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 2ckf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSGDTTLVDT VNASQSRQVF WDRDVYDLEI ERIFSRAWLM LGHKSLLPKP DATA SEQUENCE GDFITTYMAE DKIILSHQSD GTFRAFINSC THRGNQICHA DSGNAKAFVC DATA SEQUENCE NYHGWVYGQD GSLVDVPLES RCYHNKLDKQ ELAAKSVRVE TYKGFIFGCH DATA SEQUENCE DPEAPSLEDY LGEFRFYLDT IWEGGGAGLE LLGPPMKSLL HCNWKVPVEN DATA SEQUENCE FVGDGYHVGW THAAALGQIG GPLAGLAGNR ADXXXXDLGL QFTTRHGHGF DATA SEQUENCE GVIDNAAAAI HRKGDGWNKY LEDTRGEVRR KFGADRERLY VGHWNGAIFP DATA SEQUENCE NCSFLYGTNT FKIWHPRGPH EIEVWTYTMV PSDADPATKS AIQREATRTF DATA SEQUENCE GTAGTLESDD GENMSSATYV NRGVITRDGM MNSTMGVGYE GPHPVYPGIV DATA SEQUENCE GISFIGETSY RGFYRFWKEM IDAPDWASVK ANDDNWDSVF TNRNFWNEKL DATA SEQUENCE NA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.006 0.000 1.302 2 S N -0.365 115.330 115.700 -0.008 0.000 2.461 2 S HA 0.273 4.743 4.470 -0.000 0.000 0.228 2 S C 1.612 176.203 174.600 -0.015 0.000 1.005 2 S CA 1.438 59.634 58.200 -0.007 0.000 0.942 2 S CB 0.303 63.504 63.200 0.001 0.000 0.776 2 S HN 0.803 nan 8.310 nan 0.000 0.514 3 G N 0.650 109.434 108.800 -0.027 0.000 2.232 3 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 3 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 3 G C -0.116 174.767 174.900 -0.028 0.000 0.996 3 G CA 0.174 45.254 45.100 -0.033 0.000 0.626 3 G HN 0.618 nan 8.290 nan 0.000 0.509 4 D N 0.769 121.160 120.400 -0.016 0.000 2.846 4 D HA 0.398 5.037 4.640 -0.000 0.000 0.279 4 D C 0.290 176.595 176.300 0.009 0.000 1.222 4 D CA 0.443 54.440 54.000 -0.005 0.000 0.769 4 D CB 0.148 40.946 40.800 -0.004 0.000 1.299 4 D HN 0.157 nan 8.370 nan 0.000 0.537 5 T N 0.025 114.590 114.554 0.018 0.000 2.905 5 T HA 0.037 4.387 4.350 -0.000 0.000 0.299 5 T C 1.680 176.415 174.700 0.059 0.000 1.024 5 T CA 0.885 63.015 62.100 0.049 0.000 1.151 5 T CB 0.595 69.515 68.868 0.088 0.000 0.987 5 T HN 0.354 nan 8.240 nan 0.000 0.535 6 T N 3.674 118.256 114.554 0.046 0.000 3.148 6 T HA 0.108 4.458 4.350 -0.000 0.000 0.253 6 T C 2.052 176.770 174.700 0.030 0.000 1.134 6 T CA 0.184 62.301 62.100 0.028 0.000 1.051 6 T CB -0.217 68.657 68.868 0.010 0.000 0.959 6 T HN 0.607 nan 8.240 nan 0.000 0.525 7 L N 0.543 121.813 121.223 0.077 0.000 2.191 7 L HA 0.096 4.436 4.340 -0.000 0.000 0.212 7 L C 0.571 177.436 176.870 -0.009 0.000 1.103 7 L CA 0.581 55.459 54.840 0.064 0.000 0.769 7 L CB -0.168 42.013 42.059 0.203 0.000 0.908 7 L HN 0.224 nan 8.230 nan 0.000 0.438 8 V N -0.550 119.401 119.914 0.062 0.000 2.588 8 V HA 0.259 4.379 4.120 -0.000 0.000 0.304 8 V C -0.962 175.138 176.094 0.009 0.000 1.042 8 V CA -0.829 61.473 62.300 0.003 0.000 0.877 8 V CB 2.157 34.061 31.823 0.134 0.000 0.996 8 V HN -0.050 nan 8.190 nan 0.000 0.425 9 D N 2.906 123.281 120.400 -0.041 0.000 2.392 9 D HA 0.271 4.911 4.640 -0.000 0.000 0.228 9 D C 1.047 177.322 176.300 -0.041 0.000 1.074 9 D CA -0.058 53.918 54.000 -0.039 0.000 0.838 9 D CB 2.031 42.795 40.800 -0.061 0.000 1.067 9 D HN 0.664 nan 8.370 nan 0.000 0.511 10 T N -0.015 114.519 114.554 -0.033 0.000 3.065 10 T HA 0.024 4.374 4.350 -0.000 0.000 0.252 10 T C 1.765 176.400 174.700 -0.109 0.000 1.099 10 T CA 0.241 62.305 62.100 -0.060 0.000 1.063 10 T CB 0.126 68.966 68.868 -0.047 0.000 0.948 10 T HN 0.151 nan 8.240 nan 0.000 0.506 11 V N 2.670 122.533 119.914 -0.085 0.000 2.346 11 V HA -0.013 4.107 4.120 -0.000 0.000 0.244 11 V C 2.032 178.072 176.094 -0.090 0.000 1.037 11 V CA 1.365 63.611 62.300 -0.091 0.000 1.029 11 V CB -0.436 31.346 31.823 -0.068 0.000 0.663 11 V HN 0.537 nan 8.190 nan 0.000 0.454 12 N N 0.016 118.669 118.700 -0.079 0.000 2.230 12 N HA 0.296 5.036 4.740 -0.000 0.000 0.202 12 N C 0.793 176.254 175.510 -0.082 0.000 1.119 12 N CA 0.772 53.776 53.050 -0.077 0.000 0.851 12 N CB 0.732 39.177 38.487 -0.070 0.000 0.990 12 N HN 0.419 nan 8.380 nan 0.000 0.497 13 A N 1.111 123.881 122.820 -0.083 0.000 2.416 13 A HA -0.142 4.178 4.320 -0.000 0.000 0.293 13 A C 0.273 177.801 177.584 -0.092 0.000 1.452 13 A CA 0.773 52.768 52.037 -0.070 0.000 0.738 13 A CB -2.070 16.894 19.000 -0.061 0.000 1.123 13 A HN 0.449 nan 8.150 nan 0.000 0.389 14 S N -1.121 114.510 115.700 -0.115 0.000 2.579 14 S HA 0.864 5.334 4.470 -0.000 0.000 0.272 14 S C -1.054 173.409 174.600 -0.228 0.000 1.141 14 S CA -0.748 57.352 58.200 -0.167 0.000 0.843 14 S CB 1.901 65.016 63.200 -0.141 0.000 1.122 14 S HN 0.909 nan 8.310 nan 0.000 0.468 15 Q N 0.665 120.267 119.800 -0.329 0.000 2.389 15 Q HA 0.687 5.027 4.340 -0.000 0.000 0.277 15 Q C -0.799 174.972 176.000 -0.381 0.000 1.082 15 Q CA -0.610 54.932 55.803 -0.434 0.000 0.810 15 Q CB 2.007 30.263 28.738 -0.804 0.000 1.374 15 Q HN 0.777 nan 8.270 nan 0.000 0.422 16 S N 0.543 116.055 115.700 -0.312 0.000 2.549 16 S HA 0.148 4.618 4.470 -0.000 0.000 0.279 16 S C 0.642 175.053 174.600 -0.316 0.000 1.321 16 S CA -0.169 57.890 58.200 -0.235 0.000 1.054 16 S CB 0.502 63.623 63.200 -0.132 0.000 0.899 16 S HN 0.647 nan 8.310 nan 0.000 0.497 17 R N 2.582 122.926 120.500 -0.261 0.000 2.211 17 R HA -0.153 4.187 4.340 -0.000 0.000 0.240 17 R C 2.269 178.500 176.300 -0.116 0.000 1.144 17 R CA 1.841 57.788 56.100 -0.255 0.000 0.992 17 R CB -0.227 29.980 30.300 -0.154 0.000 0.869 17 R HN 0.741 nan 8.270 nan 0.000 0.462 18 Q N 0.149 119.921 119.800 -0.047 0.000 2.181 18 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 18 Q C 2.252 178.328 176.000 0.126 0.000 0.980 18 Q CA 1.782 57.642 55.803 0.094 0.000 0.862 18 Q CB -0.220 28.573 28.738 0.092 0.000 0.905 18 Q HN 0.421 nan 8.270 nan 0.000 0.429 19 V N -2.453 117.439 119.914 -0.038 0.000 2.594 19 V HA -0.187 3.933 4.120 -0.000 0.000 0.253 19 V C 1.603 177.824 176.094 0.211 0.000 1.069 19 V CA 1.525 63.814 62.300 -0.020 0.000 1.082 19 V CB -0.795 30.788 31.823 -0.401 0.000 0.680 19 V HN 0.308 nan 8.190 nan 0.000 0.469 20 F N -1.867 118.115 119.950 0.054 0.000 2.789 20 F HA 0.186 4.713 4.527 -0.000 0.000 0.300 20 F C 1.974 177.930 175.800 0.260 0.000 1.132 20 F CA 0.427 58.486 58.000 0.099 0.000 1.404 20 F CB 0.266 39.309 39.000 0.071 0.000 1.114 20 F HN 0.374 nan 8.300 nan 0.000 0.584 21 W N 0.259 121.710 121.300 0.251 0.000 4.359 21 W HA 0.060 4.720 4.660 0.000 0.000 0.200 21 W C 0.181 176.857 176.519 0.261 0.000 1.068 21 W CA 0.072 57.571 57.345 0.256 0.000 1.787 21 W CB -0.134 29.396 29.460 0.116 0.000 0.717 21 W HN -0.370 nan 8.180 nan 0.000 0.930 22 D N 2.410 122.975 120.400 0.275 0.000 2.417 22 D HA -0.026 4.614 4.640 -0.000 0.000 0.250 22 D C 1.174 177.522 176.300 0.079 0.000 1.166 22 D CA 0.327 54.432 54.000 0.175 0.000 0.881 22 D CB 1.843 42.779 40.800 0.226 0.000 1.164 22 D HN -0.091 nan 8.370 nan 0.000 0.467 23 R N 3.295 123.790 120.500 -0.009 0.000 2.075 23 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 23 R C 1.221 177.597 176.300 0.127 0.000 1.126 23 R CA 1.567 57.666 56.100 -0.002 0.000 0.963 23 R CB -0.165 30.097 30.300 -0.063 0.000 0.858 23 R HN 0.471 nan 8.270 nan 0.000 0.435 24 D N -0.466 120.001 120.400 0.112 0.000 2.123 24 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 24 D C 1.878 178.266 176.300 0.145 0.000 0.992 24 D CA 1.549 55.617 54.000 0.113 0.000 0.833 24 D CB -0.176 40.679 40.800 0.092 0.000 0.954 24 D HN 0.110 nan 8.370 nan 0.000 0.455 25 V N 0.574 120.606 119.914 0.197 0.000 2.295 25 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 25 V C 2.225 178.503 176.094 0.307 0.000 1.049 25 V CA 1.537 63.997 62.300 0.266 0.000 1.024 25 V CB -0.737 31.297 31.823 0.353 0.000 0.648 25 V HN 0.204 nan 8.190 nan 0.000 0.447 26 Y N 1.394 121.820 120.300 0.210 0.000 2.145 26 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 26 Y C 2.439 178.436 175.900 0.163 0.000 1.145 26 Y CA 2.125 60.364 58.100 0.233 0.000 1.148 26 Y CB -0.328 38.203 38.460 0.119 0.000 0.981 26 Y HN 0.301 nan 8.280 nan 0.000 0.507 27 D N 0.182 120.661 120.400 0.132 0.000 2.149 27 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 27 D C 2.095 178.365 176.300 -0.050 0.000 0.990 27 D CA 1.274 55.280 54.000 0.010 0.000 0.839 27 D CB -0.341 40.507 40.800 0.080 0.000 0.948 27 D HN 0.379 nan 8.370 nan 0.000 0.460 28 L N 1.334 122.551 121.223 -0.010 0.000 2.093 28 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 28 L C 2.011 178.820 176.870 -0.103 0.000 1.085 28 L CA 1.543 56.349 54.840 -0.057 0.000 0.755 28 L CB -0.352 41.678 42.059 -0.049 0.000 0.904 28 L HN -0.057 nan 8.230 nan 0.000 0.435 29 E N -0.539 119.631 120.200 -0.050 0.000 2.058 29 E HA -0.257 4.092 4.350 -0.000 0.000 0.194 29 E C 2.192 178.777 176.600 -0.025 0.000 0.997 29 E CA 1.409 57.794 56.400 -0.024 0.000 0.801 29 E CB -0.139 29.727 29.700 0.278 0.000 0.746 29 E HN 0.387 nan 8.360 nan 0.000 0.450 30 I N 1.254 121.760 120.570 -0.107 0.000 2.163 30 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 30 I C 2.502 178.600 176.117 -0.032 0.000 1.085 30 I CA 1.528 62.793 61.300 -0.059 0.000 1.347 30 I CB -0.912 36.938 38.000 -0.250 0.000 1.044 30 I HN 0.223 nan 8.210 nan 0.000 0.408 31 E N 0.815 120.968 120.200 -0.079 0.000 2.047 31 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 31 E C 2.169 178.699 176.600 -0.116 0.000 0.987 31 E CA 1.045 57.397 56.400 -0.081 0.000 0.799 31 E CB 0.147 29.798 29.700 -0.082 0.000 0.752 31 E HN 0.380 nan 8.360 nan 0.000 0.449 32 R N -0.755 119.641 120.500 -0.173 0.000 2.308 32 R HA 0.241 4.581 4.340 -0.000 0.000 0.202 32 R C 1.746 177.852 176.300 -0.323 0.000 0.898 32 R CA 0.079 56.023 56.100 -0.259 0.000 1.046 32 R CB 0.601 30.720 30.300 -0.301 0.000 1.026 32 R HN 0.270 nan 8.270 nan 0.000 0.512 33 I N -1.255 119.140 120.570 -0.292 0.000 3.393 33 I HA 0.021 4.191 4.170 -0.000 0.000 0.250 33 I C 1.196 177.114 176.117 -0.333 0.000 1.122 33 I CA 0.387 61.465 61.300 -0.369 0.000 1.484 33 I CB -0.058 37.618 38.000 -0.540 0.000 1.468 33 I HN -0.085 nan 8.210 nan 0.000 0.461 34 F N 1.005 120.860 119.950 -0.159 0.000 2.325 34 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 34 F C 2.388 178.169 175.800 -0.033 0.000 1.090 34 F CA 0.915 58.836 58.000 -0.132 0.000 1.392 34 F CB -0.191 38.683 39.000 -0.211 0.000 1.053 34 F HN -0.050 nan 8.300 nan 0.000 0.521 35 S N -0.664 115.105 115.700 0.115 0.000 2.593 35 S HA 0.032 4.502 4.470 -0.000 0.000 0.217 35 S C 1.846 176.489 174.600 0.072 0.000 0.966 35 S CA 0.045 58.320 58.200 0.126 0.000 0.914 35 S CB -0.027 63.192 63.200 0.031 0.000 0.776 35 S HN 0.379 nan 8.310 nan 0.000 0.523 36 R N 0.571 121.078 120.500 0.012 0.000 2.412 36 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 36 R C 0.591 176.985 176.300 0.156 0.000 0.878 36 R CA 0.309 56.448 56.100 0.065 0.000 1.022 36 R CB 0.178 30.411 30.300 -0.111 0.000 1.265 36 R HN 0.251 nan 8.270 nan 0.000 0.620 37 A N 0.565 123.399 122.820 0.023 0.000 2.252 37 A HA 0.416 4.736 4.320 -0.000 0.000 0.305 37 A C -1.331 176.050 177.584 -0.339 0.000 1.097 37 A CA -0.653 51.375 52.037 -0.015 0.000 0.849 37 A CB 0.063 19.181 19.000 0.197 0.000 1.142 37 A HN 0.324 nan 8.150 nan 0.000 0.499 38 W N 0.449 121.416 121.300 -0.555 0.000 2.311 38 W HA 0.509 5.169 4.660 -0.000 0.000 0.310 38 W C -0.335 176.303 176.519 0.199 0.000 1.274 38 W CA 0.222 57.431 57.345 -0.226 0.000 1.215 38 W CB 0.616 29.832 29.460 -0.407 0.000 1.227 38 W HN 0.347 nan 8.180 nan 0.000 0.523 39 L N 4.883 126.364 121.223 0.430 0.000 2.334 39 L HA 0.430 4.770 4.340 -0.000 0.000 0.276 39 L C 0.198 177.250 176.870 0.304 0.000 1.014 39 L CA -1.520 53.541 54.840 0.369 0.000 0.815 39 L CB 1.304 43.483 42.059 0.200 0.000 1.268 39 L HN 0.278 nan 8.230 nan 0.000 0.428 40 M N 2.870 122.532 119.600 0.104 0.000 2.268 40 M HA 0.125 4.605 4.480 -0.000 0.000 0.349 40 M C 0.097 176.374 176.300 -0.039 0.000 1.485 40 M CA 0.756 55.932 55.300 -0.207 0.000 1.094 40 M CB 0.228 32.780 32.600 -0.080 0.000 1.843 40 M HN 0.542 nan 8.290 nan 0.000 0.460 41 L N 3.768 124.941 121.223 -0.083 0.000 2.425 41 L HA 0.535 4.875 4.340 -0.000 0.000 0.215 41 L C 1.266 178.111 176.870 -0.041 0.000 1.065 41 L CA 0.240 55.066 54.840 -0.025 0.000 0.842 41 L CB -0.385 41.666 42.059 -0.013 0.000 1.033 41 L HN 0.948 nan 8.230 nan 0.000 0.474 42 G N -1.648 107.075 108.800 -0.128 0.000 2.439 42 G HA2 0.056 4.016 3.960 -0.000 0.000 0.186 42 G HA3 0.056 4.016 3.960 -0.000 0.000 0.186 42 G C -1.767 172.913 174.900 -0.365 0.000 1.260 42 G CA -0.603 44.347 45.100 -0.251 0.000 1.020 42 G HN 0.046 nan 8.290 nan 0.000 0.470 43 H N 0.434 119.163 119.070 -0.569 0.000 2.930 43 H HA 0.426 4.982 4.556 -0.000 0.000 0.371 43 H C 0.906 175.892 175.328 -0.571 0.000 1.169 43 H CA -0.415 55.191 56.048 -0.737 0.000 1.157 43 H CB 2.181 31.322 29.762 -1.034 0.000 1.789 43 H HN 0.501 nan 8.280 nan 0.000 0.547 44 K N 0.764 120.723 120.400 -0.735 0.000 2.173 44 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 44 K C 1.805 178.355 176.600 -0.084 0.000 1.046 44 K CA 1.963 57.964 56.287 -0.477 0.000 0.929 44 K CB 0.069 32.252 32.500 -0.529 0.000 0.720 44 K HN 0.546 nan 8.250 nan 0.000 0.453 45 S N 1.052 116.789 115.700 0.063 0.000 2.440 45 S HA -0.103 4.367 4.470 -0.000 0.000 0.238 45 S C 1.799 176.343 174.600 -0.094 0.000 1.010 45 S CA 0.901 59.056 58.200 -0.074 0.000 0.972 45 S CB -0.390 62.638 63.200 -0.287 0.000 0.774 45 S HN 0.243 nan 8.310 nan 0.000 0.501 46 L N 0.484 121.641 121.223 -0.109 0.000 2.509 46 L HA 0.343 4.683 4.340 -0.000 0.000 0.222 46 L C 0.626 177.493 176.870 -0.005 0.000 1.123 46 L CA 0.331 55.127 54.840 -0.074 0.000 0.856 46 L CB -0.268 41.730 42.059 -0.102 0.000 0.985 46 L HN 0.455 nan 8.230 nan 0.000 0.456 47 L N -4.311 116.947 121.223 0.059 0.000 2.481 47 L HA 0.365 4.705 4.340 -0.000 0.000 0.263 47 L C -2.319 174.758 176.870 0.346 0.000 1.537 47 L CA -0.945 53.997 54.840 0.169 0.000 0.741 47 L CB 0.563 42.762 42.059 0.233 0.000 0.974 47 L HN -0.272 nan 8.230 nan 0.000 0.519 48 P HA 0.008 nan 4.420 nan 0.000 0.231 48 P C -0.016 177.439 177.300 0.259 0.000 1.168 48 P CA 0.863 64.121 63.100 0.263 0.000 0.779 48 P CB 0.466 32.224 31.700 0.097 0.000 0.844 49 K N 0.154 120.565 120.400 0.018 0.000 2.318 49 K HA 0.484 4.804 4.320 -0.000 0.000 0.249 49 K C -2.778 173.346 176.600 -0.794 0.000 0.942 49 K CA -2.992 53.096 56.287 -0.333 0.000 0.808 49 K CB 1.239 33.648 32.500 -0.151 0.000 1.189 49 K HN -0.248 nan 8.250 nan 0.000 0.428 50 P HA -0.146 nan 4.420 nan 0.000 0.261 50 P C 0.615 177.771 177.300 -0.240 0.000 1.173 50 P CA 1.460 64.196 63.100 -0.607 0.000 0.760 50 P CB 0.348 31.874 31.700 -0.289 0.000 0.783 51 G N 2.079 110.838 108.800 -0.068 0.000 2.253 51 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.251 51 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.251 51 G C 0.066 175.072 174.900 0.177 0.000 0.998 51 G CA -0.176 44.965 45.100 0.068 0.000 0.621 51 G HN 0.500 nan 8.290 nan 0.000 0.524 52 D N 0.680 121.147 120.400 0.112 0.000 2.399 52 D HA 0.558 5.198 4.640 -0.000 0.000 0.241 52 D C 0.485 176.975 176.300 0.316 0.000 1.133 52 D CA 0.907 54.988 54.000 0.136 0.000 0.890 52 D CB 0.508 41.355 40.800 0.078 0.000 1.201 52 D HN 0.612 nan 8.370 nan 0.000 0.432 53 F N -0.466 119.601 119.950 0.196 0.000 2.662 53 F HA 0.662 5.189 4.527 -0.000 0.000 0.312 53 F C -1.116 174.776 175.800 0.153 0.000 1.113 53 F CA -1.268 56.861 58.000 0.216 0.000 0.951 53 F CB 0.998 40.204 39.000 0.343 0.000 1.344 53 F HN 0.260 nan 8.300 nan 0.000 0.462 54 I N -0.265 120.491 120.570 0.309 0.000 2.934 54 I HA 0.829 4.999 4.170 -0.000 0.000 0.306 54 I C -0.888 175.411 176.117 0.303 0.000 1.110 54 I CA -1.018 60.421 61.300 0.231 0.000 1.019 54 I CB 2.564 40.661 38.000 0.162 0.000 1.227 54 I HN 0.810 nan 8.210 nan 0.000 0.434 55 T N 0.391 115.103 114.554 0.262 0.000 2.867 55 T HA 0.704 5.054 4.350 -0.000 0.000 0.282 55 T C -0.209 174.581 174.700 0.150 0.000 1.000 55 T CA -0.583 61.580 62.100 0.106 0.000 1.042 55 T CB 1.827 70.738 68.868 0.070 0.000 0.973 55 T HN 0.905 nan 8.240 nan 0.000 0.465 56 T N 0.439 114.940 114.554 -0.088 0.000 2.731 56 T HA 0.551 4.901 4.350 -0.000 0.000 0.300 56 T C -1.831 172.530 174.700 -0.565 0.000 1.283 56 T CA -0.713 61.214 62.100 -0.289 0.000 1.005 56 T CB 0.938 69.700 68.868 -0.178 0.000 1.420 56 T HN 0.592 nan 8.240 nan 0.000 0.503 57 Y N 0.938 120.805 120.300 -0.720 0.000 2.419 57 Y HA 0.673 5.223 4.550 0.000 0.000 0.328 57 Y C 0.449 176.120 175.900 -0.381 0.000 1.162 57 Y CA -0.835 56.888 58.100 -0.628 0.000 1.174 57 Y CB 1.667 39.464 38.460 -1.104 0.000 1.228 57 Y HN 0.362 nan 8.280 nan 0.000 0.473 58 M N 3.370 122.967 119.600 -0.004 0.000 2.023 58 M HA 0.471 4.951 4.480 -0.000 0.000 0.325 58 M C 0.336 176.668 176.300 0.054 0.000 0.963 58 M CA -0.256 55.082 55.300 0.064 0.000 0.928 58 M CB 1.147 33.801 32.600 0.089 0.000 1.429 58 M HN 1.011 nan 8.290 nan 0.000 0.404 59 A N 2.508 125.306 122.820 -0.037 0.000 5.150 59 A HA -0.264 4.056 4.320 -0.000 0.000 0.324 59 A C 0.999 178.454 177.584 -0.215 0.000 1.862 59 A CA 1.895 53.749 52.037 -0.304 0.000 0.710 59 A CB -0.888 17.785 19.000 -0.545 0.000 1.367 59 A HN 0.792 nan 8.150 nan 0.000 0.380 60 E N 0.974 121.087 120.200 -0.146 0.000 2.474 60 E HA 0.138 4.488 4.350 -0.000 0.000 0.195 60 E C -0.694 175.962 176.600 0.093 0.000 1.039 60 E CA 0.151 56.518 56.400 -0.056 0.000 0.881 60 E CB 0.112 29.784 29.700 -0.046 0.000 0.970 60 E HN 0.604 nan 8.360 nan 0.000 0.486 61 D N 2.186 122.644 120.400 0.096 0.000 2.249 61 D HA 0.137 4.777 4.640 -0.000 0.000 0.246 61 D C -0.159 176.160 176.300 0.031 0.000 1.114 61 D CA -0.070 53.968 54.000 0.062 0.000 0.854 61 D CB 1.350 42.164 40.800 0.023 0.000 1.132 61 D HN -0.123 nan 8.370 nan 0.000 0.461 62 K N 2.297 122.635 120.400 -0.104 0.000 2.322 62 K HA 0.365 4.685 4.320 -0.000 0.000 0.283 62 K C 0.351 176.790 176.600 -0.269 0.000 1.042 62 K CA -0.193 55.886 56.287 -0.346 0.000 0.958 62 K CB 1.032 33.318 32.500 -0.357 0.000 0.984 62 K HN 0.471 nan 8.250 nan 0.000 0.473 63 I N -0.776 119.604 120.570 -0.318 0.000 3.002 63 I HA 0.551 4.721 4.170 -0.000 0.000 0.310 63 I C -0.784 175.084 176.117 -0.415 0.000 1.087 63 I CA -1.251 59.858 61.300 -0.318 0.000 1.017 63 I CB 1.562 39.435 38.000 -0.211 0.000 1.226 63 I HN 0.391 nan 8.210 nan 0.000 0.443 64 I N 3.830 124.001 120.570 -0.665 0.000 2.404 64 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 64 I C -1.145 174.625 176.117 -0.578 0.000 0.992 64 I CA -0.747 60.099 61.300 -0.756 0.000 1.149 64 I CB 1.957 39.093 38.000 -1.440 0.000 1.315 64 I HN 0.441 nan 8.210 nan 0.000 0.446 65 L N 6.429 127.525 121.223 -0.212 0.000 2.349 65 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 65 L C -0.618 176.349 176.870 0.162 0.000 0.996 65 L CA 0.200 55.032 54.840 -0.014 0.000 0.825 65 L CB 1.679 43.766 42.059 0.046 0.000 1.243 65 L HN 0.548 nan 8.230 nan 0.000 0.412 66 S N 3.218 119.056 115.700 0.229 0.000 2.538 66 S HA 0.417 4.887 4.470 -0.000 0.000 0.288 66 S C -1.211 173.566 174.600 0.294 0.000 1.108 66 S CA -0.596 57.813 58.200 0.349 0.000 0.971 66 S CB 0.566 64.007 63.200 0.401 0.000 1.041 66 S HN 0.743 nan 8.310 nan 0.000 0.483 67 H N 4.799 123.951 119.070 0.137 0.000 2.934 67 H HA 0.293 4.849 4.556 -0.000 0.000 0.273 67 H C 0.049 175.284 175.328 -0.155 0.000 1.121 67 H CA -0.082 55.833 56.048 -0.222 0.000 1.451 67 H CB 0.316 30.026 29.762 -0.087 0.000 1.469 67 H HN 0.602 nan 8.280 nan 0.000 0.476 68 Q N 2.889 122.691 119.800 0.002 0.000 2.454 68 Q HA 0.012 4.352 4.340 -0.000 0.000 0.247 68 Q C 1.499 177.526 176.000 0.046 0.000 1.028 68 Q CA -0.101 55.726 55.803 0.040 0.000 0.910 68 Q CB 0.654 29.388 28.738 -0.007 0.000 1.276 68 Q HN 0.642 nan 8.270 nan 0.000 0.489 69 S N 1.521 117.231 115.700 0.018 0.000 2.380 69 S HA -0.223 4.247 4.470 -0.000 0.000 0.229 69 S C 1.124 175.722 174.600 -0.004 0.000 1.043 69 S CA 1.972 60.168 58.200 -0.007 0.000 1.038 69 S CB -0.304 62.892 63.200 -0.007 0.000 0.872 69 S HN 0.763 nan 8.310 nan 0.000 0.456 70 D N 0.332 120.730 120.400 -0.004 0.000 2.378 70 D HA 0.162 4.802 4.640 -0.000 0.000 0.222 70 D C 1.280 177.573 176.300 -0.011 0.000 0.980 70 D CA 0.873 54.870 54.000 -0.006 0.000 0.907 70 D CB -0.757 40.039 40.800 -0.007 0.000 0.899 70 D HN 0.475 nan 8.370 nan 0.000 0.527 71 G N -0.453 108.338 108.800 -0.016 0.000 2.175 71 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.244 71 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.244 71 G C 0.510 175.179 174.900 -0.386 0.000 0.982 71 G CA 0.530 45.596 45.100 -0.057 0.000 0.641 71 G HN 0.817 nan 8.290 nan 0.000 0.527 72 T N -1.529 112.849 114.554 -0.294 0.000 2.824 72 T HA 0.739 5.089 4.350 -0.000 0.000 0.277 72 T C -0.120 174.255 174.700 -0.542 0.000 0.975 72 T CA -0.560 61.390 62.100 -0.250 0.000 0.966 72 T CB 1.591 70.439 68.868 -0.034 0.000 1.054 72 T HN 0.418 nan 8.240 nan 0.000 0.533 73 F N 0.146 120.075 119.950 -0.034 0.000 2.520 73 F HA 0.673 5.200 4.527 0.000 0.000 0.322 73 F C 0.767 176.601 175.800 0.056 0.000 1.103 73 F CA -1.084 56.910 58.000 -0.010 0.000 0.926 73 F CB 2.015 40.975 39.000 -0.066 0.000 1.154 73 F HN 0.353 nan 8.300 nan 0.000 0.453 74 R N 1.583 122.216 120.500 0.222 0.000 2.837 74 R HA 0.921 5.260 4.340 -0.000 0.000 0.271 74 R C -1.327 175.094 176.300 0.203 0.000 0.993 74 R CA -1.365 54.859 56.100 0.208 0.000 0.931 74 R CB 2.234 32.656 30.300 0.204 0.000 1.206 74 R HN 0.736 nan 8.270 nan 0.000 0.474 75 A N 1.589 124.518 122.820 0.183 0.000 2.475 75 A HA 0.858 5.178 4.320 -0.000 0.000 0.301 75 A C -1.295 176.390 177.584 0.169 0.000 1.059 75 A CA -0.707 51.370 52.037 0.067 0.000 0.710 75 A CB 1.293 20.303 19.000 0.018 0.000 1.288 75 A HN 0.605 nan 8.150 nan 0.000 0.408 76 F N 0.015 119.931 119.950 -0.056 0.000 2.668 76 F HA 0.698 5.225 4.527 -0.000 0.000 0.309 76 F C -0.763 174.973 175.800 -0.106 0.000 1.117 76 F CA -1.551 56.411 58.000 -0.064 0.000 0.951 76 F CB 0.733 39.685 39.000 -0.079 0.000 1.323 76 F HN 0.342 nan 8.300 nan 0.000 0.451 77 I N 2.569 123.194 120.570 0.092 0.000 2.683 77 I HA -0.043 4.127 4.170 -0.000 0.000 0.286 77 I C 0.485 176.558 176.117 -0.073 0.000 1.175 77 I CA 0.317 61.605 61.300 -0.020 0.000 1.429 77 I CB 0.153 38.158 38.000 0.008 0.000 1.371 77 I HN 0.659 nan 8.210 nan 0.000 0.569 78 N N 4.884 123.465 118.700 -0.198 0.000 3.303 78 N HA 0.024 4.764 4.740 -0.000 0.000 0.304 78 N C -0.734 174.675 175.510 -0.169 0.000 1.302 78 N CA 0.228 53.128 53.050 -0.250 0.000 1.213 78 N CB 0.025 38.318 38.487 -0.323 0.000 1.481 78 N HN 0.574 nan 8.380 nan 0.000 0.546 79 S N 0.724 116.347 115.700 -0.127 0.000 2.603 79 S HA 0.238 4.708 4.470 -0.000 0.000 0.274 79 S C -0.627 173.912 174.600 -0.102 0.000 1.168 79 S CA -0.710 57.436 58.200 -0.090 0.000 0.963 79 S CB 0.277 63.445 63.200 -0.053 0.000 1.078 79 S HN 0.365 nan 8.310 nan 0.000 0.477 80 C N 4.376 123.643 119.300 -0.055 0.000 2.642 80 C HA 0.396 4.856 4.460 -0.000 0.000 0.420 80 C C 2.238 177.299 174.990 0.119 0.000 1.349 80 C CA 0.758 59.811 59.018 0.058 0.000 1.821 80 C CB -0.318 27.506 27.740 0.141 0.000 2.637 80 C HN 0.987 nan 8.230 nan 0.000 0.605 81 T N 1.463 116.201 114.554 0.307 0.000 3.169 81 T HA 0.020 4.370 4.350 -0.000 0.000 0.250 81 T C 1.248 176.066 174.700 0.195 0.000 1.111 81 T CA 0.964 63.226 62.100 0.270 0.000 1.010 81 T CB -0.458 68.637 68.868 0.378 0.000 0.984 81 T HN 0.932 nan 8.240 nan 0.000 0.537 82 H N 1.736 120.637 119.070 -0.282 0.000 2.347 82 H HA 0.183 4.739 4.556 -0.000 0.000 0.321 82 H C 1.351 176.485 175.328 -0.322 0.000 1.075 82 H CA 0.226 55.838 56.048 -0.728 0.000 1.454 82 H CB 0.393 29.080 29.762 -1.791 0.000 1.477 82 H HN 0.035 nan 8.280 nan 0.000 0.571 83 R N -0.175 120.019 120.500 -0.511 0.000 2.509 83 R HA 0.182 4.522 4.340 -0.000 0.000 0.300 83 R C 0.897 177.151 176.300 -0.077 0.000 0.985 83 R CA 0.560 56.471 56.100 -0.314 0.000 1.092 83 R CB 1.048 31.128 30.300 -0.367 0.000 1.237 83 R HN 0.771 nan 8.270 nan 0.000 0.546 84 G N 1.525 110.301 108.800 -0.040 0.000 2.175 84 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 84 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 84 G C 0.204 175.120 174.900 0.027 0.000 0.982 84 G CA 0.118 45.221 45.100 0.004 0.000 0.641 84 G HN 0.423 nan 8.290 nan 0.000 0.527 85 N N 0.881 119.625 118.700 0.074 0.000 2.356 85 N HA 0.221 4.961 4.740 -0.000 0.000 0.252 85 N C 0.567 176.099 175.510 0.037 0.000 1.241 85 N CA 0.587 53.691 53.050 0.090 0.000 0.861 85 N CB 0.324 38.920 38.487 0.182 0.000 1.075 85 N HN 0.620 nan 8.380 nan 0.000 0.461 86 Q N 2.760 122.562 119.800 0.003 0.000 2.300 86 Q HA 0.021 4.361 4.340 -0.000 0.000 0.280 86 Q C 0.814 176.743 176.000 -0.119 0.000 1.033 86 Q CA 0.097 55.833 55.803 -0.111 0.000 0.903 86 Q CB 0.486 29.095 28.738 -0.215 0.000 1.195 86 Q HN 0.721 nan 8.270 nan 0.000 0.386 87 I N 2.207 122.694 120.570 -0.139 0.000 2.339 87 I HA -0.039 4.131 4.170 -0.000 0.000 0.245 87 I C 0.811 176.895 176.117 -0.056 0.000 1.096 87 I CA 0.233 61.510 61.300 -0.039 0.000 1.408 87 I CB 0.362 38.336 38.000 -0.045 0.000 1.092 87 I HN 0.546 nan 8.210 nan 0.000 0.423 88 C N 0.960 120.140 119.300 -0.199 0.000 2.369 88 C HA 0.396 4.855 4.460 -0.000 0.000 0.322 88 C C 1.099 175.944 174.990 -0.241 0.000 1.258 88 C CA -0.499 58.445 59.018 -0.124 0.000 1.487 88 C CB 0.174 27.837 27.740 -0.128 0.000 2.165 88 C HN 0.384 nan 8.230 nan 0.000 0.483 89 H N 2.968 122.086 119.070 0.080 0.000 2.652 89 H HA 0.261 4.817 4.556 -0.000 0.000 0.274 89 H C 1.023 176.420 175.328 0.115 0.000 1.021 89 H CA 0.608 56.700 56.048 0.074 0.000 1.187 89 H CB 0.449 30.245 29.762 0.056 0.000 1.505 89 H HN 0.772 nan 8.280 nan 0.000 0.530 90 A N 0.716 123.702 122.820 0.276 0.000 2.316 90 A HA 0.130 4.450 4.320 -0.000 0.000 0.284 90 A C 0.747 178.497 177.584 0.277 0.000 1.115 90 A CA -0.446 51.764 52.037 0.288 0.000 0.812 90 A CB 0.756 20.000 19.000 0.407 0.000 1.064 90 A HN 0.054 nan 8.150 nan 0.000 0.489 91 D N 0.006 120.495 120.400 0.148 0.000 2.149 91 D HA 0.027 4.667 4.640 -0.000 0.000 0.201 91 D C 0.891 177.233 176.300 0.069 0.000 0.972 91 D CA 2.031 56.088 54.000 0.094 0.000 0.835 91 D CB 0.097 40.885 40.800 -0.020 0.000 0.966 91 D HN 0.693 nan 8.370 nan 0.000 0.476 92 S N -2.423 113.229 115.700 -0.080 0.000 2.636 92 S HA 0.697 5.167 4.470 -0.000 0.000 0.268 92 S C -0.124 174.021 174.600 -0.757 0.000 1.159 92 S CA -0.229 57.669 58.200 -0.504 0.000 0.815 92 S CB 2.190 65.222 63.200 -0.280 0.000 1.130 92 S HN 0.353 nan 8.310 nan 0.000 0.471 93 G N 0.656 108.789 108.800 -1.112 0.000 2.345 93 G HA2 0.304 4.264 3.960 -0.000 0.000 0.285 93 G HA3 0.304 4.264 3.960 -0.000 0.000 0.285 93 G C -2.253 172.366 174.900 -0.468 0.000 1.297 93 G CA -0.505 44.212 45.100 -0.639 0.000 0.875 93 G HN 0.920 nan 8.290 nan 0.000 0.506 94 N N 0.223 118.934 118.700 0.018 0.000 2.346 94 N HA 0.708 5.447 4.740 -0.000 0.000 0.289 94 N C -0.811 174.841 175.510 0.238 0.000 1.027 94 N CA 0.275 53.419 53.050 0.157 0.000 0.864 94 N CB 1.923 40.433 38.487 0.039 0.000 1.370 94 N HN 1.437 nan 8.380 nan 0.000 0.481 95 A N 3.055 125.999 122.820 0.208 0.000 2.517 95 A HA 0.380 4.700 4.320 -0.000 0.000 0.297 95 A C 0.083 177.555 177.584 -0.185 0.000 1.050 95 A CA -0.571 51.390 52.037 -0.127 0.000 0.694 95 A CB 1.297 19.929 19.000 -0.613 0.000 1.277 95 A HN 0.701 nan 8.150 nan 0.000 0.400 96 K N 0.455 120.752 120.400 -0.172 0.000 2.400 96 K HA 0.429 4.749 4.320 -0.000 0.000 0.194 96 K C 0.540 177.043 176.600 -0.161 0.000 1.033 96 K CA 1.241 57.460 56.287 -0.113 0.000 1.021 96 K CB 0.478 32.939 32.500 -0.065 0.000 0.808 96 K HN 0.856 nan 8.250 nan 0.000 0.505 97 A N 0.390 123.005 122.820 -0.340 0.000 2.606 97 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 97 A C -1.775 175.484 177.584 -0.542 0.000 1.082 97 A CA -0.758 51.126 52.037 -0.256 0.000 0.685 97 A CB 0.892 19.839 19.000 -0.087 0.000 1.284 97 A HN 0.061 nan 8.150 nan 0.000 0.408 98 F N 0.679 120.683 119.950 0.090 0.000 2.507 98 F HA 0.540 5.067 4.527 -0.000 0.000 0.328 98 F C -0.108 175.810 175.800 0.198 0.000 1.136 98 F CA -0.671 57.386 58.000 0.095 0.000 0.930 98 F CB 2.386 41.460 39.000 0.124 0.000 1.166 98 F HN 0.306 nan 8.300 nan 0.000 0.436 99 V N 2.814 122.899 119.914 0.285 0.000 2.398 99 V HA 0.209 4.329 4.120 -0.000 0.000 0.286 99 V C -0.204 176.069 176.094 0.299 0.000 1.026 99 V CA -0.968 61.495 62.300 0.272 0.000 0.868 99 V CB 1.635 33.558 31.823 0.166 0.000 0.982 99 V HN 0.953 nan 8.190 nan 0.000 0.443 100 C N 4.913 124.438 119.300 0.375 0.000 2.566 100 C HA 0.243 4.703 4.460 -0.000 0.000 0.393 100 C C 1.482 176.630 174.990 0.263 0.000 1.309 100 C CA -0.284 58.928 59.018 0.323 0.000 1.801 100 C CB -1.213 26.762 27.740 0.393 0.000 2.493 100 C HN 0.988 nan 8.230 nan 0.000 0.575 101 N N 3.117 121.946 118.700 0.215 0.000 2.370 101 N HA 0.010 4.750 4.740 -0.000 0.000 0.198 101 N C 0.918 176.528 175.510 0.167 0.000 1.156 101 N CA -0.042 53.111 53.050 0.172 0.000 0.839 101 N CB 0.062 38.629 38.487 0.134 0.000 0.989 101 N HN 0.851 nan 8.380 nan 0.000 0.468 102 Y N 0.768 121.079 120.300 0.018 0.000 2.138 102 Y HA -0.057 4.493 4.550 -0.000 0.000 0.286 102 Y C 1.165 176.892 175.900 -0.289 0.000 1.115 102 Y CA 1.696 59.701 58.100 -0.158 0.000 1.105 102 Y CB -0.212 38.160 38.460 -0.146 0.000 1.004 102 Y HN 0.169 nan 8.280 nan 0.000 0.494 103 H N -1.589 117.592 119.070 0.185 0.000 2.893 103 H HA 0.377 4.933 4.556 -0.000 0.000 0.270 103 H C 1.324 176.765 175.328 0.189 0.000 1.095 103 H CA 0.382 56.498 56.048 0.113 0.000 1.186 103 H CB 0.707 30.464 29.762 -0.009 0.000 1.562 103 H HN 0.412 nan 8.280 nan 0.000 0.536 104 G N -0.119 108.868 108.800 0.312 0.000 2.141 104 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.231 104 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.231 104 G C -0.436 174.673 174.900 0.348 0.000 0.984 104 G CA -0.442 44.827 45.100 0.281 0.000 0.660 104 G HN 0.138 nan 8.290 nan 0.000 0.525 105 W N 0.023 121.382 121.300 0.098 0.000 2.257 105 W HA 0.453 5.113 4.660 -0.000 0.000 0.337 105 W C 0.557 177.029 176.519 -0.078 0.000 1.321 105 W CA -0.350 56.964 57.345 -0.051 0.000 1.267 105 W CB 0.484 29.911 29.460 -0.054 0.000 1.187 105 W HN 0.171 nan 8.180 nan 0.000 0.565 106 V N 5.394 125.243 119.914 -0.108 0.000 2.448 106 V HA 0.320 4.440 4.120 -0.000 0.000 0.295 106 V C -0.746 175.164 176.094 -0.307 0.000 1.025 106 V CA -1.219 61.036 62.300 -0.075 0.000 0.859 106 V CB 0.683 32.471 31.823 -0.059 0.000 0.988 106 V HN 0.233 nan 8.190 nan 0.000 0.431 107 Y N 2.116 122.469 120.300 0.088 0.000 2.409 107 Y HA 0.735 5.285 4.550 -0.000 0.000 0.339 107 Y C 0.947 176.882 175.900 0.059 0.000 1.033 107 Y CA -0.278 57.833 58.100 0.018 0.000 1.094 107 Y CB 1.840 40.294 38.460 -0.010 0.000 1.210 107 Y HN 0.739 nan 8.280 nan 0.000 0.456 108 G N 0.452 109.306 108.800 0.090 0.000 2.543 108 G HA2 0.130 4.090 3.960 -0.000 0.000 0.290 108 G HA3 0.130 4.090 3.960 -0.000 0.000 0.290 108 G C 0.220 175.244 174.900 0.207 0.000 1.310 108 G CA -0.598 44.560 45.100 0.096 0.000 1.025 108 G HN 0.774 nan 8.290 nan 0.000 0.502 109 Q N -0.521 119.420 119.800 0.235 0.000 2.439 109 Q HA -0.095 4.245 4.340 -0.000 0.000 0.211 109 Q C 1.005 177.203 176.000 0.329 0.000 0.978 109 Q CA 1.337 57.377 55.803 0.395 0.000 0.897 109 Q CB 0.163 29.067 28.738 0.278 0.000 0.956 109 Q HN 0.713 nan 8.270 nan 0.000 0.483 110 D N -2.252 118.201 120.400 0.089 0.000 2.431 110 D HA 0.102 4.742 4.640 -0.000 0.000 0.213 110 D C 1.024 177.150 176.300 -0.290 0.000 1.130 110 D CA 0.550 54.574 54.000 0.040 0.000 0.834 110 D CB 0.492 41.318 40.800 0.042 0.000 0.985 110 D HN 0.169 nan 8.370 nan 0.000 0.504 111 G N 0.052 108.318 108.800 -0.891 0.000 2.175 111 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 111 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 111 G C 0.330 175.001 174.900 -0.380 0.000 0.982 111 G CA 0.157 44.411 45.100 -1.410 0.000 0.641 111 G HN 0.390 nan 8.290 nan 0.000 0.527 112 S N -0.032 115.545 115.700 -0.206 0.000 2.560 112 S HA 0.398 4.868 4.470 -0.000 0.000 0.284 112 S C 0.368 174.913 174.600 -0.092 0.000 1.327 112 S CA -0.120 58.022 58.200 -0.096 0.000 1.055 112 S CB 1.333 64.479 63.200 -0.091 0.000 0.868 112 S HN 0.893 nan 8.310 nan 0.000 0.506 113 L N 5.844 126.971 121.223 -0.160 0.000 2.342 113 L HA 0.261 4.601 4.340 -0.000 0.000 0.285 113 L C 0.815 177.475 176.870 -0.349 0.000 1.095 113 L CA 0.190 54.789 54.840 -0.402 0.000 0.843 113 L CB 0.528 42.311 42.059 -0.461 0.000 1.201 113 L HN 0.571 nan 8.230 nan 0.000 0.445 114 V N 0.804 120.524 119.914 -0.324 0.000 3.125 114 V HA 0.391 4.511 4.120 -0.000 0.000 0.249 114 V C 0.268 176.213 176.094 -0.249 0.000 1.113 114 V CA 0.714 62.876 62.300 -0.230 0.000 1.106 114 V CB -0.073 31.663 31.823 -0.144 0.000 0.768 114 V HN 0.823 nan 8.190 nan 0.000 0.468 115 D N -0.611 119.600 120.400 -0.315 0.000 2.803 115 D HA 0.525 5.165 4.640 -0.000 0.000 0.218 115 D C -1.205 174.861 176.300 -0.390 0.000 1.245 115 D CA 0.035 53.864 54.000 -0.285 0.000 0.821 115 D CB 2.595 43.295 40.800 -0.168 0.000 1.626 115 D HN 0.398 nan 8.370 nan 0.000 0.487 116 V N 1.100 120.771 119.914 -0.405 0.000 2.656 116 V HA 0.816 4.935 4.120 -0.000 0.000 0.307 116 V C -2.755 173.264 176.094 -0.126 0.000 1.051 116 V CA -2.203 59.847 62.300 -0.416 0.000 0.893 116 V CB 1.796 33.037 31.823 -0.971 0.000 0.999 116 V HN 0.430 nan 8.190 nan 0.000 0.426 117 P HA 0.303 nan 4.420 nan 0.000 0.262 117 P C 0.382 177.739 177.300 0.096 0.000 1.182 117 P CA 0.387 63.534 63.100 0.077 0.000 0.761 117 P CB 0.124 31.911 31.700 0.144 0.000 0.795 118 L N 0.567 121.819 121.223 0.049 0.000 3.898 118 L HA -0.270 4.070 4.340 -0.000 0.000 0.407 118 L C 1.596 178.507 176.870 0.068 0.000 1.207 118 L CA 0.400 55.262 54.840 0.037 0.000 0.931 118 L CB -1.587 40.485 42.059 0.021 0.000 2.014 118 L HN 0.486 nan 8.230 nan 0.000 0.858 119 E N 0.343 120.568 120.200 0.042 0.000 2.058 119 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 119 E C 1.966 178.576 176.600 0.016 0.000 0.997 119 E CA 1.804 58.218 56.400 0.023 0.000 0.801 119 E CB 0.121 29.750 29.700 -0.118 0.000 0.746 119 E HN 0.556 nan 8.360 nan 0.000 0.450 120 S N -0.349 115.344 115.700 -0.013 0.000 2.329 120 S HA -0.087 4.383 4.470 -0.000 0.000 0.215 120 S C 1.969 176.553 174.600 -0.027 0.000 1.031 120 S CA 0.884 59.079 58.200 -0.007 0.000 0.985 120 S CB -0.118 63.078 63.200 -0.006 0.000 0.917 120 S HN 0.230 nan 8.310 nan 0.000 0.441 121 R N -0.191 120.285 120.500 -0.042 0.000 2.097 121 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 121 R C 2.453 178.607 176.300 -0.242 0.000 1.135 121 R CA 1.982 58.040 56.100 -0.069 0.000 0.934 121 R CB -0.813 29.461 30.300 -0.044 0.000 0.846 121 R HN 0.475 nan 8.270 nan 0.000 0.431 122 C N -2.267 116.860 119.300 -0.288 0.000 2.700 122 C HA 0.167 4.627 4.460 -0.000 0.000 0.297 122 C C 2.030 176.609 174.990 -0.684 0.000 1.293 122 C CA -0.507 58.232 59.018 -0.465 0.000 1.756 122 C CB -0.533 27.016 27.740 -0.317 0.000 2.210 122 C HN 0.427 nan 8.230 nan 0.000 0.553 123 Y N -0.342 119.731 120.300 -0.379 0.000 2.510 123 Y HA 0.079 4.629 4.550 -0.000 0.000 0.273 123 Y C 1.103 176.895 175.900 -0.181 0.000 1.119 123 Y CA 0.780 58.732 58.100 -0.246 0.000 1.286 123 Y CB -0.182 38.186 38.460 -0.154 0.000 1.061 123 Y HN 0.383 nan 8.280 nan 0.000 0.542 124 H N -0.321 118.800 119.070 0.084 0.000 2.886 124 H HA -0.188 4.368 4.556 -0.000 0.000 0.294 124 H C -0.137 175.210 175.328 0.032 0.000 1.246 124 H CA 0.644 56.715 56.048 0.038 0.000 1.142 124 H CB -2.210 27.564 29.762 0.021 0.000 1.358 124 H HN 0.454 nan 8.280 nan 0.000 0.406 125 N N -0.357 118.394 118.700 0.086 0.000 2.701 125 N HA -0.234 4.506 4.740 -0.000 0.000 0.250 125 N C 1.328 176.855 175.510 0.028 0.000 1.046 125 N CA 1.678 54.742 53.050 0.024 0.000 0.733 125 N CB -0.472 38.019 38.487 0.005 0.000 0.973 125 N HN 0.784 nan 8.380 nan 0.000 0.541 126 K N -0.183 120.260 120.400 0.073 0.000 2.353 126 K HA 0.133 4.453 4.320 -0.000 0.000 0.195 126 K C 0.400 177.010 176.600 0.017 0.000 1.031 126 K CA -0.317 56.007 56.287 0.062 0.000 1.079 126 K CB 0.321 32.890 32.500 0.115 0.000 0.857 126 K HN 0.124 nan 8.250 nan 0.000 0.535 127 L N 3.457 124.651 121.223 -0.049 0.000 2.281 127 L HA 0.169 4.509 4.340 -0.000 0.000 0.285 127 L C -0.931 175.820 176.870 -0.199 0.000 1.074 127 L CA -0.157 54.582 54.840 -0.168 0.000 0.817 127 L CB 1.045 42.810 42.059 -0.490 0.000 1.168 127 L HN 0.221 nan 8.230 nan 0.000 0.434 128 D N 4.657 124.971 120.400 -0.143 0.000 2.359 128 D HA 0.087 4.727 4.640 -0.000 0.000 0.230 128 D C 0.241 176.434 176.300 -0.180 0.000 1.118 128 D CA -0.419 53.495 54.000 -0.143 0.000 0.844 128 D CB 1.138 41.888 40.800 -0.085 0.000 1.059 128 D HN 0.582 nan 8.370 nan 0.000 0.493 129 K N 2.021 122.277 120.400 -0.240 0.000 2.209 129 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 129 K C 1.995 178.489 176.600 -0.176 0.000 1.048 129 K CA 1.041 57.158 56.287 -0.283 0.000 0.940 129 K CB 0.147 32.450 32.500 -0.329 0.000 0.729 129 K HN 0.526 nan 8.250 nan 0.000 0.451 130 Q N 0.572 120.296 119.800 -0.127 0.000 2.181 130 Q HA -0.195 4.145 4.340 -0.000 0.000 0.205 130 Q C 1.597 177.564 176.000 -0.054 0.000 0.980 130 Q CA 1.220 56.974 55.803 -0.081 0.000 0.862 130 Q CB 0.078 28.778 28.738 -0.063 0.000 0.905 130 Q HN 0.379 nan 8.270 nan 0.000 0.429 131 E N -0.141 120.029 120.200 -0.050 0.000 2.479 131 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 131 E C 0.779 177.383 176.600 0.007 0.000 1.049 131 E CA -0.095 56.294 56.400 -0.017 0.000 0.870 131 E CB 0.408 30.101 29.700 -0.010 0.000 0.944 131 E HN 0.251 nan 8.360 nan 0.000 0.492 132 L N 0.684 121.901 121.223 -0.010 0.000 2.910 132 L HA 0.353 4.693 4.340 -0.000 0.000 0.252 132 L C 0.480 177.419 176.870 0.114 0.000 1.195 132 L CA -0.583 54.291 54.840 0.057 0.000 1.003 132 L CB 0.611 42.673 42.059 0.004 0.000 1.328 132 L HN -0.000 nan 8.230 nan 0.000 0.540 133 A N 0.951 123.808 122.820 0.061 0.000 2.531 133 A HA 0.448 4.768 4.320 -0.000 0.000 0.236 133 A C 0.899 178.557 177.584 0.124 0.000 1.062 133 A CA 0.249 52.334 52.037 0.081 0.000 0.760 133 A CB 0.176 19.180 19.000 0.006 0.000 0.995 133 A HN 0.333 nan 8.150 nan 0.000 0.501 134 A N 2.115 125.002 122.820 0.111 0.000 2.520 134 A HA 0.322 4.642 4.320 -0.000 0.000 0.235 134 A C 0.767 178.382 177.584 0.052 0.000 1.065 134 A CA 0.129 52.174 52.037 0.013 0.000 0.764 134 A CB -0.012 18.907 19.000 -0.134 0.000 1.002 134 A HN 0.892 nan 8.150 nan 0.000 0.502 135 K N 1.876 122.322 120.400 0.077 0.000 2.436 135 K HA 0.144 4.464 4.320 -0.000 0.000 0.282 135 K C 0.527 177.204 176.600 0.128 0.000 1.044 135 K CA 0.353 56.687 56.287 0.078 0.000 1.028 135 K CB 0.151 32.679 32.500 0.046 0.000 0.919 135 K HN 0.839 nan 8.250 nan 0.000 0.474 136 S N 2.000 117.767 115.700 0.113 0.000 2.593 136 S HA 0.303 4.773 4.470 -0.000 0.000 0.269 136 S C -0.070 174.615 174.600 0.141 0.000 1.334 136 S CA -0.993 57.294 58.200 0.145 0.000 1.015 136 S CB 1.507 64.772 63.200 0.108 0.000 0.912 136 S HN 0.303 nan 8.310 nan 0.000 0.541 137 V N 1.963 121.960 119.914 0.139 0.000 2.656 137 V HA 0.436 4.556 4.120 -0.000 0.000 0.307 137 V C 0.115 176.248 176.094 0.065 0.000 1.051 137 V CA -1.059 61.297 62.300 0.093 0.000 0.893 137 V CB 1.742 33.597 31.823 0.054 0.000 0.999 137 V HN 0.912 nan 8.190 nan 0.000 0.426 138 R N 2.405 122.913 120.500 0.013 0.000 2.489 138 R HA 0.476 4.816 4.340 -0.000 0.000 0.287 138 R C -0.883 175.530 176.300 0.189 0.000 1.053 138 R CA -0.159 55.988 56.100 0.078 0.000 1.036 138 R CB 0.605 30.913 30.300 0.014 0.000 0.966 138 R HN 0.463 nan 8.270 nan 0.000 0.432 139 V N 3.035 123.111 119.914 0.271 0.000 2.540 139 V HA 0.313 4.433 4.120 -0.000 0.000 0.302 139 V C -0.161 176.114 176.094 0.301 0.000 1.035 139 V CA -0.653 61.840 62.300 0.323 0.000 0.873 139 V CB 1.856 33.814 31.823 0.225 0.000 0.992 139 V HN 0.783 nan 8.190 nan 0.000 0.428 140 E N 1.532 121.884 120.200 0.253 0.000 2.369 140 E HA 0.727 5.077 4.350 -0.000 0.000 0.270 140 E C -0.972 175.645 176.600 0.029 0.000 0.909 140 E CA -0.740 55.662 56.400 0.003 0.000 0.775 140 E CB 2.781 32.260 29.700 -0.368 0.000 1.270 140 E HN 0.803 nan 8.360 nan 0.000 0.445 141 T N -1.367 113.191 114.554 0.008 0.000 2.907 141 T HA 0.576 4.926 4.350 -0.000 0.000 0.292 141 T C -1.384 173.397 174.700 0.135 0.000 1.043 141 T CA -0.687 61.439 62.100 0.043 0.000 1.003 141 T CB 1.114 69.909 68.868 -0.122 0.000 1.084 141 T HN 0.546 nan 8.240 nan 0.000 0.483 142 Y N 1.071 121.420 120.300 0.081 0.000 2.315 142 Y HA 0.431 4.981 4.550 -0.000 0.000 0.324 142 Y C 0.112 176.159 175.900 0.244 0.000 1.062 142 Y CA -0.758 57.429 58.100 0.145 0.000 1.159 142 Y CB 1.236 39.812 38.460 0.193 0.000 1.145 142 Y HN 0.999 nan 8.280 nan 0.000 0.442 143 K N 4.305 124.536 120.400 -0.283 0.000 3.035 143 K HA -0.253 4.067 4.320 -0.000 0.000 0.262 143 K C 0.963 177.491 176.600 -0.120 0.000 1.024 143 K CA 1.336 57.548 56.287 -0.125 0.000 0.748 143 K CB -1.422 31.087 32.500 0.014 0.000 1.247 143 K HN 1.303 nan 8.250 nan 0.000 0.482 144 G N -1.275 107.326 108.800 -0.331 0.000 2.268 144 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.240 144 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.240 144 G C 0.117 174.168 174.900 -1.414 0.000 1.010 144 G CA 0.100 44.679 45.100 -0.868 0.000 0.618 144 G HN 0.221 nan 8.290 nan 0.000 0.516 145 F N 1.430 120.884 119.950 -0.826 0.000 2.443 145 F HA 0.624 5.151 4.527 -0.000 0.000 0.353 145 F C 1.102 176.727 175.800 -0.291 0.000 1.101 145 F CA -0.286 57.336 58.000 -0.630 0.000 1.226 145 F CB 0.757 39.363 39.000 -0.656 0.000 1.140 145 F HN -0.014 nan 8.300 nan 0.000 0.557 146 I N 4.052 124.504 120.570 -0.197 0.000 2.378 146 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 146 I C -0.834 175.308 176.117 0.041 0.000 0.992 146 I CA -0.474 60.778 61.300 -0.080 0.000 1.154 146 I CB 1.059 38.907 38.000 -0.252 0.000 1.315 146 I HN 0.340 nan 8.210 nan 0.000 0.448 147 F N 2.894 122.916 119.950 0.119 0.000 2.579 147 F HA 0.795 5.322 4.527 -0.000 0.000 0.324 147 F C 0.663 176.682 175.800 0.365 0.000 1.058 147 F CA -0.736 57.425 58.000 0.269 0.000 0.944 147 F CB 2.108 41.327 39.000 0.364 0.000 1.245 147 F HN 0.361 nan 8.300 nan 0.000 0.477 148 G N -0.376 108.734 108.800 0.516 0.000 2.533 148 G HA2 0.584 4.544 3.960 -0.000 0.000 0.304 148 G HA3 0.584 4.544 3.960 -0.000 0.000 0.304 148 G C -2.116 172.684 174.900 -0.167 0.000 1.263 148 G CA -0.812 44.413 45.100 0.207 0.000 0.964 148 G HN 0.888 nan 8.290 nan 0.000 0.479 149 C N 0.780 119.738 119.300 -0.570 0.000 2.891 149 C HA 0.605 5.065 4.460 -0.000 0.000 0.342 149 C C 0.432 175.068 174.990 -0.590 0.000 1.126 149 C CA -0.681 57.809 59.018 -0.880 0.000 1.322 149 C CB 0.720 27.335 27.740 -1.875 0.000 1.763 149 C HN 0.934 nan 8.230 nan 0.000 0.491 150 H N 0.969 119.889 119.070 -0.251 0.000 2.563 150 H HA 0.174 4.729 4.556 -0.000 0.000 0.264 150 H C -0.006 175.251 175.328 -0.119 0.000 0.957 150 H CA 0.584 56.549 56.048 -0.137 0.000 1.173 150 H CB 0.306 30.020 29.762 -0.079 0.000 1.420 150 H HN 0.637 nan 8.280 nan 0.000 0.551 151 D N 1.961 122.325 120.400 -0.061 0.000 2.329 151 D HA 0.084 4.724 4.640 -0.000 0.000 0.232 151 D C -1.544 174.717 176.300 -0.065 0.000 1.088 151 D CA -2.222 51.775 54.000 -0.005 0.000 0.835 151 D CB 2.077 42.942 40.800 0.108 0.000 1.078 151 D HN 0.052 nan 8.370 nan 0.000 0.495 152 P HA -0.074 nan 4.420 nan 0.000 0.226 152 P C 0.459 177.744 177.300 -0.024 0.000 1.153 152 P CA 0.780 63.868 63.100 -0.020 0.000 0.777 152 P CB 0.501 32.207 31.700 0.010 0.000 0.794 153 E N -0.219 119.987 120.200 0.009 0.000 2.481 153 E HA 0.178 4.528 4.350 -0.000 0.000 0.195 153 E C 0.895 177.382 176.600 -0.188 0.000 1.047 153 E CA -0.319 56.094 56.400 0.021 0.000 0.867 153 E CB -0.095 29.698 29.700 0.155 0.000 0.858 153 E HN 0.206 nan 8.360 nan 0.000 0.513 154 A N 3.099 125.687 122.820 -0.387 0.000 2.483 154 A HA 0.158 4.478 4.320 -0.000 0.000 0.238 154 A C -2.002 175.223 177.584 -0.598 0.000 1.070 154 A CA -1.148 50.273 52.037 -1.027 0.000 0.770 154 A CB -0.170 18.400 19.000 -0.717 0.000 1.008 154 A HN -0.059 nan 8.150 nan 0.000 0.497 155 P HA 0.092 nan 4.420 nan 0.000 0.271 155 P C 0.272 177.564 177.300 -0.012 0.000 1.238 155 P CA -0.041 62.882 63.100 -0.294 0.000 0.794 155 P CB 0.106 31.620 31.700 -0.311 0.000 0.959 156 S N 0.189 115.872 115.700 -0.030 0.000 2.569 156 S HA -0.048 4.422 4.470 -0.000 0.000 0.274 156 S C 1.337 175.726 174.600 -0.352 0.000 1.353 156 S CA -0.546 57.607 58.200 -0.078 0.000 1.023 156 S CB -0.216 62.915 63.200 -0.115 0.000 0.876 156 S HN 0.427 nan 8.310 nan 0.000 0.540 157 L N 1.688 122.344 121.223 -0.945 0.000 2.043 157 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 157 L C 2.632 179.086 176.870 -0.694 0.000 1.075 157 L CA 2.579 56.568 54.840 -1.418 0.000 0.752 157 L CB -1.334 39.815 42.059 -1.517 0.000 0.891 157 L HN 1.012 nan 8.230 nan 0.000 0.432 158 E N -1.769 118.149 120.200 -0.470 0.000 2.110 158 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 158 E C 1.488 177.932 176.600 -0.261 0.000 0.988 158 E CA 1.526 57.700 56.400 -0.376 0.000 0.804 158 E CB -0.543 29.040 29.700 -0.195 0.000 0.745 158 E HN 0.503 nan 8.360 nan 0.000 0.458 159 D N -0.123 120.173 120.400 -0.173 0.000 2.224 159 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 159 D C 1.577 177.855 176.300 -0.037 0.000 0.965 159 D CA 0.776 54.730 54.000 -0.075 0.000 0.852 159 D CB -0.294 40.480 40.800 -0.043 0.000 0.947 159 D HN 0.348 nan 8.370 nan 0.000 0.494 160 Y N 1.242 121.376 120.300 -0.277 0.000 2.200 160 Y HA -0.107 4.443 4.550 -0.000 0.000 0.290 160 Y C 2.096 177.953 175.900 -0.071 0.000 1.137 160 Y CA 1.171 59.071 58.100 -0.333 0.000 1.163 160 Y CB -0.106 38.241 38.460 -0.189 0.000 0.988 160 Y HN -0.118 nan 8.280 nan 0.000 0.518 161 L N -0.396 120.710 121.223 -0.194 0.000 2.056 161 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 161 L C 2.103 178.944 176.870 -0.048 0.000 1.078 161 L CA 0.870 55.555 54.840 -0.258 0.000 0.749 161 L CB -1.368 40.417 42.059 -0.456 0.000 0.901 161 L HN 0.554 nan 8.230 nan 0.000 0.433 162 G N 0.476 109.234 108.800 -0.069 0.000 2.591 162 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.298 162 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.298 162 G C 0.647 175.552 174.900 0.008 0.000 1.195 162 G CA 0.610 45.705 45.100 -0.008 0.000 0.989 162 G HN 0.413 nan 8.290 nan 0.000 0.551 163 E N 0.058 120.279 120.200 0.035 0.000 2.418 163 E HA 0.092 4.442 4.350 -0.000 0.000 0.197 163 E C 2.078 178.811 176.600 0.221 0.000 1.026 163 E CA 0.544 56.995 56.400 0.084 0.000 0.862 163 E CB -0.002 29.744 29.700 0.078 0.000 0.799 163 E HN 0.429 nan 8.360 nan 0.000 0.518 164 F N 1.636 121.633 119.950 0.077 0.000 2.333 164 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 164 F C 2.136 177.943 175.800 0.011 0.000 1.083 164 F CA 0.796 58.894 58.000 0.162 0.000 1.395 164 F CB 0.199 39.225 39.000 0.044 0.000 1.056 164 F HN -0.117 nan 8.300 nan 0.000 0.529 165 R N -0.675 119.781 120.500 -0.072 0.000 2.127 165 R HA -0.227 4.113 4.340 -0.000 0.000 0.238 165 R C 2.086 178.272 176.300 -0.189 0.000 1.134 165 R CA 1.689 57.675 56.100 -0.190 0.000 0.975 165 R CB -0.743 29.467 30.300 -0.150 0.000 0.865 165 R HN 0.376 nan 8.270 nan 0.000 0.447 166 F N 0.446 120.190 119.950 -0.344 0.000 2.120 166 F HA -0.306 4.221 4.527 -0.000 0.000 0.300 166 F C 1.445 176.837 175.800 -0.681 0.000 1.095 166 F CA 1.609 59.299 58.000 -0.516 0.000 1.249 166 F CB -0.148 38.457 39.000 -0.658 0.000 0.995 166 F HN -0.028 nan 8.300 nan 0.000 0.480 167 Y N -0.418 119.740 120.300 -0.237 0.000 2.231 167 Y HA -0.033 4.517 4.550 -0.000 0.000 0.294 167 Y C 2.334 177.896 175.900 -0.563 0.000 1.120 167 Y CA 0.941 58.789 58.100 -0.421 0.000 1.141 167 Y CB -0.657 37.453 38.460 -0.583 0.000 1.022 167 Y HN -0.068 nan 8.280 nan 0.000 0.523 168 L N -0.005 120.815 121.223 -0.673 0.000 2.079 168 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 168 L C 1.696 178.208 176.870 -0.596 0.000 1.081 168 L CA 1.207 55.507 54.840 -0.900 0.000 0.752 168 L CB -0.494 40.870 42.059 -1.158 0.000 0.896 168 L HN 0.247 nan 8.230 nan 0.000 0.433 169 D N -0.471 119.661 120.400 -0.447 0.000 2.149 169 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 169 D C 2.159 178.027 176.300 -0.719 0.000 0.990 169 D CA 1.635 55.363 54.000 -0.454 0.000 0.839 169 D CB -0.287 40.206 40.800 -0.510 0.000 0.948 169 D HN 0.256 nan 8.370 nan 0.000 0.460 170 T N 1.017 115.072 114.554 -0.833 0.000 2.699 170 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 170 T C 2.172 176.702 174.700 -0.283 0.000 1.036 170 T CA 1.566 63.259 62.100 -0.678 0.000 1.147 170 T CB -0.211 68.443 68.868 -0.357 0.000 0.862 170 T HN 0.417 nan 8.240 nan 0.000 0.446 171 I N -3.605 116.724 120.570 -0.403 0.000 2.810 171 I HA 0.215 4.385 4.170 -0.000 0.000 0.262 171 I C 2.091 178.231 176.117 0.039 0.000 1.131 171 I CA 0.125 61.200 61.300 -0.375 0.000 1.453 171 I CB -0.307 36.951 38.000 -1.237 0.000 1.161 171 I HN 0.095 nan 8.210 nan 0.000 0.444 172 W N 2.259 123.423 121.300 -0.226 0.000 2.418 172 W HA 0.058 4.718 4.660 -0.000 0.000 0.292 172 W C 2.587 179.128 176.519 0.036 0.000 1.213 172 W CA 1.133 58.454 57.345 -0.041 0.000 1.283 172 W CB -0.508 28.919 29.460 -0.054 0.000 1.119 172 W HN 0.334 nan 8.180 nan 0.000 0.542 173 E N -0.840 119.486 120.200 0.209 0.000 2.030 173 E HA 0.194 4.544 4.350 -0.000 0.000 0.189 173 E C 1.623 178.366 176.600 0.237 0.000 0.974 173 E CA 1.334 57.848 56.400 0.190 0.000 0.807 173 E CB -0.308 29.514 29.700 0.203 0.000 0.771 173 E HN 0.015 nan 8.360 nan 0.000 0.451 174 G N -0.837 108.107 108.800 0.239 0.000 2.569 174 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.259 174 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.259 174 G C 0.541 175.503 174.900 0.103 0.000 1.263 174 G CA -0.125 45.121 45.100 0.244 0.000 0.928 174 G HN 0.565 nan 8.290 nan 0.000 0.572 175 G N -0.138 108.643 108.800 -0.032 0.000 3.159 175 G HA2 0.644 4.604 3.960 -0.000 0.000 0.232 175 G HA3 0.644 4.604 3.960 -0.000 0.000 0.232 175 G C 0.730 175.626 174.900 -0.007 0.000 1.116 175 G CA 1.403 46.439 45.100 -0.106 0.000 0.767 175 G HN 1.613 nan 8.290 nan 0.000 0.547 176 G N -0.423 108.457 108.800 0.132 0.000 3.302 176 G HA2 0.464 4.424 3.960 -0.000 0.000 0.170 176 G HA3 0.464 4.424 3.960 -0.000 0.000 0.170 176 G C 0.938 175.932 174.900 0.157 0.000 1.119 176 G CA 0.488 45.677 45.100 0.149 0.000 0.826 176 G HN 0.332 nan 8.290 nan 0.000 0.646 177 A N -1.104 121.829 122.820 0.188 0.000 2.251 177 A HA 0.567 4.887 4.320 -0.000 0.000 0.209 177 A C 1.272 178.922 177.584 0.109 0.000 1.187 177 A CA 1.423 53.530 52.037 0.116 0.000 0.823 177 A CB -0.957 18.093 19.000 0.084 0.000 0.846 177 A HN 2.443 nan 8.150 nan 0.000 0.486 178 G N -1.505 107.398 108.800 0.172 0.000 2.663 178 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.686 178 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.686 178 G C -0.542 174.409 174.900 0.085 0.000 1.288 178 G CA -0.500 44.696 45.100 0.161 0.000 0.836 178 G HN 0.509 nan 8.290 nan 0.000 0.584 179 L N 0.798 122.075 121.223 0.089 0.000 2.421 179 L HA 0.726 5.066 4.340 -0.000 0.000 0.263 179 L C 0.933 177.573 176.870 -0.384 0.000 1.122 179 L CA -0.359 54.438 54.840 -0.072 0.000 0.804 179 L CB 1.342 43.433 42.059 0.053 0.000 1.150 179 L HN 0.997 nan 8.230 nan 0.000 0.457 180 E N 1.283 121.084 120.200 -0.665 0.000 2.458 180 E HA 0.596 4.946 4.350 -0.000 0.000 0.278 180 E C -1.592 174.400 176.600 -1.014 0.000 1.004 180 E CA -0.984 54.591 56.400 -1.374 0.000 0.823 180 E CB 1.764 30.860 29.700 -1.008 0.000 1.396 180 E HN 0.335 nan 8.360 nan 0.000 0.463 181 L N 1.052 121.620 121.223 -1.093 0.000 2.334 181 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 181 L C -0.517 176.110 176.870 -0.405 0.000 1.036 181 L CA -1.098 53.336 54.840 -0.677 0.000 0.807 181 L CB 1.458 43.032 42.059 -0.809 0.000 1.231 181 L HN 0.459 nan 8.230 nan 0.000 0.438 182 L N 1.437 122.540 121.223 -0.200 0.000 2.356 182 L HA 0.702 5.042 4.340 -0.000 0.000 0.277 182 L C 0.042 176.964 176.870 0.087 0.000 0.996 182 L CA -0.160 54.625 54.840 -0.091 0.000 0.822 182 L CB 1.740 43.737 42.059 -0.104 0.000 1.256 182 L HN 0.726 nan 8.230 nan 0.000 0.413 183 G N 3.581 112.445 108.800 0.106 0.000 3.107 183 G HA2 0.655 4.615 3.960 -0.000 0.000 0.232 183 G HA3 0.655 4.615 3.960 -0.000 0.000 0.232 183 G C -2.712 172.193 174.900 0.008 0.000 1.339 183 G CA -0.829 44.360 45.100 0.148 0.000 1.033 183 G HN 0.438 nan 8.290 nan 0.000 0.567 184 P HA 0.286 nan 4.420 nan 0.000 0.272 184 P C -2.521 174.658 177.300 -0.202 0.000 1.223 184 P CA -0.822 62.226 63.100 -0.086 0.000 0.784 184 P CB 0.461 32.088 31.700 -0.121 0.000 0.923 185 P HA 0.236 nan 4.420 nan 0.000 0.277 185 P C -0.159 176.861 177.300 -0.465 0.000 1.240 185 P CA -0.201 62.498 63.100 -0.668 0.000 0.798 185 P CB 0.677 31.722 31.700 -1.091 0.000 0.979 186 M N 1.813 121.201 119.600 -0.354 0.000 2.240 186 M HA 0.204 4.684 4.480 -0.000 0.000 0.333 186 M C 0.588 176.675 176.300 -0.356 0.000 1.110 186 M CA 0.698 55.831 55.300 -0.278 0.000 1.173 186 M CB 0.331 32.834 32.600 -0.163 0.000 1.458 186 M HN 0.188 nan 8.290 nan 0.000 0.458 187 K N 1.243 121.455 120.400 -0.314 0.000 2.482 187 K HA 0.600 4.920 4.320 -0.000 0.000 0.251 187 K C -1.298 175.241 176.600 -0.102 0.000 0.936 187 K CA -0.688 55.435 56.287 -0.274 0.000 0.791 187 K CB 2.187 34.399 32.500 -0.480 0.000 1.213 187 K HN 0.809 nan 8.250 nan 0.000 0.428 188 S N 1.928 117.622 115.700 -0.011 0.000 2.596 188 S HA 0.575 5.045 4.470 -0.000 0.000 0.270 188 S C -0.939 173.689 174.600 0.046 0.000 1.155 188 S CA -1.072 57.131 58.200 0.005 0.000 0.827 188 S CB 0.949 64.146 63.200 -0.005 0.000 1.130 188 S HN 0.413 nan 8.310 nan 0.000 0.467 189 L N 1.342 122.575 121.223 0.017 0.000 2.334 189 L HA 0.738 5.078 4.340 -0.000 0.000 0.275 189 L C -1.095 175.748 176.870 -0.045 0.000 1.036 189 L CA -0.983 53.860 54.840 0.005 0.000 0.807 189 L CB 1.451 43.493 42.059 -0.028 0.000 1.231 189 L HN 0.673 nan 8.230 nan 0.000 0.438 190 L N 1.789 123.008 121.223 -0.006 0.000 2.436 190 L HA 0.380 4.720 4.340 -0.000 0.000 0.268 190 L C -0.310 176.586 176.870 0.044 0.000 0.974 190 L CA -0.243 54.596 54.840 -0.001 0.000 0.826 190 L CB 1.556 43.714 42.059 0.164 0.000 1.291 190 L HN 0.379 nan 8.230 nan 0.000 0.406 191 H N 4.238 123.408 119.070 0.167 0.000 3.220 191 H HA 0.323 4.879 4.556 -0.000 0.000 0.225 191 H C -0.224 175.287 175.328 0.305 0.000 1.869 191 H CA 0.075 56.272 56.048 0.248 0.000 1.428 191 H CB -0.488 29.390 29.762 0.194 0.000 1.792 191 H HN 0.653 nan 8.280 nan 0.000 0.595 192 C N -0.158 119.320 119.300 0.297 0.000 3.090 192 C HA 0.435 4.894 4.460 -0.000 0.000 0.305 192 C C 0.497 175.546 174.990 0.098 0.000 1.292 192 C CA -1.383 57.732 59.018 0.163 0.000 1.482 192 C CB 1.628 29.397 27.740 0.048 0.000 1.897 192 C HN 0.605 nan 8.230 nan 0.000 0.469 193 N N 1.681 120.368 118.700 -0.022 0.000 2.407 193 N HA -0.017 4.723 4.740 -0.000 0.000 0.250 193 N C 1.252 176.718 175.510 -0.073 0.000 1.236 193 N CA 0.381 53.409 53.050 -0.036 0.000 0.879 193 N CB 0.617 39.012 38.487 -0.153 0.000 1.088 193 N HN 1.023 nan 8.380 nan 0.000 0.450 194 W N 4.811 126.146 121.300 0.059 0.000 2.387 194 W HA -0.098 4.562 4.660 0.000 0.000 0.272 194 W C 0.672 177.154 176.519 -0.062 0.000 1.224 194 W CA 0.352 57.732 57.345 0.058 0.000 1.210 194 W CB -0.481 29.108 29.460 0.214 0.000 1.125 194 W HN 0.526 nan 8.180 nan 0.000 0.572 195 K N 0.850 120.751 120.400 -0.831 0.000 2.296 195 K HA -0.041 4.279 4.320 -0.000 0.000 0.200 195 K C 2.106 178.364 176.600 -0.571 0.000 1.048 195 K CA 1.224 57.026 56.287 -0.808 0.000 0.966 195 K CB -0.047 32.056 32.500 -0.662 0.000 0.754 195 K HN 0.024 nan 8.250 nan 0.000 0.466 196 V N 2.012 121.514 119.914 -0.686 0.000 2.261 196 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 196 V C -0.942 174.867 176.094 -0.476 0.000 1.047 196 V CA 1.699 63.634 62.300 -0.609 0.000 1.015 196 V CB -1.473 29.944 31.823 -0.677 0.000 0.642 196 V HN 0.213 nan 8.190 nan 0.000 0.446 197 P HA -0.055 nan 4.420 nan 0.000 0.217 197 P C 1.964 178.846 177.300 -0.697 0.000 1.151 197 P CA 1.203 63.832 63.100 -0.784 0.000 0.828 197 P CB -0.106 30.530 31.700 -1.774 0.000 0.788 198 V N 1.936 121.411 119.914 -0.730 0.000 2.295 198 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 198 V C 2.800 178.531 176.094 -0.605 0.000 1.049 198 V CA 2.381 64.353 62.300 -0.546 0.000 1.024 198 V CB -1.556 30.052 31.823 -0.358 0.000 0.648 198 V HN 0.283 nan 8.190 nan 0.000 0.447 199 E N 0.770 120.509 120.200 -0.767 0.000 2.153 199 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 199 E C 2.077 178.281 176.600 -0.660 0.000 0.988 199 E CA 1.684 57.561 56.400 -0.871 0.000 0.811 199 E CB -0.569 28.723 29.700 -0.680 0.000 0.746 199 E HN 0.679 nan 8.360 nan 0.000 0.466 200 N N 0.180 118.654 118.700 -0.376 0.000 2.058 200 N HA -0.151 4.589 4.740 -0.000 0.000 0.191 200 N C 1.618 177.043 175.510 -0.142 0.000 1.037 200 N CA 1.296 54.201 53.050 -0.243 0.000 0.848 200 N CB -0.214 38.131 38.487 -0.237 0.000 1.021 200 N HN 0.192 nan 8.380 nan 0.000 0.422 201 F N 0.712 120.552 119.950 -0.183 0.000 2.234 201 F HA 0.016 4.543 4.527 0.000 0.000 0.296 201 F C 2.433 178.191 175.800 -0.069 0.000 1.089 201 F CA 0.345 58.316 58.000 -0.049 0.000 1.343 201 F CB -0.644 38.343 39.000 -0.022 0.000 1.040 201 F HN -0.139 nan 8.300 nan 0.000 0.498 202 V N -0.938 118.969 119.914 -0.011 0.000 2.515 202 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 202 V C 1.891 177.982 176.094 -0.005 0.000 1.058 202 V CA 2.170 64.454 62.300 -0.027 0.000 1.064 202 V CB -0.329 31.404 31.823 -0.150 0.000 0.675 202 V HN 0.429 nan 8.190 nan 0.000 0.461 203 G N -1.780 106.960 108.800 -0.100 0.000 3.873 203 G HA2 0.088 4.048 3.960 -0.000 0.000 0.232 203 G HA3 0.088 4.048 3.960 -0.000 0.000 0.232 203 G C -0.102 174.915 174.900 0.196 0.000 1.097 203 G CA 0.286 45.396 45.100 0.017 0.000 0.889 203 G HN 0.376 nan 8.290 nan 0.000 0.532 204 D N 1.273 121.769 120.400 0.161 0.000 2.557 204 D HA 0.361 5.001 4.640 -0.000 0.000 0.236 204 D C 1.629 178.104 176.300 0.292 0.000 1.154 204 D CA -0.074 54.119 54.000 0.322 0.000 0.985 204 D CB 0.539 41.506 40.800 0.278 0.000 1.010 204 D HN 0.073 nan 8.370 nan 0.000 0.516 205 G N 0.792 109.565 108.800 -0.046 0.000 2.464 205 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 205 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 205 G C 1.300 176.248 174.900 0.081 0.000 1.138 205 G CA 0.163 45.103 45.100 -0.266 0.000 0.793 205 G HN 0.551 nan 8.290 nan 0.000 0.539 206 Y N 1.337 121.621 120.300 -0.027 0.000 2.165 206 Y HA -0.286 4.264 4.550 -0.000 0.000 0.286 206 Y C 2.941 178.912 175.900 0.119 0.000 1.155 206 Y CA 1.662 59.777 58.100 0.026 0.000 1.164 206 Y CB 0.039 38.495 38.460 -0.007 0.000 0.978 206 Y HN 0.515 nan 8.280 nan 0.000 0.513 207 H N -1.583 117.553 119.070 0.109 0.000 2.491 207 H HA -0.090 4.466 4.556 -0.000 0.000 0.290 207 H C 2.057 177.443 175.328 0.097 0.000 1.050 207 H CA 1.364 57.422 56.048 0.017 0.000 1.309 207 H CB -0.904 28.882 29.762 0.040 0.000 1.392 207 H HN 0.327 nan 8.280 nan 0.000 0.554 208 V N 1.571 121.245 119.914 -0.399 0.000 2.287 208 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 208 V C 3.043 179.123 176.094 -0.023 0.000 1.053 208 V CA 2.054 64.178 62.300 -0.293 0.000 1.027 208 V CB -1.111 30.703 31.823 -0.015 0.000 0.646 208 V HN 0.682 nan 8.190 nan 0.000 0.447 209 G N -2.016 106.820 108.800 0.059 0.000 2.448 209 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 209 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 209 G C 1.393 176.343 174.900 0.084 0.000 1.135 209 G CA 0.399 45.555 45.100 0.093 0.000 0.784 209 G HN 0.570 nan 8.290 nan 0.000 0.543 210 W N 0.933 122.170 121.300 -0.105 0.000 2.619 210 W HA -0.029 4.630 4.660 -0.001 0.000 0.309 210 W C 2.397 178.838 176.519 -0.129 0.000 1.126 210 W CA 1.349 58.624 57.345 -0.117 0.000 1.472 210 W CB -0.433 28.926 29.460 -0.169 0.000 1.164 210 W HN 0.179 nan 8.180 nan 0.000 0.503 211 T N 0.444 115.007 114.554 0.015 0.000 2.620 211 T HA -0.257 4.093 4.350 -0.000 0.000 0.267 211 T C 0.977 175.460 174.700 -0.362 0.000 1.044 211 T CA 1.721 63.700 62.100 -0.201 0.000 1.161 211 T CB -0.674 68.056 68.868 -0.230 0.000 0.862 211 T HN 0.164 nan 8.240 nan 0.000 0.438 212 H N -0.039 119.000 119.070 -0.051 0.000 2.524 212 H HA 0.607 5.163 4.556 -0.000 0.000 0.299 212 H C 1.894 177.164 175.328 -0.096 0.000 1.074 212 H CA 0.170 56.176 56.048 -0.070 0.000 1.115 212 H CB -0.418 29.313 29.762 -0.053 0.000 1.522 212 H HN 0.351 nan 8.280 nan 0.000 0.543 213 A N 1.393 124.156 122.820 -0.094 0.000 1.873 213 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 213 A C 2.628 180.159 177.584 -0.088 0.000 1.193 213 A CA 2.005 53.964 52.037 -0.131 0.000 0.629 213 A CB -0.694 18.128 19.000 -0.296 0.000 0.826 213 A HN 0.466 nan 8.150 nan 0.000 0.447 214 A N -0.420 122.345 122.820 -0.092 0.000 1.877 214 A HA 0.141 4.461 4.320 -0.000 0.000 0.216 214 A C 2.556 180.118 177.584 -0.037 0.000 1.186 214 A CA 2.413 54.411 52.037 -0.066 0.000 0.620 214 A CB -1.147 17.813 19.000 -0.066 0.000 0.822 214 A HN 1.180 nan 8.150 nan 0.000 0.443 215 A N -0.317 122.493 122.820 -0.017 0.000 1.902 215 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 215 A C 2.172 179.744 177.584 -0.021 0.000 1.181 215 A CA 1.468 53.492 52.037 -0.022 0.000 0.623 215 A CB -0.628 18.352 19.000 -0.033 0.000 0.818 215 A HN 0.479 nan 8.150 nan 0.000 0.443 216 L N -0.671 120.549 121.223 -0.005 0.000 2.046 216 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 216 L C 2.852 179.716 176.870 -0.010 0.000 1.077 216 L CA 1.111 55.949 54.840 -0.004 0.000 0.747 216 L CB -1.028 41.038 42.059 0.010 0.000 0.896 216 L HN 0.504 nan 8.230 nan 0.000 0.432 217 G N -0.779 108.010 108.800 -0.018 0.000 2.476 217 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 217 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 217 G C 1.532 176.422 174.900 -0.015 0.000 1.164 217 G CA 0.414 45.502 45.100 -0.020 0.000 0.768 217 G HN 0.273 nan 8.290 nan 0.000 0.560 218 Q N -0.086 119.703 119.800 -0.018 0.000 2.167 218 Q HA 0.067 4.407 4.340 -0.000 0.000 0.202 218 Q C 2.722 178.716 176.000 -0.010 0.000 0.970 218 Q CA 0.512 56.306 55.803 -0.016 0.000 0.855 218 Q CB -0.174 28.551 28.738 -0.021 0.000 0.911 218 Q HN 0.486 nan 8.270 nan 0.000 0.438 219 I N -0.773 119.791 120.570 -0.010 0.000 2.406 219 I HA -0.055 4.115 4.170 -0.000 0.000 0.249 219 I C 1.492 177.613 176.117 0.006 0.000 1.122 219 I CA 1.260 62.557 61.300 -0.004 0.000 1.431 219 I CB -0.999 36.997 38.000 -0.007 0.000 1.087 219 I HN 0.227 nan 8.210 nan 0.000 0.424 220 G N 0.569 109.371 108.800 0.004 0.000 2.528 220 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.262 220 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.262 220 G C 0.549 175.458 174.900 0.015 0.000 1.200 220 G CA 0.009 45.115 45.100 0.010 0.000 0.951 220 G HN 1.082 nan 8.290 nan 0.000 0.566 221 G N -1.212 107.600 108.800 0.021 0.000 2.645 221 G HA2 0.123 4.083 3.960 -0.000 0.000 0.246 221 G HA3 0.123 4.083 3.960 -0.000 0.000 0.246 221 G C -0.629 174.285 174.900 0.024 0.000 1.322 221 G CA 0.940 46.055 45.100 0.026 0.000 0.898 221 G HN 1.358 nan 8.290 nan 0.000 0.573 222 P HA 0.057 nan 4.420 nan 0.000 0.216 222 P C 2.172 179.481 177.300 0.016 0.000 1.153 222 P CA 1.381 64.496 63.100 0.025 0.000 0.848 222 P CB -0.086 31.631 31.700 0.028 0.000 0.787 223 L N -1.240 119.984 121.223 0.001 0.000 2.362 223 L HA -0.052 4.288 4.340 -0.000 0.000 0.219 223 L C 2.343 179.219 176.870 0.011 0.000 1.134 223 L CA 0.930 55.764 54.840 -0.011 0.000 0.807 223 L CB -1.013 41.018 42.059 -0.047 0.000 0.927 223 L HN -0.061 nan 8.230 nan 0.000 0.447 224 A N 0.701 123.529 122.820 0.015 0.000 2.015 224 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 224 A C 2.435 180.036 177.584 0.028 0.000 1.163 224 A CA 1.364 53.411 52.037 0.018 0.000 0.646 224 A CB -1.046 17.962 19.000 0.013 0.000 0.806 224 A HN 0.424 nan 8.150 nan 0.000 0.448 225 G N -0.067 108.754 108.800 0.035 0.000 2.485 225 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.221 225 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.221 225 G C 1.439 176.376 174.900 0.063 0.000 1.115 225 G CA 1.080 46.208 45.100 0.047 0.000 0.751 225 G HN 0.474 nan 8.290 nan 0.000 0.567 226 L N 0.621 121.885 121.223 0.069 0.000 2.291 226 L HA 0.178 4.518 4.340 -0.000 0.000 0.214 226 L C 2.144 179.067 176.870 0.090 0.000 1.120 226 L CA -0.054 54.846 54.840 0.099 0.000 0.799 226 L CB -0.346 41.783 42.059 0.116 0.000 0.925 226 L HN 0.258 nan 8.230 nan 0.000 0.446 227 A N -0.025 122.828 122.820 0.055 0.000 2.567 227 A HA 0.317 4.637 4.320 -0.000 0.000 0.240 227 A C 1.453 179.062 177.584 0.041 0.000 1.053 227 A CA 0.699 52.752 52.037 0.027 0.000 0.755 227 A CB -0.320 18.677 19.000 -0.006 0.000 0.978 227 A HN 0.596 nan 8.150 nan 0.000 0.507 228 G N 1.894 110.712 108.800 0.030 0.000 2.205 228 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.261 228 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.261 228 G C 0.391 175.473 174.900 0.304 0.000 0.980 228 G CA 0.528 45.694 45.100 0.111 0.000 0.632 228 G HN 1.642 nan 8.290 nan 0.000 0.533 229 N N -0.711 118.132 118.700 0.239 0.000 2.696 229 N HA -0.164 4.576 4.740 -0.000 0.000 0.256 229 N C 0.456 176.077 175.510 0.184 0.000 1.031 229 N CA 1.884 55.071 53.050 0.229 0.000 0.730 229 N CB -0.897 37.737 38.487 0.244 0.000 0.894 229 N HN 1.274 nan 8.380 nan 0.000 0.544 230 R N -1.345 119.241 120.500 0.144 0.000 2.589 230 R HA 0.781 5.121 4.340 -0.000 0.000 0.293 230 R C 0.104 176.455 176.300 0.085 0.000 0.963 230 R CA -0.561 55.604 56.100 0.110 0.000 0.905 230 R CB 1.158 31.516 30.300 0.097 0.000 1.144 230 R HN 0.063 nan 8.270 nan 0.000 0.459 231 A N 3.474 126.334 122.820 0.067 0.000 2.569 231 A HA -0.007 4.313 4.320 -0.000 0.000 0.288 231 A C -0.416 177.198 177.584 0.049 0.000 1.326 231 A CA 0.148 52.215 52.037 0.051 0.000 0.978 231 A CB -0.950 18.072 19.000 0.037 0.000 1.054 231 A HN 0.801 nan 8.150 nan 0.000 0.558 238 L N -0.685 120.631 121.223 0.155 0.000 3.898 238 L HA -0.212 4.128 4.340 -0.000 0.000 0.382 238 L C 1.100 178.069 176.870 0.166 0.000 0.711 238 L CA 1.414 56.351 54.840 0.162 0.000 2.828 238 L CB -1.428 40.763 42.059 0.220 0.000 0.852 238 L HN 0.690 nan 8.230 nan 0.000 0.694 239 G N -1.309 107.610 108.800 0.198 0.000 2.404 239 G HA2 0.472 4.432 3.960 -0.000 0.000 0.253 239 G HA3 0.472 4.432 3.960 -0.000 0.000 0.253 239 G C -1.838 173.163 174.900 0.169 0.000 1.253 239 G CA -0.254 44.965 45.100 0.197 0.000 0.917 239 G HN 0.054 nan 8.290 nan 0.000 0.480 240 L N -0.310 120.975 121.223 0.103 0.000 2.479 240 L HA 0.638 4.978 4.340 -0.000 0.000 0.255 240 L C -0.773 175.903 176.870 -0.324 0.000 1.026 240 L CA -0.873 53.868 54.840 -0.165 0.000 0.842 240 L CB 2.625 44.418 42.059 -0.443 0.000 1.444 240 L HN 0.679 nan 8.230 nan 0.000 0.409 241 Q N 0.633 120.093 119.800 -0.568 0.000 2.377 241 Q HA 0.709 5.049 4.340 -0.000 0.000 0.271 241 Q C -1.800 173.624 176.000 -0.960 0.000 1.077 241 Q CA -0.522 54.951 55.803 -0.549 0.000 0.820 241 Q CB 3.052 31.628 28.738 -0.270 0.000 1.347 241 Q HN 0.272 nan 8.270 nan 0.000 0.444 242 F N -0.190 119.393 119.950 -0.613 0.000 2.565 242 F HA 0.685 5.212 4.527 0.000 0.000 0.313 242 F C 0.107 175.725 175.800 -0.302 0.000 1.091 242 F CA -0.624 57.014 58.000 -0.602 0.000 0.915 242 F CB 2.706 40.986 39.000 -1.199 0.000 1.208 242 F HN 0.387 nan 8.300 nan 0.000 0.453 243 T N 0.617 115.182 114.554 0.018 0.000 2.843 243 T HA 0.755 5.105 4.350 -0.000 0.000 0.302 243 T C -0.889 173.875 174.700 0.108 0.000 1.232 243 T CA -0.359 61.778 62.100 0.063 0.000 1.009 243 T CB 1.641 70.558 68.868 0.081 0.000 1.254 243 T HN 0.867 nan 8.240 nan 0.000 0.504 244 T N 0.000 114.503 114.554 -0.086 0.000 2.778 244 T HA 0.502 4.851 4.350 -0.000 0.000 0.293 244 T C 0.944 174.958 174.700 -1.143 0.000 1.144 244 T CA -0.895 60.962 62.100 -0.404 0.000 1.010 244 T CB 1.611 70.374 68.868 -0.176 0.000 1.325 244 T HN 0.459 nan 8.240 nan 0.000 0.515 245 R N 0.144 119.591 120.500 -1.756 0.000 2.081 245 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 245 R C 0.714 176.040 176.300 -1.622 0.000 1.131 245 R CA 1.705 56.476 56.100 -2.215 0.000 0.960 245 R CB -0.843 28.271 30.300 -1.976 0.000 0.856 245 R HN 0.846 nan 8.270 nan 0.000 0.436 246 H N -1.339 116.862 119.070 -1.449 0.000 2.605 246 H HA 0.234 4.790 4.556 -0.000 0.000 0.308 246 H C 0.930 174.966 175.328 -2.153 0.000 1.080 246 H CA 0.343 55.005 56.048 -2.309 0.000 1.119 246 H CB 0.444 29.197 29.762 -1.682 0.000 1.479 246 H HN 0.581 nan 8.280 nan 0.000 0.537 247 G N 0.342 108.409 108.800 -1.222 0.000 2.225 247 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 247 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 247 G C 0.071 174.815 174.900 -0.260 0.000 0.988 247 G CA -0.180 44.581 45.100 -0.565 0.000 0.625 247 G HN 0.484 nan 8.290 nan 0.000 0.527 248 H N 1.130 120.007 119.070 -0.322 0.000 2.815 248 H HA 0.519 5.075 4.556 -0.000 0.000 0.350 248 H C 0.833 175.884 175.328 -0.461 0.000 1.080 248 H CA 0.921 56.633 56.048 -0.559 0.000 1.433 248 H CB 1.060 29.943 29.762 -1.465 0.000 1.432 248 H HN 0.864 nan 8.280 nan 0.000 0.592 249 G N 1.091 109.838 108.800 -0.088 0.000 2.608 249 G HA2 0.518 4.478 3.960 -0.000 0.000 0.291 249 G HA3 0.518 4.478 3.960 -0.000 0.000 0.291 249 G C -1.791 173.401 174.900 0.486 0.000 1.425 249 G CA -0.875 44.345 45.100 0.200 0.000 0.787 249 G HN 0.542 nan 8.290 nan 0.000 0.484 250 F N -2.048 118.019 119.950 0.197 0.000 2.770 250 F HA 0.814 5.341 4.527 0.000 0.000 0.313 250 F C -0.171 175.742 175.800 0.187 0.000 1.154 250 F CA -0.976 57.132 58.000 0.179 0.000 0.923 250 F CB 1.083 40.212 39.000 0.216 0.000 1.301 250 F HN 0.945 nan 8.300 nan 0.000 0.449 251 G N 0.470 109.460 108.800 0.316 0.000 2.417 251 G HA2 0.632 4.592 3.960 -0.000 0.000 0.334 251 G HA3 0.632 4.592 3.960 -0.000 0.000 0.334 251 G C -2.061 173.173 174.900 0.556 0.000 1.150 251 G CA -1.185 44.125 45.100 0.350 0.000 0.923 251 G HN 1.157 nan 8.290 nan 0.000 0.485 252 V N 2.497 122.671 119.914 0.434 0.000 2.638 252 V HA 0.573 4.693 4.120 -0.000 0.000 0.306 252 V C -0.780 175.396 176.094 0.137 0.000 1.052 252 V CA -0.929 61.554 62.300 0.305 0.000 0.885 252 V CB 1.614 33.558 31.823 0.203 0.000 0.999 252 V HN 0.613 nan 8.190 nan 0.000 0.424 253 I N 6.116 126.668 120.570 -0.030 0.000 2.307 253 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 253 I C 0.083 176.258 176.117 0.096 0.000 1.021 253 I CA -0.525 60.698 61.300 -0.127 0.000 1.224 253 I CB 0.967 38.764 38.000 -0.338 0.000 1.376 253 I HN 0.552 nan 8.210 nan 0.000 0.470 254 D N 6.836 127.309 120.400 0.121 0.000 2.506 254 D HA -0.081 4.559 4.640 -0.000 0.000 0.234 254 D C 0.742 177.126 176.300 0.140 0.000 1.143 254 D CA 0.853 54.949 54.000 0.159 0.000 0.871 254 D CB 0.378 41.270 40.800 0.153 0.000 1.190 254 D HN 0.561 nan 8.370 nan 0.000 0.459 255 N N 0.602 119.397 118.700 0.158 0.000 2.753 255 N HA -0.238 4.502 4.740 -0.000 0.000 0.251 255 N C 0.175 175.747 175.510 0.102 0.000 1.097 255 N CA 1.051 54.173 53.050 0.120 0.000 0.786 255 N CB -0.987 37.557 38.487 0.096 0.000 1.137 255 N HN 0.538 nan 8.380 nan 0.000 0.566 256 A N -0.991 121.912 122.820 0.138 0.000 2.503 256 A HA 0.660 4.980 4.320 -0.000 0.000 0.263 256 A C 1.941 179.642 177.584 0.194 0.000 1.258 256 A CA 0.899 53.015 52.037 0.131 0.000 0.936 256 A CB 0.187 19.247 19.000 0.099 0.000 1.070 256 A HN 0.377 nan 8.150 nan 0.000 0.522 257 A N 0.561 123.478 122.820 0.162 0.000 1.884 257 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 257 A C 2.152 179.870 177.584 0.223 0.000 1.197 257 A CA 2.050 54.163 52.037 0.126 0.000 0.637 257 A CB -0.770 18.158 19.000 -0.121 0.000 0.827 257 A HN 1.257 nan 8.150 nan 0.000 0.450 258 A N -1.012 121.862 122.820 0.090 0.000 2.302 258 A HA 0.549 4.869 4.320 -0.000 0.000 0.219 258 A C 1.982 179.737 177.584 0.286 0.000 1.243 258 A CA 1.065 53.227 52.037 0.209 0.000 0.856 258 A CB -0.735 18.241 19.000 -0.039 0.000 0.893 258 A HN 1.007 nan 8.150 nan 0.000 0.491 259 A N -0.013 122.935 122.820 0.213 0.000 2.024 259 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 259 A C 1.887 179.544 177.584 0.122 0.000 1.164 259 A CA 1.540 53.653 52.037 0.127 0.000 0.643 259 A CB -0.379 18.656 19.000 0.058 0.000 0.806 259 A HN 0.543 nan 8.150 nan 0.000 0.451 260 I N -1.282 119.385 120.570 0.163 0.000 2.876 260 I HA -0.040 4.130 4.170 -0.000 0.000 0.264 260 I C 0.116 176.263 176.117 0.050 0.000 1.204 260 I CA 0.025 61.373 61.300 0.081 0.000 1.485 260 I CB -0.050 37.989 38.000 0.065 0.000 1.103 260 I HN 0.288 nan 8.210 nan 0.000 0.446 261 H N 0.899 120.046 119.070 0.129 0.000 3.145 261 H HA 0.109 4.664 4.556 -0.000 0.000 0.263 261 H C 1.060 176.442 175.328 0.090 0.000 1.057 261 H CA 0.277 56.400 56.048 0.124 0.000 1.477 261 H CB 0.309 30.191 29.762 0.201 0.000 1.529 261 H HN 0.072 nan 8.280 nan 0.000 0.508 262 R N 2.116 122.681 120.500 0.108 0.000 2.193 262 R HA 0.006 4.346 4.340 -0.000 0.000 0.213 262 R C 1.076 177.430 176.300 0.090 0.000 1.055 262 R CA 0.977 57.125 56.100 0.080 0.000 0.995 262 R CB 0.361 30.683 30.300 0.037 0.000 0.893 262 R HN 0.471 nan 8.270 nan 0.000 0.459 263 K N -2.572 117.899 120.400 0.118 0.000 2.598 263 K HA 0.136 4.456 4.320 -0.000 0.000 0.214 263 K C 0.544 177.208 176.600 0.106 0.000 1.575 263 K CA 0.606 56.951 56.287 0.096 0.000 1.042 263 K CB 1.903 34.442 32.500 0.066 0.000 1.338 263 K HN 0.228 nan 8.250 nan 0.000 0.590 264 G N 1.451 110.340 108.800 0.147 0.000 2.213 264 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 264 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 264 G C 0.453 175.457 174.900 0.174 0.000 0.992 264 G CA 0.479 45.717 45.100 0.230 0.000 0.632 264 G HN 0.345 nan 8.290 nan 0.000 0.511 265 D N 0.771 121.243 120.400 0.120 0.000 2.333 265 D HA 0.067 4.707 4.640 -0.000 0.000 0.208 265 D C 2.368 178.721 176.300 0.089 0.000 0.984 265 D CA 1.231 55.282 54.000 0.085 0.000 0.873 265 D CB -0.336 40.501 40.800 0.062 0.000 0.935 265 D HN 0.421 nan 8.370 nan 0.000 0.521 266 G N 0.671 109.540 108.800 0.116 0.000 2.418 266 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 266 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 266 G C 1.532 176.556 174.900 0.208 0.000 1.158 266 G CA 0.329 45.511 45.100 0.137 0.000 0.771 266 G HN 0.411 nan 8.290 nan 0.000 0.545 267 W N 1.407 122.673 121.300 -0.056 0.000 2.358 267 W HA -0.121 4.539 4.660 -0.000 0.000 0.303 267 W C 2.211 178.701 176.519 -0.048 0.000 1.208 267 W CA 1.030 58.302 57.345 -0.122 0.000 1.274 267 W CB -0.134 29.102 29.460 -0.372 0.000 1.138 267 W HN 0.276 nan 8.180 nan 0.000 0.515 268 N N 1.460 120.065 118.700 -0.159 0.000 2.120 268 N HA -0.261 4.479 4.740 -0.000 0.000 0.188 268 N C 1.899 177.317 175.510 -0.153 0.000 1.024 268 N CA 1.759 54.652 53.050 -0.261 0.000 0.852 268 N CB -0.499 37.914 38.487 -0.123 0.000 1.003 268 N HN 0.220 nan 8.380 nan 0.000 0.424 269 K N -0.255 120.124 120.400 -0.036 0.000 2.063 269 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 269 K C 2.161 178.757 176.600 -0.006 0.000 1.048 269 K CA 1.204 57.488 56.287 -0.005 0.000 0.928 269 K CB -0.399 32.122 32.500 0.035 0.000 0.713 269 K HN 0.212 nan 8.250 nan 0.000 0.442 270 Y N 1.544 121.807 120.300 -0.062 0.000 2.128 270 Y HA -0.255 4.294 4.550 -0.000 0.000 0.284 270 Y C 1.822 177.667 175.900 -0.091 0.000 1.154 270 Y CA 1.821 59.905 58.100 -0.026 0.000 1.149 270 Y CB -0.182 38.328 38.460 0.084 0.000 0.976 270 Y HN 0.023 nan 8.280 nan 0.000 0.505 271 L N -0.278 120.851 121.223 -0.157 0.000 2.017 271 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 271 L C 2.531 179.363 176.870 -0.063 0.000 1.073 271 L CA 1.519 56.230 54.840 -0.215 0.000 0.745 271 L CB -0.633 41.112 42.059 -0.524 0.000 0.894 271 L HN 0.200 nan 8.230 nan 0.000 0.432 272 E N 0.140 120.282 120.200 -0.096 0.000 2.077 272 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 272 E C 1.761 178.331 176.600 -0.050 0.000 0.989 272 E CA 1.238 57.610 56.400 -0.047 0.000 0.800 272 E CB -0.317 29.355 29.700 -0.047 0.000 0.746 272 E HN 0.462 nan 8.360 nan 0.000 0.452 273 D N -0.547 119.794 120.400 -0.098 0.000 2.312 273 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 273 D C 1.654 177.864 176.300 -0.151 0.000 0.964 273 D CA 1.448 55.374 54.000 -0.123 0.000 0.877 273 D CB 0.044 40.748 40.800 -0.159 0.000 0.924 273 D HN 0.308 nan 8.370 nan 0.000 0.515 274 T N -2.765 111.703 114.554 -0.143 0.000 3.003 274 T HA 0.084 4.434 4.350 -0.000 0.000 0.261 274 T C 1.674 176.328 174.700 -0.076 0.000 1.003 274 T CA -0.448 61.573 62.100 -0.132 0.000 0.917 274 T CB 0.232 68.982 68.868 -0.196 0.000 1.084 274 T HN 0.154 nan 8.240 nan 0.000 0.522 275 R N 1.683 122.210 120.500 0.044 0.000 2.120 275 R HA 0.118 4.458 4.340 -0.000 0.000 0.234 275 R C 2.481 178.747 176.300 -0.056 0.000 1.123 275 R CA 1.512 57.636 56.100 0.041 0.000 0.975 275 R CB -1.317 29.097 30.300 0.190 0.000 0.866 275 R HN 0.331 nan 8.270 nan 0.000 0.446 276 G N 1.385 110.156 108.800 -0.049 0.000 2.442 276 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 276 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 276 G C 1.391 176.233 174.900 -0.096 0.000 1.141 276 G CA 0.938 46.004 45.100 -0.056 0.000 0.763 276 G HN 0.487 nan 8.290 nan 0.000 0.554 277 E N 0.063 120.185 120.200 -0.131 0.000 2.152 277 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 277 E C 2.536 179.003 176.600 -0.221 0.000 0.983 277 E CA 0.679 56.981 56.400 -0.165 0.000 0.818 277 E CB -0.204 29.404 29.700 -0.153 0.000 0.758 277 E HN 0.189 nan 8.360 nan 0.000 0.467 278 V N 0.833 120.596 119.914 -0.253 0.000 2.343 278 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 278 V C 2.582 178.617 176.094 -0.098 0.000 1.051 278 V CA 2.197 64.378 62.300 -0.199 0.000 1.036 278 V CB -0.580 30.960 31.823 -0.472 0.000 0.654 278 V HN 0.290 nan 8.190 nan 0.000 0.451 279 R N -0.090 120.360 120.500 -0.083 0.000 2.091 279 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 279 R C 2.572 178.826 176.300 -0.078 0.000 1.136 279 R CA 1.906 57.983 56.100 -0.039 0.000 0.959 279 R CB -0.303 29.986 30.300 -0.017 0.000 0.856 279 R HN 0.416 nan 8.270 nan 0.000 0.437 280 R N 0.619 121.046 120.500 -0.121 0.000 2.080 280 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 280 R C 1.918 178.086 176.300 -0.221 0.000 1.137 280 R CA 1.904 57.917 56.100 -0.144 0.000 0.943 280 R CB -0.042 30.173 30.300 -0.141 0.000 0.846 280 R HN 0.168 nan 8.270 nan 0.000 0.431 281 K N -1.081 119.088 120.400 -0.384 0.000 2.116 281 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 281 K C 1.509 177.690 176.600 -0.699 0.000 1.052 281 K CA 1.256 57.133 56.287 -0.684 0.000 0.952 281 K CB 0.188 31.962 32.500 -1.209 0.000 0.729 281 K HN 0.243 nan 8.250 nan 0.000 0.446 282 F N -0.227 119.643 119.950 -0.133 0.000 2.728 282 F HA 0.245 4.772 4.527 -0.000 0.000 0.314 282 F C 0.742 176.469 175.800 -0.122 0.000 1.094 282 F CA -0.201 57.699 58.000 -0.166 0.000 1.217 282 F CB 1.394 40.252 39.000 -0.237 0.000 1.056 282 F HN 0.034 nan 8.300 nan 0.000 0.577 283 G N 0.935 109.764 108.800 0.048 0.000 2.712 283 G HA2 0.004 3.964 3.960 -0.000 0.000 0.686 283 G HA3 0.004 3.964 3.960 -0.000 0.000 0.686 283 G C 0.591 175.531 174.900 0.067 0.000 1.321 283 G CA -0.571 44.557 45.100 0.048 0.000 0.813 283 G HN 0.344 nan 8.290 nan 0.000 0.599 284 A N -0.122 122.736 122.820 0.063 0.000 1.933 284 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 284 A C 2.030 179.692 177.584 0.130 0.000 1.175 284 A CA 2.498 54.587 52.037 0.085 0.000 0.628 284 A CB -0.361 18.681 19.000 0.070 0.000 0.814 284 A HN 0.768 nan 8.150 nan 0.000 0.444 285 D N -0.621 119.854 120.400 0.125 0.000 2.218 285 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 285 D C 2.070 178.564 176.300 0.324 0.000 0.976 285 D CA 0.947 55.060 54.000 0.189 0.000 0.853 285 D CB -0.243 40.557 40.800 -0.001 0.000 0.939 285 D HN 0.474 nan 8.370 nan 0.000 0.481 286 R N 0.305 120.930 120.500 0.209 0.000 2.173 286 R HA 0.040 4.380 4.340 -0.000 0.000 0.208 286 R C 2.045 178.461 176.300 0.194 0.000 1.035 286 R CA 0.133 56.325 56.100 0.153 0.000 1.004 286 R CB 0.125 30.364 30.300 -0.101 0.000 0.917 286 R HN 0.218 nan 8.270 nan 0.000 0.462 287 E N 1.599 121.905 120.200 0.176 0.000 2.085 287 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 287 E C 2.032 178.799 176.600 0.278 0.000 0.994 287 E CA 1.165 57.685 56.400 0.199 0.000 0.801 287 E CB 0.055 29.834 29.700 0.132 0.000 0.743 287 E HN 0.158 nan 8.360 nan 0.000 0.453 288 R N 0.426 121.083 120.500 0.262 0.000 2.103 288 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 288 R C 2.460 178.965 176.300 0.341 0.000 1.142 288 R CA 1.603 57.871 56.100 0.280 0.000 0.960 288 R CB -0.295 30.178 30.300 0.288 0.000 0.858 288 R HN 0.259 nan 8.270 nan 0.000 0.439 289 L N -0.761 120.689 121.223 0.378 0.000 2.109 289 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 289 L C 2.360 179.619 176.870 0.649 0.000 1.086 289 L CA 1.094 56.222 54.840 0.481 0.000 0.760 289 L CB -0.586 41.704 42.059 0.385 0.000 0.910 289 L HN 0.273 nan 8.230 nan 0.000 0.437 290 Y N 0.809 121.303 120.300 0.324 0.000 2.315 290 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 290 Y C 2.143 178.260 175.900 0.362 0.000 1.154 290 Y CA 1.491 59.740 58.100 0.249 0.000 1.229 290 Y CB 0.295 38.846 38.460 0.153 0.000 0.980 290 Y HN 0.082 nan 8.280 nan 0.000 0.540 291 V N -2.341 117.769 119.914 0.326 0.000 3.578 291 V HA 0.485 4.605 4.120 -0.000 0.000 0.290 291 V C 0.910 177.142 176.094 0.229 0.000 1.376 291 V CA 0.240 62.639 62.300 0.164 0.000 1.083 291 V CB -0.503 31.402 31.823 0.137 0.000 0.911 291 V HN 0.216 nan 8.190 nan 0.000 0.433 292 G N -0.218 108.827 108.800 0.409 0.000 2.528 292 G HA2 0.463 4.423 3.960 -0.000 0.000 0.289 292 G HA3 0.463 4.423 3.960 -0.000 0.000 0.289 292 G C -1.059 174.192 174.900 0.585 0.000 1.192 292 G CA -0.630 44.741 45.100 0.451 0.000 0.921 292 G HN 0.633 nan 8.290 nan 0.000 0.512 293 H N -0.240 119.083 119.070 0.422 0.000 2.519 293 H HA 0.491 5.047 4.556 0.000 0.000 0.316 293 H C -1.058 174.647 175.328 0.628 0.000 1.065 293 H CA -0.706 55.582 56.048 0.399 0.000 1.264 293 H CB 0.563 30.425 29.762 0.167 0.000 1.413 293 H HN 0.387 nan 8.280 nan 0.000 0.465 294 W N 3.575 124.908 121.300 0.055 0.000 2.627 294 W HA 0.275 4.935 4.660 -0.000 0.000 0.339 294 W C -0.544 176.057 176.519 0.136 0.000 1.058 294 W CA -1.414 56.090 57.345 0.265 0.000 1.223 294 W CB 0.270 29.896 29.460 0.277 0.000 1.389 294 W HN 0.720 nan 8.180 nan 0.000 0.541 295 N N 0.718 119.728 118.700 0.516 0.000 2.407 295 N HA 0.783 5.523 4.740 -0.000 0.000 0.277 295 N C -0.339 175.304 175.510 0.222 0.000 0.995 295 N CA -0.633 52.593 53.050 0.295 0.000 0.903 295 N CB 2.116 40.780 38.487 0.295 0.000 1.218 295 N HN 0.515 nan 8.380 nan 0.000 0.487 296 G N 0.027 108.705 108.800 -0.203 0.000 2.694 296 G HA2 0.831 4.791 3.960 -0.000 0.000 0.290 296 G HA3 0.831 4.791 3.960 -0.000 0.000 0.290 296 G C -1.753 173.003 174.900 -0.241 0.000 1.386 296 G CA -0.990 43.990 45.100 -0.199 0.000 0.872 296 G HN 0.820 nan 8.290 nan 0.000 0.475 297 A N -0.387 122.503 122.820 0.117 0.000 2.539 297 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 297 A C -1.075 176.741 177.584 0.386 0.000 1.073 297 A CA -0.602 51.579 52.037 0.240 0.000 0.700 297 A CB 1.288 20.393 19.000 0.175 0.000 1.296 297 A HN 0.677 nan 8.150 nan 0.000 0.405 298 I N 1.872 122.730 120.570 0.480 0.000 2.330 298 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 298 I C -0.381 176.128 176.117 0.654 0.000 1.001 298 I CA -0.383 61.232 61.300 0.525 0.000 1.193 298 I CB 1.028 39.351 38.000 0.537 0.000 1.345 298 I HN 0.699 nan 8.210 nan 0.000 0.461 299 F N 10.157 130.499 119.950 0.653 0.000 2.607 299 F HA 0.127 4.654 4.527 -0.000 0.000 0.374 299 F C -1.388 174.777 175.800 0.607 0.000 1.104 299 F CA -0.950 57.368 58.000 0.531 0.000 1.296 299 F CB 0.783 39.934 39.000 0.250 0.000 1.085 299 F HN 0.373 nan 8.300 nan 0.000 0.584 300 P HA -0.045 nan 4.420 nan 0.000 0.220 300 P C -0.285 177.105 177.300 0.150 0.000 1.154 300 P CA 1.033 63.767 63.100 -0.610 0.000 0.837 300 P CB 0.234 31.364 31.700 -0.950 0.000 0.815 301 N N -1.318 117.535 118.700 0.255 0.000 2.387 301 N HA 0.057 4.797 4.740 -0.000 0.000 0.259 301 N C -1.083 174.637 175.510 0.350 0.000 1.369 301 N CA -0.435 52.845 53.050 0.383 0.000 0.867 301 N CB -0.951 37.766 38.487 0.384 0.000 1.341 301 N HN -0.021 nan 8.380 nan 0.000 0.495 302 C N 1.659 121.137 119.300 0.296 0.000 2.322 302 C HA 0.868 5.328 4.460 -0.000 0.000 0.324 302 C C 0.343 175.441 174.990 0.179 0.000 1.284 302 C CA -0.171 58.939 59.018 0.154 0.000 1.606 302 C CB 0.057 27.875 27.740 0.130 0.000 2.251 302 C HN 0.534 nan 8.230 nan 0.000 0.502 303 S N 4.559 120.287 115.700 0.047 0.000 2.634 303 S HA 0.966 5.436 4.470 -0.000 0.000 0.296 303 S C -0.895 173.690 174.600 -0.025 0.000 1.104 303 S CA -0.568 57.638 58.200 0.010 0.000 0.920 303 S CB 1.710 64.829 63.200 -0.134 0.000 1.111 303 S HN 1.493 nan 8.310 nan 0.000 0.493 304 F N -1.355 118.660 119.950 0.108 0.000 2.693 304 F HA 0.704 5.231 4.527 0.000 0.000 0.309 304 F C -2.226 173.789 175.800 0.359 0.000 1.129 304 F CA -1.437 56.674 58.000 0.184 0.000 0.948 304 F CB 0.947 40.095 39.000 0.246 0.000 1.315 304 F HN 0.554 nan 8.300 nan 0.000 0.447 305 L N 3.253 124.715 121.223 0.398 0.000 2.298 305 L HA 0.404 4.744 4.340 -0.000 0.000 0.284 305 L C -1.215 175.813 176.870 0.262 0.000 1.013 305 L CA -0.940 54.022 54.840 0.203 0.000 0.824 305 L CB 1.623 43.694 42.059 0.020 0.000 1.221 305 L HN 0.809 nan 8.230 nan 0.000 0.418 306 Y N 2.975 123.341 120.300 0.111 0.000 2.316 306 Y HA 0.563 5.113 4.550 -0.000 0.000 0.331 306 Y C 0.957 176.740 175.900 -0.196 0.000 1.083 306 Y CA 1.169 59.211 58.100 -0.098 0.000 1.206 306 Y CB 1.363 39.509 38.460 -0.524 0.000 1.195 306 Y HN 0.790 nan 8.280 nan 0.000 0.497 307 G N 3.017 111.430 108.800 -0.645 0.000 3.597 307 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.202 307 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.202 307 G C 1.028 176.071 174.900 0.238 0.000 1.702 307 G CA 0.178 45.213 45.100 -0.109 0.000 1.354 307 G HN 0.586 nan 8.290 nan 0.000 0.609 308 T N 1.580 116.307 114.554 0.288 0.000 2.759 308 T HA -0.002 4.348 4.350 -0.000 0.000 0.269 308 T C 1.270 176.051 174.700 0.135 0.000 1.042 308 T CA 1.922 64.213 62.100 0.318 0.000 1.140 308 T CB -0.376 68.697 68.868 0.343 0.000 0.864 308 T HN 0.939 nan 8.240 nan 0.000 0.455 309 N N 0.464 119.178 118.700 0.024 0.000 2.815 309 N HA -0.116 4.624 4.740 -0.000 0.000 0.249 309 N C -0.154 175.407 175.510 0.084 0.000 1.114 309 N CA 0.875 53.908 53.050 -0.029 0.000 0.717 309 N CB -1.898 36.398 38.487 -0.317 0.000 1.074 309 N HN 0.439 nan 8.380 nan 0.000 0.555 310 T N -0.563 114.084 114.554 0.156 0.000 2.913 310 T HA 0.622 4.972 4.350 -0.000 0.000 0.287 310 T C -0.780 174.138 174.700 0.362 0.000 1.008 310 T CA -0.238 61.997 62.100 0.226 0.000 1.067 310 T CB 0.435 69.433 68.868 0.217 0.000 0.996 310 T HN 0.189 nan 8.240 nan 0.000 0.513 311 F N 3.091 123.146 119.950 0.175 0.000 2.607 311 F HA 0.566 5.093 4.527 -0.000 0.000 0.322 311 F C -0.850 175.040 175.800 0.150 0.000 1.176 311 F CA -0.751 57.383 58.000 0.224 0.000 0.977 311 F CB 1.270 40.408 39.000 0.230 0.000 1.242 311 F HN 0.489 nan 8.300 nan 0.000 0.465 312 K N 6.506 126.745 120.400 -0.267 0.000 2.375 312 K HA 0.743 5.063 4.320 -0.000 0.000 0.249 312 K C -1.660 174.637 176.600 -0.506 0.000 0.942 312 K CA -0.948 55.096 56.287 -0.405 0.000 0.806 312 K CB 2.920 34.995 32.500 -0.709 0.000 1.227 312 K HN 0.459 nan 8.250 nan 0.000 0.430 313 I N 1.026 121.298 120.570 -0.495 0.000 2.498 313 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 313 I C -1.346 174.316 176.117 -0.757 0.000 1.032 313 I CA -0.360 60.655 61.300 -0.475 0.000 1.073 313 I CB 1.180 38.986 38.000 -0.324 0.000 1.251 313 I HN 0.474 nan 8.210 nan 0.000 0.426 314 W N 5.204 126.304 121.300 -0.333 0.000 2.298 314 W HA 0.425 5.085 4.660 0.000 0.000 0.327 314 W C -0.136 176.246 176.519 -0.229 0.000 0.988 314 W CA -0.418 56.806 57.345 -0.202 0.000 1.448 314 W CB 0.336 29.803 29.460 0.012 0.000 1.243 314 W HN 0.331 nan 8.180 nan 0.000 0.388 315 H N 4.289 123.370 119.070 0.018 0.000 2.723 315 H HA 0.182 4.738 4.556 -0.000 0.000 0.294 315 H C -1.945 173.291 175.328 -0.154 0.000 1.079 315 H CA -2.139 53.799 56.048 -0.184 0.000 1.411 315 H CB 0.526 30.052 29.762 -0.393 0.000 1.439 315 H HN 0.086 nan 8.280 nan 0.000 0.474 316 P HA 0.080 nan 4.420 nan 0.000 0.269 316 P C -0.142 177.114 177.300 -0.075 0.000 1.209 316 P CA -0.174 62.893 63.100 -0.055 0.000 0.776 316 P CB 1.099 32.664 31.700 -0.225 0.000 0.876 317 R N 1.914 122.393 120.500 -0.036 0.000 2.738 317 R HA 0.504 4.844 4.340 -0.000 0.000 0.280 317 R C 0.355 176.541 176.300 -0.190 0.000 1.456 317 R CA -0.224 55.824 56.100 -0.087 0.000 1.612 317 R CB 0.493 30.764 30.300 -0.049 0.000 1.286 317 R HN 0.906 nan 8.270 nan 0.000 0.660 318 G N 1.892 110.444 108.800 -0.412 0.000 2.795 318 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.664 318 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.664 318 G C -2.015 172.219 174.900 -1.110 0.000 1.381 318 G CA -0.888 43.622 45.100 -0.982 0.000 0.853 318 G HN 0.193 nan 8.290 nan 0.000 0.545 319 P HA -0.030 nan 4.420 nan 0.000 0.226 319 P C 0.731 177.814 177.300 -0.361 0.000 1.153 319 P CA 1.691 64.384 63.100 -0.678 0.000 0.777 319 P CB -0.151 31.075 31.700 -0.790 0.000 0.794 320 H N -1.984 116.914 119.070 -0.287 0.000 2.674 320 H HA 0.401 4.957 4.556 -0.000 0.000 0.274 320 H C 0.378 175.744 175.328 0.063 0.000 1.121 320 H CA -0.426 55.505 56.048 -0.195 0.000 1.132 320 H CB 0.942 30.465 29.762 -0.399 0.000 1.606 320 H HN 0.159 nan 8.280 nan 0.000 0.558 321 E N 1.610 121.890 120.200 0.133 0.000 2.390 321 E HA 0.422 4.772 4.350 -0.000 0.000 0.277 321 E C -1.525 175.164 176.600 0.149 0.000 0.939 321 E CA -1.117 55.402 56.400 0.197 0.000 0.769 321 E CB 2.214 32.038 29.700 0.208 0.000 1.251 321 E HN 0.199 nan 8.360 nan 0.000 0.450 322 I N -0.894 119.781 120.570 0.175 0.000 3.042 322 I HA 0.594 4.764 4.170 -0.000 0.000 0.310 322 I C -1.093 175.111 176.117 0.145 0.000 1.117 322 I CA -0.679 60.730 61.300 0.183 0.000 1.003 322 I CB 1.990 40.184 38.000 0.324 0.000 1.228 322 I HN 0.490 nan 8.210 nan 0.000 0.443 323 E N 2.312 122.591 120.200 0.132 0.000 2.191 323 E HA 0.603 4.953 4.350 -0.000 0.000 0.263 323 E C -1.862 174.851 176.600 0.189 0.000 0.881 323 E CA -0.916 55.585 56.400 0.168 0.000 0.757 323 E CB 2.162 31.959 29.700 0.161 0.000 1.147 323 E HN 0.727 nan 8.360 nan 0.000 0.414 324 V N 5.963 125.950 119.914 0.121 0.000 2.435 324 V HA 0.501 4.621 4.120 -0.000 0.000 0.290 324 V C -1.391 174.755 176.094 0.088 0.000 1.030 324 V CA -0.472 61.728 62.300 -0.166 0.000 0.881 324 V CB 0.573 32.010 31.823 -0.643 0.000 0.983 324 V HN 0.648 nan 8.190 nan 0.000 0.445 325 W N 3.567 124.658 121.300 -0.349 0.000 2.478 325 W HA 0.687 5.347 4.660 -0.000 0.000 0.318 325 W C 0.010 176.336 176.519 -0.321 0.000 1.062 325 W CA -0.751 56.445 57.345 -0.249 0.000 1.210 325 W CB 1.691 31.111 29.460 -0.067 0.000 1.325 325 W HN 0.479 nan 8.180 nan 0.000 0.496 326 T N 3.966 118.428 114.554 -0.154 0.000 2.815 326 T HA 0.468 4.818 4.350 -0.000 0.000 0.289 326 T C -0.907 173.699 174.700 -0.156 0.000 1.000 326 T CA -0.386 61.654 62.100 -0.099 0.000 0.958 326 T CB 0.547 69.372 68.868 -0.071 0.000 0.944 326 T HN 0.077 nan 8.240 nan 0.000 0.442 327 Y N 0.733 121.128 120.300 0.158 0.000 2.654 327 Y HA 0.629 5.179 4.550 -0.000 0.000 0.327 327 Y C 1.071 177.025 175.900 0.090 0.000 1.122 327 Y CA -1.005 57.157 58.100 0.104 0.000 1.227 327 Y CB 1.375 39.899 38.460 0.105 0.000 1.370 327 Y HN 0.391 nan 8.280 nan 0.000 0.528 328 T N 2.297 116.960 114.554 0.182 0.000 2.823 328 T HA 0.455 4.805 4.350 -0.000 0.000 0.279 328 T C -0.428 174.236 174.700 -0.060 0.000 0.998 328 T CA -0.757 61.377 62.100 0.055 0.000 0.994 328 T CB 0.595 69.452 68.868 -0.018 0.000 0.960 328 T HN 0.334 nan 8.240 nan 0.000 0.448 329 M N 3.570 123.118 119.600 -0.086 0.000 2.188 329 M HA 0.558 5.038 4.480 -0.000 0.000 0.357 329 M C -0.221 175.887 176.300 -0.321 0.000 1.204 329 M CA -0.735 54.440 55.300 -0.210 0.000 1.095 329 M CB 1.059 33.603 32.600 -0.093 0.000 1.604 329 M HN 0.498 nan 8.290 nan 0.000 0.464 330 V N 1.785 121.487 119.914 -0.354 0.000 3.078 330 V HA 0.726 4.846 4.120 -0.000 0.000 0.311 330 V C -3.031 172.854 176.094 -0.349 0.000 1.138 330 V CA -2.592 59.469 62.300 -0.399 0.000 1.007 330 V CB 1.798 33.431 31.823 -0.317 0.000 1.045 330 V HN 0.580 nan 8.190 nan 0.000 0.432 331 P HA 0.240 nan 4.420 nan 0.000 0.271 331 P C 0.982 178.154 177.300 -0.215 0.000 1.220 331 P CA 0.276 63.194 63.100 -0.303 0.000 0.768 331 P CB 1.174 32.428 31.700 -0.745 0.000 0.848 332 S N 1.684 117.300 115.700 -0.142 0.000 2.419 332 S HA -0.183 4.287 4.470 -0.000 0.000 0.233 332 S C 1.061 175.631 174.600 -0.049 0.000 1.016 332 S CA 1.439 59.566 58.200 -0.120 0.000 0.974 332 S CB -0.789 62.349 63.200 -0.102 0.000 0.786 332 S HN 0.543 nan 8.310 nan 0.000 0.492 333 D N 1.401 121.814 120.400 0.021 0.000 2.368 333 D HA 0.430 5.070 4.640 -0.000 0.000 0.218 333 D C 0.473 176.853 176.300 0.133 0.000 1.112 333 D CA 0.012 54.065 54.000 0.089 0.000 0.834 333 D CB -0.237 40.651 40.800 0.147 0.000 0.953 333 D HN 0.503 nan 8.370 nan 0.000 0.505 334 A N 1.161 123.999 122.820 0.030 0.000 2.386 334 A HA 0.376 4.696 4.320 -0.000 0.000 0.248 334 A C 0.151 177.755 177.584 0.034 0.000 1.082 334 A CA -0.424 51.632 52.037 0.032 0.000 0.789 334 A CB 0.146 19.059 19.000 -0.146 0.000 1.025 334 A HN 0.324 nan 8.150 nan 0.000 0.490 335 D N 1.505 121.942 120.400 0.062 0.000 2.357 335 D HA 0.294 4.934 4.640 -0.000 0.000 0.242 335 D C -2.214 174.091 176.300 0.009 0.000 1.153 335 D CA -1.443 52.580 54.000 0.038 0.000 0.918 335 D CB -0.041 40.789 40.800 0.049 0.000 1.181 335 D HN 0.142 nan 8.370 nan 0.000 0.435 336 P HA -0.205 nan 4.420 nan 0.000 0.216 336 P C 1.189 178.483 177.300 -0.010 0.000 1.154 336 P CA 2.518 65.610 63.100 -0.013 0.000 0.865 336 P CB -0.023 31.671 31.700 -0.009 0.000 0.789 337 A N -1.515 121.308 122.820 0.004 0.000 1.969 337 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 337 A C 2.188 179.780 177.584 0.014 0.000 1.169 337 A CA 2.026 54.069 52.037 0.010 0.000 0.635 337 A CB -1.674 17.337 19.000 0.019 0.000 0.810 337 A HN 0.148 nan 8.150 nan 0.000 0.445 338 T N 0.011 114.577 114.554 0.020 0.000 2.777 338 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 338 T C 1.919 176.602 174.700 -0.029 0.000 1.040 338 T CA 1.572 63.687 62.100 0.025 0.000 1.141 338 T CB -0.144 68.759 68.868 0.058 0.000 0.868 338 T HN 0.530 nan 8.240 nan 0.000 0.444 339 K N 1.067 121.434 120.400 -0.055 0.000 2.026 339 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 339 K C 2.758 179.313 176.600 -0.074 0.000 1.048 339 K CA 1.438 57.666 56.287 -0.098 0.000 0.929 339 K CB -0.238 32.204 32.500 -0.098 0.000 0.713 339 K HN 0.142 nan 8.250 nan 0.000 0.439 340 S N 0.853 116.527 115.700 -0.043 0.000 2.368 340 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 340 S C 2.120 176.711 174.600 -0.015 0.000 1.030 340 S CA 1.212 59.394 58.200 -0.030 0.000 0.999 340 S CB -0.213 62.975 63.200 -0.019 0.000 0.844 340 S HN 0.436 nan 8.310 nan 0.000 0.459 341 A N 1.514 124.337 122.820 0.004 0.000 1.877 341 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 341 A C 2.058 179.677 177.584 0.059 0.000 1.186 341 A CA 1.231 53.291 52.037 0.038 0.000 0.620 341 A CB -0.748 18.291 19.000 0.066 0.000 0.822 341 A HN 0.478 nan 8.150 nan 0.000 0.443 342 I N -0.551 120.030 120.570 0.019 0.000 2.208 342 I HA -0.341 3.829 4.170 -0.000 0.000 0.245 342 I C 2.820 178.934 176.117 -0.004 0.000 1.097 342 I CA 1.950 63.258 61.300 0.014 0.000 1.363 342 I CB -0.355 37.492 38.000 -0.255 0.000 1.051 342 I HN 0.549 nan 8.210 nan 0.000 0.413 343 Q N 1.078 120.853 119.800 -0.042 0.000 2.084 343 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 343 Q C 2.402 178.391 176.000 -0.018 0.000 0.978 343 Q CA 1.548 57.330 55.803 -0.035 0.000 0.844 343 Q CB 0.021 28.733 28.738 -0.044 0.000 0.898 343 Q HN 0.411 nan 8.270 nan 0.000 0.426 344 R N -0.086 120.406 120.500 -0.013 0.000 2.081 344 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 344 R C 2.216 178.501 176.300 -0.024 0.000 1.131 344 R CA 1.427 57.519 56.100 -0.013 0.000 0.960 344 R CB -0.101 30.196 30.300 -0.005 0.000 0.856 344 R HN 0.351 nan 8.270 nan 0.000 0.436 345 E N 0.571 120.746 120.200 -0.042 0.000 2.072 345 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 345 E C 2.037 178.564 176.600 -0.122 0.000 0.982 345 E CA 1.133 57.455 56.400 -0.131 0.000 0.803 345 E CB -0.183 29.334 29.700 -0.305 0.000 0.755 345 E HN 0.307 nan 8.360 nan 0.000 0.453 346 A N 1.055 123.831 122.820 -0.072 0.000 1.933 346 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 346 A C 2.424 180.071 177.584 0.105 0.000 1.175 346 A CA 2.023 54.087 52.037 0.044 0.000 0.628 346 A CB -0.781 18.249 19.000 0.051 0.000 0.814 346 A HN 0.219 nan 8.150 nan 0.000 0.444 347 T N -1.011 113.571 114.554 0.045 0.000 2.812 347 T HA -0.081 4.269 4.350 -0.000 0.000 0.264 347 T C 2.043 176.753 174.700 0.017 0.000 1.042 347 T CA 1.263 63.387 62.100 0.039 0.000 1.140 347 T CB -0.196 68.675 68.868 0.005 0.000 0.870 347 T HN 0.551 nan 8.240 nan 0.000 0.445 348 R N 0.968 121.463 120.500 -0.008 0.000 2.120 348 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 348 R C 2.452 178.719 176.300 -0.054 0.000 1.123 348 R CA 1.861 57.943 56.100 -0.030 0.000 0.975 348 R CB -0.251 30.028 30.300 -0.035 0.000 0.866 348 R HN 0.568 nan 8.270 nan 0.000 0.446 349 T N -3.384 111.148 114.554 -0.037 0.000 2.983 349 T HA 0.051 4.401 4.350 -0.000 0.000 0.250 349 T C 1.202 175.682 174.700 -0.366 0.000 1.037 349 T CA 0.444 62.459 62.100 -0.141 0.000 1.142 349 T CB 0.043 68.926 68.868 0.024 0.000 0.876 349 T HN 0.170 nan 8.240 nan 0.000 0.455 350 F N 1.416 121.390 119.950 0.040 0.000 2.772 350 F HA 0.562 5.089 4.527 -0.000 0.000 0.316 350 F C 1.549 177.403 175.800 0.091 0.000 1.114 350 F CA -1.224 56.839 58.000 0.105 0.000 1.191 350 F CB 0.539 39.646 39.000 0.178 0.000 1.065 350 F HN 0.339 nan 8.300 nan 0.000 0.534 351 G N -0.180 108.696 108.800 0.127 0.000 2.516 351 G HA2 0.181 4.141 3.960 -0.000 0.000 0.276 351 G HA3 0.181 4.141 3.960 -0.000 0.000 0.276 351 G C 1.011 175.935 174.900 0.040 0.000 1.390 351 G CA 0.070 45.210 45.100 0.067 0.000 1.050 351 G HN 0.089 nan 8.290 nan 0.000 0.519 352 T N 0.387 114.947 114.554 0.009 0.000 2.881 352 T HA 0.026 4.376 4.350 -0.000 0.000 0.270 352 T C 1.828 176.529 174.700 0.002 0.000 1.068 352 T CA 1.483 63.587 62.100 0.005 0.000 1.131 352 T CB -0.066 68.790 68.868 -0.019 0.000 0.871 352 T HN 0.619 nan 8.240 nan 0.000 0.479 353 A N 1.369 124.183 122.820 -0.010 0.000 2.708 353 A HA 0.609 4.929 4.320 -0.000 0.000 0.293 353 A C 1.074 178.638 177.584 -0.033 0.000 1.303 353 A CA -0.440 51.587 52.037 -0.018 0.000 0.949 353 A CB -0.411 18.577 19.000 -0.021 0.000 1.121 353 A HN 0.392 nan 8.150 nan 0.000 0.542 354 G N -0.039 108.736 108.800 -0.042 0.000 2.340 354 G HA2 0.282 4.242 3.960 -0.000 0.000 0.245 354 G HA3 0.282 4.242 3.960 -0.000 0.000 0.245 354 G C 1.104 175.921 174.900 -0.138 0.000 1.294 354 G CA 0.548 45.583 45.100 -0.108 0.000 0.896 354 G HN 0.620 nan 8.290 nan 0.000 0.522 355 T N 0.965 115.426 114.554 -0.156 0.000 2.929 355 T HA -0.102 4.248 4.350 -0.000 0.000 0.271 355 T C 1.994 176.585 174.700 -0.182 0.000 1.085 355 T CA 1.098 63.117 62.100 -0.134 0.000 1.125 355 T CB -0.069 68.735 68.868 -0.106 0.000 0.874 355 T HN 0.188 nan 8.240 nan 0.000 0.494 356 L N 0.346 121.325 121.223 -0.407 0.000 2.347 356 L HA 0.380 4.720 4.340 -0.000 0.000 0.196 356 L C 2.725 179.387 176.870 -0.347 0.000 1.072 356 L CA 0.932 55.441 54.840 -0.551 0.000 0.817 356 L CB -0.629 40.724 42.059 -1.178 0.000 1.029 356 L HN 0.164 nan 8.230 nan 0.000 0.478 357 E N -0.011 119.864 120.200 -0.542 0.000 2.118 357 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 357 E C 2.088 178.738 176.600 0.083 0.000 0.992 357 E CA 1.602 57.954 56.400 -0.080 0.000 0.804 357 E CB 0.011 29.735 29.700 0.040 0.000 0.741 357 E HN 0.340 nan 8.360 nan 0.000 0.458 358 S N 0.834 116.544 115.700 0.017 0.000 2.419 358 S HA -0.174 4.296 4.470 -0.000 0.000 0.235 358 S C 1.214 175.860 174.600 0.076 0.000 1.019 358 S CA 1.279 59.507 58.200 0.047 0.000 0.982 358 S CB -0.334 62.873 63.200 0.012 0.000 0.789 358 S HN 0.400 nan 8.310 nan 0.000 0.490 359 D N 1.265 121.730 120.400 0.108 0.000 2.264 359 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 359 D C 1.202 177.559 176.300 0.096 0.000 0.966 359 D CA 0.737 54.792 54.000 0.091 0.000 0.864 359 D CB -0.276 40.579 40.800 0.091 0.000 0.933 359 D HN 0.309 nan 8.370 nan 0.000 0.499 360 D N 0.059 120.569 120.400 0.183 0.000 2.323 360 D HA -0.006 4.634 4.640 -0.000 0.000 0.209 360 D C 2.118 178.493 176.300 0.125 0.000 0.973 360 D CA 0.385 54.487 54.000 0.169 0.000 0.874 360 D CB -0.028 40.941 40.800 0.282 0.000 0.930 360 D HN 0.211 nan 8.370 nan 0.000 0.521 361 G N 0.950 109.825 108.800 0.125 0.000 2.418 361 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 361 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 361 G C 1.517 176.470 174.900 0.088 0.000 1.158 361 G CA 0.647 45.816 45.100 0.115 0.000 0.771 361 G HN 0.296 nan 8.290 nan 0.000 0.545 362 E N 0.472 120.715 120.200 0.071 0.000 2.072 362 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 362 E C 2.364 178.999 176.600 0.058 0.000 0.982 362 E CA 0.808 57.246 56.400 0.063 0.000 0.803 362 E CB -0.040 29.690 29.700 0.050 0.000 0.755 362 E HN 0.259 nan 8.360 nan 0.000 0.453 363 N N 0.347 119.076 118.700 0.047 0.000 2.061 363 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 363 N C 1.680 177.196 175.510 0.011 0.000 1.030 363 N CA 1.473 54.540 53.050 0.028 0.000 0.856 363 N CB -0.231 38.260 38.487 0.007 0.000 1.023 363 N HN 0.279 nan 8.380 nan 0.000 0.424 364 M N 0.128 119.731 119.600 0.006 0.000 2.077 364 M HA -0.004 4.476 4.480 -0.000 0.000 0.261 364 M C 2.348 178.654 176.300 0.010 0.000 1.070 364 M CA 1.024 56.302 55.300 -0.037 0.000 1.125 364 M CB -1.447 31.147 32.600 -0.010 0.000 1.339 364 M HN 0.070 nan 8.290 nan 0.000 0.409 365 S N -0.192 115.563 115.700 0.092 0.000 2.383 365 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 365 S C 2.248 176.978 174.600 0.217 0.000 1.026 365 S CA 1.794 60.111 58.200 0.194 0.000 0.981 365 S CB -0.181 63.136 63.200 0.196 0.000 0.818 365 S HN 0.513 nan 8.310 nan 0.000 0.472 366 S N 0.823 116.603 115.700 0.135 0.000 2.355 366 S HA 0.071 4.541 4.470 -0.000 0.000 0.222 366 S C 2.094 176.765 174.600 0.120 0.000 1.031 366 S CA 1.271 59.547 58.200 0.125 0.000 0.993 366 S CB -0.752 62.495 63.200 0.078 0.000 0.859 366 S HN 0.655 nan 8.310 nan 0.000 0.453 367 A N 0.434 123.308 122.820 0.091 0.000 2.076 367 A HA -0.049 4.270 4.320 -0.000 0.000 0.220 367 A C 2.224 179.916 177.584 0.180 0.000 1.160 367 A CA 2.177 54.291 52.037 0.127 0.000 0.653 367 A CB -1.227 17.843 19.000 0.117 0.000 0.801 367 A HN 0.627 nan 8.150 nan 0.000 0.455 368 T N -1.893 112.727 114.554 0.109 0.000 2.755 368 T HA -0.044 4.306 4.350 -0.000 0.000 0.251 368 T C 1.663 176.433 174.700 0.118 0.000 1.044 368 T CA 1.425 63.607 62.100 0.137 0.000 1.154 368 T CB -0.432 68.475 68.868 0.064 0.000 0.866 368 T HN 0.485 nan 8.240 nan 0.000 0.416 369 Y N 2.165 122.544 120.300 0.133 0.000 2.509 369 Y HA -0.055 4.495 4.550 -0.000 0.000 0.293 369 Y C 2.525 178.338 175.900 -0.145 0.000 1.133 369 Y CA 0.116 58.251 58.100 0.059 0.000 1.283 369 Y CB -0.761 37.740 38.460 0.069 0.000 1.001 369 Y HN 0.100 nan 8.280 nan 0.000 0.555 370 V N -1.491 118.430 119.914 0.010 0.000 2.453 370 V HA -0.309 3.811 4.120 -0.000 0.000 0.252 370 V C 1.524 177.460 176.094 -0.263 0.000 1.068 370 V CA 2.233 64.481 62.300 -0.086 0.000 1.070 370 V CB -0.552 31.249 31.823 -0.037 0.000 0.664 370 V HN 0.411 nan 8.190 nan 0.000 0.461 371 N N 0.613 119.063 118.700 -0.416 0.000 2.521 371 N HA -0.018 4.722 4.740 -0.000 0.000 0.188 371 N C 1.769 176.421 175.510 -1.430 0.000 1.146 371 N CA 0.895 53.533 53.050 -0.688 0.000 0.893 371 N CB -0.382 37.854 38.487 -0.419 0.000 0.975 371 N HN 0.666 nan 8.380 nan 0.000 0.451 372 R N 1.104 120.779 120.500 -1.376 0.000 2.127 372 R HA -0.038 4.302 4.340 -0.000 0.000 0.238 372 R C 0.839 176.830 176.300 -0.515 0.000 1.134 372 R CA 0.870 56.331 56.100 -1.064 0.000 0.975 372 R CB -0.201 29.876 30.300 -0.371 0.000 0.865 372 R HN 0.031 nan 8.270 nan 0.000 0.447 373 G N -0.099 108.470 108.800 -0.385 0.000 2.370 373 G HA2 0.285 4.245 3.960 -0.000 0.000 0.272 373 G HA3 0.285 4.245 3.960 -0.000 0.000 0.272 373 G C 0.929 175.696 174.900 -0.221 0.000 1.208 373 G CA -0.143 44.823 45.100 -0.224 0.000 0.856 373 G HN 0.167 nan 8.290 nan 0.000 0.500 374 V N 2.348 122.178 119.914 -0.141 0.000 2.515 374 V HA -0.111 4.009 4.120 -0.000 0.000 0.250 374 V C 2.236 178.274 176.094 -0.093 0.000 1.058 374 V CA 0.880 63.117 62.300 -0.105 0.000 1.064 374 V CB -0.657 31.136 31.823 -0.050 0.000 0.675 374 V HN 0.603 nan 8.190 nan 0.000 0.461 375 I N 1.283 121.802 120.570 -0.085 0.000 2.353 375 I HA -0.123 4.047 4.170 -0.000 0.000 0.248 375 I C 2.646 178.712 176.117 -0.086 0.000 1.119 375 I CA 1.948 63.205 61.300 -0.071 0.000 1.417 375 I CB -1.693 36.273 38.000 -0.058 0.000 1.078 375 I HN 0.351 nan 8.210 nan 0.000 0.421 376 T N 0.551 115.040 114.554 -0.109 0.000 2.746 376 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 376 T C 2.047 176.670 174.700 -0.127 0.000 1.039 376 T CA 1.326 63.356 62.100 -0.116 0.000 1.142 376 T CB -0.262 68.524 68.868 -0.137 0.000 0.866 376 T HN 0.243 nan 8.240 nan 0.000 0.444 377 R N 1.279 121.684 120.500 -0.158 0.000 2.189 377 R HA -0.040 4.300 4.340 -0.000 0.000 0.218 377 R C 0.449 176.689 176.300 -0.100 0.000 1.074 377 R CA 0.698 56.706 56.100 -0.154 0.000 0.991 377 R CB -0.103 30.073 30.300 -0.207 0.000 0.883 377 R HN 0.143 nan 8.270 nan 0.000 0.457 378 D N 0.562 120.911 120.400 -0.085 0.000 2.551 378 D HA 0.218 4.858 4.640 -0.000 0.000 0.223 378 D C -0.727 175.531 176.300 -0.071 0.000 1.144 378 D CA 0.348 54.309 54.000 -0.064 0.000 1.025 378 D CB 0.304 41.074 40.800 -0.051 0.000 1.085 378 D HN 0.397 nan 8.370 nan 0.000 0.506 379 G N 1.518 110.268 108.800 -0.083 0.000 2.523 379 G HA2 0.418 4.378 3.960 -0.000 0.000 0.291 379 G HA3 0.418 4.378 3.960 -0.000 0.000 0.291 379 G C -1.229 173.601 174.900 -0.117 0.000 1.450 379 G CA -0.824 44.221 45.100 -0.091 0.000 0.790 379 G HN 0.114 nan 8.290 nan 0.000 0.496 380 M N 0.499 120.025 119.600 -0.124 0.000 2.578 380 M HA 0.581 5.061 4.480 -0.000 0.000 0.321 380 M C -0.027 176.169 176.300 -0.173 0.000 1.182 380 M CA -0.577 54.629 55.300 -0.158 0.000 0.965 380 M CB 1.666 34.184 32.600 -0.136 0.000 1.694 380 M HN 0.475 nan 8.290 nan 0.000 0.461 381 M N 1.782 121.244 119.600 -0.230 0.000 2.363 381 M HA 0.338 4.818 4.480 -0.000 0.000 0.343 381 M C 0.110 176.293 176.300 -0.194 0.000 1.165 381 M CA -0.470 54.700 55.300 -0.217 0.000 1.046 381 M CB 1.374 33.791 32.600 -0.306 0.000 1.648 381 M HN 0.505 nan 8.290 nan 0.000 0.452 382 N N 1.356 119.964 118.700 -0.152 0.000 2.438 382 N HA 0.265 5.005 4.740 -0.000 0.000 0.282 382 N C -0.932 174.473 175.510 -0.174 0.000 1.037 382 N CA 0.059 53.021 53.050 -0.147 0.000 0.942 382 N CB 1.144 39.557 38.487 -0.123 0.000 1.136 382 N HN 0.753 nan 8.380 nan 0.000 0.481 383 S N 0.636 116.232 115.700 -0.173 0.000 2.526 383 S HA 0.052 4.522 4.470 -0.000 0.000 0.220 383 S C 0.729 175.230 174.600 -0.166 0.000 1.159 383 S CA -0.573 57.487 58.200 -0.232 0.000 1.196 383 S CB -0.479 62.619 63.200 -0.171 0.000 1.225 383 S HN 0.578 nan 8.310 nan 0.000 0.432 384 T N -1.674 112.786 114.554 -0.157 0.000 3.107 384 T HA 0.311 4.661 4.350 -0.000 0.000 0.249 384 T C 0.686 175.306 174.700 -0.133 0.000 1.096 384 T CA -0.383 61.647 62.100 -0.118 0.000 1.012 384 T CB -0.387 68.419 68.868 -0.103 0.000 0.977 384 T HN 0.563 nan 8.240 nan 0.000 0.527 385 M N 2.401 121.882 119.600 -0.199 0.000 2.474 385 M HA 0.309 4.789 4.480 -0.000 0.000 0.352 385 M C 1.275 177.465 176.300 -0.184 0.000 1.690 385 M CA 1.551 56.708 55.300 -0.239 0.000 1.112 385 M CB -0.527 31.861 32.600 -0.353 0.000 2.062 385 M HN 0.670 nan 8.290 nan 0.000 0.461 386 G N 3.583 112.281 108.800 -0.169 0.000 2.157 386 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 386 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 386 G C -0.160 174.763 174.900 0.038 0.000 0.979 386 G CA 0.106 45.130 45.100 -0.126 0.000 0.650 386 G HN 0.990 nan 8.290 nan 0.000 0.529 387 V N -1.659 118.270 119.914 0.027 0.000 2.720 387 V HA 0.480 4.600 4.120 -0.000 0.000 0.307 387 V C 1.878 178.011 176.094 0.065 0.000 1.071 387 V CA 0.826 63.148 62.300 0.035 0.000 1.199 387 V CB 0.670 32.487 31.823 -0.010 0.000 0.900 387 V HN 2.209 nan 8.190 nan 0.000 0.494 388 G N 2.982 111.758 108.800 -0.040 0.000 2.267 388 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 388 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 388 G C -0.044 174.584 174.900 -0.454 0.000 0.998 388 G CA 0.614 45.602 45.100 -0.187 0.000 0.620 388 G HN 1.027 nan 8.290 nan 0.000 0.529 389 Y N 2.945 122.997 120.300 -0.413 0.000 2.928 389 Y HA 0.512 5.062 4.550 -0.000 0.000 0.390 389 Y C 0.901 175.995 175.900 -1.344 0.000 1.101 389 Y CA 0.314 57.922 58.100 -0.821 0.000 1.777 389 Y CB -0.123 38.135 38.460 -0.337 0.000 1.720 389 Y HN 0.642 nan 8.280 nan 0.000 0.484 390 E N -1.563 117.814 120.200 -1.372 0.000 2.403 390 E HA 0.742 5.092 4.350 -0.000 0.000 0.280 390 E C -0.632 175.741 176.600 -0.378 0.000 1.101 390 E CA -1.073 54.886 56.400 -0.735 0.000 0.856 390 E CB 1.512 31.058 29.700 -0.257 0.000 1.303 390 E HN 0.217 nan 8.360 nan 0.000 0.441 391 G N 0.105 108.931 108.800 0.044 0.000 2.333 391 G HA2 0.358 4.317 3.960 -0.000 0.000 0.288 391 G HA3 0.358 4.317 3.960 -0.000 0.000 0.288 391 G C -3.197 171.903 174.900 0.334 0.000 1.286 391 G CA -0.516 44.681 45.100 0.161 0.000 0.865 391 G HN 0.452 nan 8.290 nan 0.000 0.506 392 P HA 0.216 nan 4.420 nan 0.000 0.275 392 P C -1.104 176.388 177.300 0.321 0.000 1.228 392 P CA 0.186 63.410 63.100 0.207 0.000 0.786 392 P CB 1.030 32.791 31.700 0.101 0.000 0.927 393 H N 4.010 123.114 119.070 0.055 0.000 2.572 393 H HA 0.275 4.831 4.556 -0.000 0.000 0.359 393 H C -1.669 173.622 175.328 -0.060 0.000 1.134 393 H CA -2.121 53.863 56.048 -0.107 0.000 1.187 393 H CB 2.270 31.814 29.762 -0.364 0.000 1.597 393 H HN 0.210 nan 8.280 nan 0.000 0.524 394 P HA -0.046 nan 4.420 nan 0.000 0.229 394 P C 0.856 178.151 177.300 -0.007 0.000 1.160 394 P CA 0.518 63.584 63.100 -0.057 0.000 0.777 394 P CB 0.978 32.616 31.700 -0.104 0.000 0.814 395 V N -2.172 117.802 119.914 0.099 0.000 2.854 395 V HA 0.090 4.210 4.120 -0.000 0.000 0.236 395 V C 0.797 176.733 176.094 -0.264 0.000 1.157 395 V CA 0.227 62.470 62.300 -0.096 0.000 1.187 395 V CB -0.653 31.035 31.823 -0.225 0.000 0.949 395 V HN -0.089 nan 8.190 nan 0.000 0.488 396 Y N 3.220 123.450 120.300 -0.118 0.000 2.393 396 Y HA 0.340 4.889 4.550 -0.000 0.000 0.338 396 Y C -2.023 173.735 175.900 -0.236 0.000 1.029 396 Y CA -2.469 55.419 58.100 -0.353 0.000 1.239 396 Y CB 0.410 38.741 38.460 -0.215 0.000 1.170 396 Y HN 0.211 nan 8.280 nan 0.000 0.515 397 P HA 0.319 nan 4.420 nan 0.000 0.276 397 P C 0.539 177.980 177.300 0.234 0.000 1.244 397 P CA 0.350 63.425 63.100 -0.043 0.000 0.801 397 P CB 1.532 33.125 31.700 -0.179 0.000 1.006 398 G N 1.018 109.987 108.800 0.280 0.000 2.475 398 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.223 398 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.223 398 G C -1.220 173.856 174.900 0.294 0.000 1.201 398 G CA -0.529 44.821 45.100 0.418 0.000 0.962 398 G HN 0.564 nan 8.290 nan 0.000 0.586 399 I N 0.999 121.678 120.570 0.181 0.000 2.465 399 I HA 0.599 4.769 4.170 -0.000 0.000 0.291 399 I C 0.128 176.177 176.117 -0.114 0.000 1.014 399 I CA -0.643 60.590 61.300 -0.111 0.000 1.093 399 I CB 1.407 39.025 38.000 -0.636 0.000 1.267 399 I HN 0.468 nan 8.210 nan 0.000 0.431 400 V N 4.753 124.641 119.914 -0.043 0.000 2.540 400 V HA 0.713 4.833 4.120 -0.000 0.000 0.302 400 V C 0.439 176.600 176.094 0.113 0.000 1.035 400 V CA -0.642 61.547 62.300 -0.184 0.000 0.873 400 V CB 1.898 33.489 31.823 -0.387 0.000 0.992 400 V HN 0.894 nan 8.190 nan 0.000 0.428 401 G N 3.215 111.945 108.800 -0.117 0.000 2.379 401 G HA2 0.649 4.609 3.960 -0.000 0.000 0.327 401 G HA3 0.649 4.609 3.960 -0.000 0.000 0.327 401 G C -0.654 174.296 174.900 0.083 0.000 1.145 401 G CA -0.625 44.439 45.100 -0.059 0.000 0.905 401 G HN 0.749 nan 8.290 nan 0.000 0.466 402 I N 1.402 122.057 120.570 0.141 0.000 2.696 402 I HA 0.350 4.520 4.170 -0.000 0.000 0.284 402 I C 0.270 176.449 176.117 0.102 0.000 1.129 402 I CA 0.708 62.163 61.300 0.259 0.000 1.410 402 I CB 0.581 38.744 38.000 0.271 0.000 1.399 402 I HN 0.779 nan 8.210 nan 0.000 0.579 403 S N 4.059 119.839 115.700 0.134 0.000 3.425 403 S HA -0.240 4.230 4.470 -0.000 0.000 0.815 403 S C -0.140 174.529 174.600 0.115 0.000 1.102 403 S CA 0.312 58.578 58.200 0.111 0.000 1.114 403 S CB -0.699 62.527 63.200 0.043 0.000 0.716 403 S HN 0.827 nan 8.310 nan 0.000 0.321 404 F N 1.177 121.145 119.950 0.030 0.000 2.270 404 F HA 0.359 4.886 4.527 -0.000 0.000 0.295 404 F C 0.836 176.661 175.800 0.041 0.000 1.087 404 F CA 0.746 58.769 58.000 0.039 0.000 1.365 404 F CB 0.174 39.227 39.000 0.087 0.000 1.056 404 F HN 0.528 nan 8.300 nan 0.000 0.506 405 I N 2.027 122.452 120.570 -0.242 0.000 2.322 405 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 405 I C 0.457 176.421 176.117 -0.256 0.000 1.060 405 I CA 0.056 61.162 61.300 -0.323 0.000 1.309 405 I CB 0.171 38.102 38.000 -0.116 0.000 1.415 405 I HN 0.302 nan 8.210 nan 0.000 0.492 406 G N 4.598 113.238 108.800 -0.267 0.000 2.340 406 G HA2 0.271 4.231 3.960 -0.000 0.000 0.299 406 G HA3 0.271 4.231 3.960 -0.000 0.000 0.299 406 G C -0.725 174.086 174.900 -0.148 0.000 1.291 406 G CA -0.490 44.476 45.100 -0.223 0.000 0.841 406 G HN 0.530 nan 8.290 nan 0.000 0.500 407 E N -0.398 119.733 120.200 -0.116 0.000 2.734 407 E HA 0.194 4.544 4.350 -0.000 0.000 0.211 407 E C 1.437 178.118 176.600 0.136 0.000 0.991 407 E CA 0.056 56.441 56.400 -0.024 0.000 1.065 407 E CB 0.809 30.316 29.700 -0.322 0.000 1.047 407 E HN 0.369 nan 8.360 nan 0.000 0.470 408 T N 0.191 114.795 114.554 0.083 0.000 2.653 408 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 408 T C 1.939 176.764 174.700 0.208 0.000 1.035 408 T CA 1.807 63.981 62.100 0.124 0.000 1.154 408 T CB -0.080 68.773 68.868 -0.025 0.000 0.862 408 T HN 0.096 nan 8.240 nan 0.000 0.441 409 S N -0.012 115.794 115.700 0.177 0.000 2.428 409 S HA 0.015 4.485 4.470 -0.000 0.000 0.230 409 S C 1.687 176.449 174.600 0.270 0.000 1.014 409 S CA 0.456 58.766 58.200 0.183 0.000 0.957 409 S CB -0.380 62.878 63.200 0.097 0.000 0.784 409 S HN 0.505 nan 8.310 nan 0.000 0.499 410 Y N 2.138 122.536 120.300 0.162 0.000 2.145 410 Y HA -0.069 4.481 4.550 0.000 0.000 0.286 410 Y C 2.566 178.699 175.900 0.387 0.000 1.145 410 Y CA 1.080 59.333 58.100 0.255 0.000 1.148 410 Y CB -0.316 38.280 38.460 0.228 0.000 0.981 410 Y HN 0.121 nan 8.280 nan 0.000 0.507 411 R N -0.695 120.104 120.500 0.500 0.000 2.081 411 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 411 R C 2.580 179.177 176.300 0.495 0.000 1.131 411 R CA 1.275 57.630 56.100 0.424 0.000 0.960 411 R CB -0.952 29.556 30.300 0.348 0.000 0.856 411 R HN 0.445 nan 8.270 nan 0.000 0.436 412 G N 0.163 109.292 108.800 0.549 0.000 2.403 412 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 412 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 412 G C 1.228 176.347 174.900 0.364 0.000 1.154 412 G CA 0.142 45.550 45.100 0.513 0.000 0.784 412 G HN 0.270 nan 8.290 nan 0.000 0.538 413 F N 0.336 120.405 119.950 0.198 0.000 2.084 413 F HA 0.014 4.541 4.527 -0.000 0.000 0.296 413 F C 2.423 178.326 175.800 0.172 0.000 1.111 413 F CA 1.271 59.351 58.000 0.133 0.000 1.224 413 F CB -0.055 38.897 39.000 -0.079 0.000 0.991 413 F HN 0.178 nan 8.300 nan 0.000 0.471 414 Y N -0.125 120.412 120.300 0.394 0.000 2.373 414 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 414 Y C 2.688 178.724 175.900 0.227 0.000 1.129 414 Y CA 1.134 59.387 58.100 0.256 0.000 1.226 414 Y CB -0.423 38.161 38.460 0.207 0.000 1.000 414 Y HN -0.018 nan 8.280 nan 0.000 0.549 415 R N 0.038 120.748 120.500 0.350 0.000 2.081 415 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 415 R C 2.102 178.538 176.300 0.227 0.000 1.131 415 R CA 1.796 58.053 56.100 0.262 0.000 0.960 415 R CB -0.646 29.817 30.300 0.271 0.000 0.856 415 R HN 0.420 nan 8.270 nan 0.000 0.436 416 F N -0.389 119.540 119.950 -0.034 0.000 2.206 416 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 416 F C 2.071 177.726 175.800 -0.242 0.000 1.090 416 F CA 1.154 58.992 58.000 -0.271 0.000 1.323 416 F CB -0.329 38.293 39.000 -0.630 0.000 1.028 416 F HN 0.137 nan 8.300 nan 0.000 0.492 417 W N 2.169 123.266 121.300 -0.338 0.000 2.304 417 W HA -0.324 4.336 4.660 0.000 0.000 0.315 417 W C 2.571 178.992 176.519 -0.163 0.000 1.233 417 W CA 2.786 60.030 57.345 -0.170 0.000 1.261 417 W CB -0.407 29.028 29.460 -0.042 0.000 1.150 417 W HN -0.013 nan 8.180 nan 0.000 0.494 418 K N 0.370 120.919 120.400 0.249 0.000 2.097 418 K HA -0.244 4.076 4.320 -0.000 0.000 0.205 418 K C 2.094 178.603 176.600 -0.151 0.000 1.050 418 K CA 1.822 58.186 56.287 0.128 0.000 0.938 418 K CB -0.535 32.117 32.500 0.253 0.000 0.718 418 K HN 0.308 nan 8.250 nan 0.000 0.442 419 E N 0.019 120.112 120.200 -0.179 0.000 2.077 419 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 419 E C 2.000 178.353 176.600 -0.411 0.000 0.989 419 E CA 1.215 57.483 56.400 -0.221 0.000 0.800 419 E CB 0.081 29.717 29.700 -0.106 0.000 0.746 419 E HN 0.274 nan 8.360 nan 0.000 0.452 420 M N 0.471 119.656 119.600 -0.691 0.000 2.132 420 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 420 M C 2.337 178.295 176.300 -0.570 0.000 1.065 420 M CA 0.945 55.804 55.300 -0.735 0.000 1.122 420 M CB -0.656 31.407 32.600 -0.895 0.000 1.365 420 M HN 0.243 nan 8.290 nan 0.000 0.411 421 I N 0.628 120.819 120.570 -0.632 0.000 2.286 421 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 421 I C 1.708 177.620 176.117 -0.341 0.000 1.115 421 I CA 1.552 62.509 61.300 -0.573 0.000 1.392 421 I CB -1.287 36.197 38.000 -0.859 0.000 1.065 421 I HN 0.251 nan 8.210 nan 0.000 0.418 422 D N 0.871 121.106 120.400 -0.276 0.000 2.277 422 D HA 0.061 4.701 4.640 -0.000 0.000 0.208 422 D C 0.969 177.171 176.300 -0.162 0.000 0.962 422 D CA 0.338 54.236 54.000 -0.170 0.000 0.865 422 D CB 0.183 40.915 40.800 -0.112 0.000 0.939 422 D HN 0.189 nan 8.370 nan 0.000 0.510 423 A N 1.924 124.614 122.820 -0.217 0.000 2.309 423 A HA 0.318 4.638 4.320 -0.000 0.000 0.290 423 A C -1.390 176.087 177.584 -0.179 0.000 1.206 423 A CA -1.041 50.884 52.037 -0.187 0.000 0.850 423 A CB 0.862 19.717 19.000 -0.241 0.000 1.118 423 A HN -0.082 nan 8.150 nan 0.000 0.523 424 P HA 0.000 nan 4.420 nan 0.000 0.233 424 P C -0.401 176.845 177.300 -0.090 0.000 1.167 424 P CA 1.202 64.244 63.100 -0.096 0.000 0.770 424 P CB -0.062 31.605 31.700 -0.056 0.000 0.837 425 D N -4.144 116.202 120.400 -0.091 0.000 2.692 425 D HA 0.046 4.686 4.640 -0.000 0.000 0.290 425 D C 0.204 176.483 176.300 -0.034 0.000 1.281 425 D CA -0.865 53.103 54.000 -0.053 0.000 0.804 425 D CB -0.444 40.374 40.800 0.031 0.000 1.331 425 D HN -0.230 nan 8.370 nan 0.000 0.432 426 W N 0.178 121.482 121.300 0.005 0.000 2.342 426 W HA 0.022 4.682 4.660 -0.000 0.000 0.297 426 W C 2.510 179.061 176.519 0.052 0.000 1.213 426 W CA 1.870 59.237 57.345 0.037 0.000 1.251 426 W CB -0.180 29.305 29.460 0.041 0.000 1.136 426 W HN 0.639 nan 8.180 nan 0.000 0.526 427 A N -0.672 122.312 122.820 0.273 0.000 1.940 427 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 427 A C 1.968 179.641 177.584 0.147 0.000 1.176 427 A CA 2.210 54.359 52.037 0.187 0.000 0.631 427 A CB -1.031 18.042 19.000 0.122 0.000 0.814 427 A HN 0.190 nan 8.150 nan 0.000 0.446 428 S N -0.703 115.056 115.700 0.099 0.000 2.402 428 S HA -0.080 4.390 4.470 -0.000 0.000 0.229 428 S C 1.870 176.511 174.600 0.067 0.000 1.021 428 S CA 1.222 59.454 58.200 0.054 0.000 0.974 428 S CB -0.308 62.892 63.200 -0.001 0.000 0.800 428 S HN 0.368 nan 8.310 nan 0.000 0.484 429 V N 2.012 121.979 119.914 0.089 0.000 2.270 429 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 429 V C 2.165 178.406 176.094 0.244 0.000 1.043 429 V CA 1.621 64.009 62.300 0.147 0.000 1.014 429 V CB -0.533 31.376 31.823 0.144 0.000 0.645 429 V HN 0.418 nan 8.190 nan 0.000 0.447 430 K N 0.545 121.129 120.400 0.307 0.000 2.211 430 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 430 K C 2.185 178.887 176.600 0.170 0.000 1.047 430 K CA 1.338 57.781 56.287 0.260 0.000 0.935 430 K CB -0.430 32.215 32.500 0.241 0.000 0.728 430 K HN 0.479 nan 8.250 nan 0.000 0.452 431 A N 1.638 124.543 122.820 0.141 0.000 2.070 431 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 431 A C 1.267 178.911 177.584 0.101 0.000 1.159 431 A CA 1.344 53.443 52.037 0.103 0.000 0.656 431 A CB -0.122 18.927 19.000 0.081 0.000 0.800 431 A HN 0.231 nan 8.150 nan 0.000 0.453 432 N N -0.151 118.621 118.700 0.120 0.000 2.234 432 N HA 0.048 4.788 4.740 -0.000 0.000 0.227 432 N C -0.087 175.522 175.510 0.164 0.000 1.151 432 N CA 0.022 53.147 53.050 0.125 0.000 0.865 432 N CB 0.304 38.859 38.487 0.114 0.000 1.066 432 N HN 0.286 nan 8.380 nan 0.000 0.515 433 D N 1.493 121.986 120.400 0.156 0.000 2.106 433 D HA -0.162 4.478 4.640 -0.000 0.000 0.191 433 D C 1.058 177.500 176.300 0.237 0.000 0.997 433 D CA 1.378 55.472 54.000 0.156 0.000 0.834 433 D CB 0.102 40.971 40.800 0.116 0.000 0.956 433 D HN 0.205 nan 8.370 nan 0.000 0.448 434 D N -0.166 120.338 120.400 0.174 0.000 2.178 434 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 434 D C 1.052 177.432 176.300 0.133 0.000 0.974 434 D CA 0.750 54.846 54.000 0.160 0.000 0.841 434 D CB -0.416 40.441 40.800 0.095 0.000 0.953 434 D HN 0.231 nan 8.370 nan 0.000 0.478 435 N N 0.547 119.317 118.700 0.116 0.000 2.235 435 N HA 0.019 4.759 4.740 -0.000 0.000 0.209 435 N C 1.502 177.030 175.510 0.031 0.000 1.122 435 N CA -0.341 52.729 53.050 0.033 0.000 0.845 435 N CB 0.094 38.604 38.487 0.039 0.000 1.004 435 N HN 0.344 nan 8.380 nan 0.000 0.499 436 W N 1.400 122.724 121.300 0.039 0.000 2.325 436 W HA -0.143 4.517 4.660 -0.000 0.000 0.299 436 W C 0.213 176.799 176.519 0.110 0.000 1.215 436 W CA 1.087 58.462 57.345 0.050 0.000 1.244 436 W CB -0.594 28.865 29.460 -0.001 0.000 1.140 436 W HN 0.133 nan 8.180 nan 0.000 0.523 437 D N 0.434 120.291 120.400 -0.905 0.000 2.342 437 D HA 0.017 4.657 4.640 -0.000 0.000 0.221 437 D C 1.349 177.495 176.300 -0.256 0.000 1.101 437 D CA 0.184 53.706 54.000 -0.796 0.000 0.837 437 D CB -0.188 39.648 40.800 -1.608 0.000 0.938 437 D HN -0.001 nan 8.370 nan 0.000 0.508 438 S N 0.134 115.720 115.700 -0.191 0.000 2.442 438 S HA -0.136 4.334 4.470 -0.000 0.000 0.236 438 S C 2.189 176.724 174.600 -0.107 0.000 1.007 438 S CA 1.144 59.278 58.200 -0.110 0.000 0.965 438 S CB -0.282 62.874 63.200 -0.074 0.000 0.773 438 S HN 0.491 nan 8.310 nan 0.000 0.504 439 V N -1.791 118.026 119.914 -0.162 0.000 2.913 439 V HA 0.091 4.211 4.120 -0.000 0.000 0.260 439 V C 0.578 176.428 176.094 -0.408 0.000 1.098 439 V CA 0.867 62.998 62.300 -0.280 0.000 1.121 439 V CB -1.217 30.393 31.823 -0.356 0.000 0.714 439 V HN 0.350 nan 8.190 nan 0.000 0.487 440 F N 2.927 122.802 119.950 -0.124 0.000 2.515 440 F HA 0.336 4.863 4.527 -0.000 0.000 0.353 440 F C 1.839 177.573 175.800 -0.111 0.000 1.213 440 F CA 0.272 58.200 58.000 -0.119 0.000 1.194 440 F CB 0.344 39.255 39.000 -0.149 0.000 1.488 440 F HN 0.114 nan 8.300 nan 0.000 0.619 441 T N -2.527 112.026 114.554 -0.001 0.000 3.055 441 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 441 T C 1.127 175.823 174.700 -0.008 0.000 1.111 441 T CA 0.229 62.316 62.100 -0.023 0.000 1.118 441 T CB -0.245 68.591 68.868 -0.052 0.000 0.909 441 T HN 0.234 nan 8.240 nan 0.000 0.501 442 N N 2.150 120.851 118.700 0.002 0.000 3.103 442 N HA 0.094 4.834 4.740 -0.000 0.000 0.305 442 N C 1.109 176.654 175.510 0.058 0.000 1.232 442 N CA -0.376 52.679 53.050 0.009 0.000 1.190 442 N CB -0.049 38.423 38.487 -0.026 0.000 1.461 442 N HN 0.232 nan 8.380 nan 0.000 0.538 443 R N 0.691 121.215 120.500 0.039 0.000 2.152 443 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 443 R C 1.103 177.446 176.300 0.073 0.000 1.117 443 R CA 0.727 56.859 56.100 0.054 0.000 0.981 443 R CB -0.666 29.647 30.300 0.023 0.000 0.870 443 R HN 0.422 nan 8.270 nan 0.000 0.451 444 N N 0.458 119.184 118.700 0.044 0.000 2.412 444 N HA -0.044 4.696 4.740 -0.000 0.000 0.184 444 N C 1.201 176.708 175.510 -0.005 0.000 1.101 444 N CA -0.076 52.983 53.050 0.016 0.000 0.881 444 N CB -0.167 38.306 38.487 -0.024 0.000 0.969 444 N HN 0.085 nan 8.380 nan 0.000 0.459 445 F N -0.195 119.678 119.950 -0.128 0.000 2.045 445 F HA -0.270 4.256 4.527 -0.000 0.000 0.297 445 F C 1.299 176.888 175.800 -0.352 0.000 1.114 445 F CA 1.935 59.759 58.000 -0.293 0.000 1.207 445 F CB -0.347 38.410 39.000 -0.405 0.000 0.964 445 F HN 0.160 nan 8.300 nan 0.000 0.486 446 W N 0.525 121.814 121.300 -0.019 0.000 2.467 446 W HA -0.090 4.570 4.660 0.000 0.000 0.275 446 W C 2.266 178.669 176.519 -0.193 0.000 1.239 446 W CA 0.664 57.925 57.345 -0.140 0.000 1.266 446 W CB -0.600 28.805 29.460 -0.092 0.000 1.112 446 W HN -0.029 nan 8.180 nan 0.000 0.576 447 N N 0.533 119.250 118.700 0.029 0.000 2.120 447 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 447 N C 1.656 177.117 175.510 -0.082 0.000 1.024 447 N CA 1.487 54.525 53.050 -0.019 0.000 0.852 447 N CB -0.686 37.789 38.487 -0.019 0.000 1.003 447 N HN 0.220 nan 8.380 nan 0.000 0.424 448 E N 1.483 121.580 120.200 -0.171 0.000 2.046 448 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 448 E C 1.530 177.986 176.600 -0.240 0.000 0.982 448 E CA 0.860 57.133 56.400 -0.211 0.000 0.800 448 E CB 0.134 29.673 29.700 -0.268 0.000 0.756 448 E HN 0.040 nan 8.360 nan 0.000 0.449 449 K N 0.597 120.761 120.400 -0.394 0.000 2.063 449 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 449 K C 2.270 178.831 176.600 -0.066 0.000 1.048 449 K CA 0.866 56.952 56.287 -0.335 0.000 0.928 449 K CB -0.475 31.677 32.500 -0.579 0.000 0.713 449 K HN 0.256 nan 8.250 nan 0.000 0.442 450 L N 0.135 121.370 121.223 0.020 0.000 2.554 450 L HA -0.029 4.310 4.340 -0.000 0.000 0.226 450 L C 1.005 177.888 176.870 0.023 0.000 1.137 450 L CA 0.457 55.341 54.840 0.073 0.000 0.863 450 L CB -0.225 41.883 42.059 0.082 0.000 0.985 450 L HN 0.205 nan 8.230 nan 0.000 0.451 451 N N -0.162 118.530 118.700 -0.013 0.000 2.451 451 N HA 0.310 5.050 4.740 -0.000 0.000 0.271 451 N C -0.253 175.240 175.510 -0.029 0.000 1.410 451 N CA -0.052 52.988 53.050 -0.016 0.000 0.884 451 N CB 0.679 39.154 38.487 -0.019 0.000 1.332 451 N HN 0.088 nan 8.380 nan 0.000 0.498 452 A N 0.000 122.800 122.820 -0.033 0.000 2.254 452 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 452 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 452 A CB 0.000 18.959 19.000 -0.069 0.000 0.831 452 A HN 0.000 nan 8.150 nan 0.000 0.486