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 3ie1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGA AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 -0.014 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 2 R N 2.591 123.078 120.500 -0.022 0.000 2.774 2 R HA 0.778 5.121 4.340 0.006 0.000 0.272 2 R C -1.796 174.473 176.300 -0.053 0.000 1.000 2 R CA -0.933 55.144 56.100 -0.038 0.000 0.906 2 R CB 2.716 32.991 30.300 -0.041 0.000 1.227 2 R HN 0.622 nan 8.270 nan 0.000 0.468 3 I N 1.456 121.976 120.570 -0.083 0.000 2.447 3 I HA 0.296 4.470 4.170 0.006 0.000 0.287 3 I C -1.337 174.668 176.117 -0.185 0.000 1.023 3 I CA -0.583 60.648 61.300 -0.116 0.000 1.083 3 I CB 2.017 39.948 38.000 -0.115 0.000 1.245 3 I HN 0.278 nan 8.210 nan 0.000 0.434 4 V N 9.819 129.600 119.914 -0.223 0.000 2.328 4 V HA 0.442 4.565 4.120 0.006 0.000 0.278 4 V C -2.254 173.495 176.094 -0.575 0.000 1.021 4 V CA -1.724 60.325 62.300 -0.419 0.000 0.838 4 V CB 0.886 32.438 31.823 -0.452 0.000 0.999 4 V HN 0.625 nan 8.190 nan 0.000 0.447 5 P HA 0.186 nan 4.420 nan 0.000 0.267 5 P C -0.350 176.533 177.300 -0.696 0.000 1.209 5 P CA 0.238 63.102 63.100 -0.393 0.000 0.763 5 P CB 0.217 31.700 31.700 -0.362 0.000 0.816 6 F N 2.648 122.489 119.950 -0.182 0.000 2.764 6 F HA 0.499 5.029 4.527 0.005 0.000 0.310 6 F C 1.152 176.954 175.800 0.004 0.000 1.124 6 F CA 0.164 57.941 58.000 -0.372 0.000 1.252 6 F CB 0.527 39.399 39.000 -0.215 0.000 1.010 6 F HN 0.388 nan 8.300 nan 0.000 0.518 7 G N -1.507 107.429 108.800 0.226 0.000 2.328 7 G HA2 0.482 4.446 3.960 0.006 0.000 0.295 7 G HA3 0.482 4.446 3.960 0.006 0.000 0.295 7 G C -0.237 174.828 174.900 0.275 0.000 1.413 7 G CA -0.084 45.242 45.100 0.377 0.000 0.817 7 G HN 0.620 nan 8.290 nan 0.000 0.546 8 A N -2.014 120.949 122.820 0.238 0.000 2.783 8 A HA 0.308 4.632 4.320 0.006 0.000 0.292 8 A C 0.888 178.565 177.584 0.155 0.000 1.495 8 A CA 1.799 53.913 52.037 0.128 0.000 0.787 8 A CB -1.530 17.508 19.000 0.063 0.000 1.017 8 A HN 2.583 nan 8.150 nan 0.000 0.516 9 A N -0.335 122.595 122.820 0.184 0.000 2.258 9 A HA 0.722 5.046 4.320 0.006 0.000 0.316 9 A C 1.137 178.779 177.584 0.097 0.000 1.279 9 A CA 0.227 52.338 52.037 0.122 0.000 0.876 9 A CB 0.322 19.407 19.000 0.142 0.000 1.170 9 A HN 1.288 nan 8.150 nan 0.000 0.520 10 R N -0.130 120.405 120.500 0.059 0.000 4.000 10 R HA -0.219 4.124 4.340 0.006 0.000 0.362 10 R C 0.148 176.468 176.300 0.032 0.000 1.183 10 R CA 1.996 58.119 56.100 0.038 0.000 1.011 10 R CB -1.835 28.484 30.300 0.032 0.000 1.501 10 R HN 1.017 nan 8.270 nan 0.000 0.553 11 E N -1.585 118.640 120.200 0.041 0.000 2.460 11 E HA 0.423 4.777 4.350 0.006 0.000 0.277 11 E C 0.513 177.084 176.600 -0.047 0.000 1.010 11 E CA -0.415 55.997 56.400 0.019 0.000 0.838 11 E CB 1.212 30.951 29.700 0.066 0.000 1.448 11 E HN -0.047 nan 8.360 nan 0.000 0.462 12 V N -2.817 117.021 119.914 -0.126 0.000 3.379 12 V HA 0.138 4.261 4.120 0.006 0.000 0.249 12 V C 1.041 176.862 176.094 -0.456 0.000 1.184 12 V CA 1.070 63.115 62.300 -0.426 0.000 1.106 12 V CB -0.091 31.529 31.823 -0.337 0.000 0.826 12 V HN 0.788 nan 8.190 nan 0.000 0.465 13 T N -2.084 112.382 114.554 -0.147 0.000 2.810 13 T HA 0.561 4.914 4.350 0.006 0.000 0.277 13 T C 1.372 175.947 174.700 -0.207 0.000 0.973 13 T CA 0.563 62.591 62.100 -0.120 0.000 0.949 13 T CB 0.714 69.604 68.868 0.037 0.000 1.075 13 T HN 1.775 nan 8.240 nan 0.000 0.537 14 G N 0.147 108.601 108.800 -0.576 0.000 2.166 14 G HA2 -0.296 3.667 3.960 0.006 0.000 0.260 14 G HA3 -0.296 3.667 3.960 0.006 0.000 0.260 14 G C 0.344 174.908 174.900 -0.560 0.000 0.986 14 G CA 0.423 44.819 45.100 -1.173 0.000 0.683 14 G HN 1.185 nan 8.290 nan 0.000 0.527 15 S N 0.460 115.890 115.700 -0.450 0.000 3.106 15 S HA 0.426 4.900 4.470 0.006 0.000 0.363 15 S C 0.582 174.852 174.600 -0.550 0.000 1.191 15 S CA 1.091 59.003 58.200 -0.481 0.000 1.191 15 S CB -0.361 62.406 63.200 -0.722 0.000 0.884 15 S HN 1.927 nan 8.310 nan 0.000 0.526 16 A N 6.139 128.532 122.820 -0.713 0.000 2.500 16 A HA 0.568 4.892 4.320 0.006 0.000 0.291 16 A C -1.397 175.816 177.584 -0.618 0.000 1.048 16 A CA -0.802 50.905 52.037 -0.550 0.000 0.791 16 A CB 1.025 19.933 19.000 -0.154 0.000 1.309 16 A HN 0.804 nan 8.150 nan 0.000 0.397 17 H N 2.601 121.536 119.070 -0.224 0.000 2.823 17 H HA 0.376 4.935 4.556 0.005 0.000 0.332 17 H C -1.057 174.129 175.328 -0.236 0.000 0.980 17 H CA -0.829 55.056 56.048 -0.272 0.000 1.286 17 H CB 1.654 31.155 29.762 -0.435 0.000 1.541 17 H HN 0.545 nan 8.280 nan 0.000 0.521 18 L N 4.318 125.489 121.223 -0.086 0.000 2.369 18 L HA 0.135 4.478 4.340 0.006 0.000 0.279 18 L C -0.563 176.256 176.870 -0.086 0.000 1.108 18 L CA -0.448 54.302 54.840 -0.150 0.000 0.852 18 L CB 0.078 42.038 42.059 -0.165 0.000 1.169 18 L HN 0.442 nan 8.230 nan 0.000 0.452 19 L N 6.943 128.125 121.223 -0.069 0.000 2.264 19 L HA 0.472 4.815 4.340 0.006 0.000 0.289 19 L C -1.086 175.768 176.870 -0.027 0.000 1.044 19 L CA -0.012 54.807 54.840 -0.036 0.000 0.807 19 L CB 0.737 42.793 42.059 -0.005 0.000 1.192 19 L HN 0.516 nan 8.230 nan 0.000 0.425 20 L N 6.524 127.734 121.223 -0.021 0.000 2.294 20 L HA 0.900 5.243 4.340 0.006 0.000 0.283 20 L C -0.179 176.688 176.870 -0.006 0.000 1.015 20 L CA -0.360 54.474 54.840 -0.010 0.000 0.831 20 L CB 0.997 43.053 42.059 -0.006 0.000 1.217 20 L HN 0.867 nan 8.230 nan 0.000 0.420 21 A N 1.498 124.317 122.820 -0.001 0.000 2.566 21 A HA 0.659 4.983 4.320 0.006 0.000 0.290 21 A C 0.492 178.076 177.584 0.001 0.000 1.071 21 A CA 0.027 52.064 52.037 0.001 0.000 0.658 21 A CB 0.972 19.974 19.000 0.004 0.000 1.285 21 A HN 0.874 nan 8.150 nan 0.000 0.427 22 G N -0.758 108.042 108.800 0.000 0.000 2.244 22 G HA2 0.138 4.102 3.960 0.006 0.000 0.274 22 G HA3 0.138 4.102 3.960 0.006 0.000 0.274 22 G C 1.869 176.768 174.900 -0.000 0.000 1.002 22 G CA 1.874 46.973 45.100 -0.001 0.000 0.740 22 G HN 2.928 nan 8.290 nan 0.000 0.516 23 G N -1.919 106.881 108.800 0.001 0.000 2.184 23 G HA2 -0.274 3.689 3.960 0.006 0.000 0.264 23 G HA3 -0.274 3.689 3.960 0.006 0.000 0.264 23 G C 0.603 175.506 174.900 0.005 0.000 0.975 23 G CA 1.091 46.193 45.100 0.003 0.000 0.642 23 G HN 1.039 nan 8.290 nan 0.000 0.536 24 R N -0.140 120.363 120.500 0.005 0.000 2.643 24 R HA 0.697 5.040 4.340 0.006 0.000 0.272 24 R C 0.162 176.466 176.300 0.007 0.000 0.995 24 R CA -0.831 55.273 56.100 0.007 0.000 1.032 24 R CB 0.635 30.938 30.300 0.006 0.000 1.126 24 R HN 0.299 nan 8.270 nan 0.000 0.505 25 R N 0.867 121.374 120.500 0.012 0.000 2.363 25 R HA 0.332 4.675 4.340 0.006 0.000 0.297 25 R C -0.759 175.540 176.300 -0.002 0.000 1.208 25 R CA -0.505 55.597 56.100 0.003 0.000 1.121 25 R CB 1.441 31.749 30.300 0.013 0.000 1.124 25 R HN 0.224 nan 8.270 nan 0.000 0.561 26 V N 4.217 124.122 119.914 -0.015 0.000 2.465 26 V HA 0.276 4.399 4.120 0.006 0.000 0.279 26 V C 0.298 176.357 176.094 -0.058 0.000 1.045 26 V CA -0.630 61.660 62.300 -0.016 0.000 0.938 26 V CB 1.817 33.637 31.823 -0.005 0.000 0.986 26 V HN 0.554 nan 8.190 nan 0.000 0.467 27 L N 5.733 126.907 121.223 -0.081 0.000 2.272 27 L HA 0.474 4.817 4.340 0.006 0.000 0.289 27 L C -1.130 175.700 176.870 -0.067 0.000 1.032 27 L CA -0.735 54.016 54.840 -0.149 0.000 0.810 27 L CB 1.524 43.436 42.059 -0.246 0.000 1.205 27 L HN 0.496 nan 8.230 nan 0.000 0.422 28 L N 5.380 126.574 121.223 -0.050 0.000 2.259 28 L HA 0.396 4.739 4.340 0.006 0.000 0.288 28 L C -0.223 176.656 176.870 0.016 0.000 1.051 28 L CA 0.086 54.973 54.840 0.078 0.000 0.824 28 L CB 0.255 42.401 42.059 0.145 0.000 1.206 28 L HN 0.575 nan 8.230 nan 0.000 0.429 29 D N 1.263 121.710 120.400 0.078 0.000 10.957 29 D HA -0.272 4.371 4.640 0.006 0.000 0.361 29 D C -0.361 175.888 176.300 -0.084 0.000 3.111 29 D CA 0.440 54.456 54.000 0.027 0.000 2.605 29 D CB -0.200 40.646 40.800 0.077 0.000 1.159 29 D HN 0.683 nan 8.370 nan 0.000 0.941 30 C N 2.220 121.480 119.300 -0.067 0.000 3.173 30 C HA 0.543 5.006 4.460 0.006 0.000 0.209 30 C C 0.605 175.580 174.990 -0.024 0.000 1.229 30 C CA 0.428 59.419 59.018 -0.045 0.000 1.109 30 C CB -0.598 27.120 27.740 -0.037 0.000 1.833 30 C HN 0.652 nan 8.230 nan 0.000 0.626 31 G N 2.395 111.121 108.800 -0.123 0.000 2.504 31 G HA2 0.588 4.552 3.960 0.006 0.000 0.288 31 G HA3 0.588 4.552 3.960 0.006 0.000 0.288 31 G C -0.165 174.613 174.900 -0.203 0.000 1.182 31 G CA -0.537 44.483 45.100 -0.133 0.000 0.894 31 G HN 0.817 nan 8.290 nan 0.000 0.521 32 M N -0.432 119.099 119.600 -0.115 0.000 2.368 32 M HA 0.699 5.182 4.480 0.006 0.000 0.311 32 M C -1.112 175.030 176.300 -0.264 0.000 1.168 32 M CA -0.481 54.738 55.300 -0.136 0.000 1.044 32 M CB 1.084 33.778 32.600 0.156 0.000 1.506 32 M HN 0.217 nan 8.290 nan 0.000 0.475 33 F N 0.861 120.805 119.950 -0.009 0.000 2.370 33 F HA 0.444 4.974 4.527 0.004 0.000 0.324 33 F C 0.319 176.121 175.800 0.003 0.000 1.116 33 F CA -0.077 57.910 58.000 -0.021 0.000 1.123 33 F CB 1.056 40.024 39.000 -0.052 0.000 1.238 33 F HN 0.548 nan 8.300 nan 0.000 0.536 34 Q N 0.551 120.466 119.800 0.191 0.000 2.389 34 Q HA 0.561 4.905 4.340 0.006 0.000 0.277 34 Q C 0.309 176.375 176.000 0.109 0.000 1.082 34 Q CA -0.453 55.427 55.803 0.128 0.000 0.810 34 Q CB 2.524 31.319 28.738 0.094 0.000 1.374 34 Q HN 0.865 nan 8.270 nan 0.000 0.422 35 G N 2.153 111.010 108.800 0.094 0.000 2.720 35 G HA2 -0.400 3.563 3.960 0.006 0.000 0.293 35 G HA3 -0.400 3.563 3.960 0.006 0.000 0.293 35 G C 0.661 175.594 174.900 0.056 0.000 1.256 35 G CA 0.560 45.706 45.100 0.077 0.000 0.974 35 G HN 0.573 nan 8.290 nan 0.000 0.551 36 K N 1.012 121.437 120.400 0.042 0.000 2.103 36 K HA 0.040 4.364 4.320 0.006 0.000 0.204 36 K C 2.086 178.675 176.600 -0.018 0.000 1.052 36 K CA 1.445 57.739 56.287 0.012 0.000 0.945 36 K CB -0.117 32.385 32.500 0.004 0.000 0.722 36 K HN 0.468 nan 8.250 nan 0.000 0.443 37 E N 1.213 121.403 120.200 -0.016 0.000 2.427 37 E HA -0.099 4.254 4.350 0.006 0.000 0.196 37 E C 1.449 178.018 176.600 -0.051 0.000 1.028 37 E CA 0.302 56.637 56.400 -0.108 0.000 0.864 37 E CB -0.006 29.603 29.700 -0.151 0.000 0.813 37 E HN 0.325 nan 8.360 nan 0.000 0.514 38 E N 1.112 121.335 120.200 0.038 0.000 2.196 38 E HA -0.326 4.028 4.350 0.006 0.000 0.222 38 E C 1.898 178.487 176.600 -0.018 0.000 1.072 38 E CA 1.885 58.316 56.400 0.051 0.000 0.902 38 E CB -0.098 29.640 29.700 0.062 0.000 0.780 38 E HN 0.282 nan 8.360 nan 0.000 0.467 39 A N 1.007 123.819 122.820 -0.013 0.000 1.908 39 A HA -0.213 4.110 4.320 0.006 0.000 0.218 39 A C 1.962 179.506 177.584 -0.065 0.000 1.181 39 A CA 1.651 53.705 52.037 0.029 0.000 0.627 39 A CB -0.553 18.466 19.000 0.031 0.000 0.818 39 A HN 0.212 nan 8.150 nan 0.000 0.445 40 R N -0.074 120.325 120.500 -0.168 0.000 2.371 40 R HA -0.121 4.222 4.340 0.006 0.000 0.226 40 R C 1.472 177.664 176.300 -0.179 0.000 1.132 40 R CA 1.201 57.144 56.100 -0.262 0.000 1.027 40 R CB -0.604 29.328 30.300 -0.614 0.000 0.848 40 R HN 0.699 nan 8.270 nan 0.000 0.479 41 N N -0.479 118.075 118.700 -0.243 0.000 2.396 41 N HA -0.088 4.655 4.740 0.006 0.000 0.180 41 N C 1.235 176.254 175.510 -0.818 0.000 1.028 41 N CA 0.333 53.027 53.050 -0.593 0.000 0.893 41 N CB 0.137 38.101 38.487 -0.871 0.000 0.967 41 N HN 0.319 nan 8.380 nan 0.000 0.440 42 H N 0.523 119.383 119.070 -0.350 0.000 2.415 42 H HA 0.171 4.730 4.556 0.005 0.000 0.297 42 H C 1.122 176.320 175.328 -0.216 0.000 1.048 42 H CA 0.448 56.359 56.048 -0.229 0.000 1.365 42 H CB -0.268 29.433 29.762 -0.103 0.000 1.421 42 H HN 0.160 nan 8.280 nan 0.000 0.533 43 A N 3.087 125.853 122.820 -0.090 0.000 2.433 43 A HA 0.132 4.455 4.320 0.006 0.000 0.250 43 A C -1.692 175.785 177.584 -0.178 0.000 1.113 43 A CA -0.657 51.312 52.037 -0.115 0.000 0.794 43 A CB -0.541 18.381 19.000 -0.130 0.000 1.067 43 A HN 0.113 nan 8.150 nan 0.000 0.510 44 P HA 0.218 nan 4.420 nan 0.000 0.278 44 P C 0.162 177.394 177.300 -0.112 0.000 1.238 44 P CA -0.273 62.735 63.100 -0.153 0.000 0.794 44 P CB 0.452 32.115 31.700 -0.061 0.000 0.955 45 F N 1.514 121.363 119.950 -0.168 0.000 2.091 45 F HA -0.085 4.445 4.527 0.005 0.000 0.299 45 F C 2.255 178.033 175.800 -0.038 0.000 1.103 45 F CA 2.849 60.700 58.000 -0.249 0.000 1.228 45 F CB -1.055 37.322 39.000 -1.038 0.000 0.984 45 F HN 0.649 nan 8.300 nan 0.000 0.477 46 G N -1.446 107.399 108.800 0.075 0.000 2.192 46 G HA2 -0.169 3.794 3.960 0.006 0.000 0.193 46 G HA3 -0.169 3.794 3.960 0.006 0.000 0.193 46 G C 0.010 174.944 174.900 0.056 0.000 0.999 46 G CA -0.142 45.102 45.100 0.239 0.000 0.659 46 G HN 0.482 nan 8.290 nan 0.000 0.503 47 F N -0.412 119.359 119.950 -0.299 0.000 2.662 47 F HA 0.771 5.299 4.527 0.002 0.000 0.312 47 F C -0.879 174.836 175.800 -0.142 0.000 1.113 47 F CA -2.207 55.615 58.000 -0.296 0.000 0.951 47 F CB 0.870 39.516 39.000 -0.590 0.000 1.344 47 F HN -0.031 nan 8.300 nan 0.000 0.462 48 D N 3.380 123.758 120.400 -0.037 0.000 2.365 48 D HA 0.371 5.014 4.640 0.006 0.000 0.237 48 D C -1.508 174.746 176.300 -0.076 0.000 1.190 48 D CA -2.445 51.505 54.000 -0.084 0.000 0.867 48 D CB 1.278 42.074 40.800 -0.007 0.000 1.050 48 D HN 0.253 nan 8.370 nan 0.000 0.491 49 P HA -0.230 nan 4.420 nan 0.000 0.216 49 P C 0.710 178.028 177.300 0.029 0.000 1.150 49 P CA 1.274 64.278 63.100 -0.160 0.000 0.843 49 P CB 0.253 31.817 31.700 -0.226 0.000 0.787 50 K N -0.370 120.021 120.400 -0.016 0.000 2.280 50 K HA -0.083 4.241 4.320 0.006 0.000 0.202 50 K C 1.526 178.115 176.600 -0.018 0.000 1.047 50 K CA 0.744 57.010 56.287 -0.036 0.000 0.942 50 K CB -0.124 32.351 32.500 -0.042 0.000 0.739 50 K HN 0.157 nan 8.250 nan 0.000 0.457 51 E N 0.952 121.167 120.200 0.025 0.000 2.419 51 E HA 0.049 4.403 4.350 0.006 0.000 0.190 51 E C -0.585 176.055 176.600 0.066 0.000 1.040 51 E CA 0.085 56.505 56.400 0.033 0.000 0.900 51 E CB 0.450 30.173 29.700 0.038 0.000 1.054 51 E HN -0.042 nan 8.360 nan 0.000 0.462 52 V N 1.803 121.792 119.914 0.125 0.000 2.439 52 V HA 0.056 4.179 4.120 0.006 0.000 0.282 52 V C 1.178 177.393 176.094 0.203 0.000 1.039 52 V CA -0.344 62.063 62.300 0.178 0.000 0.913 52 V CB 1.713 33.665 31.823 0.215 0.000 0.983 52 V HN 0.019 nan 8.190 nan 0.000 0.460 53 D N 3.117 123.591 120.400 0.122 0.000 2.194 53 D HA 0.223 4.867 4.640 0.006 0.000 0.204 53 D C 0.601 176.993 176.300 0.153 0.000 0.964 53 D CA 1.411 55.466 54.000 0.091 0.000 0.846 53 D CB 0.692 41.522 40.800 0.048 0.000 0.962 53 D HN 0.729 nan 8.370 nan 0.000 0.490 54 A N -0.250 122.695 122.820 0.208 0.000 2.594 54 A HA 0.387 4.711 4.320 0.006 0.000 0.301 54 A C -1.444 176.223 177.584 0.139 0.000 1.022 54 A CA -0.603 51.589 52.037 0.258 0.000 0.738 54 A CB 0.855 19.969 19.000 0.190 0.000 1.263 54 A HN -0.033 nan 8.150 nan 0.000 0.409 55 V N 2.655 122.645 119.914 0.127 0.000 2.581 55 V HA 0.893 5.017 4.120 0.006 0.000 0.303 55 V C -1.387 174.788 176.094 0.135 0.000 1.041 55 V CA -0.784 61.531 62.300 0.024 0.000 0.907 55 V CB 1.375 33.104 31.823 -0.158 0.000 0.994 55 V HN 0.937 nan 8.190 nan 0.000 0.442 56 L N 6.166 127.463 121.223 0.123 0.000 2.329 56 L HA 0.646 4.990 4.340 0.006 0.000 0.279 56 L C -0.626 176.388 176.870 0.240 0.000 1.014 56 L CA -0.318 54.651 54.840 0.215 0.000 0.814 56 L CB 1.587 43.758 42.059 0.188 0.000 1.257 56 L HN 0.591 nan 8.230 nan 0.000 0.424 57 L N 1.966 123.355 121.223 0.277 0.000 2.313 57 L HA 0.451 4.794 4.340 0.006 0.000 0.283 57 L C 1.345 178.241 176.870 0.043 0.000 1.013 57 L CA 0.042 54.966 54.840 0.139 0.000 0.816 57 L CB 1.646 43.742 42.059 0.062 0.000 1.236 57 L HN 0.838 nan 8.230 nan 0.000 0.419 58 T N -0.839 113.706 114.554 -0.015 0.000 2.812 58 T HA 0.030 4.383 4.350 0.006 0.000 0.264 58 T C 0.556 175.161 174.700 -0.159 0.000 1.042 58 T CA 1.169 63.165 62.100 -0.174 0.000 1.140 58 T CB -0.248 68.580 68.868 -0.066 0.000 0.870 58 T HN 0.660 nan 8.240 nan 0.000 0.445 59 H N -2.002 116.937 119.070 -0.218 0.000 2.948 59 H HA 0.665 5.225 4.556 0.006 0.000 0.315 59 H C 0.380 175.607 175.328 -0.167 0.000 1.360 59 H CA -0.476 55.422 56.048 -0.251 0.000 1.125 59 H CB 1.158 30.750 29.762 -0.284 0.000 1.844 59 H HN 0.072 nan 8.280 nan 0.000 0.529 60 A N 0.042 122.806 122.820 -0.093 0.000 2.238 60 A HA 0.034 4.357 4.320 0.006 0.000 0.208 60 A C 0.389 177.961 177.584 -0.020 0.000 1.177 60 A CA -0.037 51.942 52.037 -0.096 0.000 0.804 60 A CB -1.309 17.625 19.000 -0.109 0.000 0.823 60 A HN 0.664 nan 8.150 nan 0.000 0.482 61 H N -1.267 117.834 119.070 0.050 0.000 2.972 61 H HA 0.070 4.629 4.556 0.005 0.000 0.343 61 H C 1.261 176.603 175.328 0.023 0.000 1.054 61 H CA -0.310 55.781 56.048 0.071 0.000 1.412 61 H CB 0.766 30.672 29.762 0.240 0.000 1.385 61 H HN 0.225 nan 8.280 nan 0.000 0.600 62 L N 2.553 123.883 121.223 0.178 0.000 2.187 62 L HA -0.192 4.151 4.340 0.006 0.000 0.213 62 L C 1.912 178.840 176.870 0.096 0.000 1.100 62 L CA 1.728 56.634 54.840 0.110 0.000 0.765 62 L CB -0.359 41.757 42.059 0.095 0.000 0.904 62 L HN 0.794 nan 8.230 nan 0.000 0.437 63 D N -2.877 117.602 120.400 0.132 0.000 2.336 63 D HA -0.153 4.491 4.640 0.006 0.000 0.229 63 D C 0.970 177.254 176.300 -0.027 0.000 1.061 63 D CA 0.665 54.700 54.000 0.059 0.000 0.875 63 D CB -0.255 40.592 40.800 0.078 0.000 0.904 63 D HN 0.561 nan 8.370 nan 0.000 0.525 64 H N -1.017 118.002 119.070 -0.084 0.000 3.398 64 H HA 0.232 4.791 4.556 0.006 0.000 0.260 64 H C 0.700 175.957 175.328 -0.119 0.000 1.189 64 H CA 0.052 56.013 56.048 -0.144 0.000 1.145 64 H CB 1.806 31.358 29.762 -0.351 0.000 1.599 64 H HN 0.038 nan 8.280 nan 0.000 0.615 65 V N -0.995 118.934 119.914 0.026 0.000 3.264 65 V HA 0.064 4.187 4.120 0.006 0.000 0.262 65 V C 2.297 178.404 176.094 0.021 0.000 1.616 65 V CA 0.866 63.172 62.300 0.009 0.000 1.033 65 V CB 0.875 32.693 31.823 -0.008 0.000 0.865 65 V HN 0.423 nan 8.190 nan 0.000 0.420 66 G N 0.654 109.487 108.800 0.056 0.000 2.532 66 G HA2 -0.256 3.707 3.960 0.006 0.000 0.222 66 G HA3 -0.256 3.707 3.960 0.006 0.000 0.222 66 G C 1.508 176.532 174.900 0.207 0.000 1.102 66 G CA 1.081 46.258 45.100 0.127 0.000 0.742 66 G HN 0.447 nan 8.290 nan 0.000 0.577 67 R N -1.160 119.444 120.500 0.173 0.000 2.308 67 R HA 0.256 4.599 4.340 0.006 0.000 0.202 67 R C 2.143 178.592 176.300 0.249 0.000 0.898 67 R CA -0.327 55.949 56.100 0.294 0.000 1.046 67 R CB -0.142 30.320 30.300 0.270 0.000 1.026 67 R HN 0.317 nan 8.270 nan 0.000 0.512 68 L N 2.955 124.241 121.223 0.105 0.000 1.997 68 L HA -0.156 4.188 4.340 0.006 0.000 0.216 68 L C -0.984 175.974 176.870 0.146 0.000 1.074 68 L CA 2.222 57.122 54.840 0.101 0.000 0.763 68 L CB -0.840 41.246 42.059 0.045 0.000 0.890 68 L HN 0.051 nan 8.230 nan 0.000 0.434 69 P HA -0.230 nan 4.420 nan 0.000 0.221 69 P C 1.335 178.671 177.300 0.059 0.000 1.145 69 P CA 1.652 64.631 63.100 -0.202 0.000 0.795 69 P CB -0.057 31.097 31.700 -0.910 0.000 0.775 70 K N -0.404 120.129 120.400 0.221 0.000 2.076 70 K HA -0.070 4.254 4.320 0.006 0.000 0.204 70 K C 2.224 179.080 176.600 0.427 0.000 1.051 70 K CA 0.396 56.918 56.287 0.391 0.000 0.949 70 K CB -0.657 32.114 32.500 0.451 0.000 0.726 70 K HN -0.110 nan 8.250 nan 0.000 0.443 71 L N 0.831 122.326 121.223 0.455 0.000 2.010 71 L HA -0.216 4.127 4.340 0.006 0.000 0.219 71 L C 1.965 178.884 176.870 0.082 0.000 1.077 71 L CA 1.918 56.833 54.840 0.125 0.000 0.773 71 L CB -0.526 41.397 42.059 -0.227 0.000 0.892 71 L HN 0.188 nan 8.230 nan 0.000 0.436 72 F N -0.804 119.202 119.950 0.093 0.000 2.186 72 F HA -0.121 4.412 4.527 0.010 0.000 0.299 72 F C 2.668 178.521 175.800 0.089 0.000 1.090 72 F CA 1.445 59.497 58.000 0.087 0.000 1.307 72 F CB -0.506 38.516 39.000 0.037 0.000 1.019 72 F HN 0.048 nan 8.300 nan 0.000 0.489 73 R N 1.034 121.705 120.500 0.284 0.000 2.200 73 R HA -0.139 4.205 4.340 0.006 0.000 0.234 73 R C 0.633 177.031 176.300 0.163 0.000 1.127 73 R CA 1.409 57.636 56.100 0.212 0.000 0.989 73 R CB -0.219 30.219 30.300 0.229 0.000 0.869 73 R HN 0.356 nan 8.270 nan 0.000 0.459 74 E N -1.364 118.931 120.200 0.160 0.000 2.496 74 E HA 0.160 4.513 4.350 0.006 0.000 0.200 74 E C 0.506 177.138 176.600 0.053 0.000 1.016 74 E CA 0.339 56.803 56.400 0.107 0.000 0.962 74 E CB 1.249 31.032 29.700 0.138 0.000 1.071 74 E HN 0.565 nan 8.360 nan 0.000 0.457 75 G N 1.437 110.264 108.800 0.045 0.000 2.307 75 G HA2 -0.317 3.646 3.960 0.006 0.000 0.210 75 G HA3 -0.317 3.646 3.960 0.006 0.000 0.210 75 G C 0.057 174.897 174.900 -0.099 0.000 1.005 75 G CA -0.269 44.825 45.100 -0.011 0.000 0.634 75 G HN 0.395 nan 8.290 nan 0.000 0.496 76 Y N 1.559 121.681 120.300 -0.297 0.000 2.788 76 Y HA 0.410 4.963 4.550 0.005 0.000 0.341 76 Y C 1.432 176.951 175.900 -0.635 0.000 1.258 76 Y CA 1.252 59.035 58.100 -0.528 0.000 1.503 76 Y CB 0.608 38.587 38.460 -0.802 0.000 1.325 76 Y HN 0.132 nan 8.280 nan 0.000 0.614 77 R N 2.683 122.486 120.500 -1.161 0.000 2.496 77 R HA 0.256 4.600 4.340 0.006 0.000 0.369 77 R C 0.304 176.207 176.300 -0.662 0.000 0.896 77 R CA 0.290 55.984 56.100 -0.676 0.000 1.147 77 R CB 0.224 30.370 30.300 -0.256 0.000 1.697 77 R HN 0.831 nan 8.270 nan 0.000 0.518 78 G N 0.930 108.893 108.800 -1.394 0.000 2.553 78 G HA2 0.327 4.290 3.960 0.006 0.000 0.278 78 G HA3 0.327 4.290 3.960 0.006 0.000 0.278 78 G C -2.344 172.677 174.900 0.201 0.000 1.349 78 G CA -0.925 43.859 45.100 -0.527 0.000 1.037 78 G HN -0.059 nan 8.290 nan 0.000 0.508 79 P HA 0.341 nan 4.420 nan 0.000 0.281 79 P C -0.889 176.658 177.300 0.412 0.000 1.249 79 P CA -0.373 62.940 63.100 0.355 0.000 0.810 79 P CB 1.857 33.744 31.700 0.313 0.000 1.008 80 V N 3.386 123.459 119.914 0.266 0.000 2.340 80 V HA 0.222 4.345 4.120 0.006 0.000 0.277 80 V C -0.542 175.607 176.094 0.091 0.000 1.017 80 V CA -0.548 61.888 62.300 0.227 0.000 0.820 80 V CB -0.013 31.951 31.823 0.236 0.000 1.028 80 V HN 0.387 nan 8.190 nan 0.000 0.436 81 Y N 2.906 123.252 120.300 0.076 0.000 2.304 81 Y HA 0.741 5.294 4.550 0.005 0.000 0.328 81 Y C 0.621 176.597 175.900 0.126 0.000 1.123 81 Y CA 0.272 58.397 58.100 0.040 0.000 1.218 81 Y CB 1.594 40.009 38.460 -0.074 0.000 1.207 81 Y HN 0.766 nan 8.280 nan 0.000 0.495 82 A N 0.792 123.764 122.820 0.254 0.000 2.524 82 A HA 0.733 5.056 4.320 0.006 0.000 0.303 82 A C -0.537 177.168 177.584 0.201 0.000 1.195 82 A CA -0.557 51.646 52.037 0.276 0.000 0.651 82 A CB 0.536 19.581 19.000 0.074 0.000 1.323 82 A HN 0.600 nan 8.150 nan 0.000 0.479 83 T N -1.821 112.739 114.554 0.010 0.000 2.918 83 T HA 0.458 4.811 4.350 0.006 0.000 0.283 83 T C 1.028 175.675 174.700 -0.087 0.000 1.001 83 T CA -0.327 61.737 62.100 -0.060 0.000 1.041 83 T CB 1.325 70.036 68.868 -0.263 0.000 1.028 83 T HN 0.686 nan 8.240 nan 0.000 0.511 84 R N 0.457 120.962 120.500 0.009 0.000 2.105 84 R HA -0.130 4.214 4.340 0.006 0.000 0.239 84 R C 2.528 178.745 176.300 -0.138 0.000 1.135 84 R CA 1.531 57.629 56.100 -0.003 0.000 0.967 84 R CB -0.977 29.391 30.300 0.112 0.000 0.861 84 R HN 0.871 nan 8.270 nan 0.000 0.442 85 A N -0.041 122.525 122.820 -0.424 0.000 1.865 85 A HA -0.182 4.142 4.320 0.006 0.000 0.217 85 A C 2.178 179.520 177.584 -0.404 0.000 1.191 85 A CA 2.232 53.867 52.037 -0.670 0.000 0.623 85 A CB -1.004 17.018 19.000 -1.630 0.000 0.826 85 A HN 0.403 nan 8.150 nan 0.000 0.444 86 T N -0.242 114.089 114.554 -0.371 0.000 2.746 86 T HA -0.120 4.233 4.350 0.006 0.000 0.267 86 T C 1.880 176.489 174.700 -0.152 0.000 1.039 86 T CA 1.567 63.524 62.100 -0.238 0.000 1.142 86 T CB -0.517 68.228 68.868 -0.205 0.000 0.866 86 T HN 0.170 nan 8.240 nan 0.000 0.444 87 V N 1.555 121.392 119.914 -0.129 0.000 2.295 87 V HA -0.140 3.984 4.120 0.006 0.000 0.246 87 V C 2.504 178.552 176.094 -0.077 0.000 1.049 87 V CA 1.568 63.817 62.300 -0.085 0.000 1.024 87 V CB -0.746 31.038 31.823 -0.066 0.000 0.648 87 V HN 0.426 nan 8.190 nan 0.000 0.447 88 L N -0.932 120.242 121.223 -0.081 0.000 2.027 88 L HA -0.158 4.186 4.340 0.006 0.000 0.206 88 L C 2.451 179.293 176.870 -0.048 0.000 1.074 88 L CA 1.395 56.203 54.840 -0.053 0.000 0.745 88 L CB -0.563 41.474 42.059 -0.037 0.000 0.898 88 L HN 0.279 nan 8.230 nan 0.000 0.433 89 L N -0.791 120.390 121.223 -0.070 0.000 1.989 89 L HA -0.302 4.041 4.340 0.006 0.000 0.211 89 L C 2.736 179.580 176.870 -0.043 0.000 1.071 89 L CA 1.583 56.392 54.840 -0.051 0.000 0.749 89 L CB -0.426 41.580 42.059 -0.088 0.000 0.890 89 L HN 0.329 nan 8.230 nan 0.000 0.431 90 M N -0.028 119.536 119.600 -0.059 0.000 2.116 90 M HA -0.349 4.134 4.480 0.006 0.000 0.255 90 M C 2.179 178.457 176.300 -0.036 0.000 1.075 90 M CA 2.269 57.540 55.300 -0.048 0.000 1.087 90 M CB -0.209 32.354 32.600 -0.061 0.000 1.340 90 M HN 0.237 nan 8.290 nan 0.000 0.402 91 E N 0.195 120.373 120.200 -0.038 0.000 2.058 91 E HA -0.228 4.126 4.350 0.006 0.000 0.194 91 E C 1.794 178.387 176.600 -0.012 0.000 0.997 91 E CA 2.077 58.460 56.400 -0.030 0.000 0.801 91 E CB -0.273 29.410 29.700 -0.029 0.000 0.746 91 E HN 0.715 nan 8.360 nan 0.000 0.450 92 I N 0.315 120.881 120.570 -0.008 0.000 2.202 92 I HA -0.254 3.919 4.170 0.006 0.000 0.242 92 I C 2.386 178.512 176.117 0.015 0.000 1.091 92 I CA 0.705 62.007 61.300 0.003 0.000 1.368 92 I CB -0.264 37.736 38.000 0.000 0.000 1.058 92 I HN 0.078 nan 8.210 nan 0.000 0.410 93 V N 0.820 120.743 119.914 0.015 0.000 2.252 93 V HA -0.300 3.824 4.120 0.006 0.000 0.249 93 V C 2.429 178.551 176.094 0.048 0.000 1.056 93 V CA 1.719 64.040 62.300 0.034 0.000 1.022 93 V CB -0.653 31.188 31.823 0.031 0.000 0.641 93 V HN 0.264 nan 8.190 nan 0.000 0.445 94 L N -0.108 121.135 121.223 0.033 0.000 1.976 94 L HA -0.111 4.233 4.340 0.006 0.000 0.209 94 L C 2.612 179.540 176.870 0.095 0.000 1.071 94 L CA 1.702 56.577 54.840 0.058 0.000 0.746 94 L CB -1.439 40.610 42.059 -0.016 0.000 0.890 94 L HN 0.317 nan 8.230 nan 0.000 0.432 95 E N -0.222 120.011 120.200 0.056 0.000 2.136 95 E HA -0.306 4.048 4.350 0.006 0.000 0.202 95 E C 1.895 178.524 176.600 0.048 0.000 1.019 95 E CA 1.652 58.083 56.400 0.051 0.000 0.819 95 E CB -0.555 29.160 29.700 0.025 0.000 0.739 95 E HN 0.605 nan 8.360 nan 0.000 0.458 96 D N 0.226 120.653 120.400 0.046 0.000 2.097 96 D HA -0.093 4.551 4.640 0.006 0.000 0.197 96 D C 1.909 178.236 176.300 0.045 0.000 0.984 96 D CA 1.361 55.384 54.000 0.039 0.000 0.826 96 D CB 0.118 40.944 40.800 0.042 0.000 0.973 96 D HN 0.070 nan 8.370 nan 0.000 0.460 97 A N 1.494 124.360 122.820 0.075 0.000 1.927 97 A HA -0.184 4.139 4.320 0.006 0.000 0.220 97 A C 2.590 180.173 177.584 -0.001 0.000 1.185 97 A CA 1.138 53.224 52.037 0.082 0.000 0.639 97 A CB -0.971 18.134 19.000 0.175 0.000 0.820 97 A HN 0.390 nan 8.150 nan 0.000 0.451 98 L N -0.801 120.429 121.223 0.011 0.000 1.971 98 L HA -0.257 4.086 4.340 0.006 0.000 0.215 98 L C 2.687 179.487 176.870 -0.117 0.000 1.072 98 L CA 2.167 56.924 54.840 -0.137 0.000 0.758 98 L CB -0.412 41.632 42.059 -0.026 0.000 0.889 98 L HN 0.409 nan 8.230 nan 0.000 0.433 99 K N -0.799 119.573 120.400 -0.046 0.000 2.147 99 K HA -0.137 4.186 4.320 0.006 0.000 0.205 99 K C 1.815 178.398 176.600 -0.028 0.000 1.049 99 K CA 1.194 57.460 56.287 -0.034 0.000 0.936 99 K CB -0.086 32.407 32.500 -0.012 0.000 0.722 99 K HN 0.226 nan 8.250 nan 0.000 0.446 100 V N 1.115 121.018 119.914 -0.018 0.000 2.719 100 V HA -0.081 4.042 4.120 0.006 0.000 0.252 100 V C 1.332 177.419 176.094 -0.012 0.000 1.065 100 V CA 0.636 62.936 62.300 0.001 0.000 1.086 100 V CB -0.349 31.491 31.823 0.029 0.000 0.700 100 V HN 0.318 nan 8.190 nan 0.000 0.467 101 M N 2.005 121.571 119.600 -0.057 0.000 2.238 101 M HA 0.017 4.501 4.480 0.006 0.000 0.350 101 M C 1.426 177.700 176.300 -0.044 0.000 1.321 101 M CA 0.012 55.272 55.300 -0.067 0.000 1.097 101 M CB 0.687 33.171 32.600 -0.193 0.000 1.713 101 M HN 0.411 nan 8.290 nan 0.000 0.455 102 D N 2.929 123.332 120.400 0.006 0.000 2.106 102 D HA -0.092 4.551 4.640 0.006 0.000 0.203 102 D C -0.115 176.204 176.300 0.032 0.000 0.977 102 D CA 1.211 55.224 54.000 0.022 0.000 0.844 102 D CB -0.031 40.797 40.800 0.046 0.000 1.002 102 D HN 0.441 nan 8.370 nan 0.000 0.461 103 E N 2.222 122.477 120.200 0.091 0.000 2.261 103 E HA 0.226 4.580 4.350 0.006 0.000 0.239 103 E C -2.157 174.540 176.600 0.162 0.000 0.991 103 E CA -2.029 54.473 56.400 0.170 0.000 0.847 103 E CB 1.291 31.216 29.700 0.376 0.000 1.223 103 E HN 0.339 nan 8.360 nan 0.000 0.446 104 P HA -0.053 nan 4.420 nan 0.000 0.263 104 P C 0.248 177.457 177.300 -0.152 0.000 1.247 104 P CA -0.082 62.849 63.100 -0.282 0.000 0.876 104 P CB -0.559 30.955 31.700 -0.310 0.000 0.928 105 F N 3.671 123.568 119.950 -0.088 0.000 2.695 105 F HA 0.379 4.909 4.527 0.005 0.000 0.301 105 F C -0.040 175.855 175.800 0.158 0.000 1.182 105 F CA -1.183 56.869 58.000 0.087 0.000 1.412 105 F CB -0.854 38.163 39.000 0.027 0.000 1.056 105 F HN 0.138 nan 8.300 nan 0.000 0.522 106 F N -1.759 118.072 119.950 -0.198 0.000 2.842 106 F HA 0.816 5.346 4.527 0.006 0.000 0.319 106 F C -0.508 175.219 175.800 -0.122 0.000 1.159 106 F CA -1.365 56.556 58.000 -0.131 0.000 0.902 106 F CB 0.661 39.541 39.000 -0.199 0.000 1.311 106 F HN 0.041 nan 8.300 nan 0.000 0.453 107 G N -0.351 108.638 108.800 0.315 0.000 2.766 107 G HA2 0.605 4.569 3.960 0.006 0.000 0.288 107 G HA3 0.605 4.569 3.960 0.006 0.000 0.288 107 G C -2.708 172.328 174.900 0.226 0.000 1.408 107 G CA -1.557 43.636 45.100 0.156 0.000 0.852 107 G HN 0.451 nan 8.290 nan 0.000 0.487 108 P HA -0.219 nan 4.420 nan 0.000 0.217 108 P C 1.401 178.741 177.300 0.067 0.000 1.151 108 P CA 1.871 65.023 63.100 0.086 0.000 0.849 108 P CB 0.151 31.878 31.700 0.045 0.000 0.787 109 E N 0.440 120.681 120.200 0.070 0.000 2.106 109 E HA -0.191 4.162 4.350 0.006 0.000 0.192 109 E C 1.454 178.087 176.600 0.055 0.000 0.984 109 E CA 1.228 57.662 56.400 0.056 0.000 0.806 109 E CB -1.129 28.607 29.700 0.061 0.000 0.750 109 E HN 0.277 nan 8.360 nan 0.000 0.458 110 D N 1.275 121.728 120.400 0.089 0.000 2.123 110 D HA -0.069 4.575 4.640 0.006 0.000 0.200 110 D C 2.339 178.603 176.300 -0.060 0.000 0.976 110 D CA 1.101 55.139 54.000 0.062 0.000 0.831 110 D CB -0.071 40.808 40.800 0.132 0.000 0.974 110 D HN 0.097 nan 8.370 nan 0.000 0.469 111 V N 1.578 121.461 119.914 -0.051 0.000 2.295 111 V HA -0.234 3.890 4.120 0.006 0.000 0.246 111 V C 2.552 178.575 176.094 -0.118 0.000 1.049 111 V CA 1.825 64.049 62.300 -0.126 0.000 1.024 111 V CB -0.535 31.274 31.823 -0.024 0.000 0.648 111 V HN 0.217 nan 8.190 nan 0.000 0.447 112 E N 0.044 120.207 120.200 -0.061 0.000 2.058 112 E HA -0.322 4.032 4.350 0.006 0.000 0.194 112 E C 2.190 178.731 176.600 -0.099 0.000 0.997 112 E CA 1.823 58.185 56.400 -0.063 0.000 0.801 112 E CB -0.053 29.632 29.700 -0.026 0.000 0.746 112 E HN 0.611 nan 8.360 nan 0.000 0.450 113 E N 0.307 120.449 120.200 -0.097 0.000 2.077 113 E HA -0.141 4.212 4.350 0.006 0.000 0.193 113 E C 1.735 178.099 176.600 -0.392 0.000 0.989 113 E CA 1.460 57.795 56.400 -0.108 0.000 0.800 113 E CB -0.345 29.349 29.700 -0.010 0.000 0.746 113 E HN 0.370 nan 8.360 nan 0.000 0.452 114 A N 0.490 122.945 122.820 -0.608 0.000 1.851 114 A HA -0.173 4.151 4.320 0.006 0.000 0.216 114 A C 2.321 179.606 177.584 -0.498 0.000 1.195 114 A CA 1.637 53.088 52.037 -0.977 0.000 0.622 114 A CB -0.974 17.718 19.000 -0.512 0.000 0.831 114 A HN 0.328 nan 8.150 nan 0.000 0.444 115 L N -0.480 120.579 121.223 -0.273 0.000 2.127 115 L HA -0.171 4.172 4.340 0.006 0.000 0.211 115 L C 2.750 179.535 176.870 -0.142 0.000 1.089 115 L CA 0.975 55.717 54.840 -0.164 0.000 0.757 115 L CB -0.810 41.178 42.059 -0.119 0.000 0.899 115 L HN 0.530 nan 8.230 nan 0.000 0.434 116 G N -1.178 107.528 108.800 -0.156 0.000 2.462 116 G HA2 -0.253 3.711 3.960 0.006 0.000 0.220 116 G HA3 -0.253 3.711 3.960 0.006 0.000 0.220 116 G C 0.854 175.602 174.900 -0.253 0.000 1.121 116 G CA 0.581 45.571 45.100 -0.184 0.000 0.758 116 G HN 0.481 nan 8.290 nan 0.000 0.559 117 H N -0.571 118.407 119.070 -0.153 0.000 2.519 117 H HA 0.385 4.945 4.556 0.007 0.000 0.289 117 H C 0.280 175.583 175.328 -0.042 0.000 1.040 117 H CA -0.424 55.610 56.048 -0.024 0.000 1.165 117 H CB 0.067 29.951 29.762 0.203 0.000 1.462 117 H HN 0.148 nan 8.280 nan 0.000 0.555 118 L N 1.657 122.865 121.223 -0.024 0.000 2.313 118 L HA 0.308 4.652 4.340 0.006 0.000 0.282 118 L C 0.276 177.059 176.870 -0.145 0.000 1.092 118 L CA 0.011 54.812 54.840 -0.066 0.000 0.831 118 L CB 0.649 42.669 42.059 -0.065 0.000 1.159 118 L HN 0.156 nan 8.230 nan 0.000 0.442 119 R N 5.052 125.388 120.500 -0.273 0.000 2.439 119 R HA 0.380 4.723 4.340 0.006 0.000 0.310 119 R C -2.455 173.676 176.300 -0.282 0.000 0.955 119 R CA -1.897 53.985 56.100 -0.363 0.000 0.853 119 R CB 2.095 32.003 30.300 -0.653 0.000 1.171 119 R HN 0.332 nan 8.270 nan 0.000 0.449 120 P HA -0.059 nan 4.420 nan 0.000 0.264 120 P C -0.804 176.533 177.300 0.062 0.000 1.183 120 P CA -0.060 63.033 63.100 -0.012 0.000 0.763 120 P CB 0.798 32.498 31.700 -0.002 0.000 0.807 121 L N 3.143 124.429 121.223 0.106 0.000 2.573 121 L HA 0.334 4.678 4.340 0.006 0.000 0.260 121 L C -0.361 176.547 176.870 0.063 0.000 0.997 121 L CA -0.304 54.579 54.840 0.073 0.000 0.890 121 L CB 1.111 43.184 42.059 0.023 0.000 1.179 121 L HN 0.167 nan 8.230 nan 0.000 0.439 122 E N 2.342 122.551 120.200 0.014 0.000 2.312 122 E HA 0.249 4.602 4.350 0.006 0.000 0.259 122 E C -0.831 175.723 176.600 -0.078 0.000 1.122 122 E CA -0.470 55.915 56.400 -0.025 0.000 0.922 122 E CB 0.463 30.193 29.700 0.049 0.000 1.109 122 E HN 0.407 nan 8.360 nan 0.000 0.442 123 Y N -0.080 120.251 120.300 0.052 0.000 2.717 123 Y HA 0.179 4.733 4.550 0.006 0.000 0.330 123 Y C 1.750 177.589 175.900 -0.102 0.000 1.217 123 Y CA 1.268 59.345 58.100 -0.038 0.000 1.506 123 Y CB 0.024 38.442 38.460 -0.070 0.000 1.268 123 Y HN 0.757 nan 8.280 nan 0.000 0.561 124 G N 1.908 110.661 108.800 -0.079 0.000 2.143 124 G HA2 -0.320 3.643 3.960 0.006 0.000 0.248 124 G HA3 -0.320 3.643 3.960 0.006 0.000 0.248 124 G C -0.159 174.630 174.900 -0.186 0.000 0.991 124 G CA 0.022 45.031 45.100 -0.151 0.000 0.689 124 G HN 0.625 nan 8.290 nan 0.000 0.522 125 E N -0.494 119.554 120.200 -0.254 0.000 2.109 125 E HA 0.495 4.849 4.350 0.006 0.000 0.278 125 E C -0.409 176.022 176.600 -0.282 0.000 0.954 125 E CA -0.981 55.326 56.400 -0.154 0.000 0.779 125 E CB 0.523 30.164 29.700 -0.098 0.000 1.093 125 E HN 0.329 nan 8.360 nan 0.000 0.401 126 W N 5.069 126.331 121.300 -0.063 0.000 2.331 126 W HA 0.315 4.977 4.660 0.004 0.000 0.306 126 W C -0.521 175.925 176.519 -0.121 0.000 1.162 126 W CA -0.691 56.600 57.345 -0.090 0.000 1.232 126 W CB 0.683 30.111 29.460 -0.054 0.000 1.235 126 W HN 0.354 nan 8.180 nan 0.000 0.479 127 L N 4.987 126.239 121.223 0.048 0.000 2.309 127 L HA 0.584 4.927 4.340 0.006 0.000 0.282 127 L C -0.388 176.468 176.870 -0.022 0.000 1.036 127 L CA -0.799 53.978 54.840 -0.104 0.000 0.806 127 L CB 0.743 42.568 42.059 -0.391 0.000 1.220 127 L HN 0.345 nan 8.230 nan 0.000 0.429 128 R N 6.468 126.944 120.500 -0.040 0.000 2.439 128 R HA 0.623 4.967 4.340 0.006 0.000 0.310 128 R C -1.608 174.670 176.300 -0.037 0.000 0.955 128 R CA -0.698 55.390 56.100 -0.020 0.000 0.853 128 R CB 1.446 31.742 30.300 -0.006 0.000 1.171 128 R HN 0.620 nan 8.270 nan 0.000 0.449 129 L N 2.480 123.684 121.223 -0.032 0.000 2.404 129 L HA 0.452 4.795 4.340 0.006 0.000 0.272 129 L C 0.924 177.787 176.870 -0.012 0.000 0.980 129 L CA -0.553 54.273 54.840 -0.023 0.000 0.836 129 L CB 1.774 43.815 42.059 -0.031 0.000 1.238 129 L HN 0.957 nan 8.230 nan 0.000 0.408 130 G N 3.098 111.893 108.800 -0.007 0.000 2.591 130 G HA2 -0.347 3.617 3.960 0.006 0.000 0.298 130 G HA3 -0.347 3.617 3.960 0.006 0.000 0.298 130 G C 0.605 175.498 174.900 -0.011 0.000 1.195 130 G CA 0.606 45.702 45.100 -0.007 0.000 0.989 130 G HN 0.901 nan 8.290 nan 0.000 0.551 131 A N -0.821 121.992 122.820 -0.011 0.000 2.348 131 A HA 0.667 4.990 4.320 0.006 0.000 0.224 131 A C 0.908 178.482 177.584 -0.017 0.000 1.227 131 A CA 1.170 53.196 52.037 -0.018 0.000 0.885 131 A CB 0.074 19.064 19.000 -0.017 0.000 0.933 131 A HN 1.603 nan 8.150 nan 0.000 0.506 132 L N 0.940 122.159 121.223 -0.007 0.000 2.380 132 L HA 0.492 4.836 4.340 0.006 0.000 0.273 132 L C -0.361 176.519 176.870 0.017 0.000 1.138 132 L CA 0.346 55.190 54.840 0.006 0.000 0.832 132 L CB 1.197 43.261 42.059 0.009 0.000 1.124 132 L HN 0.046 nan 8.230 nan 0.000 0.454 133 S N 5.897 121.627 115.700 0.051 0.000 2.478 133 S HA 0.713 5.186 4.470 0.006 0.000 0.312 133 S C -0.621 174.166 174.600 0.313 0.000 1.094 133 S CA -0.544 57.733 58.200 0.129 0.000 1.081 133 S CB 1.056 64.236 63.200 -0.034 0.000 1.007 133 S HN 0.543 nan 8.310 nan 0.000 0.475 134 L N 2.332 123.740 121.223 0.309 0.000 2.354 134 L HA 0.954 5.297 4.340 0.006 0.000 0.269 134 L C -0.249 176.526 176.870 -0.158 0.000 1.005 134 L CA -0.669 54.243 54.840 0.119 0.000 0.819 134 L CB 1.918 43.929 42.059 -0.081 0.000 1.311 134 L HN 0.765 nan 8.230 nan 0.000 0.423 135 A N 1.585 124.136 122.820 -0.449 0.000 2.589 135 A HA 0.744 5.068 4.320 0.006 0.000 0.296 135 A C -1.556 175.790 177.584 -0.396 0.000 1.062 135 A CA -0.451 51.088 52.037 -0.831 0.000 0.686 135 A CB 1.192 19.049 19.000 -1.904 0.000 1.282 135 A HN 0.343 nan 8.150 nan 0.000 0.404 136 F N 0.991 120.669 119.950 -0.454 0.000 2.384 136 F HA 0.641 5.172 4.527 0.006 0.000 0.338 136 F C 1.089 176.634 175.800 -0.426 0.000 1.103 136 F CA -0.435 57.319 58.000 -0.411 0.000 1.157 136 F CB 1.850 40.558 39.000 -0.486 0.000 1.167 136 F HN 0.740 nan 8.300 nan 0.000 0.529 137 G N 1.292 109.768 108.800 -0.539 0.000 2.498 137 G HA2 0.436 4.399 3.960 0.006 0.000 0.312 137 G HA3 0.436 4.399 3.960 0.006 0.000 0.312 137 G C -1.432 173.111 174.900 -0.595 0.000 1.230 137 G CA -0.688 43.814 45.100 -0.996 0.000 0.968 137 G HN 0.410 nan 8.290 nan 0.000 0.481 138 Q N 0.231 119.838 119.800 -0.321 0.000 2.281 138 Q HA 0.510 4.853 4.340 0.006 0.000 0.267 138 Q C 0.710 176.712 176.000 0.004 0.000 1.053 138 Q CA 0.627 56.285 55.803 -0.241 0.000 0.905 138 Q CB 1.129 29.688 28.738 -0.298 0.000 1.195 138 Q HN 0.581 nan 8.270 nan 0.000 0.398 139 A N 3.490 126.307 122.820 -0.005 0.000 2.167 139 A HA 0.413 4.736 4.320 0.006 0.000 0.208 139 A C 1.229 178.769 177.584 -0.073 0.000 1.198 139 A CA 0.402 52.453 52.037 0.023 0.000 0.863 139 A CB -0.380 18.601 19.000 -0.031 0.000 0.904 139 A HN 1.262 nan 8.150 nan 0.000 0.484 140 G N -0.354 108.391 108.800 -0.091 0.000 2.366 140 G HA2 -0.334 3.630 3.960 0.006 0.000 0.299 140 G HA3 -0.334 3.630 3.960 0.006 0.000 0.299 140 G C 0.390 175.240 174.900 -0.083 0.000 1.020 140 G CA 1.246 46.286 45.100 -0.100 0.000 1.026 140 G HN 0.949 nan 8.290 nan 0.000 0.512 141 H N -1.021 117.900 119.070 -0.248 0.000 2.788 141 H HA 0.643 5.203 4.556 0.006 0.000 0.262 141 H C 0.935 176.092 175.328 -0.285 0.000 0.968 141 H CA 0.748 56.629 56.048 -0.279 0.000 1.218 141 H CB 0.416 29.934 29.762 -0.407 0.000 1.443 141 H HN 0.392 nan 8.280 nan 0.000 0.478 142 L N 0.196 121.191 121.223 -0.381 0.000 2.568 142 L HA 0.392 4.735 4.340 0.006 0.000 0.257 142 L C -2.611 174.045 176.870 -0.356 0.000 1.024 142 L CA -2.392 52.192 54.840 -0.427 0.000 0.854 142 L CB 2.704 44.427 42.059 -0.560 0.000 1.460 142 L HN -0.032 nan 8.230 nan 0.000 0.409 143 P HA 0.143 nan 4.420 nan 0.000 0.267 143 P C 0.459 177.419 177.300 -0.567 0.000 1.209 143 P CA 0.754 63.516 63.100 -0.563 0.000 0.763 143 P CB 0.563 31.817 31.700 -0.743 0.000 0.816 144 G N 2.199 110.702 108.800 -0.496 0.000 2.143 144 G HA2 -0.239 3.725 3.960 0.006 0.000 0.248 144 G HA3 -0.239 3.725 3.960 0.006 0.000 0.248 144 G C 0.332 175.051 174.900 -0.302 0.000 0.991 144 G CA 0.264 45.068 45.100 -0.494 0.000 0.689 144 G HN 0.751 nan 8.290 nan 0.000 0.522 145 S N -0.534 115.035 115.700 -0.217 0.000 2.580 145 S HA 0.884 5.358 4.470 0.006 0.000 0.274 145 S C 0.284 174.768 174.600 -0.194 0.000 1.329 145 S CA 0.772 58.834 58.200 -0.229 0.000 1.036 145 S CB 2.304 65.359 63.200 -0.241 0.000 0.919 145 S HN 2.050 nan 8.310 nan 0.000 0.515 146 A N 1.627 124.241 122.820 -0.344 0.000 2.602 146 A HA 0.781 5.104 4.320 0.006 0.000 0.290 146 A C -0.872 176.555 177.584 -0.262 0.000 1.114 146 A CA -1.140 50.679 52.037 -0.364 0.000 0.683 146 A CB 0.827 19.352 19.000 -0.792 0.000 1.281 146 A HN 1.359 nan 8.150 nan 0.000 0.416 147 F N -0.252 119.633 119.950 -0.108 0.000 2.507 147 F HA 0.822 5.352 4.527 0.005 0.000 0.327 147 F C -0.563 175.277 175.800 0.068 0.000 1.068 147 F CA -1.234 56.717 58.000 -0.081 0.000 0.965 147 F CB 1.396 40.441 39.000 0.075 0.000 1.192 147 F HN 0.300 nan 8.300 nan 0.000 0.476 148 V N 2.951 123.105 119.914 0.400 0.000 2.539 148 V HA 0.435 4.559 4.120 0.006 0.000 0.292 148 V C -0.297 176.052 176.094 0.426 0.000 1.045 148 V CA -0.871 61.665 62.300 0.393 0.000 0.945 148 V CB 1.385 33.428 31.823 0.367 0.000 0.993 148 V HN 0.727 nan 8.190 nan 0.000 0.464 149 V N 3.916 124.002 119.914 0.285 0.000 2.326 149 V HA 0.681 4.805 4.120 0.006 0.000 0.281 149 V C 0.340 176.564 176.094 0.217 0.000 1.015 149 V CA -0.434 62.029 62.300 0.272 0.000 0.823 149 V CB 1.363 33.344 31.823 0.264 0.000 1.009 149 V HN 0.999 nan 8.190 nan 0.000 0.436 150 A N 4.866 127.810 122.820 0.206 0.000 2.271 150 A HA 0.791 5.114 4.320 0.006 0.000 0.317 150 A C -0.428 177.251 177.584 0.158 0.000 1.245 150 A CA -0.470 51.667 52.037 0.168 0.000 0.857 150 A CB 1.233 20.310 19.000 0.128 0.000 1.175 150 A HN 0.614 nan 8.150 nan 0.000 0.512 151 Q N 1.696 121.593 119.800 0.162 0.000 2.323 151 Q HA 0.667 5.010 4.340 0.006 0.000 0.271 151 Q C -0.650 175.379 176.000 0.049 0.000 1.048 151 Q CA -0.037 55.827 55.803 0.102 0.000 0.792 151 Q CB 2.071 30.875 28.738 0.110 0.000 1.280 151 Q HN 1.472 nan 8.270 nan 0.000 0.441 152 G N 1.734 110.548 108.800 0.023 0.000 2.355 152 G HA2 0.274 4.237 3.960 0.006 0.000 0.296 152 G HA3 0.274 4.237 3.960 0.006 0.000 0.296 152 G C -1.185 173.715 174.900 -0.000 0.000 1.507 152 G CA -0.332 44.770 45.100 0.003 0.000 0.823 152 G HN 0.617 nan 8.290 nan 0.000 0.569 153 E N -1.079 119.116 120.200 -0.008 0.000 2.476 153 E HA -0.250 4.103 4.350 0.006 0.000 0.251 153 E C 1.495 178.090 176.600 -0.009 0.000 1.130 153 E CA 1.359 57.755 56.400 -0.008 0.000 0.736 153 E CB -1.347 28.350 29.700 -0.005 0.000 1.298 153 E HN 2.525 nan 8.360 nan 0.000 0.400 154 G N -0.205 108.587 108.800 -0.013 0.000 2.205 154 G HA2 -0.393 3.570 3.960 0.006 0.000 0.269 154 G HA3 -0.393 3.570 3.960 0.006 0.000 0.269 154 G C 0.368 175.264 174.900 -0.007 0.000 0.977 154 G CA 1.153 46.245 45.100 -0.013 0.000 0.652 154 G HN 0.253 nan 8.290 nan 0.000 0.539 155 R N -0.492 120.007 120.500 -0.001 0.000 2.856 155 R HA 0.717 5.060 4.340 0.006 0.000 0.258 155 R C -0.738 175.573 176.300 0.018 0.000 1.066 155 R CA -0.261 55.842 56.100 0.005 0.000 1.045 155 R CB 1.341 31.644 30.300 0.004 0.000 1.178 155 R HN 0.136 nan 8.270 nan 0.000 0.499 156 T N 1.869 116.436 114.554 0.023 0.000 2.937 156 T HA 0.388 4.741 4.350 0.006 0.000 0.297 156 T C -0.946 173.781 174.700 0.045 0.000 0.991 156 T CA -0.601 61.525 62.100 0.044 0.000 0.990 156 T CB 1.244 70.136 68.868 0.042 0.000 0.991 156 T HN 0.356 nan 8.240 nan 0.000 0.440 157 L N 4.054 125.319 121.223 0.071 0.000 2.346 157 L HA 0.904 5.248 4.340 0.006 0.000 0.276 157 L C -1.392 175.553 176.870 0.125 0.000 1.006 157 L CA -0.589 54.297 54.840 0.077 0.000 0.817 157 L CB 1.613 43.716 42.059 0.072 0.000 1.272 157 L HN 0.450 nan 8.230 nan 0.000 0.421 158 V N 5.141 125.126 119.914 0.119 0.000 2.487 158 V HA 0.331 4.454 4.120 0.006 0.000 0.298 158 V C -1.211 175.045 176.094 0.271 0.000 1.028 158 V CA -0.440 61.963 62.300 0.172 0.000 0.860 158 V CB 1.510 33.343 31.823 0.017 0.000 0.991 158 V HN 0.730 nan 8.190 nan 0.000 0.427 159 Y N 4.225 124.655 120.300 0.217 0.000 2.402 159 Y HA 0.305 4.859 4.550 0.007 0.000 0.332 159 Y C 1.525 177.606 175.900 0.303 0.000 0.960 159 Y CA -0.288 57.944 58.100 0.221 0.000 1.228 159 Y CB 1.848 40.438 38.460 0.217 0.000 1.120 159 Y HN 0.780 nan 8.280 nan 0.000 0.491 160 S N 3.953 119.784 115.700 0.218 0.000 2.465 160 S HA 0.036 4.509 4.470 0.006 0.000 0.241 160 S C 1.406 175.805 174.600 -0.336 0.000 1.000 160 S CA 0.879 59.068 58.200 -0.018 0.000 0.964 160 S CB -0.806 62.336 63.200 -0.096 0.000 0.763 160 S HN 1.380 nan 8.310 nan 0.000 0.512 161 G N 1.644 109.983 108.800 -0.768 0.000 2.611 161 G HA2 -0.270 3.694 3.960 0.006 0.000 0.301 161 G HA3 -0.270 3.694 3.960 0.006 0.000 0.301 161 G C -0.777 174.002 174.900 -0.202 0.000 1.233 161 G CA 0.559 45.361 45.100 -0.497 0.000 0.993 161 G HN 0.573 nan 8.290 nan 0.000 0.553 162 D N 0.201 120.397 120.400 -0.339 0.000 2.256 162 D HA 0.660 5.303 4.640 0.006 0.000 0.246 162 D C -0.210 175.702 176.300 -0.645 0.000 1.042 162 D CA -0.443 53.165 54.000 -0.653 0.000 0.841 162 D CB 1.629 41.701 40.800 -1.212 0.000 1.223 162 D HN 0.280 nan 8.370 nan 0.000 0.470 163 L N 1.394 122.266 121.223 -0.586 0.000 2.334 163 L HA 0.596 4.939 4.340 0.006 0.000 0.275 163 L C 1.119 177.816 176.870 -0.288 0.000 1.036 163 L CA -0.515 54.036 54.840 -0.482 0.000 0.807 163 L CB 1.560 43.230 42.059 -0.647 0.000 1.231 163 L HN 0.398 nan 8.230 nan 0.000 0.438 164 G N 0.793 109.490 108.800 -0.171 0.000 2.528 164 G HA2 0.159 4.122 3.960 0.006 0.000 0.289 164 G HA3 0.159 4.122 3.960 0.006 0.000 0.289 164 G C -0.227 174.631 174.900 -0.070 0.000 1.192 164 G CA -0.579 44.488 45.100 -0.056 0.000 0.921 164 G HN 0.733 nan 8.290 nan 0.000 0.512 165 N N -0.265 118.407 118.700 -0.047 0.000 2.602 165 N HA 0.065 4.809 4.740 0.006 0.000 0.238 165 N C 1.845 177.313 175.510 -0.069 0.000 1.084 165 N CA -0.535 52.490 53.050 -0.042 0.000 0.952 165 N CB 0.279 38.722 38.487 -0.074 0.000 1.244 165 N HN 0.596 nan 8.380 nan 0.000 0.512 166 R N 2.266 122.741 120.500 -0.042 0.000 2.261 166 R HA -0.179 4.164 4.340 0.006 0.000 0.236 166 R C 0.801 177.076 176.300 -0.040 0.000 1.141 166 R CA 1.196 57.275 56.100 -0.035 0.000 1.001 166 R CB -0.204 30.096 30.300 -0.000 0.000 0.866 166 R HN 0.606 nan 8.270 nan 0.000 0.468 167 E N 1.175 121.351 120.200 -0.040 0.000 2.153 167 E HA -0.077 4.277 4.350 0.006 0.000 0.194 167 E C 0.243 176.758 176.600 -0.143 0.000 0.988 167 E CA 0.906 57.300 56.400 -0.011 0.000 0.811 167 E CB 0.146 29.885 29.700 0.064 0.000 0.746 167 E HN 0.416 nan 8.360 nan 0.000 0.466 168 K N 0.449 120.588 120.400 -0.435 0.000 2.202 168 K HA -0.001 4.322 4.320 0.006 0.000 0.238 168 K C 0.455 176.879 176.600 -0.293 0.000 1.070 168 K CA 0.137 55.914 56.287 -0.850 0.000 0.859 168 K CB 0.385 32.437 32.500 -0.747 0.000 1.140 168 K HN -0.101 nan 8.250 nan 0.000 0.515 169 D N -0.616 119.686 120.400 -0.162 0.000 2.454 169 D HA 0.005 4.648 4.640 0.006 0.000 0.219 169 D C 1.664 177.873 176.300 -0.150 0.000 1.081 169 D CA 0.348 54.336 54.000 -0.020 0.000 0.867 169 D CB 0.264 41.185 40.800 0.202 0.000 1.054 169 D HN 0.111 nan 8.370 nan 0.000 0.500 170 V N 1.144 120.936 119.914 -0.203 0.000 2.307 170 V HA -0.105 4.019 4.120 0.006 0.000 0.245 170 V C 0.951 177.072 176.094 0.045 0.000 1.045 170 V CA 1.036 63.220 62.300 -0.192 0.000 1.024 170 V CB -0.116 31.677 31.823 -0.049 0.000 0.651 170 V HN 0.090 nan 8.190 nan 0.000 0.449 171 L N 0.776 122.009 121.223 0.018 0.000 2.399 171 L HA 0.450 4.793 4.340 0.006 0.000 0.265 171 L C -2.031 174.820 176.870 -0.031 0.000 1.089 171 L CA -2.525 52.320 54.840 0.009 0.000 0.802 171 L CB 0.117 42.141 42.059 -0.058 0.000 1.180 171 L HN 0.080 nan 8.230 nan 0.000 0.454 172 P HA 0.112 nan 4.420 nan 0.000 0.276 172 P C -0.880 176.384 177.300 -0.061 0.000 1.261 172 P CA -0.655 62.409 63.100 -0.060 0.000 0.800 172 P CB 0.663 32.306 31.700 -0.096 0.000 1.066 173 D N 1.249 121.626 120.400 -0.040 0.000 2.472 173 D HA 0.113 4.757 4.640 0.006 0.000 0.237 173 D C -1.941 174.353 176.300 -0.009 0.000 1.141 173 D CA -0.366 53.624 54.000 -0.017 0.000 0.875 173 D CB -0.490 40.315 40.800 0.008 0.000 1.192 173 D HN 0.220 nan 8.370 nan 0.000 0.450 174 P HA 0.064 nan 4.420 nan 0.000 0.274 174 P C -0.382 177.022 177.300 0.173 0.000 1.237 174 P CA -0.328 62.803 63.100 0.051 0.000 0.793 174 P CB 0.721 32.401 31.700 -0.033 0.000 0.977 175 S N 1.108 117.002 115.700 0.324 0.000 2.646 175 S HA 0.400 4.874 4.470 0.006 0.000 0.276 175 S C -0.184 174.741 174.600 0.541 0.000 1.222 175 S CA -0.718 57.707 58.200 0.375 0.000 1.014 175 S CB -0.094 63.317 63.200 0.351 0.000 0.991 175 S HN 0.240 nan 8.310 nan 0.000 0.533 176 L N 4.627 126.014 121.223 0.273 0.000 2.439 176 L HA 0.374 4.718 4.340 0.006 0.000 0.269 176 L C -1.622 175.178 176.870 -0.116 0.000 1.179 176 L CA -1.657 53.185 54.840 0.004 0.000 0.828 176 L CB 0.721 42.746 42.059 -0.057 0.000 1.106 176 L HN 0.601 nan 8.230 nan 0.000 0.467 177 P HA 0.276 nan 4.420 nan 0.000 0.276 177 P C -2.697 174.416 177.300 -0.312 0.000 1.252 177 P CA -1.458 61.221 63.100 -0.703 0.000 0.802 177 P CB 0.330 31.192 31.700 -1.398 0.000 1.035 178 P HA 0.202 nan 4.420 nan 0.000 0.278 178 P C -0.335 176.902 177.300 -0.104 0.000 1.258 178 P CA -0.566 62.512 63.100 -0.037 0.000 0.811 178 P CB 0.538 32.288 31.700 0.084 0.000 1.063 179 L N 1.265 122.445 121.223 -0.072 0.000 2.513 179 L HA 0.365 4.708 4.340 0.006 0.000 0.272 179 L C 0.035 176.874 176.870 -0.052 0.000 1.187 179 L CA 0.556 55.348 54.840 -0.079 0.000 0.895 179 L CB -0.782 41.246 42.059 -0.052 0.000 1.147 179 L HN 0.584 nan 8.230 nan 0.000 0.483 180 A N 3.813 126.593 122.820 -0.066 0.000 2.479 180 A HA 0.499 4.823 4.320 0.006 0.000 0.296 180 A C 0.409 177.974 177.584 -0.031 0.000 1.121 180 A CA -0.543 51.474 52.037 -0.034 0.000 0.743 180 A CB 0.787 19.770 19.000 -0.029 0.000 1.323 180 A HN 0.731 nan 8.150 nan 0.000 0.415 181 D N -0.699 119.693 120.400 -0.013 0.000 2.234 181 D HA 0.081 4.724 4.640 0.006 0.000 0.205 181 D C -0.130 176.160 176.300 -0.016 0.000 0.962 181 D CA 1.436 55.428 54.000 -0.014 0.000 0.855 181 D CB 0.236 41.031 40.800 -0.007 0.000 0.951 181 D HN 0.257 nan 8.370 nan 0.000 0.500 182 L N 0.116 121.333 121.223 -0.011 0.000 2.505 182 L HA 0.331 4.674 4.340 0.006 0.000 0.259 182 L C -1.714 175.156 176.870 0.000 0.000 0.952 182 L CA -0.702 54.132 54.840 -0.010 0.000 0.840 182 L CB 2.580 44.634 42.059 -0.009 0.000 1.358 182 L HN -0.351 nan 8.230 nan 0.000 0.409 183 V N 5.055 124.970 119.914 0.001 0.000 2.443 183 V HA 0.455 4.579 4.120 0.006 0.000 0.293 183 V C -0.760 175.375 176.094 0.067 0.000 1.021 183 V CA -0.492 61.827 62.300 0.032 0.000 0.848 183 V CB 1.626 33.439 31.823 -0.018 0.000 0.998 183 V HN 0.641 nan 8.190 nan 0.000 0.424 184 L N 5.683 126.978 121.223 0.120 0.000 2.288 184 L HA 0.836 5.179 4.340 0.006 0.000 0.283 184 L C 0.313 177.326 176.870 0.239 0.000 1.072 184 L CA 0.229 55.127 54.840 0.096 0.000 0.862 184 L CB 0.389 42.449 42.059 0.002 0.000 1.245 184 L HN 0.759 nan 8.230 nan 0.000 0.432 185 A N 3.824 126.754 122.820 0.184 0.000 2.322 185 A HA 0.764 5.087 4.320 0.006 0.000 0.327 185 A C -0.507 177.163 177.584 0.144 0.000 1.134 185 A CA -0.666 51.494 52.037 0.205 0.000 0.831 185 A CB 0.881 20.026 19.000 0.241 0.000 1.288 185 A HN 0.741 nan 8.150 nan 0.000 0.472 186 E N -0.231 120.020 120.200 0.085 0.000 2.314 186 E HA 0.583 4.936 4.350 0.006 0.000 0.262 186 E C 0.282 176.903 176.600 0.035 0.000 1.093 186 E CA -0.174 56.263 56.400 0.061 0.000 0.908 186 E CB 1.053 30.684 29.700 -0.115 0.000 1.091 186 E HN 0.748 nan 8.360 nan 0.000 0.425 187 G N 0.788 109.629 108.800 0.069 0.000 5.077 187 G HA2 0.062 4.026 3.960 0.006 0.000 0.230 187 G HA3 0.062 4.026 3.960 0.006 0.000 0.230 187 G C 0.429 175.364 174.900 0.059 0.000 0.924 187 G CA -0.055 45.078 45.100 0.056 0.000 0.770 187 G HN 0.481 nan 8.290 nan 0.000 0.512 188 T N 0.098 114.703 114.554 0.086 0.000 2.685 188 T HA -0.224 4.130 4.350 0.006 0.000 0.268 188 T C 0.968 175.582 174.700 -0.143 0.000 1.034 188 T CA 1.347 63.474 62.100 0.044 0.000 1.149 188 T CB -0.176 68.782 68.868 0.151 0.000 0.860 188 T HN 0.347 nan 8.240 nan 0.000 0.449 189 Y N 0.835 121.124 120.300 -0.018 0.000 2.685 189 Y HA 0.525 5.078 4.550 0.006 0.000 0.339 189 Y C 1.683 177.552 175.900 -0.051 0.000 0.961 189 Y CA -1.205 56.868 58.100 -0.044 0.000 1.330 189 Y CB 0.075 38.462 38.460 -0.121 0.000 1.269 189 Y HN 0.176 nan 8.280 nan 0.000 0.566 190 G N -0.029 108.797 108.800 0.043 0.000 2.509 190 G HA2 -0.235 3.728 3.960 0.006 0.000 0.218 190 G HA3 -0.235 3.728 3.960 0.006 0.000 0.218 190 G C 1.365 176.282 174.900 0.028 0.000 1.124 190 G CA 1.201 46.323 45.100 0.035 0.000 0.776 190 G HN 0.505 nan 8.290 nan 0.000 0.547 191 D N 0.327 120.740 120.400 0.021 0.000 2.240 191 D HA 0.014 4.658 4.640 0.006 0.000 0.206 191 D C 1.297 177.620 176.300 0.038 0.000 0.963 191 D CA 0.237 54.252 54.000 0.023 0.000 0.863 191 D CB 0.006 40.815 40.800 0.014 0.000 0.973 191 D HN 0.552 nan 8.370 nan 0.000 0.501 192 R N -0.692 119.843 120.500 0.058 0.000 2.799 192 R HA 0.632 4.975 4.340 0.006 0.000 0.270 192 R C -3.118 173.177 176.300 -0.008 0.000 1.010 192 R CA -1.678 54.453 56.100 0.052 0.000 0.916 192 R CB 1.547 31.902 30.300 0.092 0.000 1.228 192 R HN -0.164 nan 8.270 nan 0.000 0.469 193 P HA 0.285 nan 4.420 nan 0.000 0.284 193 P C -0.962 176.272 177.300 -0.110 0.000 1.287 193 P CA -0.442 62.595 63.100 -0.104 0.000 0.824 193 P CB 0.995 32.685 31.700 -0.016 0.000 1.180 194 H N -0.190 118.884 119.070 0.007 0.000 2.517 194 H HA 0.377 4.937 4.556 0.006 0.000 0.346 194 H C 0.437 175.775 175.328 0.018 0.000 1.222 194 H CA -0.368 55.676 56.048 -0.008 0.000 1.314 194 H CB 0.790 30.513 29.762 -0.065 0.000 1.609 194 H HN 0.301 nan 8.280 nan 0.000 0.571 195 R N 1.278 121.881 120.500 0.171 0.000 2.590 195 R HA 0.152 4.496 4.340 0.006 0.000 0.274 195 R C -2.220 174.129 176.300 0.082 0.000 1.061 195 R CA -1.025 55.129 56.100 0.089 0.000 1.081 195 R CB -0.097 30.232 30.300 0.048 0.000 0.984 195 R HN 0.393 nan 8.270 nan 0.000 0.448 196 P HA -0.108 nan 4.420 nan 0.000 0.269 196 P C -0.353 176.994 177.300 0.080 0.000 1.211 196 P CA 0.350 63.496 63.100 0.076 0.000 0.781 196 P CB 0.292 32.022 31.700 0.050 0.000 0.877 197 Y N 1.658 121.943 120.300 -0.025 0.000 2.206 197 Y HA -0.199 4.354 4.550 0.006 0.000 0.292 197 Y C 2.297 178.166 175.900 -0.052 0.000 1.123 197 Y CA 0.973 59.043 58.100 -0.050 0.000 1.142 197 Y CB 0.055 38.519 38.460 0.007 0.000 1.006 197 Y HN 0.141 nan 8.280 nan 0.000 0.518 198 R N 0.968 121.389 120.500 -0.132 0.000 2.113 198 R HA -0.257 4.086 4.340 0.006 0.000 0.244 198 R C 2.004 178.186 176.300 -0.197 0.000 1.142 198 R CA 2.174 58.169 56.100 -0.175 0.000 0.953 198 R CB -1.255 29.022 30.300 -0.039 0.000 0.860 198 R HN 0.713 nan 8.270 nan 0.000 0.438 199 E N -0.376 119.746 120.200 -0.131 0.000 2.274 199 E HA -0.065 4.289 4.350 0.006 0.000 0.194 199 E C 1.177 177.678 176.600 -0.164 0.000 0.996 199 E CA 1.266 57.599 56.400 -0.113 0.000 0.840 199 E CB -0.150 29.517 29.700 -0.055 0.000 0.772 199 E HN 0.089 nan 8.360 nan 0.000 0.491 200 T N 0.461 114.857 114.554 -0.264 0.000 2.942 200 T HA -0.022 4.331 4.350 0.006 0.000 0.265 200 T C 1.877 176.319 174.700 -0.430 0.000 1.062 200 T CA 0.972 62.854 62.100 -0.364 0.000 1.139 200 T CB 0.076 68.635 68.868 -0.516 0.000 0.883 200 T HN 0.063 nan 8.240 nan 0.000 0.468 201 V N 1.647 121.271 119.914 -0.483 0.000 2.307 201 V HA -0.145 3.978 4.120 0.006 0.000 0.245 201 V C 2.586 178.599 176.094 -0.135 0.000 1.045 201 V CA 1.524 63.641 62.300 -0.304 0.000 1.024 201 V CB -0.573 31.017 31.823 -0.388 0.000 0.651 201 V HN 0.351 nan 8.190 nan 0.000 0.449 202 R N -0.053 120.348 120.500 -0.166 0.000 2.083 202 R HA -0.244 4.099 4.340 0.006 0.000 0.237 202 R C 2.442 178.697 176.300 -0.075 0.000 1.137 202 R CA 2.061 58.092 56.100 -0.115 0.000 0.951 202 R CB -0.383 29.863 30.300 -0.089 0.000 0.851 202 R HN 0.677 nan 8.270 nan 0.000 0.434 203 E N 0.240 120.405 120.200 -0.059 0.000 2.051 203 E HA -0.225 4.128 4.350 0.006 0.000 0.192 203 E C 1.772 178.378 176.600 0.009 0.000 0.991 203 E CA 1.145 57.532 56.400 -0.021 0.000 0.799 203 E CB -0.179 29.517 29.700 -0.007 0.000 0.748 203 E HN 0.296 nan 8.360 nan 0.000 0.449 204 F N 1.252 121.121 119.950 -0.135 0.000 2.065 204 F HA -0.282 4.249 4.527 0.006 0.000 0.298 204 F C 2.037 177.780 175.800 -0.095 0.000 1.112 204 F CA 1.610 59.564 58.000 -0.077 0.000 1.212 204 F CB -0.113 38.901 39.000 0.024 0.000 0.975 204 F HN 0.027 nan 8.300 nan 0.000 0.476 205 L N 0.098 121.237 121.223 -0.141 0.000 2.042 205 L HA -0.261 4.083 4.340 0.006 0.000 0.210 205 L C 2.351 179.079 176.870 -0.236 0.000 1.076 205 L CA 1.840 56.523 54.840 -0.262 0.000 0.749 205 L CB -0.970 40.963 42.059 -0.210 0.000 0.893 205 L HN 0.258 nan 8.230 nan 0.000 0.432 206 E N 0.518 120.623 120.200 -0.158 0.000 2.033 206 E HA -0.262 4.092 4.350 0.006 0.000 0.199 206 E C 2.209 178.712 176.600 -0.162 0.000 1.011 206 E CA 1.633 57.958 56.400 -0.125 0.000 0.815 206 E CB -0.259 29.397 29.700 -0.073 0.000 0.755 206 E HN 0.464 nan 8.360 nan 0.000 0.451 207 I N 0.966 121.409 120.570 -0.211 0.000 2.335 207 I HA -0.291 3.882 4.170 0.006 0.000 0.251 207 I C 2.292 178.234 176.117 -0.292 0.000 1.129 207 I CA 0.900 62.029 61.300 -0.284 0.000 1.402 207 I CB -0.214 37.509 38.000 -0.461 0.000 1.069 207 I HN 0.131 nan 8.210 nan 0.000 0.424 208 L N 0.124 121.131 121.223 -0.361 0.000 2.044 208 L HA -0.158 4.185 4.340 0.006 0.000 0.205 208 L C 2.562 179.303 176.870 -0.215 0.000 1.075 208 L CA 1.386 56.021 54.840 -0.342 0.000 0.747 208 L CB -0.489 41.288 42.059 -0.470 0.000 0.903 208 L HN 0.210 nan 8.230 nan 0.000 0.435 209 E N 0.168 120.257 120.200 -0.185 0.000 2.077 209 E HA -0.298 4.055 4.350 0.006 0.000 0.193 209 E C 2.073 178.613 176.600 -0.100 0.000 0.989 209 E CA 1.384 57.707 56.400 -0.129 0.000 0.800 209 E CB -0.051 29.583 29.700 -0.111 0.000 0.746 209 E HN 0.332 nan 8.360 nan 0.000 0.452 210 K N 0.629 120.970 120.400 -0.098 0.000 2.057 210 K HA -0.107 4.216 4.320 0.006 0.000 0.206 210 K C 2.108 178.670 176.600 -0.064 0.000 1.050 210 K CA 1.709 57.955 56.287 -0.068 0.000 0.935 210 K CB 0.003 32.472 32.500 -0.052 0.000 0.715 210 K HN -0.042 nan 8.250 nan 0.000 0.439 211 T N 1.671 116.173 114.554 -0.086 0.000 2.737 211 T HA -0.049 4.304 4.350 0.006 0.000 0.265 211 T C 1.778 176.439 174.700 -0.064 0.000 1.038 211 T CA 1.311 63.369 62.100 -0.070 0.000 1.144 211 T CB -0.123 68.691 68.868 -0.090 0.000 0.866 211 T HN 0.131 nan 8.240 nan 0.000 0.434 212 L N 0.807 121.981 121.223 -0.082 0.000 2.027 212 L HA -0.083 4.260 4.340 0.006 0.000 0.206 212 L C 2.900 179.738 176.870 -0.054 0.000 1.074 212 L CA 1.004 55.801 54.840 -0.070 0.000 0.745 212 L CB -0.744 41.262 42.059 -0.089 0.000 0.898 212 L HN 0.219 nan 8.230 nan 0.000 0.433 213 S N -0.006 115.661 115.700 -0.056 0.000 2.370 213 S HA -0.254 4.219 4.470 0.006 0.000 0.226 213 S C 1.743 176.324 174.600 -0.032 0.000 1.033 213 S CA 1.735 59.909 58.200 -0.043 0.000 1.011 213 S CB -0.362 62.812 63.200 -0.043 0.000 0.852 213 S HN 0.594 nan 8.310 nan 0.000 0.457 214 Q N 0.643 120.425 119.800 -0.030 0.000 2.415 214 Q HA 0.293 4.636 4.340 0.006 0.000 0.206 214 Q C 0.947 176.936 176.000 -0.017 0.000 0.946 214 Q CA 0.524 56.315 55.803 -0.020 0.000 0.951 214 Q CB -0.377 28.351 28.738 -0.016 0.000 1.026 214 Q HN 0.411 nan 8.270 nan 0.000 0.510 215 G N 0.103 108.889 108.800 -0.022 0.000 2.176 215 G HA2 -0.264 3.700 3.960 0.006 0.000 0.252 215 G HA3 -0.264 3.700 3.960 0.006 0.000 0.252 215 G C 0.323 175.215 174.900 -0.013 0.000 1.024 215 G CA -0.056 45.034 45.100 -0.017 0.000 0.755 215 G HN 0.712 nan 8.290 nan 0.000 0.507 216 G N -0.894 107.895 108.800 -0.018 0.000 2.531 216 G HA2 0.650 4.613 3.960 0.006 0.000 0.253 216 G HA3 0.650 4.613 3.960 0.006 0.000 0.253 216 G C -0.101 174.789 174.900 -0.017 0.000 1.439 216 G CA -0.531 44.560 45.100 -0.014 0.000 1.056 216 G HN 0.444 nan 8.290 nan 0.000 0.555 217 K N -0.824 119.565 120.400 -0.018 0.000 2.443 217 K HA 0.495 4.818 4.320 0.006 0.000 0.252 217 K C -1.454 175.124 176.600 -0.037 0.000 0.933 217 K CA -0.617 55.656 56.287 -0.023 0.000 0.792 217 K CB 2.873 35.363 32.500 -0.018 0.000 1.185 217 K HN 0.154 nan 8.250 nan 0.000 0.425 218 V N 4.460 124.345 119.914 -0.049 0.000 2.333 218 V HA 0.219 4.342 4.120 0.006 0.000 0.274 218 V C -0.765 175.302 176.094 -0.045 0.000 1.028 218 V CA -0.811 61.453 62.300 -0.059 0.000 0.851 218 V CB 0.774 32.543 31.823 -0.090 0.000 1.000 218 V HN 0.494 nan 8.190 nan 0.000 0.456 219 L N 7.050 128.243 121.223 -0.050 0.000 2.257 219 L HA 0.526 4.869 4.340 0.006 0.000 0.290 219 L C -0.058 176.772 176.870 -0.068 0.000 1.044 219 L CA 0.025 54.828 54.840 -0.060 0.000 0.810 219 L CB 1.018 43.041 42.059 -0.059 0.000 1.193 219 L HN 0.466 nan 8.230 nan 0.000 0.425 220 I N 6.191 126.741 120.570 -0.033 0.000 2.428 220 I HA 0.280 4.454 4.170 0.006 0.000 0.279 220 I C -2.159 173.932 176.117 -0.042 0.000 1.040 220 I CA -1.723 59.560 61.300 -0.027 0.000 1.171 220 I CB 1.550 39.578 38.000 0.047 0.000 1.312 220 I HN 0.359 nan 8.210 nan 0.000 0.470 221 P HA 0.149 nan 4.420 nan 0.000 0.271 221 P C -0.434 176.813 177.300 -0.087 0.000 1.220 221 P CA 0.228 63.295 63.100 -0.055 0.000 0.768 221 P CB 1.080 32.751 31.700 -0.050 0.000 0.848 222 T N -0.093 114.408 114.554 -0.089 0.000 2.868 222 T HA 0.548 4.902 4.350 0.006 0.000 0.306 222 T C -0.322 174.329 174.700 -0.081 0.000 1.224 222 T CA -0.745 61.266 62.100 -0.147 0.000 1.012 222 T CB 0.677 69.512 68.868 -0.056 0.000 1.221 222 T HN 0.085 nan 8.240 nan 0.000 0.499 223 F N 0.755 120.741 119.950 0.061 0.000 2.418 223 F HA 0.500 5.031 4.527 0.006 0.000 0.341 223 F C 1.844 177.666 175.800 0.037 0.000 1.120 223 F CA -0.884 57.153 58.000 0.062 0.000 1.232 223 F CB 0.897 39.940 39.000 0.071 0.000 1.175 223 F HN 0.866 nan 8.300 nan 0.000 0.569 224 A N 2.471 125.441 122.820 0.249 0.000 2.167 224 A HA 0.098 4.421 4.320 0.006 0.000 0.214 224 A C 1.246 178.870 177.584 0.066 0.000 1.151 224 A CA 0.616 52.721 52.037 0.114 0.000 0.735 224 A CB -0.501 18.549 19.000 0.084 0.000 0.802 224 A HN 0.516 nan 8.150 nan 0.000 0.467 225 V N -0.942 119.046 119.914 0.123 0.000 3.541 225 V HA 0.010 4.133 4.120 0.006 0.000 0.147 225 V C 2.238 178.364 176.094 0.052 0.000 1.193 225 V CA 0.472 62.812 62.300 0.065 0.000 1.426 225 V CB -0.629 31.248 31.823 0.089 0.000 1.157 225 V HN 0.388 nan 8.190 nan 0.000 0.420 226 E N 0.092 120.338 120.200 0.077 0.000 2.058 226 E HA -0.232 4.121 4.350 0.006 0.000 0.194 226 E C 2.267 178.907 176.600 0.067 0.000 0.997 226 E CA 1.510 57.961 56.400 0.085 0.000 0.801 226 E CB -0.334 29.365 29.700 -0.002 0.000 0.746 226 E HN 0.327 nan 8.360 nan 0.000 0.450 227 R N 0.786 121.346 120.500 0.100 0.000 2.136 227 R HA -0.187 4.156 4.340 0.006 0.000 0.242 227 R C 2.220 178.520 176.300 -0.001 0.000 1.131 227 R CA 2.233 58.373 56.100 0.067 0.000 0.937 227 R CB -1.211 29.200 30.300 0.185 0.000 0.863 227 R HN 0.195 nan 8.270 nan 0.000 0.435 228 A N 0.759 123.592 122.820 0.020 0.000 1.869 228 A HA -0.267 4.056 4.320 0.006 0.000 0.218 228 A C 1.911 179.482 177.584 -0.022 0.000 1.203 228 A CA 2.235 54.265 52.037 -0.013 0.000 0.638 228 A CB -0.784 18.211 19.000 -0.008 0.000 0.831 228 A HN 0.598 nan 8.150 nan 0.000 0.450 229 Q N -0.368 119.394 119.800 -0.064 0.000 2.369 229 Q HA -0.116 4.228 4.340 0.006 0.000 0.206 229 Q C 1.579 177.671 176.000 0.153 0.000 0.963 229 Q CA 1.363 57.140 55.803 -0.043 0.000 0.894 229 Q CB -0.449 28.061 28.738 -0.381 0.000 0.965 229 Q HN 0.893 nan 8.270 nan 0.000 0.475 230 E N 0.515 120.776 120.200 0.103 0.000 2.158 230 E HA -0.070 4.283 4.350 0.006 0.000 0.191 230 E C 1.720 178.395 176.600 0.125 0.000 0.982 230 E CA 0.148 56.650 56.400 0.170 0.000 0.823 230 E CB 0.283 30.015 29.700 0.053 0.000 0.766 230 E HN 0.180 nan 8.360 nan 0.000 0.468 231 I N 1.384 121.928 120.570 -0.044 0.000 2.252 231 I HA -0.247 3.927 4.170 0.006 0.000 0.245 231 I C 2.369 178.555 176.117 0.114 0.000 1.102 231 I CA 1.027 62.244 61.300 -0.138 0.000 1.385 231 I CB -0.976 36.909 38.000 -0.192 0.000 1.064 231 I HN 0.263 nan 8.210 nan 0.000 0.414 232 L N -0.729 120.594 121.223 0.168 0.000 2.131 232 L HA -0.268 4.075 4.340 0.006 0.000 0.210 232 L C 2.665 179.717 176.870 0.304 0.000 1.092 232 L CA 1.310 56.285 54.840 0.225 0.000 0.759 232 L CB -0.838 41.355 42.059 0.224 0.000 0.903 232 L HN 0.191 nan 8.230 nan 0.000 0.435 233 Y N 0.263 120.705 120.300 0.236 0.000 2.224 233 Y HA -0.211 4.343 4.550 0.006 0.000 0.289 233 Y C 2.331 178.368 175.900 0.227 0.000 1.146 233 Y CA 1.406 59.604 58.100 0.164 0.000 1.182 233 Y CB -0.136 38.418 38.460 0.157 0.000 0.983 233 Y HN -0.152 nan 8.280 nan 0.000 0.524 234 V N 0.213 120.322 119.914 0.324 0.000 2.307 234 V HA -0.309 3.814 4.120 0.006 0.000 0.245 234 V C 2.430 178.722 176.094 0.329 0.000 1.045 234 V CA 1.914 64.440 62.300 0.378 0.000 1.024 234 V CB -0.772 31.303 31.823 0.420 0.000 0.651 234 V HN 0.410 nan 8.190 nan 0.000 0.449 235 L N -1.041 120.345 121.223 0.270 0.000 2.127 235 L HA -0.251 4.093 4.340 0.006 0.000 0.211 235 L C 2.462 179.386 176.870 0.090 0.000 1.089 235 L CA 2.139 57.084 54.840 0.175 0.000 0.757 235 L CB -0.688 41.458 42.059 0.145 0.000 0.899 235 L HN 0.455 nan 8.230 nan 0.000 0.434 236 Y N 1.043 121.311 120.300 -0.053 0.000 2.263 236 Y HA -0.210 4.344 4.550 0.006 0.000 0.292 236 Y C 2.727 178.489 175.900 -0.230 0.000 1.130 236 Y CA 1.689 59.697 58.100 -0.153 0.000 1.179 236 Y CB 0.048 38.377 38.460 -0.219 0.000 0.998 236 Y HN 0.202 nan 8.280 nan 0.000 0.532 237 T N -3.415 111.088 114.554 -0.086 0.000 3.107 237 T HA 0.065 4.419 4.350 0.006 0.000 0.249 237 T C 0.709 175.107 174.700 -0.503 0.000 1.096 237 T CA 0.489 62.422 62.100 -0.278 0.000 1.012 237 T CB -0.266 68.381 68.868 -0.369 0.000 0.977 237 T HN 0.490 nan 8.240 nan 0.000 0.527 238 H N -0.851 118.163 119.070 -0.093 0.000 3.398 238 H HA 0.361 4.921 4.556 0.006 0.000 0.260 238 H C 2.163 177.282 175.328 -0.349 0.000 1.189 238 H CA 0.144 56.062 56.048 -0.215 0.000 1.145 238 H CB 0.394 30.086 29.762 -0.117 0.000 1.599 238 H HN 0.471 nan 8.280 nan 0.000 0.615 239 G N 1.480 110.181 108.800 -0.164 0.000 2.475 239 G HA2 -0.336 3.627 3.960 0.006 0.000 0.220 239 G HA3 -0.336 3.627 3.960 0.006 0.000 0.220 239 G C 1.513 176.302 174.900 -0.184 0.000 1.125 239 G CA 1.505 46.504 45.100 -0.168 0.000 0.755 239 G HN 0.585 nan 8.290 nan 0.000 0.565 240 H N 1.287 120.279 119.070 -0.130 0.000 2.387 240 H HA -0.074 4.486 4.556 0.006 0.000 0.299 240 H C 2.282 177.568 175.328 -0.070 0.000 1.099 240 H CA 1.537 57.518 56.048 -0.112 0.000 1.315 240 H CB -0.329 29.358 29.762 -0.124 0.000 1.380 240 H HN 0.498 nan 8.280 nan 0.000 0.513 241 R N 0.578 120.727 120.500 -0.586 0.000 2.334 241 R HA 0.339 4.683 4.340 0.006 0.000 0.216 241 R C -0.288 175.898 176.300 -0.191 0.000 0.905 241 R CA -0.070 55.867 56.100 -0.271 0.000 1.064 241 R CB 0.038 30.153 30.300 -0.308 0.000 1.046 241 R HN 0.254 nan 8.270 nan 0.000 0.508 242 L N 2.780 123.886 121.223 -0.195 0.000 2.325 242 L HA 0.496 4.839 4.340 0.006 0.000 0.279 242 L C -1.887 174.917 176.870 -0.110 0.000 1.054 242 L CA -2.696 52.057 54.840 -0.145 0.000 0.804 242 L CB 1.360 43.334 42.059 -0.142 0.000 1.200 242 L HN 0.054 nan 8.230 nan 0.000 0.436 243 P HA 0.056 nan 4.420 nan 0.000 0.269 243 P C -0.888 176.364 177.300 -0.080 0.000 1.209 243 P CA -0.391 62.662 63.100 -0.080 0.000 0.776 243 P CB 0.526 32.181 31.700 -0.075 0.000 0.876 244 R N 1.484 121.944 120.500 -0.068 0.000 2.458 244 R HA 0.448 4.791 4.340 0.006 0.000 0.303 244 R C 0.174 176.433 176.300 -0.068 0.000 1.013 244 R CA 0.321 56.380 56.100 -0.067 0.000 1.026 244 R CB -0.218 30.049 30.300 -0.055 0.000 0.948 244 R HN 0.664 nan 8.270 nan 0.000 0.417 245 A N 5.324 128.095 122.820 -0.083 0.000 2.605 245 A HA 0.488 4.812 4.320 0.006 0.000 0.294 245 A C -2.643 174.857 177.584 -0.140 0.000 1.062 245 A CA -1.314 50.669 52.037 -0.089 0.000 0.682 245 A CB 1.713 20.667 19.000 -0.077 0.000 1.278 245 A HN 0.455 nan 8.150 nan 0.000 0.410 246 P HA 0.414 nan 4.420 nan 0.000 0.271 246 P C -0.815 176.204 177.300 -0.468 0.000 1.218 246 P CA 0.176 63.036 63.100 -0.401 0.000 0.780 246 P CB 0.656 32.005 31.700 -0.584 0.000 0.901 247 I N 3.437 123.747 120.570 -0.434 0.000 2.412 247 I HA 0.195 4.369 4.170 0.006 0.000 0.279 247 I C -0.231 175.728 176.117 -0.264 0.000 1.063 247 I CA -0.830 60.314 61.300 -0.260 0.000 1.193 247 I CB 0.156 38.090 38.000 -0.111 0.000 1.370 247 I HN 0.264 nan 8.210 nan 0.000 0.479 248 Y N 5.838 126.135 120.300 -0.006 0.000 2.486 248 Y HA 0.203 4.756 4.550 0.006 0.000 0.348 248 Y C 0.301 176.209 175.900 0.013 0.000 1.000 248 Y CA -0.726 57.376 58.100 0.003 0.000 1.253 248 Y CB 0.725 39.179 38.460 -0.010 0.000 1.140 248 Y HN 0.425 nan 8.280 nan 0.000 0.526 249 L N 4.893 126.210 121.223 0.156 0.000 2.422 249 L HA 0.243 4.586 4.340 0.006 0.000 0.256 249 L C -0.062 176.883 176.870 0.124 0.000 1.202 249 L CA -0.247 54.657 54.840 0.108 0.000 1.119 249 L CB -0.457 41.643 42.059 0.068 0.000 1.383 249 L HN 0.512 nan 8.230 nan 0.000 0.411 250 D N 1.805 122.296 120.400 0.152 0.000 2.767 250 D HA 0.145 4.789 4.640 0.006 0.000 0.231 250 D C -0.545 175.818 176.300 0.106 0.000 1.105 250 D CA 0.418 54.507 54.000 0.149 0.000 1.024 250 D CB -0.060 40.882 40.800 0.237 0.000 1.123 250 D HN 0.363 nan 8.370 nan 0.000 0.470 251 S N 1.803 117.544 115.700 0.070 0.000 2.614 251 S HA 0.342 4.815 4.470 0.006 0.000 0.259 251 S C -2.266 172.345 174.600 0.019 0.000 1.118 251 S CA -1.030 57.197 58.200 0.044 0.000 1.065 251 S CB 1.486 64.718 63.200 0.053 0.000 1.121 251 S HN -0.073 nan 8.310 nan 0.000 0.458 252 P HA -0.125 nan 4.420 nan 0.000 0.215 252 P C 1.758 179.051 177.300 -0.012 0.000 1.157 252 P CA 1.088 64.175 63.100 -0.021 0.000 0.868 252 P CB 0.023 31.690 31.700 -0.055 0.000 0.788 253 M N -0.769 118.829 119.600 -0.002 0.000 2.082 253 M HA -0.250 4.233 4.480 0.006 0.000 0.258 253 M C 1.945 178.237 176.300 -0.013 0.000 1.069 253 M CA 2.400 57.701 55.300 0.002 0.000 1.102 253 M CB -0.592 32.022 32.600 0.024 0.000 1.336 253 M HN -0.112 nan 8.290 nan 0.000 0.404 254 A N -0.211 122.604 122.820 -0.008 0.000 1.978 254 A HA -0.073 4.251 4.320 0.006 0.000 0.220 254 A C 2.163 179.704 177.584 -0.071 0.000 1.170 254 A CA 1.854 53.867 52.037 -0.039 0.000 0.636 254 A CB -1.468 17.525 19.000 -0.011 0.000 0.810 254 A HN 0.662 nan 8.150 nan 0.000 0.448 255 G N -0.527 108.252 108.800 -0.035 0.000 2.464 255 G HA2 -0.200 3.763 3.960 0.006 0.000 0.214 255 G HA3 -0.200 3.763 3.960 0.006 0.000 0.214 255 G C 1.709 176.583 174.900 -0.043 0.000 1.218 255 G CA 0.782 45.864 45.100 -0.029 0.000 0.794 255 G HN 0.534 nan 8.290 nan 0.000 0.542 256 R N -0.205 120.276 120.500 -0.030 0.000 2.113 256 R HA -0.128 4.215 4.340 0.006 0.000 0.244 256 R C 2.673 178.945 176.300 -0.046 0.000 1.142 256 R CA 1.611 57.697 56.100 -0.023 0.000 0.953 256 R CB -0.745 29.547 30.300 -0.013 0.000 0.860 256 R HN 0.317 nan 8.270 nan 0.000 0.438 257 V N 1.240 121.099 119.914 -0.090 0.000 2.295 257 V HA -0.237 3.887 4.120 0.006 0.000 0.246 257 V C 2.225 178.120 176.094 -0.331 0.000 1.049 257 V CA 1.662 63.862 62.300 -0.166 0.000 1.024 257 V CB -0.546 31.150 31.823 -0.212 0.000 0.648 257 V HN 0.257 nan 8.190 nan 0.000 0.447 258 L N 0.440 121.460 121.223 -0.338 0.000 2.046 258 L HA -0.140 4.204 4.340 0.006 0.000 0.208 258 L C 2.502 179.322 176.870 -0.084 0.000 1.077 258 L CA 2.189 56.824 54.840 -0.343 0.000 0.747 258 L CB -0.733 41.216 42.059 -0.184 0.000 0.896 258 L HN 0.288 nan 8.230 nan 0.000 0.432 259 S N -0.382 115.306 115.700 -0.020 0.000 2.400 259 S HA -0.173 4.301 4.470 0.006 0.000 0.232 259 S C 1.760 176.415 174.600 0.092 0.000 1.025 259 S CA 1.549 59.778 58.200 0.049 0.000 0.993 259 S CB -0.564 62.658 63.200 0.036 0.000 0.808 259 S HN 0.482 nan 8.310 nan 0.000 0.478 260 L N 0.435 121.713 121.223 0.092 0.000 2.313 260 L HA 0.157 4.501 4.340 0.006 0.000 0.214 260 L C 1.630 178.675 176.870 0.291 0.000 1.119 260 L CA 1.277 56.209 54.840 0.153 0.000 0.809 260 L CB -0.727 41.407 42.059 0.125 0.000 0.933 260 L HN 0.340 nan 8.230 nan 0.000 0.449 261 Y N 0.345 120.689 120.300 0.073 0.000 2.256 261 Y HA -0.162 4.392 4.550 0.006 0.000 0.288 261 Y C -0.322 175.691 175.900 0.189 0.000 1.155 261 Y CA 0.679 58.876 58.100 0.161 0.000 1.203 261 Y CB -1.128 37.358 38.460 0.043 0.000 0.980 261 Y HN 0.327 nan 8.280 nan 0.000 0.530 262 P HA -0.100 nan 4.420 nan 0.000 0.226 262 P C 0.680 177.944 177.300 -0.059 0.000 1.153 262 P CA 1.389 64.512 63.100 0.039 0.000 0.777 262 P CB 0.020 31.816 31.700 0.161 0.000 0.794 263 R N -1.398 119.127 120.500 0.040 0.000 2.297 263 R HA 0.155 4.498 4.340 0.006 0.000 0.197 263 R C 0.497 176.813 176.300 0.026 0.000 0.943 263 R CA 0.402 56.515 56.100 0.021 0.000 1.038 263 R CB -0.070 30.260 30.300 0.049 0.000 0.957 263 R HN 0.126 nan 8.270 nan 0.000 0.484 264 L N -0.325 120.930 121.223 0.052 0.000 2.959 264 L HA 0.100 4.444 4.340 0.006 0.000 0.259 264 L C 1.490 178.373 176.870 0.021 0.000 1.185 264 L CA 0.322 55.209 54.840 0.078 0.000 0.998 264 L CB 0.501 42.542 42.059 -0.029 0.000 1.337 264 L HN -0.081 nan 8.230 nan 0.000 0.555 265 V N 1.638 121.553 119.914 0.001 0.000 2.363 265 V HA -0.344 3.779 4.120 0.006 0.000 0.254 265 V C 2.695 178.834 176.094 0.075 0.000 1.074 265 V CA 2.631 64.959 62.300 0.047 0.000 1.069 265 V CB -0.249 31.282 31.823 -0.486 0.000 0.659 265 V HN 0.762 nan 8.190 nan 0.000 0.455 266 R N -1.699 118.705 120.500 -0.160 0.000 2.241 266 R HA -0.145 4.198 4.340 0.006 0.000 0.224 266 R C 1.726 177.801 176.300 -0.376 0.000 1.101 266 R CA 1.962 57.902 56.100 -0.266 0.000 0.995 266 R CB -0.722 29.349 30.300 -0.381 0.000 0.870 266 R HN 0.585 nan 8.270 nan 0.000 0.463 267 Y N 0.020 120.139 120.300 -0.301 0.000 2.490 267 Y HA 0.257 4.810 4.550 0.006 0.000 0.281 267 Y C 0.113 175.641 175.900 -0.620 0.000 1.174 267 Y CA -0.398 57.416 58.100 -0.478 0.000 1.295 267 Y CB 0.059 38.138 38.460 -0.635 0.000 1.062 267 Y HN -0.095 nan 8.280 nan 0.000 0.522 268 F N -1.246 118.693 119.950 -0.018 0.000 2.535 268 F HA 0.402 4.932 4.527 0.006 0.000 0.367 268 F C 0.950 176.713 175.800 -0.061 0.000 1.096 268 F CA -1.602 56.377 58.000 -0.034 0.000 1.088 268 F CB 0.066 39.085 39.000 0.033 0.000 1.387 268 F HN -0.310 nan 8.300 nan 0.000 0.494 269 S N 0.070 115.872 115.700 0.171 0.000 2.584 269 S HA 0.077 4.551 4.470 0.006 0.000 0.270 269 S C 0.805 175.422 174.600 0.028 0.000 1.346 269 S CA -0.598 57.625 58.200 0.039 0.000 1.018 269 S CB 0.774 63.967 63.200 -0.013 0.000 0.899 269 S HN 0.568 nan 8.310 nan 0.000 0.542 270 E N 1.041 121.241 120.200 0.000 0.000 2.118 270 E HA -0.205 4.148 4.350 0.006 0.000 0.195 270 E C 1.842 178.431 176.600 -0.019 0.000 0.992 270 E CA 1.559 57.959 56.400 0.000 0.000 0.804 270 E CB -0.402 29.296 29.700 -0.003 0.000 0.741 270 E HN 0.945 nan 8.360 nan 0.000 0.458 271 E N 0.782 120.952 120.200 -0.051 0.000 2.017 271 E HA -0.157 4.197 4.350 0.006 0.000 0.193 271 E C 2.196 178.637 176.600 -0.265 0.000 0.997 271 E CA 1.473 57.798 56.400 -0.125 0.000 0.804 271 E CB 0.063 29.709 29.700 -0.091 0.000 0.757 271 E HN 0.000 nan 8.360 nan 0.000 0.448 272 V N 1.451 121.223 119.914 -0.237 0.000 2.324 272 V HA -0.307 3.817 4.120 0.006 0.000 0.250 272 V C 2.505 178.583 176.094 -0.026 0.000 1.060 272 V CA 2.230 64.358 62.300 -0.287 0.000 1.042 272 V CB -0.618 31.042 31.823 -0.272 0.000 0.650 272 V HN 0.375 nan 8.190 nan 0.000 0.450 273 Q N -0.531 119.326 119.800 0.095 0.000 2.119 273 Q HA -0.153 4.191 4.340 0.006 0.000 0.201 273 Q C 2.454 178.544 176.000 0.150 0.000 0.972 273 Q CA 1.591 57.510 55.803 0.193 0.000 0.847 273 Q CB -0.363 28.446 28.738 0.118 0.000 0.903 273 Q HN 0.696 nan 8.270 nan 0.000 0.433 274 A N 0.834 123.691 122.820 0.060 0.000 1.902 274 A HA -0.226 4.098 4.320 0.006 0.000 0.217 274 A C 1.621 179.292 177.584 0.144 0.000 1.181 274 A CA 1.491 53.577 52.037 0.082 0.000 0.623 274 A CB -0.908 18.127 19.000 0.058 0.000 0.818 274 A HN 0.436 nan 8.150 nan 0.000 0.443 275 H N -2.403 116.642 119.070 -0.041 0.000 2.319 275 H HA -0.163 4.396 4.556 0.006 0.000 0.299 275 H C 1.933 177.170 175.328 -0.151 0.000 1.092 275 H CA 1.474 57.430 56.048 -0.153 0.000 1.302 275 H CB -0.211 29.341 29.762 -0.350 0.000 1.373 275 H HN 0.541 nan 8.280 nan 0.000 0.497 276 F N 0.325 120.317 119.950 0.070 0.000 2.171 276 F HA -0.181 4.349 4.527 0.006 0.000 0.300 276 F C 2.385 178.209 175.800 0.040 0.000 1.090 276 F CA 0.648 58.669 58.000 0.035 0.000 1.293 276 F CB -0.423 38.597 39.000 0.032 0.000 1.013 276 F HN 0.096 nan 8.300 nan 0.000 0.486 277 L N 0.130 121.485 121.223 0.220 0.000 2.127 277 L HA -0.178 4.165 4.340 0.006 0.000 0.211 277 L C 1.875 178.803 176.870 0.096 0.000 1.089 277 L CA 1.679 56.600 54.840 0.134 0.000 0.757 277 L CB -0.754 41.364 42.059 0.099 0.000 0.899 277 L HN 0.071 nan 8.230 nan 0.000 0.434 278 Q N 0.276 120.124 119.800 0.081 0.000 2.344 278 Q HA 0.195 4.539 4.340 0.006 0.000 0.212 278 Q C 1.549 177.572 176.000 0.039 0.000 0.943 278 Q CA 0.664 56.493 55.803 0.043 0.000 0.955 278 Q CB -0.860 27.887 28.738 0.015 0.000 1.000 278 Q HN 0.599 nan 8.270 nan 0.000 0.488 279 G N 0.953 109.798 108.800 0.074 0.000 2.175 279 G HA2 -0.343 3.621 3.960 0.006 0.000 0.265 279 G HA3 -0.343 3.621 3.960 0.006 0.000 0.265 279 G C -0.002 174.939 174.900 0.067 0.000 0.979 279 G CA 0.784 45.933 45.100 0.081 0.000 0.663 279 G HN 0.395 nan 8.290 nan 0.000 0.533 280 K N -0.122 120.283 120.400 0.010 0.000 2.156 280 K HA 0.501 4.825 4.320 0.006 0.000 0.254 280 K C -0.406 176.029 176.600 -0.274 0.000 0.950 280 K CA -1.007 55.241 56.287 -0.065 0.000 0.849 280 K CB 1.044 33.502 32.500 -0.070 0.000 1.100 280 K HN 0.048 nan 8.250 nan 0.000 0.434 281 N N 3.202 121.760 118.700 -0.237 0.000 2.527 281 N HA 0.140 4.883 4.740 0.006 0.000 0.236 281 N C -2.028 173.069 175.510 -0.689 0.000 0.999 281 N CA -2.308 50.502 53.050 -0.400 0.000 0.935 281 N CB 0.889 39.416 38.487 0.066 0.000 1.132 281 N HN 0.332 nan 8.380 nan 0.000 0.511 282 P HA 0.030 nan 4.420 nan 0.000 0.247 282 P C -0.068 176.601 177.300 -1.050 0.000 1.225 282 P CA 0.386 62.441 63.100 -1.742 0.000 0.768 282 P CB -0.187 30.829 31.700 -1.141 0.000 1.020 283 F N 0.448 120.238 119.950 -0.267 0.000 2.639 283 F HA 0.287 4.818 4.527 0.006 0.000 0.302 283 F C 1.103 176.928 175.800 0.043 0.000 1.097 283 F CA -0.279 57.719 58.000 -0.004 0.000 1.294 283 F CB 0.341 39.392 39.000 0.085 0.000 1.027 283 F HN -0.231 nan 8.300 nan 0.000 0.550 284 R N 1.696 122.303 120.500 0.179 0.000 2.472 284 R HA 0.306 4.650 4.340 0.006 0.000 0.294 284 R C -2.954 173.515 176.300 0.282 0.000 1.243 284 R CA -1.517 54.701 56.100 0.197 0.000 1.023 284 R CB 1.265 31.658 30.300 0.155 0.000 1.157 284 R HN -0.091 nan 8.270 nan 0.000 0.530 285 P HA 0.160 nan 4.420 nan 0.000 0.276 285 P C -0.354 176.962 177.300 0.027 0.000 1.261 285 P CA -0.464 62.718 63.100 0.138 0.000 0.800 285 P CB 0.838 32.597 31.700 0.098 0.000 1.066 286 A N 0.001 122.784 122.820 -0.062 0.000 2.477 286 A HA 0.448 4.771 4.320 0.006 0.000 0.246 286 A C 1.374 178.920 177.584 -0.064 0.000 1.078 286 A CA 0.691 52.688 52.037 -0.065 0.000 0.770 286 A CB -1.466 17.475 19.000 -0.098 0.000 1.011 286 A HN 0.891 nan 8.150 nan 0.000 0.494 287 G N 0.545 109.308 108.800 -0.063 0.000 2.176 287 G HA2 -0.111 3.852 3.960 0.006 0.000 0.253 287 G HA3 -0.111 3.852 3.960 0.006 0.000 0.253 287 G C 0.166 174.992 174.900 -0.123 0.000 0.979 287 G CA 0.269 45.310 45.100 -0.097 0.000 0.641 287 G HN 1.829 nan 8.290 nan 0.000 0.530 288 L N 0.941 122.124 121.223 -0.066 0.000 2.455 288 L HA 0.756 5.099 4.340 0.006 0.000 0.272 288 L C 0.007 176.851 176.870 -0.043 0.000 1.174 288 L CA -0.226 54.584 54.840 -0.051 0.000 0.869 288 L CB 1.101 43.170 42.059 0.017 0.000 1.130 288 L HN 0.259 nan 8.230 nan 0.000 0.474 289 E N 3.189 123.361 120.200 -0.047 0.000 2.272 289 E HA 0.498 4.852 4.350 0.006 0.000 0.269 289 E C -1.687 174.972 176.600 0.099 0.000 0.877 289 E CA -0.568 55.851 56.400 0.031 0.000 0.755 289 E CB 1.907 31.635 29.700 0.046 0.000 1.192 289 E HN 0.430 nan 8.360 nan 0.000 0.422 290 V N 4.908 124.881 119.914 0.098 0.000 2.333 290 V HA 0.272 4.395 4.120 0.006 0.000 0.274 290 V C -0.439 175.724 176.094 0.114 0.000 1.028 290 V CA -0.773 61.584 62.300 0.095 0.000 0.851 290 V CB 1.417 33.279 31.823 0.064 0.000 1.000 290 V HN 0.571 nan 8.190 nan 0.000 0.456 291 V N 6.064 126.056 119.914 0.130 0.000 2.387 291 V HA 0.211 4.334 4.120 0.006 0.000 0.260 291 V C 1.197 177.335 176.094 0.074 0.000 1.054 291 V CA -0.194 62.176 62.300 0.117 0.000 0.967 291 V CB 0.757 32.645 31.823 0.109 0.000 1.036 291 V HN 0.861 nan 8.190 nan 0.000 0.481 292 E N 2.848 123.106 120.200 0.097 0.000 2.076 292 E HA 0.007 4.361 4.350 0.006 0.000 0.190 292 E C 0.258 176.740 176.600 -0.196 0.000 0.979 292 E CA 1.119 57.522 56.400 0.006 0.000 0.807 292 E CB 0.152 29.939 29.700 0.145 0.000 0.761 292 E HN 0.835 nan 8.360 nan 0.000 0.454 293 H N -1.342 117.730 119.070 0.004 0.000 2.797 293 H HA 0.281 4.840 4.556 0.006 0.000 0.362 293 H C 1.196 176.507 175.328 -0.030 0.000 1.183 293 H CA -0.140 55.901 56.048 -0.011 0.000 1.197 293 H CB 0.990 30.746 29.762 -0.011 0.000 1.835 293 H HN -0.227 nan 8.280 nan 0.000 0.567 294 T N 0.136 114.733 114.554 0.073 0.000 2.597 294 T HA -0.211 4.143 4.350 0.006 0.000 0.267 294 T C 1.595 176.280 174.700 -0.026 0.000 1.053 294 T CA 1.736 63.827 62.100 -0.016 0.000 1.165 294 T CB -0.074 68.771 68.868 -0.038 0.000 0.863 294 T HN 0.556 nan 8.240 nan 0.000 0.427 295 E N 1.281 121.480 120.200 -0.002 0.000 2.108 295 E HA -0.202 4.151 4.350 0.006 0.000 0.203 295 E C 2.547 179.128 176.600 -0.030 0.000 1.022 295 E CA 1.640 58.026 56.400 -0.023 0.000 0.823 295 E CB -0.626 29.063 29.700 -0.018 0.000 0.744 295 E HN 0.589 nan 8.360 nan 0.000 0.456 296 A N 0.409 123.224 122.820 -0.009 0.000 1.968 296 A HA -0.099 4.224 4.320 0.006 0.000 0.217 296 A C 2.374 179.926 177.584 -0.053 0.000 1.169 296 A CA 1.653 53.674 52.037 -0.026 0.000 0.638 296 A CB -0.370 18.636 19.000 0.009 0.000 0.812 296 A HN 0.225 nan 8.150 nan 0.000 0.446 297 S N -0.624 115.056 115.700 -0.033 0.000 2.371 297 S HA -0.115 4.358 4.470 0.006 0.000 0.224 297 S C 2.087 176.663 174.600 -0.041 0.000 1.029 297 S CA 1.329 59.513 58.200 -0.026 0.000 0.978 297 S CB -0.209 62.962 63.200 -0.048 0.000 0.833 297 S HN 0.475 nan 8.310 nan 0.000 0.466 298 K N 1.502 121.850 120.400 -0.088 0.000 2.057 298 K HA 0.082 4.405 4.320 0.006 0.000 0.206 298 K C 2.334 178.881 176.600 -0.088 0.000 1.050 298 K CA 1.143 57.367 56.287 -0.105 0.000 0.935 298 K CB -0.995 31.434 32.500 -0.119 0.000 0.715 298 K HN 0.421 nan 8.250 nan 0.000 0.439 299 A N 1.801 124.572 122.820 -0.081 0.000 1.997 299 A HA -0.167 4.156 4.320 0.006 0.000 0.221 299 A C 2.254 179.780 177.584 -0.095 0.000 1.172 299 A CA 1.371 53.358 52.037 -0.084 0.000 0.645 299 A CB -0.749 18.206 19.000 -0.075 0.000 0.813 299 A HN 0.218 nan 8.150 nan 0.000 0.454 300 L N -0.122 121.037 121.223 -0.106 0.000 2.191 300 L HA -0.182 4.162 4.340 0.006 0.000 0.212 300 L C 1.917 178.759 176.870 -0.046 0.000 1.103 300 L CA 0.959 55.716 54.840 -0.138 0.000 0.769 300 L CB -0.643 41.296 42.059 -0.201 0.000 0.908 300 L HN 0.465 nan 8.230 nan 0.000 0.438 301 N N 0.496 119.194 118.700 -0.004 0.000 2.270 301 N HA -0.121 4.623 4.740 0.006 0.000 0.181 301 N C 1.798 177.265 175.510 -0.071 0.000 1.016 301 N CA 1.034 54.081 53.050 -0.005 0.000 0.870 301 N CB -0.116 38.269 38.487 -0.169 0.000 0.979 301 N HN 0.424 nan 8.380 nan 0.000 0.431 302 R N 0.531 120.973 120.500 -0.098 0.000 2.189 302 R HA 0.286 4.629 4.340 0.006 0.000 0.203 302 R C 0.763 177.038 176.300 -0.043 0.000 1.012 302 R CA 0.081 56.135 56.100 -0.077 0.000 1.015 302 R CB 0.159 30.407 30.300 -0.087 0.000 0.938 302 R HN 0.051 nan 8.270 nan 0.000 0.472 303 A N 3.279 126.072 122.820 -0.046 0.000 2.445 303 A HA 0.262 4.585 4.320 0.006 0.000 0.242 303 A C -2.048 175.529 177.584 -0.013 0.000 1.075 303 A CA -1.175 50.844 52.037 -0.030 0.000 0.777 303 A CB -0.086 18.889 19.000 -0.042 0.000 1.013 303 A HN -0.009 nan 8.150 nan 0.000 0.493 304 P HA 0.307 nan 4.420 nan 0.000 0.276 304 P C 0.438 177.748 177.300 0.017 0.000 1.261 304 P CA 0.018 63.122 63.100 0.007 0.000 0.800 304 P CB 0.754 32.458 31.700 0.006 0.000 1.066 305 G N 0.523 109.331 108.800 0.013 0.000 2.535 305 G HA2 0.428 4.392 3.960 0.006 0.000 0.282 305 G HA3 0.428 4.392 3.960 0.006 0.000 0.282 305 G C -2.294 172.614 174.900 0.012 0.000 1.350 305 G CA -1.143 43.966 45.100 0.016 0.000 1.039 305 G HN 0.442 nan 8.290 nan 0.000 0.509 306 P HA 0.378 nan 4.420 nan 0.000 0.285 306 P C -0.618 176.685 177.300 0.005 0.000 1.259 306 P CA -0.020 63.076 63.100 -0.008 0.000 0.794 306 P CB 1.325 33.009 31.700 -0.026 0.000 0.940 307 M N 0.863 120.466 119.600 0.006 0.000 2.562 307 M HA 0.505 4.989 4.480 0.006 0.000 0.281 307 M C -2.042 174.261 176.300 0.006 0.000 1.195 307 M CA -1.034 54.284 55.300 0.029 0.000 0.888 307 M CB 1.783 34.489 32.600 0.177 0.000 1.731 307 M HN -0.106 nan 8.290 nan 0.000 0.493 308 V N 2.327 122.236 119.914 -0.009 0.000 2.459 308 V HA 0.732 4.855 4.120 0.006 0.000 0.295 308 V C -0.628 175.491 176.094 0.041 0.000 1.029 308 V CA -0.630 61.664 62.300 -0.011 0.000 0.874 308 V CB 1.789 33.592 31.823 -0.033 0.000 0.985 308 V HN 0.710 nan 8.190 nan 0.000 0.438 309 V N 6.354 126.278 119.914 0.017 0.000 2.540 309 V HA 0.537 4.660 4.120 0.006 0.000 0.302 309 V C -0.422 175.684 176.094 0.021 0.000 1.035 309 V CA -0.542 61.764 62.300 0.010 0.000 0.873 309 V CB 1.903 33.617 31.823 -0.183 0.000 0.992 309 V HN 0.634 nan 8.190 nan 0.000 0.428 310 L N 4.460 125.719 121.223 0.061 0.000 2.325 310 L HA 0.931 5.274 4.340 0.006 0.000 0.281 310 L C -0.042 176.882 176.870 0.091 0.000 1.004 310 L CA -0.323 54.553 54.840 0.060 0.000 0.823 310 L CB 1.705 43.796 42.059 0.055 0.000 1.236 310 L HN 0.799 nan 8.230 nan 0.000 0.415 311 A N 2.207 125.083 122.820 0.092 0.000 2.606 311 A HA 0.902 5.225 4.320 0.006 0.000 0.293 311 A C -0.558 177.073 177.584 0.078 0.000 1.082 311 A CA -0.259 51.849 52.037 0.119 0.000 0.685 311 A CB 1.764 20.895 19.000 0.219 0.000 1.284 311 A HN 0.682 nan 8.150 nan 0.000 0.408 312 G N -0.078 108.771 108.800 0.081 0.000 2.552 312 G HA2 0.602 4.566 3.960 0.006 0.000 0.324 312 G HA3 0.602 4.566 3.960 0.006 0.000 0.324 312 G C 0.105 175.054 174.900 0.082 0.000 1.217 312 G CA 0.193 45.341 45.100 0.079 0.000 0.989 312 G HN 1.563 nan 8.290 nan 0.000 0.490 313 S N -1.126 114.631 115.700 0.094 0.000 2.592 313 S HA 0.403 4.876 4.470 0.006 0.000 0.271 313 S C 1.493 176.126 174.600 0.055 0.000 1.326 313 S CA 0.123 58.400 58.200 0.129 0.000 1.024 313 S CB 1.488 64.791 63.200 0.172 0.000 0.921 313 S HN 1.119 nan 8.310 nan 0.000 0.527 314 G N 0.361 109.130 108.800 -0.053 0.000 2.653 314 G HA2 -0.017 3.946 3.960 0.006 0.000 0.212 314 G HA3 -0.017 3.946 3.960 0.006 0.000 0.212 314 G C 0.685 175.420 174.900 -0.275 0.000 1.138 314 G CA 0.253 45.047 45.100 -0.510 0.000 0.782 314 G HN 0.713 nan 8.290 nan 0.000 0.535 315 M N -0.158 119.464 119.600 0.036 0.000 2.502 315 M HA 0.341 4.825 4.480 0.006 0.000 0.351 315 M C 0.540 176.913 176.300 0.120 0.000 1.118 315 M CA -0.168 55.206 55.300 0.124 0.000 0.952 315 M CB 0.637 33.384 32.600 0.244 0.000 1.424 315 M HN 0.035 nan 8.290 nan 0.000 0.529 316 L N -0.259 121.030 121.223 0.111 0.000 4.179 316 L HA -0.279 4.064 4.340 0.006 0.000 0.418 316 L C 1.055 177.973 176.870 0.080 0.000 1.168 316 L CA 0.461 55.360 54.840 0.098 0.000 0.972 316 L CB -1.948 40.183 42.059 0.120 0.000 2.005 316 L HN 0.509 nan 8.230 nan 0.000 0.935 317 A N 0.448 123.326 122.820 0.096 0.000 2.416 317 A HA 0.541 4.864 4.320 0.006 0.000 0.252 317 A C 1.313 178.941 177.584 0.073 0.000 1.353 317 A CA 1.041 53.130 52.037 0.087 0.000 0.996 317 A CB -0.481 18.586 19.000 0.111 0.000 0.961 317 A HN 1.230 nan 8.150 nan 0.000 0.523 318 G N -2.204 106.631 108.800 0.058 0.000 2.373 318 G HA2 0.535 4.499 3.960 0.006 0.000 0.634 318 G HA3 0.535 4.499 3.960 0.006 0.000 0.634 318 G C 0.473 175.409 174.900 0.060 0.000 1.267 318 G CA -0.005 45.124 45.100 0.048 0.000 1.008 318 G HN 2.480 nan 8.290 nan 0.000 0.497 319 G N -1.495 107.345 108.800 0.068 0.000 2.631 319 G HA2 0.157 4.121 3.960 0.006 0.000 0.504 319 G HA3 0.157 4.121 3.960 0.006 0.000 0.504 319 G C 0.602 175.559 174.900 0.095 0.000 1.306 319 G CA 0.657 45.802 45.100 0.075 0.000 0.897 319 G HN 1.296 nan 8.290 nan 0.000 0.520 320 R N -0.665 119.872 120.500 0.062 0.000 2.148 320 R HA 0.076 4.419 4.340 0.006 0.000 0.223 320 R C 2.675 178.934 176.300 -0.069 0.000 1.088 320 R CA 1.223 57.323 56.100 0.000 0.000 0.985 320 R CB -0.215 30.038 30.300 -0.079 0.000 0.880 320 R HN 0.501 nan 8.270 nan 0.000 0.451 321 I N 1.431 122.025 120.570 0.040 0.000 2.315 321 I HA -0.287 3.887 4.170 0.006 0.000 0.251 321 I C 1.726 177.873 176.117 0.051 0.000 1.125 321 I CA 1.505 62.864 61.300 0.099 0.000 1.392 321 I CB -0.054 38.000 38.000 0.090 0.000 1.065 321 I HN 0.116 nan 8.210 nan 0.000 0.424 322 L N -0.519 120.701 121.223 -0.005 0.000 1.976 322 L HA -0.268 4.075 4.340 0.006 0.000 0.209 322 L C 2.641 179.441 176.870 -0.116 0.000 1.071 322 L CA 1.636 56.426 54.840 -0.083 0.000 0.746 322 L CB -1.233 40.724 42.059 -0.169 0.000 0.890 322 L HN 0.334 nan 8.230 nan 0.000 0.432 323 H N -0.982 118.051 119.070 -0.062 0.000 2.426 323 H HA -0.186 4.373 4.556 0.006 0.000 0.298 323 H C 2.316 177.690 175.328 0.076 0.000 1.107 323 H CA 1.590 57.628 56.048 -0.018 0.000 1.298 323 H CB -0.186 29.528 29.762 -0.081 0.000 1.377 323 H HN 0.469 nan 8.280 nan 0.000 0.519 324 H N 0.134 119.312 119.070 0.181 0.000 2.284 324 H HA -0.059 4.500 4.556 0.006 0.000 0.304 324 H C 2.541 177.918 175.328 0.081 0.000 1.069 324 H CA 0.612 56.736 56.048 0.126 0.000 1.327 324 H CB -0.407 29.396 29.762 0.068 0.000 1.387 324 H HN 0.158 nan 8.280 nan 0.000 0.498 325 L N 1.386 122.704 121.223 0.158 0.000 2.079 325 L HA -0.160 4.184 4.340 0.006 0.000 0.210 325 L C 2.498 179.369 176.870 0.001 0.000 1.081 325 L CA 1.450 56.324 54.840 0.057 0.000 0.752 325 L CB -0.568 41.504 42.059 0.022 0.000 0.896 325 L HN 0.188 nan 8.230 nan 0.000 0.433 326 K N -1.294 119.069 120.400 -0.062 0.000 2.211 326 K HA -0.183 4.140 4.320 0.006 0.000 0.204 326 K C 1.491 177.889 176.600 -0.337 0.000 1.047 326 K CA 1.316 57.464 56.287 -0.231 0.000 0.935 326 K CB 0.004 32.283 32.500 -0.368 0.000 0.728 326 K HN 0.509 nan 8.250 nan 0.000 0.452 327 H N -2.632 116.469 119.070 0.051 0.000 2.827 327 H HA 0.156 4.715 4.556 0.006 0.000 0.269 327 H C 1.280 176.634 175.328 0.042 0.000 1.031 327 H CA 0.746 56.823 56.048 0.050 0.000 1.202 327 H CB 1.344 31.145 29.762 0.066 0.000 1.511 327 H HN 0.339 nan 8.280 nan 0.000 0.517 328 G N 0.014 108.891 108.800 0.130 0.000 3.274 328 G HA2 0.024 3.987 3.960 0.006 0.000 0.250 328 G HA3 0.024 3.987 3.960 0.006 0.000 0.250 328 G C 1.142 176.069 174.900 0.045 0.000 1.024 328 G CA -0.105 45.045 45.100 0.082 0.000 0.840 328 G HN 0.072 nan 8.290 nan 0.000 0.522 329 L N 2.096 123.339 121.223 0.033 0.000 2.478 329 L HA 0.135 4.478 4.340 0.006 0.000 0.223 329 L C 2.612 179.492 176.870 0.017 0.000 1.140 329 L CA 1.633 56.485 54.840 0.019 0.000 0.842 329 L CB 0.057 42.121 42.059 0.009 0.000 0.953 329 L HN 0.281 nan 8.230 nan 0.000 0.452 330 S N -2.968 112.744 115.700 0.019 0.000 2.548 330 S HA 0.058 4.531 4.470 0.006 0.000 0.215 330 S C 0.663 175.276 174.600 0.021 0.000 0.976 330 S CA -0.349 57.861 58.200 0.017 0.000 0.908 330 S CB -0.185 63.025 63.200 0.016 0.000 0.781 330 S HN 0.370 nan 8.310 nan 0.000 0.519 331 D N 2.447 122.862 120.400 0.025 0.000 2.303 331 D HA 0.318 4.961 4.640 0.006 0.000 0.236 331 D C -1.825 174.487 176.300 0.020 0.000 1.068 331 D CA -2.375 51.639 54.000 0.023 0.000 0.830 331 D CB 2.209 43.024 40.800 0.026 0.000 1.109 331 D HN -0.019 nan 8.370 nan 0.000 0.496 332 P HA -0.056 nan 4.420 nan 0.000 0.226 332 P C 1.088 178.399 177.300 0.019 0.000 1.153 332 P CA 0.446 63.556 63.100 0.018 0.000 0.777 332 P CB 0.557 32.266 31.700 0.014 0.000 0.794 333 R N -0.900 119.609 120.500 0.015 0.000 2.193 333 R HA 0.053 4.396 4.340 0.006 0.000 0.213 333 R C 0.571 176.877 176.300 0.009 0.000 1.055 333 R CA 0.304 56.410 56.100 0.010 0.000 0.995 333 R CB -0.136 30.168 30.300 0.006 0.000 0.893 333 R HN 0.259 nan 8.270 nan 0.000 0.459 334 N N 0.344 119.052 118.700 0.013 0.000 2.513 334 N HA 0.254 4.997 4.740 0.006 0.000 0.274 334 N C -0.836 174.688 175.510 0.023 0.000 1.189 334 N CA 0.058 53.114 53.050 0.010 0.000 0.975 334 N CB 1.471 39.965 38.487 0.012 0.000 1.157 334 N HN 0.062 nan 8.380 nan 0.000 0.465 335 A N 1.045 123.872 122.820 0.013 0.000 2.386 335 A HA 0.598 4.922 4.320 0.006 0.000 0.311 335 A C -0.943 176.653 177.584 0.021 0.000 1.068 335 A CA -0.682 51.383 52.037 0.047 0.000 0.743 335 A CB 0.990 19.986 19.000 -0.006 0.000 1.258 335 A HN 0.615 nan 8.150 nan 0.000 0.429 336 L N 3.187 124.451 121.223 0.069 0.000 2.298 336 L HA 0.596 4.940 4.340 0.006 0.000 0.284 336 L C -1.406 175.457 176.870 -0.012 0.000 1.013 336 L CA -0.655 54.155 54.840 -0.050 0.000 0.824 336 L CB 1.446 43.439 42.059 -0.111 0.000 1.221 336 L HN 0.476 nan 8.230 nan 0.000 0.418 337 V N 5.305 125.174 119.914 -0.075 0.000 2.350 337 V HA 0.323 4.447 4.120 0.006 0.000 0.285 337 V C -0.365 175.721 176.094 -0.014 0.000 1.014 337 V CA -0.471 61.863 62.300 0.056 0.000 0.831 337 V CB 1.324 33.257 31.823 0.183 0.000 1.000 337 V HN 0.435 nan 8.190 nan 0.000 0.433 338 F N 4.400 124.440 119.950 0.151 0.000 2.424 338 F HA 0.369 4.900 4.527 0.006 0.000 0.356 338 F C 0.929 176.811 175.800 0.136 0.000 1.110 338 F CA -0.330 57.728 58.000 0.097 0.000 1.161 338 F CB 1.736 40.779 39.000 0.071 0.000 1.115 338 F HN 0.404 nan 8.300 nan 0.000 0.507 339 V N 0.958 121.039 119.914 0.278 0.000 3.176 339 V HA 0.731 4.854 4.120 0.006 0.000 0.332 339 V C 0.345 176.566 176.094 0.211 0.000 1.414 339 V CA 0.200 62.665 62.300 0.275 0.000 1.133 339 V CB -0.097 31.755 31.823 0.047 0.000 1.088 339 V HN 0.744 nan 8.190 nan 0.000 0.473 340 G N -1.015 107.903 108.800 0.197 0.000 2.660 340 G HA2 0.457 4.421 3.960 0.006 0.000 0.290 340 G HA3 0.457 4.421 3.960 0.006 0.000 0.290 340 G C -1.780 173.253 174.900 0.221 0.000 1.432 340 G CA -0.989 44.229 45.100 0.197 0.000 0.807 340 G HN 0.206 nan 8.290 nan 0.000 0.485 341 Y N 1.096 121.528 120.300 0.221 0.000 2.610 341 Y HA 0.354 4.907 4.550 0.006 0.000 0.332 341 Y C 0.059 176.024 175.900 0.108 0.000 1.201 341 Y CA 0.329 58.551 58.100 0.204 0.000 1.465 341 Y CB 0.812 39.459 38.460 0.311 0.000 1.283 341 Y HN 0.251 nan 8.280 nan 0.000 0.563 342 Q N 8.551 127.919 119.800 -0.720 0.000 2.333 342 Q HA 0.320 4.664 4.340 0.006 0.000 0.265 342 Q C -2.510 173.036 176.000 -0.756 0.000 0.989 342 Q CA -2.326 53.152 55.803 -0.542 0.000 0.842 342 Q CB 1.379 29.777 28.738 -0.566 0.000 1.262 342 Q HN 0.556 nan 8.270 nan 0.000 0.451 343 P HA -0.064 nan 4.420 nan 0.000 0.268 343 P C -0.491 176.783 177.300 -0.044 0.000 1.204 343 P CA -0.068 63.094 63.100 0.103 0.000 0.768 343 P CB 0.627 32.461 31.700 0.224 0.000 0.842 344 Q N 1.450 121.258 119.800 0.013 0.000 2.361 344 Q HA 0.368 4.711 4.340 0.006 0.000 0.276 344 Q C 1.065 177.066 176.000 0.003 0.000 1.022 344 Q CA 0.202 55.995 55.803 -0.016 0.000 0.898 344 Q CB -0.176 28.575 28.738 0.020 0.000 1.246 344 Q HN 0.811 nan 8.270 nan 0.000 0.410 345 G N 1.187 109.978 108.800 -0.014 0.000 2.268 345 G HA2 -0.239 3.725 3.960 0.006 0.000 0.240 345 G HA3 -0.239 3.725 3.960 0.006 0.000 0.240 345 G C 0.391 175.289 174.900 -0.003 0.000 1.010 345 G CA -0.329 44.770 45.100 -0.002 0.000 0.618 345 G HN 1.124 nan 8.290 nan 0.000 0.516 346 G N -0.491 108.302 108.800 -0.011 0.000 2.537 346 G HA2 0.583 4.546 3.960 0.006 0.000 0.273 346 G HA3 0.583 4.546 3.960 0.006 0.000 0.273 346 G C 1.100 175.989 174.900 -0.017 0.000 1.189 346 G CA 0.134 45.231 45.100 -0.005 0.000 0.881 346 G HN 0.901 nan 8.290 nan 0.000 0.535 347 L N 1.884 123.111 121.223 0.007 0.000 2.129 347 L HA -0.044 4.300 4.340 0.006 0.000 0.212 347 L C 2.582 179.466 176.870 0.024 0.000 1.087 347 L CA 2.803 57.656 54.840 0.022 0.000 0.757 347 L CB -0.939 41.145 42.059 0.042 0.000 0.896 347 L HN 0.613 nan 8.230 nan 0.000 0.434 348 G N -0.991 107.801 108.800 -0.013 0.000 2.480 348 G HA2 -0.296 3.667 3.960 0.006 0.000 0.216 348 G HA3 -0.296 3.667 3.960 0.006 0.000 0.216 348 G C 1.629 176.385 174.900 -0.239 0.000 1.200 348 G CA 1.237 46.250 45.100 -0.144 0.000 0.782 348 G HN 0.672 nan 8.290 nan 0.000 0.554 349 A N 0.702 123.390 122.820 -0.219 0.000 1.892 349 A HA -0.140 4.183 4.320 0.006 0.000 0.218 349 A C 2.163 179.691 177.584 -0.092 0.000 1.188 349 A CA 2.306 54.236 52.037 -0.178 0.000 0.631 349 A CB -0.647 18.270 19.000 -0.138 0.000 0.822 349 A HN 0.559 nan 8.150 nan 0.000 0.447 350 E N -0.194 119.975 120.200 -0.051 0.000 2.021 350 E HA -0.221 4.133 4.350 0.006 0.000 0.200 350 E C 1.905 178.507 176.600 0.003 0.000 1.015 350 E CA 1.685 58.075 56.400 -0.017 0.000 0.824 350 E CB -0.321 29.378 29.700 -0.002 0.000 0.762 350 E HN 0.618 nan 8.360 nan 0.000 0.454 351 I N 1.050 121.642 120.570 0.037 0.000 2.236 351 I HA -0.321 3.853 4.170 0.006 0.000 0.249 351 I C 2.403 178.567 176.117 0.078 0.000 1.102 351 I CA 1.178 62.529 61.300 0.085 0.000 1.365 351 I CB -0.301 37.812 38.000 0.187 0.000 1.051 351 I HN 0.315 nan 8.210 nan 0.000 0.420 352 I N 0.598 121.187 120.570 0.033 0.000 2.493 352 I HA -0.227 3.946 4.170 0.006 0.000 0.254 352 I C 2.694 178.809 176.117 -0.004 0.000 1.160 352 I CA 0.965 62.270 61.300 0.008 0.000 1.445 352 I CB -0.521 37.417 38.000 -0.105 0.000 1.086 352 I HN 0.182 nan 8.210 nan 0.000 0.433 353 A N 0.493 123.307 122.820 -0.012 0.000 2.015 353 A HA -0.139 4.185 4.320 0.006 0.000 0.219 353 A C 1.461 179.046 177.584 0.000 0.000 1.163 353 A CA 0.575 52.606 52.037 -0.010 0.000 0.646 353 A CB -0.315 18.678 19.000 -0.011 0.000 0.806 353 A HN 0.491 nan 8.150 nan 0.000 0.448 354 R N -1.213 119.294 120.500 0.011 0.000 3.125 354 R HA -0.101 4.243 4.340 0.006 0.000 0.258 354 R C -2.399 173.905 176.300 0.008 0.000 0.968 354 R CA 0.506 56.614 56.100 0.013 0.000 0.656 354 R CB -1.646 28.657 30.300 0.006 0.000 1.251 354 R HN 0.530 nan 8.270 nan 0.000 0.428 355 P HA 0.200 nan 4.420 nan 0.000 0.279 355 P C -1.933 175.370 177.300 0.006 0.000 1.282 355 P CA -0.987 62.117 63.100 0.006 0.000 0.788 355 P CB 0.526 32.228 31.700 0.005 0.000 1.139 356 P HA 0.074 nan 4.420 nan 0.000 0.225 356 P C -0.016 177.286 177.300 0.004 0.000 1.156 356 P CA 0.941 64.043 63.100 0.004 0.000 0.787 356 P CB 0.293 31.994 31.700 0.002 0.000 0.802 357 A N -0.561 122.261 122.820 0.003 0.000 2.411 357 A HA 0.392 4.715 4.320 0.006 0.000 0.303 357 A C -0.477 177.107 177.584 -0.001 0.000 1.038 357 A CA -0.565 51.472 52.037 0.001 0.000 1.011 357 A CB 0.167 19.167 19.000 -0.001 0.000 1.505 357 A HN -0.140 nan 8.150 nan 0.000 0.380 358 V N 2.081 121.996 119.914 0.002 0.000 3.376 358 V HA 0.359 4.482 4.120 0.006 0.000 0.303 358 V C 1.086 177.174 176.094 -0.010 0.000 1.100 358 V CA -0.074 62.226 62.300 0.001 0.000 1.126 358 V CB 1.120 32.950 31.823 0.011 0.000 1.085 358 V HN 0.880 nan 8.190 nan 0.000 0.480 359 R N 2.065 122.557 120.500 -0.012 0.000 2.393 359 R HA 0.665 5.008 4.340 0.006 0.000 0.310 359 R C -1.444 174.838 176.300 -0.031 0.000 0.968 359 R CA -0.505 55.581 56.100 -0.022 0.000 0.867 359 R CB 0.903 31.193 30.300 -0.017 0.000 1.124 359 R HN 0.713 nan 8.270 nan 0.000 0.450 360 I N 5.861 126.399 120.570 -0.052 0.000 2.478 360 I HA 0.182 4.356 4.170 0.006 0.000 0.287 360 I C -0.538 175.520 176.117 -0.098 0.000 1.042 360 I CA -1.086 60.169 61.300 -0.075 0.000 1.067 360 I CB 1.960 39.905 38.000 -0.092 0.000 1.233 360 I HN 0.660 nan 8.210 nan 0.000 0.431 361 L N 6.739 127.905 121.223 -0.096 0.000 3.823 361 L HA -0.194 4.150 4.340 0.006 0.000 0.525 361 L C 0.999 177.833 176.870 -0.060 0.000 1.247 361 L CA 1.215 55.998 54.840 -0.095 0.000 0.776 361 L CB -2.017 39.944 42.059 -0.165 0.000 1.443 361 L HN 1.057 nan 8.230 nan 0.000 0.831 362 G N 0.266 109.042 108.800 -0.040 0.000 2.367 362 G HA2 -0.118 3.845 3.960 0.006 0.000 0.295 362 G HA3 -0.118 3.845 3.960 0.006 0.000 0.295 362 G C 0.082 174.966 174.900 -0.027 0.000 1.019 362 G CA 0.798 45.883 45.100 -0.025 0.000 1.224 362 G HN 0.987 nan 8.290 nan 0.000 0.510 363 E N -0.900 119.281 120.200 -0.033 0.000 2.857 363 E HA 0.267 4.620 4.350 0.006 0.000 0.309 363 E C -1.128 175.450 176.600 -0.037 0.000 1.113 363 E CA -0.699 55.681 56.400 -0.033 0.000 0.906 363 E CB 0.655 30.329 29.700 -0.044 0.000 1.191 363 E HN 0.154 nan 8.360 nan 0.000 0.449 364 E N 1.954 122.139 120.200 -0.026 0.000 2.229 364 E HA 0.356 4.710 4.350 0.006 0.000 0.283 364 E C -0.822 175.762 176.600 -0.027 0.000 1.030 364 E CA -0.404 55.982 56.400 -0.023 0.000 0.836 364 E CB 1.546 31.238 29.700 -0.013 0.000 1.068 364 E HN 0.344 nan 8.360 nan 0.000 0.401 365 V N 2.691 122.587 119.914 -0.030 0.000 2.409 365 V HA 0.649 4.772 4.120 0.006 0.000 0.291 365 V C -2.527 173.559 176.094 -0.015 0.000 1.020 365 V CA -2.753 59.528 62.300 -0.031 0.000 0.848 365 V CB 1.370 33.160 31.823 -0.054 0.000 0.990 365 V HN 0.539 nan 8.190 nan 0.000 0.430 366 P HA 0.174 nan 4.420 nan 0.000 0.269 366 P C -0.714 176.587 177.300 0.003 0.000 1.217 366 P CA -0.101 62.998 63.100 -0.000 0.000 0.783 366 P CB 0.434 32.136 31.700 0.003 0.000 0.898 367 L N 2.853 124.080 121.223 0.007 0.000 2.387 367 L HA 0.364 4.708 4.340 0.006 0.000 0.259 367 L C 0.704 177.581 176.870 0.012 0.000 1.050 367 L CA 0.163 55.010 54.840 0.012 0.000 0.922 367 L CB 0.237 42.306 42.059 0.016 0.000 1.280 367 L HN 0.147 nan 8.230 nan 0.000 0.449 368 R N 2.644 123.152 120.500 0.013 0.000 2.146 368 R HA 0.464 4.808 4.340 0.006 0.000 0.206 368 R C 0.984 177.294 176.300 0.017 0.000 1.049 368 R CA 0.593 56.701 56.100 0.013 0.000 1.029 368 R CB -0.074 30.234 30.300 0.013 0.000 0.949 368 R HN 0.681 nan 8.270 nan 0.000 0.471 369 A N 1.530 124.363 122.820 0.022 0.000 2.586 369 A HA 0.110 4.434 4.320 0.006 0.000 0.231 369 A C 0.348 177.954 177.584 0.036 0.000 1.055 369 A CA 0.255 52.309 52.037 0.030 0.000 0.756 369 A CB -0.031 18.986 19.000 0.028 0.000 0.988 369 A HN 0.441 nan 8.150 nan 0.000 0.509 370 S N 0.628 116.363 115.700 0.059 0.000 2.600 370 S HA 0.519 4.992 4.470 0.006 0.000 0.265 370 S C -0.085 174.556 174.600 0.067 0.000 1.325 370 S CA -0.434 57.794 58.200 0.048 0.000 1.002 370 S CB 0.911 64.195 63.200 0.141 0.000 0.921 370 S HN 1.012 nan 8.310 nan 0.000 0.554 371 V N 2.434 122.305 119.914 -0.072 0.000 2.789 371 V HA 0.563 4.687 4.120 0.006 0.000 0.311 371 V C -0.625 175.361 176.094 -0.180 0.000 1.073 371 V CA -0.674 61.645 62.300 0.032 0.000 0.921 371 V CB 1.788 33.661 31.823 0.084 0.000 1.009 371 V HN 1.028 nan 8.190 nan 0.000 0.426 372 H N 1.250 120.405 119.070 0.143 0.000 2.996 372 H HA 0.532 5.092 4.556 0.006 0.000 0.368 372 H C -1.281 174.197 175.328 0.251 0.000 1.185 372 H CA -0.636 55.506 56.048 0.156 0.000 1.160 372 H CB 2.663 32.498 29.762 0.122 0.000 1.820 372 H HN 0.543 nan 8.280 nan 0.000 0.547 373 T N 3.316 118.060 114.554 0.316 0.000 2.864 373 T HA 0.273 4.627 4.350 0.006 0.000 0.299 373 T C 0.352 175.176 174.700 0.207 0.000 1.011 373 T CA -0.661 61.608 62.100 0.281 0.000 0.975 373 T CB 0.471 69.436 68.868 0.161 0.000 0.962 373 T HN 0.298 nan 8.240 nan 0.000 0.448 374 L N 3.008 124.362 121.223 0.218 0.000 2.589 374 L HA 0.353 4.696 4.340 0.006 0.000 0.244 374 L C 1.839 178.761 176.870 0.087 0.000 1.159 374 L CA -0.621 54.277 54.840 0.097 0.000 1.074 374 L CB 0.213 42.290 42.059 0.030 0.000 1.391 374 L HN 0.883 nan 8.230 nan 0.000 0.423 375 G N 0.723 109.581 108.800 0.097 0.000 2.516 375 G HA2 -0.216 3.747 3.960 0.006 0.000 0.221 375 G HA3 -0.216 3.747 3.960 0.006 0.000 0.221 375 G C 1.409 176.299 174.900 -0.016 0.000 1.107 375 G CA 0.758 45.919 45.100 0.102 0.000 0.747 375 G HN 0.683 nan 8.290 nan 0.000 0.567 376 G N -0.085 108.680 108.800 -0.058 0.000 2.559 376 G HA2 -0.062 3.902 3.960 0.006 0.000 0.216 376 G HA3 -0.062 3.902 3.960 0.006 0.000 0.216 376 G C 1.213 176.094 174.900 -0.033 0.000 1.126 376 G CA -0.110 44.936 45.100 -0.090 0.000 0.778 376 G HN 0.487 nan 8.290 nan 0.000 0.543 377 F N 0.936 120.879 119.950 -0.011 0.000 2.797 377 F HA 0.234 4.765 4.527 0.006 0.000 0.302 377 F C 1.765 177.508 175.800 -0.096 0.000 1.130 377 F CA -0.602 57.393 58.000 -0.007 0.000 1.387 377 F CB 0.408 39.401 39.000 -0.011 0.000 1.107 377 F HN 0.039 nan 8.300 nan 0.000 0.577 378 S N 0.356 116.010 115.700 -0.077 0.000 2.558 378 S HA 0.083 4.557 4.470 0.006 0.000 0.288 378 S C 1.263 175.777 174.600 -0.143 0.000 1.318 378 S CA 0.168 58.249 58.200 -0.199 0.000 1.056 378 S CB 1.079 63.820 63.200 -0.765 0.000 0.853 378 S HN 0.399 nan 8.310 nan 0.000 0.505 379 G N 2.629 111.432 108.800 0.005 0.000 3.141 379 G HA2 0.504 4.468 3.960 0.006 0.000 0.218 379 G HA3 0.504 4.468 3.960 0.006 0.000 0.218 379 G C 0.154 175.127 174.900 0.122 0.000 1.170 379 G CA 0.295 45.415 45.100 0.032 0.000 0.769 379 G HN 0.979 nan 8.290 nan 0.000 0.546 380 A N 0.069 122.935 122.820 0.076 0.000 2.340 380 A HA 0.817 5.141 4.320 0.006 0.000 0.331 380 A C 0.369 178.003 177.584 0.084 0.000 1.140 380 A CA -0.152 51.944 52.037 0.098 0.000 0.801 380 A CB 1.145 20.266 19.000 0.201 0.000 1.234 380 A HN 0.812 nan 8.150 nan 0.000 0.469 381 A N 1.527 124.347 122.820 -0.000 0.000 2.522 381 A HA 0.504 4.827 4.320 0.006 0.000 0.256 381 A C 0.950 178.522 177.584 -0.021 0.000 1.086 381 A CA 0.465 52.492 52.037 -0.017 0.000 0.763 381 A CB -0.557 18.376 19.000 -0.112 0.000 1.024 381 A HN 1.645 nan 8.150 nan 0.000 0.502 382 G N 0.509 109.250 108.800 -0.097 0.000 2.651 382 G HA2 0.283 4.246 3.960 0.006 0.000 0.260 382 G HA3 0.283 4.246 3.960 0.006 0.000 0.260 382 G C 0.770 175.595 174.900 -0.124 0.000 1.216 382 G CA 0.259 45.115 45.100 -0.406 0.000 0.913 382 G HN 0.926 nan 8.290 nan 0.000 0.535 383 Q N -0.384 119.367 119.800 -0.083 0.000 2.133 383 Q HA -0.228 4.115 4.340 0.006 0.000 0.208 383 Q C 1.945 177.946 176.000 0.001 0.000 0.991 383 Q CA 2.355 58.152 55.803 -0.010 0.000 0.867 383 Q CB -0.192 28.550 28.738 0.006 0.000 0.911 383 Q HN 0.771 nan 8.270 nan 0.000 0.417 384 D N -0.497 119.898 120.400 -0.008 0.000 2.178 384 D HA -0.199 4.445 4.640 0.006 0.000 0.202 384 D C 1.228 177.547 176.300 0.031 0.000 0.974 384 D CA 1.269 55.279 54.000 0.016 0.000 0.841 384 D CB -0.323 40.488 40.800 0.018 0.000 0.953 384 D HN 0.489 nan 8.370 nan 0.000 0.478 385 E N -0.367 119.847 120.200 0.023 0.000 2.112 385 E HA -0.047 4.307 4.350 0.006 0.000 0.190 385 E C 2.078 178.719 176.600 0.069 0.000 0.979 385 E CA -0.026 56.399 56.400 0.041 0.000 0.814 385 E CB 0.083 29.792 29.700 0.014 0.000 0.762 385 E HN 0.083 nan 8.360 nan 0.000 0.460 386 L N 0.832 122.081 121.223 0.043 0.000 1.989 386 L HA -0.206 4.137 4.340 0.006 0.000 0.211 386 L C 2.236 179.181 176.870 0.125 0.000 1.071 386 L CA 1.614 56.498 54.840 0.073 0.000 0.749 386 L CB -0.904 41.181 42.059 0.042 0.000 0.890 386 L HN 0.196 nan 8.230 nan 0.000 0.431 387 L N -0.913 120.359 121.223 0.081 0.000 2.079 387 L HA -0.265 4.078 4.340 0.006 0.000 0.210 387 L C 2.044 178.961 176.870 0.079 0.000 1.081 387 L CA 1.366 56.248 54.840 0.070 0.000 0.752 387 L CB -0.562 41.524 42.059 0.045 0.000 0.896 387 L HN 0.290 nan 8.230 nan 0.000 0.433 388 D N -1.543 118.915 120.400 0.096 0.000 2.149 388 D HA -0.184 4.460 4.640 0.006 0.000 0.201 388 D C 1.685 178.060 176.300 0.124 0.000 0.972 388 D CA 0.745 54.799 54.000 0.091 0.000 0.835 388 D CB -0.077 40.777 40.800 0.090 0.000 0.966 388 D HN 0.297 nan 8.370 nan 0.000 0.476 389 W N 0.518 121.796 121.300 -0.036 0.000 2.379 389 W HA -0.061 4.602 4.660 0.005 0.000 0.307 389 W C 1.556 178.032 176.519 -0.071 0.000 1.200 389 W CA 0.674 57.982 57.345 -0.061 0.000 1.297 389 W CB -0.269 29.145 29.460 -0.076 0.000 1.140 389 W HN -0.088 nan 8.180 nan 0.000 0.507 390 L N 0.747 122.060 121.223 0.149 0.000 2.201 390 L HA -0.100 4.243 4.340 0.006 0.000 0.212 390 L C 1.503 178.332 176.870 -0.069 0.000 1.105 390 L CA 1.376 56.219 54.840 0.005 0.000 0.775 390 L CB -1.851 40.265 42.059 0.094 0.000 0.913 390 L HN -0.029 nan 8.230 nan 0.000 0.440 391 Q N 0.307 120.087 119.800 -0.034 0.000 2.549 391 Q HA 0.011 4.355 4.340 0.006 0.000 0.347 391 Q C 1.311 177.263 176.000 -0.081 0.000 1.081 391 Q CA 1.363 57.141 55.803 -0.041 0.000 1.093 391 Q CB 0.044 28.770 28.738 -0.021 0.000 1.067 391 Q HN 0.568 nan 8.270 nan 0.000 0.398 392 G N 4.179 112.941 108.800 -0.063 0.000 2.358 392 G HA2 -0.209 3.755 3.960 0.006 0.000 0.224 392 G HA3 -0.209 3.755 3.960 0.006 0.000 0.224 392 G C -0.252 174.601 174.900 -0.078 0.000 1.073 392 G CA 0.106 45.163 45.100 -0.070 0.000 0.635 392 G HN 0.599 nan 8.290 nan 0.000 0.509 393 E N 2.171 122.309 120.200 -0.103 0.000 2.376 393 E HA 0.232 4.585 4.350 0.006 0.000 0.266 393 E C -0.912 175.653 176.600 -0.059 0.000 1.009 393 E CA -0.853 55.489 56.400 -0.097 0.000 0.902 393 E CB 1.522 31.145 29.700 -0.128 0.000 0.972 393 E HN 0.371 nan 8.360 nan 0.000 0.439 394 P HA -0.087 nan 4.420 nan 0.000 0.217 394 P C -0.028 177.256 177.300 -0.027 0.000 1.154 394 P CA 1.089 64.169 63.100 -0.033 0.000 0.841 394 P CB 0.641 32.323 31.700 -0.029 0.000 0.788 395 R N -0.394 120.089 120.500 -0.028 0.000 2.637 395 R HA 0.658 5.001 4.340 0.006 0.000 0.291 395 R C -1.107 175.181 176.300 -0.019 0.000 0.963 395 R CA -0.823 55.264 56.100 -0.022 0.000 0.901 395 R CB 2.656 32.943 30.300 -0.021 0.000 1.160 395 R HN -0.175 nan 8.270 nan 0.000 0.457 396 V N 2.765 122.672 119.914 -0.011 0.000 2.655 396 V HA 0.244 4.367 4.120 0.006 0.000 0.301 396 V C -0.788 175.305 176.094 -0.002 0.000 1.082 396 V CA -0.868 61.432 62.300 0.001 0.000 0.899 396 V CB 2.234 34.064 31.823 0.013 0.000 1.014 396 V HN 0.472 nan 8.190 nan 0.000 0.429 397 V N 5.886 125.796 119.914 -0.007 0.000 2.347 397 V HA 0.451 4.574 4.120 0.006 0.000 0.280 397 V C -0.404 175.681 176.094 -0.016 0.000 1.021 397 V CA -0.613 61.670 62.300 -0.029 0.000 0.847 397 V CB 1.533 33.314 31.823 -0.070 0.000 0.990 397 V HN 0.564 nan 8.190 nan 0.000 0.444 398 L N 6.998 128.219 121.223 -0.004 0.000 2.281 398 L HA 0.576 4.919 4.340 0.006 0.000 0.285 398 L C 0.177 177.056 176.870 0.014 0.000 1.074 398 L CA 0.375 55.228 54.840 0.021 0.000 0.817 398 L CB 1.265 43.342 42.059 0.030 0.000 1.168 398 L HN 0.625 nan 8.230 nan 0.000 0.434 399 V N 0.236 120.180 119.914 0.050 0.000 3.155 399 V HA 0.629 4.753 4.120 0.006 0.000 0.313 399 V C -0.049 176.170 176.094 0.208 0.000 1.162 399 V CA -0.974 61.373 62.300 0.079 0.000 1.048 399 V CB 1.624 33.451 31.823 0.007 0.000 1.092 399 V HN 0.806 nan 8.190 nan 0.000 0.447 400 H N 0.140 119.266 119.070 0.094 0.000 2.983 400 H HA 0.011 4.570 4.556 0.005 0.000 0.327 400 H C -0.151 175.203 175.328 0.043 0.000 1.031 400 H CA 1.396 57.498 56.048 0.090 0.000 1.053 400 H CB -0.943 28.902 29.762 0.139 0.000 1.609 400 H HN 2.116 nan 8.280 nan 0.000 0.369 401 G N 2.704 111.566 108.800 0.102 0.000 2.328 401 G HA2 0.255 4.219 3.960 0.006 0.000 0.299 401 G HA3 0.255 4.219 3.960 0.006 0.000 0.299 401 G C -1.286 173.616 174.900 0.004 0.000 1.435 401 G CA -0.564 44.567 45.100 0.053 0.000 0.865 401 G HN 0.284 nan 8.290 nan 0.000 0.601 402 E N 0.613 120.798 120.200 -0.024 0.000 2.229 402 E HA 0.185 4.538 4.350 0.006 0.000 0.283 402 E C 0.977 177.574 176.600 -0.005 0.000 1.030 402 E CA -0.290 56.099 56.400 -0.018 0.000 0.836 402 E CB 2.470 32.153 29.700 -0.030 0.000 1.068 402 E HN 0.735 nan 8.360 nan 0.000 0.401 403 E N 3.140 123.342 120.200 0.003 0.000 2.217 403 E HA -0.388 3.965 4.350 0.006 0.000 0.219 403 E C 0.846 177.448 176.600 0.004 0.000 1.070 403 E CA 2.306 58.709 56.400 0.006 0.000 0.889 403 E CB 0.191 29.895 29.700 0.006 0.000 0.768 403 E HN 0.508 nan 8.360 nan 0.000 0.465 404 E N 0.722 120.922 120.200 0.001 0.000 2.038 404 E HA -0.202 4.151 4.350 0.006 0.000 0.195 404 E C 2.118 178.717 176.600 -0.001 0.000 1.000 404 E CA 1.760 58.160 56.400 0.001 0.000 0.803 404 E CB -0.148 29.552 29.700 0.001 0.000 0.750 404 E HN 0.274 nan 8.360 nan 0.000 0.448 405 K N 0.233 120.627 120.400 -0.010 0.000 2.002 405 K HA -0.109 4.215 4.320 0.006 0.000 0.209 405 K C 2.066 178.668 176.600 0.003 0.000 1.048 405 K CA 0.851 57.130 56.287 -0.013 0.000 0.930 405 K CB -0.580 31.893 32.500 -0.045 0.000 0.714 405 K HN 0.104 nan 8.250 nan 0.000 0.438 406 L N 1.107 122.334 121.223 0.008 0.000 2.012 406 L HA -0.169 4.175 4.340 0.006 0.000 0.210 406 L C 2.497 179.376 176.870 0.015 0.000 1.073 406 L CA 1.283 56.134 54.840 0.019 0.000 0.748 406 L CB -1.399 40.673 42.059 0.022 0.000 0.891 406 L HN 0.065 nan 8.230 nan 0.000 0.431 407 L N -0.269 120.960 121.223 0.011 0.000 1.970 407 L HA -0.199 4.145 4.340 0.006 0.000 0.212 407 L C 2.673 179.549 176.870 0.011 0.000 1.071 407 L CA 2.186 57.032 54.840 0.009 0.000 0.751 407 L CB -1.333 40.730 42.059 0.007 0.000 0.889 407 L HN 0.274 nan 8.230 nan 0.000 0.432 408 A N -0.983 121.843 122.820 0.011 0.000 1.940 408 A HA -0.281 4.043 4.320 0.006 0.000 0.221 408 A C 2.400 179.994 177.584 0.016 0.000 1.190 408 A CA 2.364 54.409 52.037 0.013 0.000 0.647 408 A CB -1.025 17.983 19.000 0.013 0.000 0.821 408 A HN 0.466 nan 8.150 nan 0.000 0.457 409 L N -1.023 120.211 121.223 0.019 0.000 2.027 409 L HA -0.093 4.250 4.340 0.006 0.000 0.206 409 L C 2.653 179.535 176.870 0.021 0.000 1.074 409 L CA 1.510 56.364 54.840 0.024 0.000 0.745 409 L CB -0.862 41.215 42.059 0.030 0.000 0.898 409 L HN 0.480 nan 8.230 nan 0.000 0.433 410 G N -0.130 108.681 108.800 0.018 0.000 2.476 410 G HA2 -0.375 3.588 3.960 0.006 0.000 0.218 410 G HA3 -0.375 3.588 3.960 0.006 0.000 0.218 410 G C 1.612 176.518 174.900 0.011 0.000 1.164 410 G CA 1.131 46.239 45.100 0.014 0.000 0.768 410 G HN 0.349 nan 8.290 nan 0.000 0.560 411 K N -0.035 120.371 120.400 0.010 0.000 2.034 411 K HA -0.084 4.239 4.320 0.006 0.000 0.214 411 K C 2.566 179.172 176.600 0.010 0.000 1.051 411 K CA 1.403 57.695 56.287 0.009 0.000 0.931 411 K CB -0.326 32.180 32.500 0.009 0.000 0.715 411 K HN 0.366 nan 8.250 nan 0.000 0.446 412 L N 0.749 121.980 121.223 0.013 0.000 2.046 412 L HA -0.206 4.138 4.340 0.006 0.000 0.208 412 L C 2.448 179.325 176.870 0.012 0.000 1.077 412 L CA 1.036 55.884 54.840 0.013 0.000 0.747 412 L CB -0.410 41.659 42.059 0.017 0.000 0.896 412 L HN 0.249 nan 8.230 nan 0.000 0.432 413 L N -0.481 120.751 121.223 0.013 0.000 2.017 413 L HA -0.211 4.132 4.340 0.006 0.000 0.208 413 L C 2.906 179.780 176.870 0.005 0.000 1.073 413 L CA 1.244 56.090 54.840 0.011 0.000 0.745 413 L CB -0.759 41.308 42.059 0.014 0.000 0.894 413 L HN 0.257 nan 8.230 nan 0.000 0.432 414 A N 0.271 123.094 122.820 0.005 0.000 1.858 414 A HA -0.178 4.146 4.320 0.006 0.000 0.216 414 A C 2.188 179.773 177.584 0.002 0.000 1.190 414 A CA 1.433 53.471 52.037 0.002 0.000 0.617 414 A CB -0.886 18.116 19.000 0.002 0.000 0.827 414 A HN 0.360 nan 8.150 nan 0.000 0.443 415 L N -1.210 120.015 121.223 0.004 0.000 2.349 415 L HA -0.145 4.198 4.340 0.006 0.000 0.220 415 L C 2.642 179.514 176.870 0.003 0.000 1.130 415 L CA 1.384 56.226 54.840 0.003 0.000 0.791 415 L CB -0.325 41.737 42.059 0.005 0.000 0.918 415 L HN 0.417 nan 8.230 nan 0.000 0.444 416 R N -0.165 120.336 120.500 0.003 0.000 2.276 416 R HA 0.049 4.393 4.340 0.006 0.000 0.196 416 R C 1.148 177.446 176.300 -0.002 0.000 0.961 416 R CA 0.735 56.836 56.100 0.001 0.000 1.024 416 R CB 0.329 30.631 30.300 0.003 0.000 0.940 416 R HN 0.323 nan 8.270 nan 0.000 0.480 417 G N 0.399 109.198 108.800 -0.003 0.000 2.138 417 G HA2 -0.221 3.742 3.960 0.006 0.000 0.193 417 G HA3 -0.221 3.742 3.960 0.006 0.000 0.193 417 G C -0.495 174.400 174.900 -0.008 0.000 0.998 417 G CA -0.365 44.732 45.100 -0.005 0.000 0.668 417 G HN 0.362 nan 8.290 nan 0.000 0.516 418 Q N 0.491 120.287 119.800 -0.007 0.000 2.290 418 Q HA 0.417 4.760 4.340 0.006 0.000 0.259 418 Q C -0.237 175.758 176.000 -0.008 0.000 0.941 418 Q CA -0.492 55.306 55.803 -0.009 0.000 0.912 418 Q CB 1.369 30.102 28.738 -0.008 0.000 1.244 418 Q HN 0.526 nan 8.270 nan 0.000 0.441 419 E N 1.770 121.964 120.200 -0.011 0.000 2.328 419 E HA 0.165 4.518 4.350 0.006 0.000 0.265 419 E C -0.906 175.688 176.600 -0.010 0.000 1.057 419 E CA -0.002 56.391 56.400 -0.011 0.000 0.916 419 E CB 1.008 30.700 29.700 -0.013 0.000 0.993 419 E HN 0.165 nan 8.360 nan 0.000 0.446 420 V N 2.499 122.409 119.914 -0.007 0.000 2.925 420 V HA 0.629 4.753 4.120 0.006 0.000 0.311 420 V C -0.844 175.245 176.094 -0.008 0.000 1.104 420 V CA -0.330 61.967 62.300 -0.006 0.000 0.954 420 V CB 2.367 34.191 31.823 0.002 0.000 1.022 420 V HN 0.663 nan 8.190 nan 0.000 0.427 421 S N 4.297 119.990 115.700 -0.011 0.000 2.732 421 S HA 0.794 5.267 4.470 0.006 0.000 0.293 421 S C -1.755 172.836 174.600 -0.014 0.000 1.159 421 S CA -0.609 57.582 58.200 -0.015 0.000 0.847 421 S CB 1.801 64.986 63.200 -0.025 0.000 1.169 421 S HN 0.738 nan 8.310 nan 0.000 0.501 422 L N 2.614 123.827 121.223 -0.016 0.000 2.445 422 L HA 0.634 4.978 4.340 0.006 0.000 0.252 422 L C 0.469 177.324 176.870 -0.025 0.000 1.105 422 L CA -0.017 54.815 54.840 -0.013 0.000 0.943 422 L CB 0.430 42.488 42.059 -0.002 0.000 1.277 422 L HN 0.906 nan 8.230 nan 0.000 0.465 423 A N 3.275 126.064 122.820 -0.051 0.000 2.583 423 A HA -0.070 4.253 4.320 0.006 0.000 0.254 423 A C 0.499 178.051 177.584 -0.054 0.000 0.960 423 A CA 0.853 52.839 52.037 -0.085 0.000 0.904 423 A CB -0.151 18.764 19.000 -0.141 0.000 0.827 423 A HN 0.671 nan 8.150 nan 0.000 0.450 424 R N 0.980 121.441 120.500 -0.064 0.000 2.668 424 R HA 0.448 4.791 4.340 0.006 0.000 0.279 424 R C -0.418 175.860 176.300 -0.036 0.000 0.976 424 R CA -0.754 55.339 56.100 -0.012 0.000 0.978 424 R CB 1.160 31.457 30.300 -0.004 0.000 1.133 424 R HN 0.676 nan 8.270 nan 0.000 0.484 425 F N 1.870 121.785 119.950 -0.057 0.000 2.571 425 F HA 0.057 4.587 4.527 0.005 0.000 0.390 425 F C 1.290 177.013 175.800 -0.128 0.000 1.043 425 F CA 1.667 59.632 58.000 -0.059 0.000 1.164 425 F CB 0.320 39.330 39.000 0.016 0.000 1.049 425 F HN 0.883 nan 8.300 nan 0.000 0.552 426 G N 4.415 112.645 108.800 -0.950 0.000 2.249 426 G HA2 -0.318 3.645 3.960 0.006 0.000 0.273 426 G HA3 -0.318 3.645 3.960 0.006 0.000 0.273 426 G C 0.031 174.694 174.900 -0.394 0.000 1.036 426 G CA 0.295 44.889 45.100 -0.843 0.000 0.824 426 G HN 0.726 nan 8.290 nan 0.000 0.504 427 E N 0.456 120.451 120.200 -0.342 0.000 3.406 427 E HA 0.439 4.793 4.350 0.006 0.000 0.210 427 E C 1.189 177.672 176.600 -0.194 0.000 1.167 427 E CA -0.320 55.967 56.400 -0.188 0.000 1.132 427 E CB 0.407 30.043 29.700 -0.106 0.000 1.309 427 E HN 0.558 nan 8.360 nan 0.000 0.424 428 G N 0.877 109.547 108.800 -0.217 0.000 2.351 428 G HA2 -0.051 3.912 3.960 0.006 0.000 0.231 428 G HA3 -0.051 3.912 3.960 0.006 0.000 0.231 428 G C 0.244 175.072 174.900 -0.120 0.000 1.163 428 G CA -0.085 44.911 45.100 -0.173 0.000 0.861 428 G HN 0.207 nan 8.290 nan 0.000 0.500 429 V N 5.503 125.349 119.914 -0.114 0.000 2.630 429 V HA 0.425 4.549 4.120 0.006 0.000 0.305 429 V C -1.690 174.367 176.094 -0.061 0.000 1.046 429 V CA -1.548 60.702 62.300 -0.083 0.000 0.934 429 V CB 2.196 33.966 31.823 -0.087 0.000 1.003 429 V HN 0.742 nan 8.190 nan 0.000 0.451 430 P HA 0.172 nan 4.420 nan 0.000 0.276 430 P C -0.196 177.087 177.300 -0.029 0.000 1.253 430 P CA 0.232 63.312 63.100 -0.033 0.000 0.766 430 P CB 1.059 32.743 31.700 -0.027 0.000 0.845 431 V N 0.000 119.900 119.914 -0.024 0.000 2.409 431 V HA 0.000 4.123 4.120 0.006 0.000 0.244 431 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 431 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556