0.069 0.000 0.804 457 E CB 0.049 29.729 29.700 -0.033 0.000 0.745 457 E HN 0.846 nan 8.360 nan 0.000 0.458 458 S N 1.125 116.746 115.700 -0.131 0.000 2.383 458 S HA -0.118 4.352 4.470 0.000 0.000 0.229 458 S C 2.260 176.750 174.600 -0.183 0.000 1.030 458 S CA 1.229 59.372 58.200 -0.095 0.000 1.002 458 S CB -0.272 62.880 63.200 -0.079 0.000 0.829 458 S HN 0.266 nan 8.310 nan 0.000 0.467 459 A N 1.997 124.469 122.820 -0.581 0.000 1.930 459 A HA 0.263 4.583 4.320 0.000 0.000 0.217 459 A C 2.416 179.837 177.584 -0.273 0.000 1.175 459 A CA 1.447 52.965 52.037 -0.864 0.000 0.627 459 A CB -1.744 16.483 19.000 -1.288 0.000 0.815 459 A HN 0.645 nan 8.150 nan 0.000 0.443 460 G N -1.468 107.249 108.800 -0.139 0.000 2.440 460 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 460 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 460 G C 1.565 176.503 174.900 0.063 0.000 1.154 460 G CA 1.343 46.471 45.100 0.046 0.000 0.767 460 G HN 0.595 nan 8.290 nan 0.000 0.552 461 Y N 0.075 120.351 120.300 -0.039 0.000 2.133 461 Y HA -0.156 4.394 4.550 -0.000 0.000 0.287 461 Y C 2.520 178.381 175.900 -0.064 0.000 1.134 461 Y CA 1.670 59.727 58.100 -0.071 0.000 1.133 461 Y CB -0.608 37.836 38.460 -0.027 0.000 0.987 461 Y HN 0.244 nan 8.280 nan 0.000 0.502 462 Y N 0.541 120.831 120.300 -0.018 0.000 2.069 462 Y HA -0.348 4.202 4.550 0.000 0.000 0.278 462 Y C 2.084 177.841 175.900 -0.238 0.000 1.175 462 Y CA 2.377 60.440 58.100 -0.062 0.000 1.134 462 Y CB -0.741 37.812 38.460 0.155 0.000 0.965 462 Y HN 0.208 nan 8.280 nan 0.000 0.498 463 L N 0.241 121.487 121.223 0.039 0.000 2.093 463 L HA -0.202 4.138 4.340 0.000 0.000 0.208 463 L C 2.605 179.306 176.870 -0.281 0.000 1.085 463 L CA 1.829 56.594 54.840 -0.126 0.000 0.755 463 L CB -0.651 41.290 42.059 -0.198 0.000 0.904 463 L HN 0.193 nan 8.230 nan 0.000 0.435 464 K N 0.045 120.150 120.400 -0.491 0.000 2.044 464 K HA -0.245 4.075 4.320 0.000 0.000 0.210 464 K C 2.168 178.422 176.600 -0.576 0.000 1.049 464 K CA 1.701 57.459 56.287 -0.882 0.000 0.927 464 K CB -0.011 31.678 32.500 -1.352 0.000 0.713 464 K HN 0.099 nan 8.250 nan 0.000 0.443 465 M N 0.565 119.802 119.600 -0.605 0.000 2.200 465 M HA -0.071 4.409 4.480 0.000 0.000 0.265 465 M C 2.291 178.380 176.300 -0.353 0.000 1.066 465 M CA 0.951 55.956 55.300 -0.493 0.000 1.127 465 M CB -0.630 31.609 32.600 -0.601 0.000 1.379 465 M HN 0.045 nan 8.290 nan 0.000 0.420 466 V N 0.642 120.310 119.914 -0.409 0.000 2.343 466 V HA -0.260 3.860 4.120 0.000 0.000 0.247 466 V C 2.440 178.429 176.094 -0.175 0.000 1.051 466 V CA 1.594 63.683 62.300 -0.352 0.000 1.036 466 V CB -0.595 30.890 31.823 -0.562 0.000 0.654 466 V HN 0.346 nan 8.190 nan 0.000 0.451 467 I N 0.275 120.756 120.570 -0.148 0.000 2.202 467 I HA -0.220 3.950 4.170 0.000 0.000 0.242 467 I C 2.698 178.790 176.117 -0.042 0.000 1.091 467 I CA 1.451 62.727 61.300 -0.040 0.000 1.368 467 I CB -0.601 37.420 38.000 0.036 0.000 1.058 467 I HN 0.288 nan 8.210 nan 0.000 0.410 468 A N 0.077 122.845 122.820 -0.088 0.000 1.908 468 A HA -0.331 3.989 4.320 0.000 0.000 0.218 468 A C 2.173 179.729 177.584 -0.046 0.000 1.181 468 A CA 2.241 54.238 52.037 -0.065 0.000 0.627 468 A CB -1.047 17.890 19.000 -0.104 0.000 0.818 468 A HN 0.514 nan 8.150 nan 0.000 0.445 469 H N -0.024 118.949 119.070 -0.162 0.000 2.319 469 H HA -0.104 4.452 4.556 0.000 0.000 0.299 469 H C 2.192 177.428 175.328 -0.154 0.000 1.092 469 H CA 2.426 58.377 56.048 -0.162 0.000 1.302 469 H CB -0.457 29.185 29.762 -0.200 0.000 1.373 469 H HN 0.417 nan 8.280 nan 0.000 0.497 470 T N 0.610 115.076 114.554 -0.146 0.000 2.674 470 T HA -0.133 4.217 4.350 0.000 0.000 0.265 470 T C 1.925 176.515 174.700 -0.183 0.000 1.039 470 T CA 1.642 63.600 62.100 -0.236 0.000 1.150 470 T CB -0.119 68.648 68.868 -0.168 0.000 0.864 470 T HN 0.362 nan 8.240 nan 0.000 0.427 471 K N 1.391 121.746 120.400 -0.075 0.000 2.113 471 K HA -0.132 4.188 4.320 0.000 0.000 0.208 471 K C 2.782 179.340 176.600 -0.070 0.000 1.047 471 K CA 1.726 57.998 56.287 -0.026 0.000 0.928 471 K CB -0.277 32.228 32.500 0.007 0.000 0.716 471 K HN 0.468 nan 8.250 nan 0.000 0.446 472 S N 1.012 116.637 115.700 -0.124 0.000 2.406 472 S HA -0.069 4.401 4.470 0.000 0.000 0.228 472 S C 2.016 176.511 174.600 -0.176 0.000 1.020 472 S CA 0.681 58.799 58.200 -0.135 0.000 0.965 472 S CB -0.420 62.697 63.200 -0.138 0.000 0.798 472 S HN 0.176 nan 8.310 nan 0.000 0.488 473 L N 0.932 121.995 121.223 -0.267 0.000 2.056 473 L HA 0.120 4.460 4.340 0.000 0.000 0.207 473 L C 0.652 177.434 176.870 -0.147 0.000 1.078 473 L CA 1.230 55.916 54.840 -0.257 0.000 0.749 473 L CB -0.271 41.565 42.059 -0.372 0.000 0.901 473 L HN 0.339 nan 8.230 nan 0.000 0.433 474 D N -0.796 119.547 120.400 -0.095 0.000 2.421 474 D HA 0.172 4.812 4.640 0.000 0.000 0.254 474 D C -1.878 174.454 176.300 0.054 0.000 1.238 474 D CA -2.104 51.911 54.000 0.026 0.000 0.919 474 D CB 1.557 42.468 40.800 0.186 0.000 1.152 474 D HN -0.149 nan 8.370 nan 0.000 0.552 475 P HA -0.042 nan 4.420 nan 0.000 0.237 475 P C 0.787 178.100 177.300 0.021 0.000 1.178 475 P CA 0.437 63.544 63.100 0.013 0.000 0.766 475 P CB 0.279 31.972 31.700 -0.010 0.000 0.876 476 S N -1.708 114.015 115.700 0.038 0.000 2.517 476 S HA 0.190 4.660 4.470 0.000 0.000 0.214 476 S C 0.898 175.486 174.600 -0.020 0.000 0.991 476 S CA -0.459 57.740 58.200 -0.001 0.000 0.906 476 S CB -0.068 63.123 63.200 -0.014 0.000 0.789 476 S HN 0.060 nan 8.310 nan 0.000 0.513 477 R N 1.405 121.925 120.500 0.033 0.000 2.795 477 R HA 0.579 4.919 4.340 0.000 0.000 0.275 477 R C -3.081 173.251 176.300 0.052 0.000 0.981 477 R CA -2.292 53.793 56.100 -0.026 0.000 0.917 477 R CB 1.244 31.435 30.300 -0.182 0.000 1.202 477 R HN 0.163 nan 8.270 nan 0.000 0.469 478 P HA 0.172 nan 4.420 nan 0.000 0.274 478 P C -0.758 176.639 177.300 0.162 0.000 1.246 478 P CA -0.349 62.801 63.100 0.084 0.000 0.795 478 P CB 0.872 32.615 31.700 0.071 0.000 1.006 479 V N 0.219 120.245 119.914 0.187 0.000 2.735 479 V HA 0.645 4.765 4.120 0.000 0.000 0.310 479 V C 0.359 176.566 176.094 0.188 0.000 1.061 479 V CA -0.310 62.131 62.300 0.234 0.000 0.913 479 V CB 1.751 33.712 31.823 0.229 0.000 1.005 479 V HN 0.768 nan 8.190 nan 0.000 0.428 480 T N 2.863 117.532 114.554 0.192 0.000 2.804 480 T HA 0.857 5.207 4.350 0.000 0.000 0.290 480 T C -1.675 173.180 174.700 0.258 0.000 1.099 480 T CA -0.407 61.784 62.100 0.151 0.000 1.011 480 T CB 1.670 70.560 68.868 0.036 0.000 1.291 480 T HN 0.753 nan 8.240 nan 0.000 0.523 481 F N 0.004 120.008 119.950 0.091 0.000 2.613 481 F HA 0.857 5.384 4.527 -0.000 0.000 0.314 481 F C -1.655 174.188 175.800 0.072 0.000 1.075 481 F CA -1.166 56.896 58.000 0.103 0.000 0.945 481 F CB 0.890 39.970 39.000 0.134 0.000 1.310 481 F HN 0.304 nan 8.300 nan 0.000 0.467 482 V N 2.269 122.210 119.914 0.045 0.000 2.394 482 V HA 0.558 4.678 4.120 0.000 0.000 0.282 482 V C -0.271 175.819 176.094 -0.008 0.000 1.031 482 V CA -0.338 61.915 62.300 -0.078 0.000 0.881 482 V CB 0.969 32.829 31.823 0.063 0.000 0.982 482 V HN 0.911 nan 8.190 nan 0.000 0.451 483 S N 3.230 118.834 115.700 -0.160 0.000 2.503 483 S HA 0.479 4.949 4.470 0.000 0.000 0.301 483 S C 0.379 175.039 174.600 0.099 0.000 1.087 483 S CA -0.733 57.492 58.200 0.041 0.000 1.042 483 S CB 1.134 64.294 63.200 -0.066 0.000 1.043 483 S HN 0.905 nan 8.310 nan 0.000 0.489 484 N N 1.900 120.731 118.700 0.218 0.000 2.235 484 N HA 0.173 4.913 4.740 0.000 0.000 0.231 484 N C -0.370 175.320 175.510 0.299 0.000 1.177 484 N CA -0.393 52.795 53.050 0.231 0.000 0.874 484 N CB 0.196 38.808 38.487 0.208 0.000 1.097 484 N HN 0.253 nan 8.380 nan 0.000 0.518 485 S N 0.921 116.847 115.700 0.376 0.000 2.600 485 S HA 0.090 4.560 4.470 0.000 0.000 0.265 485 S C 0.173 175.048 174.600 0.459 0.000 1.325 485 S CA -0.659 57.777 58.200 0.393 0.000 1.002 485 S CB 0.708 64.170 63.200 0.438 0.000 0.921 485 S HN 0.432 nan 8.310 nan 0.000 0.554 486 N N 0.887 119.755 118.700 0.281 0.000 2.513 486 N HA -0.020 4.720 4.740 0.000 0.000 0.268 486 N C 1.086 176.604 175.510 0.014 0.000 1.180 486 N CA -0.157 53.013 53.050 0.200 0.000 0.948 486 N CB 0.391 38.906 38.487 0.046 0.000 1.083 486 N HN 0.765 nan 8.380 nan 0.000 0.455 487 Y N 3.181 123.272 120.300 -0.348 0.000 2.241 487 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 487 Y C 1.855 177.443 175.900 -0.521 0.000 1.166 487 Y CA 1.572 58.963 58.100 -1.183 0.000 1.203 487 Y CB -0.676 36.817 38.460 -1.611 0.000 0.977 487 Y HN 0.518 nan 8.280 nan 0.000 0.529 488 A N 0.674 122.734 122.820 -1.266 0.000 2.016 488 A HA 0.294 4.614 4.320 0.000 0.000 0.217 488 A C 2.290 179.660 177.584 -0.356 0.000 1.162 488 A CA 1.084 52.594 52.037 -0.879 0.000 0.662 488 A CB -0.994 17.466 19.000 -0.899 0.000 0.812 488 A HN 0.676 nan 8.150 nan 0.000 0.450 489 A N -0.945 121.742 122.820 -0.222 0.000 2.169 489 A HA 0.157 4.477 4.320 0.000 0.000 0.210 489 A C 0.715 178.339 177.584 0.065 0.000 1.168 489 A CA 0.295 52.305 52.037 -0.045 0.000 0.813 489 A CB -0.089 18.915 19.000 0.007 0.000 0.861 489 A HN 0.311 nan 8.150 nan 0.000 0.481 490 D N 0.846 121.306 120.400 0.100 0.000 2.342 490 D HA 0.096 4.736 4.640 0.000 0.000 0.260 490 D C 0.582 177.011 176.300 0.215 0.000 1.278 490 D CA 0.092 54.236 54.000 0.239 0.000 0.910 490 D CB 0.697 41.737 40.800 0.401 0.000 1.079 490 D HN 0.052 nan 8.370 nan 0.000 0.496 491 K N 2.415 122.921 120.400 0.177 0.000 2.400 491 K HA 0.062 4.382 4.320 0.000 0.000 0.194 491 K C 1.656 178.402 176.600 0.242 0.000 1.033 491 K CA 0.255 56.638 56.287 0.160 0.000 1.021 491 K CB 0.357 32.912 32.500 0.091 0.000 0.808 491 K HN 0.454 nan 8.250 nan 0.000 0.505 492 G N 1.008 109.978 108.800 0.283 0.000 2.603 492 G HA2 -0.048 3.912 3.960 0.000 0.000 0.214 492 G HA3 -0.048 3.912 3.960 0.000 0.000 0.214 492 G C 1.621 176.825 174.900 0.506 0.000 1.140 492 G CA 0.596 45.937 45.100 0.402 0.000 0.800 492 G HN 0.283 nan 8.290 nan 0.000 0.533 493 A N 1.781 124.798 122.820 0.328 0.000 1.978 493 A HA 0.040 4.360 4.320 0.000 0.000 0.220 493 A C 0.578 177.989 177.584 -0.289 0.000 1.170 493 A CA 1.673 53.707 52.037 -0.005 0.000 0.636 493 A CB -1.035 17.855 19.000 -0.184 0.000 0.810 493 A HN 0.355 nan 8.150 nan 0.000 0.448 494 P HA -0.138 nan 4.420 nan 0.000 0.219 494 P C 0.419 177.506 177.300 -0.356 0.000 1.146 494 P CA 1.045 63.956 63.100 -0.316 0.000 0.808 494 P CB -0.160 31.208 31.700 -0.555 0.000 0.779 495 Y N -1.449 118.919 120.300 0.113 0.000 2.482 495 Y HA 0.086 4.636 4.550 -0.000 0.000 0.270 495 Y C 1.301 177.267 175.900 0.110 0.000 1.152 495 Y CA -0.598 57.563 58.100 0.103 0.000 1.292 495 Y CB -0.931 37.582 38.460 0.089 0.000 1.070 495 Y HN -0.196 nan 8.280 nan 0.000 0.528 496 V N -2.163 117.865 119.914 0.191 0.000 2.607 496 V HA 0.251 4.371 4.120 0.000 0.000 0.289 496 V C 0.612 176.763 176.094 0.094 0.000 1.053 496 V CA -0.740 61.647 62.300 0.146 0.000 0.996 496 V CB 1.483 33.344 31.823 0.063 0.000 0.995 496 V HN 0.038 nan 8.190 nan 0.000 0.476 497 D N 2.487 122.951 120.400 0.107 0.000 2.194 497 D HA 0.071 4.711 4.640 0.000 0.000 0.204 497 D C 0.502 176.867 176.300 0.109 0.000 0.964 497 D CA 1.202 55.263 54.000 0.100 0.000 0.846 497 D CB 0.416 41.276 40.800 0.100 0.000 0.962 497 D HN 0.483 nan 8.370 nan 0.000 0.490 498 V N 1.372 121.345 119.914 0.098 0.000 2.638 498 V HA 0.309 4.429 4.120 0.000 0.000 0.306 498 V C -0.075 176.010 176.094 -0.015 0.000 1.052 498 V CA -0.809 61.544 62.300 0.089 0.000 0.885 498 V CB 2.613 34.517 31.823 0.135 0.000 0.999 498 V HN -0.124 nan 8.190 nan 0.000 0.424 499 I N 3.625 124.177 120.570 -0.031 0.000 2.352 499 I HA 0.312 4.482 4.170 0.000 0.000 0.290 499 I C -0.294 175.693 176.117 -0.217 0.000 1.036 499 I CA 0.150 61.353 61.300 -0.160 0.000 1.336 499 I CB 0.744 38.682 38.000 -0.104 0.000 1.407 499 I HN 0.526 nan 8.210 nan 0.000 0.497 500 C N 7.563 126.673 119.300 -0.316 0.000 2.301 500 C HA 0.573 5.033 4.460 0.000 0.000 0.323 500 C C -0.006 174.795 174.990 -0.315 0.000 1.265 500 C CA -0.772 58.086 59.018 -0.268 0.000 1.503 500 C CB 0.142 27.748 27.740 -0.222 0.000 2.195 500 C HN 0.564 nan 8.230 nan 0.000 0.477 501 L N 4.256 125.329 121.223 -0.249 0.000 2.333 501 L HA 0.466 4.806 4.340 0.000 0.000 0.280 501 L C -0.632 176.186 176.870 -0.087 0.000 1.004 501 L CA -0.323 54.366 54.840 -0.251 0.000 0.820 501 L CB 1.212 43.066 42.059 -0.342 0.000 1.247 501 L HN 0.610 nan 8.230 nan 0.000 0.416 502 N N 2.193 120.873 118.700 -0.034 0.000 2.422 502 N HA 0.493 5.233 4.740 0.000 0.000 0.266 502 N C -0.709 174.819 175.510 0.031 0.000 1.007 502 N CA -0.289 52.770 53.050 0.015 0.000 0.941 502 N CB 1.871 40.428 38.487 0.116 0.000 1.115 502 N HN 0.657 nan 8.380 nan 0.000 0.492 503 S N 1.011 116.643 115.700 -0.113 0.000 2.537 503 S HA 0.555 5.025 4.470 0.000 0.000 0.270 503 S C -1.487 172.932 174.600 -0.303 0.000 1.142 503 S CA -0.761 57.344 58.200 -0.158 0.000 0.870 503 S CB 0.962 63.931 63.200 -0.385 0.000 1.112 503 S HN 0.427 nan 8.310 nan 0.000 0.466 504 Y N 0.778 121.027 120.300 -0.085 0.000 2.477 504 Y HA 0.372 4.922 4.550 0.000 0.000 0.340 504 Y C -0.938 175.047 175.900 0.141 0.000 0.987 504 Y CA -0.954 57.181 58.100 0.058 0.000 1.127 504 Y CB 0.119 38.621 38.460 0.069 0.000 1.139 504 Y HN 0.673 nan 8.280 nan 0.000 0.637 505 Y N 0.741 121.394 120.300 0.589 0.000 2.610 505 Y HA 0.138 4.688 4.550 -0.000 0.000 0.332 505 Y C 1.564 177.723 175.900 0.431 0.000 1.201 505 Y CA 0.645 59.019 58.100 0.457 0.000 1.465 505 Y CB 0.753 39.390 38.460 0.295 0.000 1.283 505 Y HN 0.567 nan 8.280 nan 0.000 0.563 506 S N 0.317 116.338 115.700 0.536 0.000 2.524 506 S HA -0.255 4.215 4.470 0.000 0.000 0.254 506 S C 0.963 175.837 174.600 0.456 0.000 1.258 506 S CA 1.168 59.655 58.200 0.480 0.000 1.448 506 S CB -2.064 61.434 63.200 0.496 0.000 1.806 506 S HN 0.920 nan 8.310 nan 0.000 0.630 507 W N 0.799 122.236 121.300 0.229 0.000 2.924 507 W HA 0.288 4.948 4.660 -0.000 0.000 0.273 507 W C 1.446 177.974 176.519 0.015 0.000 1.046 507 W CA 1.114 58.482 57.345 0.039 0.000 1.788 507 W CB -0.093 29.291 29.460 -0.126 0.000 1.127 507 W HN 0.372 nan 8.180 nan 0.000 0.571 508 Y N 0.752 121.085 120.300 0.056 0.000 2.511 508 Y HA 0.041 4.591 4.550 0.000 0.000 0.279 508 Y C -0.054 175.789 175.900 -0.095 0.000 1.157 508 Y CA 1.026 59.084 58.100 -0.070 0.000 1.300 508 Y CB -0.581 37.818 38.460 -0.102 0.000 1.052 508 Y HN 0.063 nan 8.280 nan 0.000 0.529 509 H N -4.897 114.399 119.070 0.377 0.000 3.014 509 H HA 0.316 4.872 4.556 0.000 0.000 0.337 509 H C -0.782 174.538 175.328 -0.013 0.000 1.320 509 H CA -1.884 54.183 56.048 0.031 0.000 1.128 509 H CB 0.312 30.135 29.762 0.102 0.000 1.862 509 H HN -0.224 nan 8.280 nan 0.000 0.536 510 D N 0.185 120.530 120.400 -0.093 0.000 2.735 510 D HA -0.206 4.434 4.640 0.000 0.000 0.235 510 D C -0.878 175.544 176.300 0.204 0.000 1.175 510 D CA 0.643 54.630 54.000 -0.023 0.000 0.683 510 D CB -1.237 39.599 40.800 0.059 0.000 1.008 510 D HN 0.389 nan 8.370 nan 0.000 0.416 511 Y N 0.461 120.871 120.300 0.182 0.000 2.804 511 Y HA 0.240 4.790 4.550 0.000 0.000 0.338 511 Y C 2.077 178.049 175.900 0.120 0.000 1.252 511 Y CA 0.751 58.880 58.100 0.048 0.000 1.576 511 Y CB -0.156 38.259 38.460 -0.075 0.000 1.223 511 Y HN 0.409 nan 8.280 nan 0.000 0.536 512 G N 1.622 110.579 108.800 0.262 0.000 2.217 512 G HA2 -0.268 3.692 3.960 0.000 0.000 0.246 512 G HA3 -0.268 3.692 3.960 0.000 0.000 0.246 512 G C 0.198 175.247 174.900 0.248 0.000 0.990 512 G CA -0.160 45.077 45.100 0.227 0.000 0.627 512 G HN 0.748 nan 8.290 nan 0.000 0.522 513 H N 1.312 120.543 119.070 0.268 0.000 2.855 513 H HA 0.371 4.927 4.556 0.000 0.000 0.238 513 H C 1.975 177.408 175.328 0.175 0.000 1.847 513 H CA 0.179 56.339 56.048 0.187 0.000 1.368 513 H CB -0.086 29.755 29.762 0.132 0.000 1.758 513 H HN 0.309 nan 8.280 nan 0.000 0.546 514 L N 1.019 122.359 121.223 0.196 0.000 2.187 514 L HA -0.204 4.136 4.340 0.000 0.000 0.213 514 L C 2.651 179.570 176.870 0.082 0.000 1.100 514 L CA 1.133 56.028 54.840 0.090 0.000 0.765 514 L CB -0.141 41.888 42.059 -0.050 0.000 0.904 514 L HN 0.492 nan 8.230 nan 0.000 0.437 515 E N 0.890 121.150 120.200 0.099 0.000 2.409 515 E HA -0.184 4.166 4.350 0.000 0.000 0.198 515 E C 1.791 178.425 176.600 0.057 0.000 1.024 515 E CA 1.097 57.540 56.400 0.071 0.000 0.861 515 E CB -0.212 29.537 29.700 0.082 0.000 0.788 515 E HN 0.576 nan 8.360 nan 0.000 0.521 516 L N 0.180 121.452 121.223 0.082 0.000 2.529 516 L HA 0.182 4.522 4.340 0.000 0.000 0.223 516 L C 2.411 179.256 176.870 -0.043 0.000 1.113 516 L CA -0.027 54.829 54.840 0.025 0.000 0.861 516 L CB -0.154 41.939 42.059 0.057 0.000 1.012 516 L HN 0.009 nan 8.230 nan 0.000 0.461 517 I N -0.137 120.424 120.570 -0.015 0.000 2.202 517 I HA -0.290 3.880 4.170 0.000 0.000 0.242 517 I C 2.543 178.538 176.117 -0.203 0.000 1.091 517 I CA 1.424 62.674 61.300 -0.084 0.000 1.368 517 I CB -0.164 37.809 38.000 -0.045 0.000 1.058 517 I HN 0.341 nan 8.210 nan 0.000 0.410 518 Q N 0.119 119.837 119.800 -0.137 0.000 2.084 518 Q HA -0.243 4.097 4.340 0.000 0.000 0.202 518 Q C 2.284 178.207 176.000 -0.129 0.000 0.978 518 Q CA 1.449 57.178 55.803 -0.123 0.000 0.844 518 Q CB -0.226 28.474 28.738 -0.064 0.000 0.898 518 Q HN 0.380 nan 8.270 nan 0.000 0.426 519 L N 0.985 122.134 121.223 -0.124 0.000 1.994 519 L HA -0.227 4.113 4.340 0.000 0.000 0.208 519 L C 2.101 178.848 176.870 -0.204 0.000 1.071 519 L CA 1.871 56.636 54.840 -0.124 0.000 0.745 519 L CB -0.367 41.634 42.059 -0.097 0.000 0.892 519 L HN 0.156 nan 8.230 nan 0.000 0.431 520 Q N -1.172 118.424 119.800 -0.340 0.000 2.167 520 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 520 Q C 2.154 177.794 176.000 -0.600 0.000 0.970 520 Q CA 1.330 56.781 55.803 -0.587 0.000 0.855 520 Q CB -0.245 27.874 28.738 -1.033 0.000 0.911 520 Q HN 0.405 nan 8.270 nan 0.000 0.438 521 L N 0.534 121.478 121.223 -0.465 0.000 2.072 521 L HA -0.056 4.284 4.340 0.000 0.000 0.205 521 L C 2.167 178.870 176.870 -0.278 0.000 1.079 521 L CA 1.761 56.388 54.840 -0.355 0.000 0.752 521 L CB -0.838 41.026 42.059 -0.325 0.000 0.906 521 L HN 0.116 nan 8.230 nan 0.000 0.436 522 A N -1.656 121.099 122.820 -0.108 0.000 1.883 522 A HA -0.224 4.096 4.320 0.000 0.000 0.217 522 A C 2.277 179.882 177.584 0.035 0.000 1.186 522 A CA 2.386 54.446 52.037 0.038 0.000 0.624 522 A CB -1.170 17.839 19.000 0.015 0.000 0.822 522 A HN 0.464 nan 8.150 nan 0.000 0.444 523 T N -0.445 114.077 114.554 -0.053 0.000 2.746 523 T HA -0.205 4.145 4.350 0.000 0.000 0.267 523 T C 2.074 176.764 174.700 -0.018 0.000 1.039 523 T CA 1.613 63.684 62.100 -0.048 0.000 1.142 523 T CB -0.280 68.534 68.868 -0.090 0.000 0.866 523 T HN 0.659 nan 8.240 nan 0.000 0.444 524 Q N -0.219 119.563 119.800 -0.031 0.000 2.014 524 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 524 Q C 1.979 178.138 176.000 0.264 0.000 0.993 524 Q CA 1.786 57.652 55.803 0.105 0.000 0.850 524 Q CB -0.253 28.454 28.738 -0.052 0.000 0.916 524 Q HN 0.463 nan 8.270 nan 0.000 0.417 525 F N 1.113 121.226 119.950 0.272 0.000 2.146 525 F HA -0.103 4.424 4.527 0.000 0.000 0.298 525 F C 2.239 178.261 175.800 0.370 0.000 1.096 525 F CA 1.390 59.602 58.000 0.353 0.000 1.275 525 F CB -0.629 38.533 39.000 0.269 0.000 1.008 525 F HN 0.212 nan 8.300 nan 0.000 0.480 526 E N 0.080 120.524 120.200 0.407 0.000 2.038 526 E HA -0.220 4.130 4.350 0.000 0.000 0.195 526 E C 2.020 178.678 176.600 0.096 0.000 1.000 526 E CA 1.398 57.947 56.400 0.247 0.000 0.803 526 E CB -0.286 29.497 29.700 0.139 0.000 0.750 526 E HN 0.291 nan 8.360 nan 0.000 0.448 527 N N 0.154 118.809 118.700 -0.076 0.000 2.043 527 N HA -0.183 4.557 4.740 0.000 0.000 0.193 527 N C 1.454 176.773 175.510 -0.318 0.000 1.037 527 N CA 1.167 53.922 53.050 -0.492 0.000 0.851 527 N CB -0.530 37.285 38.487 -1.120 0.000 1.027 527 N HN 0.269 nan 8.380 nan 0.000 0.422 528 W N 0.113 121.393 121.300 -0.033 0.000 2.381 528 W HA -0.091 4.569 4.660 -0.000 0.000 0.301 528 W C 2.245 178.903 176.519 0.233 0.000 1.205 528 W CA 0.620 58.094 57.345 0.216 0.000 1.285 528 W CB -0.717 28.923 29.460 0.300 0.000 1.133 528 W HN 0.130 nan 8.180 nan 0.000 0.521 529 Y N 1.090 121.523 120.300 0.221 0.000 2.263 529 Y HA -0.138 4.412 4.550 0.000 0.000 0.292 529 Y C 2.483 178.333 175.900 -0.083 0.000 1.130 529 Y CA 1.848 59.903 58.100 -0.074 0.000 1.179 529 Y CB -0.565 37.466 38.460 -0.716 0.000 0.998 529 Y HN -0.165 nan 8.280 nan 0.000 0.532 530 K N 0.351 120.735 120.400 -0.027 0.000 2.097 530 K HA -0.251 4.069 4.320 0.000 0.000 0.206 530 K C 2.219 178.721 176.600 -0.163 0.000 1.049 530 K CA 1.761 57.985 56.287 -0.105 0.000 0.933 530 K CB -0.128 32.340 32.500 -0.055 0.000 0.717 530 K HN 0.220 nan 8.250 nan 0.000 0.442 531 K N -1.083 119.228 120.400 -0.148 0.000 2.103 531 K HA -0.123 4.197 4.320 0.000 0.000 0.204 531 K C 1.131 177.414 176.600 -0.529 0.000 1.052 531 K CA 1.335 57.424 56.287 -0.330 0.000 0.945 531 K CB 0.126 32.412 32.500 -0.355 0.000 0.722 531 K HN 0.155 nan 8.250 nan 0.000 0.443 532 Y N -0.199 120.060 120.300 -0.069 0.000 2.467 532 Y HA 0.204 4.754 4.550 -0.000 0.000 0.259 532 Y C -0.044 175.739 175.900 -0.196 0.000 1.084 532 Y CA -0.349 57.714 58.100 -0.061 0.000 1.275 532 Y CB 0.752 39.269 38.460 0.096 0.000 1.208 532 Y HN -0.025 nan 8.280 nan 0.000 0.511 533 Q N 0.792 120.359 119.800 -0.388 0.000 2.434 533 Q HA -0.257 4.083 4.340 0.000 0.000 0.299 533 Q C -0.620 175.224 176.000 -0.260 0.000 1.286 533 Q CA 0.950 56.284 55.803 -0.782 0.000 0.872 533 Q CB -1.474 26.986 28.738 -0.463 0.000 1.193 533 Q HN 0.429 nan 8.270 nan 0.000 0.466 534 K N 0.055 120.468 120.400 0.021 0.000 2.426 534 K HA 0.517 4.837 4.320 0.000 0.000 0.251 534 K C -2.561 174.281 176.600 0.404 0.000 0.941 534 K CA -2.187 54.234 56.287 0.223 0.000 0.808 534 K CB 1.913 34.514 32.500 0.169 0.000 1.265 534 K HN -0.208 nan 8.250 nan 0.000 0.432 535 P HA 0.097 nan 4.420 nan 0.000 0.269 535 P C -0.830 176.617 177.300 0.245 0.000 1.215 535 P CA 0.123 63.416 63.100 0.321 0.000 0.780 535 P CB 0.476 32.347 31.700 0.285 0.000 0.898 536 I N 2.252 122.945 120.570 0.205 0.000 2.509 536 I HA 0.410 4.580 4.170 0.000 0.000 0.293 536 I C -0.065 176.057 176.117 0.008 0.000 1.020 536 I CA -0.709 60.664 61.300 0.121 0.000 1.088 536 I CB 1.672 39.811 38.000 0.233 0.000 1.267 536 I HN 0.109 nan 8.210 nan 0.000 0.430 537 I N 4.641 125.172 120.570 -0.066 0.000 2.433 537 I HA 0.212 4.382 4.170 0.000 0.000 0.292 537 I C -0.224 175.870 176.117 -0.037 0.000 1.001 537 I CA -0.755 60.463 61.300 -0.137 0.000 1.119 537 I CB 1.856 39.662 38.000 -0.323 0.000 1.289 537 I HN 0.501 nan 8.210 nan 0.000 0.438 538 Q N 3.951 123.787 119.800 0.060 0.000 2.381 538 Q HA 0.102 4.442 4.340 0.000 0.000 0.243 538 Q C 0.731 176.783 176.000 0.087 0.000 1.154 538 Q CA -0.036 55.854 55.803 0.144 0.000 0.899 538 Q CB 0.640 29.542 28.738 0.273 0.000 1.396 538 Q HN 0.741 nan 8.270 nan 0.000 0.485 539 S N 2.086 117.801 115.700 0.024 0.000 2.501 539 S HA 0.143 4.613 4.470 0.000 0.000 0.220 539 S C -0.008 174.659 174.600 0.113 0.000 0.997 539 S CA 0.121 58.334 58.200 0.022 0.000 0.919 539 S CB 0.230 63.411 63.200 -0.032 0.000 0.778 539 S HN 0.621 nan 8.310 nan 0.000 0.523 540 E N -0.008 120.242 120.200 0.085 0.000 2.343 540 E HA 0.573 4.923 4.350 0.000 0.000 0.278 540 E C -1.751 174.717 176.600 -0.221 0.000 0.910 540 E CA -0.950 55.467 56.400 0.029 0.000 0.757 540 E CB 2.281 32.004 29.700 0.038 0.000 1.218 540 E HN 0.471 nan 8.360 nan 0.000 0.435 541 Y N -0.429 119.553 120.300 -0.530 0.000 2.641 541 Y HA 0.768 5.318 4.550 -0.000 0.000 0.333 541 Y C -0.353 175.240 175.900 -0.512 0.000 1.174 541 Y CA -0.401 57.117 58.100 -0.970 0.000 1.057 541 Y CB 1.281 39.023 38.460 -1.197 0.000 1.322 541 Y HN 0.747 nan 8.280 nan 0.000 0.457 542 G N 0.198 108.741 108.800 -0.429 0.000 2.345 542 G HA2 0.641 4.601 3.960 0.000 0.000 0.285 542 G HA3 0.641 4.601 3.960 0.000 0.000 0.285 542 G C -2.094 172.661 174.900 -0.242 0.000 1.297 542 G CA -0.163 44.778 45.100 -0.265 0.000 0.875 542 G HN 1.799 nan 8.290 nan 0.000 0.506 543 A N -0.558 121.991 122.820 -0.452 0.000 2.488 543 A HA 0.743 5.063 4.320 0.000 0.000 0.298 543 A C -0.584 176.372 177.584 -1.047 0.000 1.044 543 A CA -0.516 50.923 52.037 -0.997 0.000 0.693 543 A CB 1.528 20.297 19.000 -0.386 0.000 1.272 543 A HN 0.564 nan 8.150 nan 0.000 0.402 544 E N 1.261 120.425 120.200 -1.726 0.000 2.376 544 E HA 0.351 4.701 4.350 0.000 0.000 0.266 544 E C -0.621 175.692 176.600 -0.479 0.000 1.009 544 E CA 0.620 56.545 56.400 -0.792 0.000 0.902 544 E CB 0.756 30.185 29.700 -0.452 0.000 0.972 544 E HN 0.492 nan 8.360 nan 0.000 0.439 545 T N 3.583 118.018 114.554 -0.198 0.000 3.050 545 T HA 0.275 4.625 4.350 0.000 0.000 0.310 545 T C -0.072 174.578 174.700 -0.084 0.000 0.978 545 T CA -0.678 61.366 62.100 -0.093 0.000 1.013 545 T CB 0.576 69.378 68.868 -0.111 0.000 1.000 545 T HN 0.192 nan 8.240 nan 0.000 0.447 546 I N 2.935 123.427 120.570 -0.131 0.000 2.322 546 I HA 0.374 4.544 4.170 0.000 0.000 0.292 546 I C 1.147 177.169 176.117 -0.158 0.000 1.060 546 I CA -0.966 60.156 61.300 -0.297 0.000 1.309 546 I CB -0.204 37.261 38.000 -0.891 0.000 1.415 546 I HN 0.743 nan 8.210 nan 0.000 0.492 547 A N 4.892 127.666 122.820 -0.077 0.000 2.567 547 A HA 0.397 4.717 4.320 0.000 0.000 0.240 547 A C 1.391 179.021 177.584 0.077 0.000 1.053 547 A CA 0.851 52.883 52.037 -0.008 0.000 0.755 547 A CB -0.335 18.667 19.000 0.004 0.000 0.978 547 A HN 1.362 nan 8.150 nan 0.000 0.507 548 G N 1.208 110.044 108.800 0.060 0.000 2.234 548 G HA2 -0.200 3.760 3.960 0.000 0.000 0.235 548 G HA3 -0.200 3.760 3.960 0.000 0.000 0.235 548 G C -0.012 174.981 174.900 0.156 0.000 0.997 548 G CA 0.134 45.322 45.100 0.146 0.000 0.623 548 G HN 0.705 nan 8.290 nan 0.000 0.514 549 F N 3.298 123.143 119.950 -0.175 0.000 2.445 549 F HA 0.600 5.127 4.527 0.000 0.000 0.359 549 F C 0.846 176.494 175.800 -0.253 0.000 1.101 549 F CA -0.659 57.279 58.000 -0.103 0.000 1.177 549 F CB 0.651 39.642 39.000 -0.015 0.000 1.110 549 F HN 0.088 nan 8.300 nan 0.000 0.522 550 H N 2.804 121.958 119.070 0.140 0.000 2.717 550 H HA 0.483 5.039 4.556 0.000 0.000 0.366 550 H C -1.039 174.336 175.328 0.079 0.000 1.132 550 H CA -0.725 55.387 56.048 0.107 0.000 1.180 550 H CB 2.447 32.246 29.762 0.062 0.000 1.678 550 H HN 0.573 nan 8.280 nan 0.000 0.537 551 Q N 1.942 121.873 119.800 0.220 0.000 2.403 551 Q HA 0.251 4.591 4.340 0.000 0.000 0.267 551 Q C -2.121 173.962 176.000 0.138 0.000 0.991 551 Q CA -0.650 55.243 55.803 0.149 0.000 0.906 551 Q CB 2.764 31.578 28.738 0.127 0.000 1.422 551 Q HN 0.678 nan 8.270 nan 0.000 0.400 552 D N 3.032 123.492 120.400 0.099 0.000 2.649 552 D HA 0.551 5.191 4.640 0.000 0.000 0.249 552 D C -2.268 174.072 176.300 0.065 0.000 1.112 552 D CA -1.453 52.596 54.000 0.083 0.000 0.850 552 D CB 1.532 42.370 40.800 0.063 0.000 1.399 552 D HN 0.327 nan 8.370 nan 0.000 0.503 553 P HA 0.230 nan 4.420 nan 0.000 0.269 553 P C -2.557 174.813 177.300 0.116 0.000 1.217 553 P CA -0.974 62.173 63.100 0.079 0.000 0.783 553 P CB -0.093 31.646 31.700 0.065 0.000 0.898 554 P HA 0.184 nan 4.420 nan 0.000 0.275 554 P C -0.889 176.597 177.300 0.310 0.000 1.228 554 P CA 0.253 63.492 63.100 0.232 0.000 0.786 554 P CB 0.749 32.591 31.700 0.236 0.000 0.927 555 L N 2.286 123.677 121.223 0.281 0.000 2.354 555 L HA 0.469 4.809 4.340 0.000 0.000 0.264 555 L C 0.965 177.829 176.870 -0.010 0.000 1.008 555 L CA -1.384 53.549 54.840 0.155 0.000 0.819 555 L CB 1.568 43.693 42.059 0.111 0.000 1.339 555 L HN 0.291 nan 8.230 nan 0.000 0.420 556 M N 2.056 121.382 119.600 -0.457 0.000 2.219 556 M HA -0.072 4.408 4.480 0.000 0.000 0.340 556 M C 0.013 176.372 176.300 0.099 0.000 1.135 556 M CA 1.326 56.285 55.300 -0.569 0.000 0.976 556 M CB -0.183 31.997 32.600 -0.700 0.000 1.713 556 M HN 0.603 nan 8.290 nan 0.000 0.457 557 F N -2.167 117.871 119.950 0.147 0.000 2.398 557 F HA -0.248 4.279 4.527 0.000 0.000 0.484 557 F C 1.071 176.915 175.800 0.073 0.000 0.537 557 F CA 0.982 59.042 58.000 0.099 0.000 1.491 557 F CB -1.993 37.027 39.000 0.033 0.000 2.162 557 F HN 0.666 nan 8.300 nan 0.000 0.263 558 T N -1.646 113.080 114.554 0.287 0.000 2.899 558 T HA 0.363 4.713 4.350 0.000 0.000 0.284 558 T C 1.098 175.884 174.700 0.143 0.000 1.004 558 T CA -0.046 62.191 62.100 0.229 0.000 1.043 558 T CB 1.742 70.750 68.868 0.233 0.000 1.013 558 T HN 0.294 nan 8.240 nan 0.000 0.518 559 E N 0.626 120.845 120.200 0.032 0.000 2.150 559 E HA -0.147 4.203 4.350 0.000 0.000 0.193 559 E C 1.845 178.500 176.600 0.092 0.000 0.985 559 E CA 1.132 57.544 56.400 0.020 0.000 0.814 559 E CB -0.011 29.654 29.700 -0.058 0.000 0.752 559 E HN 0.717 nan 8.360 nan 0.000 0.466 560 E N 0.225 120.508 120.200 0.138 0.000 2.106 560 E HA -0.168 4.182 4.350 0.000 0.000 0.192 560 E C 1.636 178.326 176.600 0.150 0.000 0.984 560 E CA 0.743 57.232 56.400 0.148 0.000 0.806 560 E CB -0.312 29.490 29.700 0.170 0.000 0.750 560 E HN 0.319 nan 8.360 nan 0.000 0.458 561 Y N 1.261 121.614 120.300 0.089 0.000 2.200 561 Y HA -0.248 4.302 4.550 0.000 0.000 0.290 561 Y C 2.476 178.417 175.900 0.069 0.000 1.137 561 Y CA 2.022 60.181 58.100 0.100 0.000 1.163 561 Y CB -0.004 38.540 38.460 0.141 0.000 0.988 561 Y HN 0.054 nan 8.280 nan 0.000 0.518 562 Q N 0.344 120.260 119.800 0.194 0.000 2.061 562 Q HA -0.264 4.076 4.340 0.000 0.000 0.204 562 Q C 2.107 178.108 176.000 0.002 0.000 0.984 562 Q CA 2.211 58.049 55.803 0.058 0.000 0.846 562 Q CB -0.083 28.652 28.738 -0.004 0.000 0.902 562 Q HN 0.446 nan 8.270 nan 0.000 0.421 563 K N -0.343 120.068 120.400 0.018 0.000 2.032 563 K HA -0.122 4.198 4.320 0.000 0.000 0.209 563 K C 2.303 178.886 176.600 -0.029 0.000 1.048 563 K CA 1.697 57.990 56.287 0.010 0.000 0.927 563 K CB -0.097 32.428 32.500 0.043 0.000 0.712 563 K HN 0.082 nan 8.250 nan 0.000 0.441 564 S N 1.453 117.116 115.700 -0.061 0.000 2.368 564 S HA -0.107 4.363 4.470 0.000 0.000 0.224 564 S C 1.911 176.432 174.600 -0.131 0.000 1.029 564 S CA 0.904 59.041 58.200 -0.105 0.000 0.988 564 S CB -0.233 62.874 63.200 -0.154 0.000 0.838 564 S HN 0.248 nan 8.310 nan 0.000 0.462 565 L N 0.984 122.097 121.223 -0.184 0.000 2.042 565 L HA -0.137 4.203 4.340 0.000 0.000 0.210 565 L C 1.986 178.895 176.870 0.066 0.000 1.076 565 L CA 1.246 56.062 54.840 -0.039 0.000 0.749 565 L CB -0.272 41.795 42.059 0.013 0.000 0.893 565 L HN 0.205 nan 8.230 nan 0.000 0.432 566 L N 0.017 121.218 121.223 -0.036 0.000 2.017 566 L HA -0.238 4.102 4.340 0.000 0.000 0.208 566 L C 2.472 178.992 176.870 -0.584 0.000 1.073 566 L CA 1.823 56.530 54.840 -0.222 0.000 0.745 566 L CB -0.881 41.080 42.059 -0.162 0.000 0.894 566 L HN 0.298 nan 8.230 nan 0.000 0.432 567 E N -1.105 118.942 120.200 -0.254 0.000 2.070 567 E HA -0.268 4.082 4.350 0.000 0.000 0.197 567 E C 2.208 178.778 176.600 -0.051 0.000 1.004 567 E CA 1.208 57.548 56.400 -0.100 0.000 0.805 567 E CB -0.072 29.620 29.700 -0.013 0.000 0.744 567 E HN 0.467 nan 8.360 nan 0.000 0.451 568 Q N -0.318 119.459 119.800 -0.040 0.000 2.079 568 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 568 Q C 1.991 177.969 176.000 -0.037 0.000 0.974 568 Q CA 1.298 57.089 55.803 -0.021 0.000 0.840 568 Q CB -0.490 28.238 28.738 -0.017 0.000 0.898 568 Q HN 0.445 nan 8.270 nan 0.000 0.430 569 Y N 0.566 120.790 120.300 -0.126 0.000 2.165 569 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 569 Y C 2.316 178.185 175.900 -0.050 0.000 1.155 569 Y CA 1.768 59.769 58.100 -0.166 0.000 1.164 569 Y CB -0.386 37.798 38.460 -0.460 0.000 0.978 569 Y HN 0.415 nan 8.280 nan 0.000 0.513 570 H N -1.117 117.999 119.070 0.077 0.000 2.353 570 H HA -0.165 4.391 4.556 0.000 0.000 0.300 570 H C 2.173 177.520 175.328 0.031 0.000 1.090 570 H CA 1.166 57.249 56.048 0.059 0.000 1.327 570 H CB -0.257 29.550 29.762 0.075 0.000 1.383 570 H HN 0.267 nan 8.280 nan 0.000 0.508 571 L N -0.017 121.288 121.223 0.137 0.000 2.046 571 L HA -0.108 4.232 4.340 0.000 0.000 0.208 571 L C 2.872 179.766 176.870 0.040 0.000 1.077 571 L CA 1.030 55.907 54.840 0.062 0.000 0.747 571 L CB -0.492 41.586 42.059 0.033 0.000 0.896 571 L HN 0.367 nan 8.230 nan 0.000 0.432 572 G N -0.040 108.781 108.800 0.034 0.000 2.418 572 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 572 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 572 G C 1.631 176.615 174.900 0.140 0.000 1.158 572 G CA 0.534 45.671 45.100 0.062 0.000 0.771 572 G HN 0.217 nan 8.290 nan 0.000 0.545 573 L N 0.471 121.783 121.223 0.148 0.000 2.046 573 L HA -0.054 4.286 4.340 0.000 0.000 0.208 573 L C 2.484 179.336 176.870 -0.031 0.000 1.077 573 L CA 1.103 56.008 54.840 0.109 0.000 0.747 573 L CB -0.354 41.802 42.059 0.162 0.000 0.896 573 L HN 0.077 nan 8.230 nan 0.000 0.432 574 D N -0.422 119.967 120.400 -0.019 0.000 2.182 574 D HA -0.190 4.450 4.640 0.000 0.000 0.201 574 D C 2.251 178.485 176.300 -0.110 0.000 0.986 574 D CA 0.927 54.878 54.000 -0.081 0.000 0.847 574 D CB -0.132 40.641 40.800 -0.045 0.000 0.942 574 D HN 0.300 nan 8.370 nan 0.000 0.467 575 Q N -0.141 119.611 119.800 -0.080 0.000 2.369 575 Q HA -0.029 4.311 4.340 0.000 0.000 0.206 575 Q C 1.154 177.043 176.000 -0.185 0.000 0.963 575 Q CA 0.836 56.583 55.803 -0.093 0.000 0.894 575 Q CB 0.328 29.047 28.738 -0.032 0.000 0.965 575 Q HN 0.319 nan 8.270 nan 0.000 0.475 576 K N -0.359 119.862 120.400 -0.299 0.000 2.517 576 K HA 0.126 4.446 4.320 0.000 0.000 0.210 576 K C 1.414 177.693 176.600 -0.535 0.000 1.166 576 K CA 0.020 55.974 56.287 -0.555 0.000 1.030 576 K CB 0.844 32.812 32.500 -0.886 0.000 0.974 576 K HN 0.192 nan 8.250 nan 0.000 0.585 577 R N 0.740 121.020 120.500 -0.367 0.000 2.307 577 R HA 0.147 4.487 4.340 0.000 0.000 0.199 577 R C 0.937 177.044 176.300 -0.322 0.000 1.000 577 R CA 0.410 56.316 56.100 -0.324 0.000 1.023 577 R CB 0.073 30.124 30.300 -0.415 0.000 0.908 577 R HN -0.165 nan 8.270 nan 0.000 0.473 578 R N 0.634 120.970 120.500 -0.274 0.000 2.507 578 R HA 0.252 4.592 4.340 0.000 0.000 0.298 578 R C 0.246 176.450 176.300 -0.160 0.000 0.999 578 R CA 0.119 56.102 56.100 -0.196 0.000 1.082 578 R CB 0.598 30.799 30.300 -0.165 0.000 1.246 578 R HN 0.262 nan 8.270 nan 0.000 0.553 579 K N -0.517 119.743 120.400 -0.233 0.000 2.506 579 K HA 0.134 4.454 4.320 0.000 0.000 0.237 579 K C 0.585 177.092 176.600 -0.156 0.000 1.276 579 K CA 0.401 56.562 56.287 -0.210 0.000 0.753 579 K CB 0.396 32.702 32.500 -0.323 0.000 1.627 579 K HN 0.078 nan 8.250 nan 0.000 0.397 580 Y N -1.624 118.500 120.300 -0.293 0.000 2.666 580 Y HA 0.466 5.016 4.550 0.000 0.000 0.260 580 Y C -0.381 175.380 175.900 -0.231 0.000 1.089 580 Y CA -0.847 57.056 58.100 -0.328 0.000 1.246 580 Y CB 0.208 38.120 38.460 -0.913 0.000 1.353 580 Y HN -0.302 nan 8.280 nan 0.000 0.558 581 V N 3.345 123.011 119.914 -0.413 0.000 2.408 581 V HA 0.173 4.293 4.120 0.000 0.000 0.267 581 V C 1.034 177.151 176.094 0.038 0.000 1.047 581 V CA -0.075 62.071 62.300 -0.258 0.000 0.937 581 V CB 1.288 32.767 31.823 -0.574 0.000 0.999 581 V HN 0.391 nan 8.190 nan 0.000 0.472 582 V N 2.124 122.079 119.914 0.068 0.000 3.483 582 V HA 0.758 4.878 4.120 0.000 0.000 0.301 582 V C 0.604 176.559 176.094 -0.231 0.000 1.389 582 V CA 0.580 62.961 62.300 0.135 0.000 1.101 582 V CB 0.024 31.985 31.823 0.229 0.000 0.971 582 V HN 0.878 nan 8.190 nan 0.000 0.434 583 G N 0.639 109.163 108.800 -0.460 0.000 2.579 583 G HA2 0.614 4.574 3.960 0.000 0.000 0.292 583 G HA3 0.614 4.574 3.960 0.000 0.000 0.292 583 G C -1.723 172.929 174.900 -0.412 0.000 1.484 583 G CA -0.266 44.396 45.100 -0.730 0.000 0.813 583 G HN 0.585 nan 8.290 nan 0.000 0.515 584 E N 0.024 120.035 120.200 -0.316 0.000 2.290 584 E HA 0.645 4.995 4.350 0.000 0.000 0.274 584 E C -1.630 175.038 176.600 0.114 0.000 0.889 584 E CA -1.027 55.392 56.400 0.032 0.000 0.760 584 E CB 2.468 32.292 29.700 0.206 0.000 1.206 584 E HN 0.389 nan 8.360 nan 0.000 0.419 585 L N 4.078 125.421 121.223 0.200 0.000 2.404 585 L HA 0.486 4.826 4.340 0.000 0.000 0.272 585 L C -0.244 176.739 176.870 0.188 0.000 0.980 585 L CA -1.006 53.945 54.840 0.185 0.000 0.836 585 L CB 1.822 43.928 42.059 0.078 0.000 1.238 585 L HN 0.683 nan 8.230 nan 0.000 0.408 586 I N 3.217 123.852 120.570 0.109 0.000 2.556 586 I HA 0.040 4.210 4.170 0.000 0.000 0.284 586 I C -0.445 175.586 176.117 -0.144 0.000 1.114 586 I CA 0.067 61.190 61.300 -0.295 0.000 1.418 586 I CB 0.814 38.652 38.000 -0.270 0.000 1.394 586 I HN 0.671 nan 8.210 nan 0.000 0.552 587 W N 9.384 130.488 121.300 -0.327 0.000 2.342 587 W HA 0.284 4.944 4.660 -0.000 0.000 0.310 587 W C -0.948 175.508 176.519 -0.104 0.000 1.128 587 W CA -0.399 56.892 57.345 -0.090 0.000 1.322 587 W CB 0.918 30.421 29.460 0.071 0.000 1.251 587 W HN 0.592 nan 8.180 nan 0.000 0.439 588 N N 4.174 122.680 118.700 -0.324 0.000 2.455 588 N HA 0.131 4.871 4.740 0.000 0.000 0.278 588 N C 0.411 175.798 175.510 -0.205 0.000 1.291 588 N CA -0.570 52.121 53.050 -0.597 0.000 0.780 588 N CB 1.117 39.047 38.487 -0.928 0.000 1.520 588 N HN 0.334 nan 8.380 nan 0.000 0.486 589 F N 1.760 121.545 119.950 -0.276 0.000 2.063 589 F HA -0.013 4.514 4.527 0.000 0.000 0.298 589 F C 0.672 176.511 175.800 0.065 0.000 1.109 589 F CA 1.919 59.880 58.000 -0.066 0.000 1.212 589 F CB 0.039 38.937 39.000 -0.169 0.000 0.973 589 F HN 0.548 nan 8.300 nan 0.000 0.480 590 A N -0.458 122.411 122.820 0.082 0.000 2.572 590 A HA 0.403 4.723 4.320 0.000 0.000 0.295 590 A C -1.369 176.315 177.584 0.165 0.000 1.072 590 A CA -0.843 51.225 52.037 0.052 0.000 0.691 590 A CB 0.450 19.488 19.000 0.063 0.000 1.291 590 A HN 0.088 nan 8.150 nan 0.000 0.404 591 D N 1.148 121.596 120.400 0.081 0.000 2.533 591 D HA 0.413 5.053 4.640 0.000 0.000 0.236 591 D C -0.272 176.126 176.300 0.163 0.000 1.137 591 D CA 1.546 55.573 54.000 0.045 0.000 0.867 591 D CB -0.131 40.655 40.800 -0.022 0.000 1.170 591 D HN 0.476 nan 8.370 nan 0.000 0.474 592 F N -0.429 119.569 119.950 0.081 0.000 2.664 592 F HA 0.573 5.100 4.527 0.000 0.000 0.317 592 F C -0.742 175.133 175.800 0.126 0.000 1.108 592 F CA -1.691 56.369 58.000 0.100 0.000 0.957 592 F CB 0.960 40.023 39.000 0.106 0.000 1.365 592 F HN 0.077 nan 8.300 nan 0.000 0.475 593 M N 2.532 122.343 119.600 0.352 0.000 2.249 593 M HA 0.616 5.096 4.480 0.000 0.000 0.351 593 M C -0.305 176.180 176.300 0.309 0.000 1.180 593 M CA 0.127 55.547 55.300 0.200 0.000 1.127 593 M CB 1.149 33.860 32.600 0.184 0.000 1.546 593 M HN 0.958 nan 8.290 nan 0.000 0.461 594 T N 0.485 115.127 114.554 0.147 0.000 2.831 594 T HA 0.594 4.944 4.350 0.000 0.000 0.287 594 T C -0.309 174.497 174.700 0.177 0.000 1.070 594 T CA -1.116 61.128 62.100 0.240 0.000 1.010 594 T CB 0.882 69.850 68.868 0.167 0.000 1.264 594 T HN 0.570 nan 8.240 nan 0.000 0.532 595 E N 0.990 121.332 120.200 0.236 0.000 2.422 595 E HA 0.098 4.448 4.350 0.000 0.000 0.260 595 E C 0.063 176.696 176.600 0.055 0.000 1.108 595 E CA 0.064 56.575 56.400 0.183 0.000 0.943 595 E CB 0.425 30.173 29.700 0.081 0.000 0.961 595 E HN 0.563 nan 8.360 nan 0.000 0.443 596 Q N 0.606 120.423 119.800 0.028 0.000 2.332 596 Q HA 0.229 4.569 4.340 0.000 0.000 0.263 596 Q C -0.193 175.798 176.000 -0.014 0.000 0.979 596 Q CA 0.180 55.976 55.803 -0.011 0.000 0.885 596 Q CB 0.842 29.561 28.738 -0.031 0.000 1.218 596 Q HN 0.522 nan 8.270 nan 0.000 0.405 597 S N 0.682 116.375 115.700 -0.011 0.000 2.595 597 S HA 0.328 4.798 4.470 0.000 0.000 0.270 597 S C -2.622 171.976 174.600 -0.002 0.000 1.145 597 S CA -1.172 57.024 58.200 -0.007 0.000 0.825 597 S CB 1.002 64.200 63.200 -0.004 0.000 1.107 597 S HN 0.311 nan 8.310 nan 0.000 0.461 598 P HA 0.045 nan 4.420 nan 0.000 0.228 598 P C 1.138 178.445 177.300 0.013 0.000 1.151 598 P CA 1.428 64.526 63.100 -0.004 0.000 0.770 598 P CB -0.215 31.482 31.700 -0.005 0.000 0.786 599 T N -4.797 109.782 114.554 0.042 0.000 3.105 599 T HA 0.212 4.562 4.350 0.000 0.000 0.253 599 T C 0.745 175.519 174.700 0.123 0.000 1.047 599 T CA -0.294 61.864 62.100 0.098 0.000 0.944 599 T CB -0.061 68.878 68.868 0.119 0.000 1.016 599 T HN -0.175 nan 8.240 nan 0.000 0.544 600 R N 1.678 122.216 120.500 0.063 0.000 2.412 600 R HA 0.415 4.755 4.340 0.000 0.000 0.304 600 R C -1.244 175.055 176.300 -0.000 0.000 1.066 600 R CA -0.537 55.588 56.100 0.043 0.000 0.923 600 R CB 1.688 32.004 30.300 0.028 0.000 1.156 600 R HN 0.151 nan 8.270 nan 0.000 0.513 601 V N 5.206 125.117 119.914 -0.005 0.000 2.352 601 V HA 0.074 4.194 4.120 0.000 0.000 0.253 601 V C 1.503 177.557 176.094 -0.066 0.000 1.083 601 V CA -0.304 61.963 62.300 -0.056 0.000 0.993 601 V CB -0.239 31.526 31.823 -0.097 0.000 1.111 601 V HN 0.771 nan 8.190 nan 0.000 0.490 602 L N 4.726 125.908 121.223 -0.067 0.000 3.762 602 L HA -0.272 4.068 4.340 0.000 0.000 0.460 602 L C 0.961 177.782 176.870 -0.082 0.000 1.255 602 L CA 0.714 55.508 54.840 -0.076 0.000 0.783 602 L CB -1.429 40.586 42.059 -0.073 0.000 1.600 602 L HN 1.105 nan 8.230 nan 0.000 0.862 603 G N -0.553 108.199 108.800 -0.080 0.000 2.500 603 G HA2 -0.229 3.731 3.960 0.000 0.000 0.209 603 G HA3 -0.229 3.731 3.960 0.000 0.000 0.209 603 G C -0.599 174.198 174.900 -0.172 0.000 1.283 603 G CA 0.002 45.030 45.100 -0.119 0.000 0.960 603 G HN 0.399 nan 8.290 nan 0.000 0.528 604 N N 0.739 119.199 118.700 -0.400 0.000 2.419 604 N HA 0.349 5.089 4.740 0.000 0.000 0.264 604 N C 0.328 175.644 175.510 -0.322 0.000 1.031 604 N CA -0.334 52.469 53.050 -0.412 0.000 0.951 604 N CB 0.956 38.948 38.487 -0.824 0.000 1.101 604 N HN 0.464 nan 8.380 nan 0.000 0.488 605 K N 3.124 123.434 120.400 -0.150 0.000 2.576 605 K HA 0.152 4.472 4.320 0.000 0.000 0.209 605 K C 0.365 176.889 176.600 -0.126 0.000 1.049 605 K CA -0.083 56.134 56.287 -0.116 0.000 1.140 605 K CB 0.444 32.903 32.500 -0.068 0.000 0.871 605 K HN 0.532 nan 8.250 nan 0.000 0.479 606 K N 0.620 120.966 120.400 -0.089 0.000 2.487 606 K HA 0.041 4.361 4.320 0.000 0.000 0.192 606 K C 0.941 177.491 176.600 -0.084 0.000 1.027 606 K CA -0.112 56.124 56.287 -0.085 0.000 1.054 606 K CB 0.319 32.889 32.500 0.117 0.000 0.824 606 K HN 0.132 nan 8.250 nan 0.000 0.510 607 G N 1.769 110.523 108.800 -0.076 0.000 2.414 607 G HA2 0.008 3.968 3.960 0.000 0.000 0.236 607 G HA3 0.008 3.968 3.960 0.000 0.000 0.236 607 G C 0.942 175.733 174.900 -0.182 0.000 1.293 607 G CA -0.305 44.732 45.100 -0.105 0.000 0.869 607 G HN 0.318 nan 8.290 nan 0.000 0.556 608 I N -1.046 119.362 120.570 -0.270 0.000 3.059 608 I HA 0.351 4.521 4.170 0.000 0.000 0.270 608 I C 0.004 175.720 176.117 -0.667 0.000 1.238 608 I CA -0.070 60.972 61.300 -0.429 0.000 1.478 608 I CB -0.066 37.636 38.000 -0.497 0.000 1.097 608 I HN 0.148 nan 8.210 nan 0.000 0.455 609 F N 1.942 121.697 119.950 -0.325 0.000 2.507 609 F HA 0.445 4.972 4.527 -0.000 0.000 0.327 609 F C 1.182 176.845 175.800 -0.227 0.000 1.068 609 F CA -1.003 56.798 58.000 -0.332 0.000 0.965 609 F CB 1.428 40.084 39.000 -0.572 0.000 1.192 609 F HN -0.105 nan 8.300 nan 0.000 0.476 610 T N -1.590 112.982 114.554 0.030 0.000 2.748 610 T HA 0.135 4.485 4.350 0.000 0.000 0.304 610 T C 1.277 175.978 174.700 0.002 0.000 1.041 610 T CA -0.537 61.563 62.100 0.000 0.000 1.033 610 T CB 0.790 69.658 68.868 -0.001 0.000 0.995 610 T HN 0.752 nan 8.240 nan 0.000 0.536 611 R N 0.058 120.560 120.500 0.003 0.000 2.200 611 R HA -0.101 4.239 4.340 0.000 0.000 0.234 611 R C 1.717 178.010 176.300 -0.012 0.000 1.127 611 R CA 1.327 57.435 56.100 0.014 0.000 0.989 611 R CB -0.212 30.101 30.300 0.021 0.000 0.869 611 R HN 0.666 nan 8.270 nan 0.000 0.459 612 Q N -0.224 119.564 119.800 -0.021 0.000 2.322 612 Q HA 0.099 4.439 4.340 0.000 0.000 0.203 612 Q C -0.402 175.561 176.000 -0.061 0.000 0.923 612 Q CA 0.119 55.901 55.803 -0.035 0.000 0.949 612 Q CB 0.539 29.262 28.738 -0.024 0.000 1.039 612 Q HN 0.054 nan 8.270 nan 0.000 0.496 613 R N 0.224 120.675 120.500 -0.082 0.000 3.532 613 R HA -0.126 4.214 4.340 0.000 0.000 0.284 613 R C -1.083 175.127 176.300 -0.150 0.000 1.140 613 R CA 0.432 56.420 56.100 -0.187 0.000 0.768 613 R CB -1.894 28.280 30.300 -0.211 0.000 1.252 613 R HN 0.183 nan 8.270 nan 0.000 0.454 614 Q N 0.057 119.854 119.800 -0.005 0.000 2.345 614 Q HA 0.505 4.845 4.340 0.000 0.000 0.268 614 Q C -2.363 173.736 176.000 0.164 0.000 1.054 614 Q CA -2.187 53.647 55.803 0.051 0.000 0.835 614 Q CB 1.960 30.705 28.738 0.013 0.000 1.339 614 Q HN -0.048 nan 8.270 nan 0.000 0.447 615 P HA 0.153 nan 4.420 nan 0.000 0.276 615 P C -0.528 176.761 177.300 -0.017 0.000 1.235 615 P CA -0.160 62.868 63.100 -0.120 0.000 0.772 615 P CB 1.052 32.585 31.700 -0.278 0.000 0.871 616 K N 1.456 121.787 120.400 -0.115 0.000 2.180 616 K HA 0.175 4.495 4.320 0.000 0.000 0.251 616 K C 1.693 178.355 176.600 0.102 0.000 1.014 616 K CA -0.421 55.859 56.287 -0.011 0.000 0.913 616 K CB 0.116 32.569 32.500 -0.077 0.000 1.008 616 K HN 0.300 nan 8.250 nan 0.000 0.490 617 S N 0.965 116.761 115.700 0.160 0.000 2.383 617 S HA -0.216 4.254 4.470 0.000 0.000 0.229 617 S C 1.913 176.648 174.600 0.225 0.000 1.030 617 S CA 1.515 59.868 58.200 0.254 0.000 1.002 617 S CB -0.291 63.007 63.200 0.163 0.000 0.829 617 S HN 0.730 nan 8.310 nan 0.000 0.467 618 A N 1.384 124.250 122.820 0.077 0.000 2.024 618 A HA 0.073 4.393 4.320 0.000 0.000 0.220 618 A C 2.299 179.856 177.584 -0.046 0.000 1.164 618 A CA 1.587 53.634 52.037 0.018 0.000 0.643 618 A CB -0.893 18.081 19.000 -0.043 0.000 0.806 618 A HN 0.521 nan 8.150 nan 0.000 0.451 619 A N -0.772 121.961 122.820 -0.146 0.000 1.902 619 A HA -0.038 4.282 4.320 0.000 0.000 0.217 619 A C 1.906 179.353 177.584 -0.228 0.000 1.181 619 A CA 1.521 53.352 52.037 -0.343 0.000 0.623 619 A CB -0.773 17.833 19.000 -0.656 0.000 0.818 619 A HN 0.497 nan 8.150 nan 0.000 0.443 620 F N -0.854 119.099 119.950 0.005 0.000 2.171 620 F HA -0.122 4.405 4.527 0.000 0.000 0.300 620 F C 2.044 177.810 175.800 -0.056 0.000 1.090 620 F CA 1.199 59.197 58.000 -0.004 0.000 1.293 620 F CB -0.445 38.590 39.000 0.058 0.000 1.013 620 F HN 0.236 nan 8.300 nan 0.000 0.486 621 L N -0.273 121.036 121.223 0.143 0.000 1.994 621 L HA -0.166 4.174 4.340 0.000 0.000 0.208 621 L C 2.228 179.106 176.870 0.013 0.000 1.071 621 L CA 1.495 56.388 54.840 0.089 0.000 0.745 621 L CB -0.977 41.145 42.059 0.105 0.000 0.892 621 L HN 0.113 nan 8.230 nan 0.000 0.431 622 L N -0.311 120.871 121.223 -0.068 0.000 2.046 622 L HA -0.210 4.130 4.340 0.000 0.000 0.208 622 L C 2.778 179.397 176.870 -0.417 0.000 1.077 622 L CA 1.918 56.590 54.840 -0.281 0.000 0.747 622 L CB -0.654 41.179 42.059 -0.377 0.000 0.896 622 L HN 0.337 nan 8.230 nan 0.000 0.432 623 R N -0.639 119.694 120.500 -0.279 0.000 2.094 623 R HA -0.205 4.135 4.340 0.000 0.000 0.239 623 R C 2.138 178.457 176.300 0.032 0.000 1.137 623 R CA 1.840 57.840 56.100 -0.167 0.000 0.943 623 R CB -0.270 29.786 30.300 -0.407 0.000 0.850 623 R HN 0.349 nan 8.270 nan 0.000 0.433 624 E N 0.389 120.585 120.200 -0.007 0.000 2.097 624 E HA -0.267 4.083 4.350 0.000 0.000 0.196 624 E C 1.983 178.612 176.600 0.049 0.000 1.000 624 E CA 1.430 57.853 56.400 0.039 0.000 0.804 624 E CB -0.344 29.371 29.700 0.025 0.000 0.740 624 E HN 0.420 nan 8.360 nan 0.000 0.454 625 R N -0.281 120.210 120.500 -0.014 0.000 2.073 625 R HA -0.173 4.167 4.340 0.000 0.000 0.234 625 R C 2.284 178.608 176.300 0.040 0.000 1.134 625 R CA 1.285 57.366 56.100 -0.032 0.000 0.952 625 R CB -0.284 29.915 30.300 -0.169 0.000 0.850 625 R HN 0.126 nan 8.270 nan 0.000 0.433 626 Y N -0.542 119.645 120.300 -0.189 0.000 2.181 626 Y HA -0.213 4.337 4.550 0.000 0.000 0.288 626 Y C 2.011 177.614 175.900 -0.495 0.000 1.146 626 Y CA 0.658 58.512 58.100 -0.410 0.000 1.164 626 Y CB -0.984 37.312 38.460 -0.274 0.000 0.982 626 Y HN 0.188 nan 8.280 nan 0.000 0.515 627 W N 0.384 121.640 121.300 -0.072 0.000 2.381 627 W HA -0.121 4.539 4.660 0.000 0.000 0.301 627 W C 2.638 179.077 176.519 -0.133 0.000 1.205 627 W CA 1.693 58.972 57.345 -0.110 0.000 1.285 627 W CB -0.454 28.950 29.460 -0.094 0.000 1.133 627 W HN -0.099 nan 8.180 nan 0.000 0.521 628 K N 0.561 121.012 120.400 0.085 0.000 2.032 628 K HA -0.203 4.117 4.320 0.000 0.000 0.209 628 K C 1.782 178.330 176.600 -0.087 0.000 1.048 628 K CA 1.812 58.100 56.287 0.000 0.000 0.927 628 K CB -0.523 31.970 32.500 -0.011 0.000 0.712 628 K HN 0.119 nan 8.250 nan 0.000 0.441 629 I N 0.685 121.151 120.570 -0.173 0.000 2.226 629 I HA -0.261 3.909 4.170 0.000 0.000 0.245 629 I C 2.393 178.362 176.117 -0.247 0.000 1.100 629 I CA 1.131 62.280 61.300 -0.253 0.000 1.374 629 I CB -0.345 37.443 38.000 -0.353 0.000 1.057 629 I HN 0.261 nan 8.210 nan 0.000 0.413 630 A N 0.595 123.228 122.820 -0.311 0.000 1.972 630 A HA -0.243 4.077 4.320 0.000 0.000 0.219 630 A C 1.990 179.504 177.584 -0.116 0.000 1.169 630 A CA 2.128 54.037 52.037 -0.212 0.000 0.635 630 A CB -0.681 18.121 19.000 -0.330 0.000 0.810 630 A HN 0.452 nan 8.150 nan 0.000 0.446 631 N N -0.088 118.569 118.700 -0.072 0.000 2.467 631 N HA 0.013 4.753 4.740 0.000 0.000 0.184 631 N C 0.532 176.007 175.510 -0.058 0.000 1.106 631 N CA 0.185 53.213 53.050 -0.036 0.000 0.892 631 N CB -0.091 38.404 38.487 0.013 0.000 0.969 631 N HN 0.623 nan 8.380 nan 0.000 0.454 632 E N 0.000 120.151 120.200 -0.081 0.000 2.725 632 E HA 0.000 4.350 4.350 0.000 0.000 0.291 632 E CA 0.000 56.349 56.400 -0.085 0.000 0.976 632 E CB 0.000 29.633 29.700 -0.111 0.000 0.812 632 E HN 0.000 nan 8.360 nan 0.000 0.440