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 1n5r_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.624 176.600 0.039 0.000 1.382 4 E CA 0.000 56.417 56.400 0.028 0.000 0.976 4 E CB 0.000 29.717 29.700 0.029 0.000 0.812 5 D N 6.038 126.469 120.400 0.052 0.000 2.359 5 D HA 0.272 4.935 4.640 0.038 0.000 0.230 5 D C -1.488 174.866 176.300 0.090 0.000 1.118 5 D CA -2.313 51.735 54.000 0.080 0.000 0.844 5 D CB 1.609 42.474 40.800 0.108 0.000 1.059 5 D HN 0.245 nan 8.370 nan 0.000 0.493 6 P HA -0.179 nan 4.420 nan 0.000 0.222 6 P C 0.943 178.290 177.300 0.077 0.000 1.142 6 P CA 0.846 63.981 63.100 0.059 0.000 0.788 6 P CB 0.572 32.291 31.700 0.032 0.000 0.767 7 Q N -0.580 119.283 119.800 0.106 0.000 2.311 7 Q HA 0.091 4.454 4.340 0.038 0.000 0.203 7 Q C 2.048 178.206 176.000 0.262 0.000 0.954 7 Q CA 0.781 56.664 55.803 0.133 0.000 0.885 7 Q CB -0.167 28.616 28.738 0.075 0.000 0.963 7 Q HN 0.424 nan 8.270 nan 0.000 0.471 8 L N -0.015 121.347 121.223 0.232 0.000 2.628 8 L HA 0.231 4.594 4.340 0.038 0.000 0.229 8 L C 0.361 177.416 176.870 0.309 0.000 1.137 8 L CA -0.055 54.920 54.840 0.225 0.000 0.909 8 L CB 0.326 42.425 42.059 0.066 0.000 1.137 8 L HN -0.029 nan 8.230 nan 0.000 0.470 9 L N 0.874 122.234 121.223 0.229 0.000 2.298 9 L HA 0.544 4.906 4.340 0.038 0.000 0.284 9 L C -0.832 176.083 176.870 0.076 0.000 1.013 9 L CA -0.396 54.543 54.840 0.164 0.000 0.824 9 L CB 2.013 44.128 42.059 0.094 0.000 1.221 9 L HN -0.201 nan 8.230 nan 0.000 0.418 10 V N 3.618 123.538 119.914 0.011 0.000 3.040 10 V HA 0.547 4.690 4.120 0.038 0.000 0.312 10 V C -0.554 175.458 176.094 -0.137 0.000 1.115 10 V CA -0.895 61.264 62.300 -0.236 0.000 0.998 10 V CB 2.468 33.828 31.823 -0.772 0.000 1.042 10 V HN 0.661 nan 8.190 nan 0.000 0.433 11 R N 1.711 122.102 120.500 -0.181 0.000 2.393 11 R HA 0.763 5.126 4.340 0.038 0.000 0.315 11 R C -0.938 175.289 176.300 -0.123 0.000 0.952 11 R CA -0.328 55.718 56.100 -0.091 0.000 0.842 11 R CB 1.737 31.987 30.300 -0.083 0.000 1.163 11 R HN 0.764 nan 8.270 nan 0.000 0.450 12 V N 1.435 121.334 119.914 -0.024 0.000 3.177 12 V HA 0.482 4.625 4.120 0.038 0.000 0.319 12 V C 1.192 177.228 176.094 -0.097 0.000 1.125 12 V CA -0.893 61.390 62.300 -0.028 0.000 1.029 12 V CB 1.845 33.800 31.823 0.220 0.000 1.119 12 V HN 0.830 nan 8.190 nan 0.000 0.452 13 R N 1.097 121.521 120.500 -0.127 0.000 2.139 13 R HA -0.070 4.293 4.340 0.038 0.000 0.243 13 R C 1.969 178.126 176.300 -0.238 0.000 1.145 13 R CA 1.775 57.786 56.100 -0.148 0.000 0.976 13 R CB -0.640 29.591 30.300 -0.115 0.000 0.866 13 R HN 0.989 nan 8.270 nan 0.000 0.449 14 G N -0.626 107.967 108.800 -0.346 0.000 2.880 14 G HA2 0.307 4.289 3.960 0.038 0.000 0.209 14 G HA3 0.307 4.289 3.960 0.038 0.000 0.209 14 G C 0.409 174.351 174.900 -1.597 0.000 1.157 14 G CA 0.494 45.085 45.100 -0.849 0.000 0.779 14 G HN 0.572 nan 8.290 nan 0.000 0.539 15 G N -1.081 107.121 108.800 -0.997 0.000 2.320 15 G HA2 0.139 4.122 3.960 0.038 0.000 0.274 15 G HA3 0.139 4.122 3.960 0.038 0.000 0.274 15 G C -1.247 173.660 174.900 0.013 0.000 1.324 15 G CA -0.956 43.717 45.100 -0.713 0.000 0.957 15 G HN 0.269 nan 8.290 nan 0.000 0.481 16 Q N -0.454 119.519 119.800 0.288 0.000 2.230 16 Q HA 0.712 5.075 4.340 0.038 0.000 0.248 16 Q C -0.493 175.788 176.000 0.469 0.000 0.915 16 Q CA -0.285 55.713 55.803 0.325 0.000 0.900 16 Q CB 1.770 30.622 28.738 0.191 0.000 1.229 16 Q HN 0.458 nan 8.270 nan 0.000 0.439 17 L N 1.134 122.549 121.223 0.320 0.000 2.354 17 L HA 0.644 5.006 4.340 0.038 0.000 0.264 17 L C -0.486 176.544 176.870 0.267 0.000 1.008 17 L CA -0.868 54.151 54.840 0.299 0.000 0.819 17 L CB 2.107 44.390 42.059 0.372 0.000 1.339 17 L HN 0.418 nan 8.230 nan 0.000 0.420 18 R N 0.497 121.133 120.500 0.227 0.000 2.451 18 R HA 0.612 4.975 4.340 0.038 0.000 0.307 18 R C -0.440 175.931 176.300 0.118 0.000 0.965 18 R CA -0.319 55.888 56.100 0.178 0.000 0.865 18 R CB 1.804 32.153 30.300 0.082 0.000 1.174 18 R HN 0.863 nan 8.270 nan 0.000 0.455 19 G N 3.305 112.126 108.800 0.036 0.000 2.531 19 G HA2 0.454 4.436 3.960 0.038 0.000 0.281 19 G HA3 0.454 4.436 3.960 0.038 0.000 0.281 19 G C -0.788 173.905 174.900 -0.345 0.000 1.382 19 G CA -0.620 44.216 45.100 -0.440 0.000 1.045 19 G HN 0.570 nan 8.290 nan 0.000 0.533 20 I N -1.112 119.193 120.570 -0.443 0.000 2.647 20 I HA 0.542 4.735 4.170 0.038 0.000 0.295 20 I C -0.343 175.591 176.117 -0.305 0.000 1.078 20 I CA -1.153 59.968 61.300 -0.298 0.000 1.048 20 I CB 2.224 40.066 38.000 -0.264 0.000 1.239 20 I HN 0.454 nan 8.210 nan 0.000 0.421 21 R N 7.361 127.703 120.500 -0.264 0.000 2.234 21 R HA 0.564 4.927 4.340 0.038 0.000 0.324 21 R C -1.628 174.517 176.300 -0.259 0.000 1.054 21 R CA -0.355 55.542 56.100 -0.338 0.000 0.912 21 R CB 0.649 30.656 30.300 -0.488 0.000 1.030 21 R HN 0.640 nan 8.270 nan 0.000 0.455 22 L N 3.286 124.384 121.223 -0.208 0.000 2.330 22 L HA 0.462 4.825 4.340 0.038 0.000 0.271 22 L C -0.332 176.461 176.870 -0.128 0.000 1.013 22 L CA -1.188 53.569 54.840 -0.139 0.000 0.816 22 L CB 1.736 43.753 42.059 -0.070 0.000 1.287 22 L HN 0.448 nan 8.230 nan 0.000 0.435 23 K N 1.846 122.182 120.400 -0.106 0.000 2.248 23 K HA 0.623 4.966 4.320 0.038 0.000 0.281 23 K C -0.809 175.735 176.600 -0.093 0.000 1.054 23 K CA -0.082 56.154 56.287 -0.086 0.000 0.903 23 K CB 1.291 33.752 32.500 -0.065 0.000 1.077 23 K HN 0.617 nan 8.250 nan 0.000 0.474 24 A N 5.823 128.595 122.820 -0.080 0.000 2.337 24 A HA 0.530 4.873 4.320 0.038 0.000 0.331 24 A C -1.940 175.650 177.584 0.010 0.000 1.137 24 A CA -1.875 50.103 52.037 -0.099 0.000 0.807 24 A CB 0.844 19.777 19.000 -0.113 0.000 1.250 24 A HN 0.683 nan 8.150 nan 0.000 0.468 25 P HA -0.197 nan 4.420 nan 0.000 0.217 25 P C 1.309 178.649 177.300 0.067 0.000 1.158 25 P CA 2.391 65.552 63.100 0.101 0.000 0.887 25 P CB 0.250 32.047 31.700 0.161 0.000 0.792 26 G N -2.631 106.211 108.800 0.070 0.000 3.141 26 G HA2 0.460 4.442 3.960 0.038 0.000 0.218 26 G HA3 0.460 4.442 3.960 0.038 0.000 0.218 26 G C 0.480 175.408 174.900 0.047 0.000 1.170 26 G CA 0.445 45.578 45.100 0.055 0.000 0.769 26 G HN 0.620 nan 8.290 nan 0.000 0.546 27 G N -0.424 108.399 108.800 0.039 0.000 2.359 27 G HA2 0.357 4.340 3.960 0.038 0.000 0.293 27 G HA3 0.357 4.340 3.960 0.038 0.000 0.293 27 G C -3.413 171.500 174.900 0.023 0.000 1.300 27 G CA -0.680 44.444 45.100 0.040 0.000 0.888 27 G HN 0.043 nan 8.290 nan 0.000 0.541 28 P HA 0.561 nan 4.420 nan 0.000 0.279 28 P C -0.223 177.115 177.300 0.063 0.000 1.252 28 P CA -0.268 62.809 63.100 -0.038 0.000 0.811 28 P CB 1.780 33.374 31.700 -0.178 0.000 1.035 29 V N -1.776 118.147 119.914 0.014 0.000 3.007 29 V HA 0.615 4.758 4.120 0.038 0.000 0.311 29 V C -0.408 175.742 176.094 0.092 0.000 1.120 29 V CA -0.914 61.468 62.300 0.135 0.000 0.980 29 V CB 1.730 33.633 31.823 0.134 0.000 1.033 29 V HN 0.449 nan 8.190 nan 0.000 0.429 30 S N 1.877 117.701 115.700 0.206 0.000 2.480 30 S HA 0.859 5.352 4.470 0.038 0.000 0.286 30 S C 0.044 174.604 174.600 -0.067 0.000 1.180 30 S CA -0.012 58.231 58.200 0.070 0.000 1.075 30 S CB 1.306 64.677 63.200 0.285 0.000 0.996 30 S HN 1.586 nan 8.310 nan 0.000 0.487 31 A N 2.808 125.377 122.820 -0.418 0.000 2.343 31 A HA 0.781 5.124 4.320 0.038 0.000 0.308 31 A C -1.166 175.942 177.584 -0.793 0.000 1.092 31 A CA -0.651 51.057 52.037 -0.548 0.000 0.751 31 A CB 0.372 19.040 19.000 -0.554 0.000 1.203 31 A HN 0.679 nan 8.150 nan 0.000 0.452 32 F N 3.131 122.941 119.950 -0.232 0.000 2.359 32 F HA 0.475 5.024 4.527 0.038 0.000 0.369 32 F C -0.132 175.504 175.800 -0.273 0.000 1.084 32 F CA -0.374 57.561 58.000 -0.108 0.000 1.096 32 F CB 1.119 40.229 39.000 0.183 0.000 1.335 32 F HN 0.348 nan 8.300 nan 0.000 0.457 33 L N 2.048 123.116 121.223 -0.259 0.000 2.325 33 L HA 0.735 5.098 4.340 0.038 0.000 0.278 33 L C 0.949 177.720 176.870 -0.163 0.000 1.023 33 L CA -1.056 53.584 54.840 -0.333 0.000 0.811 33 L CB 1.624 43.276 42.059 -0.678 0.000 1.249 33 L HN 0.812 nan 8.230 nan 0.000 0.431 34 G N 2.788 111.555 108.800 -0.055 0.000 2.225 34 G HA2 -0.241 3.741 3.960 0.038 0.000 0.264 34 G HA3 -0.241 3.741 3.960 0.038 0.000 0.264 34 G C -0.111 174.814 174.900 0.040 0.000 1.060 34 G CA -0.357 44.714 45.100 -0.049 0.000 0.833 34 G HN 0.478 nan 8.290 nan 0.000 0.498 35 I N 2.038 122.661 120.570 0.089 0.000 2.416 35 I HA 0.239 4.432 4.170 0.038 0.000 0.288 35 I C -1.409 174.794 176.117 0.143 0.000 1.051 35 I CA -2.095 59.246 61.300 0.067 0.000 1.375 35 I CB 1.102 39.098 38.000 -0.006 0.000 1.407 35 I HN -0.008 nan 8.210 nan 0.000 0.516 36 P HA 0.075 nan 4.420 nan 0.000 0.281 36 P C -0.307 176.924 177.300 -0.114 0.000 1.252 36 P CA -0.073 62.928 63.100 -0.164 0.000 0.778 36 P CB 0.666 32.285 31.700 -0.135 0.000 0.895 37 F N 1.062 120.845 119.950 -0.278 0.000 2.706 37 F HA 0.735 5.285 4.527 0.038 0.000 0.313 37 F C 0.041 175.816 175.800 -0.042 0.000 1.096 37 F CA -0.772 57.123 58.000 -0.176 0.000 1.219 37 F CB 0.201 39.001 39.000 -0.334 0.000 1.051 37 F HN 0.350 nan 8.300 nan 0.000 0.568 38 A N 0.030 122.555 122.820 -0.492 0.000 2.606 38 A HA 0.564 4.907 4.320 0.038 0.000 0.293 38 A C -0.924 176.494 177.584 -0.276 0.000 1.082 38 A CA -0.821 51.037 52.037 -0.298 0.000 0.685 38 A CB 0.940 19.715 19.000 -0.375 0.000 1.284 38 A HN 0.059 nan 8.150 nan 0.000 0.408 39 E N 1.193 121.312 120.200 -0.134 0.000 2.414 39 E HA 0.220 4.593 4.350 0.038 0.000 0.263 39 E C -2.305 174.199 176.600 -0.160 0.000 1.000 39 E CA -1.249 55.089 56.400 -0.104 0.000 0.914 39 E CB -0.037 29.638 29.700 -0.042 0.000 0.948 39 E HN 0.232 nan 8.360 nan 0.000 0.444 40 P HA -0.036 nan 4.420 nan 0.000 0.260 40 P C -2.214 175.015 177.300 -0.117 0.000 1.172 40 P CA -0.513 62.497 63.100 -0.149 0.000 0.760 40 P CB -0.011 31.640 31.700 -0.081 0.000 0.773 41 P HA 0.024 nan 4.420 nan 0.000 0.220 41 P C -0.384 176.854 177.300 -0.104 0.000 1.806 41 P CA 0.071 63.110 63.100 -0.101 0.000 0.976 41 P CB -0.046 31.596 31.700 -0.097 0.000 1.952 42 V N -2.110 117.750 119.914 -0.090 0.000 3.177 42 V HA 0.892 5.035 4.120 0.038 0.000 0.319 42 V C 1.090 177.138 176.094 -0.076 0.000 1.125 42 V CA 0.085 62.330 62.300 -0.092 0.000 1.029 42 V CB 0.727 32.503 31.823 -0.077 0.000 1.119 42 V HN 0.544 nan 8.190 nan 0.000 0.452 43 G N 2.004 110.759 108.800 -0.075 0.000 2.665 43 G HA2 -0.387 3.595 3.960 0.038 0.000 0.326 43 G HA3 -0.387 3.595 3.960 0.038 0.000 0.326 43 G C 1.350 176.220 174.900 -0.050 0.000 1.231 43 G CA 2.044 47.112 45.100 -0.053 0.000 0.992 43 G HN 2.397 nan 8.290 nan 0.000 0.549 44 S N 0.496 116.180 115.700 -0.027 0.000 2.507 44 S HA 0.065 4.557 4.470 0.038 0.000 0.235 44 S C 1.935 176.526 174.600 -0.015 0.000 0.988 44 S CA 1.542 59.736 58.200 -0.010 0.000 0.944 44 S CB -0.068 63.133 63.200 0.003 0.000 0.762 44 S HN 0.666 nan 8.310 nan 0.000 0.526 45 R N 0.647 121.123 120.500 -0.040 0.000 2.317 45 R HA 0.259 4.622 4.340 0.038 0.000 0.208 45 R C 0.822 177.071 176.300 -0.084 0.000 0.914 45 R CA -0.257 55.818 56.100 -0.042 0.000 1.060 45 R CB 0.053 30.328 30.300 -0.042 0.000 1.015 45 R HN 0.396 nan 8.270 nan 0.000 0.498 46 R N 0.701 121.103 120.500 -0.163 0.000 2.537 46 R HA -0.094 4.269 4.340 0.038 0.000 0.280 46 R C -0.344 175.737 176.300 -0.364 0.000 1.058 46 R CA 0.472 56.336 56.100 -0.394 0.000 1.057 46 R CB 0.190 30.111 30.300 -0.632 0.000 0.973 46 R HN 0.089 nan 8.270 nan 0.000 0.438 47 F N -0.774 119.178 119.950 0.003 0.000 2.748 47 F HA -0.319 4.231 4.527 0.038 0.000 0.370 47 F C 0.072 175.852 175.800 -0.033 0.000 0.620 47 F CA 0.736 58.712 58.000 -0.039 0.000 1.233 47 F CB -1.774 37.192 39.000 -0.057 0.000 1.708 47 F HN 0.472 nan 8.300 nan 0.000 0.298 48 M N 0.782 120.440 119.600 0.097 0.000 2.444 48 M HA 0.435 4.938 4.480 0.038 0.000 0.319 48 M C -2.012 174.310 176.300 0.036 0.000 1.183 48 M CA -1.545 53.794 55.300 0.065 0.000 1.032 48 M CB 0.730 33.357 32.600 0.045 0.000 1.569 48 M HN -0.376 nan 8.290 nan 0.000 0.468 49 P HA 0.083 nan 4.420 nan 0.000 0.268 49 P C -2.434 174.889 177.300 0.038 0.000 1.208 49 P CA -0.490 62.637 63.100 0.045 0.000 0.777 49 P CB -0.358 31.379 31.700 0.061 0.000 0.875 50 P HA 0.205 nan 4.420 nan 0.000 0.278 50 P C -0.762 176.569 177.300 0.052 0.000 1.238 50 P CA -0.041 63.080 63.100 0.036 0.000 0.794 50 P CB 1.065 32.805 31.700 0.067 0.000 0.955 51 E N 2.740 122.956 120.200 0.028 0.000 2.207 51 E HA 0.376 4.749 4.350 0.038 0.000 0.270 51 E C -2.165 174.468 176.600 0.055 0.000 0.927 51 E CA -2.429 53.998 56.400 0.045 0.000 0.799 51 E CB 1.010 30.727 29.700 0.029 0.000 1.172 51 E HN 0.407 nan 8.360 nan 0.000 0.404 52 P HA -0.039 nan 4.420 nan 0.000 0.268 52 P C -0.672 176.691 177.300 0.105 0.000 1.205 52 P CA -0.225 62.952 63.100 0.127 0.000 0.771 52 P CB 0.589 32.374 31.700 0.142 0.000 0.858 53 K N 3.941 124.421 120.400 0.133 0.000 2.451 53 K HA 0.007 4.350 4.320 0.038 0.000 0.280 53 K C 0.283 176.989 176.600 0.178 0.000 1.020 53 K CA 0.254 56.626 56.287 0.141 0.000 1.008 53 K CB 0.081 32.703 32.500 0.204 0.000 0.917 53 K HN 0.282 nan 8.250 nan 0.000 0.478 54 R N 5.002 125.590 120.500 0.146 0.000 2.643 54 R HA 0.136 4.499 4.340 0.038 0.000 0.270 54 R C -2.022 174.380 176.300 0.170 0.000 1.061 54 R CA -1.580 54.594 56.100 0.123 0.000 1.107 54 R CB 0.090 30.448 30.300 0.097 0.000 0.999 54 R HN 0.575 nan 8.270 nan 0.000 0.460 55 P HA -0.090 nan 4.420 nan 0.000 0.267 55 P C -1.205 176.110 177.300 0.025 0.000 1.200 55 P CA 0.225 63.241 63.100 -0.140 0.000 0.772 55 P CB 0.331 31.930 31.700 -0.168 0.000 0.855 56 W N 0.994 122.331 121.300 0.062 0.000 2.820 56 W HA 0.706 5.388 4.660 0.038 0.000 0.350 56 W C -0.666 175.881 176.519 0.047 0.000 1.116 56 W CA -1.039 56.339 57.345 0.055 0.000 1.146 56 W CB 0.065 29.565 29.460 0.067 0.000 1.433 56 W HN 0.365 nan 8.180 nan 0.000 0.561 57 S N 1.356 117.242 115.700 0.310 0.000 2.654 57 S HA 0.824 5.316 4.470 0.038 0.000 0.283 57 S C 0.537 175.298 174.600 0.269 0.000 1.180 57 S CA 0.101 58.415 58.200 0.190 0.000 1.021 57 S CB 0.895 64.169 63.200 0.123 0.000 1.018 57 S HN 2.205 nan 8.310 nan 0.000 0.532 58 G N 0.323 109.229 108.800 0.178 0.000 2.569 58 G HA2 -0.170 3.813 3.960 0.038 0.000 0.259 58 G HA3 -0.170 3.813 3.960 0.038 0.000 0.259 58 G C -0.654 174.386 174.900 0.233 0.000 1.263 58 G CA -0.229 44.971 45.100 0.167 0.000 0.928 58 G HN 1.688 nan 8.290 nan 0.000 0.572 59 V N 0.845 120.863 119.914 0.175 0.000 2.357 59 V HA 0.536 4.678 4.120 0.038 0.000 0.284 59 V C 0.501 176.663 176.094 0.114 0.000 1.018 59 V CA -0.416 61.990 62.300 0.177 0.000 0.841 59 V CB 1.191 33.083 31.823 0.114 0.000 0.991 59 V HN 0.850 nan 8.190 nan 0.000 0.437 60 L N 4.510 125.789 121.223 0.093 0.000 2.367 60 L HA 0.370 4.732 4.340 0.038 0.000 0.275 60 L C 0.262 177.095 176.870 -0.061 0.000 1.129 60 L CA 0.238 54.992 54.840 -0.144 0.000 0.839 60 L CB 0.861 42.583 42.059 -0.561 0.000 1.133 60 L HN 0.775 nan 8.230 nan 0.000 0.453 61 D N 4.410 124.759 120.400 -0.086 0.000 2.338 61 D HA 0.365 5.027 4.640 0.038 0.000 0.255 61 D C -0.147 176.102 176.300 -0.084 0.000 1.237 61 D CA 0.249 54.210 54.000 -0.064 0.000 0.883 61 D CB 0.972 41.727 40.800 -0.075 0.000 1.087 61 D HN 0.655 nan 8.370 nan 0.000 0.485 62 A N 3.355 126.151 122.820 -0.040 0.000 3.041 62 A HA 0.280 4.622 4.320 0.038 0.000 0.307 62 A C 0.987 178.489 177.584 -0.137 0.000 1.116 62 A CA -0.227 51.783 52.037 -0.046 0.000 1.001 62 A CB -0.288 18.785 19.000 0.121 0.000 1.112 62 A HN 0.583 nan 8.150 nan 0.000 0.556 63 T N -3.906 110.544 114.554 -0.174 0.000 3.054 63 T HA 0.304 4.677 4.350 0.038 0.000 0.255 63 T C 0.511 175.043 174.700 -0.279 0.000 1.035 63 T CA 0.563 62.524 62.100 -0.231 0.000 0.941 63 T CB 0.152 68.915 68.868 -0.175 0.000 1.026 63 T HN 0.373 nan 8.240 nan 0.000 0.533 64 T N 0.564 114.953 114.554 -0.274 0.000 2.909 64 T HA 0.606 4.978 4.350 0.038 0.000 0.299 64 T C -1.423 173.115 174.700 -0.269 0.000 1.073 64 T CA -0.807 61.127 62.100 -0.277 0.000 0.999 64 T CB 0.719 69.489 68.868 -0.164 0.000 1.098 64 T HN 0.081 nan 8.240 nan 0.000 0.477 65 F N 3.186 123.061 119.950 -0.125 0.000 2.518 65 F HA 0.328 4.878 4.527 0.038 0.000 0.359 65 F C 1.424 177.123 175.800 -0.167 0.000 1.118 65 F CA -0.079 57.850 58.000 -0.118 0.000 1.287 65 F CB 0.597 39.556 39.000 -0.068 0.000 1.132 65 F HN 0.441 nan 8.300 nan 0.000 0.587 66 Q N 1.549 121.360 119.800 0.017 0.000 2.272 66 Q HA 0.189 4.552 4.340 0.038 0.000 0.192 66 Q C -0.087 175.846 176.000 -0.112 0.000 1.059 66 Q CA -0.549 55.111 55.803 -0.238 0.000 1.084 66 Q CB 0.473 28.794 28.738 -0.694 0.000 1.139 66 Q HN 0.523 nan 8.270 nan 0.000 0.593 67 N N -0.346 118.263 118.700 -0.151 0.000 2.453 67 N HA 0.055 4.817 4.740 0.038 0.000 0.253 67 N C -0.575 174.926 175.510 -0.015 0.000 1.252 67 N CA 0.026 53.038 53.050 -0.062 0.000 0.917 67 N CB 0.502 38.962 38.487 -0.046 0.000 1.117 67 N HN 0.164 nan 8.380 nan 0.000 0.442 68 V N 1.588 121.468 119.914 -0.056 0.000 2.583 68 V HA 0.063 4.206 4.120 0.038 0.000 0.287 68 V C 0.626 176.678 176.094 -0.070 0.000 1.051 68 V CA -0.786 61.467 62.300 -0.079 0.000 1.010 68 V CB 0.871 32.611 31.823 -0.139 0.000 0.988 68 V HN 0.706 nan 8.190 nan 0.000 0.478 69 c N 4.685 123.256 118.600 -0.049 0.000 2.611 69 c HA 0.062 4.654 4.570 0.038 0.000 0.416 69 c C 0.543 174.576 174.090 -0.095 0.000 1.366 69 c CA -0.555 55.746 56.329 -0.047 0.000 1.761 69 c CB -1.102 41.406 42.510 -0.004 0.000 2.619 69 c HN 0.743 nan 8.230 nan 0.000 0.606 70 Y N 4.207 124.354 120.300 -0.254 0.000 2.805 70 Y HA 0.199 4.772 4.550 0.038 0.000 0.331 70 Y C 0.771 176.655 175.900 -0.027 0.000 1.241 70 Y CA 1.178 59.114 58.100 -0.274 0.000 1.546 70 Y CB 0.098 38.138 38.460 -0.700 0.000 1.248 70 Y HN 0.764 nan 8.280 nan 0.000 0.559 71 Q N 4.216 123.858 119.800 -0.263 0.000 2.633 71 Q HA 0.217 4.580 4.340 0.038 0.000 0.289 71 Q C -1.823 174.257 176.000 0.133 0.000 0.940 71 Q CA -1.219 54.660 55.803 0.126 0.000 0.785 71 Q CB 1.188 30.000 28.738 0.124 0.000 1.467 71 Q HN 0.640 nan 8.270 nan 0.000 0.401 72 Y N 1.034 121.497 120.300 0.273 0.000 2.597 72 Y HA 0.379 4.951 4.550 0.038 0.000 0.336 72 Y C -1.029 175.017 175.900 0.243 0.000 1.216 72 Y CA 0.290 58.576 58.100 0.311 0.000 1.463 72 Y CB 0.960 39.736 38.460 0.526 0.000 1.303 72 Y HN 0.434 nan 8.280 nan 0.000 0.576 73 V N 6.839 126.428 119.914 -0.543 0.000 2.448 73 V HA 0.106 4.249 4.120 0.038 0.000 0.295 73 V C -0.271 175.484 176.094 -0.566 0.000 1.025 73 V CA -1.172 60.914 62.300 -0.356 0.000 0.859 73 V CB 1.473 33.154 31.823 -0.236 0.000 0.988 73 V HN 0.811 nan 8.190 nan 0.000 0.431 74 D N 3.261 123.605 120.400 -0.094 0.000 2.425 74 D HA 0.086 4.749 4.640 0.038 0.000 0.247 74 D C 0.727 177.051 176.300 0.041 0.000 1.147 74 D CA 0.457 54.527 54.000 0.115 0.000 0.879 74 D CB 1.709 42.746 40.800 0.395 0.000 1.179 74 D HN 0.777 nan 8.370 nan 0.000 0.456 75 T N 0.984 115.558 114.554 0.032 0.000 3.058 75 T HA -0.013 4.360 4.350 0.038 0.000 0.278 75 T C 1.757 176.439 174.700 -0.029 0.000 0.974 75 T CA -0.405 61.695 62.100 -0.001 0.000 0.893 75 T CB 0.114 68.959 68.868 -0.039 0.000 1.138 75 T HN 0.268 nan 8.240 nan 0.000 0.529 76 L N 1.037 122.223 121.223 -0.061 0.000 2.021 76 L HA 0.035 4.398 4.340 0.038 0.000 0.215 76 L C -0.070 176.504 176.870 -0.494 0.000 1.074 76 L CA 1.779 56.409 54.840 -0.351 0.000 0.760 76 L CB -0.540 41.186 42.059 -0.555 0.000 0.889 76 L HN 0.432 nan 8.230 nan 0.000 0.433 77 Y N -0.426 119.888 120.300 0.022 0.000 2.658 77 Y HA 0.433 5.006 4.550 0.038 0.000 0.362 77 Y C -2.195 173.738 175.900 0.054 0.000 1.017 77 Y CA -3.420 54.678 58.100 -0.003 0.000 1.134 77 Y CB -0.312 38.122 38.460 -0.043 0.000 1.144 77 Y HN 0.068 nan 8.280 nan 0.000 0.655 78 P HA 0.045 nan 4.420 nan 0.000 0.258 78 P C 1.053 178.406 177.300 0.089 0.000 1.172 78 P CA 1.937 65.087 63.100 0.082 0.000 0.762 78 P CB 0.559 32.279 31.700 0.033 0.000 0.764 79 G N 2.826 111.668 108.800 0.071 0.000 2.225 79 G HA2 -0.293 3.690 3.960 0.038 0.000 0.254 79 G HA3 -0.293 3.690 3.960 0.038 0.000 0.254 79 G C 0.040 174.984 174.900 0.072 0.000 0.988 79 G CA -0.462 44.665 45.100 0.046 0.000 0.625 79 G HN 0.534 nan 8.290 nan 0.000 0.527 80 F N 3.087 122.991 119.950 -0.077 0.000 2.472 80 F HA 0.495 5.045 4.527 0.037 0.000 0.364 80 F C 1.491 177.187 175.800 -0.174 0.000 1.090 80 F CA -0.396 57.506 58.000 -0.163 0.000 1.188 80 F CB 0.496 39.368 39.000 -0.213 0.000 1.105 80 F HN 0.269 nan 8.300 nan 0.000 0.536 81 E N 3.542 123.371 120.200 -0.618 0.000 2.118 81 E HA -0.193 4.179 4.350 0.038 0.000 0.195 81 E C 2.213 178.316 176.600 -0.829 0.000 0.992 81 E CA 1.179 57.212 56.400 -0.611 0.000 0.804 81 E CB -0.212 29.198 29.700 -0.484 0.000 0.741 81 E HN 0.995 nan 8.360 nan 0.000 0.458 82 G N 1.078 108.820 108.800 -1.762 0.000 2.475 82 G HA2 -0.329 3.653 3.960 0.038 0.000 0.220 82 G HA3 -0.329 3.653 3.960 0.038 0.000 0.220 82 G C 1.749 176.590 174.900 -0.099 0.000 1.125 82 G CA 1.782 46.099 45.100 -1.306 0.000 0.755 82 G HN 0.408 nan 8.290 nan 0.000 0.565 83 T N -2.049 112.441 114.554 -0.106 0.000 3.046 83 T HA 0.141 4.514 4.350 0.038 0.000 0.242 83 T C 1.903 176.741 174.700 0.230 0.000 1.018 83 T CA 0.714 63.080 62.100 0.444 0.000 1.131 83 T CB 0.020 69.221 68.868 0.555 0.000 0.904 83 T HN 0.144 nan 8.240 nan 0.000 0.459 84 E N 2.487 122.688 120.200 0.003 0.000 2.209 84 E HA -0.124 4.249 4.350 0.038 0.000 0.196 84 E C 2.223 178.723 176.600 -0.168 0.000 0.993 84 E CA 1.350 57.717 56.400 -0.056 0.000 0.819 84 E CB -0.559 29.079 29.700 -0.103 0.000 0.745 84 E HN 0.790 nan 8.360 nan 0.000 0.477 85 M N -2.271 117.127 119.600 -0.336 0.000 2.446 85 M HA -0.074 4.429 4.480 0.038 0.000 0.263 85 M C 1.236 177.123 176.300 -0.688 0.000 1.066 85 M CA 1.435 56.380 55.300 -0.592 0.000 1.087 85 M CB -0.507 31.611 32.600 -0.804 0.000 1.406 85 M HN 0.010 nan 8.290 nan 0.000 0.459 86 W N 0.925 122.175 121.300 -0.084 0.000 3.177 86 W HA 0.294 4.976 4.660 0.037 0.000 0.309 86 W C 0.399 176.860 176.519 -0.097 0.000 1.224 86 W CA -0.998 56.287 57.345 -0.100 0.000 1.718 86 W CB -0.100 29.358 29.460 -0.003 0.000 1.078 86 W HN 0.096 nan 8.180 nan 0.000 0.618 87 N N 1.581 120.321 118.700 0.068 0.000 2.467 87 N HA 0.136 4.899 4.740 0.038 0.000 0.262 87 N C -2.383 173.078 175.510 -0.082 0.000 1.234 87 N CA -1.342 51.715 53.050 0.011 0.000 0.952 87 N CB -0.130 38.356 38.487 -0.001 0.000 1.158 87 N HN -0.335 nan 8.380 nan 0.000 0.463 88 P HA 0.042 nan 4.420 nan 0.000 0.266 88 P C 0.200 177.415 177.300 -0.142 0.000 1.195 88 P CA 0.094 63.108 63.100 -0.143 0.000 0.768 88 P CB 0.331 31.944 31.700 -0.147 0.000 0.838 89 N N 2.015 120.616 118.700 -0.164 0.000 2.235 89 N HA 0.112 4.875 4.740 0.038 0.000 0.231 89 N C 0.030 175.471 175.510 -0.115 0.000 1.177 89 N CA -0.114 52.848 53.050 -0.146 0.000 0.874 89 N CB 0.443 38.823 38.487 -0.179 0.000 1.097 89 N HN 0.159 nan 8.380 nan 0.000 0.518 90 R N -0.062 120.371 120.500 -0.112 0.000 2.795 90 R HA 0.311 4.674 4.340 0.038 0.000 0.268 90 R C -0.462 175.786 176.300 -0.087 0.000 1.041 90 R CA -0.579 55.471 56.100 -0.082 0.000 0.927 90 R CB 0.767 31.026 30.300 -0.069 0.000 1.235 90 R HN 0.096 nan 8.270 nan 0.000 0.463 91 E N 1.616 121.774 120.200 -0.070 0.000 2.442 91 E HA 0.069 4.441 4.350 0.038 0.000 0.262 91 E C 0.009 176.564 176.600 -0.075 0.000 1.004 91 E CA 0.170 56.532 56.400 -0.065 0.000 0.928 91 E CB 0.500 30.173 29.700 -0.046 0.000 0.937 91 E HN 0.265 nan 8.360 nan 0.000 0.446 92 L N 1.824 122.992 121.223 -0.091 0.000 2.371 92 L HA 0.254 4.616 4.340 0.038 0.000 0.272 92 L C 0.683 177.569 176.870 0.028 0.000 1.124 92 L CA 0.021 54.785 54.840 -0.127 0.000 0.816 92 L CB 0.933 42.770 42.059 -0.369 0.000 1.129 92 L HN 0.430 nan 8.230 nan 0.000 0.448 93 S N 0.834 116.570 115.700 0.060 0.000 2.580 93 S HA 0.160 4.652 4.470 0.038 0.000 0.281 93 S C 0.029 174.623 174.600 -0.009 0.000 1.129 93 S CA -0.680 57.563 58.200 0.071 0.000 0.862 93 S CB 1.439 64.650 63.200 0.019 0.000 1.090 93 S HN 0.742 nan 8.310 nan 0.000 0.451 94 E N 0.910 121.046 120.200 -0.106 0.000 2.358 94 E HA -0.025 4.348 4.350 0.038 0.000 0.195 94 E C -0.307 176.230 176.600 -0.104 0.000 1.010 94 E CA 0.393 56.673 56.400 -0.201 0.000 0.856 94 E CB 0.121 29.650 29.700 -0.285 0.000 0.795 94 E HN 0.535 nan 8.360 nan 0.000 0.504 95 D N 0.486 120.862 120.400 -0.041 0.000 2.483 95 D HA 0.000 4.663 4.640 0.038 0.000 0.220 95 D C 0.072 176.455 176.300 0.138 0.000 1.173 95 D CA -0.349 53.660 54.000 0.016 0.000 0.964 95 D CB 0.034 40.860 40.800 0.044 0.000 1.046 95 D HN 0.142 nan 8.370 nan 0.000 0.517 96 c N 2.401 121.045 118.600 0.074 0.000 3.772 96 c HA 0.375 4.968 4.570 0.038 0.000 0.293 96 c C 0.700 174.836 174.090 0.078 0.000 1.659 96 c CA -0.668 55.776 56.329 0.191 0.000 1.810 96 c CB -1.266 41.292 42.510 0.079 0.000 3.059 96 c HN 0.440 nan 8.230 nan 0.000 0.617 97 L N 2.575 123.558 121.223 -0.400 0.000 2.415 97 L HA 0.372 4.735 4.340 0.038 0.000 0.269 97 L C -0.921 175.212 176.870 -1.227 0.000 1.244 97 L CA 0.610 54.986 54.840 -0.774 0.000 1.113 97 L CB -0.751 40.728 42.059 -0.966 0.000 1.352 97 L HN 0.391 nan 8.230 nan 0.000 0.433 98 Y N 1.937 122.192 120.300 -0.074 0.000 2.545 98 Y HA 0.639 5.211 4.550 0.038 0.000 0.348 98 Y C -0.081 176.034 175.900 0.358 0.000 1.002 98 Y CA -1.250 56.907 58.100 0.095 0.000 1.039 98 Y CB 1.981 40.449 38.460 0.014 0.000 1.271 98 Y HN 0.201 nan 8.280 nan 0.000 0.467 99 L N -0.160 121.267 121.223 0.340 0.000 2.283 99 L HA 0.789 5.152 4.340 0.038 0.000 0.259 99 L C -1.220 175.674 176.870 0.040 0.000 1.027 99 L CA -1.162 53.752 54.840 0.123 0.000 0.828 99 L CB 1.638 43.583 42.059 -0.191 0.000 1.380 99 L HN 0.471 nan 8.230 nan 0.000 0.425 100 N N -0.039 118.689 118.700 0.047 0.000 2.240 100 N HA 0.741 5.503 4.740 0.038 0.000 0.302 100 N C -1.519 173.947 175.510 -0.073 0.000 1.106 100 N CA -0.431 52.571 53.050 -0.081 0.000 0.778 100 N CB 2.841 41.266 38.487 -0.104 0.000 1.431 100 N HN 0.505 nan 8.380 nan 0.000 0.479 101 V N 1.280 121.091 119.914 -0.170 0.000 2.577 101 V HA 0.471 4.613 4.120 0.038 0.000 0.303 101 V C -0.874 175.255 176.094 0.057 0.000 1.042 101 V CA -0.774 61.530 62.300 0.007 0.000 0.872 101 V CB 2.284 33.990 31.823 -0.196 0.000 0.998 101 V HN 0.550 nan 8.190 nan 0.000 0.423 102 W N 2.860 124.283 121.300 0.204 0.000 2.632 102 W HA 0.711 5.394 4.660 0.038 0.000 0.328 102 W C 0.110 176.758 176.519 0.214 0.000 1.044 102 W CA -0.411 57.049 57.345 0.191 0.000 1.225 102 W CB 2.511 32.056 29.460 0.141 0.000 1.396 102 W HN 0.674 nan 8.180 nan 0.000 0.499 103 T N 0.032 114.864 114.554 0.463 0.000 2.864 103 T HA 0.533 4.906 4.350 0.038 0.000 0.299 103 T C -2.818 172.066 174.700 0.307 0.000 1.166 103 T CA -2.127 60.193 62.100 0.367 0.000 1.007 103 T CB 2.351 71.466 68.868 0.412 0.000 1.219 103 T HN 0.043 nan 8.240 nan 0.000 0.506 104 P HA 0.208 nan 4.420 nan 0.000 0.272 104 P C -1.539 175.905 177.300 0.240 0.000 1.230 104 P CA -0.247 62.975 63.100 0.202 0.000 0.788 104 P CB 0.316 32.100 31.700 0.140 0.000 0.949 105 Y N 3.444 123.800 120.300 0.094 0.000 2.328 105 Y HA 0.379 4.952 4.550 0.038 0.000 0.333 105 Y C -2.035 173.901 175.900 0.060 0.000 0.958 105 Y CA -2.419 55.729 58.100 0.079 0.000 1.167 105 Y CB 1.110 39.604 38.460 0.055 0.000 1.151 105 Y HN 0.293 nan 8.280 nan 0.000 0.470 106 P HA 0.188 nan 4.420 nan 0.000 0.272 106 P C -0.796 176.452 177.300 -0.087 0.000 1.240 106 P CA -0.383 62.472 63.100 -0.407 0.000 0.791 106 P CB 1.085 32.592 31.700 -0.321 0.000 0.978 107 R N 1.224 121.712 120.500 -0.020 0.000 2.583 107 R HA 0.100 4.463 4.340 0.038 0.000 0.274 107 R C -1.846 174.484 176.300 0.049 0.000 0.998 107 R CA -0.964 55.186 56.100 0.083 0.000 1.081 107 R CB -1.130 29.231 30.300 0.101 0.000 0.940 107 R HN 0.431 nan 8.270 nan 0.000 0.413 108 P HA -0.140 nan 4.420 nan 0.000 0.263 108 P C 0.023 177.343 177.300 0.033 0.000 1.168 108 P CA 0.506 63.640 63.100 0.056 0.000 0.759 108 P CB 0.585 32.330 31.700 0.075 0.000 0.782 109 A N 2.683 125.514 122.820 0.019 0.000 1.929 109 A HA 0.023 4.365 4.320 0.038 0.000 0.216 109 A C 0.937 178.527 177.584 0.009 0.000 1.176 109 A CA 1.508 53.550 52.037 0.008 0.000 0.628 109 A CB -0.590 18.411 19.000 0.002 0.000 0.816 109 A HN 0.621 nan 8.150 nan 0.000 0.444 110 S N -1.167 114.542 115.700 0.014 0.000 2.607 110 S HA 0.620 5.113 4.470 0.038 0.000 0.303 110 S C -3.173 171.438 174.600 0.019 0.000 1.086 110 S CA -1.894 56.312 58.200 0.010 0.000 0.995 110 S CB 1.098 64.301 63.200 0.005 0.000 1.084 110 S HN -0.019 nan 8.310 nan 0.000 0.507 111 P HA 0.150 nan 4.420 nan 0.000 0.258 111 P C -0.640 176.672 177.300 0.021 0.000 1.187 111 P CA 0.471 63.583 63.100 0.019 0.000 0.767 111 P CB -0.063 31.639 31.700 0.004 0.000 0.770 112 T N 6.575 121.153 114.554 0.040 0.000 2.875 112 T HA 0.375 4.748 4.350 0.038 0.000 0.284 112 T C -2.271 172.453 174.700 0.040 0.000 0.995 112 T CA -1.756 60.369 62.100 0.042 0.000 1.060 112 T CB 0.665 69.573 68.868 0.066 0.000 0.967 112 T HN 0.239 nan 8.240 nan 0.000 0.476 113 P HA 0.153 nan 4.420 nan 0.000 0.268 113 P C -0.796 176.536 177.300 0.052 0.000 1.205 113 P CA -0.234 62.876 63.100 0.017 0.000 0.771 113 P CB 0.497 32.189 31.700 -0.014 0.000 0.858 114 V N 4.666 124.625 119.914 0.076 0.000 2.427 114 V HA 0.307 4.450 4.120 0.038 0.000 0.286 114 V C 0.608 176.777 176.094 0.126 0.000 1.034 114 V CA -0.619 61.750 62.300 0.115 0.000 0.893 114 V CB 1.232 33.137 31.823 0.138 0.000 0.982 114 V HN 0.390 nan 8.190 nan 0.000 0.452 115 L N 5.693 127.003 121.223 0.145 0.000 2.313 115 L HA 0.594 4.957 4.340 0.038 0.000 0.283 115 L C -0.631 176.460 176.870 0.368 0.000 1.013 115 L CA -0.230 54.709 54.840 0.164 0.000 0.816 115 L CB 1.611 43.653 42.059 -0.028 0.000 1.236 115 L HN 0.500 nan 8.230 nan 0.000 0.419 116 I N 3.149 123.978 120.570 0.431 0.000 2.382 116 I HA 0.212 4.405 4.170 0.038 0.000 0.286 116 I C -0.673 175.745 176.117 0.500 0.000 1.002 116 I CA -0.434 61.105 61.300 0.398 0.000 1.135 116 I CB 1.385 39.493 38.000 0.180 0.000 1.288 116 I HN 0.628 nan 8.210 nan 0.000 0.448 117 W N 8.513 129.951 121.300 0.231 0.000 2.365 117 W HA 0.569 5.251 4.660 0.037 0.000 0.316 117 W C -1.489 174.935 176.519 -0.159 0.000 1.164 117 W CA -0.569 56.677 57.345 -0.165 0.000 1.204 117 W CB 1.217 30.584 29.460 -0.156 0.000 1.213 117 W HN 0.344 nan 8.180 nan 0.000 0.539 118 I N 8.985 128.867 120.570 -1.146 0.000 2.448 118 I HA 0.065 4.257 4.170 0.038 0.000 0.281 118 I C -0.269 175.036 176.117 -1.352 0.000 1.027 118 I CA -1.082 59.644 61.300 -0.956 0.000 1.111 118 I CB 0.732 38.339 38.000 -0.655 0.000 1.236 118 I HN 0.307 nan 8.210 nan 0.000 0.452 119 Y N 4.556 124.374 120.300 -0.803 0.000 2.385 119 Y HA 0.660 5.233 4.550 0.038 0.000 0.346 119 Y C 0.786 176.502 175.900 -0.308 0.000 1.270 119 Y CA -0.683 57.075 58.100 -0.570 0.000 1.472 119 Y CB -0.079 38.294 38.460 -0.146 0.000 1.354 119 Y HN 0.495 nan 8.280 nan 0.000 0.611 120 G N -1.294 107.516 108.800 0.017 0.000 2.671 120 G HA2 0.507 4.490 3.960 0.038 0.000 0.275 120 G HA3 0.507 4.490 3.960 0.038 0.000 0.275 120 G C 0.151 174.994 174.900 -0.095 0.000 1.368 120 G CA -0.961 44.062 45.100 -0.128 0.000 1.044 120 G HN 1.690 nan 8.290 nan 0.000 0.543 121 G N -2.666 105.913 108.800 -0.368 0.000 2.263 121 G HA2 0.417 4.399 3.960 0.038 0.000 0.207 121 G HA3 0.417 4.399 3.960 0.038 0.000 0.207 121 G C 0.992 175.337 174.900 -0.923 0.000 1.072 121 G CA 0.691 45.458 45.100 -0.554 0.000 0.800 121 G HN 2.293 nan 8.290 nan 0.000 0.491 122 G N -0.417 107.816 108.800 -0.944 0.000 2.233 122 G HA2 -0.139 3.844 3.960 0.038 0.000 0.270 122 G HA3 -0.139 3.844 3.960 0.038 0.000 0.270 122 G C 0.935 175.465 174.900 -0.616 0.000 1.011 122 G CA 0.811 45.069 45.100 -1.404 0.000 0.762 122 G HN 1.757 nan 8.290 nan 0.000 0.511 123 F N -3.369 116.404 119.950 -0.294 0.000 2.871 123 F HA -0.311 4.239 4.527 0.038 0.000 0.326 123 F C 1.451 177.321 175.800 0.117 0.000 0.675 123 F CA 2.148 60.117 58.000 -0.051 0.000 1.188 123 F CB -2.038 36.804 39.000 -0.262 0.000 1.567 123 F HN 0.924 nan 8.300 nan 0.000 0.325 124 Y N -1.270 119.102 120.300 0.119 0.000 2.500 124 Y HA 0.669 5.241 4.550 0.037 0.000 0.246 124 Y C 0.551 176.563 175.900 0.187 0.000 1.146 124 Y CA 0.210 58.414 58.100 0.173 0.000 1.230 124 Y CB -0.037 38.451 38.460 0.045 0.000 1.214 124 Y HN 0.079 nan 8.280 nan 0.000 0.526 125 S N -0.966 114.522 115.700 -0.354 0.000 2.672 125 S HA 0.873 5.366 4.470 0.038 0.000 0.271 125 S C -0.156 174.308 174.600 -0.228 0.000 1.171 125 S CA -0.532 57.525 58.200 -0.238 0.000 0.817 125 S CB 1.454 64.465 63.200 -0.314 0.000 1.150 125 S HN 1.376 nan 8.310 nan 0.000 0.478 126 G N -0.665 107.968 108.800 -0.279 0.000 2.497 126 G HA2 0.545 4.528 3.960 0.038 0.000 0.686 126 G HA3 0.545 4.528 3.960 0.038 0.000 0.686 126 G C -0.644 173.637 174.900 -1.032 0.000 1.288 126 G CA -0.262 44.511 45.100 -0.545 0.000 0.899 126 G HN 2.274 nan 8.290 nan 0.000 0.608 127 A N -1.241 120.803 122.820 -1.292 0.000 2.599 127 A HA 0.989 5.332 4.320 0.038 0.000 0.294 127 A C 0.538 177.887 177.584 -0.392 0.000 1.055 127 A CA 0.676 52.175 52.037 -0.896 0.000 0.683 127 A CB 0.819 19.580 19.000 -0.399 0.000 1.278 127 A HN 2.596 nan 8.150 nan 0.000 0.412 128 A N 0.382 123.235 122.820 0.054 0.000 2.238 128 A HA 0.294 4.637 4.320 0.038 0.000 0.208 128 A C 1.626 179.248 177.584 0.063 0.000 1.177 128 A CA 1.688 53.942 52.037 0.362 0.000 0.804 128 A CB -0.590 18.692 19.000 0.471 0.000 0.823 128 A HN 1.829 nan 8.150 nan 0.000 0.482 129 S N -0.628 114.868 115.700 -0.341 0.000 2.556 129 S HA 0.320 4.812 4.470 0.038 0.000 0.216 129 S C 0.506 174.687 174.600 -0.697 0.000 0.970 129 S CA -0.464 57.098 58.200 -1.064 0.000 0.912 129 S CB -0.562 61.945 63.200 -1.154 0.000 0.790 129 S HN 0.375 nan 8.310 nan 0.000 0.504 130 L N 2.409 123.370 121.223 -0.437 0.000 2.483 130 L HA 0.122 4.485 4.340 0.038 0.000 0.276 130 L C 1.146 177.696 176.870 -0.533 0.000 1.213 130 L CA -0.381 54.143 54.840 -0.527 0.000 0.843 130 L CB 0.234 41.856 42.059 -0.727 0.000 1.107 130 L HN 0.131 nan 8.230 nan 0.000 0.487 131 D N 1.157 121.283 120.400 -0.455 0.000 2.178 131 D HA -0.130 4.533 4.640 0.038 0.000 0.201 131 D C 1.989 178.024 176.300 -0.441 0.000 0.980 131 D CA 1.301 55.100 54.000 -0.335 0.000 0.842 131 D CB -0.031 40.616 40.800 -0.254 0.000 0.948 131 D HN 0.547 nan 8.370 nan 0.000 0.472 132 V N -1.195 118.305 119.914 -0.691 0.000 3.078 132 V HA -0.163 3.980 4.120 0.038 0.000 0.265 132 V C 1.105 176.639 176.094 -0.933 0.000 1.122 132 V CA 1.033 62.896 62.300 -0.729 0.000 1.141 132 V CB -1.166 30.183 31.823 -0.790 0.000 0.735 132 V HN 0.045 nan 8.190 nan 0.000 0.498 133 Y N 0.023 119.787 120.300 -0.894 0.000 2.607 133 Y HA 0.453 5.025 4.550 0.037 0.000 0.266 133 Y C 0.844 176.163 175.900 -0.969 0.000 1.178 133 Y CA -2.001 55.178 58.100 -1.535 0.000 1.226 133 Y CB -0.730 37.169 38.460 -0.935 0.000 1.144 133 Y HN 0.232 nan 8.280 nan 0.000 0.528 134 D N 0.973 121.101 120.400 -0.454 0.000 2.412 134 D HA 0.026 4.688 4.640 0.038 0.000 0.257 134 D C 1.322 177.319 176.300 -0.507 0.000 1.217 134 D CA 0.547 54.344 54.000 -0.339 0.000 0.897 134 D CB 1.310 42.047 40.800 -0.106 0.000 1.132 134 D HN 0.479 nan 8.370 nan 0.000 0.493 135 G N 4.210 112.121 108.800 -1.482 0.000 3.088 135 G HA2 -0.129 3.853 3.960 0.038 0.000 0.212 135 G HA3 -0.129 3.853 3.960 0.038 0.000 0.212 135 G C 1.513 175.865 174.900 -0.913 0.000 1.173 135 G CA -0.095 44.330 45.100 -1.126 0.000 0.779 135 G HN 0.577 nan 8.290 nan 0.000 0.540 136 R N -0.311 119.640 120.500 -0.915 0.000 2.075 136 R HA -0.035 4.327 4.340 0.038 0.000 0.232 136 R C 1.654 177.713 176.300 -0.401 0.000 1.126 136 R CA 1.029 56.809 56.100 -0.534 0.000 0.963 136 R CB -0.833 29.156 30.300 -0.519 0.000 0.858 136 R HN 0.279 nan 8.270 nan 0.000 0.435 137 F N 1.957 121.834 119.950 -0.122 0.000 2.069 137 F HA -0.083 4.467 4.527 0.039 0.000 0.298 137 F C 2.544 178.297 175.800 -0.080 0.000 1.113 137 F CA 1.156 59.106 58.000 -0.084 0.000 1.214 137 F CB -0.818 38.125 39.000 -0.096 0.000 0.978 137 F HN -0.122 nan 8.300 nan 0.000 0.474 138 L N -0.366 120.899 121.223 0.070 0.000 2.083 138 L HA -0.223 4.139 4.340 0.038 0.000 0.209 138 L C 2.684 179.565 176.870 0.018 0.000 1.083 138 L CA 1.177 56.014 54.840 -0.006 0.000 0.752 138 L CB -0.948 41.055 42.059 -0.093 0.000 0.899 138 L HN 0.195 nan 8.230 nan 0.000 0.433 139 A N -1.063 121.771 122.820 0.023 0.000 1.873 139 A HA -0.229 4.113 4.320 0.038 0.000 0.215 139 A C 2.286 179.918 177.584 0.081 0.000 1.186 139 A CA 1.472 53.560 52.037 0.086 0.000 0.616 139 A CB -0.474 18.617 19.000 0.152 0.000 0.823 139 A HN 0.382 nan 8.150 nan 0.000 0.442 140 Q N -0.087 119.747 119.800 0.056 0.000 2.020 140 Q HA -0.084 4.279 4.340 0.038 0.000 0.198 140 Q C 2.207 178.245 176.000 0.063 0.000 0.974 140 Q CA 2.036 57.877 55.803 0.064 0.000 0.829 140 Q CB -0.335 28.427 28.738 0.041 0.000 0.894 140 Q HN 0.401 nan 8.270 nan 0.000 0.433 141 V N 1.380 121.332 119.914 0.064 0.000 2.453 141 V HA -0.132 4.011 4.120 0.038 0.000 0.247 141 V C 1.626 177.741 176.094 0.034 0.000 1.048 141 V CA 1.608 63.938 62.300 0.051 0.000 1.049 141 V CB -0.172 31.682 31.823 0.051 0.000 0.672 141 V HN 0.265 nan 8.190 nan 0.000 0.457 142 E N -0.522 119.696 120.200 0.031 0.000 2.526 142 E HA 0.225 4.598 4.350 0.038 0.000 0.208 142 E C 1.635 178.256 176.600 0.035 0.000 0.997 142 E CA 0.699 57.113 56.400 0.023 0.000 0.961 142 E CB 0.709 30.414 29.700 0.009 0.000 1.030 142 E HN 0.559 nan 8.360 nan 0.000 0.483 143 G N 1.958 110.789 108.800 0.051 0.000 2.198 143 G HA2 -0.311 3.672 3.960 0.038 0.000 0.260 143 G HA3 -0.311 3.672 3.960 0.038 0.000 0.260 143 G C 0.479 175.424 174.900 0.074 0.000 1.025 143 G CA 0.442 45.582 45.100 0.066 0.000 0.769 143 G HN 0.458 nan 8.290 nan 0.000 0.507 144 A N -0.886 121.976 122.820 0.071 0.000 2.322 144 A HA 0.728 5.071 4.320 0.038 0.000 0.269 144 A C 0.445 178.108 177.584 0.132 0.000 1.094 144 A CA -0.058 52.026 52.037 0.078 0.000 0.807 144 A CB 1.365 20.390 19.000 0.042 0.000 1.047 144 A HN 1.088 nan 8.150 nan 0.000 0.487 145 V N 3.051 123.050 119.914 0.142 0.000 2.348 145 V HA 0.315 4.458 4.120 0.038 0.000 0.270 145 V C -0.133 176.091 176.094 0.216 0.000 1.037 145 V CA -0.043 62.373 62.300 0.193 0.000 0.872 145 V CB 0.680 32.605 31.823 0.170 0.000 1.002 145 V HN 0.718 nan 8.190 nan 0.000 0.464 146 L N 6.619 128.025 121.223 0.304 0.000 2.322 146 L HA 0.751 5.114 4.340 0.038 0.000 0.281 146 L C -0.814 176.346 176.870 0.483 0.000 1.014 146 L CA -0.277 54.789 54.840 0.376 0.000 0.815 146 L CB 1.814 44.083 42.059 0.350 0.000 1.247 146 L HN 0.416 nan 8.230 nan 0.000 0.421 147 V N 2.998 123.175 119.914 0.438 0.000 2.604 147 V HA 0.691 4.833 4.120 0.038 0.000 0.305 147 V C -0.517 175.839 176.094 0.438 0.000 1.043 147 V CA -0.479 62.046 62.300 0.375 0.000 0.888 147 V CB 1.966 33.929 31.823 0.234 0.000 0.995 147 V HN 0.843 nan 8.190 nan 0.000 0.429 148 S N 5.094 121.050 115.700 0.426 0.000 2.547 148 S HA 0.867 5.360 4.470 0.038 0.000 0.281 148 S C -0.843 173.928 174.600 0.284 0.000 1.118 148 S CA -0.815 57.644 58.200 0.432 0.000 0.947 148 S CB 2.184 65.770 63.200 0.644 0.000 1.053 148 S HN 0.880 nan 8.310 nan 0.000 0.482 149 M N 1.353 121.071 119.600 0.198 0.000 2.662 149 M HA 0.671 5.174 4.480 0.038 0.000 0.310 149 M C -1.661 174.851 176.300 0.353 0.000 1.204 149 M CA -0.577 54.828 55.300 0.175 0.000 0.891 149 M CB 1.063 33.580 32.600 -0.138 0.000 1.732 149 M HN 0.540 nan 8.290 nan 0.000 0.467 150 N N 2.039 121.015 118.700 0.460 0.000 2.498 150 N HA 0.652 5.415 4.740 0.038 0.000 0.287 150 N C -1.529 174.253 175.510 0.453 0.000 1.097 150 N CA 0.052 53.392 53.050 0.483 0.000 0.973 150 N CB 0.820 39.524 38.487 0.363 0.000 1.153 150 N HN 0.710 nan 8.380 nan 0.000 0.472 151 Y N -1.728 118.747 120.300 0.291 0.000 2.553 151 Y HA 0.561 5.134 4.550 0.038 0.000 0.347 151 Y C -0.063 175.965 175.900 0.214 0.000 1.019 151 Y CA -1.311 56.910 58.100 0.200 0.000 1.032 151 Y CB 0.919 39.428 38.460 0.082 0.000 1.284 151 Y HN 0.178 nan 8.280 nan 0.000 0.466 152 R N 1.953 122.579 120.500 0.209 0.000 2.570 152 R HA 0.435 4.798 4.340 0.038 0.000 0.277 152 R C -0.222 176.217 176.300 0.231 0.000 1.039 152 R CA -0.040 56.143 56.100 0.139 0.000 1.065 152 R CB 0.690 31.041 30.300 0.085 0.000 0.964 152 R HN 0.730 nan 8.270 nan 0.000 0.428 153 V N -0.752 119.338 119.914 0.293 0.000 3.181 153 V HA 0.863 5.006 4.120 0.038 0.000 0.314 153 V C 0.756 177.170 176.094 0.533 0.000 1.173 153 V CA -0.141 62.453 62.300 0.489 0.000 1.052 153 V CB 1.143 33.165 31.823 0.331 0.000 1.123 153 V HN 0.986 nan 8.190 nan 0.000 0.454 154 G N 1.495 110.645 108.800 0.584 0.000 2.574 154 G HA2 -0.290 3.692 3.960 0.038 0.000 0.282 154 G HA3 -0.290 3.692 3.960 0.038 0.000 0.282 154 G C 1.022 176.088 174.900 0.277 0.000 1.257 154 G CA 1.537 46.916 45.100 0.465 0.000 0.956 154 G HN 2.362 nan 8.290 nan 0.000 0.560 155 T N -1.828 112.620 114.554 -0.176 0.000 2.746 155 T HA -0.047 4.326 4.350 0.038 0.000 0.267 155 T C 2.156 176.718 174.700 -0.229 0.000 1.039 155 T CA 2.521 64.260 62.100 -0.601 0.000 1.142 155 T CB -0.409 67.933 68.868 -0.878 0.000 0.866 155 T HN 0.592 nan 8.240 nan 0.000 0.444 156 F N 2.261 122.270 119.950 0.099 0.000 2.202 156 F HA 0.182 4.731 4.527 0.038 0.000 0.301 156 F C 2.729 178.520 175.800 -0.015 0.000 1.082 156 F CA 0.938 58.943 58.000 0.008 0.000 1.313 156 F CB -0.925 38.055 39.000 -0.034 0.000 1.024 156 F HN 0.394 nan 8.300 nan 0.000 0.495 157 G N -2.218 106.645 108.800 0.106 0.000 2.762 157 G HA2 0.048 4.031 3.960 0.038 0.000 0.209 157 G HA3 0.048 4.031 3.960 0.038 0.000 0.209 157 G C 0.808 175.228 174.900 -0.800 0.000 1.134 157 G CA 0.132 45.038 45.100 -0.324 0.000 0.781 157 G HN 0.345 nan 8.290 nan 0.000 0.528 158 F N -0.364 119.675 119.950 0.148 0.000 2.838 158 F HA 0.438 4.988 4.527 0.038 0.000 0.329 158 F C 0.355 176.228 175.800 0.121 0.000 1.116 158 F CA -0.939 57.125 58.000 0.106 0.000 1.155 158 F CB 0.453 39.513 39.000 0.100 0.000 1.106 158 F HN -0.078 nan 8.300 nan 0.000 0.538 159 L N 2.056 123.324 121.223 0.076 0.000 2.410 159 L HA 0.656 5.019 4.340 0.038 0.000 0.273 159 L C -0.103 176.720 176.870 -0.078 0.000 1.144 159 L CA -0.003 54.779 54.840 -0.096 0.000 0.863 159 L CB 0.523 42.229 42.059 -0.588 0.000 1.140 159 L HN 0.111 nan 8.230 nan 0.000 0.463 160 A N 6.087 128.908 122.820 0.002 0.000 2.475 160 A HA 0.701 5.043 4.320 0.038 0.000 0.301 160 A C -1.145 176.414 177.584 -0.042 0.000 1.059 160 A CA -0.603 51.417 52.037 -0.028 0.000 0.710 160 A CB 1.453 20.471 19.000 0.029 0.000 1.288 160 A HN 0.723 nan 8.150 nan 0.000 0.408 161 L N 2.533 123.720 121.223 -0.060 0.000 2.445 161 L HA 0.304 4.667 4.340 0.038 0.000 0.252 161 L C -2.516 174.339 176.870 -0.024 0.000 1.105 161 L CA -1.803 53.008 54.840 -0.048 0.000 0.943 161 L CB 1.453 43.470 42.059 -0.071 0.000 1.277 161 L HN 0.409 nan 8.230 nan 0.000 0.465 162 P HA -0.049 nan 4.420 nan 0.000 0.259 162 P C 1.021 178.320 177.300 -0.001 0.000 1.163 162 P CA 1.212 64.311 63.100 -0.001 0.000 0.760 162 P CB 0.691 32.391 31.700 -0.000 0.000 0.762 163 G N 1.961 110.765 108.800 0.005 0.000 2.268 163 G HA2 -0.268 3.715 3.960 0.038 0.000 0.240 163 G HA3 -0.268 3.715 3.960 0.038 0.000 0.240 163 G C 0.512 175.415 174.900 0.005 0.000 1.010 163 G CA 0.266 45.370 45.100 0.006 0.000 0.618 163 G HN 0.826 nan 8.290 nan 0.000 0.516 164 S N -0.009 115.691 115.700 -0.000 0.000 2.589 164 S HA 0.543 5.035 4.470 0.038 0.000 0.265 164 S C 1.268 175.874 174.600 0.009 0.000 1.342 164 S CA 0.640 58.839 58.200 -0.001 0.000 1.005 164 S CB 1.732 64.925 63.200 -0.013 0.000 0.909 164 S HN 0.505 nan 8.310 nan 0.000 0.555 165 R N 0.041 120.548 120.500 0.013 0.000 2.156 165 R HA 0.073 4.436 4.340 0.038 0.000 0.207 165 R C 1.176 177.495 176.300 0.030 0.000 1.040 165 R CA 0.851 56.963 56.100 0.022 0.000 1.013 165 R CB -0.214 30.098 30.300 0.020 0.000 0.931 165 R HN 0.793 nan 8.270 nan 0.000 0.465 166 E N -0.319 119.899 120.200 0.030 0.000 2.318 166 E HA 0.099 4.472 4.350 0.038 0.000 0.193 166 E C -0.022 176.620 176.600 0.070 0.000 0.998 166 E CA 0.701 57.132 56.400 0.051 0.000 0.859 166 E CB 0.803 30.534 29.700 0.051 0.000 0.812 166 E HN 0.241 nan 8.360 nan 0.000 0.492 167 A N 1.036 123.871 122.820 0.025 0.000 3.409 167 A HA 0.269 4.612 4.320 0.038 0.000 0.282 167 A C -2.071 175.509 177.584 -0.006 0.000 1.064 167 A CA -0.898 51.141 52.037 0.003 0.000 0.889 167 A CB 0.423 19.337 19.000 -0.145 0.000 1.251 167 A HN -0.071 nan 8.150 nan 0.000 0.538 168 P HA 0.082 nan 4.420 nan 0.000 0.226 168 P C 0.906 178.218 177.300 0.021 0.000 1.153 168 P CA 1.869 64.982 63.100 0.022 0.000 0.777 168 P CB 0.115 31.837 31.700 0.037 0.000 0.794 169 G N 0.733 109.542 108.800 0.016 0.000 2.699 169 G HA2 -0.177 3.806 3.960 0.038 0.000 0.686 169 G HA3 -0.177 3.806 3.960 0.038 0.000 0.686 169 G C -0.107 174.785 174.900 -0.012 0.000 1.301 169 G CA -0.311 44.801 45.100 0.020 0.000 0.816 169 G HN 0.145 nan 8.290 nan 0.000 0.595 170 N N -2.303 116.389 118.700 -0.013 0.000 2.713 170 N HA -0.284 4.479 4.740 0.038 0.000 0.251 170 N C 1.899 177.254 175.510 -0.258 0.000 1.117 170 N CA 2.357 55.336 53.050 -0.119 0.000 0.770 170 N CB -1.645 36.703 38.487 -0.232 0.000 1.137 170 N HN 1.926 nan 8.380 nan 0.000 0.566 171 V N -2.705 117.059 119.914 -0.249 0.000 2.594 171 V HA -0.013 4.130 4.120 0.038 0.000 0.253 171 V C 2.296 178.249 176.094 -0.235 0.000 1.069 171 V CA 2.261 64.456 62.300 -0.174 0.000 1.082 171 V CB -0.860 30.913 31.823 -0.084 0.000 0.680 171 V HN 0.278 nan 8.190 nan 0.000 0.469 172 G N 0.362 108.821 108.800 -0.569 0.000 2.422 172 G HA2 -0.116 3.866 3.960 0.038 0.000 0.218 172 G HA3 -0.116 3.866 3.960 0.038 0.000 0.218 172 G C 1.537 176.393 174.900 -0.073 0.000 1.140 172 G CA 1.090 45.983 45.100 -0.344 0.000 0.775 172 G HN 0.541 nan 8.290 nan 0.000 0.545 173 L N -0.227 120.898 121.223 -0.163 0.000 2.156 173 L HA 0.123 4.486 4.340 0.038 0.000 0.208 173 L C 2.765 179.618 176.870 -0.028 0.000 1.095 173 L CA 0.273 54.979 54.840 -0.223 0.000 0.770 173 L CB -0.251 41.326 42.059 -0.804 0.000 0.914 173 L HN 0.174 nan 8.230 nan 0.000 0.439 174 L N -0.529 120.684 121.223 -0.017 0.000 2.141 174 L HA -0.190 4.173 4.340 0.038 0.000 0.209 174 L C 2.120 179.101 176.870 0.183 0.000 1.094 174 L CA 0.787 55.728 54.840 0.169 0.000 0.763 174 L CB -0.536 41.604 42.059 0.136 0.000 0.908 174 L HN 0.267 nan 8.230 nan 0.000 0.437 175 D N -0.056 120.439 120.400 0.159 0.000 2.097 175 D HA -0.196 4.467 4.640 0.038 0.000 0.195 175 D C 2.272 178.711 176.300 0.231 0.000 0.989 175 D CA 1.167 55.339 54.000 0.287 0.000 0.827 175 D CB -0.162 40.832 40.800 0.322 0.000 0.966 175 D HN 0.398 nan 8.370 nan 0.000 0.456 176 Q N 0.162 120.033 119.800 0.118 0.000 2.084 176 Q HA -0.129 4.234 4.340 0.038 0.000 0.202 176 Q C 2.282 178.267 176.000 -0.024 0.000 0.978 176 Q CA 1.033 56.827 55.803 -0.015 0.000 0.844 176 Q CB -0.066 28.653 28.738 -0.031 0.000 0.898 176 Q HN 0.192 nan 8.270 nan 0.000 0.426 177 R N 0.554 121.154 120.500 0.166 0.000 2.081 177 R HA -0.171 4.191 4.340 0.038 0.000 0.235 177 R C 2.176 178.533 176.300 0.095 0.000 1.131 177 R CA 0.998 57.189 56.100 0.151 0.000 0.960 177 R CB -0.208 30.290 30.300 0.331 0.000 0.856 177 R HN 0.219 nan 8.270 nan 0.000 0.436 178 L N 0.753 122.059 121.223 0.138 0.000 2.083 178 L HA -0.036 4.327 4.340 0.038 0.000 0.209 178 L C 2.245 179.154 176.870 0.066 0.000 1.083 178 L CA 2.096 57.043 54.840 0.178 0.000 0.752 178 L CB -0.676 41.574 42.059 0.319 0.000 0.899 178 L HN 0.261 nan 8.230 nan 0.000 0.433 179 A N -1.069 121.591 122.820 -0.267 0.000 1.972 179 A HA -0.141 4.202 4.320 0.038 0.000 0.219 179 A C 2.088 179.615 177.584 -0.095 0.000 1.169 179 A CA 1.645 53.366 52.037 -0.527 0.000 0.635 179 A CB -0.690 17.730 19.000 -0.966 0.000 0.810 179 A HN 0.410 nan 8.150 nan 0.000 0.446 180 L N -0.640 120.540 121.223 -0.071 0.000 2.093 180 L HA -0.137 4.225 4.340 0.038 0.000 0.208 180 L C 2.580 179.501 176.870 0.084 0.000 1.085 180 L CA 1.947 56.784 54.840 -0.004 0.000 0.755 180 L CB -1.017 40.998 42.059 -0.074 0.000 0.904 180 L HN 0.454 nan 8.230 nan 0.000 0.435 181 Q N -2.209 117.654 119.800 0.104 0.000 2.119 181 Q HA -0.258 4.105 4.340 0.038 0.000 0.201 181 Q C 2.118 178.219 176.000 0.169 0.000 0.972 181 Q CA 1.840 57.717 55.803 0.123 0.000 0.847 181 Q CB -0.326 28.491 28.738 0.131 0.000 0.903 181 Q HN 0.575 nan 8.270 nan 0.000 0.433 182 W N -0.352 120.964 121.300 0.026 0.000 2.363 182 W HA -0.209 4.474 4.660 0.038 0.000 0.296 182 W C 1.669 178.217 176.519 0.049 0.000 1.212 182 W CA 1.214 58.593 57.345 0.058 0.000 1.260 182 W CB -0.061 29.440 29.460 0.068 0.000 1.131 182 W HN -0.109 nan 8.180 nan 0.000 0.530 183 V N 0.849 120.979 119.914 0.361 0.000 2.295 183 V HA -0.337 3.806 4.120 0.038 0.000 0.246 183 V C 2.569 178.678 176.094 0.026 0.000 1.049 183 V CA 2.019 64.442 62.300 0.205 0.000 1.024 183 V CB -1.017 30.937 31.823 0.219 0.000 0.648 183 V HN 0.178 nan 8.190 nan 0.000 0.447 184 Q N 0.137 119.964 119.800 0.044 0.000 2.077 184 Q HA -0.249 4.114 4.340 0.038 0.000 0.206 184 Q C 2.207 178.179 176.000 -0.046 0.000 0.989 184 Q CA 2.008 57.822 55.803 0.019 0.000 0.853 184 Q CB -0.365 28.392 28.738 0.031 0.000 0.907 184 Q HN 0.747 nan 8.270 nan 0.000 0.418 185 E N -0.321 119.820 120.200 -0.099 0.000 2.216 185 E HA -0.039 4.334 4.350 0.038 0.000 0.192 185 E C 1.218 177.660 176.600 -0.263 0.000 0.988 185 E CA 0.602 56.907 56.400 -0.158 0.000 0.834 185 E CB 0.170 29.782 29.700 -0.147 0.000 0.772 185 E HN 0.363 nan 8.360 nan 0.000 0.479 186 N N -0.193 118.247 118.700 -0.434 0.000 2.211 186 N HA 0.033 4.796 4.740 0.038 0.000 0.216 186 N C 1.416 176.801 175.510 -0.208 0.000 1.240 186 N CA 0.015 52.770 53.050 -0.491 0.000 0.895 186 N CB 0.516 38.321 38.487 -1.138 0.000 1.102 186 N HN 0.025 nan 8.380 nan 0.000 0.498 187 I N 2.610 123.100 120.570 -0.134 0.000 2.454 187 I HA -0.128 4.064 4.170 0.038 0.000 0.254 187 I C 2.219 178.438 176.117 0.171 0.000 1.156 187 I CA 0.657 62.007 61.300 0.084 0.000 1.433 187 I CB -0.266 37.773 38.000 0.065 0.000 1.082 187 I HN 0.077 nan 8.210 nan 0.000 0.432 188 A N 0.291 123.148 122.820 0.061 0.000 1.978 188 A HA -0.163 4.180 4.320 0.038 0.000 0.220 188 A C 2.471 180.074 177.584 0.031 0.000 1.170 188 A CA 1.676 53.739 52.037 0.043 0.000 0.636 188 A CB -1.148 17.850 19.000 -0.004 0.000 0.810 188 A HN 0.480 nan 8.150 nan 0.000 0.448 189 A N -1.681 121.131 122.820 -0.014 0.000 2.125 189 A HA 0.065 4.408 4.320 0.038 0.000 0.219 189 A C 1.486 178.899 177.584 -0.283 0.000 1.156 189 A CA 1.237 53.164 52.037 -0.184 0.000 0.671 189 A CB -0.638 18.166 19.000 -0.327 0.000 0.794 189 A HN 0.504 nan 8.150 nan 0.000 0.459 190 F N -1.525 118.373 119.950 -0.086 0.000 2.695 190 F HA 0.394 4.944 4.527 0.038 0.000 0.303 190 F C 1.727 177.536 175.800 0.016 0.000 1.091 190 F CA 0.373 58.337 58.000 -0.060 0.000 1.300 190 F CB 0.287 39.256 39.000 -0.052 0.000 1.071 190 F HN 0.305 nan 8.300 nan 0.000 0.578 191 G N 0.317 109.213 108.800 0.161 0.000 2.141 191 G HA2 -0.146 3.836 3.960 0.038 0.000 0.231 191 G HA3 -0.146 3.836 3.960 0.038 0.000 0.231 191 G C 0.546 175.518 174.900 0.119 0.000 0.984 191 G CA -0.283 44.885 45.100 0.115 0.000 0.660 191 G HN 0.717 nan 8.290 nan 0.000 0.525 192 G N -0.542 108.344 108.800 0.143 0.000 2.425 192 G HA2 0.501 4.484 3.960 0.038 0.000 0.302 192 G HA3 0.501 4.484 3.960 0.038 0.000 0.302 192 G C -0.797 174.148 174.900 0.076 0.000 1.159 192 G CA 0.179 45.347 45.100 0.115 0.000 0.865 192 G HN 0.225 nan 8.290 nan 0.000 0.515 193 D N 1.513 121.947 120.400 0.057 0.000 2.396 193 D HA 0.269 4.932 4.640 0.038 0.000 0.225 193 D C -1.075 175.251 176.300 0.043 0.000 1.121 193 D CA -2.402 51.616 54.000 0.029 0.000 0.853 193 D CB 1.901 42.700 40.800 -0.002 0.000 1.043 193 D HN 0.073 nan 8.370 nan 0.000 0.500 194 P HA -0.087 nan 4.420 nan 0.000 0.230 194 P C 1.151 178.532 177.300 0.135 0.000 1.158 194 P CA 0.630 63.784 63.100 0.089 0.000 0.769 194 P CB 0.196 31.931 31.700 0.057 0.000 0.807 195 M N -1.171 118.438 119.600 0.015 0.000 2.561 195 M HA 0.079 4.582 4.480 0.038 0.000 0.238 195 M C 0.711 176.653 176.300 -0.597 0.000 1.131 195 M CA 0.519 55.733 55.300 -0.144 0.000 1.046 195 M CB 0.131 32.657 32.600 -0.124 0.000 1.532 195 M HN -0.152 nan 8.290 nan 0.000 0.497 196 S N 1.053 116.596 115.700 -0.261 0.000 2.279 196 S HA 0.412 4.905 4.470 0.038 0.000 0.176 196 S C -0.982 173.669 174.600 0.085 0.000 1.554 196 S CA -0.510 57.550 58.200 -0.234 0.000 1.242 196 S CB 0.415 63.522 63.200 -0.154 0.000 1.163 196 S HN 0.004 nan 8.310 nan 0.000 0.449 197 V N 3.851 124.011 119.914 0.411 0.000 2.384 197 V HA 0.538 4.680 4.120 0.038 0.000 0.287 197 V C 0.064 176.348 176.094 0.317 0.000 1.020 197 V CA -0.446 62.050 62.300 0.327 0.000 0.850 197 V CB 1.792 33.797 31.823 0.304 0.000 0.987 197 V HN 0.709 nan 8.190 nan 0.000 0.436 198 T N 6.668 121.350 114.554 0.214 0.000 2.779 198 T HA 0.606 4.978 4.350 0.038 0.000 0.280 198 T C -0.258 174.577 174.700 0.224 0.000 0.987 198 T CA -0.330 61.895 62.100 0.208 0.000 0.966 198 T CB 0.875 69.815 68.868 0.120 0.000 0.933 198 T HN 0.342 nan 8.240 nan 0.000 0.442 199 L N 4.848 126.180 121.223 0.182 0.000 2.312 199 L HA 0.709 5.071 4.340 0.038 0.000 0.281 199 L C -0.464 176.599 176.870 0.321 0.000 1.070 199 L CA -0.920 53.995 54.840 0.126 0.000 0.805 199 L CB 0.497 42.414 42.059 -0.237 0.000 1.174 199 L HN 0.628 nan 8.230 nan 0.000 0.434 200 F N 0.532 120.540 119.950 0.096 0.000 2.601 200 F HA 0.972 5.522 4.527 0.037 0.000 0.309 200 F C -0.302 175.466 175.800 -0.054 0.000 1.089 200 F CA -1.411 56.694 58.000 0.176 0.000 0.940 200 F CB 1.646 40.903 39.000 0.429 0.000 1.273 200 F HN 0.474 nan 8.300 nan 0.000 0.450 201 G N 1.137 109.791 108.800 -0.244 0.000 2.576 201 G HA2 0.493 4.475 3.960 0.038 0.000 0.290 201 G HA3 0.493 4.475 3.960 0.038 0.000 0.290 201 G C -2.542 172.107 174.900 -0.418 0.000 1.442 201 G CA -0.787 43.732 45.100 -0.967 0.000 0.792 201 G HN 0.860 nan 8.290 nan 0.000 0.491 202 E N 0.247 120.168 120.200 -0.465 0.000 2.288 202 E HA 0.654 5.027 4.350 0.038 0.000 0.268 202 E C 0.644 177.160 176.600 -0.140 0.000 0.885 202 E CA 0.221 56.571 56.400 -0.084 0.000 0.767 202 E CB 2.189 31.982 29.700 0.155 0.000 1.220 202 E HN 0.792 nan 8.360 nan 0.000 0.427 203 S N 2.268 117.950 115.700 -0.030 0.000 4.114 203 S HA -0.389 4.104 4.470 0.038 0.000 0.618 203 S C 1.450 176.106 174.600 0.094 0.000 1.937 203 S CA 2.024 60.280 58.200 0.093 0.000 4.228 203 S CB -1.558 61.632 63.200 -0.018 0.000 0.216 203 S HN 0.946 nan 8.310 nan 0.000 0.528 204 A N 0.867 123.616 122.820 -0.118 0.000 2.024 204 A HA 0.094 4.437 4.320 0.038 0.000 0.220 204 A C 2.407 179.694 177.584 -0.495 0.000 1.164 204 A CA 2.524 54.277 52.037 -0.474 0.000 0.643 204 A CB -1.512 16.778 19.000 -1.184 0.000 0.806 204 A HN 1.533 nan 8.150 nan 0.000 0.451 205 G N -0.732 107.836 108.800 -0.386 0.000 2.408 205 G HA2 0.054 4.037 3.960 0.038 0.000 0.217 205 G HA3 0.054 4.037 3.960 0.038 0.000 0.217 205 G C 1.689 176.391 174.900 -0.330 0.000 1.150 205 G CA 1.248 46.076 45.100 -0.453 0.000 0.776 205 G HN 0.761 nan 8.290 nan 0.000 0.542 206 A N 1.206 123.908 122.820 -0.197 0.000 1.898 206 A HA 0.345 4.687 4.320 0.038 0.000 0.216 206 A C 2.810 180.357 177.584 -0.060 0.000 1.181 206 A CA 2.054 54.038 52.037 -0.089 0.000 0.620 206 A CB -0.777 18.231 19.000 0.013 0.000 0.819 206 A HN 0.718 nan 8.150 nan 0.000 0.442 207 A N -0.409 122.395 122.820 -0.026 0.000 1.933 207 A HA -0.085 4.258 4.320 0.038 0.000 0.218 207 A C 2.437 180.018 177.584 -0.006 0.000 1.175 207 A CA 2.119 54.138 52.037 -0.030 0.000 0.628 207 A CB -0.860 18.136 19.000 -0.007 0.000 0.814 207 A HN 0.449 nan 8.150 nan 0.000 0.444 208 S N -0.419 115.272 115.700 -0.015 0.000 2.356 208 S HA -0.142 4.350 4.470 0.038 0.000 0.223 208 S C 1.912 176.482 174.600 -0.050 0.000 1.032 208 S CA 1.437 59.606 58.200 -0.051 0.000 1.005 208 S CB -0.562 62.545 63.200 -0.156 0.000 0.867 208 S HN 0.352 nan 8.310 nan 0.000 0.449 209 V N 1.785 121.662 119.914 -0.061 0.000 2.282 209 V HA -0.205 3.938 4.120 0.038 0.000 0.249 209 V C 2.633 178.713 176.094 -0.024 0.000 1.057 209 V CA 2.036 64.305 62.300 -0.051 0.000 1.032 209 V CB -1.547 30.217 31.823 -0.098 0.000 0.645 209 V HN 0.606 nan 8.190 nan 0.000 0.447 210 G N -1.072 107.707 108.800 -0.035 0.000 2.442 210 G HA2 -0.284 3.698 3.960 0.038 0.000 0.219 210 G HA3 -0.284 3.698 3.960 0.038 0.000 0.219 210 G C 1.615 176.518 174.900 0.003 0.000 1.141 210 G CA 1.085 46.168 45.100 -0.029 0.000 0.763 210 G HN 0.455 nan 8.290 nan 0.000 0.554 211 M N -0.549 119.039 119.600 -0.021 0.000 2.319 211 M HA 0.046 4.548 4.480 0.038 0.000 0.265 211 M C 2.195 178.530 176.300 0.059 0.000 1.068 211 M CA 0.942 56.254 55.300 0.019 0.000 1.118 211 M CB -0.097 32.493 32.600 -0.016 0.000 1.395 211 M HN 0.329 nan 8.290 nan 0.000 0.435 212 H N -0.282 118.870 119.070 0.137 0.000 2.428 212 H HA 0.007 4.586 4.556 0.038 0.000 0.296 212 H C 1.924 177.416 175.328 0.274 0.000 1.062 212 H CA 1.347 57.484 56.048 0.148 0.000 1.350 212 H CB 0.057 29.776 29.762 -0.072 0.000 1.403 212 H HN 0.289 nan 8.280 nan 0.000 0.533 213 I N 0.398 121.187 120.570 0.365 0.000 2.361 213 I HA -0.227 3.966 4.170 0.038 0.000 0.251 213 I C 1.106 177.390 176.117 0.277 0.000 1.133 213 I CA 1.211 62.751 61.300 0.400 0.000 1.413 213 I CB -0.013 38.117 38.000 0.216 0.000 1.073 213 I HN 0.260 nan 8.210 nan 0.000 0.424 214 L N -0.846 120.489 121.223 0.186 0.000 2.611 214 L HA 0.135 4.497 4.340 0.038 0.000 0.229 214 L C 0.779 177.679 176.870 0.051 0.000 1.137 214 L CA 0.026 54.955 54.840 0.149 0.000 0.901 214 L CB -0.011 42.118 42.059 0.116 0.000 1.098 214 L HN 0.001 nan 8.230 nan 0.000 0.456 215 S N -0.213 115.482 115.700 -0.008 0.000 2.669 215 S HA 0.286 4.779 4.470 0.038 0.000 0.315 215 S C 0.753 175.268 174.600 -0.142 0.000 1.106 215 S CA -0.597 57.481 58.200 -0.204 0.000 1.107 215 S CB 1.176 63.968 63.200 -0.679 0.000 0.990 215 S HN 0.175 nan 8.310 nan 0.000 0.471 216 L N 6.562 127.721 121.223 -0.107 0.000 2.030 216 L HA -0.065 4.298 4.340 0.038 0.000 0.222 216 L C -0.967 175.858 176.870 -0.075 0.000 1.082 216 L CA 2.383 57.177 54.840 -0.076 0.000 0.785 216 L CB -0.888 41.128 42.059 -0.073 0.000 0.895 216 L HN 0.518 nan 8.230 nan 0.000 0.439 217 P HA -0.095 nan 4.420 nan 0.000 0.221 217 P C 1.537 178.830 177.300 -0.011 0.000 1.145 217 P CA 1.309 64.371 63.100 -0.065 0.000 0.795 217 P CB 0.056 31.706 31.700 -0.084 0.000 0.775 218 S N -1.036 114.677 115.700 0.021 0.000 2.446 218 S HA 0.012 4.505 4.470 0.038 0.000 0.225 218 S C 1.798 176.520 174.600 0.205 0.000 1.016 218 S CA 0.370 58.687 58.200 0.194 0.000 0.943 218 S CB -0.348 63.100 63.200 0.413 0.000 0.786 218 S HN 0.069 nan 8.310 nan 0.000 0.508 219 R N 2.113 122.640 120.500 0.046 0.000 2.170 219 R HA -0.034 4.329 4.340 0.038 0.000 0.242 219 R C 2.039 178.143 176.300 -0.327 0.000 1.145 219 R CA 1.369 57.339 56.100 -0.217 0.000 0.984 219 R CB -1.184 29.024 30.300 -0.153 0.000 0.869 219 R HN 0.561 nan 8.270 nan 0.000 0.455 220 S N -0.292 115.312 115.700 -0.161 0.000 2.631 220 S HA 0.137 4.629 4.470 0.038 0.000 0.217 220 S C 1.644 176.158 174.600 -0.143 0.000 0.958 220 S CA -0.016 58.089 58.200 -0.159 0.000 0.920 220 S CB -0.072 63.081 63.200 -0.078 0.000 0.776 220 S HN 0.197 nan 8.310 nan 0.000 0.517 221 L N 0.308 121.480 121.223 -0.085 0.000 2.616 221 L HA 0.478 4.840 4.340 0.038 0.000 0.229 221 L C 0.015 176.921 176.870 0.059 0.000 1.110 221 L CA -0.256 54.598 54.840 0.024 0.000 0.884 221 L CB -0.037 42.090 42.059 0.114 0.000 1.115 221 L HN 0.486 nan 8.230 nan 0.000 0.481 222 F N -3.877 115.885 119.950 -0.313 0.000 2.711 222 F HA 0.476 5.025 4.527 0.038 0.000 0.313 222 F C 0.260 175.699 175.800 -0.603 0.000 1.141 222 F CA -1.136 56.642 58.000 -0.371 0.000 0.941 222 F CB 0.849 39.778 39.000 -0.117 0.000 1.349 222 F HN -0.122 nan 8.300 nan 0.000 0.464 223 H N -1.180 117.913 119.070 0.038 0.000 3.017 223 H HA 0.526 5.105 4.556 0.038 0.000 0.255 223 H C -0.121 175.217 175.328 0.017 0.000 0.990 223 H CA -0.167 55.835 56.048 -0.077 0.000 1.205 223 H CB 0.578 30.307 29.762 -0.055 0.000 1.460 223 H HN 0.405 nan 8.280 nan 0.000 0.478 224 R N 0.018 120.693 120.500 0.291 0.000 2.817 224 R HA 0.827 5.190 4.340 0.038 0.000 0.268 224 R C -1.457 175.097 176.300 0.423 0.000 1.027 224 R CA -0.888 55.359 56.100 0.245 0.000 0.928 224 R CB 2.554 32.814 30.300 -0.068 0.000 1.228 224 R HN 0.169 nan 8.270 nan 0.000 0.469 225 A N 0.750 123.832 122.820 0.437 0.000 2.574 225 A HA 0.667 5.010 4.320 0.038 0.000 0.297 225 A C -1.586 176.154 177.584 0.260 0.000 1.062 225 A CA -0.591 51.638 52.037 0.319 0.000 0.686 225 A CB 1.921 21.061 19.000 0.233 0.000 1.285 225 A HN 0.290 nan 8.150 nan 0.000 0.403 226 V N 1.649 121.667 119.914 0.175 0.000 2.531 226 V HA 0.554 4.697 4.120 0.038 0.000 0.301 226 V C -1.214 174.958 176.094 0.129 0.000 1.034 226 V CA -0.329 62.013 62.300 0.070 0.000 0.865 226 V CB 1.329 33.228 31.823 0.127 0.000 0.995 226 V HN 0.683 nan 8.190 nan 0.000 0.424 227 L N 4.987 126.257 121.223 0.078 0.000 2.345 227 L HA 0.531 4.894 4.340 0.038 0.000 0.274 227 L C -0.054 176.899 176.870 0.137 0.000 0.999 227 L CA -0.017 54.865 54.840 0.070 0.000 0.849 227 L CB 1.635 43.693 42.059 -0.002 0.000 1.220 227 L HN 0.628 nan 8.230 nan 0.000 0.422 228 Q N 1.954 121.883 119.800 0.216 0.000 2.340 228 Q HA 0.440 4.803 4.340 0.038 0.000 0.259 228 Q C 0.202 176.312 176.000 0.183 0.000 0.964 228 Q CA -0.524 55.463 55.803 0.307 0.000 0.900 228 Q CB 1.292 30.299 28.738 0.447 0.000 1.228 228 Q HN 0.627 nan 8.270 nan 0.000 0.449 229 S N 1.016 116.816 115.700 0.166 0.000 3.614 229 S HA -0.173 4.320 4.470 0.038 0.000 0.360 229 S C 0.046 174.809 174.600 0.272 0.000 1.023 229 S CA 0.556 58.874 58.200 0.198 0.000 1.114 229 S CB -1.199 62.110 63.200 0.183 0.000 0.907 229 S HN 0.982 nan 8.310 nan 0.000 0.470 230 G N -0.434 108.486 108.800 0.201 0.000 2.616 230 G HA2 0.655 4.637 3.960 0.038 0.000 0.294 230 G HA3 0.655 4.637 3.960 0.038 0.000 0.294 230 G C -0.904 174.048 174.900 0.086 0.000 1.489 230 G CA 0.173 45.442 45.100 0.281 0.000 0.836 230 G HN 0.927 nan 8.290 nan 0.000 0.527 231 T N -1.277 113.268 114.554 -0.015 0.000 2.868 231 T HA 0.745 5.118 4.350 0.038 0.000 0.306 231 T C -2.386 172.161 174.700 -0.255 0.000 1.224 231 T CA -1.310 60.708 62.100 -0.136 0.000 1.012 231 T CB 3.007 71.781 68.868 -0.156 0.000 1.221 231 T HN 0.281 nan 8.240 nan 0.000 0.499 232 P HA 0.008 nan 4.420 nan 0.000 0.221 232 P C 0.263 177.403 177.300 -0.267 0.000 1.155 232 P CA 0.629 63.603 63.100 -0.209 0.000 0.812 232 P CB -0.034 31.595 31.700 -0.117 0.000 0.801 233 N N 0.630 119.188 118.700 -0.237 0.000 2.364 233 N HA 0.318 5.081 4.740 0.038 0.000 0.264 233 N C 0.742 176.045 175.510 -0.346 0.000 1.263 233 N CA 0.472 53.382 53.050 -0.233 0.000 0.959 233 N CB 0.121 38.512 38.487 -0.159 0.000 1.204 233 N HN 0.187 nan 8.380 nan 0.000 0.550 234 G N -1.090 107.524 108.800 -0.310 0.000 2.555 234 G HA2 -0.110 3.873 3.960 0.038 0.000 0.686 234 G HA3 -0.110 3.873 3.960 0.038 0.000 0.686 234 G C -2.054 172.602 174.900 -0.407 0.000 1.275 234 G CA -0.229 44.635 45.100 -0.393 0.000 0.871 234 G HN 0.539 nan 8.290 nan 0.000 0.603 235 P HA 0.035 nan 4.420 nan 0.000 0.226 235 P C 1.403 178.634 177.300 -0.116 0.000 1.153 235 P CA 2.273 65.226 63.100 -0.244 0.000 0.777 235 P CB -0.043 31.461 31.700 -0.327 0.000 0.794 236 W N -1.765 119.438 121.300 -0.162 0.000 2.873 236 W HA 0.554 5.237 4.660 0.038 0.000 0.282 236 W C 1.267 177.850 176.519 0.107 0.000 1.118 236 W CA 0.426 57.755 57.345 -0.026 0.000 1.480 236 W CB -0.782 28.702 29.460 0.039 0.000 0.954 236 W HN -0.162 nan 8.180 nan 0.000 0.591 237 A N 2.035 124.470 122.820 -0.641 0.000 2.119 237 A HA 0.082 4.425 4.320 0.038 0.000 0.217 237 A C 1.178 178.601 177.584 -0.267 0.000 1.153 237 A CA 1.952 53.711 52.037 -0.462 0.000 0.692 237 A CB -0.851 17.625 19.000 -0.873 0.000 0.799 237 A HN 0.281 nan 8.150 nan 0.000 0.458 238 T N -3.515 110.896 114.554 -0.239 0.000 2.864 238 T HA 0.615 4.987 4.350 0.038 0.000 0.299 238 T C -0.702 173.916 174.700 -0.137 0.000 1.166 238 T CA -0.115 61.861 62.100 -0.206 0.000 1.007 238 T CB 1.489 70.246 68.868 -0.186 0.000 1.219 238 T HN 0.960 nan 8.240 nan 0.000 0.506 239 V N -1.147 118.696 119.914 -0.118 0.000 3.078 239 V HA 0.909 5.051 4.120 0.038 0.000 0.311 239 V C 0.252 176.304 176.094 -0.069 0.000 1.138 239 V CA -0.777 61.472 62.300 -0.086 0.000 1.007 239 V CB 1.327 33.099 31.823 -0.083 0.000 1.045 239 V HN 1.408 nan 8.190 nan 0.000 0.432 240 S N 1.844 117.511 115.700 -0.055 0.000 2.600 240 S HA 0.605 5.098 4.470 0.038 0.000 0.265 240 S C 1.423 176.004 174.600 -0.032 0.000 1.325 240 S CA 0.115 58.291 58.200 -0.041 0.000 1.002 240 S CB 1.226 64.404 63.200 -0.036 0.000 0.921 240 S HN 1.993 nan 8.310 nan 0.000 0.554 241 A N 1.844 124.651 122.820 -0.022 0.000 1.908 241 A HA 0.104 4.447 4.320 0.038 0.000 0.218 241 A C 2.226 179.801 177.584 -0.015 0.000 1.181 241 A CA 1.806 53.835 52.037 -0.014 0.000 0.627 241 A CB -1.886 17.109 19.000 -0.009 0.000 0.818 241 A HN 1.164 nan 8.150 nan 0.000 0.445 242 G N -0.468 108.321 108.800 -0.018 0.000 2.446 242 G HA2 -0.263 3.720 3.960 0.038 0.000 0.217 242 G HA3 -0.263 3.720 3.960 0.038 0.000 0.217 242 G C 1.477 176.363 174.900 -0.022 0.000 1.168 242 G CA 1.407 46.496 45.100 -0.018 0.000 0.771 242 G HN 0.582 nan 8.290 nan 0.000 0.551 243 E N 0.920 121.102 120.200 -0.030 0.000 2.150 243 E HA 0.119 4.492 4.350 0.038 0.000 0.193 243 E C 2.593 179.166 176.600 -0.045 0.000 0.985 243 E CA 1.311 57.687 56.400 -0.041 0.000 0.814 243 E CB -0.481 29.189 29.700 -0.051 0.000 0.752 243 E HN 0.286 nan 8.360 nan 0.000 0.466 244 A N 0.855 123.656 122.820 -0.032 0.000 1.898 244 A HA -0.144 4.199 4.320 0.038 0.000 0.216 244 A C 2.288 179.882 177.584 0.016 0.000 1.181 244 A CA 1.615 53.646 52.037 -0.009 0.000 0.620 244 A CB -0.585 18.421 19.000 0.011 0.000 0.819 244 A HN 0.270 nan 8.150 nan 0.000 0.442 245 R N -0.501 120.000 120.500 0.001 0.000 2.073 245 R HA -0.148 4.214 4.340 0.038 0.000 0.234 245 R C 2.466 178.767 176.300 0.001 0.000 1.134 245 R CA 1.626 57.725 56.100 -0.001 0.000 0.952 245 R CB -0.338 29.957 30.300 -0.010 0.000 0.850 245 R HN 0.503 nan 8.270 nan 0.000 0.433 246 R N 0.584 121.080 120.500 -0.007 0.000 2.083 246 R HA -0.154 4.209 4.340 0.038 0.000 0.237 246 R C 2.194 178.494 176.300 0.001 0.000 1.137 246 R CA 1.964 58.059 56.100 -0.008 0.000 0.951 246 R CB -0.143 30.146 30.300 -0.019 0.000 0.851 246 R HN 0.300 nan 8.270 nan 0.000 0.434 247 R N -0.335 120.160 120.500 -0.009 0.000 2.115 247 R HA -0.041 4.322 4.340 0.038 0.000 0.230 247 R C 2.320 178.713 176.300 0.154 0.000 1.111 247 R CA 1.164 57.260 56.100 -0.006 0.000 0.976 247 R CB -0.254 29.924 30.300 -0.203 0.000 0.870 247 R HN 0.250 nan 8.270 nan 0.000 0.445 248 A N 1.014 123.935 122.820 0.169 0.000 1.873 248 A HA -0.173 4.169 4.320 0.038 0.000 0.215 248 A C 2.350 179.952 177.584 0.030 0.000 1.186 248 A CA 1.986 54.102 52.037 0.132 0.000 0.616 248 A CB -1.009 18.005 19.000 0.023 0.000 0.823 248 A HN 0.467 nan 8.150 nan 0.000 0.442 249 T N -1.751 112.809 114.554 0.011 0.000 2.788 249 T HA -0.143 4.230 4.350 0.038 0.000 0.268 249 T C 1.769 176.471 174.700 0.004 0.000 1.044 249 T CA 1.594 63.689 62.100 -0.008 0.000 1.139 249 T CB -0.465 68.397 68.868 -0.011 0.000 0.867 249 T HN 0.242 nan 8.240 nan 0.000 0.454 250 L N 0.519 121.757 121.223 0.024 0.000 2.093 250 L HA 0.249 4.612 4.340 0.038 0.000 0.208 250 L C 2.278 179.169 176.870 0.035 0.000 1.085 250 L CA 1.443 56.299 54.840 0.026 0.000 0.755 250 L CB -1.161 40.918 42.059 0.033 0.000 0.904 250 L HN 0.374 nan 8.230 nan 0.000 0.435 251 L N -0.242 121.027 121.223 0.077 0.000 2.056 251 L HA -0.028 4.335 4.340 0.038 0.000 0.207 251 L C 2.503 179.372 176.870 -0.000 0.000 1.078 251 L CA 1.888 56.776 54.840 0.079 0.000 0.749 251 L CB -0.896 41.246 42.059 0.139 0.000 0.901 251 L HN 0.266 nan 8.230 nan 0.000 0.433 252 A N -0.176 122.633 122.820 -0.019 0.000 1.865 252 A HA -0.293 4.050 4.320 0.038 0.000 0.217 252 A C 2.519 180.084 177.584 -0.032 0.000 1.191 252 A CA 2.055 54.071 52.037 -0.035 0.000 0.623 252 A CB -0.758 18.216 19.000 -0.044 0.000 0.826 252 A HN 0.512 nan 8.150 nan 0.000 0.444 253 R N -0.406 120.076 120.500 -0.030 0.000 2.094 253 R HA -0.129 4.233 4.340 0.038 0.000 0.239 253 R C 2.041 178.299 176.300 -0.070 0.000 1.137 253 R CA 1.877 57.955 56.100 -0.035 0.000 0.943 253 R CB -0.534 29.751 30.300 -0.025 0.000 0.850 253 R HN 0.527 nan 8.270 nan 0.000 0.433 254 L N 0.782 121.935 121.223 -0.116 0.000 2.263 254 L HA -0.136 4.227 4.340 0.038 0.000 0.216 254 L C 1.817 178.487 176.870 -0.333 0.000 1.111 254 L CA 1.000 55.669 54.840 -0.286 0.000 0.773 254 L CB -0.178 41.625 42.059 -0.426 0.000 0.906 254 L HN 0.287 nan 8.230 nan 0.000 0.439 255 V N -4.031 115.803 119.914 -0.133 0.000 3.271 255 V HA 0.534 4.676 4.120 0.038 0.000 0.327 255 V C 1.093 177.197 176.094 0.016 0.000 1.389 255 V CA 0.175 62.474 62.300 -0.002 0.000 1.156 255 V CB -0.174 31.700 31.823 0.086 0.000 1.103 255 V HN 0.411 nan 8.190 nan 0.000 0.453 256 G N -0.337 108.457 108.800 -0.009 0.000 2.137 256 G HA2 -0.228 3.755 3.960 0.038 0.000 0.237 256 G HA3 -0.228 3.755 3.960 0.038 0.000 0.237 256 G C 0.025 174.928 174.900 0.005 0.000 1.002 256 G CA 0.012 45.115 45.100 0.005 0.000 0.702 256 G HN 0.734 nan 8.290 nan 0.000 0.515 257 c N 1.705 120.303 118.600 -0.003 0.000 2.417 257 c HA 0.817 5.410 4.570 0.038 0.000 0.324 257 c C -1.188 172.896 174.090 -0.010 0.000 1.240 257 c CA -1.207 55.120 56.329 -0.003 0.000 1.632 257 c CB 1.928 44.437 42.510 -0.003 0.000 2.241 257 c HN 0.463 nan 8.230 nan 0.000 0.499 266 D N 1.513 121.905 120.400 -0.014 0.000 2.104 266 D HA -0.105 4.558 4.640 0.038 0.000 0.194 266 D C 1.365 177.654 176.300 -0.018 0.000 0.994 266 D CA 1.895 55.882 54.000 -0.022 0.000 0.830 266 D CB -0.019 40.768 40.800 -0.022 0.000 0.959 266 D HN 0.626 nan 8.370 nan 0.000 0.452 267 T N 1.355 115.905 114.554 -0.006 0.000 2.653 267 T HA -0.193 4.180 4.350 0.038 0.000 0.268 267 T C 1.816 176.519 174.700 0.005 0.000 1.035 267 T CA 1.531 63.632 62.100 0.003 0.000 1.154 267 T CB -0.281 68.591 68.868 0.007 0.000 0.862 267 T HN 0.345 nan 8.240 nan 0.000 0.441 268 E N 0.613 120.813 120.200 0.001 0.000 2.051 268 E HA -0.045 4.327 4.350 0.038 0.000 0.192 268 E C 2.259 178.859 176.600 0.000 0.000 0.991 268 E CA 0.796 57.198 56.400 0.003 0.000 0.799 268 E CB -0.312 29.388 29.700 0.001 0.000 0.748 268 E HN 0.370 nan 8.360 nan 0.000 0.449 269 L N 1.054 122.270 121.223 -0.012 0.000 1.989 269 L HA -0.214 4.149 4.340 0.038 0.000 0.211 269 L C 2.294 179.146 176.870 -0.030 0.000 1.071 269 L CA 1.443 56.267 54.840 -0.025 0.000 0.749 269 L CB -0.138 41.896 42.059 -0.041 0.000 0.890 269 L HN 0.119 nan 8.230 nan 0.000 0.431 270 I N -0.031 120.517 120.570 -0.037 0.000 2.226 270 I HA -0.273 3.920 4.170 0.038 0.000 0.245 270 I C 2.776 178.933 176.117 0.067 0.000 1.100 270 I CA 1.062 62.347 61.300 -0.025 0.000 1.374 270 I CB -0.639 37.347 38.000 -0.022 0.000 1.057 270 I HN 0.361 nan 8.210 nan 0.000 0.413 271 A N -0.197 122.652 122.820 0.048 0.000 1.908 271 A HA -0.310 4.032 4.320 0.038 0.000 0.218 271 A C 2.530 180.149 177.584 0.058 0.000 1.181 271 A CA 2.094 54.164 52.037 0.056 0.000 0.627 271 A CB -1.367 17.653 19.000 0.034 0.000 0.818 271 A HN 0.631 nan 8.150 nan 0.000 0.445 272 c N -0.797 117.828 118.600 0.042 0.000 2.457 272 c HA 0.082 4.675 4.570 0.038 0.000 0.278 272 c C 2.592 176.718 174.090 0.060 0.000 1.309 272 c CA 0.901 57.254 56.329 0.039 0.000 1.735 272 c CB -1.576 40.947 42.510 0.022 0.000 1.992 272 c HN 0.586 nan 8.230 nan 0.000 0.493 273 L N 0.395 121.664 121.223 0.077 0.000 2.046 273 L HA -0.105 4.257 4.340 0.038 0.000 0.208 273 L C 2.949 179.946 176.870 0.212 0.000 1.077 273 L CA 1.510 56.430 54.840 0.134 0.000 0.747 273 L CB -0.639 41.478 42.059 0.096 0.000 0.896 273 L HN 0.312 nan 8.230 nan 0.000 0.432 274 R N -0.550 120.083 120.500 0.222 0.000 2.241 274 R HA -0.130 4.233 4.340 0.038 0.000 0.224 274 R C 2.093 178.423 176.300 0.050 0.000 1.101 274 R CA 1.654 57.825 56.100 0.118 0.000 0.995 274 R CB -0.423 29.934 30.300 0.094 0.000 0.870 274 R HN 0.515 nan 8.270 nan 0.000 0.463 275 T N -1.797 112.789 114.554 0.054 0.000 3.100 275 T HA 0.106 4.478 4.350 0.038 0.000 0.253 275 T C 0.855 175.573 174.700 0.030 0.000 1.118 275 T CA -0.154 61.965 62.100 0.032 0.000 1.058 275 T CB 0.205 69.091 68.868 0.030 0.000 0.953 275 T HN -0.118 nan 8.240 nan 0.000 0.515 276 R N 2.487 123.014 120.500 0.045 0.000 2.441 276 R HA 0.422 4.785 4.340 0.038 0.000 0.284 276 R C -2.730 173.586 176.300 0.027 0.000 1.070 276 R CA -2.453 53.673 56.100 0.044 0.000 1.047 276 R CB 0.050 30.388 30.300 0.064 0.000 1.016 276 R HN 0.238 nan 8.270 nan 0.000 0.477 277 P HA 0.005 nan 4.420 nan 0.000 0.269 277 P C 0.306 177.587 177.300 -0.031 0.000 1.209 277 P CA 0.203 63.288 63.100 -0.024 0.000 0.776 277 P CB 0.625 32.318 31.700 -0.011 0.000 0.876 278 A N 2.812 125.539 122.820 -0.155 0.000 1.892 278 A HA -0.289 4.053 4.320 0.038 0.000 0.218 278 A C 2.118 179.666 177.584 -0.061 0.000 1.188 278 A CA 2.027 53.947 52.037 -0.196 0.000 0.631 278 A CB -1.328 17.022 19.000 -1.083 0.000 0.822 278 A HN 0.551 nan 8.150 nan 0.000 0.447 279 Q N -0.115 119.624 119.800 -0.101 0.000 2.291 279 Q HA -0.143 4.219 4.340 0.038 0.000 0.206 279 Q C 1.120 177.217 176.000 0.163 0.000 0.976 279 Q CA 1.793 57.716 55.803 0.201 0.000 0.875 279 Q CB -0.358 28.508 28.738 0.214 0.000 0.927 279 Q HN 0.647 nan 8.270 nan 0.000 0.450 280 D N -0.917 119.546 120.400 0.104 0.000 2.117 280 D HA -0.116 4.546 4.640 0.038 0.000 0.198 280 D C 1.409 177.789 176.300 0.134 0.000 0.982 280 D CA 0.678 54.742 54.000 0.107 0.000 0.828 280 D CB 0.007 40.870 40.800 0.106 0.000 0.967 280 D HN 0.217 nan 8.370 nan 0.000 0.464 281 L N 0.370 121.665 121.223 0.120 0.000 2.017 281 L HA -0.108 4.255 4.340 0.038 0.000 0.208 281 L C 2.509 179.446 176.870 0.111 0.000 1.073 281 L CA 0.962 55.840 54.840 0.062 0.000 0.745 281 L CB -1.020 40.968 42.059 -0.118 0.000 0.894 281 L HN -0.039 nan 8.230 nan 0.000 0.432 282 V N -0.212 119.842 119.914 0.233 0.000 2.392 282 V HA -0.289 3.854 4.120 0.038 0.000 0.249 282 V C 2.144 178.381 176.094 0.239 0.000 1.059 282 V CA 1.631 64.123 62.300 0.319 0.000 1.051 282 V CB -0.610 31.522 31.823 0.516 0.000 0.658 282 V HN 0.415 nan 8.190 nan 0.000 0.455 283 D N -1.025 119.451 120.400 0.127 0.000 2.221 283 D HA -0.138 4.525 4.640 0.038 0.000 0.204 283 D C 1.827 177.968 176.300 -0.265 0.000 0.982 283 D CA 1.259 55.231 54.000 -0.046 0.000 0.857 283 D CB -0.153 40.534 40.800 -0.188 0.000 0.934 283 D HN 0.531 nan 8.370 nan 0.000 0.475 284 H N -0.518 118.561 119.070 0.016 0.000 2.755 284 H HA 0.143 4.722 4.556 0.038 0.000 0.273 284 H C 1.575 176.861 175.328 -0.069 0.000 1.055 284 H CA -0.085 55.905 56.048 -0.097 0.000 1.191 284 H CB 0.650 30.453 29.762 0.069 0.000 1.536 284 H HN 0.287 nan 8.280 nan 0.000 0.529 285 E N 0.742 120.994 120.200 0.088 0.000 2.065 285 E HA -0.221 4.151 4.350 0.038 0.000 0.201 285 E C 0.888 177.452 176.600 -0.059 0.000 1.016 285 E CA 1.523 57.968 56.400 0.075 0.000 0.818 285 E CB 0.003 29.664 29.700 -0.064 0.000 0.749 285 E HN 0.420 nan 8.360 nan 0.000 0.453 286 W N -0.508 120.727 121.300 -0.108 0.000 2.937 286 W HA 0.014 4.697 4.660 0.038 0.000 0.245 286 W C 1.280 177.831 176.519 0.053 0.000 1.306 286 W CA 0.455 57.741 57.345 -0.099 0.000 1.470 286 W CB 0.018 29.371 29.460 -0.178 0.000 1.132 286 W HN 0.257 nan 8.180 nan 0.000 0.675 287 H N -0.571 118.653 119.070 0.257 0.000 2.524 287 H HA 0.060 4.638 4.556 0.038 0.000 0.280 287 H C 1.636 177.030 175.328 0.109 0.000 1.018 287 H CA 0.360 56.519 56.048 0.185 0.000 1.165 287 H CB 0.194 30.086 29.762 0.216 0.000 1.411 287 H HN 0.126 nan 8.280 nan 0.000 0.569 288 V N -2.159 117.849 119.914 0.157 0.000 3.578 288 V HA 0.191 4.334 4.120 0.038 0.000 0.290 288 V C 0.550 176.631 176.094 -0.021 0.000 1.376 288 V CA -0.239 62.090 62.300 0.049 0.000 1.083 288 V CB -0.189 31.630 31.823 -0.006 0.000 0.911 288 V HN 0.135 nan 8.190 nan 0.000 0.433 289 L N 2.836 124.061 121.223 0.005 0.000 2.490 289 L HA 0.214 4.576 4.340 0.038 0.000 0.274 289 L C -0.218 176.654 176.870 0.003 0.000 1.201 289 L CA -0.888 53.944 54.840 -0.015 0.000 0.869 289 L CB 0.705 42.784 42.059 0.033 0.000 1.123 289 L HN 0.149 nan 8.230 nan 0.000 0.484 290 P HA -0.101 nan 4.420 nan 0.000 0.223 290 P C -0.155 177.147 177.300 0.003 0.000 1.151 290 P CA 1.123 64.219 63.100 -0.008 0.000 0.787 290 P CB 0.516 32.204 31.700 -0.020 0.000 0.788 291 Q N -1.451 118.354 119.800 0.008 0.000 2.553 291 Q HA 0.347 4.710 4.340 0.038 0.000 0.293 291 Q C -0.777 175.237 176.000 0.023 0.000 1.038 291 Q CA -0.745 55.066 55.803 0.013 0.000 0.777 291 Q CB 1.297 30.040 28.738 0.007 0.000 1.487 291 Q HN -0.076 nan 8.270 nan 0.000 0.426 292 E N 0.903 121.116 120.200 0.022 0.000 2.324 292 E HA 0.416 4.789 4.350 0.038 0.000 0.271 292 E C -0.998 175.617 176.600 0.023 0.000 1.028 292 E CA 0.102 56.519 56.400 0.028 0.000 0.890 292 E CB 0.401 30.114 29.700 0.023 0.000 1.004 292 E HN 0.605 nan 8.360 nan 0.000 0.431 293 S N 3.613 119.330 115.700 0.029 0.000 2.661 293 S HA 0.613 5.106 4.470 0.038 0.000 0.268 293 S C -0.584 174.030 174.600 0.023 0.000 1.162 293 S CA -1.009 57.202 58.200 0.019 0.000 0.817 293 S CB 0.557 63.760 63.200 0.004 0.000 1.141 293 S HN 0.550 nan 8.310 nan 0.000 0.477 294 I N -3.374 117.204 120.570 0.014 0.000 3.042 294 I HA 0.799 4.992 4.170 0.038 0.000 0.310 294 I C -0.274 175.814 176.117 -0.048 0.000 1.117 294 I CA -1.214 60.103 61.300 0.029 0.000 1.003 294 I CB 1.314 39.377 38.000 0.105 0.000 1.228 294 I HN 0.779 nan 8.210 nan 0.000 0.443 295 F N 1.214 120.961 119.950 -0.339 0.000 3.090 295 F HA -0.213 4.336 4.527 0.037 0.000 0.282 295 F C -0.029 175.177 175.800 -0.990 0.000 0.923 295 F CA 0.830 58.349 58.000 -0.802 0.000 0.977 295 F CB -0.826 37.627 39.000 -0.912 0.000 0.954 295 F HN 0.703 nan 8.300 nan 0.000 0.695 296 R N 0.329 120.321 120.500 -0.846 0.000 2.621 296 R HA 0.704 5.067 4.340 0.038 0.000 0.284 296 R C -1.464 174.364 176.300 -0.787 0.000 0.998 296 R CA -0.394 55.326 56.100 -0.634 0.000 0.895 296 R CB 1.047 31.225 30.300 -0.203 0.000 1.195 296 R HN -0.033 nan 8.270 nan 0.000 0.450 297 F N 0.939 120.945 119.950 0.093 0.000 2.540 297 F HA 0.374 4.924 4.527 0.038 0.000 0.317 297 F C 1.253 176.939 175.800 -0.190 0.000 1.104 297 F CA -0.861 57.107 58.000 -0.053 0.000 0.913 297 F CB 2.279 41.367 39.000 0.146 0.000 1.170 297 F HN 0.471 nan 8.300 nan 0.000 0.450 298 S N 1.041 116.584 115.700 -0.261 0.000 2.353 298 S HA -0.099 4.394 4.470 0.038 0.000 0.222 298 S C 0.066 174.169 174.600 -0.828 0.000 1.035 298 S CA 1.402 59.263 58.200 -0.565 0.000 1.025 298 S CB -0.254 62.527 63.200 -0.698 0.000 0.902 298 S HN 0.358 nan 8.310 nan 0.000 0.440 299 F N 1.183 121.142 119.950 0.016 0.000 2.434 299 F HA 0.556 5.106 4.527 0.038 0.000 0.355 299 F C 0.027 175.844 175.800 0.029 0.000 1.115 299 F CA -0.975 57.066 58.000 0.067 0.000 1.010 299 F CB 1.327 40.400 39.000 0.122 0.000 1.234 299 F HN -0.079 nan 8.300 nan 0.000 0.439 300 V N 0.834 120.704 119.914 -0.075 0.000 3.156 300 V HA 0.771 4.914 4.120 0.038 0.000 0.311 300 V C -2.922 172.791 176.094 -0.635 0.000 1.208 300 V CA -3.333 58.596 62.300 -0.617 0.000 1.063 300 V CB 2.014 33.638 31.823 -0.332 0.000 1.098 300 V HN 0.271 nan 8.190 nan 0.000 0.452 301 P HA 0.178 nan 4.420 nan 0.000 0.265 301 P C -0.812 176.344 177.300 -0.240 0.000 1.187 301 P CA 0.450 63.251 63.100 -0.499 0.000 0.766 301 P CB 0.615 31.933 31.700 -0.637 0.000 0.820 302 V N 4.871 124.725 119.914 -0.101 0.000 2.513 302 V HA 0.239 4.382 4.120 0.038 0.000 0.299 302 V C -0.394 175.677 176.094 -0.038 0.000 1.035 302 V CA -0.892 61.373 62.300 -0.058 0.000 0.889 302 V CB 2.055 33.873 31.823 -0.008 0.000 0.988 302 V HN 0.130 nan 8.190 nan 0.000 0.440 303 V N 7.502 127.394 119.914 -0.037 0.000 2.377 303 V HA 0.167 4.309 4.120 0.038 0.000 0.254 303 V C 0.856 176.952 176.094 0.003 0.000 1.060 303 V CA 0.395 62.686 62.300 -0.014 0.000 1.068 303 V CB 0.211 32.019 31.823 -0.026 0.000 1.113 303 V HN 1.058 nan 8.190 nan 0.000 0.484 304 D N 2.852 123.268 120.400 0.027 0.000 2.367 304 D HA 0.125 4.787 4.640 0.038 0.000 0.207 304 D C 1.522 177.843 176.300 0.034 0.000 1.034 304 D CA 0.699 54.718 54.000 0.033 0.000 0.861 304 D CB 0.446 41.278 40.800 0.053 0.000 0.943 304 D HN 0.701 nan 8.370 nan 0.000 0.515 305 G N 0.707 109.527 108.800 0.035 0.000 2.162 305 G HA2 -0.319 3.663 3.960 0.038 0.000 0.260 305 G HA3 -0.319 3.663 3.960 0.038 0.000 0.260 305 G C 0.412 175.332 174.900 0.033 0.000 0.976 305 G CA 0.747 45.862 45.100 0.025 0.000 0.655 305 G HN 0.547 nan 8.290 nan 0.000 0.533 306 D N -1.480 118.956 120.400 0.060 0.000 3.074 306 D HA 0.232 4.895 4.640 0.038 0.000 0.227 306 D C 1.759 178.111 176.300 0.088 0.000 1.553 306 D CA 0.422 54.462 54.000 0.066 0.000 1.347 306 D CB -0.599 40.250 40.800 0.082 0.000 1.021 306 D HN 0.097 nan 8.370 nan 0.000 0.260 307 F N 1.214 121.165 119.950 0.003 0.000 2.095 307 F HA 0.147 4.696 4.527 0.038 0.000 0.298 307 F C 0.646 176.440 175.800 -0.010 0.000 1.104 307 F CA 1.221 59.221 58.000 0.000 0.000 1.232 307 F CB 0.149 39.146 39.000 -0.005 0.000 0.987 307 F HN -0.017 nan 8.300 nan 0.000 0.475 308 L N 0.982 122.354 121.223 0.248 0.000 2.283 308 L HA 0.185 4.548 4.340 0.038 0.000 0.281 308 L C 1.386 178.292 176.870 0.059 0.000 1.033 308 L CA -0.227 54.693 54.840 0.133 0.000 0.848 308 L CB 1.241 43.371 42.059 0.119 0.000 1.226 308 L HN 0.095 nan 8.230 nan 0.000 0.429 309 S N 0.360 116.074 115.700 0.024 0.000 2.469 309 S HA -0.042 4.450 4.470 0.038 0.000 0.238 309 S C 0.494 175.098 174.600 0.007 0.000 0.998 309 S CA 0.577 58.783 58.200 0.009 0.000 0.957 309 S CB 0.118 63.313 63.200 -0.008 0.000 0.764 309 S HN 0.708 nan 8.310 nan 0.000 0.514 310 D N -0.044 120.361 120.400 0.009 0.000 2.768 310 D HA 0.277 4.940 4.640 0.038 0.000 0.327 310 D C -0.835 175.463 176.300 -0.003 0.000 1.302 310 D CA 0.038 54.038 54.000 0.000 0.000 0.897 310 D CB 1.376 42.175 40.800 -0.003 0.000 1.420 310 D HN 0.226 nan 8.370 nan 0.000 0.494 311 T N -1.019 113.526 114.554 -0.014 0.000 2.903 311 T HA 0.236 4.609 4.350 0.038 0.000 0.314 311 T C -1.837 172.849 174.700 -0.024 0.000 1.078 311 T CA -0.662 61.421 62.100 -0.028 0.000 1.114 311 T CB 1.010 69.856 68.868 -0.037 0.000 0.987 311 T HN 0.093 nan 8.240 nan 0.000 0.548 312 P HA -0.075 nan 4.420 nan 0.000 0.216 312 P C 1.538 178.822 177.300 -0.026 0.000 1.150 312 P CA 0.887 63.965 63.100 -0.037 0.000 0.837 312 P CB 0.085 31.733 31.700 -0.087 0.000 0.786 313 E N 0.144 120.319 120.200 -0.043 0.000 2.038 313 E HA -0.208 4.164 4.350 0.038 0.000 0.195 313 E C 1.968 178.566 176.600 -0.003 0.000 1.000 313 E CA 1.893 58.274 56.400 -0.031 0.000 0.803 313 E CB -1.143 28.531 29.700 -0.042 0.000 0.750 313 E HN 0.071 nan 8.360 nan 0.000 0.448 314 A N 0.260 123.078 122.820 -0.004 0.000 1.898 314 A HA -0.105 4.237 4.320 0.038 0.000 0.216 314 A C 2.348 179.946 177.584 0.024 0.000 1.181 314 A CA 1.432 53.473 52.037 0.006 0.000 0.620 314 A CB -0.711 18.287 19.000 -0.003 0.000 0.819 314 A HN 0.335 nan 8.150 nan 0.000 0.442 315 L N -0.022 121.222 121.223 0.036 0.000 2.093 315 L HA -0.147 4.216 4.340 0.038 0.000 0.208 315 L C 2.527 179.491 176.870 0.157 0.000 1.085 315 L CA 1.562 56.444 54.840 0.070 0.000 0.755 315 L CB -0.659 41.444 42.059 0.075 0.000 0.904 315 L HN 0.677 nan 8.230 nan 0.000 0.435 316 I N -3.398 117.265 120.570 0.155 0.000 2.928 316 I HA -0.071 4.122 4.170 0.038 0.000 0.266 316 I C 1.856 178.101 176.117 0.213 0.000 1.234 316 I CA 0.965 62.413 61.300 0.247 0.000 1.483 316 I CB -0.352 37.697 38.000 0.082 0.000 1.097 316 I HN 0.168 nan 8.210 nan 0.000 0.455 317 N N 1.531 120.295 118.700 0.108 0.000 2.300 317 N HA -0.079 4.684 4.740 0.038 0.000 0.179 317 N C 1.871 177.411 175.510 0.051 0.000 1.016 317 N CA 1.998 55.092 53.050 0.073 0.000 0.876 317 N CB -0.132 38.378 38.487 0.037 0.000 0.979 317 N HN 0.639 nan 8.380 nan 0.000 0.432 318 T N -3.197 111.373 114.554 0.026 0.000 3.054 318 T HA 0.295 4.668 4.350 0.038 0.000 0.255 318 T C 0.933 175.564 174.700 -0.115 0.000 1.035 318 T CA -0.436 61.646 62.100 -0.030 0.000 0.941 318 T CB 0.114 68.962 68.868 -0.032 0.000 1.026 318 T HN 0.016 nan 8.240 nan 0.000 0.533 319 G N 0.913 109.609 108.800 -0.172 0.000 2.539 319 G HA2 0.427 4.410 3.960 0.038 0.000 0.258 319 G HA3 0.427 4.410 3.960 0.038 0.000 0.258 319 G C -1.141 173.264 174.900 -0.824 0.000 1.202 319 G CA -0.458 44.288 45.100 -0.589 0.000 0.851 319 G HN 0.336 nan 8.290 nan 0.000 0.556 320 D N 0.019 119.924 120.400 -0.824 0.000 2.392 320 D HA 0.384 5.047 4.640 0.038 0.000 0.228 320 D C -0.503 175.411 176.300 -0.644 0.000 1.074 320 D CA -0.705 52.975 54.000 -0.534 0.000 0.838 320 D CB 0.620 41.258 40.800 -0.270 0.000 1.067 320 D HN 0.088 nan 8.370 nan 0.000 0.511 321 F N 2.193 122.143 119.950 -0.000 0.000 2.855 321 F HA 0.246 4.795 4.527 0.038 0.000 0.317 321 F C 1.957 177.759 175.800 0.003 0.000 1.169 321 F CA -0.410 57.592 58.000 0.003 0.000 1.299 321 F CB 0.130 39.140 39.000 0.017 0.000 0.962 321 F HN 0.375 nan 8.300 nan 0.000 0.506 322 Q N 0.229 120.080 119.800 0.084 0.000 2.045 322 Q HA -0.181 4.182 4.340 0.038 0.000 0.206 322 Q C 0.411 176.446 176.000 0.057 0.000 0.991 322 Q CA 1.488 57.326 55.803 0.057 0.000 0.851 322 Q CB -0.026 28.720 28.738 0.012 0.000 0.911 322 Q HN 0.314 nan 8.270 nan 0.000 0.418 323 D N 0.285 120.712 120.400 0.044 0.000 3.071 323 D HA 0.201 4.863 4.640 0.038 0.000 0.259 323 D C -0.965 175.361 176.300 0.043 0.000 1.331 323 D CA 0.052 54.071 54.000 0.032 0.000 0.861 323 D CB 0.155 40.959 40.800 0.006 0.000 1.059 323 D HN -0.004 nan 8.370 nan 0.000 0.486 324 L N 1.013 122.284 121.223 0.081 0.000 2.408 324 L HA 0.342 4.704 4.340 0.038 0.000 0.268 324 L C -1.281 175.655 176.870 0.110 0.000 0.986 324 L CA -0.530 54.368 54.840 0.095 0.000 0.820 324 L CB 2.257 44.402 42.059 0.143 0.000 1.303 324 L HN -0.230 nan 8.230 nan 0.000 0.411 325 Q N 3.054 122.929 119.800 0.126 0.000 2.312 325 Q HA 0.807 5.169 4.340 0.038 0.000 0.263 325 Q C -1.371 174.854 176.000 0.375 0.000 0.995 325 Q CA -0.470 55.458 55.803 0.208 0.000 0.853 325 Q CB 2.607 31.421 28.738 0.126 0.000 1.300 325 Q HN 0.482 nan 8.270 nan 0.000 0.448 326 V N 2.443 122.572 119.914 0.358 0.000 2.760 326 V HA 0.505 4.647 4.120 0.038 0.000 0.309 326 V C -1.480 174.605 176.094 -0.014 0.000 1.077 326 V CA -0.891 61.550 62.300 0.234 0.000 0.910 326 V CB 2.072 33.927 31.823 0.054 0.000 1.008 326 V HN 0.620 nan 8.190 nan 0.000 0.424 327 L N 6.744 127.738 121.223 -0.381 0.000 2.313 327 L HA 0.914 5.277 4.340 0.038 0.000 0.283 327 L C -0.532 176.197 176.870 -0.235 0.000 1.013 327 L CA -0.156 54.338 54.840 -0.577 0.000 0.816 327 L CB 1.665 42.890 42.059 -1.389 0.000 1.236 327 L HN 0.612 nan 8.230 nan 0.000 0.419 328 V N 1.908 121.745 119.914 -0.129 0.000 3.007 328 V HA 1.125 5.268 4.120 0.038 0.000 0.311 328 V C -0.253 175.596 176.094 -0.408 0.000 1.120 328 V CA 0.169 62.377 62.300 -0.153 0.000 0.980 328 V CB 1.231 32.941 31.823 -0.187 0.000 1.033 328 V HN 1.093 nan 8.190 nan 0.000 0.429 329 G N 0.681 109.120 108.800 -0.602 0.000 2.495 329 G HA2 0.800 4.783 3.960 0.038 0.000 0.294 329 G HA3 0.800 4.783 3.960 0.038 0.000 0.294 329 G C -1.202 173.405 174.900 -0.489 0.000 1.397 329 G CA 0.044 44.365 45.100 -1.299 0.000 0.790 329 G HN 2.051 nan 8.290 nan 0.000 0.486 330 V N -2.476 117.294 119.914 -0.240 0.000 3.160 330 V HA 0.929 5.072 4.120 0.038 0.000 0.310 330 V C 0.258 176.556 176.094 0.341 0.000 1.181 330 V CA -0.510 61.855 62.300 0.109 0.000 1.047 330 V CB 1.126 32.986 31.823 0.061 0.000 1.068 330 V HN 1.759 nan 8.190 nan 0.000 0.441 331 V N -1.043 119.079 119.914 0.347 0.000 3.096 331 V HA 0.580 4.723 4.120 0.038 0.000 0.319 331 V C 1.347 177.644 176.094 0.338 0.000 1.082 331 V CA -0.127 62.431 62.300 0.430 0.000 1.022 331 V CB 1.305 33.367 31.823 0.398 0.000 1.103 331 V HN 1.056 nan 8.190 nan 0.000 0.455 332 K N -0.189 120.411 120.400 0.332 0.000 2.209 332 K HA -0.067 4.276 4.320 0.038 0.000 0.204 332 K C 0.234 176.970 176.600 0.227 0.000 1.048 332 K CA 1.816 58.252 56.287 0.249 0.000 0.940 332 K CB 0.083 32.709 32.500 0.209 0.000 0.729 332 K HN 0.906 nan 8.250 nan 0.000 0.451 333 D N 0.908 121.453 120.400 0.242 0.000 2.613 333 D HA 0.024 4.687 4.640 0.038 0.000 0.312 333 D C 0.038 176.490 176.300 0.254 0.000 1.202 333 D CA -0.103 54.033 54.000 0.227 0.000 0.825 333 D CB 1.264 42.182 40.800 0.197 0.000 1.113 333 D HN 0.109 nan 8.370 nan 0.000 0.502 334 E N 0.587 120.945 120.200 0.265 0.000 2.130 334 E HA -0.151 4.222 4.350 0.038 0.000 0.196 334 E C 1.902 178.708 176.600 0.344 0.000 0.998 334 E CA 0.964 57.553 56.400 0.314 0.000 0.806 334 E CB 0.125 29.967 29.700 0.237 0.000 0.738 334 E HN 0.448 nan 8.360 nan 0.000 0.459 335 G N 0.703 109.671 108.800 0.280 0.000 2.838 335 G HA2 -0.110 3.873 3.960 0.038 0.000 0.210 335 G HA3 -0.110 3.873 3.960 0.038 0.000 0.210 335 G C 1.654 176.766 174.900 0.352 0.000 1.153 335 G CA 0.692 45.992 45.100 0.333 0.000 0.778 335 G HN 0.343 nan 8.290 nan 0.000 0.539 336 S N 0.451 116.315 115.700 0.273 0.000 2.359 336 S HA -0.318 4.175 4.470 0.038 0.000 0.223 336 S C 2.085 176.746 174.600 0.101 0.000 1.039 336 S CA 1.489 59.820 58.200 0.219 0.000 1.042 336 S CB -0.910 62.341 63.200 0.084 0.000 0.915 336 S HN 0.407 nan 8.310 nan 0.000 0.439 337 Y N 2.145 122.332 120.300 -0.189 0.000 2.062 337 Y HA -0.262 4.310 4.550 0.037 0.000 0.276 337 Y C 1.960 177.673 175.900 -0.312 0.000 1.189 337 Y CA 2.145 59.959 58.100 -0.475 0.000 1.130 337 Y CB -0.785 37.255 38.460 -0.701 0.000 0.959 337 Y HN 0.289 nan 8.280 nan 0.000 0.499 338 F N -0.519 119.520 119.950 0.148 0.000 2.333 338 F HA -0.192 4.357 4.527 0.037 0.000 0.300 338 F C 2.077 177.934 175.800 0.094 0.000 1.083 338 F CA 0.935 58.986 58.000 0.085 0.000 1.395 338 F CB -0.683 38.325 39.000 0.012 0.000 1.056 338 F HN 0.057 nan 8.300 nan 0.000 0.529 339 L N -0.033 121.299 121.223 0.180 0.000 2.083 339 L HA -0.155 4.208 4.340 0.038 0.000 0.209 339 L C 2.443 179.393 176.870 0.132 0.000 1.083 339 L CA 1.120 55.949 54.840 -0.019 0.000 0.752 339 L CB -0.920 40.902 42.059 -0.396 0.000 0.899 339 L HN 0.203 nan 8.230 nan 0.000 0.433 340 V N -4.523 115.539 119.914 0.246 0.000 3.305 340 V HA -0.173 3.970 4.120 0.038 0.000 0.269 340 V C 1.231 177.352 176.094 0.044 0.000 1.157 340 V CA 0.875 63.317 62.300 0.237 0.000 1.157 340 V CB -1.136 30.853 31.823 0.276 0.000 0.772 340 V HN 0.306 nan 8.190 nan 0.000 0.498 341 Y N 1.740 122.058 120.300 0.030 0.000 2.645 341 Y HA 0.658 5.231 4.550 0.037 0.000 0.307 341 Y C 1.644 177.534 175.900 -0.017 0.000 1.151 341 Y CA 0.182 58.271 58.100 -0.018 0.000 1.291 341 Y CB 0.502 38.938 38.460 -0.041 0.000 1.135 341 Y HN 0.418 nan 8.280 nan 0.000 0.523 342 G N -1.387 107.478 108.800 0.108 0.000 3.658 342 G HA2 -0.092 3.891 3.960 0.038 0.000 0.220 342 G HA3 -0.092 3.891 3.960 0.038 0.000 0.220 342 G C -0.792 174.157 174.900 0.082 0.000 0.917 342 G CA -0.476 44.669 45.100 0.075 0.000 0.865 342 G HN -0.029 nan 8.290 nan 0.000 0.652 343 V N 2.665 122.644 119.914 0.109 0.000 2.364 343 V HA 0.416 4.559 4.120 0.038 0.000 0.272 343 V C -1.964 174.284 176.094 0.256 0.000 1.036 343 V CA -1.677 60.705 62.300 0.136 0.000 0.880 343 V CB 1.311 33.144 31.823 0.017 0.000 0.991 343 V HN 0.053 nan 8.190 nan 0.000 0.460 344 P HA 0.228 nan 4.420 nan 0.000 0.261 344 P C 1.010 178.425 177.300 0.192 0.000 1.183 344 P CA 1.367 64.559 63.100 0.153 0.000 0.761 344 P CB 0.587 32.345 31.700 0.096 0.000 0.785 345 G N 1.665 110.527 108.800 0.103 0.000 2.238 345 G HA2 -0.204 3.778 3.960 0.038 0.000 0.217 345 G HA3 -0.204 3.778 3.960 0.038 0.000 0.217 345 G C -0.170 174.597 174.900 -0.222 0.000 0.996 345 G CA -0.628 44.430 45.100 -0.070 0.000 0.632 345 G HN 0.391 nan 8.290 nan 0.000 0.503 346 F N 1.650 121.612 119.950 0.021 0.000 2.422 346 F HA 0.796 5.345 4.527 0.037 0.000 0.333 346 F C 0.628 176.512 175.800 0.140 0.000 1.095 346 F CA -0.111 57.922 58.000 0.055 0.000 1.038 346 F CB 2.223 41.299 39.000 0.127 0.000 1.156 346 F HN 0.224 nan 8.300 nan 0.000 0.483 347 S N 1.599 117.516 115.700 0.361 0.000 2.537 347 S HA 0.288 4.781 4.470 0.038 0.000 0.271 347 S C 0.119 174.989 174.600 0.451 0.000 1.148 347 S CA -0.864 57.541 58.200 0.342 0.000 0.868 347 S CB 1.385 64.694 63.200 0.181 0.000 1.115 347 S HN 0.759 nan 8.310 nan 0.000 0.461 348 K N 1.278 121.855 120.400 0.294 0.000 2.432 348 K HA 0.138 4.481 4.320 0.038 0.000 0.196 348 K C 0.129 176.755 176.600 0.043 0.000 1.038 348 K CA 1.015 57.392 56.287 0.151 0.000 0.986 348 K CB -0.096 32.271 32.500 -0.221 0.000 0.782 348 K HN 0.467 nan 8.250 nan 0.000 0.485 349 D N 0.954 121.371 120.400 0.027 0.000 2.350 349 D HA 0.000 4.663 4.640 0.038 0.000 0.213 349 D C -0.219 176.109 176.300 0.047 0.000 1.031 349 D CA 0.347 54.337 54.000 -0.017 0.000 0.861 349 D CB 0.093 40.859 40.800 -0.057 0.000 0.926 349 D HN 0.499 nan 8.370 nan 0.000 0.520 350 N N -0.955 117.812 118.700 0.111 0.000 3.102 350 N HA 0.101 4.863 4.740 0.038 0.000 0.299 350 N C 0.539 176.101 175.510 0.087 0.000 1.482 350 N CA -0.539 52.550 53.050 0.063 0.000 0.785 350 N CB 0.849 39.331 38.487 -0.009 0.000 1.680 350 N HN -0.441 nan 8.380 nan 0.000 0.594 351 E N -0.349 119.827 120.200 -0.040 0.000 2.338 351 E HA -0.038 4.334 4.350 0.038 0.000 0.197 351 E C -0.328 175.924 176.600 -0.579 0.000 1.007 351 E CA 0.755 57.053 56.400 -0.170 0.000 0.849 351 E CB -0.627 28.995 29.700 -0.130 0.000 0.774 351 E HN 0.605 nan 8.360 nan 0.000 0.506 352 S N -0.236 115.155 115.700 -0.517 0.000 3.641 352 S HA -0.195 4.298 4.470 0.038 0.000 0.346 352 S C 0.290 174.418 174.600 -0.786 0.000 1.074 352 S CA 0.158 57.887 58.200 -0.785 0.000 1.026 352 S CB -1.950 60.485 63.200 -1.275 0.000 0.908 352 S HN 0.261 nan 8.310 nan 0.000 0.479 353 L N 1.696 122.632 121.223 -0.478 0.000 2.418 353 L HA 0.448 4.810 4.340 0.038 0.000 0.274 353 L C 0.771 177.434 176.870 -0.345 0.000 1.135 353 L CA -0.087 54.538 54.840 -0.357 0.000 0.870 353 L CB 0.187 42.113 42.059 -0.222 0.000 1.154 353 L HN 0.435 nan 8.230 nan 0.000 0.462 354 I N 0.042 120.420 120.570 -0.321 0.000 2.982 354 I HA 0.663 4.856 4.170 0.038 0.000 0.312 354 I C 0.419 176.476 176.117 -0.100 0.000 1.041 354 I CA -0.678 60.487 61.300 -0.226 0.000 1.053 354 I CB 1.952 39.823 38.000 -0.214 0.000 1.248 354 I HN 0.558 nan 8.210 nan 0.000 0.471 355 S N 1.800 117.475 115.700 -0.042 0.000 2.672 355 S HA 0.406 4.898 4.470 0.038 0.000 0.276 355 S C 0.861 175.497 174.600 0.059 0.000 1.207 355 S CA -0.598 57.600 58.200 -0.004 0.000 1.002 355 S CB 1.704 64.906 63.200 0.005 0.000 0.998 355 S HN 0.858 nan 8.310 nan 0.000 0.542 356 R N 0.386 120.922 120.500 0.059 0.000 2.120 356 R HA -0.043 4.319 4.340 0.038 0.000 0.234 356 R C 2.269 178.677 176.300 0.179 0.000 1.123 356 R CA 1.404 57.581 56.100 0.128 0.000 0.975 356 R CB -0.978 29.370 30.300 0.081 0.000 0.866 356 R HN 0.843 nan 8.270 nan 0.000 0.446 357 A N 0.536 123.422 122.820 0.110 0.000 1.930 357 A HA -0.183 4.160 4.320 0.038 0.000 0.217 357 A C 1.976 179.623 177.584 0.104 0.000 1.175 357 A CA 1.259 53.351 52.037 0.092 0.000 0.627 357 A CB -0.378 18.657 19.000 0.059 0.000 0.815 357 A HN 0.462 nan 8.150 nan 0.000 0.443 358 Q N -1.792 118.077 119.800 0.115 0.000 2.170 358 Q HA -0.141 4.222 4.340 0.038 0.000 0.203 358 Q C 1.862 177.989 176.000 0.211 0.000 0.976 358 Q CA 1.494 57.377 55.803 0.133 0.000 0.858 358 Q CB -0.277 28.521 28.738 0.099 0.000 0.907 358 Q HN 0.821 nan 8.270 nan 0.000 0.433 359 F N 1.100 121.097 119.950 0.077 0.000 2.113 359 F HA -0.174 4.380 4.527 0.044 0.000 0.297 359 F C 1.764 177.609 175.800 0.075 0.000 1.103 359 F CA 0.978 59.032 58.000 0.091 0.000 1.248 359 F CB 0.086 39.123 39.000 0.062 0.000 0.999 359 F HN -0.051 nan 8.300 nan 0.000 0.475 360 L N 0.162 121.337 121.223 -0.080 0.000 2.131 360 L HA -0.160 4.203 4.340 0.038 0.000 0.210 360 L C 2.729 179.526 176.870 -0.122 0.000 1.092 360 L CA 0.958 55.690 54.840 -0.181 0.000 0.759 360 L CB -1.341 40.702 42.059 -0.026 0.000 0.903 360 L HN 0.258 nan 8.230 nan 0.000 0.435 361 A N 0.631 123.430 122.820 -0.035 0.000 1.930 361 A HA 0.012 4.354 4.320 0.038 0.000 0.215 361 A C 2.444 180.020 177.584 -0.015 0.000 1.176 361 A CA 1.303 53.336 52.037 -0.007 0.000 0.632 361 A CB -1.020 18.001 19.000 0.035 0.000 0.819 361 A HN 0.393 nan 8.150 nan 0.000 0.445 362 G N -0.366 108.432 108.800 -0.002 0.000 2.422 362 G HA2 -0.113 3.869 3.960 0.038 0.000 0.218 362 G HA3 -0.113 3.869 3.960 0.038 0.000 0.218 362 G C 1.474 176.326 174.900 -0.080 0.000 1.146 362 G CA 1.229 46.331 45.100 0.002 0.000 0.769 362 G HN 0.293 nan 8.290 nan 0.000 0.547 363 V N 1.061 120.859 119.914 -0.193 0.000 2.407 363 V HA -0.143 4.000 4.120 0.038 0.000 0.248 363 V C 2.945 178.978 176.094 -0.102 0.000 1.055 363 V CA 1.644 63.825 62.300 -0.199 0.000 1.049 363 V CB -0.384 31.238 31.823 -0.335 0.000 0.662 363 V HN 0.233 nan 8.190 nan 0.000 0.455 364 R N -0.250 120.203 120.500 -0.078 0.000 2.148 364 R HA 0.068 4.431 4.340 0.038 0.000 0.227 364 R C 1.996 178.282 176.300 -0.025 0.000 1.103 364 R CA 1.202 57.278 56.100 -0.041 0.000 0.983 364 R CB -0.675 29.609 30.300 -0.027 0.000 0.874 364 R HN 0.485 nan 8.270 nan 0.000 0.451 365 I N -0.609 119.948 120.570 -0.021 0.000 2.480 365 I HA -0.028 4.164 4.170 0.038 0.000 0.251 365 I C 2.245 178.359 176.117 -0.004 0.000 1.124 365 I CA 1.137 62.434 61.300 -0.004 0.000 1.444 365 I CB -0.404 37.601 38.000 0.009 0.000 1.098 365 I HN 0.156 nan 8.210 nan 0.000 0.428 366 G N 0.433 109.220 108.800 -0.021 0.000 2.448 366 G HA2 -0.036 3.947 3.960 0.038 0.000 0.218 366 G HA3 -0.036 3.947 3.960 0.038 0.000 0.218 366 G C 0.860 175.753 174.900 -0.011 0.000 1.135 366 G CA 0.450 45.541 45.100 -0.014 0.000 0.784 366 G HN 0.242 nan 8.290 nan 0.000 0.543 367 V N 2.140 122.024 119.914 -0.049 0.000 2.468 367 V HA 0.206 4.349 4.120 0.038 0.000 0.256 367 V C -1.258 174.818 176.094 -0.030 0.000 0.998 367 V CA -1.031 61.204 62.300 -0.108 0.000 1.114 367 V CB 1.456 33.181 31.823 -0.163 0.000 1.378 367 V HN 0.088 nan 8.190 nan 0.000 0.573 368 P HA -0.200 nan 4.420 nan 0.000 0.218 368 P C 0.935 178.241 177.300 0.010 0.000 1.146 368 P CA 1.318 64.424 63.100 0.009 0.000 0.813 368 P CB 0.549 32.258 31.700 0.015 0.000 0.778 369 Q N -0.635 119.179 119.800 0.024 0.000 2.403 369 Q HA 0.298 4.661 4.340 0.038 0.000 0.203 369 Q C 0.793 176.795 176.000 0.004 0.000 0.932 369 Q CA -0.048 55.765 55.803 0.017 0.000 0.945 369 Q CB -0.303 28.455 28.738 0.033 0.000 1.045 369 Q HN 0.220 nan 8.270 nan 0.000 0.511 370 A N 0.739 123.556 122.820 -0.006 0.000 2.366 370 A HA 0.482 4.825 4.320 0.038 0.000 0.272 370 A C 0.459 178.034 177.584 -0.015 0.000 1.135 370 A CA -0.402 51.626 52.037 -0.016 0.000 0.804 370 A CB 0.277 19.264 19.000 -0.021 0.000 1.064 370 A HN 0.336 nan 8.150 nan 0.000 0.499 371 S N 1.822 117.511 115.700 -0.019 0.000 2.626 371 S HA 0.101 4.594 4.470 0.038 0.000 0.257 371 S C 0.394 174.990 174.600 -0.005 0.000 1.288 371 S CA 0.139 58.331 58.200 -0.013 0.000 0.980 371 S CB 0.360 63.548 63.200 -0.019 0.000 0.975 371 S HN 0.640 nan 8.310 nan 0.000 0.577 372 D N -0.000 120.400 120.400 0.001 0.000 2.144 372 D HA -0.070 4.593 4.640 0.038 0.000 0.200 372 D C 1.800 178.113 176.300 0.021 0.000 0.978 372 D CA 0.749 54.755 54.000 0.010 0.000 0.833 372 D CB -0.430 40.377 40.800 0.012 0.000 0.961 372 D HN 0.388 nan 8.370 nan 0.000 0.470 373 L N 1.269 122.504 121.223 0.020 0.000 2.027 373 L HA -0.027 4.335 4.340 0.038 0.000 0.206 373 L C 2.208 179.108 176.870 0.051 0.000 1.074 373 L CA 1.620 56.483 54.840 0.038 0.000 0.745 373 L CB -0.859 41.217 42.059 0.029 0.000 0.898 373 L HN -0.043 nan 8.230 nan 0.000 0.433 374 A N -0.463 122.367 122.820 0.016 0.000 1.902 374 A HA -0.112 4.230 4.320 0.038 0.000 0.217 374 A C 2.447 180.055 177.584 0.041 0.000 1.181 374 A CA 1.876 53.916 52.037 0.006 0.000 0.623 374 A CB -1.174 17.796 19.000 -0.050 0.000 0.818 374 A HN 0.573 nan 8.150 nan 0.000 0.443 375 A N -0.502 122.333 122.820 0.025 0.000 1.902 375 A HA -0.139 4.204 4.320 0.038 0.000 0.217 375 A C 1.982 179.596 177.584 0.050 0.000 1.181 375 A CA 2.125 54.173 52.037 0.020 0.000 0.623 375 A CB -0.446 18.551 19.000 -0.006 0.000 0.818 375 A HN 0.496 nan 8.150 nan 0.000 0.443 376 E N 0.273 120.515 120.200 0.069 0.000 2.106 376 E HA -0.035 4.337 4.350 0.038 0.000 0.192 376 E C 2.030 178.720 176.600 0.151 0.000 0.984 376 E CA 1.429 57.889 56.400 0.100 0.000 0.806 376 E CB -0.492 29.263 29.700 0.091 0.000 0.750 376 E HN 0.463 nan 8.360 nan 0.000 0.458 377 A N -0.003 122.925 122.820 0.181 0.000 1.908 377 A HA -0.155 4.187 4.320 0.038 0.000 0.218 377 A C 2.496 180.228 177.584 0.246 0.000 1.181 377 A CA 1.679 53.873 52.037 0.262 0.000 0.627 377 A CB -0.798 18.460 19.000 0.429 0.000 0.818 377 A HN 0.192 nan 8.150 nan 0.000 0.445 378 V N -0.416 119.653 119.914 0.257 0.000 2.295 378 V HA -0.244 3.899 4.120 0.038 0.000 0.246 378 V C 2.582 178.848 176.094 0.286 0.000 1.049 378 V CA 2.036 64.485 62.300 0.247 0.000 1.024 378 V CB -0.810 31.109 31.823 0.159 0.000 0.648 378 V HN 0.379 nan 8.190 nan 0.000 0.447 379 V N -0.141 119.888 119.914 0.192 0.000 2.287 379 V HA -0.264 3.879 4.120 0.038 0.000 0.248 379 V C 2.286 178.594 176.094 0.357 0.000 1.053 379 V CA 2.048 64.502 62.300 0.256 0.000 1.027 379 V CB -0.546 31.367 31.823 0.149 0.000 0.646 379 V HN 0.455 nan 8.190 nan 0.000 0.447 380 L N -0.693 120.724 121.223 0.322 0.000 2.141 380 L HA -0.183 4.180 4.340 0.038 0.000 0.209 380 L C 2.524 179.589 176.870 0.325 0.000 1.094 380 L CA 1.906 57.006 54.840 0.434 0.000 0.763 380 L CB -0.773 41.472 42.059 0.310 0.000 0.908 380 L HN 0.465 nan 8.230 nan 0.000 0.437 381 H N -0.828 118.247 119.070 0.008 0.000 2.395 381 H HA -0.158 4.423 4.556 0.041 0.000 0.299 381 H C 1.851 177.057 175.328 -0.204 0.000 1.070 381 H CA 1.745 57.635 56.048 -0.263 0.000 1.356 381 H CB 0.080 29.320 29.762 -0.869 0.000 1.401 381 H HN 0.220 nan 8.280 nan 0.000 0.524 382 Y N -0.012 120.338 120.300 0.083 0.000 2.517 382 Y HA 0.116 4.688 4.550 0.037 0.000 0.281 382 Y C 0.876 176.745 175.900 -0.051 0.000 1.125 382 Y CA 0.450 58.614 58.100 0.106 0.000 1.283 382 Y CB 0.179 38.849 38.460 0.350 0.000 1.042 382 Y HN 0.042 nan 8.280 nan 0.000 0.547 383 T N 1.588 116.127 114.554 -0.025 0.000 2.916 383 T HA -0.070 4.303 4.350 0.038 0.000 0.303 383 T C -0.153 174.160 174.700 -0.645 0.000 1.025 383 T CA -0.184 61.630 62.100 -0.478 0.000 1.142 383 T CB 0.262 68.565 68.868 -0.941 0.000 0.947 383 T HN 0.087 nan 8.240 nan 0.000 0.544 384 D N 2.125 122.205 120.400 -0.533 0.000 2.411 384 D HA 0.070 4.732 4.640 0.038 0.000 0.225 384 D C 0.174 176.178 176.300 -0.493 0.000 1.156 384 D CA -0.610 53.169 54.000 -0.368 0.000 0.874 384 D CB 0.370 41.044 40.800 -0.210 0.000 1.034 384 D HN 0.628 nan 8.370 nan 0.000 0.502 385 W N 3.122 124.348 121.300 -0.122 0.000 2.632 385 W HA -0.018 4.663 4.660 0.035 0.000 0.248 385 W C 2.013 178.418 176.519 -0.190 0.000 1.259 385 W CA -0.202 57.066 57.345 -0.127 0.000 1.288 385 W CB 0.108 29.506 29.460 -0.104 0.000 1.136 385 W HN 0.440 nan 8.180 nan 0.000 0.640 386 L N -1.271 119.845 121.223 -0.178 0.000 2.307 386 L HA -0.029 4.334 4.340 0.038 0.000 0.211 386 L C 0.186 176.674 176.870 -0.636 0.000 1.099 386 L CA 0.984 55.566 54.840 -0.429 0.000 0.816 386 L CB -0.092 41.579 42.059 -0.646 0.000 0.952 386 L HN 0.037 nan 8.230 nan 0.000 0.455 387 H N -1.942 116.993 119.070 -0.225 0.000 2.616 387 H HA 0.150 4.712 4.556 0.011 0.000 0.229 387 H C -1.858 173.285 175.328 -0.309 0.000 1.418 387 H CA -1.250 54.634 56.048 -0.273 0.000 1.248 387 H CB 0.068 29.564 29.762 -0.443 0.000 1.822 387 H HN -0.025 nan 8.280 nan 0.000 0.522 388 P HA -0.182 nan 4.420 nan 0.000 0.223 388 P C 0.438 177.619 177.300 -0.199 0.000 1.144 388 P CA 1.300 64.211 63.100 -0.314 0.000 0.783 388 P CB 0.608 32.153 31.700 -0.260 0.000 0.771 389 E N -0.745 119.391 120.200 -0.106 0.000 2.562 389 E HA 0.051 4.423 4.350 0.038 0.000 0.214 389 E C -0.037 176.525 176.600 -0.063 0.000 0.979 389 E CA -0.235 56.124 56.400 -0.068 0.000 1.002 389 E CB 0.071 29.755 29.700 -0.026 0.000 1.048 389 E HN 0.196 nan 8.360 nan 0.000 0.488 390 D N 3.255 123.614 120.400 -0.067 0.000 2.401 390 D HA -0.015 4.648 4.640 0.038 0.000 0.254 390 D C -1.071 175.202 176.300 -0.045 0.000 1.192 390 D CA -1.676 52.300 54.000 -0.040 0.000 0.885 390 D CB 1.214 42.001 40.800 -0.022 0.000 1.147 390 D HN -0.117 nan 8.370 nan 0.000 0.478 391 P HA -0.196 nan 4.420 nan 0.000 0.215 391 P C 1.154 178.390 177.300 -0.106 0.000 1.157 391 P CA 1.342 64.385 63.100 -0.095 0.000 0.868 391 P CB 0.075 31.713 31.700 -0.103 0.000 0.788 392 T N -0.916 113.590 114.554 -0.080 0.000 2.684 392 T HA -0.169 4.204 4.350 0.038 0.000 0.267 392 T C 1.763 176.402 174.700 -0.102 0.000 1.036 392 T CA 1.758 63.797 62.100 -0.102 0.000 1.148 392 T CB -1.049 67.758 68.868 -0.101 0.000 0.863 392 T HN 0.288 nan 8.240 nan 0.000 0.436 393 H N 0.542 119.537 119.070 -0.124 0.000 2.357 393 H HA 0.137 4.710 4.556 0.028 0.000 0.301 393 H C 2.170 177.389 175.328 -0.182 0.000 1.082 393 H CA 1.065 57.038 56.048 -0.124 0.000 1.342 393 H CB -0.381 29.299 29.762 -0.136 0.000 1.389 393 H HN 0.193 nan 8.280 nan 0.000 0.511 394 L N 0.056 121.201 121.223 -0.130 0.000 2.083 394 L HA -0.179 4.183 4.340 0.038 0.000 0.209 394 L C 2.760 179.562 176.870 -0.113 0.000 1.083 394 L CA 1.145 55.779 54.840 -0.342 0.000 0.752 394 L CB -0.319 41.559 42.059 -0.302 0.000 0.899 394 L HN 0.265 nan 8.230 nan 0.000 0.433 395 R N 0.600 121.083 120.500 -0.028 0.000 2.062 395 R HA -0.176 4.186 4.340 0.038 0.000 0.231 395 R C 1.633 178.055 176.300 0.204 0.000 1.136 395 R CA 2.086 58.248 56.100 0.103 0.000 0.948 395 R CB -0.399 29.800 30.300 -0.168 0.000 0.845 395 R HN 0.307 nan 8.270 nan 0.000 0.430 396 D N 0.500 120.963 120.400 0.104 0.000 2.218 396 D HA -0.078 4.584 4.640 0.038 0.000 0.204 396 D C 1.666 178.072 176.300 0.176 0.000 0.976 396 D CA 1.323 55.415 54.000 0.152 0.000 0.853 396 D CB -0.126 40.713 40.800 0.065 0.000 0.939 396 D HN 0.393 nan 8.370 nan 0.000 0.481 397 A N 0.481 123.378 122.820 0.128 0.000 1.929 397 A HA -0.110 4.233 4.320 0.038 0.000 0.216 397 A C 2.107 179.851 177.584 0.267 0.000 1.176 397 A CA 1.210 53.366 52.037 0.198 0.000 0.628 397 A CB -0.407 18.594 19.000 0.001 0.000 0.816 397 A HN 0.133 nan 8.150 nan 0.000 0.444 398 M N 0.101 119.904 119.600 0.338 0.000 2.117 398 M HA -0.103 4.400 4.480 0.038 0.000 0.262 398 M C 2.292 178.673 176.300 0.136 0.000 1.065 398 M CA 2.168 57.666 55.300 0.330 0.000 1.114 398 M CB -0.635 32.185 32.600 0.367 0.000 1.361 398 M HN 0.404 nan 8.290 nan 0.000 0.408 399 S N -0.286 115.521 115.700 0.178 0.000 2.356 399 S HA -0.116 4.377 4.470 0.038 0.000 0.223 399 S C 2.076 176.773 174.600 0.161 0.000 1.032 399 S CA 1.684 59.997 58.200 0.187 0.000 1.005 399 S CB -0.684 62.692 63.200 0.294 0.000 0.867 399 S HN 0.637 nan 8.310 nan 0.000 0.449 400 A N 0.876 123.809 122.820 0.188 0.000 1.908 400 A HA -0.025 4.317 4.320 0.038 0.000 0.218 400 A C 2.385 180.032 177.584 0.103 0.000 1.181 400 A CA 1.878 54.051 52.037 0.227 0.000 0.627 400 A CB -1.194 18.046 19.000 0.399 0.000 0.818 400 A HN 0.470 nan 8.150 nan 0.000 0.445 401 V N -0.447 119.373 119.914 -0.157 0.000 2.287 401 V HA -0.260 3.882 4.120 0.038 0.000 0.248 401 V C 2.589 178.633 176.094 -0.084 0.000 1.053 401 V CA 2.167 64.296 62.300 -0.286 0.000 1.027 401 V CB -0.740 30.913 31.823 -0.282 0.000 0.646 401 V HN 0.389 nan 8.190 nan 0.000 0.447 402 V N 0.598 120.483 119.914 -0.050 0.000 2.358 402 V HA -0.148 3.994 4.120 0.038 0.000 0.246 402 V C 2.583 178.585 176.094 -0.155 0.000 1.047 402 V CA 2.149 64.405 62.300 -0.074 0.000 1.035 402 V CB -1.253 30.574 31.823 0.007 0.000 0.658 402 V HN 0.620 nan 8.190 nan 0.000 0.452 403 G N -0.597 108.178 108.800 -0.042 0.000 2.422 403 G HA2 -0.197 3.785 3.960 0.038 0.000 0.218 403 G HA3 -0.197 3.785 3.960 0.038 0.000 0.218 403 G C 1.212 176.038 174.900 -0.122 0.000 1.140 403 G CA 0.865 45.938 45.100 -0.046 0.000 0.775 403 G HN 0.499 nan 8.290 nan 0.000 0.545 404 D N -0.188 120.157 120.400 -0.093 0.000 2.103 404 D HA -0.061 4.602 4.640 0.038 0.000 0.199 404 D C 2.088 178.058 176.300 -0.549 0.000 0.978 404 D CA 1.120 55.030 54.000 -0.151 0.000 0.829 404 D CB -0.492 40.410 40.800 0.169 0.000 0.981 404 D HN 0.363 nan 8.370 nan 0.000 0.464 405 H N 1.194 119.663 119.070 -1.003 0.000 2.319 405 H HA -0.027 4.552 4.556 0.038 0.000 0.299 405 H C 1.524 176.425 175.328 -0.711 0.000 1.092 405 H CA 1.822 57.083 56.048 -1.312 0.000 1.302 405 H CB 0.013 29.029 29.762 -1.244 0.000 1.373 405 H HN 0.002 nan 8.280 nan 0.000 0.497 406 N N -0.844 117.401 118.700 -0.759 0.000 2.368 406 N HA -0.016 4.746 4.740 0.038 0.000 0.176 406 N C 1.426 176.677 175.510 -0.431 0.000 1.021 406 N CA 1.199 53.755 53.050 -0.824 0.000 0.888 406 N CB 0.781 38.230 38.487 -1.729 0.000 0.995 406 N HN 0.281 nan 8.380 nan 0.000 0.437 407 V N -0.282 119.431 119.914 -0.335 0.000 3.449 407 V HA 0.044 4.187 4.120 0.038 0.000 0.208 407 V C 2.239 178.278 176.094 -0.091 0.000 1.269 407 V CA 0.205 62.440 62.300 -0.109 0.000 1.301 407 V CB -0.293 31.534 31.823 0.007 0.000 1.306 407 V HN -0.170 nan 8.190 nan 0.000 0.531 408 V N 0.252 120.120 119.914 -0.077 0.000 2.252 408 V HA -0.342 3.801 4.120 0.038 0.000 0.249 408 V C 2.512 178.562 176.094 -0.073 0.000 1.056 408 V CA 2.699 64.967 62.300 -0.053 0.000 1.022 408 V CB -0.981 30.846 31.823 0.007 0.000 0.641 408 V HN 0.679 nan 8.190 nan 0.000 0.445 409 c N -0.486 118.057 118.600 -0.095 0.000 2.440 409 c HA -0.003 4.589 4.570 0.038 0.000 0.278 409 c C 0.583 174.622 174.090 -0.085 0.000 1.295 409 c CA 0.951 57.248 56.329 -0.053 0.000 1.738 409 c CB -1.791 40.707 42.510 -0.021 0.000 1.987 409 c HN 0.449 nan 8.230 nan 0.000 0.492 410 P HA -0.048 nan 4.420 nan 0.000 0.218 410 P C 1.751 178.976 177.300 -0.125 0.000 1.149 410 P CA 1.234 64.246 63.100 -0.146 0.000 0.817 410 P CB -0.090 31.492 31.700 -0.197 0.000 0.785 411 V N -0.027 119.816 119.914 -0.120 0.000 2.358 411 V HA -0.221 3.921 4.120 0.038 0.000 0.246 411 V C 2.381 178.369 176.094 -0.177 0.000 1.047 411 V CA 2.166 64.380 62.300 -0.144 0.000 1.035 411 V CB -1.592 30.144 31.823 -0.145 0.000 0.658 411 V HN 0.088 nan 8.190 nan 0.000 0.452 412 A N -0.277 122.460 122.820 -0.138 0.000 1.902 412 A HA -0.316 4.027 4.320 0.038 0.000 0.217 412 A C 2.189 179.731 177.584 -0.071 0.000 1.181 412 A CA 2.244 54.212 52.037 -0.116 0.000 0.623 412 A CB -0.549 18.438 19.000 -0.020 0.000 0.818 412 A HN 0.587 nan 8.150 nan 0.000 0.443 413 Q N -0.568 119.203 119.800 -0.049 0.000 2.030 413 Q HA -0.184 4.179 4.340 0.038 0.000 0.204 413 Q C 1.901 177.870 176.000 -0.052 0.000 0.986 413 Q CA 2.060 57.846 55.803 -0.027 0.000 0.843 413 Q CB -0.487 28.230 28.738 -0.035 0.000 0.904 413 Q HN 0.508 nan 8.270 nan 0.000 0.420 414 L N 0.286 121.449 121.223 -0.101 0.000 2.017 414 L HA -0.068 4.295 4.340 0.038 0.000 0.208 414 L C 2.227 179.012 176.870 -0.142 0.000 1.073 414 L CA 2.326 57.091 54.840 -0.125 0.000 0.745 414 L CB -1.125 40.842 42.059 -0.152 0.000 0.894 414 L HN 0.326 nan 8.230 nan 0.000 0.432 415 A N -0.460 122.233 122.820 -0.211 0.000 1.883 415 A HA -0.144 4.199 4.320 0.038 0.000 0.217 415 A C 2.353 179.909 177.584 -0.046 0.000 1.186 415 A CA 1.830 53.685 52.037 -0.304 0.000 0.624 415 A CB -1.697 16.813 19.000 -0.817 0.000 0.822 415 A HN 0.556 nan 8.150 nan 0.000 0.444 416 G N -0.689 108.151 108.800 0.067 0.000 2.421 416 G HA2 -0.220 3.762 3.960 0.038 0.000 0.216 416 G HA3 -0.220 3.762 3.960 0.038 0.000 0.216 416 G C 1.670 176.644 174.900 0.124 0.000 1.171 416 G CA 0.866 46.092 45.100 0.209 0.000 0.775 416 G HN 0.423 nan 8.290 nan 0.000 0.543 417 R N 0.282 120.822 120.500 0.067 0.000 2.075 417 R HA 0.122 4.485 4.340 0.038 0.000 0.232 417 R C 2.668 179.036 176.300 0.112 0.000 1.126 417 R CA 0.491 56.643 56.100 0.087 0.000 0.963 417 R CB -1.205 29.140 30.300 0.076 0.000 0.858 417 R HN 0.402 nan 8.270 nan 0.000 0.435 418 L N 0.394 121.624 121.223 0.011 0.000 2.046 418 L HA -0.137 4.225 4.340 0.038 0.000 0.208 418 L C 2.624 179.550 176.870 0.094 0.000 1.077 418 L CA 1.505 56.328 54.840 -0.028 0.000 0.747 418 L CB -0.709 41.228 42.059 -0.202 0.000 0.896 418 L HN 0.156 nan 8.230 nan 0.000 0.432 419 A N 0.018 122.898 122.820 0.100 0.000 1.873 419 A HA -0.117 4.225 4.320 0.038 0.000 0.215 419 A C 2.531 180.177 177.584 0.102 0.000 1.186 419 A CA 1.585 53.692 52.037 0.116 0.000 0.616 419 A CB -0.705 18.407 19.000 0.188 0.000 0.823 419 A HN 0.385 nan 8.150 nan 0.000 0.442 420 A N -0.905 121.980 122.820 0.108 0.000 1.972 420 A HA -0.147 4.196 4.320 0.038 0.000 0.219 420 A C 1.775 179.414 177.584 0.093 0.000 1.169 420 A CA 1.561 53.649 52.037 0.086 0.000 0.635 420 A CB -0.351 18.698 19.000 0.083 0.000 0.810 420 A HN 0.620 nan 8.150 nan 0.000 0.446 421 Q N -1.578 118.308 119.800 0.143 0.000 2.286 421 Q HA 0.408 4.771 4.340 0.038 0.000 0.281 421 Q C 0.855 176.948 176.000 0.156 0.000 0.897 421 Q CA 0.341 56.233 55.803 0.148 0.000 1.023 421 Q CB 0.333 29.187 28.738 0.193 0.000 1.151 421 Q HN 0.767 nan 8.270 nan 0.000 0.445 422 G N -0.258 108.614 108.800 0.121 0.000 2.254 422 G HA2 -0.285 3.697 3.960 0.038 0.000 0.225 422 G HA3 -0.285 3.697 3.960 0.038 0.000 0.225 422 G C 0.381 175.351 174.900 0.116 0.000 1.003 422 G CA -0.232 44.929 45.100 0.102 0.000 0.622 422 G HN 0.575 nan 8.290 nan 0.000 0.507 423 A N 0.204 123.118 122.820 0.157 0.000 2.332 423 A HA 0.726 5.068 4.320 0.038 0.000 0.258 423 A C 0.637 178.257 177.584 0.059 0.000 1.087 423 A CA 0.590 52.697 52.037 0.117 0.000 0.802 423 A CB 0.369 19.425 19.000 0.094 0.000 1.042 423 A HN 0.779 nan 8.150 nan 0.000 0.489 424 R N 0.993 121.521 120.500 0.048 0.000 2.229 424 R HA 0.532 4.895 4.340 0.038 0.000 0.328 424 R C -1.565 174.713 176.300 -0.037 0.000 1.009 424 R CA -0.177 55.916 56.100 -0.012 0.000 0.864 424 R CB 0.579 30.903 30.300 0.040 0.000 1.085 424 R HN 0.475 nan 8.270 nan 0.000 0.453 425 V N 5.428 125.245 119.914 -0.161 0.000 2.656 425 V HA 0.438 4.581 4.120 0.038 0.000 0.307 425 V C -1.201 174.696 176.094 -0.329 0.000 1.051 425 V CA -0.825 61.398 62.300 -0.128 0.000 0.893 425 V CB 1.714 33.533 31.823 -0.006 0.000 0.999 425 V HN 0.667 nan 8.190 nan 0.000 0.426 426 Y N 1.922 122.191 120.300 -0.052 0.000 2.409 426 Y HA 0.811 5.384 4.550 0.037 0.000 0.343 426 Y C 0.293 176.252 175.900 0.099 0.000 0.973 426 Y CA -0.528 57.535 58.100 -0.062 0.000 1.064 426 Y CB 2.293 40.388 38.460 -0.608 0.000 1.207 426 Y HN 0.798 nan 8.280 nan 0.000 0.452 427 A N 2.916 126.077 122.820 0.569 0.000 2.413 427 A HA 0.895 5.238 4.320 0.038 0.000 0.307 427 A C -1.886 176.064 177.584 0.609 0.000 1.087 427 A CA -0.699 51.556 52.037 0.363 0.000 0.750 427 A CB 1.307 20.352 19.000 0.076 0.000 1.296 427 A HN 0.755 nan 8.150 nan 0.000 0.423 428 Y N -0.951 119.590 120.300 0.402 0.000 2.625 428 Y HA 0.796 5.368 4.550 0.037 0.000 0.338 428 Y C -1.310 174.773 175.900 0.306 0.000 1.123 428 Y CA -1.698 56.606 58.100 0.340 0.000 1.046 428 Y CB 1.245 39.899 38.460 0.323 0.000 1.299 428 Y HN 0.734 nan 8.280 nan 0.000 0.464 429 I N 2.882 123.793 120.570 0.569 0.000 2.499 429 I HA 0.459 4.651 4.170 0.038 0.000 0.288 429 I C -1.906 174.568 176.117 0.596 0.000 1.048 429 I CA -0.994 60.596 61.300 0.483 0.000 1.062 429 I CB 1.145 39.361 38.000 0.360 0.000 1.238 429 I HN 0.727 nan 8.210 nan 0.000 0.426 430 F N 7.359 127.610 119.950 0.503 0.000 2.411 430 F HA 0.389 4.939 4.527 0.039 0.000 0.355 430 F C 0.556 176.524 175.800 0.279 0.000 1.117 430 F CA 0.112 58.340 58.000 0.381 0.000 1.139 430 F CB 0.872 40.105 39.000 0.388 0.000 1.120 430 F HN 0.534 nan 8.300 nan 0.000 0.493 431 E N 3.140 123.265 120.200 -0.125 0.000 2.660 431 E HA -0.014 4.359 4.350 0.038 0.000 0.216 431 E C -0.814 175.696 176.600 -0.150 0.000 0.986 431 E CA -0.186 56.190 56.400 -0.041 0.000 1.037 431 E CB 0.241 29.942 29.700 0.001 0.000 1.041 431 E HN 0.496 nan 8.360 nan 0.000 0.480 432 H N 1.724 120.462 119.070 -0.552 0.000 2.604 432 H HA 0.231 4.809 4.556 0.037 0.000 0.306 432 H C -0.452 174.859 175.328 -0.027 0.000 1.075 432 H CA -0.534 55.260 56.048 -0.423 0.000 1.357 432 H CB 0.499 29.786 29.762 -0.791 0.000 1.426 432 H HN -0.134 nan 8.280 nan 0.000 0.470 433 R N 4.224 124.414 120.500 -0.516 0.000 2.216 433 R HA 0.472 4.835 4.340 0.038 0.000 0.332 433 R C -0.505 175.544 176.300 -0.418 0.000 1.056 433 R CA -0.599 55.346 56.100 -0.258 0.000 0.901 433 R CB 0.272 30.514 30.300 -0.097 0.000 1.039 433 R HN 0.824 nan 8.270 nan 0.000 0.456 434 A N 3.274 126.118 122.820 0.039 0.000 2.567 434 A HA -0.030 4.312 4.320 0.038 0.000 0.240 434 A C 1.394 179.099 177.584 0.202 0.000 1.053 434 A CA 0.639 52.903 52.037 0.377 0.000 0.755 434 A CB 0.232 19.587 19.000 0.592 0.000 0.978 434 A HN 1.036 nan 8.150 nan 0.000 0.507 435 S N 1.705 117.572 115.700 0.279 0.000 2.419 435 S HA -0.177 4.316 4.470 0.038 0.000 0.235 435 S C 1.372 176.001 174.600 0.049 0.000 1.019 435 S CA 1.717 60.006 58.200 0.148 0.000 0.982 435 S CB -0.849 62.459 63.200 0.179 0.000 0.789 435 S HN 1.326 nan 8.310 nan 0.000 0.490 436 T N -0.916 113.646 114.554 0.013 0.000 3.144 436 T HA 0.377 4.750 4.350 0.038 0.000 0.249 436 T C 0.327 174.985 174.700 -0.071 0.000 1.089 436 T CA -0.572 61.464 62.100 -0.107 0.000 0.989 436 T CB -0.510 68.170 68.868 -0.313 0.000 0.992 436 T HN 0.219 nan 8.240 nan 0.000 0.540 437 L N 3.760 124.977 121.223 -0.010 0.000 2.490 437 L HA 0.244 4.607 4.340 0.038 0.000 0.274 437 L C 1.554 178.384 176.870 -0.068 0.000 1.201 437 L CA 0.892 55.707 54.840 -0.043 0.000 0.869 437 L CB 0.854 42.891 42.059 -0.037 0.000 1.123 437 L HN 0.447 nan 8.230 nan 0.000 0.484 438 T N -1.021 113.453 114.554 -0.133 0.000 3.023 438 T HA 0.132 4.505 4.350 0.038 0.000 0.253 438 T C 0.288 174.995 174.700 0.011 0.000 1.038 438 T CA -0.451 61.578 62.100 -0.119 0.000 0.962 438 T CB -0.287 68.400 68.868 -0.302 0.000 1.018 438 T HN 0.381 nan 8.240 nan 0.000 0.521 439 W N 3.524 124.842 121.300 0.030 0.000 2.161 439 W HA 0.431 5.113 4.660 0.037 0.000 0.344 439 W C -1.932 174.511 176.519 -0.127 0.000 1.262 439 W CA -2.149 55.203 57.345 0.012 0.000 1.270 439 W CB 0.239 29.630 29.460 -0.115 0.000 1.126 439 W HN -0.051 nan 8.180 nan 0.000 0.598 440 P HA -0.039 nan 4.420 nan 0.000 0.271 440 P C 0.583 177.819 177.300 -0.106 0.000 1.233 440 P CA 0.153 63.220 63.100 -0.055 0.000 0.789 440 P CB 0.915 32.582 31.700 -0.056 0.000 0.951 441 L N 0.095 121.320 121.223 0.003 0.000 2.083 441 L HA -0.121 4.242 4.340 0.038 0.000 0.209 441 L C 2.602 179.521 176.870 0.082 0.000 1.083 441 L CA 1.383 56.246 54.840 0.040 0.000 0.752 441 L CB -0.836 41.273 42.059 0.083 0.000 0.899 441 L HN 0.618 nan 8.230 nan 0.000 0.433 442 W N -0.495 120.852 121.300 0.078 0.000 2.468 442 W HA -0.174 4.509 4.660 0.037 0.000 0.262 442 W C 1.635 178.221 176.519 0.111 0.000 1.241 442 W CA 0.476 57.871 57.345 0.083 0.000 1.232 442 W CB -0.807 28.700 29.460 0.079 0.000 1.124 442 W HN 0.198 nan 8.180 nan 0.000 0.597 443 M N 1.268 120.619 119.600 -0.415 0.000 2.619 443 M HA 0.134 4.637 4.480 0.038 0.000 0.251 443 M C 1.825 178.082 176.300 -0.071 0.000 1.106 443 M CA 1.346 56.391 55.300 -0.425 0.000 1.086 443 M CB -0.580 31.596 32.600 -0.707 0.000 1.465 443 M HN 0.180 nan 8.290 nan 0.000 0.506 444 G N 0.773 109.575 108.800 0.003 0.000 2.591 444 G HA2 -0.294 3.689 3.960 0.038 0.000 0.298 444 G HA3 -0.294 3.689 3.960 0.038 0.000 0.298 444 G C -0.115 174.822 174.900 0.062 0.000 1.195 444 G CA -0.100 45.037 45.100 0.061 0.000 0.989 444 G HN 0.237 nan 8.290 nan 0.000 0.551 445 V N 3.776 123.769 119.914 0.130 0.000 2.277 445 V HA 0.474 4.616 4.120 0.038 0.000 0.269 445 V C -1.798 174.441 176.094 0.241 0.000 1.036 445 V CA -0.787 61.639 62.300 0.211 0.000 0.821 445 V CB 1.206 33.206 31.823 0.295 0.000 1.052 445 V HN 0.537 nan 8.190 nan 0.000 0.462 446 P HA 0.198 nan 4.420 nan 0.000 0.276 446 P C -0.263 177.255 177.300 0.363 0.000 1.252 446 P CA -0.584 62.659 63.100 0.238 0.000 0.802 446 P CB 0.389 32.129 31.700 0.065 0.000 1.035 447 H N 0.615 119.750 119.070 0.108 0.000 3.167 447 H HA 0.210 4.788 4.556 0.037 0.000 0.306 447 H C 1.586 176.805 175.328 -0.181 0.000 0.965 447 H CA 2.411 58.453 56.048 -0.009 0.000 1.408 447 H CB -0.773 28.940 29.762 -0.082 0.000 1.406 447 H HN 0.753 nan 8.280 nan 0.000 0.576 448 G N 3.584 112.148 108.800 -0.394 0.000 2.195 448 G HA2 -0.324 3.659 3.960 0.038 0.000 0.246 448 G HA3 -0.324 3.659 3.960 0.038 0.000 0.246 448 G C 0.555 175.278 174.900 -0.295 0.000 0.984 448 G CA 0.390 45.220 45.100 -0.450 0.000 0.633 448 G HN 0.649 nan 8.290 nan 0.000 0.525 449 Y N 1.501 121.880 120.300 0.131 0.000 2.495 449 Y HA 0.274 4.847 4.550 0.039 0.000 0.293 449 Y C 2.211 178.212 175.900 0.170 0.000 1.186 449 Y CA 0.879 59.112 58.100 0.222 0.000 1.266 449 Y CB 0.397 39.032 38.460 0.291 0.000 1.101 449 Y HN 0.519 nan 8.280 nan 0.000 0.517 450 E N -0.242 119.899 120.200 -0.098 0.000 2.431 450 E HA -0.017 4.356 4.350 0.038 0.000 0.200 450 E C 1.563 178.013 176.600 -0.250 0.000 0.995 450 E CA 0.465 56.469 56.400 -0.659 0.000 0.915 450 E CB -0.387 28.495 29.700 -1.363 0.000 0.930 450 E HN 0.528 nan 8.360 nan 0.000 0.496 451 I N 3.026 123.541 120.570 -0.091 0.000 2.163 451 I HA -0.313 3.880 4.170 0.038 0.000 0.243 451 I C 2.719 178.805 176.117 -0.052 0.000 1.085 451 I CA 2.181 63.477 61.300 -0.008 0.000 1.347 451 I CB -0.474 37.596 38.000 0.116 0.000 1.044 451 I HN 0.212 nan 8.210 nan 0.000 0.408 452 E N 1.054 121.157 120.200 -0.162 0.000 2.160 452 E HA -0.242 4.131 4.350 0.038 0.000 0.195 452 E C 2.061 178.373 176.600 -0.481 0.000 0.991 452 E CA 1.520 57.720 56.400 -0.333 0.000 0.810 452 E CB -0.545 28.918 29.700 -0.395 0.000 0.742 452 E HN 0.434 nan 8.360 nan 0.000 0.466 453 F N 1.378 121.204 119.950 -0.206 0.000 2.163 453 F HA -0.047 4.504 4.527 0.039 0.000 0.297 453 F C 2.368 177.927 175.800 -0.401 0.000 1.094 453 F CA 0.585 58.406 58.000 -0.298 0.000 1.290 453 F CB -0.176 38.723 39.000 -0.169 0.000 1.017 453 F HN -0.024 nan 8.300 nan 0.000 0.483 454 I N -0.923 119.473 120.570 -0.289 0.000 2.286 454 I HA -0.277 3.916 4.170 0.038 0.000 0.248 454 I C 2.098 177.953 176.117 -0.436 0.000 1.115 454 I CA 1.590 62.553 61.300 -0.562 0.000 1.392 454 I CB -1.480 36.068 38.000 -0.755 0.000 1.065 454 I HN 0.078 nan 8.210 nan 0.000 0.418 455 F N 0.994 120.750 119.950 -0.323 0.000 2.748 455 F HA 0.191 4.741 4.527 0.037 0.000 0.299 455 F C 1.898 177.571 175.800 -0.212 0.000 1.154 455 F CA 0.863 58.724 58.000 -0.231 0.000 1.446 455 F CB -0.301 38.553 39.000 -0.244 0.000 1.112 455 F HN 0.299 nan 8.300 nan 0.000 0.584 456 G N -0.013 108.641 108.800 -0.243 0.000 2.137 456 G HA2 -0.304 3.679 3.960 0.038 0.000 0.237 456 G HA3 -0.304 3.679 3.960 0.038 0.000 0.237 456 G C 0.999 175.311 174.900 -0.981 0.000 1.002 456 G CA 0.325 45.160 45.100 -0.442 0.000 0.702 456 G HN 0.312 nan 8.290 nan 0.000 0.515 457 L N 0.391 121.095 121.223 -0.865 0.000 2.079 457 L HA 0.034 4.397 4.340 0.038 0.000 0.210 457 L C 0.442 176.861 176.870 -0.752 0.000 1.081 457 L CA 2.707 56.994 54.840 -0.922 0.000 0.752 457 L CB -0.861 40.938 42.059 -0.433 0.000 0.896 457 L HN 0.203 nan 8.230 nan 0.000 0.433 458 P HA -0.157 nan 4.420 nan 0.000 0.223 458 P C 1.493 178.633 177.300 -0.268 0.000 1.144 458 P CA 0.908 63.621 63.100 -0.645 0.000 0.783 458 P CB 0.046 31.292 31.700 -0.757 0.000 0.771 459 L N -1.345 119.635 121.223 -0.406 0.000 2.551 459 L HA -0.023 4.339 4.340 0.038 0.000 0.228 459 L C 0.877 177.697 176.870 -0.084 0.000 1.153 459 L CA 1.122 55.830 54.840 -0.221 0.000 0.851 459 L CB -1.027 40.902 42.059 -0.216 0.000 0.959 459 L HN -0.057 nan 8.230 nan 0.000 0.451 460 D N -0.455 119.878 120.400 -0.112 0.000 2.380 460 D HA 0.126 4.789 4.640 0.038 0.000 0.230 460 D C -1.641 174.696 176.300 0.062 0.000 1.154 460 D CA -2.235 51.812 54.000 0.078 0.000 0.859 460 D CB 1.554 42.444 40.800 0.150 0.000 1.045 460 D HN -0.068 nan 8.370 nan 0.000 0.495 461 P HA -0.192 nan 4.420 nan 0.000 0.217 461 P C 1.244 178.563 177.300 0.031 0.000 1.151 461 P CA 1.304 64.431 63.100 0.045 0.000 0.849 461 P CB 0.118 31.841 31.700 0.038 0.000 0.787 462 S N -1.598 114.118 115.700 0.027 0.000 2.555 462 S HA -0.020 4.473 4.470 0.038 0.000 0.230 462 S C 1.605 176.190 174.600 -0.025 0.000 0.978 462 S CA 0.576 58.777 58.200 0.001 0.000 0.934 462 S CB -1.297 61.904 63.200 0.003 0.000 0.766 462 S HN 0.114 nan 8.310 nan 0.000 0.533 463 L N 0.674 121.889 121.223 -0.013 0.000 2.558 463 L HA 0.195 4.558 4.340 0.038 0.000 0.225 463 L C 0.212 176.955 176.870 -0.212 0.000 1.128 463 L CA -0.087 54.699 54.840 -0.090 0.000 0.868 463 L CB -0.666 41.397 42.059 0.007 0.000 1.006 463 L HN 0.246 nan 8.230 nan 0.000 0.454 464 N N -1.190 117.451 118.700 -0.099 0.000 2.747 464 N HA -0.227 4.536 4.740 0.038 0.000 0.249 464 N C -0.616 174.827 175.510 -0.113 0.000 1.107 464 N CA 0.812 53.800 53.050 -0.103 0.000 0.707 464 N CB -1.772 36.637 38.487 -0.130 0.000 1.054 464 N HN 0.277 nan 8.380 nan 0.000 0.555 465 Y N 0.820 121.120 120.300 -0.000 0.000 2.307 465 Y HA 0.227 4.800 4.550 0.037 0.000 0.324 465 Y C 1.872 177.807 175.900 0.060 0.000 1.238 465 Y CA -0.064 58.065 58.100 0.049 0.000 1.280 465 Y CB 0.601 39.089 38.460 0.047 0.000 1.248 465 Y HN 0.098 nan 8.280 nan 0.000 0.508 466 T N -2.550 112.163 114.554 0.266 0.000 2.802 466 T HA -0.046 4.327 4.350 0.038 0.000 0.305 466 T C 1.279 176.061 174.700 0.137 0.000 1.053 466 T CA 0.008 62.204 62.100 0.159 0.000 1.058 466 T CB 0.914 69.864 68.868 0.137 0.000 0.988 466 T HN 0.798 nan 8.240 nan 0.000 0.539 467 T N 0.186 114.789 114.554 0.081 0.000 2.915 467 T HA -0.069 4.304 4.350 0.038 0.000 0.269 467 T C 1.615 176.344 174.700 0.048 0.000 1.071 467 T CA 1.653 63.788 62.100 0.058 0.000 1.132 467 T CB -0.544 68.346 68.868 0.036 0.000 0.878 467 T HN 0.776 nan 8.240 nan 0.000 0.479 468 E N 0.934 121.156 120.200 0.036 0.000 2.106 468 E HA -0.043 4.330 4.350 0.038 0.000 0.192 468 E C 2.229 178.841 176.600 0.020 0.000 0.984 468 E CA 1.009 57.406 56.400 -0.004 0.000 0.806 468 E CB -0.104 29.560 29.700 -0.059 0.000 0.750 468 E HN 0.608 nan 8.360 nan 0.000 0.458 469 E N 0.491 120.747 120.200 0.093 0.000 2.153 469 E HA -0.185 4.187 4.350 0.038 0.000 0.194 469 E C 2.117 178.840 176.600 0.205 0.000 0.988 469 E CA 0.717 57.254 56.400 0.228 0.000 0.811 469 E CB -0.059 29.911 29.700 0.450 0.000 0.746 469 E HN 0.125 nan 8.360 nan 0.000 0.466 470 R N 1.018 121.580 120.500 0.104 0.000 2.092 470 R HA -0.114 4.249 4.340 0.038 0.000 0.231 470 R C 2.141 178.453 176.300 0.020 0.000 1.119 470 R CA 1.064 57.178 56.100 0.023 0.000 0.970 470 R CB -0.155 30.155 30.300 0.018 0.000 0.864 470 R HN 0.144 nan 8.270 nan 0.000 0.440 471 I N 0.536 121.132 120.570 0.044 0.000 2.252 471 I HA -0.231 3.962 4.170 0.038 0.000 0.245 471 I C 2.176 178.333 176.117 0.066 0.000 1.102 471 I CA 0.791 62.110 61.300 0.032 0.000 1.385 471 I CB -0.320 37.694 38.000 0.023 0.000 1.064 471 I HN 0.160 nan 8.210 nan 0.000 0.414 472 F N 2.089 121.979 119.950 -0.100 0.000 2.069 472 F HA -0.266 4.285 4.527 0.039 0.000 0.298 472 F C 2.491 178.246 175.800 -0.076 0.000 1.113 472 F CA 1.424 59.345 58.000 -0.132 0.000 1.214 472 F CB -0.830 38.021 39.000 -0.249 0.000 0.978 472 F HN 0.031 nan 8.300 nan 0.000 0.474 473 A N 0.053 122.820 122.820 -0.089 0.000 1.917 473 A HA -0.277 4.065 4.320 0.038 0.000 0.219 473 A C 2.167 179.618 177.584 -0.223 0.000 1.182 473 A CA 2.008 53.925 52.037 -0.200 0.000 0.633 473 A CB -0.998 17.919 19.000 -0.138 0.000 0.819 473 A HN 0.643 nan 8.150 nan 0.000 0.448 474 Q N -0.957 118.757 119.800 -0.143 0.000 2.124 474 Q HA -0.179 4.184 4.340 0.038 0.000 0.202 474 Q C 2.386 178.277 176.000 -0.181 0.000 0.977 474 Q CA 1.496 57.221 55.803 -0.131 0.000 0.850 474 Q CB -0.178 28.514 28.738 -0.077 0.000 0.901 474 Q HN 0.635 nan 8.270 nan 0.000 0.429 475 R N 0.293 120.667 120.500 -0.211 0.000 2.073 475 R HA -0.120 4.243 4.340 0.038 0.000 0.234 475 R C 2.346 178.314 176.300 -0.554 0.000 1.134 475 R CA 1.196 57.081 56.100 -0.358 0.000 0.952 475 R CB -0.322 29.837 30.300 -0.234 0.000 0.850 475 R HN 0.243 nan 8.270 nan 0.000 0.433 476 L N 0.078 121.063 121.223 -0.397 0.000 2.046 476 L HA -0.204 4.159 4.340 0.038 0.000 0.208 476 L C 2.563 179.362 176.870 -0.118 0.000 1.077 476 L CA 1.413 56.115 54.840 -0.230 0.000 0.747 476 L CB -0.385 41.398 42.059 -0.460 0.000 0.896 476 L HN 0.257 nan 8.230 nan 0.000 0.432 477 M N -0.822 118.658 119.600 -0.201 0.000 2.149 477 M HA -0.194 4.309 4.480 0.038 0.000 0.261 477 M C 2.305 178.599 176.300 -0.010 0.000 1.064 477 M CA 1.481 56.706 55.300 -0.125 0.000 1.102 477 M CB -0.282 32.236 32.600 -0.137 0.000 1.369 477 M HN 0.071 nan 8.290 nan 0.000 0.408 478 K N -0.160 120.199 120.400 -0.070 0.000 2.057 478 K HA -0.116 4.227 4.320 0.038 0.000 0.206 478 K C 1.867 178.535 176.600 0.113 0.000 1.050 478 K CA 1.597 57.863 56.287 -0.034 0.000 0.935 478 K CB -0.382 32.035 32.500 -0.138 0.000 0.715 478 K HN 0.311 nan 8.250 nan 0.000 0.439 479 Y N -0.235 120.196 120.300 0.218 0.000 2.114 479 Y HA -0.225 4.348 4.550 0.037 0.000 0.284 479 Y C 2.457 178.495 175.900 0.230 0.000 1.143 479 Y CA 0.670 58.930 58.100 0.266 0.000 1.135 479 Y CB -0.898 37.870 38.460 0.513 0.000 0.980 479 Y HN 0.210 nan 8.280 nan 0.000 0.499 480 W N 0.620 121.998 121.300 0.129 0.000 2.358 480 W HA -0.230 4.453 4.660 0.037 0.000 0.303 480 W C 2.415 178.936 176.519 0.004 0.000 1.208 480 W CA 2.208 59.564 57.345 0.018 0.000 1.274 480 W CB -0.598 28.793 29.460 -0.116 0.000 1.138 480 W HN 0.235 nan 8.180 nan 0.000 0.515 481 T N -2.443 112.222 114.554 0.185 0.000 2.942 481 T HA -0.106 4.267 4.350 0.038 0.000 0.265 481 T C 1.438 176.166 174.700 0.048 0.000 1.062 481 T CA 0.969 63.108 62.100 0.067 0.000 1.139 481 T CB -0.559 68.326 68.868 0.029 0.000 0.883 481 T HN -0.057 nan 8.240 nan 0.000 0.468 482 N N 0.909 119.657 118.700 0.080 0.000 2.142 482 N HA 0.006 4.769 4.740 0.038 0.000 0.186 482 N C 1.414 176.919 175.510 -0.008 0.000 1.023 482 N CA 0.954 54.027 53.050 0.038 0.000 0.852 482 N CB -0.599 37.932 38.487 0.074 0.000 0.998 482 N HN 0.441 nan 8.380 nan 0.000 0.424 483 F N 1.855 121.717 119.950 -0.147 0.000 2.126 483 F HA -0.119 4.431 4.527 0.039 0.000 0.299 483 F C 2.204 177.916 175.800 -0.146 0.000 1.096 483 F CA 1.417 59.277 58.000 -0.234 0.000 1.255 483 F CB -0.466 38.306 39.000 -0.381 0.000 0.997 483 F HN 0.028 nan 8.300 nan 0.000 0.479 484 A N 0.429 123.176 122.820 -0.122 0.000 1.902 484 A HA -0.185 4.158 4.320 0.038 0.000 0.217 484 A C 2.379 179.851 177.584 -0.187 0.000 1.181 484 A CA 1.753 53.688 52.037 -0.170 0.000 0.623 484 A CB -0.737 18.233 19.000 -0.050 0.000 0.818 484 A HN 0.452 nan 8.150 nan 0.000 0.443 485 R N -1.210 119.212 120.500 -0.130 0.000 2.075 485 R HA -0.082 4.281 4.340 0.038 0.000 0.232 485 R C 2.077 178.291 176.300 -0.143 0.000 1.126 485 R CA 1.870 57.905 56.100 -0.108 0.000 0.963 485 R CB -0.180 30.084 30.300 -0.061 0.000 0.858 485 R HN 0.731 nan 8.270 nan 0.000 0.435 486 T N -5.393 109.054 114.554 -0.180 0.000 2.975 486 T HA 0.234 4.607 4.350 0.038 0.000 0.261 486 T C 1.103 175.669 174.700 -0.224 0.000 0.984 486 T CA 0.428 62.430 62.100 -0.163 0.000 0.911 486 T CB 1.360 70.169 68.868 -0.099 0.000 1.127 486 T HN 0.326 nan 8.240 nan 0.000 0.514 487 G N 1.205 109.741 108.800 -0.441 0.000 2.143 487 G HA2 -0.156 3.827 3.960 0.038 0.000 0.249 487 G HA3 -0.156 3.827 3.960 0.038 0.000 0.249 487 G C -0.381 174.409 174.900 -0.184 0.000 0.981 487 G CA 0.181 44.959 45.100 -0.535 0.000 0.665 487 G HN 0.804 nan 8.290 nan 0.000 0.528 488 D N -0.733 119.557 120.400 -0.183 0.000 2.890 488 D HA 0.412 5.075 4.640 0.038 0.000 0.233 488 D C -1.665 174.465 176.300 -0.283 0.000 1.306 488 D CA -1.362 52.492 54.000 -0.243 0.000 0.929 488 D CB 2.154 42.905 40.800 -0.082 0.000 1.512 488 D HN -0.011 nan 8.370 nan 0.000 0.568 489 P HA -0.020 nan 4.420 nan 0.000 0.237 489 P C 0.020 177.302 177.300 -0.030 0.000 1.178 489 P CA 0.023 62.927 63.100 -0.327 0.000 0.766 489 P CB 0.418 31.612 31.700 -0.843 0.000 0.876 490 N N 1.640 120.290 118.700 -0.082 0.000 2.518 490 N HA 0.016 4.778 4.740 0.038 0.000 0.266 490 N C 0.064 175.641 175.510 0.111 0.000 1.196 490 N CA 0.316 53.428 53.050 0.103 0.000 0.947 490 N CB 0.451 38.992 38.487 0.089 0.000 1.098 490 N HN 0.005 nan 8.380 nan 0.000 0.450 491 D N 1.981 122.474 120.400 0.154 0.000 2.338 491 D HA 0.116 4.778 4.640 0.038 0.000 0.255 491 D C -1.583 174.762 176.300 0.074 0.000 1.237 491 D CA -1.498 52.565 54.000 0.104 0.000 0.883 491 D CB 0.971 41.834 40.800 0.105 0.000 1.087 491 D HN 0.257 nan 8.370 nan 0.000 0.485 492 P HA -0.000 nan 4.420 nan 0.000 0.242 492 P C 0.958 178.279 177.300 0.036 0.000 1.197 492 P CA 0.616 63.739 63.100 0.039 0.000 0.765 492 P CB 0.381 32.096 31.700 0.024 0.000 0.936 493 R N 0.153 120.676 120.500 0.038 0.000 2.103 493 R HA 0.091 4.454 4.340 0.038 0.000 0.212 493 R C 0.916 177.238 176.300 0.037 0.000 1.107 493 R CA 0.730 56.849 56.100 0.032 0.000 1.025 493 R CB -1.628 28.688 30.300 0.027 0.000 0.929 493 R HN 0.232 nan 8.270 nan 0.000 0.456 494 D N -0.434 119.994 120.400 0.047 0.000 2.443 494 D HA 0.394 5.056 4.640 0.038 0.000 0.239 494 D C 0.453 176.785 176.300 0.054 0.000 1.136 494 D CA 0.980 55.011 54.000 0.052 0.000 0.879 494 D CB 1.159 41.998 40.800 0.066 0.000 1.195 494 D HN 0.475 nan 8.370 nan 0.000 0.443 495 S N 2.671 118.399 115.700 0.048 0.000 2.809 495 S HA 0.286 4.779 4.470 0.038 0.000 0.248 495 S C 0.216 174.844 174.600 0.047 0.000 1.071 495 S CA -0.540 57.687 58.200 0.046 0.000 1.059 495 S CB 0.109 63.331 63.200 0.037 0.000 0.923 495 S HN 0.310 nan 8.310 nan 0.000 0.516 496 K N 0.956 121.388 120.400 0.054 0.000 2.659 496 K HA 0.307 4.650 4.320 0.038 0.000 0.308 496 K C 0.392 177.031 176.600 0.065 0.000 1.342 496 K CA 0.233 56.551 56.287 0.052 0.000 1.052 496 K CB -0.368 32.157 32.500 0.041 0.000 1.416 496 K HN 0.107 nan 8.250 nan 0.000 0.524 497 S N 2.208 117.956 115.700 0.081 0.000 2.288 497 S HA 0.315 4.807 4.470 0.038 0.000 0.191 497 S C -1.249 173.408 174.600 0.095 0.000 1.028 497 S CA 0.020 58.284 58.200 0.106 0.000 1.030 497 S CB -1.220 62.063 63.200 0.140 0.000 0.932 497 S HN 0.647 nan 8.310 nan 0.000 0.463 498 P HA 0.205 nan 4.420 nan 0.000 0.270 498 P C -0.795 176.579 177.300 0.124 0.000 1.223 498 P CA -0.081 63.070 63.100 0.085 0.000 0.785 498 P CB 0.361 32.093 31.700 0.054 0.000 0.923 499 Q N 0.323 120.201 119.800 0.131 0.000 2.352 499 Q HA 0.079 4.441 4.340 0.038 0.000 0.260 499 Q C -0.453 175.694 176.000 0.246 0.000 0.976 499 Q CA 0.248 56.162 55.803 0.184 0.000 0.881 499 Q CB 0.737 29.570 28.738 0.159 0.000 1.235 499 Q HN 0.566 nan 8.270 nan 0.000 0.419 500 W N 6.636 127.980 121.300 0.073 0.000 2.357 500 W HA 0.284 4.968 4.660 0.040 0.000 0.317 500 W C -2.446 174.198 176.519 0.208 0.000 1.101 500 W CA -2.502 54.895 57.345 0.087 0.000 1.380 500 W CB 0.423 29.869 29.460 -0.023 0.000 1.266 500 W HN 0.397 nan 8.180 nan 0.000 0.419 501 P HA 0.291 nan 4.420 nan 0.000 0.281 501 P C -2.644 174.871 177.300 0.358 0.000 1.249 501 P CA -1.726 61.601 63.100 0.378 0.000 0.810 501 P CB 1.076 32.905 31.700 0.215 0.000 1.008 502 P HA 0.079 nan 4.420 nan 0.000 0.269 502 P C -0.669 176.620 177.300 -0.017 0.000 1.209 502 P CA 0.220 63.143 63.100 -0.294 0.000 0.776 502 P CB 0.054 31.564 31.700 -0.317 0.000 0.876 503 Y N 2.660 122.895 120.300 -0.109 0.000 2.335 503 Y HA 0.426 4.998 4.550 0.037 0.000 0.331 503 Y C 0.215 176.104 175.900 -0.019 0.000 1.094 503 Y CA 0.398 58.509 58.100 0.019 0.000 1.253 503 Y CB 0.454 38.943 38.460 0.047 0.000 1.203 503 Y HN 0.410 nan 8.280 nan 0.000 0.508 504 T N 0.131 114.384 114.554 -0.502 0.000 2.883 504 T HA 0.252 4.624 4.350 0.038 0.000 0.296 504 T C 0.785 175.238 174.700 -0.412 0.000 1.117 504 T CA -0.212 61.718 62.100 -0.282 0.000 1.006 504 T CB 1.213 69.993 68.868 -0.147 0.000 1.191 504 T HN 0.658 nan 8.240 nan 0.000 0.508 505 T N -0.789 113.673 114.554 -0.153 0.000 2.867 505 T HA 0.052 4.424 4.350 0.038 0.000 0.268 505 T C 2.248 176.892 174.700 -0.094 0.000 1.057 505 T CA 0.957 63.004 62.100 -0.087 0.000 1.136 505 T CB -0.814 68.062 68.868 0.013 0.000 0.874 505 T HN 0.876 nan 8.240 nan 0.000 0.466 506 A N 2.103 124.873 122.820 -0.083 0.000 1.835 506 A HA 0.406 4.749 4.320 0.038 0.000 0.215 506 A C 2.739 180.280 177.584 -0.072 0.000 1.199 506 A CA 1.847 53.850 52.037 -0.056 0.000 0.615 506 A CB -1.351 17.626 19.000 -0.039 0.000 0.838 506 A HN 0.752 nan 8.150 nan 0.000 0.444 507 A N -2.271 120.486 122.820 -0.105 0.000 2.095 507 A HA 0.233 4.576 4.320 0.038 0.000 0.212 507 A C 0.979 178.490 177.584 -0.122 0.000 1.162 507 A CA 0.890 52.875 52.037 -0.087 0.000 0.753 507 A CB -0.322 18.642 19.000 -0.060 0.000 0.840 507 A HN 0.592 nan 8.150 nan 0.000 0.468 508 Q N -0.284 119.330 119.800 -0.310 0.000 2.434 508 Q HA -0.226 4.137 4.340 0.038 0.000 0.299 508 Q C -0.714 175.260 176.000 -0.043 0.000 1.286 508 Q CA 0.675 56.211 55.803 -0.445 0.000 0.872 508 Q CB -1.694 26.983 28.738 -0.101 0.000 1.193 508 Q HN 0.832 nan 8.270 nan 0.000 0.466 509 Q N 0.391 120.171 119.800 -0.033 0.000 2.288 509 Q HA 0.480 4.843 4.340 0.038 0.000 0.254 509 Q C -0.412 175.845 176.000 0.429 0.000 0.932 509 Q CA -0.042 55.856 55.803 0.159 0.000 0.902 509 Q CB 0.618 29.406 28.738 0.082 0.000 1.203 509 Q HN 0.344 nan 8.270 nan 0.000 0.415 510 Y N -1.598 118.832 120.300 0.217 0.000 2.655 510 Y HA 0.720 5.292 4.550 0.036 0.000 0.336 510 Y C -1.099 174.826 175.900 0.042 0.000 1.154 510 Y CA -1.544 56.698 58.100 0.237 0.000 1.055 510 Y CB 0.524 39.130 38.460 0.244 0.000 1.295 510 Y HN 0.351 nan 8.280 nan 0.000 0.465 511 V N -0.374 119.479 119.914 -0.101 0.000 2.815 511 V HA 0.852 4.995 4.120 0.038 0.000 0.314 511 V C -0.236 175.775 176.094 -0.138 0.000 1.064 511 V CA -0.584 61.494 62.300 -0.370 0.000 0.952 511 V CB 1.320 32.631 31.823 -0.854 0.000 1.020 511 V HN 1.178 nan 8.190 nan 0.000 0.439 512 S N 3.654 119.270 115.700 -0.140 0.000 2.475 512 S HA 0.707 5.200 4.470 0.038 0.000 0.281 512 S C -0.515 174.064 174.600 -0.036 0.000 1.198 512 S CA -0.668 57.528 58.200 -0.007 0.000 1.063 512 S CB 0.622 63.806 63.200 -0.028 0.000 0.972 512 S HN 0.756 nan 8.310 nan 0.000 0.486 513 L N 4.847 126.103 121.223 0.056 0.000 2.276 513 L HA 0.559 4.922 4.340 0.038 0.000 0.286 513 L C 0.335 177.157 176.870 -0.080 0.000 1.024 513 L CA -0.358 54.545 54.840 0.105 0.000 0.826 513 L CB 0.180 42.397 42.059 0.264 0.000 1.211 513 L HN 0.974 nan 8.230 nan 0.000 0.422 514 N N 2.398 120.974 118.700 -0.207 0.000 3.378 514 N HA 0.266 5.029 4.740 0.038 0.000 0.294 514 N C 0.379 175.319 175.510 -0.950 0.000 1.544 514 N CA -0.975 51.661 53.050 -0.690 0.000 0.872 514 N CB 1.242 39.498 38.487 -0.387 0.000 1.670 514 N HN 0.200 nan 8.380 nan 0.000 0.551 515 L N -0.143 120.496 121.223 -0.973 0.000 2.131 515 L HA -0.037 4.326 4.340 0.038 0.000 0.210 515 L C 0.926 177.584 176.870 -0.353 0.000 1.092 515 L CA 1.252 55.648 54.840 -0.740 0.000 0.759 515 L CB -0.575 41.140 42.059 -0.573 0.000 0.903 515 L HN 0.390 nan 8.230 nan 0.000 0.435 516 K N 0.151 120.396 120.400 -0.259 0.000 2.168 516 K HA 0.223 4.566 4.320 0.038 0.000 0.258 516 K C -2.132 174.416 176.600 -0.086 0.000 1.010 516 K CA -1.830 54.374 56.287 -0.138 0.000 0.929 516 K CB -0.034 32.400 32.500 -0.110 0.000 0.998 516 K HN -0.177 nan 8.250 nan 0.000 0.479 517 P HA -0.033 nan 4.420 nan 0.000 0.269 517 P C -0.359 176.939 177.300 -0.003 0.000 1.217 517 P CA -0.112 62.992 63.100 0.006 0.000 0.783 517 P CB 0.378 32.084 31.700 0.011 0.000 0.898 518 L N 1.210 122.449 121.223 0.026 0.000 2.593 518 L HA -0.047 4.316 4.340 0.038 0.000 0.287 518 L C 1.072 177.902 176.870 -0.068 0.000 1.243 518 L CA 0.879 55.694 54.840 -0.042 0.000 0.890 518 L CB -0.258 41.769 42.059 -0.055 0.000 1.134 518 L HN 0.501 nan 8.230 nan 0.000 0.502 519 E N 2.936 123.068 120.200 -0.113 0.000 2.199 519 E HA 0.400 4.773 4.350 0.038 0.000 0.265 519 E C -1.404 175.093 176.600 -0.171 0.000 0.882 519 E CA -0.777 55.558 56.400 -0.110 0.000 0.759 519 E CB 1.961 31.604 29.700 -0.095 0.000 1.148 519 E HN 0.299 nan 8.360 nan 0.000 0.412 520 V N 5.068 124.895 119.914 -0.145 0.000 2.498 520 V HA 0.407 4.550 4.120 0.038 0.000 0.279 520 V C 0.332 176.282 176.094 -0.241 0.000 1.048 520 V CA -0.192 61.998 62.300 -0.183 0.000 0.967 520 V CB 0.959 32.732 31.823 -0.082 0.000 0.988 520 V HN 0.692 nan 8.190 nan 0.000 0.473 521 R N 3.887 124.113 120.500 -0.456 0.000 2.892 521 R HA 0.757 5.120 4.340 0.038 0.000 0.265 521 R C -0.861 175.224 176.300 -0.359 0.000 1.025 521 R CA -1.052 54.761 56.100 -0.478 0.000 0.982 521 R CB 2.462 32.325 30.300 -0.728 0.000 1.185 521 R HN 0.586 nan 8.270 nan 0.000 0.484 522 R N -0.137 120.331 120.500 -0.053 0.000 2.621 522 R HA 0.494 4.857 4.340 0.038 0.000 0.292 522 R C -0.830 175.649 176.300 0.299 0.000 0.969 522 R CA -0.509 55.671 56.100 0.133 0.000 0.887 522 R CB 2.250 32.585 30.300 0.059 0.000 1.180 522 R HN 0.893 nan 8.270 nan 0.000 0.450 523 G N 2.176 111.195 108.800 0.365 0.000 3.450 523 G HA2 -0.213 3.770 3.960 0.038 0.000 0.668 523 G HA3 -0.213 3.770 3.960 0.038 0.000 0.668 523 G C -1.157 173.931 174.900 0.313 0.000 0.941 523 G CA -0.882 44.393 45.100 0.291 0.000 0.766 523 G HN 0.384 nan 8.290 nan 0.000 0.451 524 L N 4.236 125.535 121.223 0.128 0.000 2.328 524 L HA 0.567 4.930 4.340 0.038 0.000 0.280 524 L C 1.506 178.394 176.870 0.030 0.000 1.111 524 L CA -0.479 54.287 54.840 -0.124 0.000 0.909 524 L CB -0.124 41.782 42.059 -0.254 0.000 1.277 524 L HN 0.697 nan 8.230 nan 0.000 0.433 525 R N 2.736 123.293 120.500 0.095 0.000 3.416 525 R HA -0.277 4.086 4.340 0.038 0.000 0.263 525 R C 1.347 177.743 176.300 0.161 0.000 1.053 525 R CA 0.725 56.913 56.100 0.146 0.000 0.705 525 R CB -2.288 28.108 30.300 0.159 0.000 1.124 525 R HN 0.772 nan 8.270 nan 0.000 0.444 526 A N 0.684 123.594 122.820 0.151 0.000 1.884 526 A HA -0.288 4.054 4.320 0.038 0.000 0.219 526 A C 2.094 179.770 177.584 0.153 0.000 1.197 526 A CA 1.592 53.717 52.037 0.147 0.000 0.637 526 A CB -0.147 18.934 19.000 0.135 0.000 0.827 526 A HN 0.420 nan 8.150 nan 0.000 0.450 527 Q N -0.896 118.993 119.800 0.150 0.000 2.016 527 Q HA -0.104 4.258 4.340 0.038 0.000 0.200 527 Q C 2.306 178.429 176.000 0.204 0.000 0.978 527 Q CA 2.084 57.980 55.803 0.155 0.000 0.833 527 Q CB -1.260 27.555 28.738 0.129 0.000 0.895 527 Q HN 0.675 nan 8.270 nan 0.000 0.427 528 T N 0.677 115.373 114.554 0.237 0.000 2.746 528 T HA -0.123 4.250 4.350 0.038 0.000 0.267 528 T C 2.030 176.964 174.700 0.389 0.000 1.039 528 T CA 1.217 63.486 62.100 0.282 0.000 1.142 528 T CB -0.299 68.776 68.868 0.347 0.000 0.866 528 T HN 0.313 nan 8.240 nan 0.000 0.444 529 c N 1.517 120.322 118.600 0.342 0.000 2.448 529 c HA 0.239 4.832 4.570 0.038 0.000 0.280 529 c C 3.110 177.364 174.090 0.274 0.000 1.398 529 c CA 0.017 56.555 56.329 0.348 0.000 1.774 529 c CB -1.407 41.234 42.510 0.218 0.000 1.888 529 c HN 0.640 nan 8.230 nan 0.000 0.519 530 A N 0.213 123.165 122.820 0.220 0.000 1.930 530 A HA -0.153 4.190 4.320 0.038 0.000 0.217 530 A C 1.848 179.542 177.584 0.182 0.000 1.175 530 A CA 1.420 53.562 52.037 0.174 0.000 0.627 530 A CB -0.766 18.323 19.000 0.149 0.000 0.815 530 A HN 0.522 nan 8.150 nan 0.000 0.443 531 F N -0.530 119.430 119.950 0.016 0.000 2.065 531 F HA -0.221 4.331 4.527 0.041 0.000 0.298 531 F C 1.960 177.733 175.800 -0.044 0.000 1.112 531 F CA 1.844 59.781 58.000 -0.106 0.000 1.212 531 F CB -0.730 37.958 39.000 -0.520 0.000 0.975 531 F HN 0.389 nan 8.300 nan 0.000 0.476 532 W N 0.557 121.767 121.300 -0.150 0.000 2.381 532 W HA -0.140 4.542 4.660 0.036 0.000 0.301 532 W C 2.219 178.658 176.519 -0.132 0.000 1.205 532 W CA 1.089 58.310 57.345 -0.206 0.000 1.285 532 W CB -0.598 28.879 29.460 0.028 0.000 1.133 532 W HN -0.023 nan 8.180 nan 0.000 0.521 533 N N -0.419 118.396 118.700 0.191 0.000 2.415 533 N HA 0.033 4.796 4.740 0.038 0.000 0.176 533 N C 1.428 176.970 175.510 0.052 0.000 1.042 533 N CA 0.861 53.973 53.050 0.104 0.000 0.902 533 N CB -0.133 38.415 38.487 0.101 0.000 0.986 533 N HN 0.265 nan 8.380 nan 0.000 0.447 534 R N -1.389 119.144 120.500 0.056 0.000 2.167 534 R HA 0.229 4.592 4.340 0.038 0.000 0.195 534 R C 1.392 177.723 176.300 0.051 0.000 1.027 534 R CA -0.050 56.085 56.100 0.058 0.000 1.114 534 R CB -0.182 30.176 30.300 0.096 0.000 1.075 534 R HN 0.021 nan 8.270 nan 0.000 0.538 535 F N 1.761 121.644 119.950 -0.111 0.000 2.123 535 F HA 0.084 4.634 4.527 0.039 0.000 0.289 535 F C 1.850 177.518 175.800 -0.220 0.000 1.099 535 F CA 1.124 59.039 58.000 -0.142 0.000 1.234 535 F CB -0.304 38.630 39.000 -0.109 0.000 1.034 535 F HN -0.152 nan 8.300 nan 0.000 0.479 536 L N 0.418 121.282 121.223 -0.599 0.000 2.043 536 L HA -0.216 4.146 4.340 0.038 0.000 0.212 536 L C -0.447 176.181 176.870 -0.404 0.000 1.075 536 L CA 1.793 56.262 54.840 -0.618 0.000 0.752 536 L CB -2.074 39.673 42.059 -0.520 0.000 0.891 536 L HN 0.163 nan 8.230 nan 0.000 0.432 537 P HA -0.202 nan 4.420 nan 0.000 0.213 537 P C 1.426 178.602 177.300 -0.205 0.000 1.170 537 P CA 1.380 64.382 63.100 -0.163 0.000 0.898 537 P CB -0.031 31.612 31.700 -0.094 0.000 0.787 538 K N -1.074 119.187 120.400 -0.232 0.000 2.173 538 K HA -0.196 4.147 4.320 0.038 0.000 0.207 538 K C 1.917 178.343 176.600 -0.290 0.000 1.046 538 K CA 1.064 57.224 56.287 -0.212 0.000 0.929 538 K CB -0.786 31.619 32.500 -0.158 0.000 0.720 538 K HN 0.047 nan 8.250 nan 0.000 0.453 539 L N 1.188 122.116 121.223 -0.491 0.000 1.988 539 L HA -0.142 4.221 4.340 0.038 0.000 0.207 539 L C 1.870 178.601 176.870 -0.232 0.000 1.071 539 L CA 1.590 56.164 54.840 -0.442 0.000 0.744 539 L CB -0.550 41.145 42.059 -0.607 0.000 0.893 539 L HN 0.104 nan 8.230 nan 0.000 0.433 540 L N -0.286 120.813 121.223 -0.207 0.000 2.131 540 L HA -0.095 4.268 4.340 0.038 0.000 0.210 540 L C 1.395 178.209 176.870 -0.093 0.000 1.092 540 L CA 1.094 55.860 54.840 -0.124 0.000 0.759 540 L CB -0.957 41.040 42.059 -0.104 0.000 0.903 540 L HN 0.494 nan 8.230 nan 0.000 0.435 541 S N -0.667 114.974 115.700 -0.098 0.000 3.983 541 S HA 0.619 5.112 4.470 0.038 0.000 0.194 541 S C 0.420 174.984 174.600 -0.061 0.000 1.464 541 S CA 0.037 58.196 58.200 -0.069 0.000 1.021 541 S CB 0.675 63.838 63.200 -0.062 0.000 1.424 541 S HN 0.384 nan 8.310 nan 0.000 0.473 542 A N 1.210 123.996 122.820 -0.056 0.000 3.556 542 A HA 0.297 4.640 4.320 0.038 0.000 0.182 542 A C 0.748 178.309 177.584 -0.039 0.000 1.301 542 A CA 0.503 52.514 52.037 -0.042 0.000 1.202 542 A CB -1.296 17.678 19.000 -0.043 0.000 0.862 542 A HN 2.047 nan 8.150 nan 0.000 0.409 543 T N 0.000 114.522 114.554 -0.053 0.000 3.816 543 T HA 0.000 4.373 4.350 0.038 0.000 0.228 543 T CA 0.000 62.074 62.100 -0.043 0.000 1.349 543 T CB 0.000 68.845 68.868 -0.039 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658