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 2dw7_1_F DATA FIRST_RESID 2 DATA SEQUENCE SVRIVDVREI TKPISSPIRN AYIDFTKMTT SLVAVVTDVV REGKRVVGYG DATA SEQUENCE FNSNGRYGQG GLIRERFASR ILEADPKKLL NEAGDNLDPD KVWAAMMINE DATA SEQUENCE KPGGHGERSV AVGTIDMAVW DAVAKIAGKP LFRLLAERHG VKANPRVFVY DATA SEQUENCE AAGGYYYPGK GLSMLRGEMR GYLDRGYNVV KMKIGGAPIE EDRMRIEAVL DATA SEQUENCE EEIGKDAQLA VDANGRFNLE TGIAYAKMLR DYPLFWYEEV GDPLDYALQA DATA SEQUENCE ALAEFYPGPM ATGENLFSHQ DARNLLRYGG MRPDRDWLQF DCALSYGLCE DATA SEQUENCE YQRTLEVLKT HGWSPSRCIP HGGHQMSLNI AAGLGLGGNE SYPDLFQPYG DATA SEQUENCE GFPDGVRVEN GHITMPDLPG IGFEGKSDLY KEMKALAE 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.597 174.600 -0.005 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 3 V N 5.898 125.807 119.914 -0.008 0.000 2.380 3 V HA 0.760 4.880 4.120 -0.000 0.000 0.286 3 V C -0.123 175.964 176.094 -0.012 0.000 1.015 3 V CA -0.601 61.693 62.300 -0.011 0.000 0.834 3 V CB 1.394 33.207 31.823 -0.016 0.000 1.009 3 V HN 0.793 nan 8.190 nan 0.000 0.428 4 R N 4.480 124.974 120.500 -0.010 0.000 2.522 4 R HA 0.482 4.821 4.340 -0.000 0.000 0.283 4 R C -0.987 175.308 176.300 -0.009 0.000 1.074 4 R CA -0.669 55.426 56.100 -0.009 0.000 0.925 4 R CB 2.003 32.300 30.300 -0.005 0.000 1.205 4 R HN 0.710 nan 8.270 nan 0.000 0.436 5 I N 5.463 126.027 120.570 -0.010 0.000 2.501 5 I HA -0.048 4.122 4.170 -0.000 0.000 0.305 5 I C 1.805 177.920 176.117 -0.003 0.000 1.197 5 I CA -0.060 61.235 61.300 -0.009 0.000 1.793 5 I CB 0.480 38.475 38.000 -0.007 0.000 1.521 5 I HN 0.347 nan 8.210 nan 0.000 0.843 6 V N 3.055 122.967 119.914 -0.003 0.000 2.546 6 V HA -0.224 3.895 4.120 -0.000 0.000 0.254 6 V C 0.759 176.856 176.094 0.004 0.000 1.076 6 V CA 1.765 64.066 62.300 0.001 0.000 1.087 6 V CB -0.691 31.134 31.823 0.003 0.000 0.674 6 V HN 0.778 nan 8.190 nan 0.000 0.470 7 D N -2.893 117.510 120.400 0.004 0.000 2.653 7 D HA 0.379 5.019 4.640 -0.000 0.000 0.258 7 D C -1.416 174.890 176.300 0.011 0.000 1.252 7 D CA -0.259 53.746 54.000 0.009 0.000 0.777 7 D CB 2.443 43.250 40.800 0.013 0.000 1.339 7 D HN -0.230 nan 8.370 nan 0.000 0.422 8 V N 2.785 122.710 119.914 0.019 0.000 2.558 8 V HA 0.351 4.471 4.120 -0.000 0.000 0.261 8 V C -0.023 176.092 176.094 0.035 0.000 0.958 8 V CA -0.632 61.685 62.300 0.028 0.000 0.852 8 V CB 0.843 32.686 31.823 0.033 0.000 1.067 8 V HN 0.373 nan 8.190 nan 0.000 0.468 9 R N 2.059 122.584 120.500 0.041 0.000 2.531 9 R HA 0.667 5.007 4.340 -0.000 0.000 0.273 9 R C -0.254 176.079 176.300 0.056 0.000 1.070 9 R CA -0.482 55.646 56.100 0.046 0.000 1.112 9 R CB 1.584 31.915 30.300 0.051 0.000 1.049 9 R HN 0.526 nan 8.270 nan 0.000 0.508 10 E N 1.856 122.083 120.200 0.045 0.000 2.367 10 E HA 0.436 4.786 4.350 -0.000 0.000 0.273 10 E C -1.685 174.932 176.600 0.027 0.000 0.903 10 E CA -1.047 55.378 56.400 0.041 0.000 0.764 10 E CB 2.211 31.932 29.700 0.034 0.000 1.252 10 E HN 0.383 nan 8.360 nan 0.000 0.446 11 I N 1.169 121.749 120.570 0.017 0.000 2.649 11 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 11 I C -1.382 174.722 176.117 -0.023 0.000 1.222 11 I CA -0.009 61.292 61.300 0.001 0.000 1.046 11 I CB 2.167 40.171 38.000 0.006 0.000 1.272 11 I HN 0.323 nan 8.210 nan 0.000 0.425 12 T N 7.139 121.678 114.554 -0.025 0.000 2.743 12 T HA 0.480 4.830 4.350 -0.000 0.000 0.293 12 T C -0.272 174.397 174.700 -0.051 0.000 0.945 12 T CA -0.602 61.473 62.100 -0.042 0.000 1.030 12 T CB 0.436 69.290 68.868 -0.022 0.000 0.912 12 T HN 0.344 nan 8.240 nan 0.000 0.483 13 K N 4.201 124.540 120.400 -0.102 0.000 2.208 13 K HA 0.542 4.862 4.320 -0.000 0.000 0.247 13 K C -2.607 173.949 176.600 -0.074 0.000 0.953 13 K CA -2.339 53.895 56.287 -0.087 0.000 0.837 13 K CB 1.979 34.388 32.500 -0.151 0.000 1.131 13 K HN 0.317 nan 8.250 nan 0.000 0.431 14 P HA 0.463 nan 4.420 nan 0.000 0.287 14 P C -0.218 177.114 177.300 0.053 0.000 1.270 14 P CA -0.660 62.452 63.100 0.021 0.000 0.844 14 P CB 0.838 32.561 31.700 0.038 0.000 1.068 15 I N -2.020 118.599 120.570 0.082 0.000 2.814 15 I HA 0.277 4.447 4.170 -0.000 0.000 0.329 15 I C -0.597 175.647 176.117 0.212 0.000 1.451 15 I CA -0.510 60.891 61.300 0.170 0.000 0.830 15 I CB 0.358 38.477 38.000 0.198 0.000 1.945 15 I HN -0.068 nan 8.210 nan 0.000 0.572 16 S N 1.700 117.487 115.700 0.146 0.000 2.578 16 S HA 0.869 5.339 4.470 -0.000 0.000 0.283 16 S C 0.173 174.844 174.600 0.120 0.000 1.195 16 S CA -0.455 57.837 58.200 0.154 0.000 1.050 16 S CB 1.720 64.989 63.200 0.115 0.000 1.012 16 S HN 0.709 nan 8.310 nan 0.000 0.511 17 S N 0.054 115.835 115.700 0.136 0.000 2.595 17 S HA 0.457 4.927 4.470 -0.000 0.000 0.270 17 S C -3.191 171.485 174.600 0.126 0.000 1.145 17 S CA -1.144 57.120 58.200 0.106 0.000 0.825 17 S CB 1.220 64.442 63.200 0.038 0.000 1.107 17 S HN 0.439 nan 8.310 nan 0.000 0.461 18 P HA 0.242 nan 4.420 nan 0.000 0.253 18 P C 0.363 177.665 177.300 0.005 0.000 1.508 18 P CA -0.202 62.887 63.100 -0.020 0.000 0.883 18 P CB -0.873 30.688 31.700 -0.232 0.000 1.519 19 I N -2.031 118.619 120.570 0.134 0.000 2.588 19 I HA 0.289 4.459 4.170 -0.000 0.000 0.283 19 I C 0.193 176.453 176.117 0.239 0.000 1.119 19 I CA -0.491 60.892 61.300 0.138 0.000 1.419 19 I CB 0.593 38.377 38.000 -0.359 0.000 1.394 19 I HN -0.162 nan 8.210 nan 0.000 0.562 20 R N 4.885 125.621 120.500 0.393 0.000 2.599 20 R HA 0.461 4.801 4.340 -0.000 0.000 0.295 20 R C -0.951 175.739 176.300 0.648 0.000 0.963 20 R CA -0.611 55.770 56.100 0.468 0.000 0.883 20 R CB 1.536 32.019 30.300 0.305 0.000 1.171 20 R HN 0.995 nan 8.270 nan 0.000 0.450 21 N N 2.265 121.318 118.700 0.590 0.000 2.989 21 N HA 0.322 5.061 4.740 -0.000 0.000 0.338 21 N C 0.105 175.838 175.510 0.372 0.000 1.369 21 N CA -0.413 52.946 53.050 0.514 0.000 0.794 21 N CB 0.809 39.565 38.487 0.448 0.000 1.359 21 N HN 0.455 nan 8.380 nan 0.000 0.609 22 A N -2.209 120.788 122.820 0.294 0.000 2.235 22 A HA 0.054 4.374 4.320 -0.000 0.000 0.208 22 A C 0.784 178.470 177.584 0.171 0.000 1.172 22 A CA 0.688 52.834 52.037 0.181 0.000 0.786 22 A CB -1.051 18.022 19.000 0.122 0.000 0.804 22 A HN 0.704 nan 8.150 nan 0.000 0.479 23 Y N -2.444 117.915 120.300 0.098 0.000 2.652 23 Y HA 0.491 5.041 4.550 -0.000 0.000 0.274 23 Y C 0.100 176.050 175.900 0.082 0.000 1.148 23 Y CA -0.220 57.921 58.100 0.069 0.000 1.219 23 Y CB 0.810 39.298 38.460 0.046 0.000 1.337 23 Y HN 0.168 nan 8.280 nan 0.000 0.490 24 I N 0.025 120.781 120.570 0.311 0.000 3.174 24 I HA 0.274 4.444 4.170 -0.000 0.000 0.313 24 I C -1.503 174.776 176.117 0.270 0.000 1.155 24 I CA -0.826 60.605 61.300 0.218 0.000 0.977 24 I CB 2.026 40.097 38.000 0.120 0.000 1.248 24 I HN 0.141 nan 8.210 nan 0.000 0.453 25 D N 0.573 121.091 120.400 0.196 0.000 2.671 25 D HA 0.351 4.991 4.640 -0.000 0.000 0.232 25 D C -0.780 175.660 176.300 0.234 0.000 1.114 25 D CA -0.348 53.835 54.000 0.304 0.000 0.858 25 D CB 0.878 41.792 40.800 0.190 0.000 1.544 25 D HN 0.186 nan 8.370 nan 0.000 0.471 26 F N 0.937 120.926 119.950 0.065 0.000 2.701 26 F HA 0.208 4.735 4.527 -0.000 0.000 0.295 26 F C 2.086 177.916 175.800 0.051 0.000 1.165 26 F CA -0.340 57.684 58.000 0.039 0.000 1.399 26 F CB -0.410 38.609 39.000 0.030 0.000 0.996 26 F HN 0.394 nan 8.300 nan 0.000 0.513 27 T N -0.148 114.512 114.554 0.177 0.000 2.685 27 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 27 T C 1.827 176.597 174.700 0.116 0.000 1.034 27 T CA 1.561 63.734 62.100 0.121 0.000 1.149 27 T CB -0.017 68.901 68.868 0.084 0.000 0.860 27 T HN 0.068 nan 8.240 nan 0.000 0.449 28 K N -0.103 120.380 120.400 0.138 0.000 2.438 28 K HA 0.331 4.651 4.320 -0.000 0.000 0.205 28 K C 0.102 176.843 176.600 0.235 0.000 1.033 28 K CA -0.328 56.057 56.287 0.163 0.000 1.089 28 K CB 0.175 32.763 32.500 0.146 0.000 0.857 28 K HN 0.280 nan 8.250 nan 0.000 0.522 29 M N 2.334 122.009 119.600 0.126 0.000 2.251 29 M HA -0.032 4.448 4.480 -0.000 0.000 0.343 29 M C 0.270 176.591 176.300 0.035 0.000 1.245 29 M CA 0.669 55.943 55.300 -0.044 0.000 1.061 29 M CB 0.207 32.768 32.600 -0.064 0.000 1.723 29 M HN 0.328 nan 8.290 nan 0.000 0.449 30 T N 0.766 115.319 114.554 -0.002 0.000 2.804 30 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 30 T C -0.491 174.158 174.700 -0.084 0.000 1.099 30 T CA -0.770 61.330 62.100 -0.000 0.000 1.011 30 T CB 1.809 70.718 68.868 0.068 0.000 1.291 30 T HN 0.749 nan 8.240 nan 0.000 0.523 31 T N -0.391 114.090 114.554 -0.122 0.000 2.885 31 T HA 0.581 4.931 4.350 -0.000 0.000 0.322 31 T C -1.422 173.183 174.700 -0.160 0.000 1.387 31 T CA -0.536 61.467 62.100 -0.162 0.000 1.041 31 T CB 1.703 70.408 68.868 -0.272 0.000 1.287 31 T HN 0.742 nan 8.240 nan 0.000 0.491 32 S N 2.372 118.016 115.700 -0.095 0.000 2.480 32 S HA 0.645 5.115 4.470 -0.000 0.000 0.286 32 S C -0.766 173.814 174.600 -0.033 0.000 1.180 32 S CA -0.586 57.580 58.200 -0.058 0.000 1.075 32 S CB 0.879 64.069 63.200 -0.017 0.000 0.996 32 S HN 0.625 nan 8.310 nan 0.000 0.487 33 L N 5.782 126.982 121.223 -0.038 0.000 2.287 33 L HA 0.646 4.985 4.340 -0.000 0.000 0.287 33 L C -0.935 175.986 176.870 0.084 0.000 1.022 33 L CA -0.182 54.676 54.840 0.031 0.000 0.814 33 L CB 0.995 43.045 42.059 -0.015 0.000 1.217 33 L HN 0.416 nan 8.230 nan 0.000 0.420 34 V N 4.187 124.184 119.914 0.138 0.000 2.715 34 V HA 0.918 5.037 4.120 -0.000 0.000 0.310 34 V C -0.169 176.048 176.094 0.206 0.000 1.054 34 V CA -0.435 61.947 62.300 0.136 0.000 0.928 34 V CB 1.675 33.557 31.823 0.098 0.000 1.007 34 V HN 0.936 nan 8.190 nan 0.000 0.437 35 A N 3.274 126.185 122.820 0.151 0.000 2.359 35 A HA 0.791 5.111 4.320 -0.000 0.000 0.303 35 A C -1.138 176.447 177.584 0.002 0.000 1.066 35 A CA -0.477 51.615 52.037 0.093 0.000 0.730 35 A CB 1.756 20.864 19.000 0.180 0.000 1.211 35 A HN 0.631 nan 8.150 nan 0.000 0.439 36 V N 3.890 123.762 119.914 -0.070 0.000 2.294 36 V HA 0.244 4.364 4.120 -0.000 0.000 0.272 36 V C -0.102 175.945 176.094 -0.078 0.000 1.027 36 V CA -0.396 61.878 62.300 -0.043 0.000 0.823 36 V CB 1.105 32.915 31.823 -0.022 0.000 1.030 36 V HN 0.641 nan 8.190 nan 0.000 0.457 37 V N 5.371 125.259 119.914 -0.044 0.000 2.432 37 V HA 0.414 4.534 4.120 -0.000 0.000 0.271 37 V C 0.809 176.890 176.094 -0.022 0.000 1.046 37 V CA -0.048 62.230 62.300 -0.036 0.000 0.945 37 V CB 1.335 33.153 31.823 -0.007 0.000 0.992 37 V HN 0.973 nan 8.190 nan 0.000 0.471 38 T N 0.306 114.846 114.554 -0.022 0.000 2.919 38 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 38 T C 0.393 175.091 174.700 -0.004 0.000 1.020 38 T CA -0.198 61.894 62.100 -0.013 0.000 0.994 38 T CB 1.809 70.668 68.868 -0.017 0.000 1.180 38 T HN 0.661 nan 8.240 nan 0.000 0.566 39 D N -0.680 119.719 120.400 -0.002 0.000 2.398 39 D HA 0.133 4.773 4.640 -0.000 0.000 0.210 39 D C 0.334 176.636 176.300 0.004 0.000 1.094 39 D CA -0.272 53.730 54.000 0.003 0.000 0.839 39 D CB -0.463 40.338 40.800 0.002 0.000 0.963 39 D HN 0.347 nan 8.370 nan 0.000 0.506 40 V N 1.105 121.020 119.914 0.002 0.000 2.686 40 V HA 0.207 4.327 4.120 -0.000 0.000 0.295 40 V C 0.318 176.418 176.094 0.010 0.000 1.055 40 V CA -0.745 61.557 62.300 0.003 0.000 1.050 40 V CB 1.793 33.615 31.823 -0.001 0.000 0.984 40 V HN 0.111 nan 8.190 nan 0.000 0.482 41 V N 6.903 126.824 119.914 0.011 0.000 2.448 41 V HA 0.669 4.788 4.120 -0.000 0.000 0.295 41 V C -0.462 175.642 176.094 0.016 0.000 1.025 41 V CA -0.549 61.761 62.300 0.017 0.000 0.859 41 V CB 1.455 33.288 31.823 0.017 0.000 0.988 41 V HN 0.873 nan 8.190 nan 0.000 0.431 42 R N 5.040 125.552 120.500 0.021 0.000 2.502 42 R HA 0.475 4.815 4.340 -0.000 0.000 0.300 42 R C -0.494 175.820 176.300 0.025 0.000 0.984 42 R CA -0.440 55.672 56.100 0.020 0.000 0.882 42 R CB 1.635 31.946 30.300 0.018 0.000 1.180 42 R HN 0.858 nan 8.270 nan 0.000 0.444 43 E N 0.954 121.167 120.200 0.021 0.000 2.694 43 E HA -0.202 4.148 4.350 -0.000 0.000 0.272 43 E C 0.675 177.292 176.600 0.028 0.000 1.040 43 E CA 1.161 57.575 56.400 0.023 0.000 0.809 43 E CB -1.758 27.957 29.700 0.025 0.000 1.389 43 E HN 1.153 nan 8.360 nan 0.000 0.413 44 G N -0.120 108.696 108.800 0.026 0.000 2.175 44 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.265 44 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.265 44 G C 0.240 175.161 174.900 0.035 0.000 0.979 44 G CA 1.164 46.280 45.100 0.027 0.000 0.663 44 G HN 0.383 nan 8.290 nan 0.000 0.533 45 K N 0.343 120.767 120.400 0.041 0.000 2.324 45 K HA 0.496 4.816 4.320 -0.000 0.000 0.253 45 K C 0.909 177.539 176.600 0.050 0.000 0.932 45 K CA -1.200 55.119 56.287 0.053 0.000 0.799 45 K CB 0.958 33.501 32.500 0.071 0.000 1.154 45 K HN 0.399 nan 8.250 nan 0.000 0.425 46 R N 2.130 122.660 120.500 0.051 0.000 2.537 46 R HA 0.131 4.471 4.340 -0.000 0.000 0.280 46 R C -0.262 176.065 176.300 0.046 0.000 1.058 46 R CA -0.589 55.535 56.100 0.040 0.000 1.057 46 R CB 0.782 31.104 30.300 0.036 0.000 0.973 46 R HN 0.256 nan 8.270 nan 0.000 0.438 47 V N 4.689 124.620 119.914 0.028 0.000 2.488 47 V HA 0.284 4.404 4.120 -0.000 0.000 0.277 47 V C -0.552 175.533 176.094 -0.015 0.000 1.046 47 V CA -0.246 62.067 62.300 0.021 0.000 0.986 47 V CB 1.173 33.004 31.823 0.014 0.000 0.989 47 V HN 0.630 nan 8.190 nan 0.000 0.475 48 V N 6.497 126.381 119.914 -0.050 0.000 2.531 48 V HA 0.691 4.811 4.120 -0.000 0.000 0.301 48 V C 0.662 176.517 176.094 -0.399 0.000 1.034 48 V CA -0.058 62.112 62.300 -0.217 0.000 0.865 48 V CB 1.598 33.268 31.823 -0.255 0.000 0.995 48 V HN 1.063 nan 8.190 nan 0.000 0.424 49 G N 2.913 111.514 108.800 -0.332 0.000 2.377 49 G HA2 0.603 4.563 3.960 -0.000 0.000 0.299 49 G HA3 0.603 4.563 3.960 -0.000 0.000 0.299 49 G C -1.488 173.215 174.900 -0.328 0.000 1.150 49 G CA -0.098 44.880 45.100 -0.204 0.000 0.847 49 G HN 0.463 nan 8.290 nan 0.000 0.501 50 Y N -0.280 120.192 120.300 0.288 0.000 2.598 50 Y HA 0.780 5.330 4.550 -0.000 0.000 0.340 50 Y C 0.688 176.761 175.900 0.289 0.000 1.038 50 Y CA -0.416 57.836 58.100 0.254 0.000 1.100 50 Y CB 2.809 41.410 38.460 0.234 0.000 1.281 50 Y HN 0.914 nan 8.280 nan 0.000 0.488 51 G N 0.636 109.633 108.800 0.329 0.000 2.547 51 G HA2 0.589 4.549 3.960 -0.000 0.000 0.291 51 G HA3 0.589 4.549 3.960 -0.000 0.000 0.291 51 G C -2.155 172.827 174.900 0.137 0.000 1.471 51 G CA -0.865 44.326 45.100 0.152 0.000 0.798 51 G HN 0.667 nan 8.290 nan 0.000 0.504 52 F N -0.744 119.190 119.950 -0.026 0.000 2.693 52 F HA 0.663 5.190 4.527 -0.000 0.000 0.309 52 F C -0.689 175.038 175.800 -0.121 0.000 1.129 52 F CA -1.631 56.311 58.000 -0.096 0.000 0.948 52 F CB 1.293 40.206 39.000 -0.145 0.000 1.315 52 F HN 0.615 nan 8.300 nan 0.000 0.447 53 N N 1.137 119.885 118.700 0.081 0.000 2.509 53 N HA 0.334 5.074 4.740 -0.000 0.000 0.287 53 N C -0.621 174.951 175.510 0.104 0.000 1.121 53 N CA -0.414 52.628 53.050 -0.012 0.000 0.977 53 N CB 1.727 40.184 38.487 -0.050 0.000 1.167 53 N HN 0.704 nan 8.380 nan 0.000 0.476 54 S N 0.823 116.584 115.700 0.101 0.000 2.572 54 S HA -0.018 4.452 4.470 -0.000 0.000 0.267 54 S C 0.709 175.319 174.600 0.017 0.000 1.361 54 S CA -0.692 57.621 58.200 0.189 0.000 1.009 54 S CB 0.002 63.413 63.200 0.352 0.000 0.888 54 S HN 0.802 nan 8.310 nan 0.000 0.553 55 N N 0.066 118.668 118.700 -0.163 0.000 2.444 55 N HA 0.289 5.028 4.740 -0.000 0.000 0.255 55 N C 0.940 176.374 175.510 -0.127 0.000 1.255 55 N CA 0.329 53.135 53.050 -0.407 0.000 0.933 55 N CB 0.502 38.231 38.487 -1.263 0.000 1.143 55 N HN 0.842 nan 8.380 nan 0.000 0.453 56 G N 0.692 109.329 108.800 -0.271 0.000 2.308 56 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 56 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 56 G C 0.840 175.507 174.900 -0.388 0.000 1.032 56 G CA -0.112 44.795 45.100 -0.322 0.000 0.623 56 G HN 0.580 nan 8.290 nan 0.000 0.506 57 R N -0.159 120.171 120.500 -0.284 0.000 2.397 57 R HA 0.490 4.830 4.340 -0.000 0.000 0.241 57 R C 0.349 176.630 176.300 -0.032 0.000 0.914 57 R CA -0.118 55.883 56.100 -0.164 0.000 1.071 57 R CB -0.404 29.786 30.300 -0.183 0.000 1.116 57 R HN 0.785 nan 8.270 nan 0.000 0.524 58 Y N -0.953 119.271 120.300 -0.127 0.000 2.507 58 Y HA -0.196 4.353 4.550 -0.000 0.000 0.021 58 Y C 1.111 176.951 175.900 -0.100 0.000 1.703 58 Y CA 0.453 58.488 58.100 -0.109 0.000 1.418 58 Y CB -1.235 37.167 38.460 -0.097 0.000 2.064 58 Y HN 0.225 nan 8.280 nan 0.000 0.254 59 G N 0.695 109.555 108.800 0.098 0.000 2.606 59 G HA2 0.443 4.403 3.960 -0.000 0.000 0.252 59 G HA3 0.443 4.403 3.960 -0.000 0.000 0.252 59 G C -0.221 174.690 174.900 0.018 0.000 1.206 59 G CA -0.543 44.569 45.100 0.019 0.000 0.861 59 G HN 0.422 nan 8.290 nan 0.000 0.561 60 Q N 0.859 120.658 119.800 -0.001 0.000 2.217 60 Q HA 0.192 4.532 4.340 -0.000 0.000 0.340 60 Q C 1.669 177.680 176.000 0.018 0.000 0.893 60 Q CA 0.020 55.825 55.803 0.004 0.000 1.142 60 Q CB 0.735 29.468 28.738 -0.008 0.000 1.288 60 Q HN 0.712 nan 8.270 nan 0.000 0.426 61 G N 0.890 109.696 108.800 0.010 0.000 2.491 61 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 61 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 61 G C 1.260 176.170 174.900 0.017 0.000 1.180 61 G CA 1.135 46.243 45.100 0.013 0.000 0.774 61 G HN 0.513 nan 8.290 nan 0.000 0.562 62 G N 0.922 109.726 108.800 0.008 0.000 2.514 62 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 62 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 62 G C 1.849 176.758 174.900 0.015 0.000 1.198 62 G CA 0.980 46.082 45.100 0.002 0.000 0.780 62 G HN 0.426 nan 8.290 nan 0.000 0.565 63 L N 0.153 121.403 121.223 0.045 0.000 2.042 63 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 63 L C 2.931 179.901 176.870 0.165 0.000 1.076 63 L CA 0.763 55.664 54.840 0.102 0.000 0.749 63 L CB -0.384 41.794 42.059 0.197 0.000 0.893 63 L HN 0.237 nan 8.230 nan 0.000 0.432 64 I N -0.676 119.986 120.570 0.154 0.000 2.179 64 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 64 I C 2.797 178.969 176.117 0.091 0.000 1.088 64 I CA 1.377 62.772 61.300 0.159 0.000 1.357 64 I CB -0.318 37.737 38.000 0.091 0.000 1.051 64 I HN 0.217 nan 8.210 nan 0.000 0.409 65 R N 0.751 121.277 120.500 0.043 0.000 2.055 65 R HA -0.113 4.226 4.340 -0.000 0.000 0.228 65 R C 2.175 178.464 176.300 -0.019 0.000 1.143 65 R CA 1.397 57.505 56.100 0.013 0.000 0.945 65 R CB -0.344 29.959 30.300 0.006 0.000 0.841 65 R HN 0.394 nan 8.270 nan 0.000 0.429 66 E N -0.325 119.854 120.200 -0.036 0.000 2.268 66 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 66 E C 1.883 178.398 176.600 -0.140 0.000 0.995 66 E CA 0.767 57.124 56.400 -0.072 0.000 0.836 66 E CB 0.195 29.857 29.700 -0.063 0.000 0.763 66 E HN 0.187 nan 8.360 nan 0.000 0.491 67 R N -1.426 118.944 120.500 -0.217 0.000 2.716 67 R HA 0.103 4.443 4.340 -0.000 0.000 0.186 67 R C 1.294 177.248 176.300 -0.577 0.000 0.830 67 R CA 0.037 55.866 56.100 -0.451 0.000 1.059 67 R CB 0.331 30.215 30.300 -0.693 0.000 1.531 67 R HN 0.033 nan 8.270 nan 0.000 0.633 68 F N 0.530 120.460 119.950 -0.033 0.000 2.317 68 F HA 0.317 4.844 4.527 -0.000 0.000 0.290 68 F C 2.322 178.103 175.800 -0.033 0.000 1.075 68 F CA 0.943 58.918 58.000 -0.041 0.000 1.380 68 F CB -0.485 38.488 39.000 -0.045 0.000 1.093 68 F HN 0.062 nan 8.300 nan 0.000 0.524 69 A N 0.235 123.134 122.820 0.132 0.000 1.902 69 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 69 A C 2.326 179.929 177.584 0.031 0.000 1.181 69 A CA 2.077 54.158 52.037 0.074 0.000 0.623 69 A CB -1.172 17.861 19.000 0.056 0.000 0.818 69 A HN 0.347 nan 8.150 nan 0.000 0.443 70 S N 0.452 116.152 115.700 -0.001 0.000 2.377 70 S HA -0.305 4.165 4.470 -0.000 0.000 0.224 70 S C 1.941 176.530 174.600 -0.019 0.000 1.042 70 S CA 1.806 59.991 58.200 -0.024 0.000 1.086 70 S CB -0.525 62.639 63.200 -0.060 0.000 0.995 70 S HN 0.657 nan 8.310 nan 0.000 0.428 71 R N 0.492 120.976 120.500 -0.026 0.000 2.139 71 R HA -0.028 4.312 4.340 -0.000 0.000 0.243 71 R C 2.180 178.485 176.300 0.008 0.000 1.145 71 R CA 1.258 57.349 56.100 -0.014 0.000 0.976 71 R CB -0.518 29.774 30.300 -0.013 0.000 0.866 71 R HN 0.382 nan 8.270 nan 0.000 0.449 72 I N 0.692 121.276 120.570 0.023 0.000 2.133 72 I HA -0.238 3.932 4.170 -0.000 0.000 0.238 72 I C 2.250 178.374 176.117 0.011 0.000 1.074 72 I CA 1.550 62.864 61.300 0.023 0.000 1.342 72 I CB -0.974 37.046 38.000 0.033 0.000 1.053 72 I HN 0.166 nan 8.210 nan 0.000 0.404 73 L N 0.337 121.565 121.223 0.009 0.000 2.056 73 L HA -0.133 4.206 4.340 -0.000 0.000 0.207 73 L C 1.544 178.414 176.870 -0.001 0.000 1.078 73 L CA 1.110 55.952 54.840 0.003 0.000 0.749 73 L CB -0.636 41.425 42.059 0.003 0.000 0.901 73 L HN 0.211 nan 8.230 nan 0.000 0.433 74 E N 0.654 120.852 120.200 -0.004 0.000 2.651 74 E HA 0.247 4.596 4.350 -0.000 0.000 0.236 74 E C -0.043 176.553 176.600 -0.006 0.000 1.422 74 E CA -0.274 56.121 56.400 -0.008 0.000 1.534 74 E CB 0.009 29.700 29.700 -0.015 0.000 1.381 74 E HN 0.400 nan 8.360 nan 0.000 0.435 75 A N 0.875 123.694 122.820 -0.002 0.000 2.556 75 A HA 0.251 4.571 4.320 -0.000 0.000 0.294 75 A C -1.081 176.503 177.584 -0.001 0.000 1.091 75 A CA -0.913 51.123 52.037 -0.001 0.000 0.704 75 A CB 1.381 20.383 19.000 0.003 0.000 1.300 75 A HN 0.091 nan 8.150 nan 0.000 0.406 76 D N 2.525 122.925 120.400 -0.000 0.000 2.346 76 D HA 0.162 4.802 4.640 -0.000 0.000 0.267 76 D C -0.933 175.366 176.300 -0.001 0.000 1.320 76 D CA -1.538 52.461 54.000 -0.001 0.000 0.951 76 D CB 0.805 41.605 40.800 -0.000 0.000 1.079 76 D HN 0.198 nan 8.370 nan 0.000 0.509 77 P HA -0.220 nan 4.420 nan 0.000 0.217 77 P C 0.795 178.091 177.300 -0.006 0.000 1.148 77 P CA 1.223 64.320 63.100 -0.005 0.000 0.834 77 P CB 0.308 32.005 31.700 -0.005 0.000 0.783 78 K N -0.212 120.185 120.400 -0.005 0.000 2.366 78 K HA -0.014 4.306 4.320 -0.000 0.000 0.198 78 K C 1.754 178.352 176.600 -0.005 0.000 1.044 78 K CA 0.722 57.006 56.287 -0.005 0.000 0.973 78 K CB -0.038 32.460 32.500 -0.004 0.000 0.767 78 K HN 0.199 nan 8.250 nan 0.000 0.475 79 K N 0.554 120.953 120.400 -0.002 0.000 2.410 79 K HA 0.152 4.471 4.320 -0.000 0.000 0.200 79 K C 0.588 177.188 176.600 -0.000 0.000 1.023 79 K CA 0.126 56.413 56.287 0.000 0.000 1.149 79 K CB 0.485 32.987 32.500 0.004 0.000 0.859 79 K HN 0.060 nan 8.250 nan 0.000 0.514 80 L N 1.241 122.461 121.223 -0.006 0.000 3.066 80 L HA 0.306 4.646 4.340 -0.000 0.000 0.265 80 L C -0.267 176.588 176.870 -0.025 0.000 1.232 80 L CA -0.127 54.706 54.840 -0.011 0.000 1.031 80 L CB 0.194 42.246 42.059 -0.011 0.000 1.379 80 L HN 0.019 nan 8.230 nan 0.000 0.563 81 L N -0.297 120.913 121.223 -0.022 0.000 2.313 81 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 81 L C 0.060 176.913 176.870 -0.028 0.000 1.010 81 L CA -1.008 53.815 54.840 -0.028 0.000 0.814 81 L CB 1.225 43.271 42.059 -0.021 0.000 1.304 81 L HN 0.140 nan 8.230 nan 0.000 0.441 82 N N -0.398 118.283 118.700 -0.033 0.000 2.322 82 N HA 0.028 4.767 4.740 -0.000 0.000 0.270 82 N C 0.546 176.045 175.510 -0.018 0.000 1.286 82 N CA -0.458 52.575 53.050 -0.029 0.000 0.948 82 N CB 0.297 38.765 38.487 -0.032 0.000 1.164 82 N HN 0.458 nan 8.380 nan 0.000 0.551 83 E N -0.553 119.638 120.200 -0.015 0.000 2.038 83 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 83 E C 1.799 178.394 176.600 -0.009 0.000 1.000 83 E CA 1.946 58.340 56.400 -0.010 0.000 0.803 83 E CB -0.828 28.867 29.700 -0.008 0.000 0.750 83 E HN 0.728 nan 8.360 nan 0.000 0.448 84 A N -0.036 122.778 122.820 -0.010 0.000 2.067 84 A HA 0.035 4.355 4.320 -0.000 0.000 0.219 84 A C 1.877 179.455 177.584 -0.009 0.000 1.158 84 A CA 1.633 53.665 52.037 -0.008 0.000 0.661 84 A CB -0.547 18.449 19.000 -0.007 0.000 0.801 84 A HN 0.370 nan 8.150 nan 0.000 0.452 85 G N -0.033 108.760 108.800 -0.012 0.000 2.153 85 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.252 85 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.252 85 G C 0.225 175.118 174.900 -0.013 0.000 0.994 85 G CA 1.130 46.222 45.100 -0.012 0.000 0.698 85 G HN 0.897 nan 8.290 nan 0.000 0.521 86 D N -1.000 119.392 120.400 -0.013 0.000 2.369 86 D HA 0.296 4.936 4.640 -0.000 0.000 0.211 86 D C 0.679 176.969 176.300 -0.017 0.000 1.077 86 D CA 0.064 54.056 54.000 -0.012 0.000 0.842 86 D CB 0.420 41.215 40.800 -0.009 0.000 0.947 86 D HN 0.284 nan 8.370 nan 0.000 0.509 87 N N -0.268 118.417 118.700 -0.024 0.000 2.823 87 N HA 0.282 5.021 4.740 -0.000 0.000 0.251 87 N C -1.520 173.960 175.510 -0.049 0.000 1.392 87 N CA -0.637 52.392 53.050 -0.035 0.000 0.864 87 N CB 1.502 39.968 38.487 -0.036 0.000 1.481 87 N HN -0.068 nan 8.380 nan 0.000 0.508 88 L N 0.779 121.962 121.223 -0.066 0.000 2.439 88 L HA 0.213 4.553 4.340 -0.000 0.000 0.269 88 L C 0.374 177.168 176.870 -0.127 0.000 1.179 88 L CA -0.110 54.679 54.840 -0.086 0.000 0.828 88 L CB 0.363 42.364 42.059 -0.097 0.000 1.106 88 L HN 0.472 nan 8.230 nan 0.000 0.467 89 D N 3.523 123.852 120.400 -0.117 0.000 2.412 89 D HA 0.218 4.858 4.640 -0.000 0.000 0.224 89 D C -1.835 174.349 176.300 -0.193 0.000 1.093 89 D CA -2.083 51.832 54.000 -0.141 0.000 0.850 89 D CB 1.894 42.650 40.800 -0.074 0.000 1.046 89 D HN 0.138 nan 8.370 nan 0.000 0.507 90 P HA -0.151 nan 4.420 nan 0.000 0.216 90 P C 0.809 178.027 177.300 -0.137 0.000 1.157 90 P CA 1.077 63.872 63.100 -0.509 0.000 0.880 90 P CB 0.379 31.270 31.700 -1.348 0.000 0.791 91 D N -0.682 119.678 120.400 -0.067 0.000 2.178 91 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 91 D C 1.756 178.138 176.300 0.136 0.000 0.980 91 D CA 1.108 55.151 54.000 0.073 0.000 0.842 91 D CB -0.220 40.594 40.800 0.025 0.000 0.948 91 D HN 0.311 nan 8.370 nan 0.000 0.472 92 K N 0.471 120.904 120.400 0.056 0.000 2.103 92 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 92 K C 2.248 178.897 176.600 0.082 0.000 1.052 92 K CA 0.402 56.727 56.287 0.064 0.000 0.945 92 K CB 0.108 32.619 32.500 0.018 0.000 0.722 92 K HN -0.025 nan 8.250 nan 0.000 0.443 93 V N 0.179 120.129 119.914 0.060 0.000 2.358 93 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 93 V C 1.894 178.061 176.094 0.121 0.000 1.047 93 V CA 1.550 63.886 62.300 0.059 0.000 1.035 93 V CB -0.493 31.340 31.823 0.015 0.000 0.658 93 V HN 0.452 nan 8.190 nan 0.000 0.452 94 W N 0.999 122.305 121.300 0.010 0.000 2.354 94 W HA -0.212 4.448 4.660 -0.000 0.000 0.315 94 W C 2.543 179.098 176.519 0.060 0.000 1.206 94 W CA 2.388 59.764 57.345 0.051 0.000 1.290 94 W CB -0.407 29.096 29.460 0.072 0.000 1.152 94 W HN 0.184 nan 8.180 nan 0.000 0.489 95 A N 0.502 123.547 122.820 0.374 0.000 1.940 95 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 95 A C 2.043 179.660 177.584 0.056 0.000 1.176 95 A CA 2.676 54.851 52.037 0.230 0.000 0.631 95 A CB -1.567 17.565 19.000 0.220 0.000 0.814 95 A HN 0.430 nan 8.150 nan 0.000 0.446 96 A N 0.516 123.368 122.820 0.054 0.000 1.908 96 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 96 A C 2.264 179.851 177.584 0.006 0.000 1.181 96 A CA 2.076 54.128 52.037 0.025 0.000 0.627 96 A CB -0.674 18.344 19.000 0.029 0.000 0.818 96 A HN 0.857 nan 8.150 nan 0.000 0.445 97 M N -3.253 116.337 119.600 -0.016 0.000 2.595 97 M HA 0.251 4.731 4.480 -0.000 0.000 0.248 97 M C 1.069 177.423 176.300 0.090 0.000 1.119 97 M CA 0.920 56.259 55.300 0.066 0.000 1.079 97 M CB 0.052 32.722 32.600 0.116 0.000 1.472 97 M HN 0.110 nan 8.290 nan 0.000 0.501 98 M N 2.137 121.657 119.600 -0.133 0.000 2.428 98 M HA 0.379 4.859 4.480 -0.000 0.000 0.239 98 M C 0.595 176.875 176.300 -0.033 0.000 1.121 98 M CA -0.398 54.811 55.300 -0.152 0.000 1.019 98 M CB -0.563 31.697 32.600 -0.566 0.000 1.485 98 M HN 0.418 nan 8.290 nan 0.000 0.484 99 I N -0.310 120.254 120.570 -0.010 0.000 2.692 99 I HA 0.104 4.273 4.170 -0.000 0.000 0.284 99 I C 0.160 176.274 176.117 -0.005 0.000 1.159 99 I CA 0.025 61.325 61.300 0.000 0.000 1.423 99 I CB 0.195 38.195 38.000 -0.001 0.000 1.380 99 I HN 0.294 nan 8.210 nan 0.000 0.580 100 N N 2.229 120.929 118.700 0.000 0.000 2.776 100 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 100 N C -0.814 174.695 175.510 -0.001 0.000 1.112 100 N CA 0.909 53.955 53.050 -0.007 0.000 0.733 100 N CB -0.999 37.472 38.487 -0.028 0.000 1.097 100 N HN 0.723 nan 8.380 nan 0.000 0.558 101 E N 0.943 121.158 120.200 0.025 0.000 2.129 101 E HA 0.270 4.620 4.350 -0.000 0.000 0.268 101 E C 0.339 176.968 176.600 0.048 0.000 0.900 101 E CA -0.353 56.081 56.400 0.056 0.000 0.755 101 E CB 1.361 31.129 29.700 0.114 0.000 1.117 101 E HN 0.137 nan 8.360 nan 0.000 0.410 102 K N 3.228 123.650 120.400 0.036 0.000 2.258 102 K HA 0.232 4.551 4.320 -0.000 0.000 0.264 102 K C -1.816 174.796 176.600 0.021 0.000 1.007 102 K CA -1.264 55.037 56.287 0.024 0.000 0.941 102 K CB 0.191 32.696 32.500 0.009 0.000 0.966 102 K HN 0.312 nan 8.250 nan 0.000 0.480 103 P HA 0.027 nan 4.420 nan 0.000 0.271 103 P C 0.288 177.530 177.300 -0.096 0.000 1.233 103 P CA 0.027 63.129 63.100 0.004 0.000 0.789 103 P CB 0.380 32.098 31.700 0.030 0.000 0.951 104 G N -0.281 108.374 108.800 -0.242 0.000 2.750 104 G HA2 0.179 4.138 3.960 -0.000 0.000 0.228 104 G HA3 0.179 4.138 3.960 -0.000 0.000 0.228 104 G C 0.431 175.002 174.900 -0.549 0.000 1.367 104 G CA 0.321 45.174 45.100 -0.411 0.000 0.871 104 G HN 1.279 nan 8.290 nan 0.000 0.560 105 G N -1.480 107.130 108.800 -0.316 0.000 2.314 105 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.292 105 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.292 105 G C 0.248 175.113 174.900 -0.058 0.000 1.059 105 G CA 1.001 46.021 45.100 -0.133 0.000 0.982 105 G HN 1.649 nan 8.290 nan 0.000 0.505 106 H N 0.341 119.532 119.070 0.203 0.000 3.092 106 H HA 0.518 5.074 4.556 -0.000 0.000 0.263 106 H C 0.935 176.405 175.328 0.237 0.000 1.611 106 H CA 0.747 56.972 56.048 0.296 0.000 1.457 106 H CB 0.390 30.373 29.762 0.369 0.000 1.731 106 H HN 0.758 nan 8.280 nan 0.000 0.532 107 G N 0.534 109.443 108.800 0.182 0.000 2.677 107 G HA2 0.286 4.246 3.960 -0.000 0.000 0.291 107 G HA3 0.286 4.246 3.960 -0.000 0.000 0.291 107 G C 0.069 174.918 174.900 -0.085 0.000 1.435 107 G CA -0.632 44.484 45.100 0.027 0.000 0.826 107 G HN 0.265 nan 8.290 nan 0.000 0.491 108 E N -0.865 119.231 120.200 -0.173 0.000 4.793 108 E HA -0.418 3.932 4.350 -0.000 0.000 0.187 108 E C 2.246 178.762 176.600 -0.140 0.000 1.388 108 E CA 3.196 59.514 56.400 -0.136 0.000 2.191 108 E CB -0.546 29.127 29.700 -0.045 0.000 1.933 108 E HN 0.768 nan 8.360 nan 0.000 0.287 109 R N 0.501 120.961 120.500 -0.067 0.000 2.189 109 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 109 R C 2.079 178.154 176.300 -0.376 0.000 1.092 109 R CA 1.838 57.913 56.100 -0.042 0.000 0.989 109 R CB -0.425 30.008 30.300 0.222 0.000 0.876 109 R HN 0.352 nan 8.270 nan 0.000 0.457 110 S N 0.564 115.917 115.700 -0.577 0.000 2.423 110 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 110 S C 1.967 176.174 174.600 -0.654 0.000 1.014 110 S CA 0.897 58.379 58.200 -1.196 0.000 0.965 110 S CB -0.166 62.366 63.200 -1.112 0.000 0.785 110 S HN 0.166 nan 8.310 nan 0.000 0.495 111 V N 2.062 121.700 119.914 -0.460 0.000 2.407 111 V HA 0.057 4.177 4.120 -0.000 0.000 0.245 111 V C 3.089 179.050 176.094 -0.222 0.000 1.041 111 V CA 1.311 63.423 62.300 -0.313 0.000 1.040 111 V CB -1.352 30.304 31.823 -0.278 0.000 0.671 111 V HN 0.630 nan 8.190 nan 0.000 0.455 112 A N 0.191 122.880 122.820 -0.218 0.000 1.858 112 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 112 A C 2.376 179.820 177.584 -0.233 0.000 1.190 112 A CA 2.120 54.065 52.037 -0.153 0.000 0.617 112 A CB -0.763 18.209 19.000 -0.048 0.000 0.827 112 A HN 0.306 nan 8.150 nan 0.000 0.443 113 V N 0.069 119.716 119.914 -0.445 0.000 2.407 113 V HA -0.169 3.950 4.120 -0.000 0.000 0.248 113 V C 2.802 178.842 176.094 -0.090 0.000 1.055 113 V CA 1.893 63.959 62.300 -0.389 0.000 1.049 113 V CB -1.499 30.049 31.823 -0.460 0.000 0.662 113 V HN 0.628 nan 8.190 nan 0.000 0.455 114 G N -0.933 107.812 108.800 -0.092 0.000 2.418 114 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.217 114 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.217 114 G C 1.796 176.697 174.900 0.002 0.000 1.158 114 G CA 1.588 46.696 45.100 0.014 0.000 0.771 114 G HN 0.450 nan 8.290 nan 0.000 0.545 115 T N 0.161 114.684 114.554 -0.051 0.000 2.904 115 T HA 0.042 4.391 4.350 -0.000 0.000 0.267 115 T C 2.429 177.141 174.700 0.021 0.000 1.059 115 T CA 0.886 62.961 62.100 -0.041 0.000 1.137 115 T CB -0.212 68.628 68.868 -0.046 0.000 0.879 115 T HN 0.265 nan 8.240 nan 0.000 0.467 116 I N 1.248 121.834 120.570 0.027 0.000 2.286 116 I HA -0.093 4.076 4.170 -0.000 0.000 0.245 116 I C 2.569 178.755 176.117 0.115 0.000 1.104 116 I CA 1.553 62.889 61.300 0.061 0.000 1.397 116 I CB -0.398 37.624 38.000 0.038 0.000 1.072 116 I HN 0.384 nan 8.210 nan 0.000 0.417 117 D N 1.213 121.709 120.400 0.161 0.000 2.149 117 D HA -0.271 4.368 4.640 -0.000 0.000 0.198 117 D C 2.244 178.759 176.300 0.358 0.000 0.990 117 D CA 1.468 55.651 54.000 0.306 0.000 0.839 117 D CB 0.005 41.054 40.800 0.416 0.000 0.948 117 D HN 0.299 nan 8.370 nan 0.000 0.460 118 M N 0.515 120.244 119.600 0.215 0.000 2.065 118 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 118 M C 2.307 178.752 176.300 0.241 0.000 1.069 118 M CA 2.096 57.505 55.300 0.182 0.000 1.110 118 M CB -0.127 32.492 32.600 0.032 0.000 1.328 118 M HN 0.086 nan 8.290 nan 0.000 0.405 119 A N -0.507 122.430 122.820 0.195 0.000 1.933 119 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 119 A C 2.035 179.702 177.584 0.137 0.000 1.175 119 A CA 1.853 53.996 52.037 0.175 0.000 0.628 119 A CB -1.132 17.941 19.000 0.121 0.000 0.814 119 A HN 0.445 nan 8.150 nan 0.000 0.444 120 V N -2.164 117.827 119.914 0.129 0.000 2.295 120 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 120 V C 2.269 178.381 176.094 0.029 0.000 1.049 120 V CA 1.978 64.302 62.300 0.040 0.000 1.024 120 V CB -1.050 30.768 31.823 -0.009 0.000 0.648 120 V HN 0.803 nan 8.190 nan 0.000 0.447 121 W N 0.272 121.608 121.300 0.060 0.000 2.388 121 W HA -0.136 4.524 4.660 -0.000 0.000 0.294 121 W C 2.346 178.886 176.519 0.034 0.000 1.212 121 W CA 1.534 58.907 57.345 0.047 0.000 1.271 121 W CB -0.455 29.034 29.460 0.048 0.000 1.126 121 W HN 0.317 nan 8.180 nan 0.000 0.535 122 D N -0.079 120.482 120.400 0.268 0.000 2.104 122 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 122 D C 2.190 178.558 176.300 0.113 0.000 0.994 122 D CA 2.163 56.270 54.000 0.178 0.000 0.830 122 D CB -0.462 40.471 40.800 0.221 0.000 0.959 122 D HN -0.002 nan 8.370 nan 0.000 0.452 123 A N -0.101 122.763 122.820 0.073 0.000 1.877 123 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 123 A C 2.593 180.185 177.584 0.014 0.000 1.186 123 A CA 1.753 53.802 52.037 0.020 0.000 0.620 123 A CB -0.957 18.035 19.000 -0.013 0.000 0.822 123 A HN 0.198 nan 8.150 nan 0.000 0.443 124 V N 0.032 119.946 119.914 -0.000 0.000 2.282 124 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 124 V C 3.068 179.176 176.094 0.023 0.000 1.057 124 V CA 2.198 64.482 62.300 -0.026 0.000 1.032 124 V CB -1.348 30.406 31.823 -0.115 0.000 0.645 124 V HN 0.634 nan 8.190 nan 0.000 0.447 125 A N -0.445 122.420 122.820 0.076 0.000 1.902 125 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 125 A C 2.292 179.892 177.584 0.026 0.000 1.181 125 A CA 2.039 54.114 52.037 0.063 0.000 0.623 125 A CB -0.448 18.599 19.000 0.079 0.000 0.818 125 A HN 0.566 nan 8.150 nan 0.000 0.443 126 K N -0.439 119.980 120.400 0.032 0.000 2.057 126 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 126 K C 1.755 178.363 176.600 0.012 0.000 1.049 126 K CA 1.542 57.843 56.287 0.023 0.000 0.931 126 K CB -0.371 32.151 32.500 0.035 0.000 0.714 126 K HN 0.525 nan 8.250 nan 0.000 0.440 127 I N 0.848 121.422 120.570 0.008 0.000 2.361 127 I HA -0.235 3.934 4.170 -0.000 0.000 0.251 127 I C 2.138 178.254 176.117 -0.001 0.000 1.133 127 I CA 0.918 62.218 61.300 0.001 0.000 1.413 127 I CB -0.207 37.788 38.000 -0.009 0.000 1.073 127 I HN 0.144 nan 8.210 nan 0.000 0.424 128 A N 0.214 123.034 122.820 0.001 0.000 2.251 128 A HA 0.308 4.627 4.320 -0.000 0.000 0.209 128 A C 1.826 179.407 177.584 -0.006 0.000 1.187 128 A CA 0.672 52.708 52.037 -0.001 0.000 0.823 128 A CB -0.504 18.498 19.000 0.004 0.000 0.846 128 A HN 0.522 nan 8.150 nan 0.000 0.486 129 G N -0.331 108.466 108.800 -0.006 0.000 2.198 129 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 129 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 129 G C 0.063 174.945 174.900 -0.029 0.000 1.025 129 G CA 0.901 45.994 45.100 -0.012 0.000 0.769 129 G HN 0.626 nan 8.290 nan 0.000 0.507 130 K N -0.494 119.882 120.400 -0.041 0.000 2.400 130 K HA 0.555 4.875 4.320 -0.000 0.000 0.246 130 K C -3.024 173.501 176.600 -0.126 0.000 0.995 130 K CA -2.374 53.861 56.287 -0.087 0.000 0.840 130 K CB 2.406 34.854 32.500 -0.086 0.000 1.293 130 K HN -0.098 nan 8.250 nan 0.000 0.445 131 P HA 0.034 nan 4.420 nan 0.000 0.280 131 P C 0.431 177.539 177.300 -0.320 0.000 1.244 131 P CA -0.405 62.502 63.100 -0.322 0.000 0.784 131 P CB 0.604 31.917 31.700 -0.644 0.000 0.913 132 L N 5.174 126.326 121.223 -0.118 0.000 2.034 132 L HA -0.229 4.111 4.340 -0.000 0.000 0.217 132 L C 1.841 178.697 176.870 -0.023 0.000 1.077 132 L CA 2.181 57.013 54.840 -0.013 0.000 0.769 132 L CB -1.621 40.466 42.059 0.047 0.000 0.890 132 L HN 0.446 nan 8.230 nan 0.000 0.435 133 F N -1.182 118.761 119.950 -0.012 0.000 2.216 133 F HA -0.091 4.435 4.527 -0.000 0.000 0.300 133 F C 2.211 178.014 175.800 0.005 0.000 1.085 133 F CA 0.962 58.950 58.000 -0.020 0.000 1.326 133 F CB -0.906 38.080 39.000 -0.024 0.000 1.027 133 F HN -0.051 nan 8.300 nan 0.000 0.497 134 R N 0.856 121.017 120.500 -0.565 0.000 2.073 134 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 134 R C 2.245 178.492 176.300 -0.088 0.000 1.120 134 R CA 1.165 57.083 56.100 -0.303 0.000 0.967 134 R CB -1.289 28.750 30.300 -0.436 0.000 0.862 134 R HN 0.405 nan 8.270 nan 0.000 0.436 135 L N 1.216 122.391 121.223 -0.079 0.000 2.083 135 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 135 L C 2.153 179.087 176.870 0.106 0.000 1.083 135 L CA 1.475 56.334 54.840 0.031 0.000 0.752 135 L CB -0.569 41.531 42.059 0.068 0.000 0.899 135 L HN 0.095 nan 8.230 nan 0.000 0.433 136 L N -0.959 120.324 121.223 0.100 0.000 1.994 136 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 136 L C 2.634 179.600 176.870 0.159 0.000 1.071 136 L CA 1.379 56.295 54.840 0.126 0.000 0.745 136 L CB -0.722 41.340 42.059 0.006 0.000 0.892 136 L HN 0.397 nan 8.230 nan 0.000 0.431 137 A N -0.431 122.453 122.820 0.106 0.000 1.908 137 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 137 A C 2.092 179.757 177.584 0.136 0.000 1.181 137 A CA 1.899 54.003 52.037 0.111 0.000 0.627 137 A CB -0.548 18.517 19.000 0.108 0.000 0.818 137 A HN 0.475 nan 8.150 nan 0.000 0.445 138 E N -0.612 119.652 120.200 0.107 0.000 2.038 138 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 138 E C 2.298 178.962 176.600 0.107 0.000 1.000 138 E CA 1.438 57.891 56.400 0.088 0.000 0.803 138 E CB -0.199 29.537 29.700 0.060 0.000 0.750 138 E HN 0.556 nan 8.360 nan 0.000 0.448 139 R N -0.346 120.240 120.500 0.143 0.000 2.159 139 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 139 R C 1.649 177.978 176.300 0.049 0.000 1.131 139 R CA 1.203 57.373 56.100 0.116 0.000 0.982 139 R CB -0.196 30.212 30.300 0.180 0.000 0.868 139 R HN 0.275 nan 8.270 nan 0.000 0.453 140 H N -1.384 117.718 119.070 0.053 0.000 2.551 140 H HA 0.221 4.777 4.556 -0.000 0.000 0.271 140 H C 0.785 176.135 175.328 0.037 0.000 0.984 140 H CA 0.551 56.625 56.048 0.043 0.000 1.164 140 H CB 0.891 30.679 29.762 0.044 0.000 1.437 140 H HN 0.355 nan 8.280 nan 0.000 0.550 141 G N 1.014 109.890 108.800 0.127 0.000 2.272 141 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.280 141 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.280 141 G C 0.074 175.027 174.900 0.088 0.000 1.067 141 G CA 0.505 45.655 45.100 0.083 0.000 0.902 141 G HN 0.553 nan 8.290 nan 0.000 0.500 142 V N -4.232 115.743 119.914 0.102 0.000 3.160 142 V HA 0.879 4.999 4.120 -0.000 0.000 0.310 142 V C 0.067 176.207 176.094 0.077 0.000 1.181 142 V CA -1.464 60.886 62.300 0.083 0.000 1.047 142 V CB 2.005 33.880 31.823 0.087 0.000 1.068 142 V HN 0.437 nan 8.190 nan 0.000 0.441 143 K N 1.343 121.783 120.400 0.068 0.000 2.172 143 K HA 0.781 5.101 4.320 -0.000 0.000 0.276 143 K C 0.152 176.804 176.600 0.087 0.000 1.013 143 K CA 0.021 56.350 56.287 0.072 0.000 0.913 143 K CB 1.482 34.017 32.500 0.058 0.000 1.055 143 K HN 1.232 nan 8.250 nan 0.000 0.461 144 A N 3.064 125.956 122.820 0.121 0.000 2.313 144 A HA 0.215 4.535 4.320 -0.000 0.000 0.261 144 A C -0.339 177.316 177.584 0.119 0.000 1.090 144 A CA -0.401 51.736 52.037 0.167 0.000 0.807 144 A CB 0.324 19.527 19.000 0.338 0.000 1.055 144 A HN 0.811 nan 8.150 nan 0.000 0.492 145 N N 0.395 119.136 118.700 0.068 0.000 2.577 145 N HA 0.297 5.036 4.740 -0.000 0.000 0.275 145 N C -2.413 173.036 175.510 -0.102 0.000 1.091 145 N CA -1.704 51.352 53.050 0.010 0.000 0.843 145 N CB 1.940 40.440 38.487 0.022 0.000 1.295 145 N HN 0.253 nan 8.380 nan 0.000 0.530 146 P HA -0.005 nan 4.420 nan 0.000 0.234 146 P C -0.347 176.833 177.300 -0.201 0.000 1.167 146 P CA 0.393 63.294 63.100 -0.332 0.000 0.763 146 P CB 0.409 31.983 31.700 -0.210 0.000 0.835 147 R N 0.477 120.926 120.500 -0.086 0.000 2.220 147 R HA 0.417 4.757 4.340 -0.000 0.000 0.340 147 R C -0.518 175.820 176.300 0.062 0.000 1.076 147 R CA -0.338 55.757 56.100 -0.009 0.000 0.920 147 R CB 0.894 31.201 30.300 0.012 0.000 1.062 147 R HN -0.081 nan 8.270 nan 0.000 0.469 148 V N 4.782 124.723 119.914 0.045 0.000 2.495 148 V HA 0.273 4.393 4.120 -0.000 0.000 0.298 148 V C -0.336 175.774 176.094 0.027 0.000 1.031 148 V CA -0.993 61.341 62.300 0.057 0.000 0.871 148 V CB 1.448 33.251 31.823 -0.034 0.000 0.988 148 V HN 0.575 nan 8.190 nan 0.000 0.432 149 F N 6.586 126.446 119.950 -0.151 0.000 2.484 149 F HA 0.593 5.120 4.527 -0.000 0.000 0.360 149 F C 0.014 175.709 175.800 -0.175 0.000 1.101 149 F CA -0.033 57.703 58.000 -0.440 0.000 1.251 149 F CB 0.947 39.745 39.000 -0.335 0.000 1.132 149 F HN 0.402 nan 8.300 nan 0.000 0.570 150 V N 4.550 123.836 119.914 -1.046 0.000 2.841 150 V HA 0.599 4.719 4.120 -0.000 0.000 0.310 150 V C -1.552 174.066 176.094 -0.794 0.000 1.090 150 V CA -1.015 60.853 62.300 -0.720 0.000 0.930 150 V CB 1.070 32.797 31.823 -0.160 0.000 1.014 150 V HN 0.900 nan 8.190 nan 0.000 0.425 151 Y N 1.929 121.799 120.300 -0.717 0.000 2.524 151 Y HA 0.967 5.517 4.550 -0.000 0.000 0.344 151 Y C -0.068 175.394 175.900 -0.730 0.000 1.012 151 Y CA -1.044 56.689 58.100 -0.612 0.000 1.068 151 Y CB 1.812 39.930 38.460 -0.570 0.000 1.249 151 Y HN 1.058 nan 8.280 nan 0.000 0.468 152 A N 2.293 124.593 122.820 -0.868 0.000 2.276 152 A HA 0.781 5.101 4.320 -0.000 0.000 0.300 152 A C -0.448 176.652 177.584 -0.806 0.000 1.235 152 A CA -0.209 51.074 52.037 -1.258 0.000 0.867 152 A CB -0.450 17.541 19.000 -1.681 0.000 1.137 152 A HN 1.277 nan 8.150 nan 0.000 0.527 153 A N 2.393 124.770 122.820 -0.737 0.000 2.288 153 A HA 0.848 5.168 4.320 -0.000 0.000 0.320 153 A C 0.581 178.113 177.584 -0.087 0.000 1.217 153 A CA 0.273 52.145 52.037 -0.274 0.000 0.840 153 A CB 0.769 19.686 19.000 -0.138 0.000 1.179 153 A HN 2.023 nan 8.150 nan 0.000 0.504 154 G N 0.395 109.175 108.800 -0.033 0.000 2.818 154 G HA2 0.544 4.503 3.960 -0.000 0.000 0.109 154 G HA3 0.544 4.503 3.960 -0.000 0.000 0.109 154 G C 0.649 175.532 174.900 -0.028 0.000 1.206 154 G CA 0.646 45.834 45.100 0.146 0.000 1.243 154 G HN 2.175 nan 8.290 nan 0.000 0.609 155 G N -0.556 108.289 108.800 0.073 0.000 2.273 155 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.280 155 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.280 155 G C 0.189 174.974 174.900 -0.191 0.000 1.047 155 G CA 0.825 45.888 45.100 -0.062 0.000 0.869 155 G HN 0.761 nan 8.290 nan 0.000 0.502 156 Y N -1.421 118.833 120.300 -0.077 0.000 2.299 156 Y HA 0.499 5.049 4.550 -0.000 0.000 0.335 156 Y C 1.075 176.936 175.900 -0.065 0.000 1.287 156 Y CA -0.300 57.767 58.100 -0.055 0.000 1.424 156 Y CB 0.482 38.951 38.460 0.015 0.000 1.326 156 Y HN 0.223 nan 8.280 nan 0.000 0.567 157 Y N 0.867 121.348 120.300 0.302 0.000 2.316 157 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 157 Y C -0.629 175.441 175.900 0.284 0.000 1.083 157 Y CA -0.334 57.904 58.100 0.229 0.000 1.206 157 Y CB 0.337 38.903 38.460 0.177 0.000 1.195 157 Y HN 0.420 nan 8.280 nan 0.000 0.497 158 Y N 5.077 125.514 120.300 0.229 0.000 2.492 158 Y HA 0.445 4.994 4.550 -0.000 0.000 0.346 158 Y C -2.470 173.500 175.900 0.116 0.000 0.997 158 Y CA -3.054 55.130 58.100 0.140 0.000 1.025 158 Y CB 1.989 40.496 38.460 0.078 0.000 1.263 158 Y HN 0.417 nan 8.280 nan 0.000 0.454 159 P HA 0.146 nan 4.420 nan 0.000 0.262 159 P C 0.496 177.840 177.300 0.074 0.000 1.199 159 P CA 1.538 64.594 63.100 -0.073 0.000 0.763 159 P CB 0.562 32.144 31.700 -0.196 0.000 0.790 160 G N 2.423 111.282 108.800 0.099 0.000 2.159 160 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.256 160 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.256 160 G C 0.164 175.147 174.900 0.138 0.000 0.977 160 G CA 0.098 45.264 45.100 0.110 0.000 0.652 160 G HN 0.714 nan 8.290 nan 0.000 0.531 161 K N 0.810 121.320 120.400 0.184 0.000 2.276 161 K HA 0.559 4.879 4.320 -0.000 0.000 0.285 161 K C 0.983 177.648 176.600 0.108 0.000 1.062 161 K CA 0.228 56.606 56.287 0.152 0.000 0.918 161 K CB 0.260 32.883 32.500 0.204 0.000 1.055 161 K HN 0.292 nan 8.250 nan 0.000 0.477 162 G N 2.663 111.503 108.800 0.067 0.000 2.705 162 G HA2 0.224 4.183 3.960 -0.000 0.000 0.299 162 G HA3 0.224 4.183 3.960 -0.000 0.000 0.299 162 G C 0.812 175.731 174.900 0.031 0.000 1.315 162 G CA -0.772 44.360 45.100 0.053 0.000 1.045 162 G HN 0.631 nan 8.290 nan 0.000 0.517 163 L N 0.372 121.610 121.223 0.024 0.000 2.079 163 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 163 L C 3.285 180.151 176.870 -0.006 0.000 1.081 163 L CA 1.887 56.731 54.840 0.008 0.000 0.752 163 L CB -0.649 41.415 42.059 0.008 0.000 0.896 163 L HN 0.676 nan 8.230 nan 0.000 0.433 164 S N 0.264 115.963 115.700 -0.003 0.000 2.359 164 S HA -0.290 4.180 4.470 -0.000 0.000 0.222 164 S C 1.946 176.529 174.600 -0.028 0.000 1.038 164 S CA 1.590 59.782 58.200 -0.013 0.000 1.051 164 S CB -0.634 62.561 63.200 -0.008 0.000 0.944 164 S HN 0.331 nan 8.310 nan 0.000 0.433 165 M N 1.029 120.614 119.600 -0.025 0.000 2.117 165 M HA 0.049 4.529 4.480 -0.000 0.000 0.262 165 M C 2.446 178.708 176.300 -0.064 0.000 1.065 165 M CA 1.288 56.559 55.300 -0.048 0.000 1.114 165 M CB -0.567 32.010 32.600 -0.040 0.000 1.361 165 M HN 0.318 nan 8.290 nan 0.000 0.408 166 L N 0.025 121.222 121.223 -0.042 0.000 1.990 166 L HA -0.296 4.043 4.340 -0.000 0.000 0.213 166 L C 2.803 179.635 176.870 -0.063 0.000 1.072 166 L CA 1.617 56.427 54.840 -0.049 0.000 0.755 166 L CB -0.356 41.682 42.059 -0.035 0.000 0.889 166 L HN 0.302 nan 8.230 nan 0.000 0.432 167 R N -0.498 119.971 120.500 -0.052 0.000 2.096 167 R HA -0.187 4.153 4.340 -0.000 0.000 0.240 167 R C 2.123 178.375 176.300 -0.080 0.000 1.139 167 R CA 1.567 57.635 56.100 -0.054 0.000 0.952 167 R CB -1.010 29.266 30.300 -0.039 0.000 0.854 167 R HN 0.556 nan 8.270 nan 0.000 0.436 168 G N 0.990 109.736 108.800 -0.090 0.000 2.446 168 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.217 168 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.217 168 G C 1.301 176.085 174.900 -0.193 0.000 1.168 168 G CA 0.951 45.980 45.100 -0.118 0.000 0.771 168 G HN 0.475 nan 8.290 nan 0.000 0.551 169 E N -0.379 119.685 120.200 -0.228 0.000 2.049 169 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 169 E C 2.575 178.806 176.600 -0.614 0.000 1.007 169 E CA 1.434 57.590 56.400 -0.407 0.000 0.809 169 E CB -0.170 29.369 29.700 -0.268 0.000 0.749 169 E HN 0.269 nan 8.360 nan 0.000 0.450 170 M N 0.483 119.922 119.600 -0.269 0.000 2.065 170 M HA -0.153 4.327 4.480 -0.000 0.000 0.259 170 M C 2.444 178.689 176.300 -0.092 0.000 1.069 170 M CA 1.512 56.764 55.300 -0.079 0.000 1.110 170 M CB -1.293 31.312 32.600 0.009 0.000 1.328 170 M HN 0.071 nan 8.290 nan 0.000 0.405 171 R N 0.737 121.174 120.500 -0.106 0.000 2.105 171 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 171 R C 2.170 178.417 176.300 -0.087 0.000 1.135 171 R CA 2.077 58.136 56.100 -0.067 0.000 0.967 171 R CB -1.431 28.829 30.300 -0.066 0.000 0.861 171 R HN 0.441 nan 8.270 nan 0.000 0.442 172 G N -0.943 107.735 108.800 -0.204 0.000 2.442 172 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.219 172 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.219 172 G C 0.969 175.813 174.900 -0.093 0.000 1.141 172 G CA 1.028 46.003 45.100 -0.208 0.000 0.763 172 G HN 0.373 nan 8.290 nan 0.000 0.554 173 Y N 0.125 120.446 120.300 0.034 0.000 2.163 173 Y HA 0.069 4.619 4.550 -0.000 0.000 0.288 173 Y C 2.719 178.729 175.900 0.183 0.000 1.136 173 Y CA 0.192 58.365 58.100 0.121 0.000 1.147 173 Y CB -0.927 37.536 38.460 0.006 0.000 0.987 173 Y HN 0.044 nan 8.280 nan 0.000 0.509 174 L N 0.166 121.526 121.223 0.227 0.000 2.079 174 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 174 L C 1.860 178.774 176.870 0.074 0.000 1.081 174 L CA 1.719 56.638 54.840 0.132 0.000 0.752 174 L CB -0.899 41.202 42.059 0.069 0.000 0.896 174 L HN 0.140 nan 8.230 nan 0.000 0.433 175 D N -0.556 119.876 120.400 0.054 0.000 2.221 175 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 175 D C 2.007 178.318 176.300 0.018 0.000 0.982 175 D CA 0.951 54.963 54.000 0.020 0.000 0.857 175 D CB -0.066 40.734 40.800 0.001 0.000 0.934 175 D HN 0.276 nan 8.370 nan 0.000 0.475 176 R N -0.867 119.668 120.500 0.059 0.000 2.388 176 R HA 0.231 4.571 4.340 -0.000 0.000 0.247 176 R C 0.991 177.184 176.300 -0.178 0.000 0.931 176 R CA 0.404 56.505 56.100 0.001 0.000 1.082 176 R CB 0.543 30.918 30.300 0.126 0.000 1.135 176 R HN 0.153 nan 8.270 nan 0.000 0.525 177 G N -0.272 108.446 108.800 -0.136 0.000 2.176 177 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.232 177 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.232 177 G C -0.340 174.400 174.900 -0.267 0.000 0.986 177 G CA -0.426 44.547 45.100 -0.212 0.000 0.643 177 G HN 0.242 nan 8.290 nan 0.000 0.522 178 Y N 1.293 121.581 120.300 -0.021 0.000 2.359 178 Y HA 0.367 4.917 4.550 -0.000 0.000 0.330 178 Y C 1.560 177.433 175.900 -0.045 0.000 1.143 178 Y CA 0.184 58.246 58.100 -0.062 0.000 1.318 178 Y CB 0.668 39.078 38.460 -0.084 0.000 1.234 178 Y HN 0.361 nan 8.280 nan 0.000 0.522 179 N N -0.048 118.705 118.700 0.089 0.000 2.205 179 N HA 0.239 4.979 4.740 -0.000 0.000 0.201 179 N C -1.100 174.379 175.510 -0.052 0.000 1.128 179 N CA 0.029 53.101 53.050 0.036 0.000 0.867 179 N CB 0.616 39.137 38.487 0.057 0.000 0.996 179 N HN 0.241 nan 8.380 nan 0.000 0.503 180 V N 1.596 121.461 119.914 -0.081 0.000 2.733 180 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 180 V C -0.500 175.463 176.094 -0.219 0.000 1.084 180 V CA -0.905 61.226 62.300 -0.282 0.000 0.905 180 V CB 1.900 33.398 31.823 -0.541 0.000 1.010 180 V HN 0.142 nan 8.190 nan 0.000 0.424 181 V N 1.758 121.531 119.914 -0.234 0.000 2.914 181 V HA 0.795 4.915 4.120 -0.000 0.000 0.314 181 V C -0.751 175.208 176.094 -0.224 0.000 1.084 181 V CA -0.984 61.201 62.300 -0.191 0.000 0.963 181 V CB 1.988 33.778 31.823 -0.056 0.000 1.025 181 V HN 0.875 nan 8.190 nan 0.000 0.432 182 K N 3.821 124.119 120.400 -0.170 0.000 2.324 182 K HA 0.843 5.163 4.320 -0.000 0.000 0.253 182 K C -0.767 175.776 176.600 -0.095 0.000 0.932 182 K CA -0.851 55.349 56.287 -0.146 0.000 0.799 182 K CB 2.083 34.555 32.500 -0.047 0.000 1.154 182 K HN 1.052 nan 8.250 nan 0.000 0.425 183 M N 1.121 120.665 119.600 -0.094 0.000 2.658 183 M HA 0.590 5.070 4.480 -0.000 0.000 0.295 183 M C -1.167 175.051 176.300 -0.138 0.000 1.248 183 M CA -1.074 54.148 55.300 -0.129 0.000 0.843 183 M CB 1.867 34.401 32.600 -0.111 0.000 1.749 183 M HN 0.154 nan 8.290 nan 0.000 0.464 184 K N 2.354 122.608 120.400 -0.244 0.000 2.098 184 K HA 0.770 5.090 4.320 -0.000 0.000 0.261 184 K C -0.473 176.088 176.600 -0.065 0.000 0.987 184 K CA -0.349 55.837 56.287 -0.168 0.000 0.916 184 K CB 1.310 33.670 32.500 -0.233 0.000 1.039 184 K HN 0.901 nan 8.250 nan 0.000 0.455 185 I N -4.585 116.067 120.570 0.137 0.000 3.279 185 I HA 0.656 4.825 4.170 -0.000 0.000 0.315 185 I C 0.670 176.981 176.117 0.324 0.000 1.187 185 I CA -0.842 60.639 61.300 0.303 0.000 0.953 185 I CB 2.094 40.265 38.000 0.285 0.000 1.279 185 I HN 0.582 nan 8.210 nan 0.000 0.465 186 G N 0.974 110.012 108.800 0.397 0.000 2.179 186 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 186 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 186 G C 0.695 175.734 174.900 0.233 0.000 0.977 186 G CA 0.249 45.571 45.100 0.370 0.000 0.641 186 G HN 1.486 nan 8.290 nan 0.000 0.533 187 G N -0.771 108.100 108.800 0.118 0.000 3.453 187 G HA2 0.781 4.741 3.960 -0.000 0.000 0.263 187 G HA3 0.781 4.741 3.960 -0.000 0.000 0.263 187 G C 0.281 174.844 174.900 -0.561 0.000 1.060 187 G CA 1.486 46.317 45.100 -0.449 0.000 0.793 187 G HN 1.740 nan 8.290 nan 0.000 0.532 188 A N -0.354 122.402 122.820 -0.108 0.000 2.599 188 A HA 0.825 5.145 4.320 -0.000 0.000 0.290 188 A C -3.074 174.590 177.584 0.133 0.000 1.101 188 A CA -1.129 50.909 52.037 0.002 0.000 0.674 188 A CB 0.711 19.773 19.000 0.103 0.000 1.277 188 A HN -0.003 nan 8.150 nan 0.000 0.419 189 P HA 0.177 nan 4.420 nan 0.000 0.269 189 P C 1.121 178.482 177.300 0.101 0.000 1.217 189 P CA -0.268 62.885 63.100 0.088 0.000 0.783 189 P CB 0.486 32.211 31.700 0.041 0.000 0.898 190 I N 1.273 121.848 120.570 0.008 0.000 2.151 190 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 190 I C 1.700 177.725 176.117 -0.154 0.000 1.080 190 I CA 1.774 62.931 61.300 -0.238 0.000 1.339 190 I CB 0.043 37.720 38.000 -0.539 0.000 1.039 190 I HN 0.337 nan 8.210 nan 0.000 0.409 191 E N 0.394 120.545 120.200 -0.082 0.000 2.153 191 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 191 E C 1.956 178.560 176.600 0.006 0.000 0.988 191 E CA 1.151 57.528 56.400 -0.038 0.000 0.811 191 E CB -0.242 29.445 29.700 -0.023 0.000 0.746 191 E HN 0.620 nan 8.360 nan 0.000 0.466 192 E N 0.483 120.704 120.200 0.035 0.000 2.106 192 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 192 E C 1.411 178.068 176.600 0.095 0.000 0.984 192 E CA 0.923 57.365 56.400 0.069 0.000 0.806 192 E CB 0.192 29.946 29.700 0.091 0.000 0.750 192 E HN 0.092 nan 8.360 nan 0.000 0.458 193 D N 0.037 120.513 120.400 0.125 0.000 2.117 193 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 193 D C 1.946 178.281 176.300 0.059 0.000 0.982 193 D CA 0.639 54.739 54.000 0.167 0.000 0.828 193 D CB -0.210 40.788 40.800 0.330 0.000 0.967 193 D HN 0.126 nan 8.370 nan 0.000 0.464 194 R N 0.257 120.759 120.500 0.004 0.000 2.096 194 R HA -0.137 4.203 4.340 -0.000 0.000 0.240 194 R C 2.282 178.547 176.300 -0.057 0.000 1.139 194 R CA 1.260 57.339 56.100 -0.034 0.000 0.952 194 R CB -0.212 30.096 30.300 0.013 0.000 0.854 194 R HN 0.174 nan 8.270 nan 0.000 0.436 195 M N -0.251 119.344 119.600 -0.009 0.000 2.159 195 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 195 M C 2.317 178.605 176.300 -0.020 0.000 1.063 195 M CA 1.707 57.003 55.300 -0.007 0.000 1.110 195 M CB -0.143 32.468 32.600 0.018 0.000 1.374 195 M HN 0.139 nan 8.290 nan 0.000 0.411 196 R N 0.136 120.635 120.500 -0.002 0.000 2.115 196 R HA -0.040 4.300 4.340 -0.000 0.000 0.230 196 R C 1.996 178.258 176.300 -0.063 0.000 1.111 196 R CA 1.109 57.201 56.100 -0.013 0.000 0.976 196 R CB -0.367 29.942 30.300 0.014 0.000 0.870 196 R HN 0.388 nan 8.270 nan 0.000 0.445 197 I N 0.691 121.196 120.570 -0.107 0.000 2.233 197 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 197 I C 2.063 178.039 176.117 -0.234 0.000 1.093 197 I CA 1.345 62.527 61.300 -0.196 0.000 1.380 197 I CB -0.195 37.612 38.000 -0.321 0.000 1.067 197 I HN 0.176 nan 8.210 nan 0.000 0.413 198 E N 0.925 120.978 120.200 -0.245 0.000 2.118 198 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 198 E C 2.305 178.864 176.600 -0.068 0.000 0.992 198 E CA 1.312 57.621 56.400 -0.151 0.000 0.804 198 E CB -0.184 29.480 29.700 -0.060 0.000 0.741 198 E HN 0.516 nan 8.360 nan 0.000 0.458 199 A N 0.800 123.587 122.820 -0.055 0.000 1.933 199 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 199 A C 2.449 180.013 177.584 -0.035 0.000 1.175 199 A CA 1.147 53.166 52.037 -0.031 0.000 0.628 199 A CB -0.429 18.557 19.000 -0.023 0.000 0.814 199 A HN 0.120 nan 8.150 nan 0.000 0.444 200 V N -0.422 119.462 119.914 -0.050 0.000 2.453 200 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 200 V C 2.392 178.466 176.094 -0.034 0.000 1.048 200 V CA 1.279 63.553 62.300 -0.043 0.000 1.049 200 V CB -0.674 31.118 31.823 -0.052 0.000 0.672 200 V HN 0.432 nan 8.190 nan 0.000 0.457 201 L N 0.383 121.580 121.223 -0.045 0.000 2.083 201 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 201 L C 2.489 179.360 176.870 0.002 0.000 1.083 201 L CA 2.060 56.889 54.840 -0.018 0.000 0.752 201 L CB -1.084 40.965 42.059 -0.017 0.000 0.899 201 L HN 0.497 nan 8.230 nan 0.000 0.433 202 E N -0.370 119.829 120.200 -0.002 0.000 2.072 202 E HA -0.249 4.100 4.350 -0.000 0.000 0.191 202 E C 2.080 178.680 176.600 0.001 0.000 0.985 202 E CA 1.217 57.621 56.400 0.006 0.000 0.801 202 E CB 0.013 29.716 29.700 0.004 0.000 0.750 202 E HN 0.359 nan 8.360 nan 0.000 0.452 203 E N 0.635 120.831 120.200 -0.007 0.000 2.072 203 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 203 E C 2.043 178.640 176.600 -0.005 0.000 0.985 203 E CA 1.865 58.259 56.400 -0.010 0.000 0.801 203 E CB -0.403 29.286 29.700 -0.018 0.000 0.750 203 E HN 0.631 nan 8.360 nan 0.000 0.452 204 I N -3.435 117.133 120.570 -0.002 0.000 3.059 204 I HA 0.274 4.444 4.170 -0.000 0.000 0.270 204 I C 1.676 177.797 176.117 0.007 0.000 1.238 204 I CA 0.601 61.903 61.300 0.003 0.000 1.478 204 I CB -0.617 37.384 38.000 0.002 0.000 1.097 204 I HN 0.194 nan 8.210 nan 0.000 0.455 205 G N 2.954 111.760 108.800 0.010 0.000 2.690 205 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.334 205 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.334 205 G C 0.753 175.665 174.900 0.019 0.000 1.250 205 G CA 0.986 46.096 45.100 0.015 0.000 0.994 205 G HN 0.538 nan 8.290 nan 0.000 0.549 206 K N 0.920 121.331 120.400 0.017 0.000 2.399 206 K HA 0.222 4.542 4.320 -0.000 0.000 0.204 206 K C 0.634 177.244 176.600 0.016 0.000 1.023 206 K CA 0.267 56.566 56.287 0.020 0.000 1.127 206 K CB 0.560 33.072 32.500 0.020 0.000 0.856 206 K HN 0.370 nan 8.250 nan 0.000 0.514 207 D N 0.747 121.155 120.400 0.013 0.000 2.350 207 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 207 D C 0.228 176.534 176.300 0.010 0.000 1.031 207 D CA 0.348 54.355 54.000 0.012 0.000 0.861 207 D CB 0.798 41.604 40.800 0.011 0.000 0.926 207 D HN 0.189 nan 8.370 nan 0.000 0.520 208 A N 0.049 122.870 122.820 0.002 0.000 2.601 208 A HA 0.526 4.845 4.320 -0.000 0.000 0.291 208 A C -1.346 176.215 177.584 -0.038 0.000 1.075 208 A CA -0.709 51.316 52.037 -0.021 0.000 0.671 208 A CB 1.572 20.566 19.000 -0.011 0.000 1.277 208 A HN -0.098 nan 8.150 nan 0.000 0.417 209 Q N -0.433 119.305 119.800 -0.103 0.000 2.301 209 Q HA 0.657 4.996 4.340 -0.000 0.000 0.267 209 Q C -1.425 174.488 176.000 -0.145 0.000 1.035 209 Q CA -0.867 54.880 55.803 -0.094 0.000 0.856 209 Q CB 2.591 31.268 28.738 -0.102 0.000 1.337 209 Q HN 0.651 nan 8.270 nan 0.000 0.450 210 L N 1.067 122.251 121.223 -0.065 0.000 2.329 210 L HA 0.796 5.136 4.340 -0.000 0.000 0.279 210 L C -1.523 175.285 176.870 -0.103 0.000 1.014 210 L CA -0.249 54.533 54.840 -0.096 0.000 0.814 210 L CB 1.659 43.687 42.059 -0.051 0.000 1.257 210 L HN 0.700 nan 8.230 nan 0.000 0.424 211 A N 4.633 127.309 122.820 -0.241 0.000 2.355 211 A HA 0.768 5.088 4.320 -0.000 0.000 0.317 211 A C -0.999 176.506 177.584 -0.131 0.000 1.094 211 A CA -0.323 51.509 52.037 -0.342 0.000 0.764 211 A CB 1.499 19.847 19.000 -1.087 0.000 1.230 211 A HN 1.036 nan 8.150 nan 0.000 0.448 212 V N -0.424 119.522 119.914 0.052 0.000 2.667 212 V HA 0.814 4.934 4.120 -0.000 0.000 0.308 212 V C -0.964 175.277 176.094 0.244 0.000 1.048 212 V CA -0.705 61.665 62.300 0.117 0.000 0.928 212 V CB 1.835 33.728 31.823 0.117 0.000 1.004 212 V HN 0.794 nan 8.190 nan 0.000 0.444 213 D N 2.770 123.267 120.400 0.162 0.000 2.620 213 D HA 0.661 5.300 4.640 -0.000 0.000 0.252 213 D C 0.365 176.689 176.300 0.040 0.000 1.207 213 D CA 0.018 54.109 54.000 0.150 0.000 0.884 213 D CB 2.062 42.952 40.800 0.150 0.000 1.262 213 D HN 0.857 nan 8.370 nan 0.000 0.552 214 A N 3.756 126.535 122.820 -0.068 0.000 2.275 214 A HA 0.099 4.419 4.320 -0.000 0.000 0.212 214 A C 0.947 178.352 177.584 -0.297 0.000 1.201 214 A CA -0.109 51.709 52.037 -0.365 0.000 0.843 214 A CB -0.387 18.035 19.000 -0.963 0.000 0.873 214 A HN 0.740 nan 8.150 nan 0.000 0.492 215 N N -0.933 117.694 118.700 -0.121 0.000 2.696 215 N HA -0.227 4.513 4.740 -0.000 0.000 0.249 215 N C 0.861 176.286 175.510 -0.142 0.000 1.090 215 N CA 1.259 54.271 53.050 -0.064 0.000 0.716 215 N CB -1.470 37.062 38.487 0.075 0.000 1.020 215 N HN 1.315 nan 8.380 nan 0.000 0.548 216 G N -0.174 108.496 108.800 -0.216 0.000 2.225 216 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.267 216 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.267 216 G C 0.874 175.749 174.900 -0.040 0.000 1.024 216 G CA 1.063 46.046 45.100 -0.195 0.000 0.784 216 G HN 0.566 nan 8.290 nan 0.000 0.507 217 R N -0.752 119.709 120.500 -0.066 0.000 2.173 217 R HA 0.299 4.639 4.340 -0.000 0.000 0.208 217 R C 1.042 177.452 176.300 0.183 0.000 1.035 217 R CA 0.256 56.435 56.100 0.130 0.000 1.004 217 R CB -0.184 30.161 30.300 0.075 0.000 0.917 217 R HN 0.266 nan 8.270 nan 0.000 0.462 218 F N 1.562 121.528 119.950 0.028 0.000 2.418 218 F HA 0.209 4.735 4.527 -0.000 0.000 0.341 218 F C 0.815 176.626 175.800 0.018 0.000 1.120 218 F CA -1.611 56.394 58.000 0.008 0.000 1.232 218 F CB -0.150 38.840 39.000 -0.017 0.000 1.175 218 F HN 0.114 nan 8.300 nan 0.000 0.569 219 N N 1.085 119.921 118.700 0.226 0.000 2.476 219 N HA 0.264 5.004 4.740 -0.000 0.000 0.287 219 N C 0.735 176.311 175.510 0.109 0.000 1.262 219 N CA -0.682 52.442 53.050 0.123 0.000 0.980 219 N CB 0.055 38.589 38.487 0.079 0.000 1.163 219 N HN 0.438 nan 8.380 nan 0.000 0.592 220 L N -0.215 121.050 121.223 0.071 0.000 1.989 220 L HA -0.105 4.234 4.340 -0.000 0.000 0.211 220 L C 1.869 178.753 176.870 0.024 0.000 1.071 220 L CA 1.926 56.802 54.840 0.060 0.000 0.749 220 L CB -0.986 41.105 42.059 0.054 0.000 0.890 220 L HN 0.694 nan 8.230 nan 0.000 0.431 221 E N -1.286 118.915 120.200 0.001 0.000 2.077 221 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 221 E C 1.939 178.508 176.600 -0.050 0.000 0.989 221 E CA 1.823 58.199 56.400 -0.040 0.000 0.800 221 E CB -0.220 29.462 29.700 -0.030 0.000 0.746 221 E HN 0.573 nan 8.360 nan 0.000 0.452 222 T N 0.092 114.622 114.554 -0.041 0.000 2.777 222 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 222 T C 1.904 176.521 174.700 -0.139 0.000 1.040 222 T CA 1.166 63.187 62.100 -0.130 0.000 1.141 222 T CB -0.555 68.177 68.868 -0.225 0.000 0.868 222 T HN 0.365 nan 8.240 nan 0.000 0.444 223 G N 1.311 110.131 108.800 0.033 0.000 2.442 223 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 223 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 223 G C 1.517 176.546 174.900 0.214 0.000 1.141 223 G CA 0.537 45.787 45.100 0.250 0.000 0.763 223 G HN 0.494 nan 8.290 nan 0.000 0.554 224 I N 1.096 121.690 120.570 0.040 0.000 2.353 224 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 224 I C 3.271 179.357 176.117 -0.052 0.000 1.119 224 I CA 0.747 61.986 61.300 -0.102 0.000 1.417 224 I CB -0.213 37.523 38.000 -0.440 0.000 1.078 224 I HN 0.248 nan 8.210 nan 0.000 0.421 225 A N 0.459 123.252 122.820 -0.044 0.000 1.858 225 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 225 A C 2.176 179.749 177.584 -0.019 0.000 1.190 225 A CA 1.613 53.617 52.037 -0.055 0.000 0.617 225 A CB -1.146 17.804 19.000 -0.082 0.000 0.827 225 A HN 0.396 nan 8.150 nan 0.000 0.443 226 Y N -0.137 120.108 120.300 -0.092 0.000 2.274 226 Y HA -0.091 4.458 4.550 -0.000 0.000 0.290 226 Y C 2.842 178.732 175.900 -0.017 0.000 1.145 226 Y CA 0.924 58.993 58.100 -0.052 0.000 1.203 226 Y CB -0.205 38.242 38.460 -0.022 0.000 0.984 226 Y HN 0.368 nan 8.280 nan 0.000 0.533 227 A N 0.254 123.219 122.820 0.241 0.000 1.877 227 A HA -0.219 4.100 4.320 -0.000 0.000 0.216 227 A C 2.129 179.895 177.584 0.303 0.000 1.186 227 A CA 1.836 54.059 52.037 0.309 0.000 0.620 227 A CB -0.476 18.794 19.000 0.451 0.000 0.822 227 A HN 0.382 nan 8.150 nan 0.000 0.443 228 K N -1.162 119.347 120.400 0.183 0.000 2.147 228 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 228 K C 2.130 178.782 176.600 0.086 0.000 1.049 228 K CA 1.441 57.806 56.287 0.129 0.000 0.936 228 K CB -0.206 32.330 32.500 0.060 0.000 0.722 228 K HN 0.520 nan 8.250 nan 0.000 0.446 229 M N 0.515 120.152 119.600 0.061 0.000 2.160 229 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 229 M C 1.718 178.133 176.300 0.191 0.000 1.073 229 M CA 1.410 56.748 55.300 0.064 0.000 1.142 229 M CB -0.180 32.395 32.600 -0.040 0.000 1.358 229 M HN 0.056 nan 8.290 nan 0.000 0.422 230 L N 1.383 122.729 121.223 0.205 0.000 2.093 230 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 230 L C 2.642 179.738 176.870 0.376 0.000 1.085 230 L CA 1.764 56.787 54.840 0.305 0.000 0.755 230 L CB -1.171 40.925 42.059 0.062 0.000 0.904 230 L HN 0.450 nan 8.230 nan 0.000 0.435 231 R N -1.111 119.580 120.500 0.319 0.000 2.293 231 R HA -0.115 4.224 4.340 -0.000 0.000 0.219 231 R C 0.877 177.172 176.300 -0.009 0.000 1.091 231 R CA 1.298 57.469 56.100 0.119 0.000 1.004 231 R CB -0.584 29.754 30.300 0.063 0.000 0.865 231 R HN 0.286 nan 8.270 nan 0.000 0.469 232 D N -0.065 120.274 120.400 -0.101 0.000 2.355 232 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 232 D C -0.384 175.646 176.300 -0.450 0.000 1.004 232 D CA 0.727 54.537 54.000 -0.316 0.000 0.880 232 D CB 0.083 40.603 40.800 -0.468 0.000 0.911 232 D HN 0.223 nan 8.370 nan 0.000 0.528 233 Y N 0.194 120.523 120.300 0.047 0.000 2.446 233 Y HA 0.311 4.860 4.550 -0.000 0.000 0.338 233 Y C -1.730 174.206 175.900 0.059 0.000 1.055 233 Y CA -2.684 55.446 58.100 0.050 0.000 1.101 233 Y CB 1.097 39.591 38.460 0.056 0.000 1.221 233 Y HN -0.221 nan 8.280 nan 0.000 0.460 234 P HA 0.078 nan 4.420 nan 0.000 0.226 234 P C -0.785 176.623 177.300 0.180 0.000 1.783 234 P CA 0.037 63.227 63.100 0.150 0.000 0.980 234 P CB -0.255 31.515 31.700 0.117 0.000 1.967 235 L N 0.657 122.010 121.223 0.216 0.000 2.452 235 L HA 0.137 4.477 4.340 -0.000 0.000 0.267 235 L C 1.789 178.823 176.870 0.272 0.000 1.188 235 L CA -0.010 54.967 54.840 0.229 0.000 0.821 235 L CB -0.786 41.437 42.059 0.273 0.000 1.102 235 L HN 0.057 nan 8.230 nan 0.000 0.470 236 F N 1.876 121.852 119.950 0.043 0.000 2.163 236 F HA 0.009 4.536 4.527 -0.000 0.000 0.297 236 F C 0.203 176.178 175.800 0.292 0.000 1.094 236 F CA 0.750 58.776 58.000 0.043 0.000 1.290 236 F CB 0.247 39.101 39.000 -0.243 0.000 1.017 236 F HN 0.557 nan 8.300 nan 0.000 0.483 237 W N -1.774 119.678 121.300 0.254 0.000 3.161 237 W HA 0.357 5.017 4.660 -0.000 0.000 0.314 237 W C -2.417 174.289 176.519 0.312 0.000 1.245 237 W CA -2.214 55.284 57.345 0.256 0.000 1.191 237 W CB -0.449 29.119 29.460 0.180 0.000 1.392 237 W HN -0.131 nan 8.180 nan 0.000 0.568 238 Y N 3.289 123.914 120.300 0.541 0.000 2.402 238 Y HA 0.509 5.059 4.550 -0.000 0.000 0.332 238 Y C -0.323 175.692 175.900 0.191 0.000 0.960 238 Y CA -2.037 56.207 58.100 0.239 0.000 1.228 238 Y CB 0.767 39.089 38.460 -0.230 0.000 1.120 238 Y HN 0.676 nan 8.280 nan 0.000 0.491 239 E N 4.203 124.643 120.200 0.401 0.000 2.266 239 E HA 0.186 4.536 4.350 -0.000 0.000 0.277 239 E C -0.471 176.077 176.600 -0.086 0.000 1.018 239 E CA -0.488 55.960 56.400 0.080 0.000 0.840 239 E CB 0.694 30.536 29.700 0.237 0.000 1.082 239 E HN 0.735 nan 8.360 nan 0.000 0.395 240 E N 2.616 122.713 120.200 -0.173 0.000 2.173 240 E HA -0.242 4.108 4.350 -0.000 0.000 0.160 240 E C 0.286 176.718 176.600 -0.279 0.000 1.581 240 E CA 0.127 56.405 56.400 -0.203 0.000 0.618 240 E CB -0.616 28.992 29.700 -0.154 0.000 1.049 240 E HN 0.500 nan 8.360 nan 0.000 0.311 241 V N 1.558 121.250 119.914 -0.370 0.000 2.223 241 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 241 V C 1.566 177.529 176.094 -0.218 0.000 1.045 241 V CA 2.184 64.253 62.300 -0.385 0.000 1.000 241 V CB -0.495 31.064 31.823 -0.441 0.000 0.635 241 V HN 0.600 nan 8.190 nan 0.000 0.445 242 G N -1.291 107.431 108.800 -0.130 0.000 2.938 242 G HA2 0.315 4.275 3.960 -0.000 0.000 0.258 242 G HA3 0.315 4.275 3.960 -0.000 0.000 0.258 242 G C -1.085 173.758 174.900 -0.096 0.000 1.356 242 G CA -0.312 44.756 45.100 -0.054 0.000 1.052 242 G HN 0.240 nan 8.290 nan 0.000 0.550 243 D N -0.133 120.228 120.400 -0.066 0.000 2.506 243 D HA 0.020 4.659 4.640 -0.000 0.000 0.234 243 D C -1.125 175.071 176.300 -0.173 0.000 1.143 243 D CA -0.911 53.025 54.000 -0.107 0.000 0.871 243 D CB 1.610 42.367 40.800 -0.072 0.000 1.190 243 D HN -0.110 nan 8.370 nan 0.000 0.459 244 P HA -0.097 nan 4.420 nan 0.000 0.218 244 P C 1.067 178.191 177.300 -0.294 0.000 1.146 244 P CA 1.042 64.016 63.100 -0.211 0.000 0.813 244 P CB 0.173 31.743 31.700 -0.218 0.000 0.778 245 L N -1.900 119.099 121.223 -0.374 0.000 2.640 245 L HA 0.170 4.510 4.340 -0.000 0.000 0.230 245 L C 0.891 177.260 176.870 -0.835 0.000 1.123 245 L CA 0.073 54.506 54.840 -0.678 0.000 0.900 245 L CB -0.169 41.679 42.059 -0.353 0.000 1.146 245 L HN -0.160 nan 8.230 nan 0.000 0.484 246 D N -0.383 119.734 120.400 -0.471 0.000 2.619 246 D HA -0.003 4.637 4.640 -0.000 0.000 0.224 246 D C 0.964 177.152 176.300 -0.188 0.000 1.133 246 D CA -0.248 53.585 54.000 -0.280 0.000 1.017 246 D CB 0.279 41.005 40.800 -0.124 0.000 1.077 246 D HN 0.107 nan 8.370 nan 0.000 0.503 247 Y N 1.135 121.448 120.300 0.022 0.000 2.256 247 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 247 Y C 2.464 178.400 175.900 0.060 0.000 1.155 247 Y CA 1.056 59.187 58.100 0.052 0.000 1.203 247 Y CB -0.786 37.746 38.460 0.121 0.000 0.980 247 Y HN 0.406 nan 8.280 nan 0.000 0.530 248 A N -0.054 122.869 122.820 0.172 0.000 1.930 248 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 248 A C 2.320 179.966 177.584 0.103 0.000 1.175 248 A CA 1.350 53.462 52.037 0.126 0.000 0.627 248 A CB -0.995 18.052 19.000 0.079 0.000 0.815 248 A HN 0.529 nan 8.150 nan 0.000 0.443 249 L N -0.917 120.350 121.223 0.072 0.000 2.005 249 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 249 L C 2.708 179.628 176.870 0.082 0.000 1.072 249 L CA 2.362 57.244 54.840 0.069 0.000 0.744 249 L CB -0.370 41.710 42.059 0.036 0.000 0.895 249 L HN 0.471 nan 8.230 nan 0.000 0.433 250 Q N 0.311 120.152 119.800 0.068 0.000 2.112 250 Q HA -0.253 4.087 4.340 -0.000 0.000 0.206 250 Q C 2.025 178.085 176.000 0.100 0.000 0.987 250 Q CA 2.543 58.385 55.803 0.064 0.000 0.858 250 Q CB -0.502 28.279 28.738 0.073 0.000 0.905 250 Q HN 0.630 nan 8.270 nan 0.000 0.420 251 A N 0.079 122.972 122.820 0.122 0.000 1.902 251 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 251 A C 2.271 179.928 177.584 0.121 0.000 1.181 251 A CA 1.857 53.965 52.037 0.120 0.000 0.623 251 A CB -1.135 17.942 19.000 0.128 0.000 0.818 251 A HN 0.541 nan 8.150 nan 0.000 0.443 252 A N -1.068 121.835 122.820 0.138 0.000 2.067 252 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 252 A C 1.890 179.630 177.584 0.260 0.000 1.158 252 A CA 1.389 53.532 52.037 0.177 0.000 0.661 252 A CB -0.397 18.719 19.000 0.193 0.000 0.801 252 A HN 0.383 nan 8.150 nan 0.000 0.452 253 L N -0.675 120.692 121.223 0.241 0.000 2.217 253 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 253 L C 2.833 179.882 176.870 0.299 0.000 1.107 253 L CA 1.431 56.464 54.840 0.323 0.000 0.783 253 L CB -0.954 41.225 42.059 0.200 0.000 0.919 253 L HN 0.397 nan 8.230 nan 0.000 0.442 254 A N -0.703 122.225 122.820 0.179 0.000 1.986 254 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 254 A C 2.306 179.915 177.584 0.042 0.000 1.171 254 A CA 1.871 53.983 52.037 0.125 0.000 0.640 254 A CB -0.580 18.464 19.000 0.073 0.000 0.811 254 A HN 0.572 nan 8.150 nan 0.000 0.451 255 E N -1.676 118.475 120.200 -0.081 0.000 2.274 255 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 255 E C 0.897 177.192 176.600 -0.508 0.000 0.996 255 E CA 1.000 57.176 56.400 -0.374 0.000 0.840 255 E CB -0.114 29.203 29.700 -0.639 0.000 0.772 255 E HN 0.668 nan 8.360 nan 0.000 0.491 256 F N -1.362 118.678 119.950 0.151 0.000 2.724 256 F HA 0.227 4.754 4.527 -0.000 0.000 0.306 256 F C -0.060 175.898 175.800 0.264 0.000 1.100 256 F CA -0.343 57.765 58.000 0.179 0.000 1.255 256 F CB 0.619 39.733 39.000 0.190 0.000 1.072 256 F HN -0.074 nan 8.300 nan 0.000 0.589 257 Y N 1.832 122.289 120.300 0.262 0.000 2.594 257 Y HA 0.404 4.954 4.550 -0.000 0.000 0.338 257 Y C -2.267 173.728 175.900 0.158 0.000 1.019 257 Y CA -2.926 55.319 58.100 0.242 0.000 1.306 257 Y CB 1.100 39.773 38.460 0.355 0.000 1.094 257 Y HN -0.142 nan 8.280 nan 0.000 0.534 258 P HA -0.005 nan 4.420 nan 0.000 0.218 258 P C 0.749 177.971 177.300 -0.131 0.000 1.149 258 P CA 1.019 64.063 63.100 -0.094 0.000 0.817 258 P CB 0.301 31.937 31.700 -0.107 0.000 0.785 259 G N 1.418 109.995 108.800 -0.372 0.000 2.594 259 G HA2 0.233 4.192 3.960 -0.000 0.000 0.243 259 G HA3 0.233 4.192 3.960 -0.000 0.000 0.243 259 G C -2.353 172.633 174.900 0.143 0.000 1.229 259 G CA -0.904 44.076 45.100 -0.201 0.000 0.843 259 G HN 0.046 nan 8.290 nan 0.000 0.578 260 P HA 0.019 nan 4.420 nan 0.000 0.265 260 P C -0.276 177.288 177.300 0.440 0.000 1.193 260 P CA 0.687 63.931 63.100 0.240 0.000 0.765 260 P CB 0.674 32.486 31.700 0.186 0.000 0.823 261 M N 1.715 121.486 119.600 0.285 0.000 2.724 261 M HA 0.730 5.210 4.480 -0.000 0.000 0.310 261 M C -0.191 176.127 176.300 0.029 0.000 1.217 261 M CA -0.836 54.584 55.300 0.199 0.000 0.894 261 M CB 2.660 35.324 32.600 0.106 0.000 1.719 261 M HN 0.354 nan 8.290 nan 0.000 0.479 262 A N 0.578 123.310 122.820 -0.147 0.000 2.587 262 A HA 0.924 5.244 4.320 -0.000 0.000 0.293 262 A C -0.846 176.570 177.584 -0.280 0.000 1.087 262 A CA -0.542 51.300 52.037 -0.325 0.000 0.692 262 A CB 2.309 20.772 19.000 -0.895 0.000 1.291 262 A HN 0.768 nan 8.150 nan 0.000 0.407 263 T N -1.500 112.882 114.554 -0.286 0.000 2.676 263 T HA 0.575 4.925 4.350 -0.000 0.000 0.308 263 T C 0.441 174.955 174.700 -0.309 0.000 1.740 263 T CA 0.954 62.909 62.100 -0.242 0.000 0.982 263 T CB 0.545 69.306 68.868 -0.179 0.000 1.724 263 T HN 2.645 nan 8.240 nan 0.000 0.497 264 G N 1.107 109.762 108.800 -0.243 0.000 2.284 264 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.201 264 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.201 264 G C 0.777 175.595 174.900 -0.137 0.000 0.998 264 G CA 1.258 46.205 45.100 -0.254 0.000 0.651 264 G HN 1.091 nan 8.290 nan 0.000 0.489 265 E N 0.441 120.547 120.200 -0.157 0.000 2.209 265 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 265 E C 1.316 177.760 176.600 -0.260 0.000 0.993 265 E CA 1.272 57.582 56.400 -0.150 0.000 0.819 265 E CB -0.227 29.329 29.700 -0.240 0.000 0.745 265 E HN 0.410 nan 8.360 nan 0.000 0.477 266 N N 0.543 119.019 118.700 -0.373 0.000 2.251 266 N HA 0.197 4.937 4.740 -0.000 0.000 0.217 266 N C -0.659 174.182 175.510 -1.116 0.000 1.124 266 N CA 0.151 52.784 53.050 -0.695 0.000 0.843 266 N CB 0.659 38.944 38.487 -0.336 0.000 1.024 266 N HN 0.204 nan 8.380 nan 0.000 0.501 267 L N 0.634 121.383 121.223 -0.789 0.000 2.287 267 L HA 0.399 4.739 4.340 -0.000 0.000 0.287 267 L C -0.216 176.321 176.870 -0.555 0.000 1.022 267 L CA -0.549 53.990 54.840 -0.502 0.000 0.814 267 L CB 0.702 42.736 42.059 -0.042 0.000 1.217 267 L HN -0.070 nan 8.230 nan 0.000 0.420 268 F N 0.795 120.787 119.950 0.070 0.000 2.772 268 F HA 0.227 4.754 4.527 -0.000 0.000 0.302 268 F C 0.781 176.620 175.800 0.064 0.000 1.136 268 F CA -0.493 57.543 58.000 0.061 0.000 1.322 268 F CB 0.305 39.326 39.000 0.035 0.000 0.967 268 F HN 0.410 nan 8.300 nan 0.000 0.513 269 S N -2.548 113.164 115.700 0.020 0.000 2.565 269 S HA 0.262 4.732 4.470 -0.000 0.000 0.269 269 S C 0.348 174.787 174.600 -0.267 0.000 1.153 269 S CA -0.607 57.507 58.200 -0.144 0.000 0.835 269 S CB 0.863 63.689 63.200 -0.624 0.000 1.122 269 S HN 0.351 nan 8.310 nan 0.000 0.462 270 H N 0.523 119.435 119.070 -0.263 0.000 2.457 270 H HA 0.066 4.622 4.556 -0.000 0.000 0.294 270 H C 1.534 176.710 175.328 -0.255 0.000 1.064 270 H CA 1.830 57.693 56.048 -0.308 0.000 1.330 270 H CB -0.330 29.283 29.762 -0.249 0.000 1.395 270 H HN 0.565 nan 8.280 nan 0.000 0.541 271 Q N 0.625 120.001 119.800 -0.707 0.000 2.079 271 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 271 Q C 1.710 177.584 176.000 -0.211 0.000 0.974 271 Q CA 1.568 57.118 55.803 -0.421 0.000 0.840 271 Q CB 0.089 28.636 28.738 -0.317 0.000 0.898 271 Q HN 0.577 nan 8.270 nan 0.000 0.430 272 D N -0.183 120.112 120.400 -0.175 0.000 2.149 272 D HA -0.064 4.576 4.640 -0.000 0.000 0.201 272 D C 1.687 177.894 176.300 -0.156 0.000 0.972 272 D CA 1.209 55.171 54.000 -0.064 0.000 0.835 272 D CB -0.039 40.758 40.800 -0.005 0.000 0.966 272 D HN 0.268 nan 8.370 nan 0.000 0.476 273 A N 1.169 123.786 122.820 -0.339 0.000 1.902 273 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 273 A C 2.187 179.541 177.584 -0.383 0.000 1.181 273 A CA 1.428 53.171 52.037 -0.490 0.000 0.623 273 A CB -0.495 17.885 19.000 -1.034 0.000 0.818 273 A HN 0.112 nan 8.150 nan 0.000 0.443 274 R N -0.260 120.032 120.500 -0.347 0.000 2.096 274 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 274 R C 1.671 177.684 176.300 -0.478 0.000 1.127 274 R CA 1.711 57.585 56.100 -0.376 0.000 0.968 274 R CB -0.274 29.911 30.300 -0.191 0.000 0.861 274 R HN 0.507 nan 8.270 nan 0.000 0.440 275 N N 0.789 119.260 118.700 -0.383 0.000 2.188 275 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 275 N C 1.657 176.615 175.510 -0.919 0.000 1.018 275 N CA 0.883 53.640 53.050 -0.489 0.000 0.858 275 N CB -0.257 38.102 38.487 -0.213 0.000 0.989 275 N HN 0.194 nan 8.380 nan 0.000 0.426 276 L N 1.243 121.996 121.223 -0.784 0.000 2.046 276 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 276 L C 1.910 178.493 176.870 -0.478 0.000 1.077 276 L CA 1.381 55.861 54.840 -0.601 0.000 0.747 276 L CB -0.604 41.370 42.059 -0.141 0.000 0.896 276 L HN 0.093 nan 8.230 nan 0.000 0.432 277 L N -1.049 119.844 121.223 -0.551 0.000 2.201 277 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 277 L C 2.670 179.228 176.870 -0.520 0.000 1.105 277 L CA 0.939 55.439 54.840 -0.566 0.000 0.775 277 L CB -0.458 41.120 42.059 -0.801 0.000 0.913 277 L HN 0.272 nan 8.230 nan 0.000 0.440 278 R N -1.217 118.846 120.500 -0.728 0.000 2.100 278 R HA -0.049 4.291 4.340 -0.000 0.000 0.220 278 R C 1.519 177.359 176.300 -0.767 0.000 1.091 278 R CA 1.130 56.745 56.100 -0.809 0.000 0.986 278 R CB 0.112 29.628 30.300 -1.306 0.000 0.888 278 R HN 0.297 nan 8.270 nan 0.000 0.444 279 Y N -2.335 117.830 120.300 -0.224 0.000 2.430 279 Y HA 0.332 4.882 4.550 -0.000 0.000 0.254 279 Y C 2.029 177.925 175.900 -0.007 0.000 1.088 279 Y CA -0.137 57.905 58.100 -0.098 0.000 1.267 279 Y CB -0.231 38.186 38.460 -0.072 0.000 1.204 279 Y HN 0.015 nan 8.280 nan 0.000 0.515 280 G N 0.280 109.105 108.800 0.042 0.000 2.509 280 G HA2 0.098 4.058 3.960 -0.000 0.000 0.218 280 G HA3 0.098 4.058 3.960 -0.000 0.000 0.218 280 G C 1.679 176.648 174.900 0.115 0.000 1.124 280 G CA 0.641 45.821 45.100 0.132 0.000 0.776 280 G HN 0.602 nan 8.290 nan 0.000 0.547 281 G N -0.290 108.567 108.800 0.095 0.000 2.225 281 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.267 281 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.267 281 G C 0.431 175.400 174.900 0.116 0.000 1.024 281 G CA 0.598 45.758 45.100 0.101 0.000 0.784 281 G HN 0.475 nan 8.290 nan 0.000 0.507 282 M N -1.010 118.687 119.600 0.163 0.000 2.228 282 M HA 0.458 4.938 4.480 -0.000 0.000 0.326 282 M C 0.811 177.231 176.300 0.198 0.000 1.122 282 M CA -0.197 55.231 55.300 0.214 0.000 1.161 282 M CB 0.652 33.428 32.600 0.292 0.000 1.437 282 M HN 0.050 nan 8.290 nan 0.000 0.465 283 R N 2.543 123.082 120.500 0.066 0.000 2.204 283 R HA 0.227 4.567 4.340 -0.000 0.000 0.341 283 R C -1.755 174.292 176.300 -0.422 0.000 1.035 283 R CA -1.620 54.400 56.100 -0.133 0.000 0.887 283 R CB -0.108 30.126 30.300 -0.110 0.000 1.114 283 R HN 0.364 nan 8.270 nan 0.000 0.473 284 P HA -0.164 nan 4.420 nan 0.000 0.228 284 P C -0.113 176.665 177.300 -0.869 0.000 1.151 284 P CA 1.023 63.143 63.100 -1.634 0.000 0.770 284 P CB 0.423 31.036 31.700 -1.811 0.000 0.786 285 D N 0.333 120.407 120.400 -0.543 0.000 2.333 285 D HA -0.109 4.530 4.640 -0.000 0.000 0.208 285 D C 1.662 177.732 176.300 -0.384 0.000 0.984 285 D CA 0.644 54.411 54.000 -0.389 0.000 0.873 285 D CB -0.398 40.239 40.800 -0.271 0.000 0.935 285 D HN 0.355 nan 8.370 nan 0.000 0.521 286 R N -1.130 119.123 120.500 -0.413 0.000 2.591 286 R HA 0.233 4.572 4.340 -0.000 0.000 0.288 286 R C -0.417 175.533 176.300 -0.583 0.000 0.947 286 R CA -0.502 55.332 56.100 -0.442 0.000 1.085 286 R CB 0.134 30.285 30.300 -0.247 0.000 1.618 286 R HN -0.148 nan 8.270 nan 0.000 0.524 287 D N 0.836 120.978 120.400 -0.430 0.000 2.383 287 D HA 0.216 4.856 4.640 -0.000 0.000 0.248 287 D C -0.786 175.223 176.300 -0.486 0.000 1.170 287 D CA 0.198 54.013 54.000 -0.309 0.000 0.977 287 D CB 0.638 41.450 40.800 0.021 0.000 1.120 287 D HN 0.048 nan 8.370 nan 0.000 0.481 288 W N -0.026 121.205 121.300 -0.116 0.000 2.785 288 W HA 0.486 5.146 4.660 -0.000 0.000 0.333 288 W C -0.622 175.702 176.519 -0.324 0.000 1.062 288 W CA -0.741 56.479 57.345 -0.208 0.000 1.233 288 W CB 0.899 30.087 29.460 -0.453 0.000 1.413 288 W HN -0.079 nan 8.180 nan 0.000 0.489 289 L N 2.867 124.027 121.223 -0.105 0.000 2.272 289 L HA 0.359 4.699 4.340 -0.000 0.000 0.289 289 L C 0.476 177.060 176.870 -0.477 0.000 1.032 289 L CA -0.605 53.917 54.840 -0.530 0.000 0.810 289 L CB 1.170 42.817 42.059 -0.687 0.000 1.205 289 L HN 0.539 nan 8.230 nan 0.000 0.422 290 Q N 2.860 122.325 119.800 -0.558 0.000 2.225 290 Q HA 0.259 4.598 4.340 -0.000 0.000 0.259 290 Q C -0.828 175.121 176.000 -0.086 0.000 0.872 290 Q CA -0.449 55.215 55.803 -0.232 0.000 1.042 290 Q CB 0.173 28.836 28.738 -0.126 0.000 1.142 290 Q HN 0.418 nan 8.270 nan 0.000 0.463 291 F N 1.444 121.458 119.950 0.106 0.000 2.607 291 F HA -0.001 4.526 4.527 -0.000 0.000 0.374 291 F C 0.852 176.829 175.800 0.295 0.000 1.104 291 F CA -0.495 57.600 58.000 0.160 0.000 1.296 291 F CB 0.196 39.282 39.000 0.142 0.000 1.085 291 F HN -0.000 nan 8.300 nan 0.000 0.584 292 D N 2.315 123.002 120.400 0.477 0.000 2.440 292 D HA 0.173 4.813 4.640 -0.000 0.000 0.239 292 D C 0.825 177.351 176.300 0.377 0.000 1.084 292 D CA -0.729 53.517 54.000 0.410 0.000 0.843 292 D CB 1.059 42.150 40.800 0.484 0.000 1.097 292 D HN 0.650 nan 8.370 nan 0.000 0.531 293 C N 3.297 122.752 119.300 0.258 0.000 2.411 293 C HA 0.043 4.503 4.460 -0.000 0.000 0.279 293 C C 2.443 177.525 174.990 0.153 0.000 1.288 293 C CA 0.867 60.010 59.018 0.209 0.000 1.764 293 C CB -1.328 26.402 27.740 -0.016 0.000 1.974 293 C HN 0.606 nan 8.230 nan 0.000 0.498 294 A N 0.941 123.835 122.820 0.123 0.000 2.019 294 A HA 0.125 4.445 4.320 -0.000 0.000 0.219 294 A C 2.139 179.718 177.584 -0.009 0.000 1.164 294 A CA 1.678 53.695 52.037 -0.033 0.000 0.644 294 A CB -0.526 18.337 19.000 -0.229 0.000 0.805 294 A HN 0.758 nan 8.150 nan 0.000 0.449 295 L N -1.086 120.184 121.223 0.078 0.000 2.693 295 L HA 0.177 4.517 4.340 -0.000 0.000 0.235 295 L C 0.302 177.136 176.870 -0.060 0.000 1.127 295 L CA 0.065 54.863 54.840 -0.070 0.000 0.914 295 L CB 0.517 42.572 42.059 -0.007 0.000 1.193 295 L HN 0.129 nan 8.230 nan 0.000 0.502 296 S N -0.764 115.013 115.700 0.128 0.000 2.422 296 S HA 0.280 4.749 4.470 -0.000 0.000 0.226 296 S C -0.435 174.346 174.600 0.301 0.000 1.242 296 S CA -0.477 57.851 58.200 0.214 0.000 1.231 296 S CB -0.054 63.366 63.200 0.367 0.000 1.067 296 S HN 0.352 nan 8.310 nan 0.000 0.462 297 Y N 0.300 120.708 120.300 0.180 0.000 4.409 297 Y HA -0.251 4.298 4.550 -0.000 0.000 0.228 297 Y C 1.171 177.306 175.900 0.392 0.000 1.108 297 Y CA 0.926 59.207 58.100 0.302 0.000 1.955 297 Y CB -2.110 36.629 38.460 0.465 0.000 1.615 297 Y HN 0.825 nan 8.280 nan 0.000 0.665 298 G N -0.446 108.552 108.800 0.331 0.000 2.750 298 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.228 298 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.228 298 G C 0.325 175.348 174.900 0.205 0.000 1.367 298 G CA -0.207 45.054 45.100 0.267 0.000 0.871 298 G HN 0.798 nan 8.290 nan 0.000 0.560 299 L N -0.019 121.255 121.223 0.086 0.000 2.141 299 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 299 L C 2.999 179.882 176.870 0.022 0.000 1.094 299 L CA 2.944 57.730 54.840 -0.090 0.000 0.763 299 L CB -0.907 40.758 42.059 -0.657 0.000 0.908 299 L HN 0.754 nan 8.230 nan 0.000 0.437 300 C N -0.314 119.078 119.300 0.153 0.000 2.425 300 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 300 C C 2.707 177.513 174.990 -0.306 0.000 1.280 300 C CA 1.068 60.055 59.018 -0.051 0.000 1.744 300 C CB -0.778 26.753 27.740 -0.348 0.000 1.989 300 C HN 0.673 nan 8.230 nan 0.000 0.491 301 E N -0.369 119.693 120.200 -0.230 0.000 2.112 301 E HA -0.138 4.211 4.350 -0.000 0.000 0.190 301 E C 1.859 178.441 176.600 -0.030 0.000 0.979 301 E CA 0.984 57.291 56.400 -0.155 0.000 0.814 301 E CB -0.587 29.194 29.700 0.134 0.000 0.762 301 E HN 0.669 nan 8.360 nan 0.000 0.460 302 Y N 1.382 121.652 120.300 -0.049 0.000 2.207 302 Y HA -0.237 4.313 4.550 -0.000 0.000 0.287 302 Y C 2.024 177.885 175.900 -0.065 0.000 1.156 302 Y CA 2.179 60.257 58.100 -0.036 0.000 1.182 302 Y CB 0.011 38.462 38.460 -0.015 0.000 0.979 302 Y HN 0.161 nan 8.280 nan 0.000 0.521 303 Q N -0.616 119.206 119.800 0.036 0.000 2.170 303 Q HA -0.198 4.141 4.340 -0.000 0.000 0.203 303 Q C 2.275 178.209 176.000 -0.111 0.000 0.976 303 Q CA 1.427 57.231 55.803 0.002 0.000 0.858 303 Q CB -0.156 28.616 28.738 0.056 0.000 0.907 303 Q HN 0.498 nan 8.270 nan 0.000 0.433 304 R N -0.363 120.015 120.500 -0.202 0.000 2.090 304 R HA -0.042 4.297 4.340 -0.000 0.000 0.228 304 R C 2.275 178.406 176.300 -0.282 0.000 1.110 304 R CA 1.415 57.327 56.100 -0.312 0.000 0.973 304 R CB -0.120 29.855 30.300 -0.542 0.000 0.869 304 R HN 0.176 nan 8.270 nan 0.000 0.440 305 T N 1.647 116.033 114.554 -0.280 0.000 2.746 305 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 305 T C 1.830 176.350 174.700 -0.300 0.000 1.039 305 T CA 0.943 62.839 62.100 -0.340 0.000 1.142 305 T CB -0.098 68.440 68.868 -0.549 0.000 0.866 305 T HN 0.130 nan 8.240 nan 0.000 0.444 306 L N 0.687 121.730 121.223 -0.300 0.000 2.083 306 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 306 L C 2.787 179.612 176.870 -0.075 0.000 1.083 306 L CA 1.190 55.931 54.840 -0.165 0.000 0.752 306 L CB -0.405 41.597 42.059 -0.095 0.000 0.899 306 L HN 0.208 nan 8.230 nan 0.000 0.433 307 E N 0.004 120.150 120.200 -0.089 0.000 2.106 307 E HA -0.153 4.196 4.350 -0.000 0.000 0.192 307 E C 2.103 178.679 176.600 -0.039 0.000 0.984 307 E CA 1.011 57.376 56.400 -0.058 0.000 0.806 307 E CB -0.123 29.522 29.700 -0.092 0.000 0.750 307 E HN 0.191 nan 8.360 nan 0.000 0.458 308 V N 0.807 120.684 119.914 -0.062 0.000 2.343 308 V HA -0.251 3.868 4.120 -0.000 0.000 0.247 308 V C 2.407 178.544 176.094 0.071 0.000 1.051 308 V CA 1.476 63.779 62.300 0.006 0.000 1.036 308 V CB -0.479 31.306 31.823 -0.063 0.000 0.654 308 V HN 0.339 nan 8.190 nan 0.000 0.451 309 L N -0.445 120.781 121.223 0.005 0.000 2.042 309 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 309 L C 2.572 179.540 176.870 0.163 0.000 1.076 309 L CA 1.960 56.850 54.840 0.084 0.000 0.749 309 L CB -0.872 41.238 42.059 0.086 0.000 0.893 309 L HN 0.358 nan 8.230 nan 0.000 0.432 310 K N -0.379 120.074 120.400 0.088 0.000 2.032 310 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 310 K C 1.975 178.601 176.600 0.043 0.000 1.048 310 K CA 1.880 58.206 56.287 0.066 0.000 0.927 310 K CB -0.229 32.289 32.500 0.030 0.000 0.712 310 K HN 0.265 nan 8.250 nan 0.000 0.441 311 T N 0.072 114.638 114.554 0.020 0.000 2.929 311 T HA -0.101 4.249 4.350 -0.000 0.000 0.271 311 T C 1.020 175.576 174.700 -0.240 0.000 1.085 311 T CA 0.974 63.017 62.100 -0.096 0.000 1.125 311 T CB -0.115 68.687 68.868 -0.110 0.000 0.874 311 T HN 0.305 nan 8.240 nan 0.000 0.494 312 H N -0.665 118.440 119.070 0.058 0.000 2.672 312 H HA 0.358 4.914 4.556 -0.000 0.000 0.277 312 H C 1.710 177.161 175.328 0.205 0.000 1.074 312 H CA 0.357 56.475 56.048 0.117 0.000 1.173 312 H CB 0.570 30.399 29.762 0.111 0.000 1.558 312 H HN 0.465 nan 8.280 nan 0.000 0.539 313 G N 0.952 109.869 108.800 0.194 0.000 2.136 313 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 313 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 313 G C -0.473 174.471 174.900 0.073 0.000 0.989 313 G CA -0.056 45.101 45.100 0.095 0.000 0.682 313 G HN 0.240 nan 8.290 nan 0.000 0.522 314 W N 0.529 121.831 121.300 0.003 0.000 2.449 314 W HA 0.704 5.364 4.660 -0.000 0.000 0.331 314 W C 0.738 177.250 176.519 -0.013 0.000 1.119 314 W CA -0.211 57.125 57.345 -0.015 0.000 1.240 314 W CB 1.571 31.027 29.460 -0.008 0.000 1.251 314 W HN 0.235 nan 8.180 nan 0.000 0.576 315 S N 2.702 118.503 115.700 0.168 0.000 2.554 315 S HA 0.305 4.775 4.470 -0.000 0.000 0.278 315 S C -1.568 173.132 174.600 0.167 0.000 1.242 315 S CA -1.402 56.866 58.200 0.113 0.000 1.051 315 S CB 1.086 64.304 63.200 0.030 0.000 0.986 315 S HN 0.215 nan 8.310 nan 0.000 0.502 316 P HA -0.051 nan 4.420 nan 0.000 0.225 316 P C 1.243 178.649 177.300 0.177 0.000 1.148 316 P CA 0.801 63.991 63.100 0.150 0.000 0.779 316 P CB -0.048 31.721 31.700 0.115 0.000 0.780 317 S N -1.262 114.529 115.700 0.151 0.000 2.547 317 S HA -0.026 4.444 4.470 -0.000 0.000 0.235 317 S C 1.676 176.414 174.600 0.231 0.000 0.980 317 S CA 0.411 58.717 58.200 0.177 0.000 0.941 317 S CB -0.649 62.623 63.200 0.120 0.000 0.763 317 S HN 0.024 nan 8.310 nan 0.000 0.532 318 R N 0.177 120.799 120.500 0.202 0.000 2.310 318 R HA 0.268 4.608 4.340 -0.000 0.000 0.202 318 R C -0.178 176.331 176.300 0.349 0.000 0.933 318 R CA -0.022 56.193 56.100 0.191 0.000 1.054 318 R CB -0.843 29.609 30.300 0.254 0.000 0.985 318 R HN 0.413 nan 8.270 nan 0.000 0.489 319 C N 1.546 121.040 119.300 0.324 0.000 2.307 319 C HA 0.531 4.991 4.460 -0.000 0.000 0.340 319 C C 0.644 175.822 174.990 0.312 0.000 1.275 319 C CA -0.620 58.569 59.018 0.284 0.000 1.811 319 C CB 0.089 28.009 27.740 0.301 0.000 2.372 319 C HN 0.263 nan 8.230 nan 0.000 0.531 320 I N 4.996 125.710 120.570 0.240 0.000 2.641 320 I HA 0.229 4.399 4.170 -0.000 0.000 0.275 320 I C -2.408 173.802 176.117 0.155 0.000 1.129 320 I CA -1.502 59.925 61.300 0.212 0.000 1.094 320 I CB 1.267 39.384 38.000 0.196 0.000 1.232 320 I HN 0.325 nan 8.210 nan 0.000 0.503 321 P HA -0.076 nan 4.420 nan 0.000 0.265 321 P C -0.427 176.931 177.300 0.098 0.000 1.187 321 P CA 0.422 63.590 63.100 0.113 0.000 0.766 321 P CB 0.309 32.010 31.700 0.002 0.000 0.820 322 H N 1.734 120.847 119.070 0.073 0.000 2.508 322 H HA 0.378 4.934 4.556 -0.000 0.000 0.358 322 H C 1.261 176.636 175.328 0.077 0.000 1.212 322 H CA 0.682 56.793 56.048 0.105 0.000 1.356 322 H CB 0.666 30.528 29.762 0.167 0.000 1.525 322 H HN 0.692 nan 8.280 nan 0.000 0.578 323 G N 0.700 109.065 108.800 -0.725 0.000 2.339 323 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.209 323 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.209 323 G C 1.080 175.986 174.900 0.010 0.000 1.015 323 G CA 0.439 45.419 45.100 -0.201 0.000 0.635 323 G HN 1.630 nan 8.290 nan 0.000 0.499 324 G N 0.269 108.882 108.800 -0.313 0.000 2.305 324 G HA2 0.067 4.027 3.960 -0.000 0.000 0.287 324 G HA3 0.067 4.027 3.960 -0.000 0.000 0.287 324 G C 0.130 174.998 174.900 -0.053 0.000 1.036 324 G CA 1.669 46.584 45.100 -0.309 0.000 0.887 324 G HN 2.395 nan 8.290 nan 0.000 0.505 325 H N -4.069 115.031 119.070 0.050 0.000 2.651 325 H HA 0.755 5.311 4.556 -0.000 0.000 0.353 325 H C 1.086 176.457 175.328 0.071 0.000 1.178 325 H CA -0.877 55.254 56.048 0.139 0.000 1.224 325 H CB 0.732 30.533 29.762 0.066 0.000 1.702 325 H HN -0.000 nan 8.280 nan 0.000 0.550 326 Q N 0.394 120.393 119.800 0.331 0.000 2.291 326 Q HA -0.077 4.263 4.340 -0.000 0.000 0.206 326 Q C 1.838 177.889 176.000 0.085 0.000 0.976 326 Q CA 1.447 57.345 55.803 0.159 0.000 0.875 326 Q CB -0.174 28.618 28.738 0.090 0.000 0.927 326 Q HN 0.749 nan 8.270 nan 0.000 0.450 327 M N -0.201 119.536 119.600 0.228 0.000 2.086 327 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 327 M C 1.800 178.127 176.300 0.045 0.000 1.067 327 M CA 1.708 57.072 55.300 0.108 0.000 1.116 327 M CB -0.367 32.282 32.600 0.080 0.000 1.348 327 M HN 0.049 nan 8.290 nan 0.000 0.407 328 S N 0.468 116.193 115.700 0.042 0.000 2.368 328 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 328 S C 1.870 176.405 174.600 -0.108 0.000 1.030 328 S CA 1.577 59.683 58.200 -0.155 0.000 0.999 328 S CB -0.662 62.325 63.200 -0.355 0.000 0.844 328 S HN 0.553 nan 8.310 nan 0.000 0.459 329 L N 1.786 122.972 121.223 -0.063 0.000 2.043 329 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 329 L C 2.404 179.242 176.870 -0.055 0.000 1.075 329 L CA 1.140 55.958 54.840 -0.038 0.000 0.752 329 L CB -0.656 41.416 42.059 0.022 0.000 0.891 329 L HN 0.361 nan 8.230 nan 0.000 0.432 330 N N 0.158 118.847 118.700 -0.019 0.000 2.142 330 N HA -0.130 4.609 4.740 -0.000 0.000 0.186 330 N C 1.931 177.447 175.510 0.009 0.000 1.023 330 N CA 1.434 54.515 53.050 0.051 0.000 0.852 330 N CB -0.060 38.470 38.487 0.072 0.000 0.998 330 N HN 0.350 nan 8.380 nan 0.000 0.424 331 I N 1.297 121.819 120.570 -0.079 0.000 2.252 331 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 331 I C 2.492 178.573 176.117 -0.061 0.000 1.102 331 I CA 0.708 61.934 61.300 -0.123 0.000 1.385 331 I CB -0.325 37.524 38.000 -0.253 0.000 1.064 331 I HN 0.042 nan 8.210 nan 0.000 0.414 332 A N 1.018 123.809 122.820 -0.049 0.000 1.858 332 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 332 A C 2.576 180.156 177.584 -0.006 0.000 1.190 332 A CA 2.046 54.082 52.037 -0.001 0.000 0.617 332 A CB -0.961 18.043 19.000 0.005 0.000 0.827 332 A HN 0.420 nan 8.150 nan 0.000 0.443 333 A N -0.790 121.995 122.820 -0.059 0.000 1.902 333 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 333 A C 2.371 179.962 177.584 0.011 0.000 1.181 333 A CA 2.046 54.018 52.037 -0.109 0.000 0.623 333 A CB -1.253 17.504 19.000 -0.405 0.000 0.818 333 A HN 0.735 nan 8.150 nan 0.000 0.443 334 G N -0.810 108.033 108.800 0.072 0.000 2.396 334 G HA2 0.077 4.037 3.960 -0.000 0.000 0.214 334 G HA3 0.077 4.037 3.960 -0.000 0.000 0.214 334 G C 1.294 176.194 174.900 -0.001 0.000 1.166 334 G CA 0.784 45.941 45.100 0.095 0.000 0.793 334 G HN 0.414 nan 8.290 nan 0.000 0.533 335 L N 0.321 121.517 121.223 -0.046 0.000 2.640 335 L HA 0.333 4.673 4.340 -0.000 0.000 0.230 335 L C 1.522 178.394 176.870 0.003 0.000 1.123 335 L CA 0.254 55.044 54.840 -0.083 0.000 0.900 335 L CB 0.200 42.170 42.059 -0.148 0.000 1.146 335 L HN 0.312 nan 8.230 nan 0.000 0.484 336 G N 1.416 110.237 108.800 0.034 0.000 2.248 336 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.263 336 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.263 336 G C 0.036 174.998 174.900 0.105 0.000 1.082 336 G CA -0.168 44.972 45.100 0.066 0.000 0.863 336 G HN 0.201 nan 8.290 nan 0.000 0.495 337 L N -0.767 120.527 121.223 0.119 0.000 2.475 337 L HA 0.527 4.866 4.340 -0.000 0.000 0.253 337 L C 2.095 179.089 176.870 0.208 0.000 1.198 337 L CA -0.015 54.931 54.840 0.176 0.000 0.814 337 L CB 0.344 42.509 42.059 0.176 0.000 1.134 337 L HN 0.215 nan 8.230 nan 0.000 0.478 338 G N -0.689 108.283 108.800 0.286 0.000 2.471 338 G HA2 0.336 4.296 3.960 -0.000 0.000 0.219 338 G HA3 0.336 4.296 3.960 -0.000 0.000 0.219 338 G C 0.552 175.671 174.900 0.365 0.000 1.125 338 G CA 0.758 46.081 45.100 0.370 0.000 0.775 338 G HN 0.951 nan 8.290 nan 0.000 0.548 339 G N -1.169 107.816 108.800 0.308 0.000 2.356 339 G HA2 0.269 4.229 3.960 -0.000 0.000 0.266 339 G HA3 0.269 4.229 3.960 -0.000 0.000 0.266 339 G C -1.779 173.216 174.900 0.158 0.000 1.312 339 G CA -0.260 45.019 45.100 0.299 0.000 0.922 339 G HN 0.442 nan 8.290 nan 0.000 0.480 340 N N -0.641 118.088 118.700 0.049 0.000 2.396 340 N HA 0.411 5.151 4.740 -0.000 0.000 0.275 340 N C -1.013 174.353 175.510 -0.239 0.000 1.218 340 N CA -0.533 52.480 53.050 -0.062 0.000 0.812 340 N CB 2.616 41.040 38.487 -0.106 0.000 1.592 340 N HN 0.640 nan 8.380 nan 0.000 0.480 341 E N 0.545 120.517 120.200 -0.380 0.000 2.349 341 E HA 0.320 4.670 4.350 -0.000 0.000 0.262 341 E C -1.331 174.742 176.600 -0.878 0.000 1.088 341 E CA -0.253 55.583 56.400 -0.940 0.000 0.899 341 E CB 1.166 30.427 29.700 -0.731 0.000 1.044 341 E HN 0.358 nan 8.360 nan 0.000 0.420 342 S N 2.031 117.048 115.700 -1.139 0.000 2.536 342 S HA 0.406 4.876 4.470 -0.000 0.000 0.271 342 S C -1.966 172.054 174.600 -0.967 0.000 1.134 342 S CA -0.629 57.064 58.200 -0.846 0.000 0.897 342 S CB 0.498 63.411 63.200 -0.478 0.000 1.094 342 S HN 0.455 nan 8.310 nan 0.000 0.473 343 Y N 4.022 124.122 120.300 -0.334 0.000 2.842 343 Y HA 0.379 4.929 4.550 -0.000 0.000 0.334 343 Y C -2.015 173.742 175.900 -0.238 0.000 1.019 343 Y CA -1.974 55.955 58.100 -0.285 0.000 1.258 343 Y CB 1.045 39.423 38.460 -0.136 0.000 1.106 343 Y HN 0.494 nan 8.280 nan 0.000 0.545 344 P HA -0.110 nan 4.420 nan 0.000 0.218 344 P C 0.431 177.764 177.300 0.054 0.000 1.148 344 P CA 1.598 64.720 63.100 0.037 0.000 0.822 344 P CB 0.516 32.328 31.700 0.186 0.000 0.784 345 D N -2.005 118.426 120.400 0.052 0.000 2.417 345 D HA 0.145 4.785 4.640 -0.000 0.000 0.207 345 D C 0.642 176.816 176.300 -0.210 0.000 1.075 345 D CA 0.312 54.282 54.000 -0.049 0.000 0.851 345 D CB 0.200 40.983 40.800 -0.027 0.000 0.976 345 D HN 0.179 nan 8.370 nan 0.000 0.505 346 L N -0.405 120.621 121.223 -0.329 0.000 2.334 346 L HA 0.368 4.707 4.340 -0.000 0.000 0.270 346 L C 0.302 176.784 176.870 -0.646 0.000 1.018 346 L CA -0.978 53.381 54.840 -0.801 0.000 0.811 346 L CB 1.107 42.210 42.059 -1.592 0.000 1.271 346 L HN -0.076 nan 8.230 nan 0.000 0.443 347 F N -1.680 118.183 119.950 -0.145 0.000 2.987 347 F HA -0.274 4.253 4.527 -0.000 0.000 0.309 347 F C 0.976 176.768 175.800 -0.014 0.000 0.724 347 F CA 0.092 58.055 58.000 -0.061 0.000 1.079 347 F CB -1.360 37.586 39.000 -0.090 0.000 1.432 347 F HN 0.576 nan 8.300 nan 0.000 0.351 348 Q N 2.285 122.078 119.800 -0.012 0.000 2.421 348 Q HA 0.061 4.401 4.340 -0.000 0.000 0.255 348 Q C -1.034 174.821 176.000 -0.241 0.000 1.013 348 Q CA -0.666 55.062 55.803 -0.124 0.000 0.895 348 Q CB 0.260 28.924 28.738 -0.124 0.000 1.271 348 Q HN 0.068 nan 8.270 nan 0.000 0.460 349 P HA -0.018 nan 4.420 nan 0.000 0.253 349 P C -0.708 176.178 177.300 -0.690 0.000 1.281 349 P CA 0.362 63.130 63.100 -0.553 0.000 0.792 349 P CB -0.013 31.365 31.700 -0.537 0.000 1.193 350 Y N 1.246 121.366 120.300 -0.300 0.000 2.556 350 Y HA 0.498 5.048 4.550 -0.000 0.000 0.352 350 Y C 1.649 177.490 175.900 -0.099 0.000 1.006 350 Y CA 0.655 58.377 58.100 -0.628 0.000 1.277 350 Y CB 0.138 37.968 38.460 -1.050 0.000 1.136 350 Y HN 0.171 nan 8.280 nan 0.000 0.523 351 G N 0.578 109.529 108.800 0.253 0.000 2.362 351 G HA2 0.411 4.370 3.960 -0.000 0.000 0.517 351 G HA3 0.411 4.370 3.960 -0.000 0.000 0.517 351 G C -0.159 174.759 174.900 0.031 0.000 1.256 351 G CA -0.266 45.029 45.100 0.325 0.000 1.027 351 G HN 1.433 nan 8.290 nan 0.000 0.491 352 G N -1.864 106.786 108.800 -0.250 0.000 2.568 352 G HA2 0.410 4.370 3.960 -0.000 0.000 0.222 352 G HA3 0.410 4.370 3.960 -0.000 0.000 0.222 352 G C -0.315 174.129 174.900 -0.760 0.000 1.321 352 G CA 0.515 45.218 45.100 -0.661 0.000 0.893 352 G HN 1.900 nan 8.290 nan 0.000 0.569 353 F N 0.075 120.075 119.950 0.084 0.000 2.620 353 F HA 0.693 5.220 4.527 -0.000 0.000 0.320 353 F C -2.079 173.765 175.800 0.072 0.000 1.069 353 F CA -2.022 56.019 58.000 0.068 0.000 0.953 353 F CB 1.122 40.137 39.000 0.025 0.000 1.322 353 F HN 0.374 nan 8.300 nan 0.000 0.479 354 P HA 0.016 nan 4.420 nan 0.000 0.267 354 P C -0.824 176.561 177.300 0.141 0.000 1.201 354 P CA 0.008 63.210 63.100 0.169 0.000 0.775 354 P CB 0.424 32.203 31.700 0.132 0.000 0.854 355 D N 0.803 121.263 120.400 0.100 0.000 2.472 355 D HA 0.229 4.869 4.640 -0.000 0.000 0.237 355 D C 1.592 177.928 176.300 0.060 0.000 1.141 355 D CA 1.689 55.734 54.000 0.075 0.000 0.875 355 D CB 0.237 41.070 40.800 0.055 0.000 1.192 355 D HN 0.629 nan 8.370 nan 0.000 0.450 356 G N 1.030 109.858 108.800 0.048 0.000 4.165 356 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.211 356 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.211 356 G C 0.438 175.344 174.900 0.010 0.000 1.469 356 G CA 0.027 45.142 45.100 0.026 0.000 0.964 356 G HN 0.841 nan 8.290 nan 0.000 0.613 357 V N 4.849 124.769 119.914 0.010 0.000 2.843 357 V HA 0.481 4.600 4.120 -0.000 0.000 0.305 357 V C 0.711 176.754 176.094 -0.086 0.000 1.120 357 V CA 1.314 63.586 62.300 -0.046 0.000 1.254 357 V CB 0.487 32.274 31.823 -0.060 0.000 0.901 357 V HN 1.169 nan 8.190 nan 0.000 0.503 358 R N 4.115 124.523 120.500 -0.154 0.000 2.836 358 R HA 0.687 5.027 4.340 -0.000 0.000 0.269 358 R C -1.577 174.543 176.300 -0.301 0.000 1.010 358 R CA -0.931 55.054 56.100 -0.191 0.000 0.930 358 R CB 1.589 31.821 30.300 -0.113 0.000 1.218 358 R HN 0.453 nan 8.270 nan 0.000 0.473 359 V N 2.112 121.805 119.914 -0.368 0.000 2.455 359 V HA 0.141 4.261 4.120 -0.000 0.000 0.273 359 V C -0.006 175.919 176.094 -0.281 0.000 1.045 359 V CA -0.078 61.956 62.300 -0.444 0.000 0.976 359 V CB 0.808 32.164 31.823 -0.778 0.000 0.993 359 V HN 0.604 nan 8.190 nan 0.000 0.475 360 E N 4.852 124.940 120.200 -0.187 0.000 2.121 360 E HA 0.214 4.564 4.350 -0.000 0.000 0.255 360 E C 0.162 176.743 176.600 -0.032 0.000 0.906 360 E CA -0.549 55.789 56.400 -0.102 0.000 0.745 360 E CB 0.634 30.285 29.700 -0.082 0.000 1.155 360 E HN 0.740 nan 8.360 nan 0.000 0.424 361 N N 2.291 120.970 118.700 -0.034 0.000 2.671 361 N HA -0.251 4.489 4.740 -0.000 0.000 0.261 361 N C 0.654 176.273 175.510 0.181 0.000 1.053 361 N CA 1.401 54.478 53.050 0.045 0.000 0.732 361 N CB -1.062 37.454 38.487 0.048 0.000 0.887 361 N HN 0.816 nan 8.380 nan 0.000 0.546 362 G N -0.624 108.201 108.800 0.042 0.000 2.155 362 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 362 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 362 G C -0.120 174.687 174.900 -0.154 0.000 0.983 362 G CA 0.889 45.988 45.100 -0.001 0.000 0.676 362 G HN 0.918 nan 8.290 nan 0.000 0.528 363 H N -1.051 117.957 119.070 -0.103 0.000 2.928 363 H HA 0.730 5.286 4.556 -0.000 0.000 0.371 363 H C 0.166 175.353 175.328 -0.236 0.000 1.186 363 H CA -0.242 55.743 56.048 -0.106 0.000 1.134 363 H CB 1.666 31.416 29.762 -0.019 0.000 1.824 363 H HN 0.630 nan 8.280 nan 0.000 0.554 364 I N -2.105 118.383 120.570 -0.136 0.000 3.042 364 I HA 0.730 4.900 4.170 -0.000 0.000 0.310 364 I C -0.815 175.203 176.117 -0.165 0.000 1.117 364 I CA -0.545 60.588 61.300 -0.279 0.000 1.003 364 I CB 2.423 40.065 38.000 -0.596 0.000 1.228 364 I HN 0.445 nan 8.210 nan 0.000 0.443 365 T N 4.781 119.237 114.554 -0.164 0.000 2.809 365 T HA 0.474 4.823 4.350 -0.000 0.000 0.284 365 T C -0.130 174.494 174.700 -0.127 0.000 0.992 365 T CA -0.468 61.559 62.100 -0.123 0.000 0.957 365 T CB 0.941 69.760 68.868 -0.081 0.000 0.942 365 T HN 0.464 nan 8.240 nan 0.000 0.439 366 M N 5.895 125.384 119.600 -0.185 0.000 2.356 366 M HA 0.176 4.656 4.480 -0.000 0.000 0.348 366 M C -1.973 174.325 176.300 -0.003 0.000 1.595 366 M CA -2.225 52.967 55.300 -0.180 0.000 1.095 366 M CB -0.448 31.792 32.600 -0.600 0.000 1.963 366 M HN 0.314 nan 8.290 nan 0.000 0.459 367 P HA 0.115 nan 4.420 nan 0.000 0.274 367 P C -0.628 176.796 177.300 0.207 0.000 1.231 367 P CA -0.264 62.900 63.100 0.108 0.000 0.790 367 P CB 0.944 32.687 31.700 0.072 0.000 0.951 368 D N 2.147 122.645 120.400 0.162 0.000 2.688 368 D HA 0.171 4.811 4.640 -0.000 0.000 0.228 368 D C 0.183 176.517 176.300 0.056 0.000 1.116 368 D CA 0.296 54.372 54.000 0.128 0.000 1.023 368 D CB -0.186 40.658 40.800 0.074 0.000 1.100 368 D HN 0.231 nan 8.370 nan 0.000 0.487 369 L N 2.327 123.595 121.223 0.076 0.000 2.334 369 L HA 0.328 4.668 4.340 -0.000 0.000 0.277 369 L C -1.881 174.987 176.870 -0.004 0.000 1.075 369 L CA -1.878 52.982 54.840 0.034 0.000 0.804 369 L CB 1.129 43.216 42.059 0.047 0.000 1.174 369 L HN -0.063 nan 8.230 nan 0.000 0.438 370 P HA 0.119 nan 4.420 nan 0.000 0.271 370 P C 0.370 177.663 177.300 -0.011 0.000 1.216 370 P CA 0.544 63.630 63.100 -0.024 0.000 0.776 370 P CB 1.103 32.798 31.700 -0.009 0.000 0.881 371 G N 2.835 111.624 108.800 -0.017 0.000 2.539 371 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.256 371 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.256 371 G C 0.885 175.768 174.900 -0.029 0.000 1.233 371 G CA 0.094 45.196 45.100 0.004 0.000 0.936 371 G HN 0.431 nan 8.290 nan 0.000 0.571 372 I N 1.756 122.268 120.570 -0.096 0.000 2.394 372 I HA 0.187 4.357 4.170 -0.000 0.000 0.251 372 I C 2.352 178.319 176.117 -0.250 0.000 1.136 372 I CA 1.735 62.879 61.300 -0.260 0.000 1.425 372 I CB -0.418 37.175 38.000 -0.680 0.000 1.079 372 I HN 1.953 nan 8.210 nan 0.000 0.425 373 G N -0.091 108.611 108.800 -0.164 0.000 2.134 373 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.209 373 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.209 373 G C 0.628 175.550 174.900 0.037 0.000 0.993 373 G CA -0.212 44.864 45.100 -0.039 0.000 0.669 373 G HN 0.331 nan 8.290 nan 0.000 0.519 374 F N 0.646 120.685 119.950 0.150 0.000 2.202 374 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 374 F C 2.541 178.387 175.800 0.077 0.000 1.082 374 F CA 1.421 59.522 58.000 0.168 0.000 1.313 374 F CB 0.016 39.176 39.000 0.267 0.000 1.024 374 F HN 0.245 nan 8.300 nan 0.000 0.495 375 E N 0.223 120.484 120.200 0.103 0.000 2.209 375 E HA -0.166 4.184 4.350 -0.000 0.000 0.196 375 E C 2.347 178.890 176.600 -0.095 0.000 0.993 375 E CA 1.040 57.263 56.400 -0.296 0.000 0.819 375 E CB -0.772 28.680 29.700 -0.413 0.000 0.745 375 E HN 0.381 nan 8.360 nan 0.000 0.477 376 G N 0.206 109.021 108.800 0.025 0.000 2.559 376 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 376 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 376 G C 0.617 175.570 174.900 0.088 0.000 1.126 376 G CA 0.032 45.163 45.100 0.052 0.000 0.778 376 G HN 0.099 nan 8.290 nan 0.000 0.543 377 K N 1.251 121.729 120.400 0.130 0.000 2.419 377 K HA 0.289 4.609 4.320 -0.000 0.000 0.244 377 K C 1.734 178.406 176.600 0.119 0.000 1.045 377 K CA 0.136 56.497 56.287 0.124 0.000 1.004 377 K CB 0.688 33.279 32.500 0.152 0.000 1.376 377 K HN 0.148 nan 8.250 nan 0.000 0.460 378 S N 2.735 118.492 115.700 0.096 0.000 2.368 378 S HA -0.264 4.206 4.470 -0.000 0.000 0.226 378 S C 1.405 176.037 174.600 0.053 0.000 1.044 378 S CA 1.920 60.182 58.200 0.104 0.000 1.062 378 S CB -0.370 62.872 63.200 0.069 0.000 0.931 378 S HN 0.813 nan 8.310 nan 0.000 0.440 379 D N 1.259 121.657 120.400 -0.003 0.000 2.263 379 D HA -0.086 4.554 4.640 -0.000 0.000 0.208 379 D C 2.005 178.222 176.300 -0.138 0.000 0.971 379 D CA 0.833 54.792 54.000 -0.070 0.000 0.867 379 D CB -0.394 40.354 40.800 -0.087 0.000 0.929 379 D HN 0.513 nan 8.370 nan 0.000 0.492 380 L N -0.965 120.190 121.223 -0.113 0.000 2.145 380 L HA -0.073 4.267 4.340 -0.000 0.000 0.201 380 L C 2.485 179.274 176.870 -0.134 0.000 1.075 380 L CA 0.433 55.151 54.840 -0.203 0.000 0.773 380 L CB -0.296 41.681 42.059 -0.136 0.000 0.936 380 L HN -0.124 nan 8.230 nan 0.000 0.451 381 Y N 1.383 121.605 120.300 -0.130 0.000 2.256 381 Y HA -0.318 4.232 4.550 -0.000 0.000 0.288 381 Y C 2.593 178.398 175.900 -0.158 0.000 1.155 381 Y CA 1.935 59.949 58.100 -0.143 0.000 1.203 381 Y CB -0.247 38.195 38.460 -0.030 0.000 0.980 381 Y HN 0.135 nan 8.280 nan 0.000 0.530 382 K N 0.021 120.300 120.400 -0.201 0.000 2.032 382 K HA -0.271 4.049 4.320 -0.000 0.000 0.209 382 K C 1.998 178.429 176.600 -0.282 0.000 1.048 382 K CA 2.002 58.145 56.287 -0.240 0.000 0.927 382 K CB -0.178 32.249 32.500 -0.122 0.000 0.712 382 K HN 0.206 nan 8.250 nan 0.000 0.441 383 E N 0.471 120.525 120.200 -0.242 0.000 2.077 383 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 383 E C 1.963 178.415 176.600 -0.247 0.000 0.989 383 E CA 1.647 57.932 56.400 -0.191 0.000 0.800 383 E CB -0.029 29.585 29.700 -0.143 0.000 0.746 383 E HN 0.351 nan 8.360 nan 0.000 0.452 384 M N 0.279 119.625 119.600 -0.422 0.000 2.099 384 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 384 M C 2.111 178.048 176.300 -0.605 0.000 1.067 384 M CA 1.792 56.685 55.300 -0.677 0.000 1.124 384 M CB -0.418 31.414 32.600 -1.280 0.000 1.353 384 M HN 0.012 nan 8.290 nan 0.000 0.410 385 K N 0.609 120.579 120.400 -0.718 0.000 2.362 385 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 385 K C 1.774 178.264 176.600 -0.183 0.000 1.046 385 K CA 1.244 57.287 56.287 -0.408 0.000 0.952 385 K CB -0.294 31.825 32.500 -0.635 0.000 0.753 385 K HN 0.220 nan 8.250 nan 0.000 0.466 386 A N 1.500 124.202 122.820 -0.197 0.000 1.968 386 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 386 A C 2.067 179.627 177.584 -0.040 0.000 1.169 386 A CA 0.769 52.746 52.037 -0.101 0.000 0.638 386 A CB -0.327 18.612 19.000 -0.102 0.000 0.812 386 A HN 0.339 nan 8.150 nan 0.000 0.446 387 L N -1.328 119.881 121.223 -0.023 0.000 2.068 387 L HA 0.408 4.748 4.340 -0.000 0.000 0.204 387 L C 0.771 177.692 176.870 0.085 0.000 1.076 387 L CA 1.750 56.615 54.840 0.043 0.000 0.753 387 L CB -0.245 41.862 42.059 0.080 0.000 0.910 387 L HN 0.412 nan 8.230 nan 0.000 0.439 388 A N -1.141 121.768 122.820 0.148 0.000 2.566 388 A HA 0.655 4.975 4.320 -0.000 0.000 0.297 388 A C -0.885 176.818 177.584 0.198 0.000 1.059 388 A CA -0.508 51.620 52.037 0.151 0.000 0.691 388 A CB 1.037 20.124 19.000 0.145 0.000 1.282 388 A HN 0.232 nan 8.150 nan 0.000 0.401 389 E N 0.000 120.277 120.200 0.129 0.000 2.725 389 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 389 E CA 0.000 56.486 56.400 0.143 0.000 0.976 389 E CB 0.000 29.760 29.700 0.100 0.000 0.812 389 E HN 0.000 nan 8.360 nan 0.000 0.440