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 2whr_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 LVGcXXXXXX 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 A 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 0.000 176.627 176.600 0.045 0.000 1.382 4 E CA 0.000 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.719 29.700 0.032 0.000 0.812 5 D N 5.779 126.215 120.400 0.059 0.000 2.339 5 D HA 0.254 4.920 4.640 0.044 0.000 0.241 5 D C -1.677 174.681 176.300 0.095 0.000 1.183 5 D CA -2.265 51.787 54.000 0.087 0.000 0.859 5 D CB 1.593 42.464 40.800 0.118 0.000 1.067 5 D HN 0.217 nan 8.370 nan 0.000 0.484 6 P HA -0.151 nan 4.420 nan 0.000 0.217 6 P C 1.213 178.551 177.300 0.064 0.000 1.148 6 P CA 0.840 63.971 63.100 0.053 0.000 0.828 6 P CB 0.353 32.069 31.700 0.026 0.000 0.783 7 Q N -1.021 118.824 119.800 0.075 0.000 2.291 7 Q HA -0.005 4.361 4.340 0.044 0.000 0.205 7 Q C 1.692 177.823 176.000 0.218 0.000 0.970 7 Q CA 0.975 56.818 55.803 0.066 0.000 0.876 7 Q CB -0.382 28.300 28.738 -0.093 0.000 0.935 7 Q HN 0.385 nan 8.270 nan 0.000 0.455 8 L N -0.262 121.098 121.223 0.228 0.000 2.667 8 L HA 0.232 4.598 4.340 0.044 0.000 0.232 8 L C 0.252 177.323 176.870 0.334 0.000 1.138 8 L CA -0.083 54.920 54.840 0.272 0.000 0.921 8 L CB 0.390 42.524 42.059 0.126 0.000 1.180 8 L HN -0.008 nan 8.230 nan 0.000 0.487 9 L N 1.015 122.365 121.223 0.212 0.000 2.280 9 L HA 0.486 4.852 4.340 0.044 0.000 0.287 9 L C -0.802 176.084 176.870 0.026 0.000 1.023 9 L CA -0.391 54.531 54.840 0.137 0.000 0.819 9 L CB 1.989 44.096 42.059 0.080 0.000 1.212 9 L HN -0.198 nan 8.230 nan 0.000 0.420 10 V N 3.690 123.573 119.914 -0.051 0.000 2.769 10 V HA 0.514 4.661 4.120 0.044 0.000 0.312 10 V C -0.308 175.692 176.094 -0.156 0.000 1.061 10 V CA -0.852 61.279 62.300 -0.282 0.000 0.931 10 V CB 2.223 33.553 31.823 -0.821 0.000 1.010 10 V HN 0.703 nan 8.190 nan 0.000 0.433 11 R N 2.943 123.336 120.500 -0.179 0.000 2.310 11 R HA 0.726 5.092 4.340 0.044 0.000 0.324 11 R C -0.713 175.508 176.300 -0.132 0.000 0.955 11 R CA -0.357 55.683 56.100 -0.101 0.000 0.830 11 R CB 1.572 31.817 30.300 -0.091 0.000 1.154 11 R HN 0.739 nan 8.270 nan 0.000 0.458 12 V N 1.820 121.709 119.914 -0.041 0.000 3.302 12 V HA 0.442 4.588 4.120 0.044 0.000 0.316 12 V C 1.242 177.271 176.094 -0.108 0.000 1.111 12 V CA -0.810 61.463 62.300 -0.044 0.000 1.029 12 V CB 1.528 33.455 31.823 0.173 0.000 1.170 12 V HN 0.847 nan 8.190 nan 0.000 0.452 13 R N 0.790 121.212 120.500 -0.130 0.000 2.159 13 R HA -0.055 4.311 4.340 0.044 0.000 0.237 13 R C 1.941 178.105 176.300 -0.227 0.000 1.131 13 R CA 1.565 57.576 56.100 -0.148 0.000 0.982 13 R CB -0.639 29.591 30.300 -0.117 0.000 0.868 13 R HN 0.977 nan 8.270 nan 0.000 0.453 14 G N -0.572 108.034 108.800 -0.323 0.000 2.838 14 G HA2 0.315 4.302 3.960 0.044 0.000 0.210 14 G HA3 0.315 4.302 3.960 0.044 0.000 0.210 14 G C 0.452 174.381 174.900 -1.620 0.000 1.153 14 G CA 0.486 45.092 45.100 -0.823 0.000 0.778 14 G HN 0.560 nan 8.290 nan 0.000 0.539 15 G N -0.968 107.232 108.800 -1.000 0.000 2.278 15 G HA2 0.080 4.066 3.960 0.044 0.000 0.265 15 G HA3 0.080 4.066 3.960 0.044 0.000 0.265 15 G C -1.271 173.567 174.900 -0.104 0.000 1.329 15 G CA -0.875 43.757 45.100 -0.780 0.000 1.017 15 G HN 0.267 nan 8.290 nan 0.000 0.472 16 Q N -0.341 119.585 119.800 0.209 0.000 2.230 16 Q HA 0.721 5.087 4.340 0.044 0.000 0.253 16 Q C -0.595 175.686 176.000 0.469 0.000 0.919 16 Q CA -0.432 55.545 55.803 0.290 0.000 0.908 16 Q CB 1.990 30.827 28.738 0.164 0.000 1.245 16 Q HN 0.458 nan 8.270 nan 0.000 0.437 17 L N 1.517 122.925 121.223 0.309 0.000 2.370 17 L HA 0.622 4.989 4.340 0.044 0.000 0.266 17 L C -0.490 176.530 176.870 0.250 0.000 1.002 17 L CA -0.792 54.222 54.840 0.289 0.000 0.818 17 L CB 2.242 44.494 42.059 0.321 0.000 1.325 17 L HN 0.437 nan 8.230 nan 0.000 0.418 18 R N 0.765 121.406 120.500 0.235 0.000 2.388 18 R HA 0.585 4.951 4.340 0.044 0.000 0.314 18 R C -0.174 176.250 176.300 0.207 0.000 0.959 18 R CA -0.329 55.900 56.100 0.215 0.000 0.851 18 R CB 1.527 31.893 30.300 0.111 0.000 1.168 18 R HN 0.802 nan 8.270 nan 0.000 0.472 19 G N 3.331 112.275 108.800 0.240 0.000 2.535 19 G HA2 0.380 4.366 3.960 0.044 0.000 0.282 19 G HA3 0.380 4.366 3.960 0.044 0.000 0.282 19 G C -0.788 173.933 174.900 -0.297 0.000 1.350 19 G CA -0.649 44.267 45.100 -0.307 0.000 1.039 19 G HN 0.596 nan 8.290 nan 0.000 0.509 20 I N -1.295 119.018 120.570 -0.428 0.000 2.730 20 I HA 0.543 4.740 4.170 0.044 0.000 0.298 20 I C -0.214 175.729 176.117 -0.290 0.000 1.089 20 I CA -1.217 59.914 61.300 -0.281 0.000 1.041 20 I CB 2.195 40.048 38.000 -0.245 0.000 1.235 20 I HN 0.437 nan 8.210 nan 0.000 0.423 21 R N 7.189 127.549 120.500 -0.234 0.000 2.221 21 R HA 0.586 4.952 4.340 0.044 0.000 0.327 21 R C -1.670 174.498 176.300 -0.220 0.000 1.033 21 R CA -0.418 55.514 56.100 -0.279 0.000 0.887 21 R CB 0.704 30.749 30.300 -0.425 0.000 1.057 21 R HN 0.630 nan 8.270 nan 0.000 0.455 22 L N 3.103 124.223 121.223 -0.171 0.000 2.322 22 L HA 0.503 4.869 4.340 0.044 0.000 0.269 22 L C -0.347 176.458 176.870 -0.108 0.000 1.012 22 L CA -1.263 53.508 54.840 -0.116 0.000 0.815 22 L CB 1.659 43.686 42.059 -0.055 0.000 1.295 22 L HN 0.377 nan 8.230 nan 0.000 0.438 23 K N 1.553 121.897 120.400 -0.092 0.000 2.253 23 K HA 0.601 4.947 4.320 0.044 0.000 0.277 23 K C -0.675 175.879 176.600 -0.077 0.000 1.053 23 K CA -0.091 56.150 56.287 -0.076 0.000 0.892 23 K CB 1.411 33.875 32.500 -0.060 0.000 1.102 23 K HN 0.616 nan 8.250 nan 0.000 0.469 24 A N 5.367 128.146 122.820 -0.068 0.000 2.295 24 A HA 0.502 4.848 4.320 0.044 0.000 0.318 24 A C -1.768 175.829 177.584 0.022 0.000 1.134 24 A CA -1.603 50.394 52.037 -0.067 0.000 0.827 24 A CB 0.455 19.405 19.000 -0.084 0.000 1.136 24 A HN 0.622 nan 8.150 nan 0.000 0.493 25 P HA -0.140 nan 4.420 nan 0.000 0.218 25 P C 1.036 178.371 177.300 0.059 0.000 1.146 25 P CA 2.079 65.231 63.100 0.088 0.000 0.820 25 P CB 0.261 32.040 31.700 0.132 0.000 0.778 26 G N -2.466 106.371 108.800 0.061 0.000 3.575 26 G HA2 0.520 4.506 3.960 0.044 0.000 0.273 26 G HA3 0.520 4.506 3.960 0.044 0.000 0.273 26 G C 0.344 175.269 174.900 0.041 0.000 1.053 26 G CA 0.264 45.392 45.100 0.048 0.000 0.803 26 G HN 0.559 nan 8.290 nan 0.000 0.528 27 G N -0.236 108.583 108.800 0.032 0.000 2.369 27 G HA2 0.342 4.328 3.960 0.044 0.000 0.295 27 G HA3 0.342 4.328 3.960 0.044 0.000 0.295 27 G C -3.546 171.362 174.900 0.014 0.000 1.298 27 G CA -0.728 44.391 45.100 0.031 0.000 0.940 27 G HN 0.090 nan 8.290 nan 0.000 0.536 28 P HA 0.651 nan 4.420 nan 0.000 0.285 28 P C -0.330 177.009 177.300 0.065 0.000 1.269 28 P CA -0.678 62.399 63.100 -0.039 0.000 0.844 28 P CB 1.800 33.391 31.700 -0.180 0.000 1.094 29 V N -2.433 117.504 119.914 0.038 0.000 3.007 29 V HA 0.654 4.801 4.120 0.044 0.000 0.311 29 V C -0.579 175.592 176.094 0.129 0.000 1.120 29 V CA -0.883 61.512 62.300 0.158 0.000 0.980 29 V CB 1.796 33.718 31.823 0.164 0.000 1.033 29 V HN 0.390 nan 8.190 nan 0.000 0.429 30 S N 2.245 118.082 115.700 0.228 0.000 2.465 30 S HA 0.797 5.293 4.470 0.044 0.000 0.279 30 S C 0.159 174.672 174.600 -0.144 0.000 1.201 30 S CA 0.077 58.310 58.200 0.055 0.000 1.053 30 S CB 1.019 64.369 63.200 0.250 0.000 0.953 30 S HN 1.555 nan 8.310 nan 0.000 0.488 31 A N 3.122 125.660 122.820 -0.469 0.000 2.331 31 A HA 0.807 5.153 4.320 0.044 0.000 0.320 31 A C -0.988 176.077 177.584 -0.865 0.000 1.138 31 A CA -0.677 50.982 52.037 -0.631 0.000 0.790 31 A CB 0.348 18.987 19.000 -0.602 0.000 1.206 31 A HN 0.695 nan 8.150 nan 0.000 0.470 32 F N 2.922 122.695 119.950 -0.296 0.000 2.434 32 F HA 0.466 5.019 4.527 0.044 0.000 0.367 32 F C -0.225 175.396 175.800 -0.298 0.000 1.093 32 F CA -0.343 57.563 58.000 -0.158 0.000 1.085 32 F CB 1.163 40.235 39.000 0.121 0.000 1.322 32 F HN 0.344 nan 8.300 nan 0.000 0.452 33 L N 1.779 122.856 121.223 -0.243 0.000 2.331 33 L HA 0.779 5.145 4.340 0.044 0.000 0.275 33 L C 0.995 177.776 176.870 -0.148 0.000 1.022 33 L CA -1.132 53.517 54.840 -0.318 0.000 0.812 33 L CB 1.615 43.277 42.059 -0.662 0.000 1.257 33 L HN 0.806 nan 8.230 nan 0.000 0.435 34 G N 2.385 111.152 108.800 -0.055 0.000 2.221 34 G HA2 -0.249 3.737 3.960 0.044 0.000 0.265 34 G HA3 -0.249 3.737 3.960 0.044 0.000 0.265 34 G C -0.083 174.846 174.900 0.048 0.000 1.041 34 G CA -0.285 44.776 45.100 -0.066 0.000 0.807 34 G HN 0.476 nan 8.290 nan 0.000 0.502 35 I N 1.223 121.841 120.570 0.081 0.000 2.471 35 I HA 0.226 4.422 4.170 0.044 0.000 0.286 35 I C -1.801 174.356 176.117 0.067 0.000 1.079 35 I CA -2.156 59.169 61.300 0.041 0.000 1.398 35 I CB 1.024 38.996 38.000 -0.047 0.000 1.403 35 I HN -0.084 nan 8.210 nan 0.000 0.530 36 P HA 0.064 nan 4.420 nan 0.000 0.276 36 P C -0.130 177.059 177.300 -0.185 0.000 1.243 36 P CA -0.046 62.891 63.100 -0.273 0.000 0.768 36 P CB 0.281 31.840 31.700 -0.235 0.000 0.856 37 F N 1.480 121.233 119.950 -0.329 0.000 2.706 37 F HA 0.735 5.288 4.527 0.044 0.000 0.308 37 F C 0.160 175.926 175.800 -0.058 0.000 1.095 37 F CA -0.669 57.195 58.000 -0.227 0.000 1.244 37 F CB 0.122 38.888 39.000 -0.389 0.000 1.063 37 F HN 0.259 nan 8.300 nan 0.000 0.582 38 A N 0.198 122.716 122.820 -0.504 0.000 2.556 38 A HA 0.577 4.923 4.320 0.044 0.000 0.294 38 A C -0.811 176.605 177.584 -0.279 0.000 1.091 38 A CA -0.805 51.047 52.037 -0.307 0.000 0.704 38 A CB 0.955 19.718 19.000 -0.395 0.000 1.300 38 A HN 0.076 nan 8.150 nan 0.000 0.406 39 E N 1.366 121.484 120.200 -0.137 0.000 2.415 39 E HA 0.197 4.573 4.350 0.044 0.000 0.263 39 E C -2.293 174.207 176.600 -0.168 0.000 0.995 39 E CA -1.261 55.072 56.400 -0.113 0.000 0.915 39 E CB -0.105 29.567 29.700 -0.045 0.000 0.951 39 E HN 0.227 nan 8.360 nan 0.000 0.449 40 P HA -0.020 nan 4.420 nan 0.000 0.258 40 P C -2.268 174.958 177.300 -0.123 0.000 1.172 40 P CA -0.629 62.374 63.100 -0.162 0.000 0.762 40 P CB -0.123 31.518 31.700 -0.099 0.000 0.764 41 P HA 0.030 nan 4.420 nan 0.000 0.218 41 P C -0.428 176.805 177.300 -0.112 0.000 1.793 41 P CA 0.055 63.092 63.100 -0.105 0.000 0.941 41 P CB -0.148 31.491 31.700 -0.101 0.000 1.919 42 V N -2.965 116.890 119.914 -0.099 0.000 2.881 42 V HA 0.934 5.080 4.120 0.044 0.000 0.316 42 V C 0.883 176.929 176.094 -0.080 0.000 1.070 42 V CA 0.097 62.335 62.300 -0.103 0.000 0.976 42 V CB 1.030 32.797 31.823 -0.092 0.000 1.038 42 V HN 0.557 nan 8.190 nan 0.000 0.446 43 G N 3.037 111.789 108.800 -0.081 0.000 2.543 43 G HA2 -0.327 3.659 3.960 0.044 0.000 0.286 43 G HA3 -0.327 3.659 3.960 0.044 0.000 0.286 43 G C 1.238 176.111 174.900 -0.045 0.000 1.153 43 G CA 1.410 46.478 45.100 -0.053 0.000 0.968 43 G HN 2.368 nan 8.290 nan 0.000 0.544 44 S N 0.538 116.225 115.700 -0.021 0.000 2.515 44 S HA 0.068 4.564 4.470 0.044 0.000 0.231 44 S C 2.004 176.603 174.600 -0.003 0.000 0.987 44 S CA 1.583 59.782 58.200 -0.000 0.000 0.936 44 S CB -0.022 63.183 63.200 0.009 0.000 0.766 44 S HN 0.595 nan 8.310 nan 0.000 0.528 45 R N 1.272 121.755 120.500 -0.029 0.000 2.240 45 R HA 0.214 4.580 4.340 0.044 0.000 0.203 45 R C 1.014 177.278 176.300 -0.060 0.000 1.011 45 R CA -0.004 56.078 56.100 -0.030 0.000 1.007 45 R CB -0.609 29.666 30.300 -0.041 0.000 0.911 45 R HN 0.533 nan 8.270 nan 0.000 0.468 46 R N 0.782 121.203 120.500 -0.133 0.000 2.537 46 R HA -0.165 4.201 4.340 0.044 0.000 0.281 46 R C -0.247 175.889 176.300 -0.272 0.000 0.988 46 R CA 0.598 56.501 56.100 -0.329 0.000 1.077 46 R CB 0.036 30.020 30.300 -0.527 0.000 0.932 46 R HN 0.100 nan 8.270 nan 0.000 0.409 47 F N -0.646 119.325 119.950 0.034 0.000 2.748 47 F HA -0.287 4.266 4.527 0.043 0.000 0.370 47 F C 0.036 175.830 175.800 -0.009 0.000 0.620 47 F CA 0.586 58.584 58.000 -0.005 0.000 1.233 47 F CB -1.447 37.541 39.000 -0.020 0.000 1.708 47 F HN 0.451 nan 8.300 nan 0.000 0.298 48 M N 0.806 120.476 119.600 0.116 0.000 2.409 48 M HA 0.419 4.925 4.480 0.044 0.000 0.329 48 M C -1.939 174.390 176.300 0.049 0.000 1.180 48 M CA -1.670 53.677 55.300 0.078 0.000 1.053 48 M CB 0.607 33.240 32.600 0.055 0.000 1.586 48 M HN -0.362 nan 8.290 nan 0.000 0.461 49 P HA 0.115 nan 4.420 nan 0.000 0.266 49 P C -2.429 174.899 177.300 0.047 0.000 1.193 49 P CA -0.480 62.652 63.100 0.053 0.000 0.770 49 P CB -0.536 31.203 31.700 0.065 0.000 0.836 50 P HA 0.194 nan 4.420 nan 0.000 0.272 50 P C -0.620 176.713 177.300 0.055 0.000 1.223 50 P CA 0.102 63.230 63.100 0.047 0.000 0.784 50 P CB 0.704 32.461 31.700 0.094 0.000 0.923 51 E N 1.865 122.084 120.200 0.031 0.000 2.212 51 E HA 0.369 4.745 4.350 0.044 0.000 0.268 51 E C -2.416 174.217 176.600 0.055 0.000 0.902 51 E CA -2.482 53.945 56.400 0.046 0.000 0.779 51 E CB 0.923 30.640 29.700 0.029 0.000 1.172 51 E HN 0.306 nan 8.360 nan 0.000 0.409 52 P HA -0.074 nan 4.420 nan 0.000 0.262 52 P C -0.690 176.677 177.300 0.111 0.000 1.182 52 P CA -0.052 63.127 63.100 0.131 0.000 0.761 52 P CB 0.361 32.140 31.700 0.131 0.000 0.795 53 K N 4.299 124.782 120.400 0.139 0.000 2.484 53 K HA -0.012 4.335 4.320 0.044 0.000 0.280 53 K C 0.076 176.789 176.600 0.188 0.000 1.013 53 K CA 0.478 56.851 56.287 0.144 0.000 1.029 53 K CB 0.108 32.727 32.500 0.198 0.000 0.902 53 K HN 0.285 nan 8.250 nan 0.000 0.481 54 R N 5.105 125.697 120.500 0.154 0.000 2.643 54 R HA 0.144 4.510 4.340 0.044 0.000 0.270 54 R C -1.971 174.455 176.300 0.211 0.000 1.061 54 R CA -1.576 54.608 56.100 0.141 0.000 1.107 54 R CB -0.020 30.343 30.300 0.104 0.000 0.999 54 R HN 0.573 nan 8.270 nan 0.000 0.460 55 P HA -0.073 nan 4.420 nan 0.000 0.269 55 P C -1.232 176.125 177.300 0.094 0.000 1.217 55 P CA 0.106 63.158 63.100 -0.080 0.000 0.783 55 P CB 0.323 31.934 31.700 -0.148 0.000 0.898 56 W N 0.284 121.617 121.300 0.055 0.000 2.950 56 W HA 0.674 5.360 4.660 0.044 0.000 0.340 56 W C -0.623 175.921 176.519 0.041 0.000 1.139 56 W CA -1.000 56.374 57.345 0.048 0.000 1.188 56 W CB 0.124 29.620 29.460 0.060 0.000 1.426 56 W HN 0.388 nan 8.180 nan 0.000 0.531 57 S N 1.842 117.697 115.700 0.258 0.000 2.652 57 S HA 0.794 5.290 4.470 0.044 0.000 0.270 57 S C 0.705 175.450 174.600 0.242 0.000 1.243 57 S CA 0.199 58.493 58.200 0.155 0.000 0.999 57 S CB 0.737 64.001 63.200 0.107 0.000 0.973 57 S HN 2.218 nan 8.310 nan 0.000 0.544 58 G N -0.096 108.797 108.800 0.154 0.000 2.575 58 G HA2 -0.180 3.806 3.960 0.044 0.000 0.267 58 G HA3 -0.180 3.806 3.960 0.044 0.000 0.267 58 G C -0.593 174.442 174.900 0.225 0.000 1.264 58 G CA -0.171 45.021 45.100 0.155 0.000 0.935 58 G HN 1.668 nan 8.290 nan 0.000 0.568 59 V N 0.904 120.928 119.914 0.183 0.000 2.334 59 V HA 0.494 4.640 4.120 0.044 0.000 0.281 59 V C 0.403 176.586 176.094 0.148 0.000 1.016 59 V CA -0.538 61.878 62.300 0.193 0.000 0.832 59 V CB 1.178 33.076 31.823 0.125 0.000 0.999 59 V HN 0.822 nan 8.190 nan 0.000 0.439 60 L N 4.761 126.077 121.223 0.156 0.000 2.410 60 L HA 0.327 4.693 4.340 0.044 0.000 0.273 60 L C 0.328 177.183 176.870 -0.025 0.000 1.144 60 L CA 0.149 54.943 54.840 -0.076 0.000 0.863 60 L CB 0.700 42.461 42.059 -0.495 0.000 1.140 60 L HN 0.776 nan 8.230 nan 0.000 0.463 61 D N 4.269 124.637 120.400 -0.054 0.000 2.346 61 D HA 0.342 5.008 4.640 0.044 0.000 0.260 61 D C -0.080 176.185 176.300 -0.057 0.000 1.252 61 D CA 0.367 54.343 54.000 -0.040 0.000 0.895 61 D CB 0.787 41.552 40.800 -0.058 0.000 1.097 61 D HN 0.680 nan 8.370 nan 0.000 0.489 62 A N 3.418 126.236 122.820 -0.003 0.000 3.154 62 A HA 0.284 4.630 4.320 0.044 0.000 0.310 62 A C 0.943 178.478 177.584 -0.082 0.000 1.093 62 A CA -0.243 51.795 52.037 0.003 0.000 1.006 62 A CB -0.221 18.887 19.000 0.180 0.000 1.084 62 A HN 0.597 nan 8.150 nan 0.000 0.549 63 T N -4.075 110.394 114.554 -0.142 0.000 3.040 63 T HA 0.341 4.717 4.350 0.044 0.000 0.266 63 T C 0.424 174.968 174.700 -0.260 0.000 1.005 63 T CA 0.541 62.520 62.100 -0.203 0.000 0.906 63 T CB 0.217 68.996 68.868 -0.149 0.000 1.082 63 T HN 0.390 nan 8.240 nan 0.000 0.531 64 T N 0.453 114.849 114.554 -0.264 0.000 2.894 64 T HA 0.597 4.973 4.350 0.044 0.000 0.309 64 T C -1.598 172.941 174.700 -0.269 0.000 1.208 64 T CA -0.738 61.196 62.100 -0.276 0.000 1.016 64 T CB 0.785 69.557 68.868 -0.161 0.000 1.192 64 T HN 0.065 nan 8.240 nan 0.000 0.491 65 F N 3.105 122.981 119.950 -0.122 0.000 2.518 65 F HA 0.331 4.884 4.527 0.044 0.000 0.359 65 F C 1.428 177.122 175.800 -0.177 0.000 1.118 65 F CA -0.056 57.871 58.000 -0.121 0.000 1.287 65 F CB 0.601 39.557 39.000 -0.073 0.000 1.132 65 F HN 0.433 nan 8.300 nan 0.000 0.587 66 Q N 1.508 121.307 119.800 -0.002 0.000 2.189 66 Q HA 0.192 4.558 4.340 0.044 0.000 0.193 66 Q C -0.136 175.786 176.000 -0.130 0.000 1.034 66 Q CA -0.647 54.999 55.803 -0.261 0.000 1.062 66 Q CB 0.518 28.795 28.738 -0.768 0.000 1.118 66 Q HN 0.508 nan 8.270 nan 0.000 0.569 67 N N -0.250 118.351 118.700 -0.165 0.000 2.441 67 N HA 0.038 4.805 4.740 0.044 0.000 0.251 67 N C -0.616 174.872 175.510 -0.037 0.000 1.242 67 N CA 0.047 53.051 53.050 -0.076 0.000 0.898 67 N CB 0.438 38.894 38.487 -0.053 0.000 1.100 67 N HN 0.170 nan 8.380 nan 0.000 0.443 68 V N 1.841 121.712 119.914 -0.072 0.000 2.555 68 V HA 0.027 4.173 4.120 0.044 0.000 0.286 68 V C 0.731 176.780 176.094 -0.074 0.000 1.044 68 V CA -0.786 61.456 62.300 -0.097 0.000 1.026 68 V CB 0.550 32.279 31.823 -0.158 0.000 0.981 68 V HN 0.695 nan 8.190 nan 0.000 0.480 69 c N 5.035 123.603 118.600 -0.054 0.000 2.563 69 c HA 0.014 4.610 4.570 0.044 0.000 0.411 69 c C 0.592 174.640 174.090 -0.069 0.000 1.386 69 c CA -0.437 55.866 56.329 -0.044 0.000 1.703 69 c CB -1.184 41.321 42.510 -0.010 0.000 2.596 69 c HN 0.749 nan 8.230 nan 0.000 0.605 70 Y N 4.478 124.635 120.300 -0.237 0.000 2.729 70 Y HA 0.229 4.806 4.550 0.044 0.000 0.331 70 Y C 0.743 176.644 175.900 0.001 0.000 1.208 70 Y CA 1.056 59.014 58.100 -0.237 0.000 1.521 70 Y CB 0.080 38.200 38.460 -0.568 0.000 1.233 70 Y HN 0.748 nan 8.280 nan 0.000 0.539 71 Q N 4.542 124.213 119.800 -0.214 0.000 2.522 71 Q HA 0.225 4.592 4.340 0.044 0.000 0.285 71 Q C -1.705 174.320 176.000 0.040 0.000 0.982 71 Q CA -1.195 54.655 55.803 0.078 0.000 0.805 71 Q CB 1.232 30.003 28.738 0.055 0.000 1.457 71 Q HN 0.665 nan 8.270 nan 0.000 0.394 72 Y N 1.089 121.462 120.300 0.122 0.000 2.683 72 Y HA 0.295 4.871 4.550 0.043 0.000 0.340 72 Y C -0.959 174.989 175.900 0.080 0.000 1.245 72 Y CA 0.470 58.637 58.100 0.111 0.000 1.485 72 Y CB 0.842 39.380 38.460 0.130 0.000 1.328 72 Y HN 0.444 nan 8.280 nan 0.000 0.603 73 V N 6.188 125.658 119.914 -0.739 0.000 2.487 73 V HA 0.113 4.259 4.120 0.044 0.000 0.298 73 V C -0.685 174.994 176.094 -0.692 0.000 1.028 73 V CA -1.090 60.911 62.300 -0.499 0.000 0.860 73 V CB 1.574 33.222 31.823 -0.292 0.000 0.991 73 V HN 0.798 nan 8.190 nan 0.000 0.427 74 D N 2.856 123.139 120.400 -0.196 0.000 2.455 74 D HA 0.201 4.867 4.640 0.044 0.000 0.241 74 D C 1.121 177.477 176.300 0.094 0.000 1.138 74 D CA 0.917 54.982 54.000 0.108 0.000 0.877 74 D CB 1.240 42.252 40.800 0.353 0.000 1.187 74 D HN 0.799 nan 8.370 nan 0.000 0.451 75 T N 0.765 115.432 114.554 0.189 0.000 3.004 75 T HA 0.002 4.379 4.350 0.044 0.000 0.266 75 T C 1.602 176.375 174.700 0.120 0.000 0.986 75 T CA -0.425 61.754 62.100 0.131 0.000 0.902 75 T CB -0.069 68.869 68.868 0.116 0.000 1.118 75 T HN 0.273 nan 8.240 nan 0.000 0.522 76 L N 1.212 122.526 121.223 0.152 0.000 1.990 76 L HA 0.065 4.431 4.340 0.044 0.000 0.213 76 L C -0.055 176.589 176.870 -0.376 0.000 1.072 76 L CA 1.716 56.465 54.840 -0.152 0.000 0.755 76 L CB -0.695 41.192 42.059 -0.286 0.000 0.889 76 L HN 0.434 nan 8.230 nan 0.000 0.432 77 Y N -0.110 120.271 120.300 0.134 0.000 2.748 77 Y HA 0.433 5.009 4.550 0.044 0.000 0.359 77 Y C -2.184 173.788 175.900 0.120 0.000 1.030 77 Y CA -3.459 54.685 58.100 0.073 0.000 1.169 77 Y CB -0.289 38.165 38.460 -0.010 0.000 1.127 77 Y HN 0.114 nan 8.280 nan 0.000 0.644 78 P HA 0.087 nan 4.420 nan 0.000 0.261 78 P C 1.063 178.438 177.300 0.125 0.000 1.183 78 P CA 1.560 64.736 63.100 0.127 0.000 0.761 78 P CB 0.730 32.475 31.700 0.076 0.000 0.785 79 G N 2.529 111.386 108.800 0.096 0.000 2.199 79 G HA2 -0.294 3.693 3.960 0.044 0.000 0.254 79 G HA3 -0.294 3.693 3.960 0.044 0.000 0.254 79 G C 0.004 174.950 174.900 0.077 0.000 0.982 79 G CA -0.365 44.770 45.100 0.058 0.000 0.632 79 G HN 0.548 nan 8.290 nan 0.000 0.529 80 F N 2.313 122.238 119.950 -0.042 0.000 2.472 80 F HA 0.586 5.139 4.527 0.043 0.000 0.364 80 F C 1.388 177.096 175.800 -0.154 0.000 1.090 80 F CA -0.436 57.484 58.000 -0.133 0.000 1.188 80 F CB 1.294 40.185 39.000 -0.181 0.000 1.105 80 F HN 0.163 nan 8.300 nan 0.000 0.536 81 E N 4.166 123.913 120.200 -0.756 0.000 2.118 81 E HA -0.107 4.270 4.350 0.044 0.000 0.195 81 E C 2.227 178.280 176.600 -0.913 0.000 0.992 81 E CA 1.952 57.930 56.400 -0.703 0.000 0.804 81 E CB -0.572 28.803 29.700 -0.542 0.000 0.741 81 E HN 0.902 nan 8.360 nan 0.000 0.458 82 G N -0.811 106.841 108.800 -1.912 0.000 2.442 82 G HA2 -0.324 3.663 3.960 0.044 0.000 0.219 82 G HA3 -0.324 3.663 3.960 0.044 0.000 0.219 82 G C 1.718 176.595 174.900 -0.039 0.000 1.141 82 G CA 1.795 46.156 45.100 -1.232 0.000 0.763 82 G HN 0.501 nan 8.290 nan 0.000 0.554 83 T N -2.332 112.214 114.554 -0.013 0.000 3.040 83 T HA 0.175 4.551 4.350 0.044 0.000 0.252 83 T C 1.893 176.775 174.700 0.303 0.000 1.064 83 T CA 0.737 63.174 62.100 0.561 0.000 1.110 83 T CB 0.165 69.447 68.868 0.691 0.000 0.921 83 T HN 0.121 nan 8.240 nan 0.000 0.480 84 E N 2.258 122.471 120.200 0.022 0.000 2.150 84 E HA -0.042 4.334 4.350 0.044 0.000 0.193 84 E C 2.214 178.719 176.600 -0.157 0.000 0.985 84 E CA 1.154 57.527 56.400 -0.045 0.000 0.814 84 E CB -0.451 29.186 29.700 -0.105 0.000 0.752 84 E HN 0.797 nan 8.360 nan 0.000 0.466 85 M N -2.340 117.066 119.600 -0.324 0.000 2.446 85 M HA -0.077 4.430 4.480 0.044 0.000 0.263 85 M C 1.248 177.133 176.300 -0.691 0.000 1.066 85 M CA 1.404 56.358 55.300 -0.577 0.000 1.087 85 M CB -0.553 31.580 32.600 -0.779 0.000 1.406 85 M HN 0.003 nan 8.290 nan 0.000 0.459 86 W N 0.666 121.899 121.300 -0.112 0.000 3.013 86 W HA 0.287 4.973 4.660 0.043 0.000 0.280 86 W C 0.605 177.028 176.519 -0.161 0.000 1.249 86 W CA -0.935 56.318 57.345 -0.153 0.000 1.577 86 W CB -0.072 29.338 29.460 -0.084 0.000 1.057 86 W HN 0.079 nan 8.180 nan 0.000 0.613 87 N N 1.687 120.410 118.700 0.038 0.000 2.444 87 N HA 0.102 4.868 4.740 0.044 0.000 0.255 87 N C -2.441 172.998 175.510 -0.118 0.000 1.255 87 N CA -1.101 51.931 53.050 -0.029 0.000 0.933 87 N CB -0.117 38.354 38.487 -0.026 0.000 1.143 87 N HN -0.346 nan 8.380 nan 0.000 0.453 88 P HA 0.043 nan 4.420 nan 0.000 0.264 88 P C 0.210 177.413 177.300 -0.163 0.000 1.193 88 P CA 0.048 63.045 63.100 -0.172 0.000 0.763 88 P CB 0.236 31.832 31.700 -0.173 0.000 0.810 89 N N 2.498 121.086 118.700 -0.186 0.000 2.214 89 N HA 0.078 4.844 4.740 0.044 0.000 0.214 89 N C 0.180 175.611 175.510 -0.133 0.000 1.132 89 N CA 0.002 52.953 53.050 -0.164 0.000 0.856 89 N CB 0.306 38.675 38.487 -0.196 0.000 1.020 89 N HN 0.134 nan 8.380 nan 0.000 0.509 90 R N 0.108 120.528 120.500 -0.133 0.000 2.869 90 R HA 0.359 4.725 4.340 0.044 0.000 0.263 90 R C -0.237 176.006 176.300 -0.095 0.000 1.066 90 R CA -0.641 55.400 56.100 -0.098 0.000 0.960 90 R CB 0.597 30.843 30.300 -0.090 0.000 1.221 90 R HN 0.111 nan 8.270 nan 0.000 0.474 91 E N 1.584 121.740 120.200 -0.073 0.000 2.413 91 E HA 0.091 4.467 4.350 0.044 0.000 0.263 91 E C 0.001 176.561 176.600 -0.066 0.000 1.015 91 E CA 0.036 56.399 56.400 -0.062 0.000 0.916 91 E CB 0.521 30.196 29.700 -0.042 0.000 0.947 91 E HN 0.268 nan 8.360 nan 0.000 0.440 92 L N 1.840 123.022 121.223 -0.069 0.000 2.397 92 L HA 0.212 4.578 4.340 0.044 0.000 0.271 92 L C 0.725 177.650 176.870 0.090 0.000 1.148 92 L CA 0.110 54.906 54.840 -0.073 0.000 0.825 92 L CB 0.712 42.590 42.059 -0.301 0.000 1.117 92 L HN 0.406 nan 8.230 nan 0.000 0.456 93 S N 0.844 116.605 115.700 0.101 0.000 2.558 93 S HA 0.183 4.679 4.470 0.044 0.000 0.277 93 S C 0.124 174.706 174.600 -0.029 0.000 1.143 93 S CA -0.685 57.555 58.200 0.066 0.000 0.865 93 S CB 1.536 64.742 63.200 0.011 0.000 1.102 93 S HN 0.743 nan 8.310 nan 0.000 0.454 94 E N 0.956 121.064 120.200 -0.153 0.000 2.274 94 E HA -0.044 4.332 4.350 0.044 0.000 0.194 94 E C -0.278 176.242 176.600 -0.134 0.000 0.996 94 E CA 0.474 56.726 56.400 -0.246 0.000 0.840 94 E CB 0.101 29.590 29.700 -0.351 0.000 0.772 94 E HN 0.557 nan 8.360 nan 0.000 0.491 95 D N 0.404 120.762 120.400 -0.070 0.000 2.435 95 D HA -0.011 4.655 4.640 0.044 0.000 0.230 95 D C 0.022 176.390 176.300 0.113 0.000 1.215 95 D CA -0.254 53.741 54.000 -0.008 0.000 0.947 95 D CB 0.030 40.843 40.800 0.021 0.000 1.048 95 D HN 0.156 nan 8.370 nan 0.000 0.512 96 c N 2.535 121.172 118.600 0.062 0.000 3.935 96 c HA 0.346 4.942 4.570 0.044 0.000 0.301 96 c C 0.567 174.708 174.090 0.085 0.000 1.874 96 c CA -0.668 55.764 56.329 0.173 0.000 1.723 96 c CB -1.232 41.315 42.510 0.061 0.000 3.192 96 c HN 0.443 nan 8.230 nan 0.000 0.577 97 L N 2.551 123.559 121.223 -0.359 0.000 2.395 97 L HA 0.407 4.773 4.340 0.044 0.000 0.268 97 L C -0.909 175.268 176.870 -1.154 0.000 1.223 97 L CA 0.508 54.901 54.840 -0.746 0.000 1.093 97 L CB -0.698 40.782 42.059 -0.964 0.000 1.349 97 L HN 0.395 nan 8.230 nan 0.000 0.427 98 Y N 1.790 122.004 120.300 -0.143 0.000 2.576 98 Y HA 0.652 5.229 4.550 0.043 0.000 0.346 98 Y C -0.060 176.023 175.900 0.306 0.000 1.018 98 Y CA -1.262 56.852 58.100 0.024 0.000 1.050 98 Y CB 1.978 40.423 38.460 -0.024 0.000 1.280 98 Y HN 0.191 nan 8.280 nan 0.000 0.474 99 L N -0.297 121.117 121.223 0.317 0.000 2.283 99 L HA 0.777 5.143 4.340 0.044 0.000 0.259 99 L C -1.231 175.670 176.870 0.051 0.000 1.027 99 L CA -1.168 53.755 54.840 0.138 0.000 0.828 99 L CB 1.573 43.551 42.059 -0.135 0.000 1.380 99 L HN 0.460 nan 8.230 nan 0.000 0.425 100 N N -0.032 118.710 118.700 0.070 0.000 2.269 100 N HA 0.742 5.508 4.740 0.044 0.000 0.304 100 N C -1.509 173.963 175.510 -0.063 0.000 1.072 100 N CA -0.415 52.606 53.050 -0.048 0.000 0.802 100 N CB 2.838 41.330 38.487 0.008 0.000 1.348 100 N HN 0.502 nan 8.380 nan 0.000 0.484 101 V N 1.482 121.276 119.914 -0.199 0.000 2.577 101 V HA 0.455 4.602 4.120 0.044 0.000 0.303 101 V C -0.917 175.163 176.094 -0.024 0.000 1.042 101 V CA -0.783 61.501 62.300 -0.027 0.000 0.872 101 V CB 2.283 33.992 31.823 -0.189 0.000 0.998 101 V HN 0.550 nan 8.190 nan 0.000 0.423 102 W N 2.985 124.405 121.300 0.201 0.000 2.632 102 W HA 0.674 5.361 4.660 0.044 0.000 0.328 102 W C 0.193 176.841 176.519 0.215 0.000 1.044 102 W CA -0.424 57.034 57.345 0.189 0.000 1.225 102 W CB 2.479 32.019 29.460 0.133 0.000 1.396 102 W HN 0.661 nan 8.180 nan 0.000 0.499 103 T N 0.083 114.906 114.554 0.448 0.000 2.887 103 T HA 0.568 4.944 4.350 0.044 0.000 0.292 103 T C -2.812 172.065 174.700 0.295 0.000 1.087 103 T CA -2.538 59.776 62.100 0.358 0.000 1.009 103 T CB 2.210 71.312 68.868 0.390 0.000 1.203 103 T HN -0.081 nan 8.240 nan 0.000 0.518 104 P HA 0.188 nan 4.420 nan 0.000 0.268 104 P C -1.554 175.876 177.300 0.217 0.000 1.208 104 P CA -0.145 63.068 63.100 0.189 0.000 0.777 104 P CB 0.050 31.828 31.700 0.131 0.000 0.875 105 Y N 3.590 123.945 120.300 0.091 0.000 2.356 105 Y HA 0.433 5.009 4.550 0.044 0.000 0.334 105 Y C -2.296 173.639 175.900 0.058 0.000 0.958 105 Y CA -2.362 55.782 58.100 0.074 0.000 1.196 105 Y CB 0.697 39.185 38.460 0.048 0.000 1.137 105 Y HN 0.356 nan 8.280 nan 0.000 0.485 106 P HA 0.294 nan 4.420 nan 0.000 0.279 106 P C -1.018 176.200 177.300 -0.138 0.000 1.276 106 P CA -0.843 61.959 63.100 -0.495 0.000 0.801 106 P CB 0.706 32.170 31.700 -0.392 0.000 1.127 107 R N 0.883 121.329 120.500 -0.089 0.000 2.523 107 R HA 0.040 4.406 4.340 0.044 0.000 0.281 107 R C -1.876 174.438 176.300 0.024 0.000 0.969 107 R CA -0.672 55.448 56.100 0.034 0.000 1.093 107 R CB -0.925 29.393 30.300 0.031 0.000 0.917 107 R HN 0.361 nan 8.270 nan 0.000 0.408 108 P HA -0.112 nan 4.420 nan 0.000 0.263 108 P C -0.497 176.819 177.300 0.027 0.000 1.175 108 P CA 0.482 63.612 63.100 0.050 0.000 0.761 108 P CB 0.806 32.550 31.700 0.073 0.000 0.794 109 A N 2.630 125.459 122.820 0.016 0.000 1.968 109 A HA 0.019 4.366 4.320 0.044 0.000 0.217 109 A C 0.879 178.468 177.584 0.007 0.000 1.169 109 A CA 1.430 53.470 52.037 0.005 0.000 0.638 109 A CB -0.505 18.496 19.000 0.002 0.000 0.812 109 A HN 0.619 nan 8.150 nan 0.000 0.446 110 S N -1.340 114.369 115.700 0.014 0.000 2.638 110 S HA 0.623 5.119 4.470 0.044 0.000 0.302 110 S C -3.231 171.382 174.600 0.021 0.000 1.096 110 S CA -1.965 56.242 58.200 0.012 0.000 0.953 110 S CB 1.142 64.347 63.200 0.007 0.000 1.107 110 S HN -0.031 nan 8.310 nan 0.000 0.503 111 P HA 0.181 nan 4.420 nan 0.000 0.258 111 P C -0.711 176.605 177.300 0.026 0.000 1.187 111 P CA 0.419 63.533 63.100 0.023 0.000 0.767 111 P CB -0.093 31.612 31.700 0.009 0.000 0.770 112 T N 6.017 120.598 114.554 0.046 0.000 2.824 112 T HA 0.394 4.770 4.350 0.044 0.000 0.280 112 T C -2.415 172.316 174.700 0.052 0.000 0.995 112 T CA -1.955 60.174 62.100 0.049 0.000 1.009 112 T CB 0.826 69.736 68.868 0.071 0.000 0.955 112 T HN 0.117 nan 8.240 nan 0.000 0.452 113 P HA 0.098 nan 4.420 nan 0.000 0.264 113 P C -0.830 176.511 177.300 0.069 0.000 1.183 113 P CA -0.124 62.996 63.100 0.033 0.000 0.763 113 P CB 0.331 32.034 31.700 0.004 0.000 0.807 114 V N 5.067 125.038 119.914 0.094 0.000 2.435 114 V HA 0.304 4.450 4.120 0.044 0.000 0.290 114 V C 0.228 176.405 176.094 0.140 0.000 1.030 114 V CA -0.492 61.886 62.300 0.130 0.000 0.881 114 V CB 1.248 33.160 31.823 0.149 0.000 0.983 114 V HN 0.281 nan 8.190 nan 0.000 0.445 115 L N 5.731 127.050 121.223 0.160 0.000 2.322 115 L HA 0.579 4.946 4.340 0.044 0.000 0.281 115 L C -0.309 176.797 176.870 0.393 0.000 1.014 115 L CA 0.059 55.016 54.840 0.196 0.000 0.815 115 L CB 1.570 43.621 42.059 -0.012 0.000 1.247 115 L HN 0.461 nan 8.230 nan 0.000 0.421 116 I N 2.536 123.384 120.570 0.463 0.000 2.382 116 I HA 0.184 4.380 4.170 0.044 0.000 0.285 116 I C -0.775 175.615 176.117 0.454 0.000 1.007 116 I CA -0.492 61.051 61.300 0.405 0.000 1.142 116 I CB 1.100 39.208 38.000 0.180 0.000 1.289 116 I HN 0.653 nan 8.210 nan 0.000 0.453 117 W N 8.629 130.039 121.300 0.183 0.000 2.287 117 W HA 0.506 5.192 4.660 0.043 0.000 0.313 117 W C -1.406 175.001 176.519 -0.186 0.000 1.267 117 W CA -0.448 56.739 57.345 -0.263 0.000 1.201 117 W CB 1.060 30.413 29.460 -0.178 0.000 1.196 117 W HN 0.367 nan 8.180 nan 0.000 0.536 118 I N 9.280 129.171 120.570 -1.133 0.000 2.382 118 I HA 0.080 4.276 4.170 0.044 0.000 0.285 118 I C -0.234 175.066 176.117 -1.362 0.000 1.007 118 I CA -1.133 59.583 61.300 -0.973 0.000 1.142 118 I CB 0.634 38.240 38.000 -0.657 0.000 1.289 118 I HN 0.300 nan 8.210 nan 0.000 0.453 119 Y N 4.516 124.346 120.300 -0.782 0.000 2.357 119 Y HA 0.702 5.278 4.550 0.043 0.000 0.340 119 Y C 0.763 176.477 175.900 -0.311 0.000 1.260 119 Y CA -0.769 57.009 58.100 -0.538 0.000 1.425 119 Y CB -0.022 38.366 38.460 -0.120 0.000 1.326 119 Y HN 0.525 nan 8.280 nan 0.000 0.580 120 G N -1.047 107.742 108.800 -0.018 0.000 2.671 120 G HA2 0.496 4.483 3.960 0.044 0.000 0.275 120 G HA3 0.496 4.483 3.960 0.044 0.000 0.275 120 G C 0.215 175.006 174.900 -0.181 0.000 1.368 120 G CA -0.952 44.036 45.100 -0.186 0.000 1.044 120 G HN 1.708 nan 8.290 nan 0.000 0.543 121 G N -2.811 105.695 108.800 -0.490 0.000 2.223 121 G HA2 0.411 4.398 3.960 0.044 0.000 0.200 121 G HA3 0.411 4.398 3.960 0.044 0.000 0.200 121 G C 1.029 175.256 174.900 -1.121 0.000 1.061 121 G CA 0.718 45.388 45.100 -0.718 0.000 0.790 121 G HN 2.320 nan 8.290 nan 0.000 0.498 122 G N -0.517 107.620 108.800 -1.105 0.000 2.187 122 G HA2 -0.140 3.847 3.960 0.044 0.000 0.261 122 G HA3 -0.140 3.847 3.960 0.044 0.000 0.261 122 G C 0.920 175.445 174.900 -0.625 0.000 1.000 122 G CA 0.826 45.026 45.100 -1.500 0.000 0.718 122 G HN 1.769 nan 8.290 nan 0.000 0.519 123 F N -3.411 116.318 119.950 -0.370 0.000 2.871 123 F HA -0.315 4.238 4.527 0.044 0.000 0.326 123 F C 1.454 177.309 175.800 0.092 0.000 0.675 123 F CA 2.223 60.164 58.000 -0.098 0.000 1.188 123 F CB -2.042 36.775 39.000 -0.304 0.000 1.567 123 F HN 0.917 nan 8.300 nan 0.000 0.325 124 Y N -1.272 119.071 120.300 0.073 0.000 2.426 124 Y HA 0.650 5.226 4.550 0.043 0.000 0.249 124 Y C 0.635 176.582 175.900 0.078 0.000 1.103 124 Y CA 0.236 58.406 58.100 0.116 0.000 1.256 124 Y CB -0.047 38.423 38.460 0.017 0.000 1.208 124 Y HN 0.074 nan 8.280 nan 0.000 0.519 125 S N -0.704 114.700 115.700 -0.493 0.000 2.752 125 S HA 0.900 5.397 4.470 0.044 0.000 0.284 125 S C -0.136 174.281 174.600 -0.304 0.000 1.189 125 S CA -0.526 57.473 58.200 -0.336 0.000 0.835 125 S CB 1.544 64.499 63.200 -0.408 0.000 1.192 125 S HN 1.353 nan 8.310 nan 0.000 0.506 126 G N -0.780 107.826 108.800 -0.324 0.000 2.459 126 G HA2 0.544 4.530 3.960 0.044 0.000 0.685 126 G HA3 0.544 4.530 3.960 0.044 0.000 0.685 126 G C -0.720 173.585 174.900 -0.992 0.000 1.303 126 G CA -0.192 44.583 45.100 -0.541 0.000 0.907 126 G HN 2.157 nan 8.290 nan 0.000 0.632 127 A N -0.887 121.201 122.820 -1.220 0.000 2.594 127 A HA 0.994 5.341 4.320 0.044 0.000 0.296 127 A C 0.575 177.878 177.584 -0.468 0.000 1.061 127 A CA 0.561 52.063 52.037 -0.892 0.000 0.689 127 A CB 1.013 19.756 19.000 -0.430 0.000 1.280 127 A HN 2.585 nan 8.150 nan 0.000 0.406 128 A N 0.569 123.349 122.820 -0.067 0.000 2.235 128 A HA 0.264 4.610 4.320 0.044 0.000 0.208 128 A C 1.638 179.249 177.584 0.044 0.000 1.172 128 A CA 1.705 53.923 52.037 0.301 0.000 0.786 128 A CB -0.552 18.714 19.000 0.444 0.000 0.804 128 A HN 1.807 nan 8.150 nan 0.000 0.479 129 S N -0.636 114.849 115.700 -0.358 0.000 2.556 129 S HA 0.334 4.830 4.470 0.044 0.000 0.216 129 S C 0.499 174.667 174.600 -0.719 0.000 0.970 129 S CA -0.478 57.075 58.200 -1.078 0.000 0.912 129 S CB -0.537 61.933 63.200 -1.216 0.000 0.790 129 S HN 0.374 nan 8.310 nan 0.000 0.504 130 L N 2.196 123.141 121.223 -0.462 0.000 2.483 130 L HA 0.136 4.502 4.340 0.044 0.000 0.275 130 L C 1.185 177.729 176.870 -0.543 0.000 1.220 130 L CA -0.390 54.115 54.840 -0.558 0.000 0.833 130 L CB 0.204 41.777 42.059 -0.809 0.000 1.102 130 L HN 0.109 nan 8.230 nan 0.000 0.490 131 D N 0.959 121.075 120.400 -0.473 0.000 2.144 131 D HA -0.131 4.535 4.640 0.044 0.000 0.199 131 D C 1.988 178.019 176.300 -0.448 0.000 0.984 131 D CA 1.271 55.062 54.000 -0.348 0.000 0.834 131 D CB -0.033 40.603 40.800 -0.274 0.000 0.955 131 D HN 0.524 nan 8.370 nan 0.000 0.465 132 V N -1.127 118.371 119.914 -0.693 0.000 3.078 132 V HA -0.161 3.985 4.120 0.044 0.000 0.265 132 V C 1.062 176.593 176.094 -0.940 0.000 1.122 132 V CA 1.039 62.907 62.300 -0.721 0.000 1.141 132 V CB -1.195 30.164 31.823 -0.773 0.000 0.735 132 V HN 0.068 nan 8.190 nan 0.000 0.498 133 Y N 0.066 119.793 120.300 -0.955 0.000 2.607 133 Y HA 0.454 5.030 4.550 0.043 0.000 0.266 133 Y C 0.811 176.139 175.900 -0.953 0.000 1.178 133 Y CA -2.052 55.082 58.100 -1.610 0.000 1.226 133 Y CB -0.813 37.045 38.460 -1.004 0.000 1.144 133 Y HN 0.223 nan 8.280 nan 0.000 0.528 134 D N 0.983 121.115 120.400 -0.447 0.000 2.412 134 D HA 0.037 4.703 4.640 0.044 0.000 0.257 134 D C 1.339 177.373 176.300 -0.444 0.000 1.217 134 D CA 0.508 54.321 54.000 -0.311 0.000 0.897 134 D CB 1.265 42.002 40.800 -0.104 0.000 1.132 134 D HN 0.482 nan 8.370 nan 0.000 0.493 135 G N 4.117 112.096 108.800 -1.368 0.000 3.088 135 G HA2 -0.136 3.850 3.960 0.044 0.000 0.212 135 G HA3 -0.136 3.850 3.960 0.044 0.000 0.212 135 G C 1.490 175.760 174.900 -1.049 0.000 1.173 135 G CA -0.068 44.318 45.100 -1.191 0.000 0.779 135 G HN 0.587 nan 8.290 nan 0.000 0.540 136 R N -0.433 119.425 120.500 -1.069 0.000 2.092 136 R HA 0.006 4.372 4.340 0.044 0.000 0.231 136 R C 1.617 177.663 176.300 -0.424 0.000 1.119 136 R CA 0.959 56.687 56.100 -0.620 0.000 0.970 136 R CB -0.717 29.255 30.300 -0.547 0.000 0.864 136 R HN 0.299 nan 8.270 nan 0.000 0.440 137 F N 1.814 121.675 119.950 -0.148 0.000 2.113 137 F HA 0.004 4.557 4.527 0.044 0.000 0.297 137 F C 2.407 178.157 175.800 -0.084 0.000 1.103 137 F CA 0.903 58.847 58.000 -0.094 0.000 1.248 137 F CB -0.636 38.303 39.000 -0.103 0.000 0.999 137 F HN -0.135 nan 8.300 nan 0.000 0.475 138 L N -0.296 120.964 121.223 0.062 0.000 2.083 138 L HA -0.182 4.184 4.340 0.044 0.000 0.209 138 L C 2.687 179.571 176.870 0.024 0.000 1.083 138 L CA 1.090 55.929 54.840 -0.001 0.000 0.752 138 L CB -0.917 41.093 42.059 -0.081 0.000 0.899 138 L HN 0.178 nan 8.230 nan 0.000 0.433 139 A N -0.998 121.840 122.820 0.031 0.000 1.873 139 A HA -0.221 4.125 4.320 0.044 0.000 0.215 139 A C 2.286 179.921 177.584 0.086 0.000 1.186 139 A CA 1.382 53.477 52.037 0.096 0.000 0.616 139 A CB -0.451 18.655 19.000 0.176 0.000 0.823 139 A HN 0.357 nan 8.150 nan 0.000 0.442 140 Q N -0.033 119.803 119.800 0.060 0.000 1.990 140 Q HA -0.092 4.274 4.340 0.044 0.000 0.200 140 Q C 2.228 178.267 176.000 0.064 0.000 0.980 140 Q CA 2.159 58.002 55.803 0.066 0.000 0.832 140 Q CB -0.443 28.322 28.738 0.045 0.000 0.897 140 Q HN 0.399 nan 8.270 nan 0.000 0.427 141 V N 1.267 121.219 119.914 0.064 0.000 2.453 141 V HA -0.120 4.026 4.120 0.044 0.000 0.247 141 V C 1.750 177.865 176.094 0.034 0.000 1.048 141 V CA 1.583 63.912 62.300 0.049 0.000 1.049 141 V CB -0.196 31.655 31.823 0.047 0.000 0.672 141 V HN 0.252 nan 8.190 nan 0.000 0.457 142 E N -0.457 119.763 120.200 0.032 0.000 2.489 142 E HA 0.216 4.592 4.350 0.044 0.000 0.204 142 E C 1.704 178.325 176.600 0.036 0.000 1.006 142 E CA 0.728 57.142 56.400 0.024 0.000 0.936 142 E CB 0.733 30.438 29.700 0.010 0.000 1.002 142 E HN 0.571 nan 8.360 nan 0.000 0.488 143 G N 1.823 110.655 108.800 0.053 0.000 2.160 143 G HA2 -0.308 3.678 3.960 0.044 0.000 0.251 143 G HA3 -0.308 3.678 3.960 0.044 0.000 0.251 143 G C 0.482 175.428 174.900 0.077 0.000 1.008 143 G CA 0.388 45.528 45.100 0.067 0.000 0.724 143 G HN 0.457 nan 8.290 nan 0.000 0.514 144 A N -0.598 122.268 122.820 0.075 0.000 2.388 144 A HA 0.693 5.039 4.320 0.044 0.000 0.257 144 A C 0.592 178.260 177.584 0.140 0.000 1.095 144 A CA 0.070 52.158 52.037 0.085 0.000 0.791 144 A CB 1.101 20.132 19.000 0.052 0.000 1.029 144 A HN 1.133 nan 8.150 nan 0.000 0.489 145 V N 3.325 123.330 119.914 0.151 0.000 2.432 145 V HA 0.314 4.460 4.120 0.044 0.000 0.271 145 V C 0.024 176.252 176.094 0.225 0.000 1.046 145 V CA 0.009 62.430 62.300 0.203 0.000 0.945 145 V CB 0.672 32.603 31.823 0.182 0.000 0.992 145 V HN 0.714 nan 8.190 nan 0.000 0.471 146 L N 6.356 127.768 121.223 0.315 0.000 2.356 146 L HA 0.701 5.067 4.340 0.044 0.000 0.277 146 L C -0.799 176.358 176.870 0.478 0.000 0.996 146 L CA -0.342 54.727 54.840 0.382 0.000 0.822 146 L CB 1.841 44.121 42.059 0.368 0.000 1.256 146 L HN 0.442 nan 8.230 nan 0.000 0.413 147 V N 2.932 123.095 119.914 0.415 0.000 2.581 147 V HA 0.733 4.879 4.120 0.044 0.000 0.303 147 V C -0.300 176.048 176.094 0.424 0.000 1.041 147 V CA -0.460 62.053 62.300 0.354 0.000 0.907 147 V CB 1.878 33.833 31.823 0.221 0.000 0.994 147 V HN 0.842 nan 8.190 nan 0.000 0.442 148 S N 4.840 120.782 115.700 0.403 0.000 2.548 148 S HA 0.838 5.334 4.470 0.044 0.000 0.276 148 S C -0.895 173.873 174.600 0.281 0.000 1.129 148 S CA -0.842 57.602 58.200 0.407 0.000 0.931 148 S CB 2.177 65.742 63.200 0.609 0.000 1.068 148 S HN 0.887 nan 8.310 nan 0.000 0.480 149 M N 1.451 121.178 119.600 0.211 0.000 2.598 149 M HA 0.659 5.165 4.480 0.044 0.000 0.317 149 M C -1.550 174.982 176.300 0.386 0.000 1.179 149 M CA -0.531 54.892 55.300 0.205 0.000 0.936 149 M CB 1.052 33.598 32.600 -0.089 0.000 1.713 149 M HN 0.555 nan 8.290 nan 0.000 0.460 150 N N 2.361 121.339 118.700 0.465 0.000 2.524 150 N HA 0.588 5.355 4.740 0.044 0.000 0.283 150 N C -1.435 174.347 175.510 0.454 0.000 1.142 150 N CA 0.098 53.427 53.050 0.465 0.000 0.984 150 N CB 0.622 39.302 38.487 0.322 0.000 1.155 150 N HN 0.726 nan 8.380 nan 0.000 0.467 151 Y N -1.880 118.596 120.300 0.294 0.000 2.534 151 Y HA 0.546 5.122 4.550 0.043 0.000 0.345 151 Y C -0.129 175.894 175.900 0.205 0.000 1.031 151 Y CA -1.318 56.899 58.100 0.195 0.000 1.022 151 Y CB 0.931 39.434 38.460 0.071 0.000 1.292 151 Y HN 0.207 nan 8.280 nan 0.000 0.459 152 R N 2.128 122.765 120.500 0.229 0.000 2.522 152 R HA 0.415 4.781 4.340 0.044 0.000 0.284 152 R C -0.131 176.327 176.300 0.264 0.000 1.032 152 R CA 0.069 56.264 56.100 0.157 0.000 1.049 152 R CB 0.635 30.998 30.300 0.104 0.000 0.956 152 R HN 0.714 nan 8.270 nan 0.000 0.422 153 V N 0.267 120.357 119.914 0.292 0.000 3.204 153 V HA 0.859 5.005 4.120 0.044 0.000 0.316 153 V C 0.890 177.296 176.094 0.520 0.000 1.160 153 V CA -0.167 62.411 62.300 0.463 0.000 1.044 153 V CB 1.047 33.037 31.823 0.278 0.000 1.136 153 V HN 0.959 nan 8.190 nan 0.000 0.455 154 G N 1.492 110.624 108.800 0.554 0.000 2.581 154 G HA2 -0.328 3.659 3.960 0.044 0.000 0.291 154 G HA3 -0.328 3.659 3.960 0.044 0.000 0.291 154 G C 1.052 176.092 174.900 0.233 0.000 1.277 154 G CA 1.755 47.120 45.100 0.443 0.000 0.959 154 G HN 2.325 nan 8.290 nan 0.000 0.554 155 T N -1.905 112.513 114.554 -0.226 0.000 2.788 155 T HA -0.015 4.361 4.350 0.044 0.000 0.268 155 T C 2.142 176.756 174.700 -0.144 0.000 1.044 155 T CA 2.410 64.167 62.100 -0.571 0.000 1.139 155 T CB -0.349 68.043 68.868 -0.793 0.000 0.867 155 T HN 0.523 nan 8.240 nan 0.000 0.454 156 F N 2.153 122.178 119.950 0.124 0.000 2.216 156 F HA 0.232 4.785 4.527 0.043 0.000 0.300 156 F C 2.677 178.492 175.800 0.025 0.000 1.085 156 F CA 0.820 58.841 58.000 0.035 0.000 1.326 156 F CB -0.810 38.178 39.000 -0.021 0.000 1.027 156 F HN 0.385 nan 8.300 nan 0.000 0.497 157 G N -2.307 106.594 108.800 0.168 0.000 2.762 157 G HA2 0.053 4.039 3.960 0.044 0.000 0.209 157 G HA3 0.053 4.039 3.960 0.044 0.000 0.209 157 G C 0.849 175.350 174.900 -0.666 0.000 1.134 157 G CA 0.185 45.149 45.100 -0.227 0.000 0.781 157 G HN 0.343 nan 8.290 nan 0.000 0.528 158 F N -0.620 119.427 119.950 0.162 0.000 2.915 158 F HA 0.419 4.972 4.527 0.044 0.000 0.347 158 F C 0.419 176.313 175.800 0.158 0.000 1.104 158 F CA -0.951 57.126 58.000 0.129 0.000 1.126 158 F CB 0.381 39.460 39.000 0.132 0.000 1.145 158 F HN -0.076 nan 8.300 nan 0.000 0.541 159 L N 2.219 123.532 121.223 0.149 0.000 2.513 159 L HA 0.543 4.909 4.340 0.044 0.000 0.272 159 L C -0.071 176.799 176.870 0.001 0.000 1.187 159 L CA 0.075 54.922 54.840 0.011 0.000 0.895 159 L CB 0.446 42.251 42.059 -0.425 0.000 1.147 159 L HN 0.118 nan 8.230 nan 0.000 0.483 160 A N 6.448 129.303 122.820 0.058 0.000 2.422 160 A HA 0.633 4.979 4.320 0.044 0.000 0.302 160 A C -1.037 176.541 177.584 -0.010 0.000 1.041 160 A CA -0.599 51.447 52.037 0.015 0.000 0.708 160 A CB 1.280 20.316 19.000 0.060 0.000 1.257 160 A HN 0.719 nan 8.150 nan 0.000 0.414 161 L N 3.311 124.511 121.223 -0.039 0.000 2.426 161 L HA 0.302 4.668 4.340 0.044 0.000 0.255 161 L C -2.435 174.430 176.870 -0.009 0.000 1.080 161 L CA -1.880 52.943 54.840 -0.028 0.000 0.960 161 L CB 1.295 43.324 42.059 -0.050 0.000 1.326 161 L HN 0.408 nan 8.230 nan 0.000 0.441 162 P HA -0.011 nan 4.420 nan 0.000 0.260 162 P C 0.988 178.292 177.300 0.007 0.000 1.172 162 P CA 0.992 64.097 63.100 0.009 0.000 0.760 162 P CB 0.768 32.473 31.700 0.009 0.000 0.773 163 G N 1.981 110.788 108.800 0.012 0.000 2.234 163 G HA2 -0.243 3.744 3.960 0.044 0.000 0.235 163 G HA3 -0.243 3.744 3.960 0.044 0.000 0.235 163 G C 0.435 175.341 174.900 0.011 0.000 0.997 163 G CA 0.218 45.325 45.100 0.012 0.000 0.623 163 G HN 0.794 nan 8.290 nan 0.000 0.514 164 S N -0.277 115.428 115.700 0.008 0.000 2.600 164 S HA 0.588 5.084 4.470 0.044 0.000 0.265 164 S C 1.169 175.779 174.600 0.017 0.000 1.325 164 S CA 0.466 58.670 58.200 0.007 0.000 1.002 164 S CB 1.880 65.078 63.200 -0.004 0.000 0.921 164 S HN 0.443 nan 8.310 nan 0.000 0.554 165 R N 0.297 120.809 120.500 0.020 0.000 2.223 165 R HA 0.036 4.402 4.340 0.044 0.000 0.198 165 R C 1.199 177.522 176.300 0.038 0.000 0.984 165 R CA 0.844 56.961 56.100 0.028 0.000 1.018 165 R CB -0.014 30.302 30.300 0.027 0.000 0.945 165 R HN 0.907 nan 8.270 nan 0.000 0.479 166 E N -0.892 119.330 120.200 0.038 0.000 2.481 166 E HA 0.097 4.473 4.350 0.044 0.000 0.198 166 E C -0.285 176.362 176.600 0.077 0.000 1.027 166 E CA 0.166 56.603 56.400 0.062 0.000 0.900 166 E CB 1.163 30.900 29.700 0.063 0.000 0.993 166 E HN 0.162 nan 8.360 nan 0.000 0.482 167 A N 2.005 124.844 122.820 0.032 0.000 3.399 167 A HA 0.406 4.752 4.320 0.044 0.000 0.262 167 A C -2.386 175.202 177.584 0.007 0.000 1.145 167 A CA -0.845 51.196 52.037 0.006 0.000 0.916 167 A CB 0.779 19.697 19.000 -0.135 0.000 1.360 167 A HN -0.097 nan 8.150 nan 0.000 0.628 168 P HA 0.163 nan 4.420 nan 0.000 0.226 168 P C 0.999 178.319 177.300 0.034 0.000 1.153 168 P CA 1.915 65.035 63.100 0.034 0.000 0.777 168 P CB 0.224 31.952 31.700 0.046 0.000 0.794 169 G N -0.067 108.751 108.800 0.031 0.000 2.730 169 G HA2 -0.172 3.815 3.960 0.044 0.000 0.686 169 G HA3 -0.172 3.815 3.960 0.044 0.000 0.686 169 G C -0.168 174.732 174.900 -0.000 0.000 1.343 169 G CA -0.309 44.813 45.100 0.037 0.000 0.826 169 G HN 0.116 nan 8.290 nan 0.000 0.582 170 N N -2.494 116.198 118.700 -0.013 0.000 2.800 170 N HA -0.269 4.497 4.740 0.044 0.000 0.250 170 N C 1.790 177.139 175.510 -0.268 0.000 1.078 170 N CA 2.444 55.415 53.050 -0.132 0.000 0.804 170 N CB -1.714 36.663 38.487 -0.185 0.000 1.135 170 N HN 1.920 nan 8.380 nan 0.000 0.565 171 V N -2.938 116.814 119.914 -0.270 0.000 2.667 171 V HA 0.058 4.204 4.120 0.044 0.000 0.252 171 V C 2.309 178.263 176.094 -0.233 0.000 1.065 171 V CA 2.178 64.375 62.300 -0.172 0.000 1.083 171 V CB -0.829 30.951 31.823 -0.073 0.000 0.692 171 V HN 0.267 nan 8.190 nan 0.000 0.468 172 G N 0.750 109.210 108.800 -0.566 0.000 2.418 172 G HA2 -0.174 3.812 3.960 0.044 0.000 0.217 172 G HA3 -0.174 3.812 3.960 0.044 0.000 0.217 172 G C 1.552 176.378 174.900 -0.124 0.000 1.158 172 G CA 1.278 46.163 45.100 -0.359 0.000 0.771 172 G HN 0.541 nan 8.290 nan 0.000 0.545 173 L N -0.115 120.980 121.223 -0.213 0.000 2.093 173 L HA 0.059 4.425 4.340 0.044 0.000 0.208 173 L C 2.808 179.667 176.870 -0.019 0.000 1.085 173 L CA 0.358 55.054 54.840 -0.240 0.000 0.755 173 L CB -0.315 41.257 42.059 -0.811 0.000 0.904 173 L HN 0.176 nan 8.230 nan 0.000 0.435 174 L N -0.586 120.637 121.223 0.001 0.000 2.201 174 L HA -0.193 4.173 4.340 0.044 0.000 0.212 174 L C 2.129 179.105 176.870 0.178 0.000 1.105 174 L CA 0.745 55.687 54.840 0.169 0.000 0.775 174 L CB -0.593 41.548 42.059 0.137 0.000 0.913 174 L HN 0.270 nan 8.230 nan 0.000 0.440 175 D N 0.105 120.597 120.400 0.153 0.000 2.084 175 D HA -0.205 4.462 4.640 0.044 0.000 0.194 175 D C 2.284 178.708 176.300 0.207 0.000 0.990 175 D CA 1.251 55.418 54.000 0.279 0.000 0.826 175 D CB -0.217 40.769 40.800 0.311 0.000 0.971 175 D HN 0.375 nan 8.370 nan 0.000 0.453 176 Q N 0.100 119.954 119.800 0.090 0.000 2.096 176 Q HA -0.163 4.203 4.340 0.044 0.000 0.204 176 Q C 2.280 178.243 176.000 -0.061 0.000 0.982 176 Q CA 1.252 57.024 55.803 -0.051 0.000 0.850 176 Q CB -0.123 28.584 28.738 -0.052 0.000 0.901 176 Q HN 0.212 nan 8.270 nan 0.000 0.422 177 R N 0.608 121.192 120.500 0.141 0.000 2.096 177 R HA -0.166 4.200 4.340 0.044 0.000 0.235 177 R C 2.177 178.528 176.300 0.085 0.000 1.127 177 R CA 1.010 57.196 56.100 0.143 0.000 0.968 177 R CB -0.210 30.290 30.300 0.333 0.000 0.861 177 R HN 0.249 nan 8.270 nan 0.000 0.440 178 L N 0.777 122.073 121.223 0.121 0.000 2.093 178 L HA 0.005 4.371 4.340 0.044 0.000 0.208 178 L C 2.253 179.162 176.870 0.066 0.000 1.085 178 L CA 2.057 56.994 54.840 0.163 0.000 0.755 178 L CB -0.667 41.567 42.059 0.291 0.000 0.904 178 L HN 0.255 nan 8.230 nan 0.000 0.435 179 A N -0.725 121.939 122.820 -0.259 0.000 1.902 179 A HA -0.155 4.191 4.320 0.044 0.000 0.217 179 A C 2.104 179.626 177.584 -0.103 0.000 1.181 179 A CA 1.804 53.522 52.037 -0.532 0.000 0.623 179 A CB -0.808 17.599 19.000 -0.990 0.000 0.818 179 A HN 0.417 nan 8.150 nan 0.000 0.443 180 L N -0.290 120.881 121.223 -0.086 0.000 2.046 180 L HA -0.206 4.161 4.340 0.044 0.000 0.208 180 L C 2.641 179.553 176.870 0.070 0.000 1.077 180 L CA 2.021 56.851 54.840 -0.016 0.000 0.747 180 L CB -1.098 40.913 42.059 -0.080 0.000 0.896 180 L HN 0.475 nan 8.230 nan 0.000 0.432 181 Q N -2.378 117.477 119.800 0.091 0.000 2.084 181 Q HA -0.261 4.105 4.340 0.044 0.000 0.202 181 Q C 2.144 178.234 176.000 0.150 0.000 0.978 181 Q CA 1.868 57.737 55.803 0.110 0.000 0.844 181 Q CB -0.379 28.431 28.738 0.120 0.000 0.898 181 Q HN 0.595 nan 8.270 nan 0.000 0.426 182 W N 0.180 121.490 121.300 0.018 0.000 2.358 182 W HA -0.220 4.466 4.660 0.044 0.000 0.303 182 W C 1.778 178.323 176.519 0.044 0.000 1.208 182 W CA 1.259 58.635 57.345 0.051 0.000 1.274 182 W CB -0.099 29.398 29.460 0.061 0.000 1.138 182 W HN -0.135 nan 8.180 nan 0.000 0.515 183 V N 0.916 121.040 119.914 0.350 0.000 2.343 183 V HA -0.352 3.794 4.120 0.044 0.000 0.247 183 V C 2.560 178.666 176.094 0.019 0.000 1.051 183 V CA 2.066 64.482 62.300 0.194 0.000 1.036 183 V CB -1.010 30.934 31.823 0.203 0.000 0.654 183 V HN 0.205 nan 8.190 nan 0.000 0.451 184 Q N 0.015 119.834 119.800 0.032 0.000 2.096 184 Q HA -0.231 4.135 4.340 0.044 0.000 0.204 184 Q C 2.189 178.157 176.000 -0.053 0.000 0.982 184 Q CA 1.852 57.660 55.803 0.009 0.000 0.850 184 Q CB -0.313 28.439 28.738 0.023 0.000 0.901 184 Q HN 0.738 nan 8.270 nan 0.000 0.422 185 E N -0.408 119.723 120.200 -0.115 0.000 2.299 185 E HA -0.010 4.366 4.350 0.044 0.000 0.193 185 E C 1.141 177.584 176.600 -0.261 0.000 0.998 185 E CA 0.352 56.653 56.400 -0.164 0.000 0.851 185 E CB 0.261 29.865 29.700 -0.160 0.000 0.795 185 E HN 0.311 nan 8.360 nan 0.000 0.492 186 N N -0.225 118.233 118.700 -0.404 0.000 2.211 186 N HA 0.029 4.795 4.740 0.044 0.000 0.216 186 N C 1.354 176.767 175.510 -0.161 0.000 1.240 186 N CA 0.037 52.806 53.050 -0.469 0.000 0.895 186 N CB 0.525 38.316 38.487 -1.160 0.000 1.102 186 N HN 0.035 nan 8.380 nan 0.000 0.498 187 I N 2.438 122.955 120.570 -0.088 0.000 2.493 187 I HA -0.063 4.133 4.170 0.044 0.000 0.254 187 I C 2.138 178.364 176.117 0.182 0.000 1.160 187 I CA 0.565 61.931 61.300 0.110 0.000 1.445 187 I CB -0.282 37.768 38.000 0.083 0.000 1.086 187 I HN 0.061 nan 8.210 nan 0.000 0.433 188 A N 0.339 123.201 122.820 0.070 0.000 1.978 188 A HA -0.158 4.188 4.320 0.044 0.000 0.220 188 A C 2.474 180.074 177.584 0.026 0.000 1.170 188 A CA 1.665 53.728 52.037 0.044 0.000 0.636 188 A CB -1.124 17.874 19.000 -0.002 0.000 0.810 188 A HN 0.471 nan 8.150 nan 0.000 0.448 189 A N -1.689 121.121 122.820 -0.018 0.000 2.125 189 A HA 0.067 4.413 4.320 0.044 0.000 0.219 189 A C 1.550 178.950 177.584 -0.306 0.000 1.156 189 A CA 1.236 53.156 52.037 -0.195 0.000 0.671 189 A CB -0.630 18.170 19.000 -0.333 0.000 0.794 189 A HN 0.502 nan 8.150 nan 0.000 0.459 190 F N -1.515 118.393 119.950 -0.070 0.000 2.695 190 F HA 0.380 4.934 4.527 0.044 0.000 0.303 190 F C 1.775 177.588 175.800 0.022 0.000 1.091 190 F CA 0.503 58.477 58.000 -0.042 0.000 1.300 190 F CB 0.338 39.325 39.000 -0.022 0.000 1.071 190 F HN 0.321 nan 8.300 nan 0.000 0.578 191 G N 0.275 109.167 108.800 0.153 0.000 2.157 191 G HA2 -0.162 3.824 3.960 0.044 0.000 0.239 191 G HA3 -0.162 3.824 3.960 0.044 0.000 0.239 191 G C 0.585 175.557 174.900 0.119 0.000 0.982 191 G CA -0.284 44.882 45.100 0.109 0.000 0.650 191 G HN 0.706 nan 8.290 nan 0.000 0.527 192 G N -0.477 108.412 108.800 0.150 0.000 2.448 192 G HA2 0.486 4.472 3.960 0.044 0.000 0.285 192 G HA3 0.486 4.472 3.960 0.044 0.000 0.285 192 G C -0.755 174.197 174.900 0.086 0.000 1.176 192 G CA 0.220 45.395 45.100 0.125 0.000 0.852 192 G HN 0.216 nan 8.290 nan 0.000 0.530 193 D N 1.603 122.045 120.400 0.071 0.000 2.396 193 D HA 0.331 4.998 4.640 0.044 0.000 0.225 193 D C -1.437 174.903 176.300 0.067 0.000 1.121 193 D CA -2.369 51.659 54.000 0.046 0.000 0.853 193 D CB 1.868 42.677 40.800 0.015 0.000 1.043 193 D HN -0.022 nan 8.370 nan 0.000 0.500 194 P HA -0.055 nan 4.420 nan 0.000 0.225 194 P C 1.227 178.646 177.300 0.198 0.000 1.148 194 P CA 0.983 64.151 63.100 0.113 0.000 0.779 194 P CB 0.115 31.856 31.700 0.068 0.000 0.780 195 M N -2.012 117.635 119.600 0.079 0.000 2.495 195 M HA 0.075 4.581 4.480 0.044 0.000 0.237 195 M C 0.599 176.569 176.300 -0.550 0.000 1.131 195 M CA 0.538 55.795 55.300 -0.072 0.000 1.032 195 M CB 0.187 32.725 32.600 -0.103 0.000 1.513 195 M HN -0.194 nan 8.290 nan 0.000 0.488 196 S N 1.120 116.708 115.700 -0.188 0.000 2.395 196 S HA 0.467 4.963 4.470 0.044 0.000 0.207 196 S C -0.988 173.713 174.600 0.168 0.000 1.454 196 S CA -0.553 57.550 58.200 -0.162 0.000 1.211 196 S CB 0.469 63.592 63.200 -0.128 0.000 1.093 196 S HN -0.001 nan 8.310 nan 0.000 0.472 197 V N 4.255 124.491 119.914 0.536 0.000 2.444 197 V HA 0.550 4.697 4.120 0.044 0.000 0.294 197 V C -0.069 176.209 176.094 0.307 0.000 1.022 197 V CA -0.529 61.973 62.300 0.337 0.000 0.850 197 V CB 1.938 33.916 31.823 0.258 0.000 0.992 197 V HN 0.746 nan 8.190 nan 0.000 0.426 198 T N 6.434 121.120 114.554 0.220 0.000 2.786 198 T HA 0.587 4.963 4.350 0.044 0.000 0.283 198 T C -0.271 174.579 174.700 0.250 0.000 0.992 198 T CA -0.353 61.880 62.100 0.221 0.000 0.954 198 T CB 0.865 69.813 68.868 0.133 0.000 0.934 198 T HN 0.363 nan 8.240 nan 0.000 0.440 199 L N 5.090 126.441 121.223 0.213 0.000 2.305 199 L HA 0.636 5.002 4.340 0.044 0.000 0.281 199 L C -0.388 176.689 176.870 0.345 0.000 1.085 199 L CA -0.808 54.126 54.840 0.156 0.000 0.813 199 L CB 0.136 42.086 42.059 -0.182 0.000 1.157 199 L HN 0.601 nan 8.230 nan 0.000 0.436 200 F N 0.771 120.783 119.950 0.103 0.000 2.576 200 F HA 0.979 5.532 4.527 0.043 0.000 0.313 200 F C -0.194 175.572 175.800 -0.056 0.000 1.078 200 F CA -1.658 56.440 58.000 0.164 0.000 0.921 200 F CB 1.615 40.859 39.000 0.407 0.000 1.232 200 F HN 0.452 nan 8.300 nan 0.000 0.459 201 G N 1.247 109.875 108.800 -0.286 0.000 2.646 201 G HA2 0.490 4.477 3.960 0.044 0.000 0.291 201 G HA3 0.490 4.477 3.960 0.044 0.000 0.291 201 G C -2.506 172.148 174.900 -0.410 0.000 1.445 201 G CA -0.803 43.741 45.100 -0.928 0.000 0.814 201 G HN 0.855 nan 8.290 nan 0.000 0.495 202 E N 0.425 120.345 120.200 -0.467 0.000 2.248 202 E HA 0.621 4.997 4.350 0.044 0.000 0.267 202 E C 0.570 177.098 176.600 -0.121 0.000 0.877 202 E CA 0.244 56.602 56.400 -0.070 0.000 0.759 202 E CB 2.123 31.927 29.700 0.174 0.000 1.182 202 E HN 0.836 nan 8.360 nan 0.000 0.418 203 S N 2.859 118.572 115.700 0.022 0.000 4.116 203 S HA -0.392 4.104 4.470 0.044 0.000 0.623 203 S C 1.477 176.134 174.600 0.096 0.000 1.933 203 S CA 1.996 60.271 58.200 0.125 0.000 4.224 203 S CB -1.601 61.593 63.200 -0.011 0.000 0.208 203 S HN 0.966 nan 8.310 nan 0.000 0.527 204 A N 1.000 123.724 122.820 -0.161 0.000 1.948 204 A HA 0.069 4.415 4.320 0.044 0.000 0.220 204 A C 2.536 179.835 177.584 -0.474 0.000 1.177 204 A CA 2.728 54.469 52.037 -0.494 0.000 0.636 204 A CB -1.659 16.641 19.000 -1.168 0.000 0.815 204 A HN 1.681 nan 8.150 nan 0.000 0.449 205 G N -0.712 107.848 108.800 -0.400 0.000 2.422 205 G HA2 0.012 3.998 3.960 0.044 0.000 0.218 205 G HA3 0.012 3.998 3.960 0.044 0.000 0.218 205 G C 1.724 176.427 174.900 -0.327 0.000 1.146 205 G CA 1.404 46.229 45.100 -0.458 0.000 0.769 205 G HN 0.808 nan 8.290 nan 0.000 0.547 206 A N 1.246 123.951 122.820 -0.191 0.000 1.873 206 A HA 0.294 4.640 4.320 0.044 0.000 0.215 206 A C 2.834 180.388 177.584 -0.050 0.000 1.186 206 A CA 2.198 54.188 52.037 -0.077 0.000 0.616 206 A CB -0.853 18.165 19.000 0.030 0.000 0.823 206 A HN 0.790 nan 8.150 nan 0.000 0.442 207 A N -0.482 122.333 122.820 -0.008 0.000 1.940 207 A HA -0.097 4.249 4.320 0.044 0.000 0.219 207 A C 2.442 180.022 177.584 -0.007 0.000 1.176 207 A CA 2.167 54.192 52.037 -0.019 0.000 0.631 207 A CB -0.860 18.149 19.000 0.015 0.000 0.814 207 A HN 0.455 nan 8.150 nan 0.000 0.446 208 S N -0.490 115.196 115.700 -0.023 0.000 2.348 208 S HA -0.139 4.357 4.470 0.044 0.000 0.221 208 S C 1.922 176.514 174.600 -0.014 0.000 1.033 208 S CA 1.398 59.569 58.200 -0.048 0.000 1.010 208 S CB -0.577 62.526 63.200 -0.161 0.000 0.891 208 S HN 0.351 nan 8.310 nan 0.000 0.442 209 V N 1.838 121.725 119.914 -0.045 0.000 2.282 209 V HA -0.234 3.912 4.120 0.044 0.000 0.249 209 V C 2.631 178.709 176.094 -0.026 0.000 1.057 209 V CA 2.080 64.350 62.300 -0.050 0.000 1.032 209 V CB -1.582 30.181 31.823 -0.101 0.000 0.645 209 V HN 0.610 nan 8.190 nan 0.000 0.447 210 G N -0.986 107.794 108.800 -0.032 0.000 2.440 210 G HA2 -0.313 3.673 3.960 0.044 0.000 0.218 210 G HA3 -0.313 3.673 3.960 0.044 0.000 0.218 210 G C 1.608 176.511 174.900 0.006 0.000 1.154 210 G CA 1.286 46.370 45.100 -0.027 0.000 0.767 210 G HN 0.470 nan 8.290 nan 0.000 0.552 211 M N -0.266 119.324 119.600 -0.017 0.000 2.319 211 M HA 0.042 4.548 4.480 0.044 0.000 0.265 211 M C 2.255 178.597 176.300 0.071 0.000 1.068 211 M CA 0.766 56.079 55.300 0.022 0.000 1.118 211 M CB -0.174 32.407 32.600 -0.031 0.000 1.395 211 M HN 0.225 nan 8.290 nan 0.000 0.435 212 H N -0.169 118.973 119.070 0.121 0.000 2.428 212 H HA -0.005 4.577 4.556 0.043 0.000 0.296 212 H C 2.129 177.580 175.328 0.205 0.000 1.062 212 H CA 1.405 57.511 56.048 0.097 0.000 1.350 212 H CB -0.202 29.468 29.762 -0.153 0.000 1.403 212 H HN 0.407 nan 8.280 nan 0.000 0.533 213 I N 0.799 121.553 120.570 0.308 0.000 2.286 213 I HA -0.235 3.961 4.170 0.044 0.000 0.248 213 I C 1.647 177.943 176.117 0.297 0.000 1.115 213 I CA 1.094 62.635 61.300 0.401 0.000 1.392 213 I CB -0.034 38.113 38.000 0.245 0.000 1.065 213 I HN 0.111 nan 8.210 nan 0.000 0.418 214 L N -0.780 120.562 121.223 0.197 0.000 2.653 214 L HA 0.152 4.518 4.340 0.044 0.000 0.231 214 L C 0.663 177.575 176.870 0.068 0.000 1.153 214 L CA -0.015 54.922 54.840 0.162 0.000 0.933 214 L CB 0.052 42.185 42.059 0.124 0.000 1.175 214 L HN 0.003 nan 8.230 nan 0.000 0.473 215 S N -0.341 115.368 115.700 0.016 0.000 2.552 215 S HA 0.269 4.765 4.470 0.044 0.000 0.314 215 S C 0.544 175.071 174.600 -0.120 0.000 1.099 215 S CA -0.633 57.461 58.200 -0.177 0.000 1.070 215 S CB 1.611 64.433 63.200 -0.630 0.000 0.998 215 S HN 0.145 nan 8.310 nan 0.000 0.474 216 L N 7.480 128.634 121.223 -0.115 0.000 1.990 216 L HA 0.089 4.455 4.340 0.044 0.000 0.213 216 L C -1.074 175.756 176.870 -0.066 0.000 1.072 216 L CA 2.322 57.119 54.840 -0.072 0.000 0.755 216 L CB -1.308 40.709 42.059 -0.070 0.000 0.889 216 L HN 0.510 nan 8.230 nan 0.000 0.432 217 P HA -0.103 nan 4.420 nan 0.000 0.219 217 P C 1.642 178.940 177.300 -0.002 0.000 1.146 217 P CA 1.522 64.585 63.100 -0.062 0.000 0.808 217 P CB -0.042 31.603 31.700 -0.092 0.000 0.779 218 S N -1.045 114.675 115.700 0.032 0.000 2.461 218 S HA -0.055 4.442 4.470 0.044 0.000 0.228 218 S C 1.921 176.666 174.600 0.241 0.000 1.005 218 S CA 0.270 58.590 58.200 0.201 0.000 0.942 218 S CB -0.507 62.922 63.200 0.382 0.000 0.776 218 S HN 0.178 nan 8.310 nan 0.000 0.514 219 R N 2.073 122.632 120.500 0.097 0.000 2.113 219 R HA -0.154 4.212 4.340 0.044 0.000 0.244 219 R C 1.967 178.140 176.300 -0.212 0.000 1.142 219 R CA 2.055 58.097 56.100 -0.096 0.000 0.953 219 R CB -0.553 29.695 30.300 -0.086 0.000 0.860 219 R HN 0.500 nan 8.270 nan 0.000 0.438 220 S N -0.160 115.482 115.700 -0.097 0.000 2.603 220 S HA 0.016 4.512 4.470 0.044 0.000 0.229 220 S C 1.601 176.138 174.600 -0.105 0.000 0.972 220 S CA 0.405 58.543 58.200 -0.103 0.000 0.935 220 S CB -0.003 63.170 63.200 -0.045 0.000 0.769 220 S HN 0.402 nan 8.310 nan 0.000 0.536 221 L N 0.138 121.332 121.223 -0.048 0.000 2.693 221 L HA 0.491 4.857 4.340 0.044 0.000 0.235 221 L C 0.041 176.940 176.870 0.049 0.000 1.127 221 L CA -0.331 54.526 54.840 0.028 0.000 0.914 221 L CB -0.021 42.101 42.059 0.105 0.000 1.193 221 L HN 0.517 nan 8.230 nan 0.000 0.502 222 F N -3.809 115.933 119.950 -0.346 0.000 2.741 222 F HA 0.442 4.996 4.527 0.044 0.000 0.311 222 F C 0.246 175.714 175.800 -0.554 0.000 1.149 222 F CA -1.018 56.731 58.000 -0.418 0.000 0.930 222 F CB 0.776 39.688 39.000 -0.146 0.000 1.312 222 F HN -0.125 nan 8.300 nan 0.000 0.450 223 H N -0.439 118.617 119.070 -0.023 0.000 3.205 223 H HA 0.460 5.042 4.556 0.043 0.000 0.252 223 H C -0.099 175.208 175.328 -0.036 0.000 1.015 223 H CA -0.074 55.889 56.048 -0.141 0.000 1.192 223 H CB 1.034 30.747 29.762 -0.082 0.000 1.474 223 H HN 0.435 nan 8.280 nan 0.000 0.484 224 R N 0.235 120.904 120.500 0.282 0.000 2.764 224 R HA 0.722 5.088 4.340 0.044 0.000 0.270 224 R C -1.412 175.153 176.300 0.442 0.000 1.014 224 R CA -0.689 55.565 56.100 0.255 0.000 0.904 224 R CB 2.904 33.163 30.300 -0.068 0.000 1.236 224 R HN 0.141 nan 8.270 nan 0.000 0.466 225 A N 1.028 124.121 122.820 0.454 0.000 2.515 225 A HA 0.715 5.061 4.320 0.044 0.000 0.298 225 A C -1.448 176.307 177.584 0.286 0.000 1.059 225 A CA -0.615 51.624 52.037 0.338 0.000 0.698 225 A CB 1.951 21.101 19.000 0.250 0.000 1.289 225 A HN 0.298 nan 8.150 nan 0.000 0.404 226 V N 1.896 121.927 119.914 0.196 0.000 2.525 226 V HA 0.489 4.635 4.120 0.044 0.000 0.299 226 V C -1.240 174.939 176.094 0.142 0.000 1.034 226 V CA -0.318 62.033 62.300 0.085 0.000 0.863 226 V CB 1.241 33.133 31.823 0.115 0.000 0.999 226 V HN 0.676 nan 8.190 nan 0.000 0.423 227 L N 5.109 126.385 121.223 0.088 0.000 2.295 227 L HA 0.533 4.900 4.340 0.044 0.000 0.281 227 L C 0.057 177.022 176.870 0.159 0.000 1.018 227 L CA -0.034 54.857 54.840 0.084 0.000 0.841 227 L CB 1.476 43.542 42.059 0.012 0.000 1.218 227 L HN 0.640 nan 8.230 nan 0.000 0.424 228 Q N 2.023 121.969 119.800 0.243 0.000 2.331 228 Q HA 0.464 4.830 4.340 0.044 0.000 0.257 228 Q C 0.236 176.371 176.000 0.225 0.000 0.957 228 Q CA -0.496 55.510 55.803 0.338 0.000 0.923 228 Q CB 1.179 30.209 28.738 0.486 0.000 1.212 228 Q HN 0.620 nan 8.270 nan 0.000 0.443 229 S N 0.921 116.745 115.700 0.206 0.000 3.641 229 S HA -0.150 4.347 4.470 0.044 0.000 0.346 229 S C 0.014 174.811 174.600 0.328 0.000 1.074 229 S CA 0.558 58.913 58.200 0.259 0.000 1.026 229 S CB -1.186 62.196 63.200 0.305 0.000 0.908 229 S HN 1.006 nan 8.310 nan 0.000 0.479 230 G N -0.392 108.552 108.800 0.239 0.000 2.616 230 G HA2 0.634 4.620 3.960 0.044 0.000 0.294 230 G HA3 0.634 4.620 3.960 0.044 0.000 0.294 230 G C -0.917 174.044 174.900 0.102 0.000 1.489 230 G CA 0.235 45.529 45.100 0.322 0.000 0.836 230 G HN 0.920 nan 8.290 nan 0.000 0.527 231 T N -1.176 113.365 114.554 -0.022 0.000 2.868 231 T HA 0.740 5.116 4.350 0.044 0.000 0.306 231 T C -2.514 172.018 174.700 -0.281 0.000 1.224 231 T CA -1.493 60.517 62.100 -0.150 0.000 1.012 231 T CB 2.851 71.617 68.868 -0.169 0.000 1.221 231 T HN 0.194 nan 8.240 nan 0.000 0.499 232 P HA 0.022 nan 4.420 nan 0.000 0.220 232 P C 0.493 177.629 177.300 -0.272 0.000 1.152 232 P CA 0.619 63.590 63.100 -0.216 0.000 0.812 232 P CB -0.073 31.555 31.700 -0.119 0.000 0.792 233 N N 0.490 119.045 118.700 -0.242 0.000 2.347 233 N HA 0.294 5.060 4.740 0.044 0.000 0.253 233 N C 0.726 176.019 175.510 -0.362 0.000 1.274 233 N CA 0.627 53.532 53.050 -0.241 0.000 0.941 233 N CB 0.047 38.435 38.487 -0.166 0.000 1.200 233 N HN 0.211 nan 8.380 nan 0.000 0.514 234 G N -0.947 107.659 108.800 -0.323 0.000 2.592 234 G HA2 -0.120 3.866 3.960 0.044 0.000 0.684 234 G HA3 -0.120 3.866 3.960 0.044 0.000 0.684 234 G C -2.351 172.295 174.900 -0.424 0.000 1.291 234 G CA -0.268 44.589 45.100 -0.406 0.000 0.891 234 G HN 0.497 nan 8.290 nan 0.000 0.544 235 P HA 0.138 nan 4.420 nan 0.000 0.227 235 P C 1.525 178.741 177.300 -0.139 0.000 1.161 235 P CA 2.050 64.998 63.100 -0.252 0.000 0.788 235 P CB -0.012 31.493 31.700 -0.324 0.000 0.822 236 W N -2.062 119.135 121.300 -0.171 0.000 2.865 236 W HA 0.592 5.278 4.660 0.043 0.000 0.300 236 W C 1.056 177.634 176.519 0.099 0.000 1.096 236 W CA 0.417 57.739 57.345 -0.038 0.000 1.524 236 W CB -0.753 28.716 29.460 0.015 0.000 0.991 236 W HN -0.181 nan 8.180 nan 0.000 0.571 237 A N 1.931 124.433 122.820 -0.530 0.000 2.072 237 A HA 0.120 4.467 4.320 0.044 0.000 0.216 237 A C 1.227 178.653 177.584 -0.263 0.000 1.156 237 A CA 1.853 53.642 52.037 -0.413 0.000 0.701 237 A CB -0.778 17.726 19.000 -0.826 0.000 0.816 237 A HN 0.234 nan 8.150 nan 0.000 0.458 238 T N -3.288 111.124 114.554 -0.238 0.000 2.887 238 T HA 0.649 5.026 4.350 0.044 0.000 0.292 238 T C -0.590 174.030 174.700 -0.134 0.000 1.087 238 T CA -0.108 61.869 62.100 -0.205 0.000 1.009 238 T CB 1.445 70.204 68.868 -0.182 0.000 1.203 238 T HN 0.934 nan 8.240 nan 0.000 0.518 239 V N -1.595 118.251 119.914 -0.113 0.000 3.159 239 V HA 0.880 5.026 4.120 0.044 0.000 0.308 239 V C 0.145 176.202 176.094 -0.061 0.000 1.190 239 V CA -0.936 61.317 62.300 -0.079 0.000 1.037 239 V CB 1.309 33.089 31.823 -0.073 0.000 1.060 239 V HN 1.374 nan 8.190 nan 0.000 0.437 240 S N 1.395 117.067 115.700 -0.048 0.000 2.600 240 S HA 0.596 5.092 4.470 0.044 0.000 0.265 240 S C 1.433 176.018 174.600 -0.025 0.000 1.325 240 S CA 0.089 58.269 58.200 -0.034 0.000 1.002 240 S CB 1.211 64.393 63.200 -0.030 0.000 0.921 240 S HN 2.008 nan 8.310 nan 0.000 0.554 241 A N 1.991 124.802 122.820 -0.015 0.000 1.908 241 A HA 0.067 4.413 4.320 0.044 0.000 0.218 241 A C 2.204 179.783 177.584 -0.008 0.000 1.181 241 A CA 1.873 53.906 52.037 -0.006 0.000 0.627 241 A CB -1.848 17.151 19.000 -0.002 0.000 0.818 241 A HN 1.139 nan 8.150 nan 0.000 0.445 242 G N -0.564 108.228 108.800 -0.012 0.000 2.421 242 G HA2 -0.242 3.744 3.960 0.044 0.000 0.216 242 G HA3 -0.242 3.744 3.960 0.044 0.000 0.216 242 G C 1.474 176.365 174.900 -0.016 0.000 1.171 242 G CA 1.340 46.432 45.100 -0.013 0.000 0.775 242 G HN 0.568 nan 8.290 nan 0.000 0.543 243 E N 0.916 121.101 120.200 -0.024 0.000 2.150 243 E HA 0.107 4.483 4.350 0.044 0.000 0.193 243 E C 2.601 179.177 176.600 -0.040 0.000 0.985 243 E CA 1.302 57.681 56.400 -0.035 0.000 0.814 243 E CB -0.464 29.210 29.700 -0.044 0.000 0.752 243 E HN 0.289 nan 8.360 nan 0.000 0.466 244 A N 0.918 123.722 122.820 -0.026 0.000 1.855 244 A HA -0.158 4.188 4.320 0.044 0.000 0.215 244 A C 2.301 179.898 177.584 0.020 0.000 1.191 244 A CA 1.729 53.765 52.037 -0.002 0.000 0.613 244 A CB -0.671 18.342 19.000 0.021 0.000 0.829 244 A HN 0.281 nan 8.150 nan 0.000 0.442 245 R N -0.447 120.059 120.500 0.010 0.000 2.103 245 R HA -0.186 4.180 4.340 0.044 0.000 0.242 245 R C 2.435 178.740 176.300 0.009 0.000 1.142 245 R CA 1.824 57.929 56.100 0.008 0.000 0.960 245 R CB -0.321 29.979 30.300 -0.000 0.000 0.858 245 R HN 0.535 nan 8.270 nan 0.000 0.439 246 R N 0.439 120.938 120.500 -0.001 0.000 2.073 246 R HA -0.125 4.241 4.340 0.044 0.000 0.234 246 R C 2.155 178.459 176.300 0.005 0.000 1.134 246 R CA 1.784 57.882 56.100 -0.003 0.000 0.952 246 R CB -0.094 30.198 30.300 -0.013 0.000 0.850 246 R HN 0.284 nan 8.270 nan 0.000 0.433 247 R N -0.248 120.246 120.500 -0.010 0.000 2.090 247 R HA -0.006 4.361 4.340 0.044 0.000 0.228 247 R C 2.343 178.724 176.300 0.134 0.000 1.110 247 R CA 1.127 57.217 56.100 -0.017 0.000 0.973 247 R CB -0.247 29.915 30.300 -0.231 0.000 0.869 247 R HN 0.236 nan 8.270 nan 0.000 0.440 248 A N 1.078 123.996 122.820 0.165 0.000 1.858 248 A HA -0.191 4.155 4.320 0.044 0.000 0.216 248 A C 2.332 179.952 177.584 0.060 0.000 1.190 248 A CA 2.113 54.246 52.037 0.160 0.000 0.617 248 A CB -1.125 17.913 19.000 0.064 0.000 0.827 248 A HN 0.487 nan 8.150 nan 0.000 0.443 249 T N -1.545 113.028 114.554 0.031 0.000 2.720 249 T HA -0.185 4.191 4.350 0.044 0.000 0.268 249 T C 1.778 176.491 174.700 0.021 0.000 1.037 249 T CA 1.632 63.738 62.100 0.010 0.000 1.144 249 T CB -0.576 68.294 68.868 0.004 0.000 0.864 249 T HN 0.255 nan 8.240 nan 0.000 0.444 250 L N 0.888 122.135 121.223 0.040 0.000 2.046 250 L HA 0.219 4.586 4.340 0.044 0.000 0.208 250 L C 2.390 179.296 176.870 0.060 0.000 1.077 250 L CA 1.558 56.425 54.840 0.045 0.000 0.747 250 L CB -1.144 40.946 42.059 0.052 0.000 0.896 250 L HN 0.374 nan 8.230 nan 0.000 0.432 251 L N -0.364 120.926 121.223 0.112 0.000 2.083 251 L HA -0.081 4.285 4.340 0.044 0.000 0.209 251 L C 2.431 179.314 176.870 0.021 0.000 1.083 251 L CA 1.860 56.773 54.840 0.121 0.000 0.752 251 L CB -0.719 41.477 42.059 0.228 0.000 0.899 251 L HN 0.287 nan 8.230 nan 0.000 0.433 252 A N 0.175 122.998 122.820 0.004 0.000 1.855 252 A HA -0.254 4.092 4.320 0.044 0.000 0.215 252 A C 2.478 180.042 177.584 -0.033 0.000 1.191 252 A CA 1.750 53.773 52.037 -0.024 0.000 0.613 252 A CB -0.743 18.239 19.000 -0.030 0.000 0.829 252 A HN 0.567 nan 8.150 nan 0.000 0.442 253 R N -0.106 120.379 120.500 -0.025 0.000 2.103 253 R HA -0.118 4.248 4.340 0.044 0.000 0.242 253 R C 1.741 177.999 176.300 -0.070 0.000 1.142 253 R CA 1.907 57.988 56.100 -0.032 0.000 0.960 253 R CB -0.563 29.728 30.300 -0.015 0.000 0.858 253 R HN 0.473 nan 8.270 nan 0.000 0.439 254 L N 1.029 122.187 121.223 -0.109 0.000 2.362 254 L HA -0.058 4.308 4.340 0.044 0.000 0.219 254 L C 1.623 178.240 176.870 -0.422 0.000 1.134 254 L CA 0.709 55.384 54.840 -0.275 0.000 0.807 254 L CB 0.183 42.051 42.059 -0.318 0.000 0.927 254 L HN 0.304 nan 8.230 nan 0.000 0.447 255 V N -4.711 115.075 119.914 -0.214 0.000 3.159 255 V HA 0.564 4.710 4.120 0.044 0.000 0.333 255 V C 0.951 177.019 176.094 -0.044 0.000 1.424 255 V CA 0.176 62.404 62.300 -0.121 0.000 1.125 255 V CB 0.085 31.885 31.823 -0.039 0.000 1.075 255 V HN 0.330 nan 8.190 nan 0.000 0.482 256 G N -0.227 108.545 108.800 -0.047 0.000 2.132 256 G HA2 -0.208 3.778 3.960 0.044 0.000 0.228 256 G HA3 -0.208 3.778 3.960 0.044 0.000 0.228 256 G C 0.038 174.932 174.900 -0.009 0.000 1.000 256 G CA 0.024 45.113 45.100 -0.019 0.000 0.693 256 G HN 0.775 nan 8.290 nan 0.000 0.515 266 D N 1.690 122.085 120.400 -0.008 0.000 2.103 266 D HA -0.146 4.520 4.640 0.044 0.000 0.190 266 D C 1.413 177.707 176.300 -0.011 0.000 0.997 266 D CA 2.059 56.050 54.000 -0.015 0.000 0.833 266 D CB -0.235 40.557 40.800 -0.013 0.000 0.961 266 D HN 0.615 nan 8.370 nan 0.000 0.447 267 T N 1.236 115.789 114.554 -0.000 0.000 2.653 267 T HA -0.209 4.168 4.350 0.044 0.000 0.268 267 T C 1.845 176.552 174.700 0.011 0.000 1.035 267 T CA 1.761 63.867 62.100 0.009 0.000 1.154 267 T CB -0.303 68.572 68.868 0.012 0.000 0.862 267 T HN 0.326 nan 8.240 nan 0.000 0.441 268 E N 0.326 120.530 120.200 0.007 0.000 2.107 268 E HA 0.036 4.412 4.350 0.044 0.000 0.191 268 E C 2.181 178.785 176.600 0.006 0.000 0.982 268 E CA 0.497 56.903 56.400 0.009 0.000 0.809 268 E CB -0.205 29.498 29.700 0.007 0.000 0.756 268 E HN 0.365 nan 8.360 nan 0.000 0.459 269 L N 0.700 121.920 121.223 -0.005 0.000 2.056 269 L HA -0.149 4.217 4.340 0.044 0.000 0.207 269 L C 2.105 178.963 176.870 -0.021 0.000 1.078 269 L CA 1.260 56.090 54.840 -0.017 0.000 0.749 269 L CB -0.009 42.031 42.059 -0.031 0.000 0.901 269 L HN 0.098 nan 8.230 nan 0.000 0.433 270 I N -0.234 120.321 120.570 -0.024 0.000 2.315 270 I HA -0.227 3.969 4.170 0.044 0.000 0.248 270 I C 2.687 178.852 176.117 0.079 0.000 1.117 270 I CA 1.013 62.305 61.300 -0.013 0.000 1.404 270 I CB -0.508 37.483 38.000 -0.016 0.000 1.071 270 I HN 0.330 nan 8.210 nan 0.000 0.419 271 A N -0.226 122.629 122.820 0.059 0.000 1.883 271 A HA -0.320 4.026 4.320 0.044 0.000 0.217 271 A C 2.537 180.160 177.584 0.066 0.000 1.186 271 A CA 2.065 54.141 52.037 0.065 0.000 0.624 271 A CB -1.485 17.540 19.000 0.042 0.000 0.822 271 A HN 0.614 nan 8.150 nan 0.000 0.444 272 c N -0.530 118.098 118.600 0.047 0.000 2.413 272 c HA -0.043 4.553 4.570 0.044 0.000 0.277 272 c C 2.614 176.743 174.090 0.065 0.000 1.265 272 c CA 1.173 57.527 56.329 0.043 0.000 1.752 272 c CB -1.617 40.908 42.510 0.024 0.000 1.998 272 c HN 0.581 nan 8.230 nan 0.000 0.489 273 L N 0.132 121.408 121.223 0.087 0.000 2.093 273 L HA -0.076 4.290 4.340 0.044 0.000 0.208 273 L C 2.912 179.924 176.870 0.237 0.000 1.085 273 L CA 1.345 56.277 54.840 0.153 0.000 0.755 273 L CB -0.654 41.479 42.059 0.123 0.000 0.904 273 L HN 0.315 nan 8.230 nan 0.000 0.435 274 R N -0.519 120.117 120.500 0.228 0.000 2.328 274 R HA -0.105 4.262 4.340 0.044 0.000 0.207 274 R C 1.978 178.314 176.300 0.060 0.000 1.056 274 R CA 1.503 57.683 56.100 0.134 0.000 1.016 274 R CB -0.238 30.130 30.300 0.113 0.000 0.872 274 R HN 0.485 nan 8.270 nan 0.000 0.471 275 T N -2.275 112.318 114.554 0.065 0.000 3.040 275 T HA 0.153 4.529 4.350 0.044 0.000 0.250 275 T C 0.765 175.488 174.700 0.037 0.000 1.058 275 T CA -0.339 61.784 62.100 0.039 0.000 0.988 275 T CB 0.320 69.209 68.868 0.035 0.000 0.993 275 T HN -0.147 nan 8.240 nan 0.000 0.519 276 R N 2.727 123.259 120.500 0.054 0.000 2.308 276 R HA 0.423 4.789 4.340 0.044 0.000 0.305 276 R C -2.751 173.574 176.300 0.043 0.000 1.053 276 R CA -2.587 53.546 56.100 0.054 0.000 0.957 276 R CB 0.137 30.480 30.300 0.072 0.000 1.022 276 R HN 0.256 nan 8.270 nan 0.000 0.461 277 P HA -0.067 nan 4.420 nan 0.000 0.265 277 P C 0.425 177.727 177.300 0.004 0.000 1.187 277 P CA 0.299 63.395 63.100 -0.006 0.000 0.766 277 P CB 0.543 32.248 31.700 0.008 0.000 0.820 278 A N 3.033 125.784 122.820 -0.115 0.000 1.903 278 A HA -0.297 4.049 4.320 0.044 0.000 0.219 278 A C 2.114 179.775 177.584 0.129 0.000 1.191 278 A CA 2.164 54.160 52.037 -0.069 0.000 0.638 278 A CB -1.313 17.109 19.000 -0.964 0.000 0.823 278 A HN 0.575 nan 8.150 nan 0.000 0.451 279 Q N -0.268 119.570 119.800 0.064 0.000 2.364 279 Q HA -0.115 4.251 4.340 0.044 0.000 0.207 279 Q C 1.059 177.206 176.000 0.244 0.000 0.970 279 Q CA 1.592 57.586 55.803 0.318 0.000 0.888 279 Q CB -0.267 28.652 28.738 0.303 0.000 0.951 279 Q HN 0.654 nan 8.270 nan 0.000 0.469 280 D N -0.700 119.809 120.400 0.182 0.000 2.084 280 D HA -0.132 4.535 4.640 0.044 0.000 0.196 280 D C 1.439 177.876 176.300 0.229 0.000 0.985 280 D CA 0.819 54.936 54.000 0.195 0.000 0.826 280 D CB -0.101 40.790 40.800 0.152 0.000 0.978 280 D HN 0.210 nan 8.370 nan 0.000 0.456 281 L N 0.576 121.900 121.223 0.169 0.000 1.989 281 L HA -0.145 4.221 4.340 0.044 0.000 0.211 281 L C 2.563 179.518 176.870 0.142 0.000 1.071 281 L CA 1.035 55.931 54.840 0.093 0.000 0.749 281 L CB -1.131 40.865 42.059 -0.106 0.000 0.890 281 L HN -0.024 nan 8.230 nan 0.000 0.431 282 V N -0.228 119.831 119.914 0.241 0.000 2.392 282 V HA -0.314 3.833 4.120 0.044 0.000 0.249 282 V C 2.211 178.439 176.094 0.224 0.000 1.059 282 V CA 1.797 64.276 62.300 0.298 0.000 1.051 282 V CB -0.633 31.466 31.823 0.459 0.000 0.658 282 V HN 0.407 nan 8.190 nan 0.000 0.455 283 D N -0.921 119.594 120.400 0.192 0.000 2.182 283 D HA -0.160 4.506 4.640 0.044 0.000 0.201 283 D C 1.883 178.086 176.300 -0.161 0.000 0.986 283 D CA 1.566 55.596 54.000 0.051 0.000 0.847 283 D CB -0.173 40.645 40.800 0.029 0.000 0.942 283 D HN 0.647 nan 8.370 nan 0.000 0.467 284 H N -1.001 118.113 119.070 0.073 0.000 2.827 284 H HA 0.196 4.778 4.556 0.044 0.000 0.269 284 H C 1.541 176.905 175.328 0.059 0.000 1.031 284 H CA -0.117 55.968 56.048 0.060 0.000 1.202 284 H CB 0.669 30.523 29.762 0.153 0.000 1.511 284 H HN 0.038 nan 8.280 nan 0.000 0.517 285 E N 0.368 120.685 120.200 0.195 0.000 2.095 285 E HA -0.276 4.100 4.350 0.044 0.000 0.212 285 E C 1.182 177.955 176.600 0.289 0.000 1.044 285 E CA 1.527 58.114 56.400 0.313 0.000 0.857 285 E CB -0.101 29.730 29.700 0.218 0.000 0.764 285 E HN 0.524 nan 8.360 nan 0.000 0.462 286 W N 0.715 121.915 121.300 -0.166 0.000 2.800 286 W HA -0.002 4.684 4.660 0.043 0.000 0.249 286 W C 0.842 177.315 176.519 -0.077 0.000 1.294 286 W CA 0.919 58.140 57.345 -0.206 0.000 1.402 286 W CB -0.295 28.937 29.460 -0.379 0.000 1.126 286 W HN 0.296 nan 8.180 nan 0.000 0.652 287 H N -0.924 118.286 119.070 0.233 0.000 2.539 287 H HA 0.005 4.587 4.556 0.043 0.000 0.269 287 H C 1.936 177.328 175.328 0.107 0.000 0.980 287 H CA 0.695 56.811 56.048 0.114 0.000 1.152 287 H CB 0.316 30.149 29.762 0.118 0.000 1.407 287 H HN 0.001 nan 8.280 nan 0.000 0.564 288 V N -1.539 118.499 119.914 0.206 0.000 3.649 288 V HA 0.142 4.288 4.120 0.044 0.000 0.275 288 V C 0.623 176.736 176.094 0.032 0.000 1.281 288 V CA -0.088 62.270 62.300 0.098 0.000 1.143 288 V CB -0.512 31.337 31.823 0.044 0.000 0.892 288 V HN 0.154 nan 8.190 nan 0.000 0.441 289 L N 1.774 123.039 121.223 0.069 0.000 2.499 289 L HA 0.179 4.545 4.340 0.044 0.000 0.273 289 L C -0.701 176.185 176.870 0.026 0.000 1.195 289 L CA -0.918 53.947 54.840 0.040 0.000 0.882 289 L CB 0.503 42.622 42.059 0.100 0.000 1.133 289 L HN 0.143 nan 8.230 nan 0.000 0.483 290 P HA -0.096 nan 4.420 nan 0.000 0.220 290 P C -0.467 176.837 177.300 0.006 0.000 1.148 290 P CA 1.123 64.223 63.100 0.001 0.000 0.803 290 P CB 0.366 32.061 31.700 -0.009 0.000 0.782 291 Q N -1.982 117.825 119.800 0.011 0.000 2.544 291 Q HA 0.304 4.670 4.340 0.044 0.000 0.291 291 Q C -0.666 175.346 176.000 0.019 0.000 1.068 291 Q CA -0.770 55.040 55.803 0.011 0.000 0.785 291 Q CB 1.292 30.036 28.738 0.009 0.000 1.481 291 Q HN -0.109 nan 8.270 nan 0.000 0.430 292 E N 1.110 121.318 120.200 0.013 0.000 2.265 292 E HA 0.312 4.689 4.350 0.044 0.000 0.272 292 E C -1.049 175.572 176.600 0.035 0.000 1.067 292 E CA 0.080 56.492 56.400 0.019 0.000 0.900 292 E CB 0.361 30.066 29.700 0.009 0.000 1.017 292 E HN 0.611 nan 8.360 nan 0.000 0.431 293 S N 3.780 119.515 115.700 0.058 0.000 2.671 293 S HA 0.700 5.196 4.470 0.044 0.000 0.277 293 S C -0.244 174.412 174.600 0.094 0.000 1.165 293 S CA -1.004 57.230 58.200 0.057 0.000 0.822 293 S CB 1.055 64.272 63.200 0.028 0.000 1.150 293 S HN 0.534 nan 8.310 nan 0.000 0.479 294 I N -3.411 117.203 120.570 0.073 0.000 3.206 294 I HA 0.750 4.947 4.170 0.044 0.000 0.313 294 I C -0.381 175.724 176.117 -0.019 0.000 1.103 294 I CA -1.338 60.022 61.300 0.099 0.000 0.985 294 I CB 0.843 38.955 38.000 0.186 0.000 1.240 294 I HN 0.664 nan 8.210 nan 0.000 0.464 295 F N 1.184 120.949 119.950 -0.308 0.000 3.004 295 F HA -0.216 4.337 4.527 0.043 0.000 0.264 295 F C 0.012 175.231 175.800 -0.968 0.000 0.979 295 F CA 0.954 58.474 58.000 -0.800 0.000 0.896 295 F CB -0.765 37.640 39.000 -0.992 0.000 0.813 295 F HN 0.680 nan 8.300 nan 0.000 0.804 296 R N 0.622 120.558 120.500 -0.940 0.000 2.584 296 R HA 0.674 5.041 4.340 0.044 0.000 0.276 296 R C -1.562 174.211 176.300 -0.878 0.000 1.046 296 R CA -0.441 55.202 56.100 -0.762 0.000 0.906 296 R CB 1.100 31.259 30.300 -0.236 0.000 1.215 296 R HN -0.029 nan 8.270 nan 0.000 0.449 297 F N 0.819 120.816 119.950 0.078 0.000 2.576 297 F HA 0.399 4.952 4.527 0.043 0.000 0.313 297 F C 1.093 176.874 175.800 -0.031 0.000 1.078 297 F CA -0.885 57.123 58.000 0.012 0.000 0.921 297 F CB 2.411 41.505 39.000 0.156 0.000 1.232 297 F HN 0.440 nan 8.300 nan 0.000 0.459 298 S N 0.653 116.394 115.700 0.068 0.000 2.371 298 S HA 0.070 4.566 4.470 0.044 0.000 0.224 298 S C -0.127 174.134 174.600 -0.564 0.000 1.029 298 S CA 1.032 59.079 58.200 -0.255 0.000 0.978 298 S CB -0.170 62.889 63.200 -0.236 0.000 0.833 298 S HN 0.374 nan 8.310 nan 0.000 0.466 299 F N 1.418 121.460 119.950 0.153 0.000 2.513 299 F HA 0.535 5.088 4.527 0.044 0.000 0.358 299 F C -0.136 175.677 175.800 0.023 0.000 1.118 299 F CA -0.980 57.102 58.000 0.137 0.000 1.037 299 F CB 1.391 40.515 39.000 0.206 0.000 1.276 299 F HN -0.123 nan 8.300 nan 0.000 0.446 300 V N 0.517 120.378 119.914 -0.089 0.000 3.158 300 V HA 0.786 4.933 4.120 0.044 0.000 0.311 300 V C -2.884 172.802 176.094 -0.681 0.000 1.181 300 V CA -3.338 58.526 62.300 -0.728 0.000 1.054 300 V CB 2.057 33.638 31.823 -0.404 0.000 1.085 300 V HN 0.238 nan 8.190 nan 0.000 0.446 301 P HA 0.181 nan 4.420 nan 0.000 0.266 301 P C -0.769 176.401 177.300 -0.216 0.000 1.193 301 P CA 0.365 63.209 63.100 -0.427 0.000 0.770 301 P CB 0.601 31.981 31.700 -0.533 0.000 0.836 302 V N 4.384 124.250 119.914 -0.080 0.000 2.555 302 V HA 0.225 4.371 4.120 0.044 0.000 0.302 302 V C -0.387 175.689 176.094 -0.029 0.000 1.038 302 V CA -0.959 61.313 62.300 -0.045 0.000 0.887 302 V CB 2.097 33.924 31.823 0.006 0.000 0.991 302 V HN 0.148 nan 8.190 nan 0.000 0.434 303 V N 7.463 127.359 119.914 -0.031 0.000 2.393 303 V HA 0.137 4.283 4.120 0.044 0.000 0.257 303 V C 0.862 176.961 176.094 0.009 0.000 1.040 303 V CA 0.521 62.815 62.300 -0.009 0.000 1.097 303 V CB 0.103 31.913 31.823 -0.021 0.000 1.101 303 V HN 1.056 nan 8.190 nan 0.000 0.479 304 D N 2.803 123.223 120.400 0.033 0.000 2.369 304 D HA 0.128 4.794 4.640 0.044 0.000 0.211 304 D C 1.550 177.873 176.300 0.038 0.000 1.077 304 D CA 0.575 54.598 54.000 0.039 0.000 0.842 304 D CB 0.415 41.250 40.800 0.059 0.000 0.947 304 D HN 0.668 nan 8.370 nan 0.000 0.509 305 G N 0.718 109.540 108.800 0.036 0.000 2.175 305 G HA2 -0.355 3.631 3.960 0.044 0.000 0.265 305 G HA3 -0.355 3.631 3.960 0.044 0.000 0.265 305 G C 0.489 175.410 174.900 0.034 0.000 0.979 305 G CA 0.929 46.046 45.100 0.027 0.000 0.663 305 G HN 0.537 nan 8.290 nan 0.000 0.533 306 D N -1.465 118.970 120.400 0.060 0.000 3.013 306 D HA 0.226 4.893 4.640 0.044 0.000 0.235 306 D C 1.813 178.164 176.300 0.084 0.000 1.540 306 D CA 0.352 54.391 54.000 0.065 0.000 1.303 306 D CB -0.569 40.280 40.800 0.081 0.000 0.980 306 D HN 0.081 nan 8.370 nan 0.000 0.250 307 F N 1.150 121.100 119.950 0.001 0.000 2.095 307 F HA 0.109 4.662 4.527 0.044 0.000 0.298 307 F C 0.605 176.395 175.800 -0.016 0.000 1.104 307 F CA 1.240 59.237 58.000 -0.006 0.000 1.232 307 F CB 0.095 39.087 39.000 -0.014 0.000 0.987 307 F HN -0.017 nan 8.300 nan 0.000 0.475 308 L N 0.870 122.249 121.223 0.260 0.000 2.283 308 L HA 0.199 4.565 4.340 0.044 0.000 0.281 308 L C 1.433 178.340 176.870 0.061 0.000 1.033 308 L CA -0.169 54.752 54.840 0.135 0.000 0.848 308 L CB 1.235 43.364 42.059 0.116 0.000 1.226 308 L HN 0.077 nan 8.230 nan 0.000 0.429 309 S N 0.411 116.127 115.700 0.027 0.000 2.419 309 S HA -0.065 4.431 4.470 0.044 0.000 0.233 309 S C 0.525 175.131 174.600 0.009 0.000 1.016 309 S CA 0.727 58.934 58.200 0.011 0.000 0.974 309 S CB 0.129 63.326 63.200 -0.006 0.000 0.786 309 S HN 0.716 nan 8.310 nan 0.000 0.492 310 D N 0.032 120.439 120.400 0.011 0.000 2.759 310 D HA 0.310 4.976 4.640 0.044 0.000 0.321 310 D C -0.753 175.548 176.300 0.002 0.000 1.267 310 D CA 0.065 54.067 54.000 0.004 0.000 0.933 310 D CB 1.453 42.253 40.800 0.000 0.000 1.431 310 D HN 0.249 nan 8.370 nan 0.000 0.504 311 T N -1.014 113.534 114.554 -0.010 0.000 2.903 311 T HA 0.215 4.591 4.350 0.044 0.000 0.314 311 T C -1.821 172.868 174.700 -0.018 0.000 1.078 311 T CA -0.689 61.397 62.100 -0.023 0.000 1.114 311 T CB 0.957 69.805 68.868 -0.033 0.000 0.987 311 T HN 0.105 nan 8.240 nan 0.000 0.548 312 P HA -0.155 nan 4.420 nan 0.000 0.215 312 P C 1.771 179.059 177.300 -0.020 0.000 1.157 312 P CA 1.163 64.244 63.100 -0.032 0.000 0.868 312 P CB 0.033 31.682 31.700 -0.084 0.000 0.788 313 E N 0.271 120.448 120.200 -0.039 0.000 2.058 313 E HA -0.220 4.156 4.350 0.044 0.000 0.194 313 E C 2.080 178.682 176.600 0.002 0.000 0.997 313 E CA 1.790 58.175 56.400 -0.025 0.000 0.801 313 E CB -1.571 28.106 29.700 -0.039 0.000 0.746 313 E HN 0.169 nan 8.360 nan 0.000 0.450 314 A N 2.171 124.991 122.820 -0.001 0.000 1.873 314 A HA -0.160 4.186 4.320 0.044 0.000 0.218 314 A C 2.550 180.151 177.584 0.029 0.000 1.193 314 A CA 1.752 53.794 52.037 0.008 0.000 0.629 314 A CB -0.932 18.068 19.000 -0.000 0.000 0.826 314 A HN 0.225 nan 8.150 nan 0.000 0.447 315 L N -0.167 121.080 121.223 0.040 0.000 2.093 315 L HA -0.146 4.220 4.340 0.044 0.000 0.208 315 L C 2.592 179.561 176.870 0.166 0.000 1.085 315 L CA 1.554 56.438 54.840 0.074 0.000 0.755 315 L CB -0.644 41.461 42.059 0.077 0.000 0.904 315 L HN 0.705 nan 8.230 nan 0.000 0.435 316 I N -3.109 117.562 120.570 0.167 0.000 2.617 316 I HA -0.095 4.101 4.170 0.044 0.000 0.256 316 I C 1.892 178.146 176.117 0.229 0.000 1.167 316 I CA 1.090 62.546 61.300 0.260 0.000 1.469 316 I CB -0.378 37.669 38.000 0.079 0.000 1.098 316 I HN 0.154 nan 8.210 nan 0.000 0.436 317 N N 1.524 120.293 118.700 0.116 0.000 2.331 317 N HA -0.107 4.659 4.740 0.044 0.000 0.180 317 N C 1.815 177.364 175.510 0.065 0.000 1.019 317 N CA 2.074 55.173 53.050 0.081 0.000 0.881 317 N CB -0.215 38.297 38.487 0.042 0.000 0.972 317 N HN 0.692 nan 8.380 nan 0.000 0.435 318 T N -3.958 110.623 114.554 0.044 0.000 3.003 318 T HA 0.303 4.679 4.350 0.044 0.000 0.261 318 T C 0.921 175.562 174.700 -0.097 0.000 1.003 318 T CA -0.353 61.738 62.100 -0.015 0.000 0.917 318 T CB 0.062 68.917 68.868 -0.021 0.000 1.084 318 T HN 0.030 nan 8.240 nan 0.000 0.522 319 G N 1.059 109.773 108.800 -0.144 0.000 2.544 319 G HA2 0.401 4.387 3.960 0.044 0.000 0.242 319 G HA3 0.401 4.387 3.960 0.044 0.000 0.242 319 G C -1.006 173.416 174.900 -0.797 0.000 1.247 319 G CA -0.345 44.404 45.100 -0.585 0.000 0.840 319 G HN 0.321 nan 8.290 nan 0.000 0.578 320 D N 0.467 120.397 120.400 -0.784 0.000 2.329 320 D HA 0.356 5.023 4.640 0.044 0.000 0.232 320 D C -0.475 175.449 176.300 -0.626 0.000 1.088 320 D CA -0.726 52.956 54.000 -0.531 0.000 0.835 320 D CB 0.718 41.362 40.800 -0.259 0.000 1.078 320 D HN 0.100 nan 8.370 nan 0.000 0.495 321 F N 2.397 122.349 119.950 0.003 0.000 2.855 321 F HA 0.194 4.747 4.527 0.044 0.000 0.317 321 F C 1.953 177.756 175.800 0.004 0.000 1.169 321 F CA -0.513 57.492 58.000 0.008 0.000 1.299 321 F CB 0.436 39.449 39.000 0.022 0.000 0.962 321 F HN 0.282 nan 8.300 nan 0.000 0.506 322 Q N 0.423 120.272 119.800 0.081 0.000 2.077 322 Q HA -0.256 4.110 4.340 0.044 0.000 0.206 322 Q C 1.342 177.373 176.000 0.053 0.000 0.989 322 Q CA 1.964 57.798 55.803 0.051 0.000 0.853 322 Q CB -0.319 28.422 28.738 0.006 0.000 0.907 322 Q HN 0.439 nan 8.270 nan 0.000 0.418 323 D N -0.455 119.970 120.400 0.041 0.000 2.324 323 D HA 0.031 4.697 4.640 0.044 0.000 0.235 323 D C -0.625 175.694 176.300 0.032 0.000 1.095 323 D CA -0.008 54.003 54.000 0.019 0.000 0.871 323 D CB 0.110 40.903 40.800 -0.011 0.000 0.906 323 D HN -0.089 nan 8.370 nan 0.000 0.522 324 L N 0.764 122.032 121.223 0.075 0.000 2.346 324 L HA 0.504 4.870 4.340 0.044 0.000 0.274 324 L C -1.265 175.666 176.870 0.101 0.000 1.007 324 L CA -0.520 54.376 54.840 0.093 0.000 0.818 324 L CB 1.909 44.060 42.059 0.154 0.000 1.284 324 L HN -0.176 nan 8.230 nan 0.000 0.424 325 Q N 3.093 122.966 119.800 0.120 0.000 2.337 325 Q HA 0.796 5.163 4.340 0.044 0.000 0.266 325 Q C -1.438 174.790 176.000 0.379 0.000 1.023 325 Q CA -0.523 55.402 55.803 0.203 0.000 0.829 325 Q CB 2.662 31.480 28.738 0.134 0.000 1.306 325 Q HN 0.441 nan 8.270 nan 0.000 0.449 326 V N 2.268 122.394 119.914 0.353 0.000 2.760 326 V HA 0.508 4.654 4.120 0.044 0.000 0.309 326 V C -1.481 174.591 176.094 -0.037 0.000 1.077 326 V CA -0.871 61.562 62.300 0.221 0.000 0.910 326 V CB 2.030 33.887 31.823 0.055 0.000 1.008 326 V HN 0.627 nan 8.190 nan 0.000 0.424 327 L N 6.622 127.612 121.223 -0.389 0.000 2.305 327 L HA 0.892 5.258 4.340 0.044 0.000 0.284 327 L C -0.484 176.257 176.870 -0.214 0.000 1.013 327 L CA -0.163 54.342 54.840 -0.559 0.000 0.819 327 L CB 1.608 42.873 42.059 -1.323 0.000 1.227 327 L HN 0.631 nan 8.230 nan 0.000 0.417 328 V N 2.107 121.957 119.914 -0.107 0.000 2.962 328 V HA 1.132 5.278 4.120 0.044 0.000 0.313 328 V C -0.240 175.624 176.094 -0.384 0.000 1.099 328 V CA 0.207 62.427 62.300 -0.133 0.000 0.971 328 V CB 1.288 33.008 31.823 -0.172 0.000 1.028 328 V HN 1.083 nan 8.190 nan 0.000 0.430 329 G N 0.938 109.358 108.800 -0.634 0.000 2.451 329 G HA2 0.770 4.756 3.960 0.044 0.000 0.292 329 G HA3 0.770 4.756 3.960 0.044 0.000 0.292 329 G C -1.218 173.359 174.900 -0.539 0.000 1.427 329 G CA 0.075 44.353 45.100 -1.369 0.000 0.792 329 G HN 2.086 nan 8.290 nan 0.000 0.498 330 V N -2.431 117.334 119.914 -0.249 0.000 3.181 330 V HA 0.925 5.071 4.120 0.044 0.000 0.308 330 V C 0.285 176.592 176.094 0.355 0.000 1.214 330 V CA -0.418 61.954 62.300 0.120 0.000 1.053 330 V CB 1.124 32.985 31.823 0.063 0.000 1.069 330 V HN 1.885 nan 8.190 nan 0.000 0.441 331 V N -0.610 119.521 119.914 0.362 0.000 3.109 331 V HA 0.567 4.714 4.120 0.044 0.000 0.317 331 V C 1.376 177.672 176.094 0.336 0.000 1.074 331 V CA 0.047 62.605 62.300 0.431 0.000 1.033 331 V CB 1.291 33.357 31.823 0.405 0.000 1.111 331 V HN 1.104 nan 8.190 nan 0.000 0.458 332 K N -0.249 120.349 120.400 0.329 0.000 2.211 332 K HA -0.045 4.301 4.320 0.044 0.000 0.203 332 K C 0.283 177.015 176.600 0.221 0.000 1.050 332 K CA 1.737 58.171 56.287 0.246 0.000 0.945 332 K CB 0.098 32.722 32.500 0.207 0.000 0.732 332 K HN 0.905 nan 8.250 nan 0.000 0.451 333 D N 1.041 121.582 120.400 0.235 0.000 2.861 333 D HA 0.026 4.693 4.640 0.044 0.000 0.357 333 D C 0.026 176.473 176.300 0.245 0.000 1.250 333 D CA -0.093 54.036 54.000 0.215 0.000 0.802 333 D CB 1.204 42.109 40.800 0.175 0.000 1.141 333 D HN 0.122 nan 8.370 nan 0.000 0.489 334 E N 0.450 120.803 120.200 0.255 0.000 2.219 334 E HA -0.147 4.229 4.350 0.044 0.000 0.198 334 E C 1.882 178.673 176.600 0.317 0.000 0.998 334 E CA 0.865 57.443 56.400 0.296 0.000 0.818 334 E CB 0.173 30.001 29.700 0.214 0.000 0.741 334 E HN 0.445 nan 8.360 nan 0.000 0.477 335 G N 0.703 109.657 108.800 0.258 0.000 2.662 335 G HA2 -0.137 3.849 3.960 0.044 0.000 0.212 335 G HA3 -0.137 3.849 3.960 0.044 0.000 0.212 335 G C 1.699 176.795 174.900 0.326 0.000 1.141 335 G CA 0.717 45.983 45.100 0.277 0.000 0.797 335 G HN 0.366 nan 8.290 nan 0.000 0.531 336 S N 0.342 116.191 115.700 0.248 0.000 2.359 336 S HA -0.293 4.203 4.470 0.044 0.000 0.222 336 S C 2.087 176.753 174.600 0.111 0.000 1.038 336 S CA 1.473 59.776 58.200 0.172 0.000 1.051 336 S CB -1.062 62.126 63.200 -0.020 0.000 0.944 336 S HN 0.420 nan 8.310 nan 0.000 0.433 337 Y N 1.511 121.730 120.300 -0.135 0.000 2.132 337 Y HA -0.273 4.303 4.550 0.043 0.000 0.280 337 Y C 1.937 177.739 175.900 -0.163 0.000 1.193 337 Y CA 2.157 60.045 58.100 -0.354 0.000 1.157 337 Y CB -0.460 37.686 38.460 -0.522 0.000 0.966 337 Y HN 0.307 nan 8.280 nan 0.000 0.511 338 F N -0.908 119.191 119.950 0.247 0.000 2.558 338 F HA -0.129 4.424 4.527 0.043 0.000 0.298 338 F C 1.897 177.835 175.800 0.230 0.000 1.119 338 F CA 0.689 58.812 58.000 0.204 0.000 1.451 338 F CB -0.370 38.642 39.000 0.019 0.000 1.091 338 F HN 0.016 nan 8.300 nan 0.000 0.563 339 L N -0.140 121.256 121.223 0.289 0.000 2.093 339 L HA -0.131 4.235 4.340 0.044 0.000 0.208 339 L C 2.455 179.461 176.870 0.225 0.000 1.085 339 L CA 1.006 55.887 54.840 0.068 0.000 0.755 339 L CB -0.872 40.975 42.059 -0.354 0.000 0.904 339 L HN 0.164 nan 8.230 nan 0.000 0.435 340 V N -4.302 115.813 119.914 0.334 0.000 3.305 340 V HA -0.195 3.951 4.120 0.044 0.000 0.269 340 V C 1.265 177.435 176.094 0.127 0.000 1.157 340 V CA 1.019 63.497 62.300 0.297 0.000 1.157 340 V CB -1.149 30.861 31.823 0.311 0.000 0.772 340 V HN 0.333 nan 8.190 nan 0.000 0.498 341 Y N 1.361 121.811 120.300 0.249 0.000 2.625 341 Y HA 0.667 5.243 4.550 0.043 0.000 0.285 341 Y C 1.685 177.712 175.900 0.210 0.000 1.168 341 Y CA 0.327 58.575 58.100 0.246 0.000 1.250 341 Y CB 0.748 39.388 38.460 0.299 0.000 1.130 341 Y HN 0.396 nan 8.280 nan 0.000 0.526 342 G N -1.424 107.537 108.800 0.268 0.000 4.111 342 G HA2 -0.057 3.929 3.960 0.044 0.000 0.216 342 G HA3 -0.057 3.929 3.960 0.044 0.000 0.216 342 G C -0.748 174.250 174.900 0.163 0.000 0.822 342 G CA -0.406 44.809 45.100 0.192 0.000 0.845 342 G HN -0.063 nan 8.290 nan 0.000 0.533 343 V N 3.171 123.204 119.914 0.198 0.000 2.368 343 V HA 0.385 4.531 4.120 0.044 0.000 0.266 343 V C -2.055 174.245 176.094 0.344 0.000 1.045 343 V CA -1.631 60.811 62.300 0.236 0.000 0.899 343 V CB 1.086 33.005 31.823 0.160 0.000 1.006 343 V HN 0.046 nan 8.190 nan 0.000 0.470 344 P HA 0.210 nan 4.420 nan 0.000 0.261 344 P C 1.044 178.425 177.300 0.135 0.000 1.183 344 P CA 1.389 64.580 63.100 0.152 0.000 0.761 344 P CB 0.579 32.334 31.700 0.092 0.000 0.785 345 G N 1.777 110.592 108.800 0.025 0.000 2.253 345 G HA2 -0.200 3.786 3.960 0.044 0.000 0.209 345 G HA3 -0.200 3.786 3.960 0.044 0.000 0.209 345 G C -0.214 174.450 174.900 -0.393 0.000 0.997 345 G CA -0.627 44.347 45.100 -0.211 0.000 0.640 345 G HN 0.396 nan 8.290 nan 0.000 0.496 346 F N 1.767 121.722 119.950 0.008 0.000 2.420 346 F HA 0.783 5.335 4.527 0.042 0.000 0.342 346 F C 0.562 176.449 175.800 0.144 0.000 1.113 346 F CA -0.150 57.869 58.000 0.030 0.000 1.059 346 F CB 2.265 41.337 39.000 0.119 0.000 1.128 346 F HN 0.182 nan 8.300 nan 0.000 0.475 347 S N 1.993 117.906 115.700 0.355 0.000 2.537 347 S HA 0.278 4.775 4.470 0.044 0.000 0.270 347 S C 0.217 175.108 174.600 0.484 0.000 1.142 347 S CA -0.922 57.496 58.200 0.362 0.000 0.870 347 S CB 1.362 64.677 63.200 0.192 0.000 1.112 347 S HN 0.771 nan 8.310 nan 0.000 0.466 348 K N 1.629 122.220 120.400 0.319 0.000 2.504 348 K HA 0.080 4.426 4.320 0.044 0.000 0.195 348 K C 0.111 176.734 176.600 0.038 0.000 1.036 348 K CA 1.083 57.463 56.287 0.155 0.000 0.984 348 K CB -0.050 32.290 32.500 -0.267 0.000 0.788 348 K HN 0.464 nan 8.250 nan 0.000 0.488 349 D N 1.049 121.471 120.400 0.037 0.000 2.338 349 D HA -0.034 4.632 4.640 0.044 0.000 0.224 349 D C 0.271 176.599 176.300 0.047 0.000 0.967 349 D CA 0.526 54.514 54.000 -0.020 0.000 0.896 349 D CB -0.031 40.732 40.800 -0.061 0.000 1.028 349 D HN 0.417 nan 8.370 nan 0.000 0.493 350 N N 0.355 119.095 118.700 0.067 0.000 2.448 350 N HA 0.080 4.846 4.740 0.044 0.000 0.274 350 N C 0.386 175.918 175.510 0.036 0.000 1.239 350 N CA -0.357 52.708 53.050 0.024 0.000 0.982 350 N CB 0.481 38.944 38.487 -0.040 0.000 1.199 350 N HN -0.223 nan 8.380 nan 0.000 0.576 351 E N -0.980 119.180 120.200 -0.067 0.000 2.494 351 E HA 0.034 4.410 4.350 0.044 0.000 0.193 351 E C -0.509 175.739 176.600 -0.586 0.000 1.074 351 E CA -0.040 56.262 56.400 -0.163 0.000 0.867 351 E CB -0.271 29.382 29.700 -0.078 0.000 0.924 351 E HN 0.561 nan 8.360 nan 0.000 0.502 352 S N 0.444 115.802 115.700 -0.570 0.000 3.581 352 S HA -0.191 4.305 4.470 0.044 0.000 0.354 352 S C 0.204 174.358 174.600 -0.743 0.000 1.059 352 S CA 0.220 57.933 58.200 -0.810 0.000 1.060 352 S CB -1.394 60.997 63.200 -1.349 0.000 0.908 352 S HN 0.339 nan 8.310 nan 0.000 0.475 353 L N 1.600 122.548 121.223 -0.459 0.000 2.410 353 L HA 0.473 4.839 4.340 0.044 0.000 0.273 353 L C 0.757 177.427 176.870 -0.333 0.000 1.144 353 L CA -0.012 54.627 54.840 -0.336 0.000 0.863 353 L CB 0.272 42.204 42.059 -0.212 0.000 1.140 353 L HN 0.450 nan 8.230 nan 0.000 0.463 354 I N -0.096 120.296 120.570 -0.297 0.000 3.170 354 I HA 0.705 4.901 4.170 0.044 0.000 0.312 354 I C 0.161 176.215 176.117 -0.106 0.000 1.085 354 I CA -0.694 60.463 61.300 -0.238 0.000 0.999 354 I CB 2.196 40.025 38.000 -0.284 0.000 1.233 354 I HN 0.558 nan 8.210 nan 0.000 0.467 355 S N 1.324 116.994 115.700 -0.049 0.000 2.722 355 S HA 0.448 4.944 4.470 0.044 0.000 0.292 355 S C 0.782 175.419 174.600 0.062 0.000 1.135 355 S CA -0.663 57.534 58.200 -0.004 0.000 1.003 355 S CB 1.892 65.091 63.200 -0.002 0.000 1.067 355 S HN 0.873 nan 8.310 nan 0.000 0.546 356 R N 0.380 120.919 120.500 0.065 0.000 2.120 356 R HA -0.062 4.304 4.340 0.044 0.000 0.234 356 R C 2.205 178.607 176.300 0.170 0.000 1.123 356 R CA 1.584 57.764 56.100 0.133 0.000 0.975 356 R CB -1.006 29.344 30.300 0.083 0.000 0.866 356 R HN 0.832 nan 8.270 nan 0.000 0.446 357 A N 0.345 123.225 122.820 0.101 0.000 1.898 357 A HA -0.176 4.170 4.320 0.044 0.000 0.216 357 A C 2.006 179.641 177.584 0.085 0.000 1.181 357 A CA 1.330 53.415 52.037 0.080 0.000 0.620 357 A CB -0.379 18.651 19.000 0.050 0.000 0.819 357 A HN 0.480 nan 8.150 nan 0.000 0.442 358 Q N -1.777 118.080 119.800 0.095 0.000 2.167 358 Q HA -0.103 4.263 4.340 0.044 0.000 0.202 358 Q C 1.850 177.960 176.000 0.183 0.000 0.970 358 Q CA 1.445 57.312 55.803 0.107 0.000 0.855 358 Q CB -0.274 28.503 28.738 0.065 0.000 0.911 358 Q HN 0.803 nan 8.270 nan 0.000 0.438 359 F N 1.032 121.025 119.950 0.070 0.000 2.134 359 F HA -0.210 4.347 4.527 0.050 0.000 0.299 359 F C 1.681 177.530 175.800 0.081 0.000 1.097 359 F CA 1.034 59.091 58.000 0.095 0.000 1.264 359 F CB 0.094 39.133 39.000 0.065 0.000 1.001 359 F HN -0.030 nan 8.300 nan 0.000 0.479 360 L N 0.174 121.326 121.223 -0.119 0.000 2.056 360 L HA -0.176 4.190 4.340 0.044 0.000 0.207 360 L C 2.901 179.687 176.870 -0.139 0.000 1.078 360 L CA 1.158 55.873 54.840 -0.208 0.000 0.749 360 L CB -1.644 40.391 42.059 -0.040 0.000 0.901 360 L HN 0.275 nan 8.230 nan 0.000 0.433 361 A N 0.900 123.697 122.820 -0.040 0.000 1.883 361 A HA -0.151 4.195 4.320 0.044 0.000 0.217 361 A C 2.447 180.025 177.584 -0.011 0.000 1.186 361 A CA 1.893 53.927 52.037 -0.006 0.000 0.624 361 A CB -1.340 17.681 19.000 0.035 0.000 0.822 361 A HN 0.435 nan 8.150 nan 0.000 0.444 362 G N -0.579 108.229 108.800 0.013 0.000 2.469 362 G HA2 -0.187 3.800 3.960 0.044 0.000 0.219 362 G HA3 -0.187 3.800 3.960 0.044 0.000 0.219 362 G C 1.511 176.373 174.900 -0.063 0.000 1.150 362 G CA 1.336 46.456 45.100 0.033 0.000 0.763 362 G HN 0.355 nan 8.290 nan 0.000 0.561 363 V N 1.101 120.896 119.914 -0.199 0.000 2.407 363 V HA -0.144 4.002 4.120 0.044 0.000 0.248 363 V C 2.933 178.971 176.094 -0.093 0.000 1.055 363 V CA 1.754 63.934 62.300 -0.200 0.000 1.049 363 V CB -0.372 31.241 31.823 -0.350 0.000 0.662 363 V HN 0.278 nan 8.190 nan 0.000 0.455 364 R N -0.332 120.125 120.500 -0.071 0.000 2.148 364 R HA 0.078 4.444 4.340 0.044 0.000 0.223 364 R C 1.977 178.269 176.300 -0.013 0.000 1.088 364 R CA 1.151 57.231 56.100 -0.034 0.000 0.985 364 R CB -0.643 29.643 30.300 -0.024 0.000 0.880 364 R HN 0.469 nan 8.270 nan 0.000 0.451 365 I N -0.332 120.235 120.570 -0.005 0.000 2.429 365 I HA -0.027 4.169 4.170 0.044 0.000 0.247 365 I C 2.360 178.490 176.117 0.022 0.000 1.099 365 I CA 1.193 62.505 61.300 0.019 0.000 1.422 365 I CB -0.486 37.538 38.000 0.041 0.000 1.112 365 I HN 0.162 nan 8.210 nan 0.000 0.430 366 G N 0.434 109.239 108.800 0.008 0.000 2.422 366 G HA2 -0.086 3.901 3.960 0.044 0.000 0.218 366 G HA3 -0.086 3.901 3.960 0.044 0.000 0.218 366 G C 0.896 175.806 174.900 0.017 0.000 1.140 366 G CA 0.500 45.607 45.100 0.012 0.000 0.775 366 G HN 0.244 nan 8.290 nan 0.000 0.545 367 V N 2.241 122.144 119.914 -0.018 0.000 2.446 367 V HA 0.209 4.355 4.120 0.044 0.000 0.257 367 V C -1.360 174.725 176.094 -0.015 0.000 1.036 367 V CA -1.071 61.191 62.300 -0.063 0.000 1.196 367 V CB 1.314 33.081 31.823 -0.092 0.000 1.446 367 V HN 0.112 nan 8.190 nan 0.000 0.558 368 P HA -0.162 nan 4.420 nan 0.000 0.223 368 P C 0.803 178.110 177.300 0.011 0.000 1.144 368 P CA 1.118 64.226 63.100 0.014 0.000 0.783 368 P CB 0.417 32.130 31.700 0.021 0.000 0.771 369 Q N -0.352 119.459 119.800 0.018 0.000 2.408 369 Q HA 0.299 4.665 4.340 0.044 0.000 0.205 369 Q C 1.121 177.119 176.000 -0.003 0.000 0.919 369 Q CA 0.079 55.889 55.803 0.012 0.000 0.932 369 Q CB -0.718 28.038 28.738 0.030 0.000 1.058 369 Q HN 0.106 nan 8.270 nan 0.000 0.517 370 A N 1.675 124.489 122.820 -0.010 0.000 2.520 370 A HA 0.387 4.733 4.320 0.044 0.000 0.245 370 A C 0.565 178.139 177.584 -0.017 0.000 1.072 370 A CA -0.128 51.897 52.037 -0.019 0.000 0.761 370 A CB 0.035 19.023 19.000 -0.019 0.000 1.004 370 A HN 0.392 nan 8.150 nan 0.000 0.499 371 S N 2.032 117.718 115.700 -0.023 0.000 2.606 371 S HA 0.100 4.596 4.470 0.044 0.000 0.257 371 S C 0.488 175.083 174.600 -0.008 0.000 1.327 371 S CA 0.232 58.422 58.200 -0.017 0.000 0.984 371 S CB 0.389 63.575 63.200 -0.024 0.000 0.941 371 S HN 0.635 nan 8.310 nan 0.000 0.576 372 D N 0.140 120.539 120.400 -0.002 0.000 2.104 372 D HA -0.087 4.579 4.640 0.044 0.000 0.194 372 D C 1.767 178.078 176.300 0.018 0.000 0.994 372 D CA 1.017 55.021 54.000 0.007 0.000 0.830 372 D CB -0.515 40.290 40.800 0.009 0.000 0.959 372 D HN 0.416 nan 8.370 nan 0.000 0.452 373 L N 0.737 121.971 121.223 0.018 0.000 2.093 373 L HA -0.014 4.353 4.340 0.044 0.000 0.208 373 L C 2.044 178.943 176.870 0.049 0.000 1.085 373 L CA 1.547 56.408 54.840 0.036 0.000 0.755 373 L CB -0.828 41.248 42.059 0.027 0.000 0.904 373 L HN -0.025 nan 8.230 nan 0.000 0.435 374 A N -0.584 122.246 122.820 0.016 0.000 1.898 374 A HA -0.043 4.303 4.320 0.044 0.000 0.216 374 A C 2.437 180.051 177.584 0.050 0.000 1.181 374 A CA 1.603 53.647 52.037 0.011 0.000 0.620 374 A CB -1.055 17.916 19.000 -0.049 0.000 0.819 374 A HN 0.533 nan 8.150 nan 0.000 0.442 375 A N -0.555 122.282 122.820 0.029 0.000 1.930 375 A HA -0.136 4.210 4.320 0.044 0.000 0.217 375 A C 1.960 179.573 177.584 0.048 0.000 1.175 375 A CA 1.753 53.803 52.037 0.022 0.000 0.627 375 A CB -0.438 18.558 19.000 -0.007 0.000 0.815 375 A HN 0.629 nan 8.150 nan 0.000 0.443 376 E N -0.305 119.936 120.200 0.068 0.000 2.072 376 E HA -0.062 4.314 4.350 0.044 0.000 0.191 376 E C 2.233 178.919 176.600 0.143 0.000 0.985 376 E CA 0.910 57.370 56.400 0.099 0.000 0.801 376 E CB -0.245 29.509 29.700 0.089 0.000 0.750 376 E HN 0.561 nan 8.360 nan 0.000 0.452 377 A N 0.329 123.249 122.820 0.166 0.000 1.917 377 A HA -0.202 4.145 4.320 0.044 0.000 0.219 377 A C 2.395 180.075 177.584 0.160 0.000 1.182 377 A CA 1.635 53.811 52.037 0.232 0.000 0.633 377 A CB -0.792 18.447 19.000 0.399 0.000 0.819 377 A HN 0.206 nan 8.150 nan 0.000 0.448 378 V N -0.501 119.526 119.914 0.188 0.000 2.261 378 V HA -0.240 3.906 4.120 0.044 0.000 0.246 378 V C 2.588 178.841 176.094 0.265 0.000 1.047 378 V CA 2.015 64.410 62.300 0.160 0.000 1.015 378 V CB -0.878 31.033 31.823 0.148 0.000 0.642 378 V HN 0.379 nan 8.190 nan 0.000 0.446 379 V N -0.016 120.020 119.914 0.205 0.000 2.287 379 V HA -0.290 3.856 4.120 0.044 0.000 0.248 379 V C 2.316 178.640 176.094 0.384 0.000 1.053 379 V CA 2.158 64.642 62.300 0.307 0.000 1.027 379 V CB -0.619 31.309 31.823 0.176 0.000 0.646 379 V HN 0.453 nan 8.190 nan 0.000 0.447 380 L N -0.738 120.689 121.223 0.341 0.000 2.093 380 L HA -0.198 4.168 4.340 0.044 0.000 0.208 380 L C 2.543 179.636 176.870 0.371 0.000 1.085 380 L CA 2.058 57.186 54.840 0.479 0.000 0.755 380 L CB -0.814 41.444 42.059 0.332 0.000 0.904 380 L HN 0.457 nan 8.230 nan 0.000 0.435 381 H N -0.874 118.216 119.070 0.034 0.000 2.389 381 H HA -0.174 4.410 4.556 0.047 0.000 0.299 381 H C 1.876 177.097 175.328 -0.178 0.000 1.081 381 H CA 1.804 57.726 56.048 -0.210 0.000 1.345 381 H CB 0.080 29.401 29.762 -0.736 0.000 1.393 381 H HN 0.229 nan 8.280 nan 0.000 0.520 382 Y N -0.033 120.334 120.300 0.112 0.000 2.517 382 Y HA 0.107 4.683 4.550 0.043 0.000 0.281 382 Y C 0.872 176.710 175.900 -0.103 0.000 1.125 382 Y CA 0.408 58.570 58.100 0.104 0.000 1.283 382 Y CB 0.242 38.896 38.460 0.322 0.000 1.042 382 Y HN 0.041 nan 8.280 nan 0.000 0.547 383 T N 1.484 115.987 114.554 -0.084 0.000 2.928 383 T HA -0.066 4.311 4.350 0.044 0.000 0.305 383 T C -0.242 174.041 174.700 -0.695 0.000 1.035 383 T CA -0.099 61.664 62.100 -0.562 0.000 1.145 383 T CB 0.264 68.487 68.868 -1.075 0.000 0.963 383 T HN 0.063 nan 8.240 nan 0.000 0.545 384 D N 1.759 121.785 120.400 -0.624 0.000 2.396 384 D HA 0.125 4.791 4.640 0.044 0.000 0.225 384 D C -0.033 175.934 176.300 -0.555 0.000 1.121 384 D CA -0.758 52.944 54.000 -0.497 0.000 0.853 384 D CB 0.439 40.970 40.800 -0.449 0.000 1.043 384 D HN 0.611 nan 8.370 nan 0.000 0.500 385 W N 3.158 124.344 121.300 -0.189 0.000 2.937 385 W HA 0.087 4.771 4.660 0.039 0.000 0.245 385 W C 1.890 178.273 176.519 -0.227 0.000 1.306 385 W CA -0.249 56.997 57.345 -0.165 0.000 1.470 385 W CB 0.039 29.423 29.460 -0.126 0.000 1.132 385 W HN 0.411 nan 8.180 nan 0.000 0.675 386 L N -1.044 120.029 121.223 -0.250 0.000 2.179 386 L HA -0.068 4.298 4.340 0.044 0.000 0.208 386 L C 0.249 176.725 176.870 -0.656 0.000 1.096 386 L CA 1.104 55.637 54.840 -0.512 0.000 0.779 386 L CB -0.368 41.219 42.059 -0.787 0.000 0.922 386 L HN 0.057 nan 8.230 nan 0.000 0.443 387 H N -2.026 116.945 119.070 -0.165 0.000 2.439 387 H HA 0.173 4.738 4.556 0.015 0.000 0.230 387 H C -1.991 173.206 175.328 -0.219 0.000 1.420 387 H CA -1.530 54.423 56.048 -0.157 0.000 1.305 387 H CB -0.079 29.590 29.762 -0.155 0.000 1.667 387 H HN -0.052 nan 8.280 nan 0.000 0.515 388 P HA -0.132 nan 4.420 nan 0.000 0.231 388 P C 0.331 177.526 177.300 -0.176 0.000 1.158 388 P CA 1.111 64.034 63.100 -0.295 0.000 0.763 388 P CB 0.570 32.143 31.700 -0.211 0.000 0.805 389 E N -0.976 119.182 120.200 -0.069 0.000 2.641 389 E HA 0.039 4.415 4.350 0.044 0.000 0.224 389 E C -0.091 176.498 176.600 -0.018 0.000 0.951 389 E CA -0.258 56.120 56.400 -0.037 0.000 1.102 389 E CB 0.070 29.767 29.700 -0.005 0.000 1.091 389 E HN 0.127 nan 8.360 nan 0.000 0.507 390 D N 2.919 123.328 120.400 0.016 0.000 2.426 390 D HA -0.016 4.650 4.640 0.044 0.000 0.261 390 D C -1.668 174.629 176.300 -0.006 0.000 1.245 390 D CA -1.483 52.539 54.000 0.036 0.000 0.917 390 D CB 1.133 42.019 40.800 0.144 0.000 1.123 390 D HN -0.155 nan 8.370 nan 0.000 0.508 391 P HA -0.107 nan 4.420 nan 0.000 0.220 391 P C 1.105 178.344 177.300 -0.102 0.000 1.148 391 P CA 0.919 63.969 63.100 -0.084 0.000 0.803 391 P CB 0.240 31.881 31.700 -0.099 0.000 0.782 392 T N -1.679 112.813 114.554 -0.103 0.000 2.737 392 T HA -0.149 4.227 4.350 0.044 0.000 0.265 392 T C 1.625 176.249 174.700 -0.127 0.000 1.038 392 T CA 1.182 63.199 62.100 -0.138 0.000 1.144 392 T CB -0.899 67.855 68.868 -0.191 0.000 0.866 392 T HN 0.243 nan 8.240 nan 0.000 0.434 393 H N 0.880 119.900 119.070 -0.084 0.000 2.319 393 H HA 0.044 4.618 4.556 0.031 0.000 0.299 393 H C 2.391 177.637 175.328 -0.137 0.000 1.092 393 H CA 1.117 57.115 56.048 -0.084 0.000 1.302 393 H CB -0.487 29.219 29.762 -0.093 0.000 1.373 393 H HN 0.275 nan 8.280 nan 0.000 0.497 394 L N 0.339 121.516 121.223 -0.077 0.000 2.083 394 L HA -0.177 4.189 4.340 0.044 0.000 0.209 394 L C 2.945 179.766 176.870 -0.082 0.000 1.083 394 L CA 1.052 55.727 54.840 -0.276 0.000 0.752 394 L CB -0.292 41.633 42.059 -0.223 0.000 0.899 394 L HN 0.165 nan 8.230 nan 0.000 0.433 395 R N 0.500 121.007 120.500 0.012 0.000 2.062 395 R HA -0.174 4.192 4.340 0.044 0.000 0.231 395 R C 1.705 178.155 176.300 0.251 0.000 1.136 395 R CA 2.102 58.301 56.100 0.164 0.000 0.948 395 R CB -0.432 29.837 30.300 -0.052 0.000 0.845 395 R HN 0.298 nan 8.270 nan 0.000 0.430 396 D N 0.669 121.166 120.400 0.163 0.000 2.182 396 D HA -0.119 4.547 4.640 0.044 0.000 0.201 396 D C 1.721 178.147 176.300 0.210 0.000 0.986 396 D CA 1.464 55.585 54.000 0.203 0.000 0.847 396 D CB -0.226 40.661 40.800 0.144 0.000 0.942 396 D HN 0.404 nan 8.370 nan 0.000 0.467 397 A N 0.550 123.462 122.820 0.153 0.000 1.898 397 A HA -0.153 4.193 4.320 0.044 0.000 0.216 397 A C 2.132 179.859 177.584 0.240 0.000 1.181 397 A CA 1.547 53.697 52.037 0.188 0.000 0.620 397 A CB -0.499 18.476 19.000 -0.043 0.000 0.819 397 A HN 0.149 nan 8.150 nan 0.000 0.442 398 M N 0.081 119.871 119.600 0.317 0.000 2.108 398 M HA -0.112 4.394 4.480 0.044 0.000 0.261 398 M C 2.286 178.664 176.300 0.131 0.000 1.066 398 M CA 2.146 57.645 55.300 0.332 0.000 1.107 398 M CB -0.662 32.176 32.600 0.398 0.000 1.356 398 M HN 0.416 nan 8.290 nan 0.000 0.406 399 S N -0.316 115.482 115.700 0.164 0.000 2.343 399 S HA -0.122 4.375 4.470 0.044 0.000 0.219 399 S C 2.091 176.779 174.600 0.147 0.000 1.033 399 S CA 1.769 60.069 58.200 0.166 0.000 1.014 399 S CB -0.765 62.593 63.200 0.264 0.000 0.915 399 S HN 0.649 nan 8.310 nan 0.000 0.435 400 A N 0.969 123.902 122.820 0.188 0.000 1.917 400 A HA -0.080 4.266 4.320 0.044 0.000 0.219 400 A C 2.384 180.039 177.584 0.117 0.000 1.182 400 A CA 2.080 54.257 52.037 0.233 0.000 0.633 400 A CB -1.316 17.932 19.000 0.412 0.000 0.819 400 A HN 0.480 nan 8.150 nan 0.000 0.448 401 V N -0.492 119.333 119.914 -0.147 0.000 2.252 401 V HA -0.279 3.868 4.120 0.044 0.000 0.249 401 V C 2.600 178.637 176.094 -0.095 0.000 1.056 401 V CA 2.226 64.352 62.300 -0.290 0.000 1.022 401 V CB -0.827 30.823 31.823 -0.288 0.000 0.641 401 V HN 0.403 nan 8.190 nan 0.000 0.445 402 V N 0.618 120.498 119.914 -0.057 0.000 2.295 402 V HA -0.173 3.973 4.120 0.044 0.000 0.246 402 V C 2.625 178.619 176.094 -0.167 0.000 1.049 402 V CA 2.222 64.473 62.300 -0.083 0.000 1.024 402 V CB -1.440 30.380 31.823 -0.007 0.000 0.648 402 V HN 0.621 nan 8.190 nan 0.000 0.447 403 G N -0.384 108.383 108.800 -0.055 0.000 2.418 403 G HA2 -0.243 3.743 3.960 0.044 0.000 0.217 403 G HA3 -0.243 3.743 3.960 0.044 0.000 0.217 403 G C 1.242 176.063 174.900 -0.131 0.000 1.158 403 G CA 1.078 46.148 45.100 -0.048 0.000 0.771 403 G HN 0.504 nan 8.290 nan 0.000 0.545 404 D N -0.267 120.074 120.400 -0.099 0.000 2.084 404 D HA -0.075 4.591 4.640 0.044 0.000 0.196 404 D C 2.116 178.085 176.300 -0.552 0.000 0.985 404 D CA 1.223 55.123 54.000 -0.166 0.000 0.826 404 D CB -0.554 40.316 40.800 0.116 0.000 0.978 404 D HN 0.378 nan 8.370 nan 0.000 0.456 405 H N 0.942 119.417 119.070 -0.992 0.000 2.352 405 H HA -0.032 4.550 4.556 0.043 0.000 0.299 405 H C 1.460 176.359 175.328 -0.715 0.000 1.097 405 H CA 1.792 57.050 56.048 -1.316 0.000 1.311 405 H CB 0.071 29.082 29.762 -1.253 0.000 1.377 405 H HN 0.013 nan 8.280 nan 0.000 0.504 406 N N -1.053 117.190 118.700 -0.762 0.000 2.432 406 N HA 0.018 4.784 4.740 0.044 0.000 0.174 406 N C 1.410 176.653 175.510 -0.445 0.000 1.037 406 N CA 1.077 53.620 53.050 -0.844 0.000 0.892 406 N CB 0.954 38.422 38.487 -1.698 0.000 1.049 406 N HN 0.270 nan 8.380 nan 0.000 0.442 407 V N -0.169 119.542 119.914 -0.339 0.000 3.134 407 V HA 0.069 4.215 4.120 0.044 0.000 0.222 407 V C 2.241 178.275 176.094 -0.102 0.000 1.247 407 V CA 0.250 62.484 62.300 -0.110 0.000 1.281 407 V CB -0.253 31.572 31.823 0.004 0.000 1.169 407 V HN -0.167 nan 8.190 nan 0.000 0.512 408 V N 0.137 119.995 119.914 -0.094 0.000 2.287 408 V HA -0.312 3.834 4.120 0.044 0.000 0.248 408 V C 2.498 178.541 176.094 -0.086 0.000 1.053 408 V CA 2.638 64.898 62.300 -0.067 0.000 1.027 408 V CB -0.811 31.004 31.823 -0.013 0.000 0.646 408 V HN 0.670 nan 8.190 nan 0.000 0.447 409 c N -0.628 117.908 118.600 -0.107 0.000 2.475 409 c HA 0.040 4.636 4.570 0.044 0.000 0.279 409 c C 0.515 174.553 174.090 -0.087 0.000 1.322 409 c CA 0.723 57.017 56.329 -0.059 0.000 1.734 409 c CB -1.709 40.793 42.510 -0.014 0.000 2.005 409 c HN 0.464 nan 8.230 nan 0.000 0.495 410 P HA -0.063 nan 4.420 nan 0.000 0.217 410 P C 1.743 178.962 177.300 -0.136 0.000 1.150 410 P CA 1.315 64.321 63.100 -0.156 0.000 0.832 410 P CB -0.149 31.422 31.700 -0.216 0.000 0.787 411 V N 0.091 119.928 119.914 -0.130 0.000 2.358 411 V HA -0.229 3.917 4.120 0.044 0.000 0.246 411 V C 2.451 178.435 176.094 -0.184 0.000 1.047 411 V CA 2.188 64.399 62.300 -0.149 0.000 1.035 411 V CB -1.647 30.089 31.823 -0.145 0.000 0.658 411 V HN 0.092 nan 8.190 nan 0.000 0.452 412 A N -0.506 122.223 122.820 -0.153 0.000 1.902 412 A HA -0.322 4.024 4.320 0.044 0.000 0.217 412 A C 2.216 179.749 177.584 -0.085 0.000 1.181 412 A CA 2.249 54.202 52.037 -0.140 0.000 0.623 412 A CB -0.530 18.441 19.000 -0.049 0.000 0.818 412 A HN 0.620 nan 8.150 nan 0.000 0.443 413 Q N -0.808 118.957 119.800 -0.058 0.000 2.020 413 Q HA -0.172 4.194 4.340 0.044 0.000 0.202 413 Q C 1.960 177.927 176.000 -0.056 0.000 0.982 413 Q CA 1.861 57.645 55.803 -0.032 0.000 0.838 413 Q CB -0.359 28.358 28.738 -0.034 0.000 0.899 413 Q HN 0.500 nan 8.270 nan 0.000 0.423 414 L N 0.580 121.741 121.223 -0.102 0.000 2.012 414 L HA -0.141 4.226 4.340 0.044 0.000 0.210 414 L C 2.259 179.047 176.870 -0.137 0.000 1.073 414 L CA 2.323 57.087 54.840 -0.126 0.000 0.748 414 L CB -1.032 40.936 42.059 -0.152 0.000 0.891 414 L HN 0.342 nan 8.230 nan 0.000 0.431 415 A N -0.469 122.236 122.820 -0.191 0.000 1.873 415 A HA -0.172 4.174 4.320 0.044 0.000 0.218 415 A C 2.373 179.949 177.584 -0.013 0.000 1.193 415 A CA 1.998 53.881 52.037 -0.257 0.000 0.629 415 A CB -1.752 16.820 19.000 -0.712 0.000 0.826 415 A HN 0.553 nan 8.150 nan 0.000 0.447 416 G N -0.737 108.114 108.800 0.086 0.000 2.459 416 G HA2 -0.260 3.726 3.960 0.044 0.000 0.217 416 G HA3 -0.260 3.726 3.960 0.044 0.000 0.217 416 G C 1.653 176.624 174.900 0.118 0.000 1.183 416 G CA 1.041 46.268 45.100 0.212 0.000 0.776 416 G HN 0.404 nan 8.290 nan 0.000 0.552 417 R N 0.266 120.801 120.500 0.060 0.000 2.081 417 R HA 0.084 4.450 4.340 0.044 0.000 0.235 417 R C 2.691 179.040 176.300 0.082 0.000 1.131 417 R CA 0.615 56.757 56.100 0.069 0.000 0.960 417 R CB -1.237 29.094 30.300 0.052 0.000 0.856 417 R HN 0.432 nan 8.270 nan 0.000 0.436 418 L N 0.027 121.240 121.223 -0.018 0.000 2.027 418 L HA -0.095 4.271 4.340 0.044 0.000 0.206 418 L C 2.564 179.475 176.870 0.068 0.000 1.074 418 L CA 1.411 56.211 54.840 -0.066 0.000 0.745 418 L CB -0.693 41.240 42.059 -0.211 0.000 0.898 418 L HN 0.147 nan 8.230 nan 0.000 0.433 419 A N 0.121 122.992 122.820 0.085 0.000 1.902 419 A HA -0.172 4.174 4.320 0.044 0.000 0.217 419 A C 2.472 180.110 177.584 0.089 0.000 1.181 419 A CA 1.758 53.855 52.037 0.100 0.000 0.623 419 A CB -0.720 18.378 19.000 0.164 0.000 0.818 419 A HN 0.405 nan 8.150 nan 0.000 0.443 420 A N -1.343 121.537 122.820 0.099 0.000 2.067 420 A HA -0.056 4.290 4.320 0.044 0.000 0.219 420 A C 1.642 179.282 177.584 0.094 0.000 1.158 420 A CA 1.359 53.446 52.037 0.083 0.000 0.661 420 A CB -0.233 18.815 19.000 0.081 0.000 0.801 420 A HN 0.623 nan 8.150 nan 0.000 0.452 421 Q N -1.746 118.142 119.800 0.147 0.000 2.211 421 Q HA 0.413 4.779 4.340 0.044 0.000 0.301 421 Q C 0.723 176.828 176.000 0.175 0.000 0.884 421 Q CA 0.270 56.171 55.803 0.163 0.000 1.115 421 Q CB 0.616 29.492 28.738 0.230 0.000 1.217 421 Q HN 0.708 nan 8.270 nan 0.000 0.451 422 G N -0.011 108.864 108.800 0.125 0.000 2.232 422 G HA2 -0.274 3.712 3.960 0.044 0.000 0.226 422 G HA3 -0.274 3.712 3.960 0.044 0.000 0.226 422 G C 0.335 175.302 174.900 0.111 0.000 0.996 422 G CA -0.221 44.939 45.100 0.099 0.000 0.626 422 G HN 0.559 nan 8.290 nan 0.000 0.509 423 A N 0.369 123.277 122.820 0.147 0.000 2.388 423 A HA 0.707 5.054 4.320 0.044 0.000 0.257 423 A C 0.647 178.261 177.584 0.050 0.000 1.095 423 A CA 0.461 52.564 52.037 0.111 0.000 0.791 423 A CB 0.327 19.377 19.000 0.083 0.000 1.029 423 A HN 0.736 nan 8.150 nan 0.000 0.489 424 R N 1.912 122.435 120.500 0.039 0.000 2.267 424 R HA 0.470 4.836 4.340 0.044 0.000 0.319 424 R C -1.359 174.915 176.300 -0.043 0.000 1.067 424 R CA -0.036 56.051 56.100 -0.020 0.000 0.936 424 R CB 0.288 30.602 30.300 0.023 0.000 1.006 424 R HN 0.469 nan 8.270 nan 0.000 0.452 425 V N 5.788 125.600 119.914 -0.170 0.000 2.656 425 V HA 0.407 4.554 4.120 0.044 0.000 0.307 425 V C -1.159 174.730 176.094 -0.343 0.000 1.051 425 V CA -0.804 61.418 62.300 -0.131 0.000 0.893 425 V CB 1.661 33.482 31.823 -0.002 0.000 0.999 425 V HN 0.663 nan 8.190 nan 0.000 0.426 426 Y N 1.956 122.205 120.300 -0.084 0.000 2.446 426 Y HA 0.814 5.390 4.550 0.043 0.000 0.345 426 Y C 0.288 176.228 175.900 0.066 0.000 0.984 426 Y CA -0.613 57.405 58.100 -0.135 0.000 1.058 426 Y CB 2.317 40.331 38.460 -0.743 0.000 1.220 426 Y HN 0.769 nan 8.280 nan 0.000 0.455 427 A N 2.942 126.130 122.820 0.615 0.000 2.414 427 A HA 0.834 5.180 4.320 0.044 0.000 0.306 427 A C -1.900 176.111 177.584 0.711 0.000 1.054 427 A CA -0.703 51.602 52.037 0.447 0.000 0.724 427 A CB 0.933 20.019 19.000 0.143 0.000 1.267 427 A HN 0.741 nan 8.150 nan 0.000 0.418 428 Y N -0.171 120.402 120.300 0.456 0.000 2.609 428 Y HA 0.819 5.395 4.550 0.043 0.000 0.342 428 Y C -1.065 175.022 175.900 0.311 0.000 1.058 428 Y CA -1.674 56.630 58.100 0.340 0.000 1.055 428 Y CB 1.356 40.002 38.460 0.310 0.000 1.292 428 Y HN 0.694 nan 8.280 nan 0.000 0.476 429 I N 2.998 123.895 120.570 0.545 0.000 2.465 429 I HA 0.473 4.669 4.170 0.044 0.000 0.291 429 I C -1.853 174.611 176.117 0.578 0.000 1.014 429 I CA -1.083 60.505 61.300 0.479 0.000 1.093 429 I CB 1.300 39.513 38.000 0.355 0.000 1.267 429 I HN 0.748 nan 8.210 nan 0.000 0.431 430 F N 7.123 127.359 119.950 0.476 0.000 2.385 430 F HA 0.408 4.961 4.527 0.044 0.000 0.360 430 F C 0.520 176.479 175.800 0.265 0.000 1.122 430 F CA 0.021 58.239 58.000 0.364 0.000 1.090 430 F CB 0.970 40.199 39.000 0.381 0.000 1.150 430 F HN 0.544 nan 8.300 nan 0.000 0.472 431 E N 2.843 122.967 120.200 -0.127 0.000 2.601 431 E HA -0.016 4.360 4.350 0.044 0.000 0.219 431 E C -0.735 175.786 176.600 -0.131 0.000 0.964 431 E CA -0.179 56.204 56.400 -0.029 0.000 1.050 431 E CB 0.305 30.002 29.700 -0.006 0.000 1.068 431 E HN 0.542 nan 8.360 nan 0.000 0.496 432 H N 1.567 120.337 119.070 -0.501 0.000 2.620 432 H HA 0.223 4.805 4.556 0.044 0.000 0.313 432 H C -0.361 174.962 175.328 -0.008 0.000 1.075 432 H CA -0.308 55.519 56.048 -0.368 0.000 1.397 432 H CB 0.564 29.925 29.762 -0.668 0.000 1.446 432 H HN -0.149 nan 8.280 nan 0.000 0.493 433 R N 4.189 124.349 120.500 -0.565 0.000 2.207 433 R HA 0.492 4.858 4.340 0.044 0.000 0.334 433 R C -0.620 175.427 176.300 -0.423 0.000 1.013 433 R CA -0.714 55.217 56.100 -0.282 0.000 0.858 433 R CB 0.425 30.646 30.300 -0.132 0.000 1.094 433 R HN 0.834 nan 8.270 nan 0.000 0.457 434 A N 3.173 126.062 122.820 0.115 0.000 2.584 434 A HA -0.033 4.313 4.320 0.044 0.000 0.239 434 A C 1.398 179.119 177.584 0.228 0.000 1.043 434 A CA 0.670 52.989 52.037 0.470 0.000 0.756 434 A CB 0.211 19.598 19.000 0.644 0.000 0.963 434 A HN 1.039 nan 8.150 nan 0.000 0.511 435 S N 1.772 117.656 115.700 0.307 0.000 2.419 435 S HA -0.182 4.314 4.470 0.044 0.000 0.235 435 S C 1.313 175.943 174.600 0.050 0.000 1.019 435 S CA 1.751 60.043 58.200 0.154 0.000 0.982 435 S CB -0.837 62.477 63.200 0.188 0.000 0.789 435 S HN 1.337 nan 8.310 nan 0.000 0.490 436 T N -1.011 113.553 114.554 0.017 0.000 3.163 436 T HA 0.424 4.800 4.350 0.044 0.000 0.252 436 T C 0.230 174.887 174.700 -0.072 0.000 1.056 436 T CA -0.601 61.429 62.100 -0.117 0.000 0.947 436 T CB -0.476 68.177 68.868 -0.358 0.000 1.016 436 T HN 0.232 nan 8.240 nan 0.000 0.554 437 L N 3.585 124.806 121.223 -0.004 0.000 2.453 437 L HA 0.268 4.634 4.340 0.044 0.000 0.272 437 L C 1.710 178.545 176.870 -0.059 0.000 1.182 437 L CA 0.676 55.501 54.840 -0.026 0.000 0.858 437 L CB 0.948 42.996 42.059 -0.018 0.000 1.120 437 L HN 0.438 nan 8.230 nan 0.000 0.474 438 T N -0.840 113.645 114.554 -0.116 0.000 3.044 438 T HA 0.093 4.469 4.350 0.044 0.000 0.250 438 T C 0.354 175.042 174.700 -0.020 0.000 1.081 438 T CA -0.431 61.590 62.100 -0.132 0.000 1.040 438 T CB -0.243 68.409 68.868 -0.360 0.000 0.962 438 T HN 0.384 nan 8.240 nan 0.000 0.506 439 W N 2.797 124.094 121.300 -0.006 0.000 2.161 439 W HA 0.472 5.157 4.660 0.043 0.000 0.344 439 W C -2.279 174.133 176.519 -0.178 0.000 1.262 439 W CA -2.295 55.002 57.345 -0.080 0.000 1.270 439 W CB -0.079 29.246 29.460 -0.225 0.000 1.126 439 W HN -0.029 nan 8.180 nan 0.000 0.598 440 P HA 0.008 nan 4.420 nan 0.000 0.270 440 P C 0.663 177.883 177.300 -0.133 0.000 1.223 440 P CA -0.036 63.020 63.100 -0.074 0.000 0.785 440 P CB 0.609 32.260 31.700 -0.083 0.000 0.923 441 L N 0.770 121.983 121.223 -0.017 0.000 2.079 441 L HA -0.141 4.225 4.340 0.044 0.000 0.210 441 L C 2.302 179.193 176.870 0.034 0.000 1.081 441 L CA 1.338 56.184 54.840 0.011 0.000 0.752 441 L CB -0.810 41.284 42.059 0.058 0.000 0.896 441 L HN 0.637 nan 8.230 nan 0.000 0.433 442 W N -0.650 120.685 121.300 0.059 0.000 2.538 442 W HA -0.135 4.550 4.660 0.042 0.000 0.254 442 W C 1.584 178.158 176.519 0.091 0.000 1.249 442 W CA 0.452 57.837 57.345 0.068 0.000 1.253 442 W CB -0.675 28.827 29.460 0.070 0.000 1.130 442 W HN 0.211 nan 8.180 nan 0.000 0.618 443 M N 1.163 120.420 119.600 -0.571 0.000 2.556 443 M HA 0.154 4.660 4.480 0.044 0.000 0.245 443 M C 1.862 178.062 176.300 -0.167 0.000 1.128 443 M CA 1.151 56.100 55.300 -0.586 0.000 1.069 443 M CB -0.429 31.670 32.600 -0.836 0.000 1.469 443 M HN 0.150 nan 8.290 nan 0.000 0.494 444 G N 1.008 109.768 108.800 -0.067 0.000 2.629 444 G HA2 -0.301 3.685 3.960 0.044 0.000 0.313 444 G HA3 -0.301 3.685 3.960 0.044 0.000 0.313 444 G C -0.043 174.871 174.900 0.025 0.000 1.217 444 G CA 0.031 45.139 45.100 0.015 0.000 0.994 444 G HN 0.255 nan 8.290 nan 0.000 0.549 445 V N 3.738 123.714 119.914 0.103 0.000 2.288 445 V HA 0.472 4.618 4.120 0.044 0.000 0.266 445 V C -1.861 174.375 176.094 0.237 0.000 1.048 445 V CA -0.831 61.584 62.300 0.192 0.000 0.842 445 V CB 1.192 33.185 31.823 0.283 0.000 1.064 445 V HN 0.506 nan 8.190 nan 0.000 0.472 446 P HA 0.220 nan 4.420 nan 0.000 0.279 446 P C -0.266 177.306 177.300 0.454 0.000 1.252 446 P CA -0.652 62.614 63.100 0.276 0.000 0.811 446 P CB 0.381 32.141 31.700 0.100 0.000 1.035 447 H N 1.149 120.369 119.070 0.250 0.000 3.243 447 H HA 0.160 4.742 4.556 0.043 0.000 0.267 447 H C 1.519 176.839 175.328 -0.012 0.000 0.875 447 H CA 2.429 58.553 56.048 0.127 0.000 1.413 447 H CB -0.973 28.838 29.762 0.082 0.000 1.459 447 H HN 0.751 nan 8.280 nan 0.000 0.536 448 G N 3.631 112.255 108.800 -0.293 0.000 2.218 448 G HA2 -0.278 3.708 3.960 0.044 0.000 0.216 448 G HA3 -0.278 3.708 3.960 0.044 0.000 0.216 448 G C 0.490 175.271 174.900 -0.198 0.000 0.994 448 G CA 0.187 45.050 45.100 -0.396 0.000 0.637 448 G HN 0.610 nan 8.290 nan 0.000 0.505 449 Y N 1.631 122.048 120.300 0.195 0.000 2.495 449 Y HA 0.282 4.859 4.550 0.044 0.000 0.293 449 Y C 2.195 178.213 175.900 0.198 0.000 1.186 449 Y CA 0.763 59.027 58.100 0.273 0.000 1.266 449 Y CB 0.468 39.134 38.460 0.342 0.000 1.101 449 Y HN 0.476 nan 8.280 nan 0.000 0.517 450 E N 0.043 120.194 120.200 -0.081 0.000 2.364 450 E HA -0.035 4.341 4.350 0.044 0.000 0.196 450 E C 1.571 178.052 176.600 -0.199 0.000 0.990 450 E CA 0.556 56.567 56.400 -0.648 0.000 0.886 450 E CB -0.320 28.573 29.700 -1.346 0.000 0.866 450 E HN 0.540 nan 8.360 nan 0.000 0.493 451 I N 2.786 123.331 120.570 -0.042 0.000 2.163 451 I HA -0.308 3.888 4.170 0.044 0.000 0.243 451 I C 2.669 178.781 176.117 -0.009 0.000 1.085 451 I CA 2.165 63.482 61.300 0.028 0.000 1.347 451 I CB -0.491 37.583 38.000 0.123 0.000 1.044 451 I HN 0.222 nan 8.210 nan 0.000 0.408 452 E N 0.960 121.104 120.200 -0.093 0.000 2.204 452 E HA -0.225 4.151 4.350 0.044 0.000 0.195 452 E C 1.998 178.356 176.600 -0.404 0.000 0.990 452 E CA 1.429 57.672 56.400 -0.263 0.000 0.821 452 E CB -0.467 29.050 29.700 -0.306 0.000 0.750 452 E HN 0.445 nan 8.360 nan 0.000 0.477 453 F N 1.186 121.025 119.950 -0.185 0.000 2.219 453 F HA 0.004 4.558 4.527 0.044 0.000 0.294 453 F C 2.303 177.877 175.800 -0.376 0.000 1.086 453 F CA 0.410 58.241 58.000 -0.281 0.000 1.330 453 F CB -0.103 38.805 39.000 -0.153 0.000 1.047 453 F HN -0.038 nan 8.300 nan 0.000 0.495 454 I N -0.741 119.680 120.570 -0.248 0.000 2.286 454 I HA -0.285 3.911 4.170 0.044 0.000 0.248 454 I C 2.059 177.949 176.117 -0.378 0.000 1.115 454 I CA 1.668 62.662 61.300 -0.511 0.000 1.392 454 I CB -1.414 36.153 38.000 -0.721 0.000 1.065 454 I HN 0.092 nan 8.210 nan 0.000 0.418 455 F N 0.913 120.688 119.950 -0.291 0.000 2.780 455 F HA 0.196 4.749 4.527 0.043 0.000 0.299 455 F C 1.859 177.540 175.800 -0.199 0.000 1.146 455 F CA 0.847 58.723 58.000 -0.207 0.000 1.428 455 F CB -0.192 38.674 39.000 -0.225 0.000 1.115 455 F HN 0.295 nan 8.300 nan 0.000 0.583 456 G N -0.036 108.627 108.800 -0.227 0.000 2.137 456 G HA2 -0.295 3.691 3.960 0.044 0.000 0.237 456 G HA3 -0.295 3.691 3.960 0.044 0.000 0.237 456 G C 0.955 175.291 174.900 -0.941 0.000 1.002 456 G CA 0.293 45.141 45.100 -0.420 0.000 0.702 456 G HN 0.289 nan 8.290 nan 0.000 0.515 457 L N 0.384 121.087 121.223 -0.865 0.000 2.127 457 L HA 0.049 4.415 4.340 0.044 0.000 0.211 457 L C 0.367 176.765 176.870 -0.786 0.000 1.089 457 L CA 2.646 56.909 54.840 -0.961 0.000 0.757 457 L CB -0.882 40.901 42.059 -0.460 0.000 0.899 457 L HN 0.198 nan 8.230 nan 0.000 0.434 458 P HA -0.127 nan 4.420 nan 0.000 0.228 458 P C 1.539 178.662 177.300 -0.295 0.000 1.151 458 P CA 0.804 63.513 63.100 -0.650 0.000 0.770 458 P CB 0.064 31.291 31.700 -0.788 0.000 0.786 459 L N -1.121 119.853 121.223 -0.415 0.000 2.456 459 L HA -0.041 4.325 4.340 0.044 0.000 0.224 459 L C 0.876 177.691 176.870 -0.092 0.000 1.148 459 L CA 1.152 55.859 54.840 -0.221 0.000 0.825 459 L CB -1.201 40.741 42.059 -0.195 0.000 0.937 459 L HN -0.050 nan 8.230 nan 0.000 0.450 460 D N -0.326 119.994 120.400 -0.134 0.000 2.365 460 D HA 0.107 4.773 4.640 0.044 0.000 0.237 460 D C -1.639 174.691 176.300 0.050 0.000 1.190 460 D CA -2.219 51.818 54.000 0.061 0.000 0.867 460 D CB 1.411 42.298 40.800 0.146 0.000 1.050 460 D HN -0.066 nan 8.370 nan 0.000 0.491 461 P HA -0.159 nan 4.420 nan 0.000 0.216 461 P C 1.172 178.489 177.300 0.027 0.000 1.150 461 P CA 1.117 64.240 63.100 0.039 0.000 0.837 461 P CB 0.007 31.725 31.700 0.031 0.000 0.786 462 S N -1.440 114.274 115.700 0.023 0.000 2.595 462 S HA -0.035 4.461 4.470 0.044 0.000 0.235 462 S C 1.618 176.202 174.600 -0.026 0.000 0.974 462 S CA 0.672 58.872 58.200 -0.001 0.000 0.942 462 S CB -1.357 61.844 63.200 0.002 0.000 0.766 462 S HN 0.119 nan 8.310 nan 0.000 0.536 463 L N 0.291 121.506 121.223 -0.014 0.000 2.477 463 L HA 0.197 4.563 4.340 0.044 0.000 0.220 463 L C 0.226 176.964 176.870 -0.220 0.000 1.106 463 L CA -0.008 54.779 54.840 -0.090 0.000 0.851 463 L CB -0.541 41.533 42.059 0.025 0.000 0.994 463 L HN 0.243 nan 8.230 nan 0.000 0.462 464 N N -1.729 116.910 118.700 -0.101 0.000 2.818 464 N HA -0.209 4.557 4.740 0.044 0.000 0.250 464 N C -0.502 174.931 175.510 -0.128 0.000 1.108 464 N CA 0.720 53.705 53.050 -0.108 0.000 0.745 464 N CB -1.954 36.451 38.487 -0.137 0.000 1.104 464 N HN 0.260 nan 8.380 nan 0.000 0.557 465 Y N 1.178 121.469 120.300 -0.015 0.000 2.357 465 Y HA 0.200 4.776 4.550 0.043 0.000 0.340 465 Y C 2.049 177.975 175.900 0.044 0.000 1.260 465 Y CA 0.290 58.408 58.100 0.030 0.000 1.425 465 Y CB 0.399 38.869 38.460 0.016 0.000 1.326 465 Y HN 0.113 nan 8.280 nan 0.000 0.580 466 T N -2.879 111.828 114.554 0.255 0.000 2.766 466 T HA 0.057 4.433 4.350 0.044 0.000 0.295 466 T C 1.216 175.998 174.700 0.136 0.000 1.024 466 T CA -0.029 62.164 62.100 0.155 0.000 1.018 466 T CB 0.772 69.723 68.868 0.138 0.000 1.002 466 T HN 0.801 nan 8.240 nan 0.000 0.532 467 T N -1.657 112.946 114.554 0.082 0.000 3.043 467 T HA 0.035 4.411 4.350 0.044 0.000 0.263 467 T C 1.451 176.180 174.700 0.049 0.000 1.094 467 T CA 0.653 62.788 62.100 0.058 0.000 1.127 467 T CB -0.405 68.485 68.868 0.037 0.000 0.905 467 T HN 0.707 nan 8.240 nan 0.000 0.490 468 E N 1.884 122.110 120.200 0.043 0.000 2.110 468 E HA -0.073 4.303 4.350 0.044 0.000 0.193 468 E C 2.231 178.849 176.600 0.030 0.000 0.988 468 E CA 1.258 57.665 56.400 0.011 0.000 0.804 468 E CB -0.263 29.422 29.700 -0.025 0.000 0.745 468 E HN 0.675 nan 8.360 nan 0.000 0.458 469 E N 0.293 120.546 120.200 0.089 0.000 2.106 469 E HA -0.122 4.254 4.350 0.044 0.000 0.192 469 E C 2.116 178.811 176.600 0.159 0.000 0.984 469 E CA 0.424 56.941 56.400 0.195 0.000 0.806 469 E CB -0.008 29.922 29.700 0.383 0.000 0.750 469 E HN 0.044 nan 8.360 nan 0.000 0.458 470 R N 1.107 121.652 120.500 0.074 0.000 2.092 470 R HA -0.114 4.252 4.340 0.044 0.000 0.231 470 R C 2.119 178.420 176.300 0.001 0.000 1.119 470 R CA 1.018 57.116 56.100 -0.004 0.000 0.970 470 R CB -0.249 30.052 30.300 0.000 0.000 0.864 470 R HN 0.215 nan 8.270 nan 0.000 0.440 471 I N 0.265 120.856 120.570 0.034 0.000 2.315 471 I HA -0.258 3.938 4.170 0.044 0.000 0.248 471 I C 2.236 178.393 176.117 0.068 0.000 1.117 471 I CA 0.801 62.119 61.300 0.030 0.000 1.404 471 I CB -0.376 37.640 38.000 0.027 0.000 1.071 471 I HN 0.083 nan 8.210 nan 0.000 0.419 472 F N 2.092 121.987 119.950 -0.093 0.000 2.102 472 F HA -0.216 4.338 4.527 0.045 0.000 0.298 472 F C 2.487 178.248 175.800 -0.066 0.000 1.105 472 F CA 1.288 59.215 58.000 -0.121 0.000 1.239 472 F CB -0.744 38.112 39.000 -0.241 0.000 0.991 472 F HN 0.018 nan 8.300 nan 0.000 0.474 473 A N 0.064 122.820 122.820 -0.106 0.000 1.940 473 A HA -0.255 4.091 4.320 0.044 0.000 0.219 473 A C 2.147 179.603 177.584 -0.213 0.000 1.176 473 A CA 1.903 53.816 52.037 -0.208 0.000 0.631 473 A CB -0.894 17.998 19.000 -0.180 0.000 0.814 473 A HN 0.628 nan 8.150 nan 0.000 0.446 474 Q N -0.857 118.859 119.800 -0.140 0.000 2.124 474 Q HA -0.159 4.207 4.340 0.044 0.000 0.202 474 Q C 2.357 178.258 176.000 -0.166 0.000 0.977 474 Q CA 1.418 57.147 55.803 -0.123 0.000 0.850 474 Q CB -0.186 28.507 28.738 -0.075 0.000 0.901 474 Q HN 0.629 nan 8.270 nan 0.000 0.429 475 R N 0.379 120.767 120.500 -0.186 0.000 2.073 475 R HA -0.101 4.265 4.340 0.044 0.000 0.234 475 R C 2.339 178.363 176.300 -0.461 0.000 1.134 475 R CA 1.134 57.042 56.100 -0.319 0.000 0.952 475 R CB -0.286 29.910 30.300 -0.173 0.000 0.850 475 R HN 0.239 nan 8.270 nan 0.000 0.433 476 L N 0.061 121.101 121.223 -0.305 0.000 2.056 476 L HA -0.168 4.198 4.340 0.044 0.000 0.207 476 L C 2.520 179.347 176.870 -0.070 0.000 1.078 476 L CA 1.337 56.087 54.840 -0.151 0.000 0.749 476 L CB -0.382 41.430 42.059 -0.412 0.000 0.901 476 L HN 0.228 nan 8.230 nan 0.000 0.433 477 M N -0.781 118.720 119.600 -0.164 0.000 2.202 477 M HA -0.185 4.321 4.480 0.044 0.000 0.262 477 M C 2.264 178.565 176.300 0.001 0.000 1.063 477 M CA 1.424 56.666 55.300 -0.096 0.000 1.097 477 M CB -0.321 32.208 32.600 -0.119 0.000 1.382 477 M HN 0.077 nan 8.290 nan 0.000 0.413 478 K N 0.001 120.361 120.400 -0.066 0.000 2.025 478 K HA -0.111 4.236 4.320 0.044 0.000 0.207 478 K C 1.885 178.535 176.600 0.083 0.000 1.049 478 K CA 1.647 57.901 56.287 -0.054 0.000 0.933 478 K CB -0.428 31.965 32.500 -0.178 0.000 0.714 478 K HN 0.300 nan 8.250 nan 0.000 0.438 479 Y N -0.084 120.352 120.300 0.226 0.000 2.097 479 Y HA -0.249 4.327 4.550 0.043 0.000 0.282 479 Y C 2.501 178.548 175.900 0.245 0.000 1.152 479 Y CA 0.902 59.174 58.100 0.285 0.000 1.136 479 Y CB -0.949 37.831 38.460 0.535 0.000 0.975 479 Y HN 0.225 nan 8.280 nan 0.000 0.498 480 W N 0.664 122.053 121.300 0.147 0.000 2.335 480 W HA -0.257 4.428 4.660 0.043 0.000 0.311 480 W C 2.535 179.065 176.519 0.018 0.000 1.213 480 W CA 2.374 59.739 57.345 0.035 0.000 1.274 480 W CB -0.714 28.691 29.460 -0.092 0.000 1.148 480 W HN 0.255 nan 8.180 nan 0.000 0.498 481 T N -2.088 112.580 114.554 0.191 0.000 2.857 481 T HA -0.143 4.233 4.350 0.044 0.000 0.266 481 T C 1.473 176.204 174.700 0.052 0.000 1.048 481 T CA 1.160 63.301 62.100 0.070 0.000 1.139 481 T CB -0.687 68.200 68.868 0.032 0.000 0.874 481 T HN -0.045 nan 8.240 nan 0.000 0.455 482 N N 0.918 119.666 118.700 0.079 0.000 2.120 482 N HA -0.033 4.733 4.740 0.044 0.000 0.188 482 N C 1.437 176.955 175.510 0.012 0.000 1.024 482 N CA 1.081 54.158 53.050 0.045 0.000 0.852 482 N CB -0.613 37.918 38.487 0.073 0.000 1.003 482 N HN 0.464 nan 8.380 nan 0.000 0.424 483 F N 1.784 121.657 119.950 -0.128 0.000 2.126 483 F HA -0.128 4.425 4.527 0.044 0.000 0.299 483 F C 2.219 177.943 175.800 -0.127 0.000 1.096 483 F CA 1.432 59.308 58.000 -0.208 0.000 1.255 483 F CB -0.459 38.331 39.000 -0.350 0.000 0.997 483 F HN 0.030 nan 8.300 nan 0.000 0.479 484 A N 0.570 123.327 122.820 -0.105 0.000 1.902 484 A HA -0.188 4.158 4.320 0.044 0.000 0.217 484 A C 2.342 179.826 177.584 -0.168 0.000 1.181 484 A CA 1.759 53.704 52.037 -0.153 0.000 0.623 484 A CB -0.709 18.266 19.000 -0.043 0.000 0.818 484 A HN 0.471 nan 8.150 nan 0.000 0.443 485 R N -1.133 119.298 120.500 -0.115 0.000 2.092 485 R HA -0.067 4.300 4.340 0.044 0.000 0.231 485 R C 1.854 178.074 176.300 -0.133 0.000 1.119 485 R CA 1.811 57.854 56.100 -0.096 0.000 0.970 485 R CB -0.174 30.095 30.300 -0.051 0.000 0.864 485 R HN 0.747 nan 8.270 nan 0.000 0.440 486 T N -6.119 108.328 114.554 -0.179 0.000 2.993 486 T HA 0.240 4.616 4.350 0.044 0.000 0.260 486 T C 1.207 175.774 174.700 -0.223 0.000 0.939 486 T CA 0.336 62.342 62.100 -0.158 0.000 0.886 486 T CB 1.302 70.116 68.868 -0.090 0.000 1.209 486 T HN 0.290 nan 8.240 nan 0.000 0.518 487 G N 1.474 110.005 108.800 -0.448 0.000 2.143 487 G HA2 -0.163 3.823 3.960 0.044 0.000 0.249 487 G HA3 -0.163 3.823 3.960 0.044 0.000 0.249 487 G C -0.361 174.478 174.900 -0.102 0.000 0.981 487 G CA 0.217 44.978 45.100 -0.566 0.000 0.665 487 G HN 0.803 nan 8.290 nan 0.000 0.528 488 D N -0.536 119.796 120.400 -0.114 0.000 2.602 488 D HA 0.419 5.085 4.640 0.044 0.000 0.245 488 D C -1.239 174.923 176.300 -0.230 0.000 1.325 488 D CA -1.573 52.315 54.000 -0.188 0.000 0.952 488 D CB 2.022 42.796 40.800 -0.043 0.000 1.317 488 D HN 0.018 nan 8.370 nan 0.000 0.577 489 P HA -0.072 nan 4.420 nan 0.000 0.230 489 P C 0.036 177.375 177.300 0.064 0.000 1.158 489 P CA 0.129 63.083 63.100 -0.242 0.000 0.769 489 P CB 0.366 31.603 31.700 -0.772 0.000 0.807 490 N N 1.951 120.640 118.700 -0.018 0.000 2.497 490 N HA 0.008 4.774 4.740 0.044 0.000 0.268 490 N C 0.109 175.697 175.510 0.131 0.000 1.171 490 N CA 0.407 53.543 53.050 0.143 0.000 0.948 490 N CB 0.246 38.798 38.487 0.109 0.000 1.069 490 N HN 0.010 nan 8.380 nan 0.000 0.460 491 D N 2.478 122.977 120.400 0.165 0.000 2.382 491 D HA 0.076 4.742 4.640 0.044 0.000 0.259 491 D C -1.483 174.861 176.300 0.074 0.000 1.224 491 D CA -1.466 52.593 54.000 0.097 0.000 0.894 491 D CB 1.024 41.873 40.800 0.081 0.000 1.127 491 D HN 0.294 nan 8.370 nan 0.000 0.487 492 P HA -0.005 nan 4.420 nan 0.000 0.233 492 P C 0.969 178.292 177.300 0.037 0.000 1.167 492 P CA 0.761 63.885 63.100 0.041 0.000 0.770 492 P CB 0.340 32.057 31.700 0.027 0.000 0.837 493 R N 0.042 120.564 120.500 0.037 0.000 2.146 493 R HA 0.091 4.457 4.340 0.044 0.000 0.206 493 R C 0.832 177.155 176.300 0.037 0.000 1.049 493 R CA 0.598 56.717 56.100 0.031 0.000 1.029 493 R CB -1.590 28.724 30.300 0.024 0.000 0.949 493 R HN 0.169 nan 8.270 nan 0.000 0.471 494 D N 1.796 122.224 120.400 0.047 0.000 2.346 494 D HA 0.137 4.803 4.640 0.044 0.000 0.260 494 D C -0.532 175.805 176.300 0.062 0.000 1.252 494 D CA 0.399 54.431 54.000 0.054 0.000 0.895 494 D CB 0.723 41.564 40.800 0.067 0.000 1.097 494 D HN 0.483 nan 8.370 nan 0.000 0.489 495 S N 3.087 118.817 115.700 0.051 0.000 2.525 495 S HA 0.570 5.067 4.470 0.044 0.000 0.290 495 S C -0.328 174.303 174.600 0.052 0.000 1.152 495 S CA -1.036 57.196 58.200 0.052 0.000 1.072 495 S CB 1.558 64.784 63.200 0.042 0.000 1.027 495 S HN 0.564 nan 8.310 nan 0.000 0.500 496 K N 0.770 121.204 120.400 0.056 0.000 7.076 496 K HA -0.170 4.176 4.320 0.044 0.000 0.747 496 K C 0.225 176.864 176.600 0.064 0.000 2.505 496 K CA 0.941 57.260 56.287 0.053 0.000 1.814 496 K CB -1.305 31.220 32.500 0.041 0.000 2.142 496 K HN 1.059 nan 8.250 nan 0.000 0.274 497 S N 1.255 116.997 115.700 0.070 0.000 3.352 497 S HA 0.287 4.783 4.470 0.044 0.000 0.242 497 S C -2.144 172.499 174.600 0.072 0.000 1.075 497 S CA 0.013 58.265 58.200 0.085 0.000 1.026 497 S CB -0.289 62.988 63.200 0.128 0.000 1.009 497 S HN 0.536 nan 8.310 nan 0.000 0.429 498 P HA 0.471 nan 4.420 nan 0.000 0.297 498 P C -0.684 176.684 177.300 0.113 0.000 1.303 498 P CA -0.442 62.703 63.100 0.074 0.000 0.753 498 P CB 0.269 32.000 31.700 0.052 0.000 1.281 499 Q N -0.961 118.917 119.800 0.128 0.000 2.299 499 Q HA 0.112 4.478 4.340 0.044 0.000 0.246 499 Q C -0.618 175.532 176.000 0.251 0.000 0.935 499 Q CA -0.062 55.854 55.803 0.188 0.000 0.887 499 Q CB 0.436 29.276 28.738 0.171 0.000 1.223 499 Q HN 0.504 nan 8.270 nan 0.000 0.439 500 W N 5.417 126.765 121.300 0.080 0.000 2.546 500 W HA 0.248 4.935 4.660 0.046 0.000 0.323 500 W C -2.428 174.223 176.519 0.221 0.000 1.272 500 W CA -2.335 55.066 57.345 0.094 0.000 1.404 500 W CB 0.011 29.461 29.460 -0.017 0.000 1.411 500 W HN 0.387 nan 8.180 nan 0.000 0.480 501 P HA 0.275 nan 4.420 nan 0.000 0.277 501 P C -2.582 174.960 177.300 0.403 0.000 1.240 501 P CA -1.695 61.648 63.100 0.405 0.000 0.798 501 P CB 0.425 32.271 31.700 0.243 0.000 0.979 502 P HA 0.077 nan 4.420 nan 0.000 0.271 502 P C -0.772 176.519 177.300 -0.014 0.000 1.216 502 P CA -0.004 62.920 63.100 -0.294 0.000 0.776 502 P CB 0.079 31.571 31.700 -0.346 0.000 0.881 503 Y N 3.198 123.445 120.300 -0.087 0.000 2.465 503 Y HA 0.314 4.890 4.550 0.043 0.000 0.331 503 Y C 0.454 176.342 175.900 -0.019 0.000 1.102 503 Y CA 0.807 58.922 58.100 0.024 0.000 1.358 503 Y CB 0.232 38.725 38.460 0.056 0.000 1.213 503 Y HN 0.400 nan 8.280 nan 0.000 0.525 504 T N 0.188 114.455 114.554 -0.479 0.000 2.896 504 T HA 0.244 4.620 4.350 0.044 0.000 0.297 504 T C 0.793 175.230 174.700 -0.437 0.000 1.108 504 T CA -0.235 61.688 62.100 -0.294 0.000 1.004 504 T CB 1.310 70.084 68.868 -0.157 0.000 1.159 504 T HN 0.617 nan 8.240 nan 0.000 0.499 505 T N -0.617 113.832 114.554 -0.175 0.000 2.962 505 T HA 0.077 4.454 4.350 0.044 0.000 0.270 505 T C 2.130 176.770 174.700 -0.101 0.000 1.088 505 T CA 0.807 62.845 62.100 -0.104 0.000 1.127 505 T CB -0.635 68.235 68.868 0.002 0.000 0.883 505 T HN 0.859 nan 8.240 nan 0.000 0.493 506 A N 2.139 124.899 122.820 -0.099 0.000 1.823 506 A HA 0.491 4.837 4.320 0.044 0.000 0.214 506 A C 2.742 180.281 177.584 -0.075 0.000 1.225 506 A CA 1.444 53.443 52.037 -0.064 0.000 0.604 506 A CB -1.377 17.596 19.000 -0.045 0.000 0.878 506 A HN 0.657 nan 8.150 nan 0.000 0.450 507 A N -2.118 120.643 122.820 -0.100 0.000 2.072 507 A HA 0.175 4.522 4.320 0.044 0.000 0.216 507 A C 1.001 178.524 177.584 -0.101 0.000 1.156 507 A CA 1.001 52.993 52.037 -0.074 0.000 0.701 507 A CB -0.424 18.547 19.000 -0.048 0.000 0.816 507 A HN 0.619 nan 8.150 nan 0.000 0.458 508 Q N -0.524 119.110 119.800 -0.277 0.000 2.453 508 Q HA -0.224 4.142 4.340 0.044 0.000 0.294 508 Q C -0.694 175.308 176.000 0.002 0.000 1.295 508 Q CA 0.687 56.259 55.803 -0.386 0.000 0.853 508 Q CB -1.728 26.971 28.738 -0.064 0.000 1.193 508 Q HN 0.844 nan 8.270 nan 0.000 0.461 509 Q N 0.253 120.055 119.800 0.003 0.000 2.293 509 Q HA 0.529 4.895 4.340 0.044 0.000 0.251 509 Q C -0.375 175.907 176.000 0.470 0.000 0.930 509 Q CA -0.088 55.827 55.803 0.188 0.000 0.893 509 Q CB 0.690 29.486 28.738 0.097 0.000 1.215 509 Q HN 0.346 nan 8.270 nan 0.000 0.425 510 Y N -1.772 118.676 120.300 0.246 0.000 2.705 510 Y HA 0.731 5.306 4.550 0.042 0.000 0.332 510 Y C -1.237 174.697 175.900 0.057 0.000 1.221 510 Y CA -1.498 56.759 58.100 0.262 0.000 1.059 510 Y CB 0.517 39.133 38.460 0.260 0.000 1.298 510 Y HN 0.368 nan 8.280 nan 0.000 0.459 511 V N -0.545 119.311 119.914 -0.097 0.000 2.960 511 V HA 0.871 5.017 4.120 0.044 0.000 0.315 511 V C -0.374 175.633 176.094 -0.145 0.000 1.087 511 V CA -0.574 61.503 62.300 -0.371 0.000 0.982 511 V CB 1.384 32.724 31.823 -0.805 0.000 1.039 511 V HN 1.239 nan 8.190 nan 0.000 0.437 512 S N 3.524 119.135 115.700 -0.148 0.000 2.525 512 S HA 0.729 5.225 4.470 0.044 0.000 0.278 512 S C -0.473 174.090 174.600 -0.063 0.000 1.234 512 S CA -0.690 57.498 58.200 -0.020 0.000 1.058 512 S CB 0.754 63.937 63.200 -0.029 0.000 0.983 512 S HN 0.781 nan 8.310 nan 0.000 0.495 513 L N 4.026 125.259 121.223 0.017 0.000 2.276 513 L HA 0.542 4.909 4.340 0.044 0.000 0.286 513 L C -0.237 176.546 176.870 -0.146 0.000 1.024 513 L CA -0.410 54.454 54.840 0.039 0.000 0.826 513 L CB 0.134 42.295 42.059 0.170 0.000 1.211 513 L HN 0.961 nan 8.230 nan 0.000 0.422 514 N N 2.170 120.710 118.700 -0.266 0.000 3.449 514 N HA 0.285 5.051 4.740 0.044 0.000 0.312 514 N C 0.131 175.054 175.510 -0.978 0.000 1.557 514 N CA -0.952 51.655 53.050 -0.737 0.000 0.864 514 N CB 0.566 38.819 38.487 -0.390 0.000 1.799 514 N HN 0.203 nan 8.380 nan 0.000 0.554 515 L N -0.681 120.023 121.223 -0.865 0.000 2.201 515 L HA 0.075 4.441 4.340 0.044 0.000 0.212 515 L C 0.645 177.329 176.870 -0.310 0.000 1.105 515 L CA 0.944 55.397 54.840 -0.644 0.000 0.775 515 L CB -0.523 41.258 42.059 -0.463 0.000 0.913 515 L HN 0.388 nan 8.230 nan 0.000 0.440 516 K N 0.428 120.688 120.400 -0.233 0.000 2.138 516 K HA 0.245 4.591 4.320 0.044 0.000 0.251 516 K C -2.172 174.375 176.600 -0.088 0.000 1.015 516 K CA -1.813 54.398 56.287 -0.127 0.000 0.917 516 K CB -0.139 32.301 32.500 -0.099 0.000 1.021 516 K HN -0.176 nan 8.250 nan 0.000 0.485 517 P HA 0.030 nan 4.420 nan 0.000 0.272 517 P C -0.238 177.056 177.300 -0.010 0.000 1.240 517 P CA -0.302 62.799 63.100 0.001 0.000 0.791 517 P CB 0.387 32.092 31.700 0.008 0.000 0.978 518 L N 1.149 122.382 121.223 0.017 0.000 2.615 518 L HA -0.077 4.289 4.340 0.044 0.000 0.284 518 L C 1.060 177.888 176.870 -0.071 0.000 1.237 518 L CA 0.982 55.791 54.840 -0.051 0.000 0.905 518 L CB -0.288 41.742 42.059 -0.049 0.000 1.149 518 L HN 0.502 nan 8.230 nan 0.000 0.499 519 E N 3.118 123.249 120.200 -0.116 0.000 2.210 519 E HA 0.390 4.766 4.350 0.044 0.000 0.266 519 E C -1.420 175.079 176.600 -0.170 0.000 0.883 519 E CA -0.786 55.548 56.400 -0.110 0.000 0.761 519 E CB 2.046 31.690 29.700 -0.093 0.000 1.156 519 E HN 0.291 nan 8.360 nan 0.000 0.412 520 V N 5.273 125.102 119.914 -0.142 0.000 2.406 520 V HA 0.384 4.530 4.120 0.044 0.000 0.272 520 V C 0.217 176.173 176.094 -0.229 0.000 1.043 520 V CA -0.252 61.942 62.300 -0.177 0.000 0.915 520 V CB 0.884 32.661 31.823 -0.076 0.000 0.988 520 V HN 0.662 nan 8.190 nan 0.000 0.466 521 R N 4.176 124.408 120.500 -0.448 0.000 2.832 521 R HA 0.746 5.112 4.340 0.044 0.000 0.271 521 R C -0.694 175.414 176.300 -0.320 0.000 0.996 521 R CA -0.989 54.840 56.100 -0.452 0.000 0.977 521 R CB 2.289 32.192 30.300 -0.661 0.000 1.168 521 R HN 0.577 nan 8.270 nan 0.000 0.482 522 R N 0.042 120.525 120.500 -0.028 0.000 2.562 522 R HA 0.484 4.850 4.340 0.044 0.000 0.298 522 R C -0.725 175.752 176.300 0.295 0.000 0.961 522 R CA -0.461 55.724 56.100 0.140 0.000 0.881 522 R CB 2.187 32.529 30.300 0.070 0.000 1.159 522 R HN 0.899 nan 8.270 nan 0.000 0.450 523 G N 2.280 111.304 108.800 0.374 0.000 3.445 523 G HA2 -0.209 3.777 3.960 0.044 0.000 0.680 523 G HA3 -0.209 3.777 3.960 0.044 0.000 0.680 523 G C -1.166 173.924 174.900 0.316 0.000 0.972 523 G CA -0.913 44.368 45.100 0.302 0.000 0.798 523 G HN 0.399 nan 8.290 nan 0.000 0.461 524 L N 4.067 125.371 121.223 0.136 0.000 2.328 524 L HA 0.545 4.911 4.340 0.044 0.000 0.280 524 L C 1.572 178.450 176.870 0.013 0.000 1.111 524 L CA -0.237 54.522 54.840 -0.135 0.000 0.909 524 L CB -0.222 41.659 42.059 -0.296 0.000 1.277 524 L HN 0.695 nan 8.230 nan 0.000 0.433 525 R N 2.969 123.517 120.500 0.079 0.000 3.225 525 R HA -0.299 4.067 4.340 0.044 0.000 0.245 525 R C 1.345 177.736 176.300 0.152 0.000 0.928 525 R CA 0.535 56.715 56.100 0.134 0.000 0.632 525 R CB -1.619 28.770 30.300 0.149 0.000 1.038 525 R HN 0.805 nan 8.270 nan 0.000 0.461 526 A N 0.611 123.519 122.820 0.147 0.000 1.883 526 A HA -0.240 4.106 4.320 0.044 0.000 0.217 526 A C 2.041 179.715 177.584 0.150 0.000 1.186 526 A CA 1.176 53.300 52.037 0.144 0.000 0.624 526 A CB -0.091 18.990 19.000 0.135 0.000 0.822 526 A HN 0.424 nan 8.150 nan 0.000 0.444 527 Q N -0.671 119.217 119.800 0.147 0.000 2.046 527 Q HA -0.109 4.257 4.340 0.044 0.000 0.200 527 Q C 2.257 178.381 176.000 0.207 0.000 0.975 527 Q CA 2.108 58.003 55.803 0.153 0.000 0.836 527 Q CB -1.104 27.709 28.738 0.125 0.000 0.896 527 Q HN 0.652 nan 8.270 nan 0.000 0.428 528 T N 0.580 115.279 114.554 0.241 0.000 2.821 528 T HA -0.103 4.273 4.350 0.044 0.000 0.267 528 T C 2.065 177.000 174.700 0.392 0.000 1.046 528 T CA 1.082 63.354 62.100 0.287 0.000 1.139 528 T CB -0.270 68.800 68.868 0.337 0.000 0.871 528 T HN 0.304 nan 8.240 nan 0.000 0.454 529 c N 1.634 120.444 118.600 0.350 0.000 2.432 529 c HA 0.187 4.783 4.570 0.044 0.000 0.280 529 c C 3.149 177.408 174.090 0.283 0.000 1.353 529 c CA 0.103 56.646 56.329 0.357 0.000 1.766 529 c CB -1.395 41.244 42.510 0.214 0.000 1.924 529 c HN 0.644 nan 8.230 nan 0.000 0.509 530 A N 0.333 123.284 122.820 0.219 0.000 1.908 530 A HA -0.215 4.131 4.320 0.044 0.000 0.218 530 A C 1.891 179.580 177.584 0.175 0.000 1.181 530 A CA 1.773 53.913 52.037 0.171 0.000 0.627 530 A CB -0.851 18.236 19.000 0.144 0.000 0.818 530 A HN 0.570 nan 8.150 nan 0.000 0.445 531 F N -0.858 119.096 119.950 0.007 0.000 2.095 531 F HA -0.202 4.353 4.527 0.047 0.000 0.298 531 F C 1.936 177.693 175.800 -0.072 0.000 1.104 531 F CA 1.825 59.756 58.000 -0.116 0.000 1.232 531 F CB -0.513 38.176 39.000 -0.518 0.000 0.987 531 F HN 0.384 nan 8.300 nan 0.000 0.475 532 W N 0.481 121.721 121.300 -0.099 0.000 2.409 532 W HA -0.101 4.584 4.660 0.042 0.000 0.299 532 W C 2.185 178.624 176.519 -0.133 0.000 1.203 532 W CA 0.943 58.182 57.345 -0.177 0.000 1.298 532 W CB -0.456 29.046 29.460 0.070 0.000 1.127 532 W HN -0.049 nan 8.180 nan 0.000 0.528 533 N N -0.507 118.304 118.700 0.185 0.000 2.395 533 N HA 0.029 4.796 4.740 0.044 0.000 0.175 533 N C 1.486 177.024 175.510 0.047 0.000 1.029 533 N CA 0.916 54.028 53.050 0.103 0.000 0.897 533 N CB -0.177 38.371 38.487 0.102 0.000 0.991 533 N HN 0.226 nan 8.380 nan 0.000 0.441 534 R N -1.344 119.186 120.500 0.049 0.000 2.167 534 R HA 0.224 4.590 4.340 0.044 0.000 0.195 534 R C 1.353 177.684 176.300 0.052 0.000 1.027 534 R CA 0.086 56.219 56.100 0.054 0.000 1.114 534 R CB -0.178 30.176 30.300 0.089 0.000 1.075 534 R HN 0.063 nan 8.270 nan 0.000 0.538 535 F N 1.458 121.327 119.950 -0.134 0.000 2.262 535 F HA 0.092 4.645 4.527 0.044 0.000 0.292 535 F C 1.922 177.572 175.800 -0.250 0.000 1.081 535 F CA 0.643 58.547 58.000 -0.160 0.000 1.355 535 F CB -0.111 38.819 39.000 -0.117 0.000 1.069 535 F HN -0.143 nan 8.300 nan 0.000 0.506 536 L N 1.311 122.199 121.223 -0.559 0.000 2.043 536 L HA -0.149 4.217 4.340 0.044 0.000 0.212 536 L C -0.517 176.098 176.870 -0.427 0.000 1.075 536 L CA 2.351 56.798 54.840 -0.654 0.000 0.752 536 L CB -2.249 39.425 42.059 -0.642 0.000 0.891 536 L HN 0.089 nan 8.230 nan 0.000 0.432 537 P HA -0.176 nan 4.420 nan 0.000 0.215 537 P C 1.512 178.681 177.300 -0.218 0.000 1.157 537 P CA 1.532 64.524 63.100 -0.180 0.000 0.868 537 P CB -0.016 31.620 31.700 -0.107 0.000 0.788 538 K N -0.886 119.357 120.400 -0.262 0.000 2.103 538 K HA -0.164 4.182 4.320 0.044 0.000 0.207 538 K C 1.967 178.369 176.600 -0.331 0.000 1.048 538 K CA 1.112 57.250 56.287 -0.248 0.000 0.930 538 K CB -0.922 31.452 32.500 -0.209 0.000 0.716 538 K HN 0.053 nan 8.250 nan 0.000 0.444 539 L N 1.077 121.961 121.223 -0.565 0.000 2.093 539 L HA -0.103 4.263 4.340 0.044 0.000 0.208 539 L C 1.729 178.443 176.870 -0.260 0.000 1.085 539 L CA 1.550 56.090 54.840 -0.500 0.000 0.755 539 L CB -0.153 41.485 42.059 -0.701 0.000 0.904 539 L HN 0.131 nan 8.230 nan 0.000 0.435 540 L N -1.232 119.855 121.223 -0.226 0.000 2.249 540 L HA -0.033 4.334 4.340 0.044 0.000 0.207 540 L C 2.500 179.309 176.870 -0.103 0.000 1.090 540 L CA 0.910 55.668 54.840 -0.136 0.000 0.802 540 L CB -0.512 41.480 42.059 -0.112 0.000 0.947 540 L HN 0.392 nan 8.230 nan 0.000 0.453 541 S N 0.190 115.823 115.700 -0.112 0.000 2.447 541 S HA -0.070 4.426 4.470 0.044 0.000 0.233 541 S C 1.620 176.180 174.600 -0.067 0.000 1.006 541 S CA 0.764 58.916 58.200 -0.079 0.000 0.957 541 S CB -0.195 62.959 63.200 -0.077 0.000 0.773 541 S HN 0.304 nan 8.310 nan 0.000 0.507 542 A N 0.382 123.153 122.820 -0.081 0.000 2.500 542 A HA 0.503 4.849 4.320 0.044 0.000 0.267 542 A C 1.293 178.845 177.584 -0.053 0.000 1.290 542 A CA 0.401 52.403 52.037 -0.058 0.000 0.928 542 A CB -0.726 18.240 19.000 -0.056 0.000 1.066 542 A HN 0.424 nan 8.150 nan 0.000 0.516 543 T N -0.482 114.037 114.554 -0.060 0.000 13.218 543 T HA -0.305 4.071 4.350 0.044 0.000 0.419 543 T C 0.915 175.589 174.700 -0.043 0.000 1.441 543 T CA 2.808 64.879 62.100 -0.048 0.000 2.361 543 T CB -1.350 67.498 68.868 -0.032 0.000 2.810 543 T HN 2.224 nan 8.240 nan 0.000 0.629 544 A N 0.000 122.803 122.820 -0.028 0.000 2.254 544 A HA 0.000 4.346 4.320 0.044 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.026 19.000 0.044 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486