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 1j06_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 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 0.000 176.626 176.600 0.044 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 D N 5.803 126.237 120.400 0.057 0.000 2.338 5 D HA 0.149 4.813 4.640 0.039 0.000 0.255 5 D C -1.314 175.041 176.300 0.091 0.000 1.237 5 D CA -2.102 51.949 54.000 0.085 0.000 0.883 5 D CB 1.426 42.297 40.800 0.118 0.000 1.087 5 D HN 0.266 nan 8.370 nan 0.000 0.485 6 P HA -0.155 nan 4.420 nan 0.000 0.225 6 P C 0.974 178.318 177.300 0.075 0.000 1.148 6 P CA 0.722 63.857 63.100 0.059 0.000 0.779 6 P CB 0.552 32.270 31.700 0.030 0.000 0.780 7 Q N -0.452 119.400 119.800 0.086 0.000 2.297 7 Q HA 0.074 4.437 4.340 0.039 0.000 0.204 7 Q C 2.015 178.164 176.000 0.249 0.000 0.962 7 Q CA 0.790 56.651 55.803 0.096 0.000 0.879 7 Q CB -0.211 28.492 28.738 -0.058 0.000 0.947 7 Q HN 0.426 nan 8.270 nan 0.000 0.462 8 L N -0.039 121.324 121.223 0.233 0.000 2.628 8 L HA 0.214 4.577 4.340 0.039 0.000 0.229 8 L C 0.353 177.426 176.870 0.338 0.000 1.137 8 L CA -0.047 54.934 54.840 0.234 0.000 0.909 8 L CB 0.299 42.404 42.059 0.077 0.000 1.137 8 L HN -0.014 nan 8.230 nan 0.000 0.470 9 L N 0.846 122.221 121.223 0.254 0.000 2.305 9 L HA 0.536 4.900 4.340 0.039 0.000 0.284 9 L C -0.825 176.097 176.870 0.087 0.000 1.013 9 L CA -0.420 54.532 54.840 0.185 0.000 0.819 9 L CB 1.994 44.116 42.059 0.104 0.000 1.227 9 L HN -0.210 nan 8.230 nan 0.000 0.417 10 V N 3.316 123.239 119.914 0.016 0.000 2.962 10 V HA 0.564 4.707 4.120 0.039 0.000 0.313 10 V C -0.557 175.452 176.094 -0.141 0.000 1.099 10 V CA -0.924 61.236 62.300 -0.233 0.000 0.971 10 V CB 2.308 33.680 31.823 -0.751 0.000 1.028 10 V HN 0.683 nan 8.190 nan 0.000 0.430 11 R N 1.777 122.163 120.500 -0.189 0.000 2.393 11 R HA 0.782 5.145 4.340 0.039 0.000 0.315 11 R C -1.018 175.188 176.300 -0.155 0.000 0.952 11 R CA -0.344 55.692 56.100 -0.106 0.000 0.842 11 R CB 1.785 32.028 30.300 -0.095 0.000 1.163 11 R HN 0.788 nan 8.270 nan 0.000 0.450 12 V N 1.420 121.298 119.914 -0.060 0.000 3.166 12 V HA 0.480 4.624 4.120 0.039 0.000 0.317 12 V C 1.202 177.222 176.094 -0.122 0.000 1.136 12 V CA -0.990 61.269 62.300 -0.069 0.000 1.035 12 V CB 1.859 33.784 31.823 0.170 0.000 1.110 12 V HN 0.840 nan 8.190 nan 0.000 0.450 13 R N 1.155 121.562 120.500 -0.155 0.000 2.170 13 R HA -0.093 4.271 4.340 0.039 0.000 0.242 13 R C 1.946 178.094 176.300 -0.253 0.000 1.145 13 R CA 1.784 57.783 56.100 -0.168 0.000 0.984 13 R CB -0.598 29.622 30.300 -0.134 0.000 0.869 13 R HN 0.994 nan 8.270 nan 0.000 0.455 14 G N -0.685 107.901 108.800 -0.357 0.000 2.777 14 G HA2 0.306 4.289 3.960 0.039 0.000 0.211 14 G HA3 0.306 4.289 3.960 0.039 0.000 0.211 14 G C 0.429 174.323 174.900 -1.677 0.000 1.149 14 G CA 0.497 45.067 45.100 -0.884 0.000 0.785 14 G HN 0.568 nan 8.290 nan 0.000 0.536 15 G N -1.080 107.077 108.800 -1.072 0.000 2.339 15 G HA2 0.161 4.145 3.960 0.039 0.000 0.275 15 G HA3 0.161 4.145 3.960 0.039 0.000 0.275 15 G C -1.274 173.624 174.900 -0.003 0.000 1.323 15 G CA -0.944 43.694 45.100 -0.770 0.000 0.927 15 G HN 0.255 nan 8.290 nan 0.000 0.486 16 Q N -0.407 119.556 119.800 0.272 0.000 2.230 16 Q HA 0.708 5.071 4.340 0.039 0.000 0.248 16 Q C -0.497 175.785 176.000 0.470 0.000 0.915 16 Q CA -0.249 55.742 55.803 0.314 0.000 0.900 16 Q CB 1.837 30.687 28.738 0.188 0.000 1.229 16 Q HN 0.455 nan 8.270 nan 0.000 0.439 17 L N 1.163 122.574 121.223 0.314 0.000 2.354 17 L HA 0.652 5.015 4.340 0.039 0.000 0.264 17 L C -0.531 176.504 176.870 0.276 0.000 1.008 17 L CA -0.887 54.132 54.840 0.299 0.000 0.819 17 L CB 2.204 44.476 42.059 0.355 0.000 1.339 17 L HN 0.472 nan 8.230 nan 0.000 0.420 18 R N 0.443 121.091 120.500 0.246 0.000 2.483 18 R HA 0.633 4.996 4.340 0.039 0.000 0.303 18 R C -0.376 176.016 176.300 0.152 0.000 0.987 18 R CA -0.333 55.890 56.100 0.205 0.000 0.881 18 R CB 1.639 31.999 30.300 0.100 0.000 1.177 18 R HN 0.811 nan 8.270 nan 0.000 0.451 19 G N 3.334 112.187 108.800 0.087 0.000 2.531 19 G HA2 0.445 4.428 3.960 0.039 0.000 0.281 19 G HA3 0.445 4.428 3.960 0.039 0.000 0.281 19 G C -0.869 173.826 174.900 -0.341 0.000 1.382 19 G CA -0.702 44.134 45.100 -0.439 0.000 1.045 19 G HN 0.594 nan 8.290 nan 0.000 0.533 20 I N -1.083 119.227 120.570 -0.432 0.000 2.686 20 I HA 0.532 4.725 4.170 0.039 0.000 0.295 20 I C -0.312 175.637 176.117 -0.280 0.000 1.114 20 I CA -1.151 59.983 61.300 -0.278 0.000 1.038 20 I CB 2.202 40.057 38.000 -0.242 0.000 1.238 20 I HN 0.472 nan 8.210 nan 0.000 0.420 21 R N 7.325 127.688 120.500 -0.228 0.000 2.267 21 R HA 0.548 4.912 4.340 0.039 0.000 0.319 21 R C -1.646 174.514 176.300 -0.234 0.000 1.067 21 R CA -0.295 55.634 56.100 -0.286 0.000 0.936 21 R CB 0.604 30.660 30.300 -0.407 0.000 1.006 21 R HN 0.638 nan 8.270 nan 0.000 0.452 22 L N 3.347 124.455 121.223 -0.192 0.000 2.330 22 L HA 0.453 4.816 4.340 0.039 0.000 0.271 22 L C -0.301 176.491 176.870 -0.130 0.000 1.013 22 L CA -1.228 53.532 54.840 -0.132 0.000 0.816 22 L CB 1.730 43.750 42.059 -0.065 0.000 1.287 22 L HN 0.435 nan 8.230 nan 0.000 0.435 23 K N 1.943 122.277 120.400 -0.110 0.000 2.248 23 K HA 0.624 4.967 4.320 0.039 0.000 0.281 23 K C -0.817 175.721 176.600 -0.102 0.000 1.054 23 K CA -0.054 56.176 56.287 -0.095 0.000 0.903 23 K CB 1.251 33.708 32.500 -0.072 0.000 1.077 23 K HN 0.613 nan 8.250 nan 0.000 0.474 24 A N 5.910 128.676 122.820 -0.090 0.000 2.356 24 A HA 0.549 4.893 4.320 0.039 0.000 0.323 24 A C -1.960 175.623 177.584 -0.002 0.000 1.119 24 A CA -1.826 50.147 52.037 -0.107 0.000 0.790 24 A CB 0.942 19.868 19.000 -0.123 0.000 1.273 24 A HN 0.650 nan 8.150 nan 0.000 0.452 25 P HA -0.212 nan 4.420 nan 0.000 0.219 25 P C 1.285 178.620 177.300 0.059 0.000 1.158 25 P CA 2.480 65.636 63.100 0.094 0.000 0.895 25 P CB 0.249 32.042 31.700 0.156 0.000 0.792 26 G N -2.591 106.245 108.800 0.061 0.000 3.284 26 G HA2 0.471 4.454 3.960 0.039 0.000 0.236 26 G HA3 0.471 4.454 3.960 0.039 0.000 0.236 26 G C 0.451 175.374 174.900 0.038 0.000 1.158 26 G CA 0.410 45.538 45.100 0.046 0.000 0.774 26 G HN 0.633 nan 8.290 nan 0.000 0.545 27 G N -0.300 108.515 108.800 0.025 0.000 2.369 27 G HA2 0.321 4.304 3.960 0.039 0.000 0.293 27 G HA3 0.321 4.304 3.960 0.039 0.000 0.293 27 G C -3.417 171.481 174.900 -0.003 0.000 1.301 27 G CA -0.668 44.446 45.100 0.022 0.000 0.913 27 G HN 0.064 nan 8.290 nan 0.000 0.540 28 P HA 0.563 nan 4.420 nan 0.000 0.281 28 P C -0.179 177.131 177.300 0.017 0.000 1.249 28 P CA -0.280 62.766 63.100 -0.090 0.000 0.810 28 P CB 1.825 33.352 31.700 -0.288 0.000 1.008 29 V N -1.264 118.643 119.914 -0.012 0.000 3.040 29 V HA 0.650 4.793 4.120 0.039 0.000 0.312 29 V C -0.396 175.757 176.094 0.098 0.000 1.115 29 V CA -0.892 61.481 62.300 0.121 0.000 0.998 29 V CB 1.786 33.686 31.823 0.128 0.000 1.042 29 V HN 0.445 nan 8.190 nan 0.000 0.433 30 S N 1.942 117.768 115.700 0.210 0.000 2.480 30 S HA 0.865 5.359 4.470 0.039 0.000 0.286 30 S C 0.018 174.589 174.600 -0.047 0.000 1.180 30 S CA 0.003 58.255 58.200 0.087 0.000 1.075 30 S CB 1.245 64.615 63.200 0.284 0.000 0.996 30 S HN 1.573 nan 8.310 nan 0.000 0.487 31 A N 2.705 125.295 122.820 -0.382 0.000 2.356 31 A HA 0.803 5.146 4.320 0.039 0.000 0.310 31 A C -1.222 175.905 177.584 -0.761 0.000 1.075 31 A CA -0.641 51.086 52.037 -0.516 0.000 0.746 31 A CB 0.500 19.176 19.000 -0.540 0.000 1.221 31 A HN 0.696 nan 8.150 nan 0.000 0.443 32 F N 2.974 122.767 119.950 -0.261 0.000 2.359 32 F HA 0.431 4.981 4.527 0.039 0.000 0.370 32 F C -0.141 175.483 175.800 -0.293 0.000 1.077 32 F CA -0.297 57.623 58.000 -0.134 0.000 1.136 32 F CB 1.106 40.185 39.000 0.132 0.000 1.387 32 F HN 0.353 nan 8.300 nan 0.000 0.468 33 L N 2.035 123.092 121.223 -0.276 0.000 2.325 33 L HA 0.690 5.053 4.340 0.039 0.000 0.279 33 L C 1.013 177.777 176.870 -0.177 0.000 1.054 33 L CA -0.934 53.692 54.840 -0.357 0.000 0.804 33 L CB 1.413 43.061 42.059 -0.685 0.000 1.200 33 L HN 0.811 nan 8.230 nan 0.000 0.436 34 G N 3.011 111.765 108.800 -0.077 0.000 2.256 34 G HA2 -0.247 3.736 3.960 0.039 0.000 0.272 34 G HA3 -0.247 3.736 3.960 0.039 0.000 0.272 34 G C -0.190 174.738 174.900 0.047 0.000 1.076 34 G CA -0.348 44.720 45.100 -0.054 0.000 0.882 34 G HN 0.477 nan 8.290 nan 0.000 0.497 35 I N 1.993 122.619 120.570 0.092 0.000 2.371 35 I HA 0.255 4.448 4.170 0.039 0.000 0.290 35 I C -1.460 174.729 176.117 0.120 0.000 1.028 35 I CA -2.279 59.060 61.300 0.066 0.000 1.345 35 I CB 1.258 39.253 38.000 -0.009 0.000 1.407 35 I HN -0.014 nan 8.210 nan 0.000 0.501 36 P HA 0.043 nan 4.420 nan 0.000 0.276 36 P C -0.263 176.962 177.300 -0.125 0.000 1.235 36 P CA 0.010 62.976 63.100 -0.224 0.000 0.772 36 P CB 0.569 32.160 31.700 -0.180 0.000 0.871 37 F N 1.131 120.911 119.950 -0.284 0.000 2.706 37 F HA 0.724 5.275 4.527 0.039 0.000 0.313 37 F C 0.052 175.832 175.800 -0.033 0.000 1.096 37 F CA -0.757 57.145 58.000 -0.164 0.000 1.219 37 F CB 0.169 38.968 39.000 -0.336 0.000 1.051 37 F HN 0.351 nan 8.300 nan 0.000 0.568 38 A N 0.032 122.589 122.820 -0.439 0.000 2.594 38 A HA 0.586 4.929 4.320 0.039 0.000 0.291 38 A C -0.919 176.512 177.584 -0.256 0.000 1.105 38 A CA -0.802 51.079 52.037 -0.260 0.000 0.694 38 A CB 0.951 19.747 19.000 -0.340 0.000 1.291 38 A HN 0.054 nan 8.150 nan 0.000 0.410 39 E N 1.093 121.219 120.200 -0.124 0.000 2.384 39 E HA 0.243 4.617 4.350 0.039 0.000 0.266 39 E C -2.311 174.196 176.600 -0.155 0.000 1.012 39 E CA -1.315 55.027 56.400 -0.097 0.000 0.901 39 E CB 0.061 29.739 29.700 -0.036 0.000 0.967 39 E HN 0.220 nan 8.360 nan 0.000 0.435 40 P HA -0.015 nan 4.420 nan 0.000 0.260 40 P C -2.186 175.046 177.300 -0.113 0.000 1.185 40 P CA -0.599 62.414 63.100 -0.145 0.000 0.763 40 P CB -0.040 31.612 31.700 -0.079 0.000 0.776 41 P HA 0.004 nan 4.420 nan 0.000 0.226 41 P C -0.339 176.899 177.300 -0.104 0.000 1.783 41 P CA 0.145 63.186 63.100 -0.098 0.000 0.980 41 P CB -0.122 31.522 31.700 -0.094 0.000 1.967 42 V N -2.416 117.443 119.914 -0.092 0.000 2.994 42 V HA 0.887 5.031 4.120 0.039 0.000 0.318 42 V C 1.035 177.081 176.094 -0.080 0.000 1.085 42 V CA 0.078 62.321 62.300 -0.096 0.000 0.998 42 V CB 0.767 32.540 31.823 -0.083 0.000 1.063 42 V HN 0.546 nan 8.190 nan 0.000 0.447 43 G N 2.302 111.053 108.800 -0.082 0.000 2.596 43 G HA2 -0.364 3.620 3.960 0.039 0.000 0.304 43 G HA3 -0.364 3.620 3.960 0.039 0.000 0.304 43 G C 1.288 176.154 174.900 -0.055 0.000 1.189 43 G CA 1.745 46.810 45.100 -0.059 0.000 0.986 43 G HN 2.391 nan 8.290 nan 0.000 0.548 44 S N 0.510 116.193 115.700 -0.030 0.000 2.547 44 S HA 0.059 4.552 4.470 0.039 0.000 0.235 44 S C 1.950 176.542 174.600 -0.014 0.000 0.980 44 S CA 1.635 59.829 58.200 -0.011 0.000 0.941 44 S CB -0.030 63.171 63.200 0.002 0.000 0.763 44 S HN 0.582 nan 8.310 nan 0.000 0.532 45 R N 1.084 121.559 120.500 -0.041 0.000 2.300 45 R HA 0.255 4.619 4.340 0.039 0.000 0.199 45 R C 0.881 177.130 176.300 -0.085 0.000 0.920 45 R CA -0.089 55.986 56.100 -0.043 0.000 1.046 45 R CB -0.478 29.794 30.300 -0.046 0.000 0.984 45 R HN 0.533 nan 8.270 nan 0.000 0.493 46 R N 0.648 121.044 120.500 -0.174 0.000 2.585 46 R HA -0.125 4.238 4.340 0.039 0.000 0.275 46 R C -0.202 175.866 176.300 -0.387 0.000 1.018 46 R CA 0.520 56.375 56.100 -0.408 0.000 1.072 46 R CB 0.082 29.981 30.300 -0.668 0.000 0.953 46 R HN 0.068 nan 8.270 nan 0.000 0.419 47 F N -0.730 119.228 119.950 0.013 0.000 2.705 47 F HA -0.290 4.261 4.527 0.039 0.000 0.413 47 F C 0.057 175.844 175.800 -0.022 0.000 0.588 47 F CA 0.536 58.520 58.000 -0.027 0.000 1.187 47 F CB -1.489 37.484 39.000 -0.044 0.000 1.737 47 F HN 0.448 nan 8.300 nan 0.000 0.285 48 M N 1.078 120.742 119.600 0.106 0.000 2.342 48 M HA 0.394 4.897 4.480 0.039 0.000 0.332 48 M C -1.966 174.362 176.300 0.046 0.000 1.166 48 M CA -1.485 53.859 55.300 0.072 0.000 1.086 48 M CB 0.555 33.183 32.600 0.047 0.000 1.541 48 M HN -0.353 nan 8.290 nan 0.000 0.462 49 P HA 0.113 nan 4.420 nan 0.000 0.266 49 P C -2.342 174.989 177.300 0.051 0.000 1.195 49 P CA -0.512 62.623 63.100 0.058 0.000 0.768 49 P CB -0.345 31.398 31.700 0.070 0.000 0.838 50 P HA 0.122 nan 4.420 nan 0.000 0.272 50 P C -0.660 176.677 177.300 0.061 0.000 1.223 50 P CA 0.172 63.301 63.100 0.048 0.000 0.784 50 P CB 1.026 32.777 31.700 0.085 0.000 0.923 51 E N 2.518 122.739 120.200 0.036 0.000 2.195 51 E HA 0.363 4.736 4.350 0.039 0.000 0.271 51 E C -2.174 174.464 176.600 0.063 0.000 0.923 51 E CA -2.473 53.958 56.400 0.051 0.000 0.790 51 E CB 1.269 30.989 29.700 0.033 0.000 1.155 51 E HN 0.412 nan 8.360 nan 0.000 0.402 52 P HA -0.049 nan 4.420 nan 0.000 0.266 52 P C -0.622 176.748 177.300 0.116 0.000 1.195 52 P CA -0.176 63.005 63.100 0.136 0.000 0.768 52 P CB 0.604 32.391 31.700 0.145 0.000 0.838 53 K N 3.800 124.291 120.400 0.151 0.000 2.451 53 K HA 0.024 4.367 4.320 0.039 0.000 0.280 53 K C 0.291 177.007 176.600 0.193 0.000 1.020 53 K CA 0.200 56.582 56.287 0.159 0.000 1.008 53 K CB 0.109 32.748 32.500 0.231 0.000 0.917 53 K HN 0.283 nan 8.250 nan 0.000 0.478 54 R N 5.034 125.630 120.500 0.158 0.000 2.594 54 R HA 0.150 4.513 4.340 0.039 0.000 0.272 54 R C -2.032 174.381 176.300 0.188 0.000 1.074 54 R CA -1.627 54.552 56.100 0.132 0.000 1.105 54 R CB 0.100 30.461 30.300 0.102 0.000 1.008 54 R HN 0.570 nan 8.270 nan 0.000 0.472 55 P HA -0.093 nan 4.420 nan 0.000 0.267 55 P C -1.185 176.144 177.300 0.048 0.000 1.200 55 P CA 0.222 63.245 63.100 -0.128 0.000 0.772 55 P CB 0.335 31.931 31.700 -0.174 0.000 0.855 56 W N 0.970 122.305 121.300 0.058 0.000 2.820 56 W HA 0.711 5.395 4.660 0.039 0.000 0.350 56 W C -0.635 175.910 176.519 0.043 0.000 1.116 56 W CA -0.997 56.379 57.345 0.052 0.000 1.146 56 W CB 0.102 29.602 29.460 0.065 0.000 1.433 56 W HN 0.366 nan 8.180 nan 0.000 0.561 57 S N 1.297 117.173 115.700 0.294 0.000 2.651 57 S HA 0.839 5.332 4.470 0.039 0.000 0.291 57 S C 0.509 175.263 174.600 0.256 0.000 1.141 57 S CA 0.078 58.382 58.200 0.173 0.000 1.027 57 S CB 0.907 64.176 63.200 0.115 0.000 1.043 57 S HN 2.208 nan 8.310 nan 0.000 0.530 58 G N 0.150 109.051 108.800 0.168 0.000 2.601 58 G HA2 -0.160 3.824 3.960 0.039 0.000 0.252 58 G HA3 -0.160 3.824 3.960 0.039 0.000 0.252 58 G C -0.674 174.364 174.900 0.230 0.000 1.294 58 G CA -0.250 44.948 45.100 0.163 0.000 0.912 58 G HN 1.712 nan 8.290 nan 0.000 0.574 59 V N 0.748 120.766 119.914 0.174 0.000 2.357 59 V HA 0.537 4.681 4.120 0.039 0.000 0.284 59 V C 0.489 176.656 176.094 0.122 0.000 1.018 59 V CA -0.491 61.916 62.300 0.179 0.000 0.841 59 V CB 1.210 33.104 31.823 0.119 0.000 0.991 59 V HN 0.845 nan 8.190 nan 0.000 0.437 60 L N 4.435 125.722 121.223 0.106 0.000 2.360 60 L HA 0.363 4.726 4.340 0.039 0.000 0.276 60 L C 0.259 177.100 176.870 -0.048 0.000 1.121 60 L CA 0.259 55.030 54.840 -0.114 0.000 0.845 60 L CB 0.819 42.571 42.059 -0.511 0.000 1.143 60 L HN 0.790 nan 8.230 nan 0.000 0.452 61 D N 4.325 124.682 120.400 -0.071 0.000 2.339 61 D HA 0.388 5.051 4.640 0.039 0.000 0.256 61 D C -0.166 176.089 176.300 -0.076 0.000 1.214 61 D CA 0.301 54.268 54.000 -0.054 0.000 0.877 61 D CB 1.013 41.773 40.800 -0.067 0.000 1.111 61 D HN 0.659 nan 8.370 nan 0.000 0.478 62 A N 3.277 126.076 122.820 -0.034 0.000 2.985 62 A HA 0.278 4.621 4.320 0.039 0.000 0.303 62 A C 0.890 178.399 177.584 -0.126 0.000 1.048 62 A CA -0.222 51.791 52.037 -0.041 0.000 1.016 62 A CB -0.237 18.837 19.000 0.123 0.000 1.118 62 A HN 0.588 nan 8.150 nan 0.000 0.529 63 T N -3.929 110.526 114.554 -0.165 0.000 3.054 63 T HA 0.323 4.696 4.350 0.039 0.000 0.255 63 T C 0.483 175.021 174.700 -0.270 0.000 1.035 63 T CA 0.542 62.510 62.100 -0.221 0.000 0.941 63 T CB 0.184 68.952 68.868 -0.165 0.000 1.026 63 T HN 0.351 nan 8.240 nan 0.000 0.533 64 T N 0.557 114.949 114.554 -0.270 0.000 2.900 64 T HA 0.599 4.972 4.350 0.039 0.000 0.303 64 T C -1.487 173.050 174.700 -0.271 0.000 1.142 64 T CA -0.790 61.144 62.100 -0.277 0.000 1.007 64 T CB 0.735 69.506 68.868 -0.162 0.000 1.156 64 T HN 0.084 nan 8.240 nan 0.000 0.490 65 F N 3.131 123.007 119.950 -0.124 0.000 2.518 65 F HA 0.327 4.877 4.527 0.039 0.000 0.359 65 F C 1.403 177.102 175.800 -0.168 0.000 1.118 65 F CA -0.058 57.872 58.000 -0.118 0.000 1.287 65 F CB 0.598 39.557 39.000 -0.068 0.000 1.132 65 F HN 0.417 nan 8.300 nan 0.000 0.587 66 Q N 1.606 121.413 119.800 0.012 0.000 2.189 66 Q HA 0.191 4.554 4.340 0.039 0.000 0.193 66 Q C -0.100 175.835 176.000 -0.109 0.000 1.034 66 Q CA -0.599 55.060 55.803 -0.240 0.000 1.062 66 Q CB 0.506 28.823 28.738 -0.703 0.000 1.118 66 Q HN 0.520 nan 8.270 nan 0.000 0.569 67 N N -0.290 118.322 118.700 -0.147 0.000 2.416 67 N HA 0.028 4.791 4.740 0.039 0.000 0.246 67 N C -0.544 174.956 175.510 -0.018 0.000 1.260 67 N CA 0.069 53.082 53.050 -0.062 0.000 0.897 67 N CB 0.456 38.915 38.487 -0.047 0.000 1.110 67 N HN 0.172 nan 8.380 nan 0.000 0.439 68 V N 1.718 121.598 119.914 -0.056 0.000 2.583 68 V HA 0.040 4.183 4.120 0.039 0.000 0.287 68 V C 0.670 176.722 176.094 -0.071 0.000 1.051 68 V CA -0.750 61.503 62.300 -0.079 0.000 1.010 68 V CB 0.768 32.510 31.823 -0.135 0.000 0.988 68 V HN 0.700 nan 8.190 nan 0.000 0.478 69 c N 4.773 123.341 118.600 -0.053 0.000 2.642 69 c HA 0.080 4.674 4.570 0.039 0.000 0.420 69 c C 0.538 174.562 174.090 -0.110 0.000 1.349 69 c CA -0.602 55.694 56.329 -0.055 0.000 1.821 69 c CB -1.092 41.411 42.510 -0.011 0.000 2.637 69 c HN 0.735 nan 8.230 nan 0.000 0.605 70 Y N 4.242 124.388 120.300 -0.257 0.000 2.805 70 Y HA 0.176 4.750 4.550 0.039 0.000 0.331 70 Y C 0.797 176.687 175.900 -0.016 0.000 1.241 70 Y CA 1.211 59.143 58.100 -0.280 0.000 1.546 70 Y CB 0.059 38.074 38.460 -0.741 0.000 1.248 70 Y HN 0.759 nan 8.280 nan 0.000 0.559 71 Q N 4.100 123.714 119.800 -0.310 0.000 2.633 71 Q HA 0.219 4.582 4.340 0.039 0.000 0.289 71 Q C -1.812 174.253 176.000 0.108 0.000 0.940 71 Q CA -1.236 54.627 55.803 0.101 0.000 0.785 71 Q CB 1.204 30.017 28.738 0.125 0.000 1.467 71 Q HN 0.607 nan 8.270 nan 0.000 0.401 72 Y N 0.996 121.444 120.300 0.247 0.000 2.497 72 Y HA 0.392 4.966 4.550 0.039 0.000 0.334 72 Y C -1.048 174.987 175.900 0.225 0.000 1.199 72 Y CA 0.301 58.571 58.100 0.283 0.000 1.425 72 Y CB 0.977 39.732 38.460 0.492 0.000 1.291 72 Y HN 0.440 nan 8.280 nan 0.000 0.562 73 V N 6.423 126.035 119.914 -0.503 0.000 2.448 73 V HA 0.124 4.268 4.120 0.039 0.000 0.295 73 V C -0.673 175.125 176.094 -0.494 0.000 1.025 73 V CA -1.070 61.044 62.300 -0.309 0.000 0.859 73 V CB 1.585 33.277 31.823 -0.219 0.000 0.988 73 V HN 0.816 nan 8.190 nan 0.000 0.431 74 D N 2.791 123.171 120.400 -0.035 0.000 2.425 74 D HA 0.260 4.923 4.640 0.039 0.000 0.247 74 D C 1.011 177.354 176.300 0.072 0.000 1.147 74 D CA 0.649 54.739 54.000 0.149 0.000 0.879 74 D CB 1.212 42.230 40.800 0.364 0.000 1.179 74 D HN 0.775 nan 8.370 nan 0.000 0.456 75 T N 0.828 115.431 114.554 0.082 0.000 3.043 75 T HA 0.003 4.376 4.350 0.039 0.000 0.272 75 T C 1.600 176.319 174.700 0.031 0.000 0.990 75 T CA -0.422 61.704 62.100 0.043 0.000 0.897 75 T CB -0.130 68.738 68.868 -0.001 0.000 1.111 75 T HN 0.300 nan 8.240 nan 0.000 0.529 76 L N 0.892 122.135 121.223 0.034 0.000 2.013 76 L HA 0.048 4.411 4.340 0.039 0.000 0.212 76 L C -0.042 176.566 176.870 -0.436 0.000 1.073 76 L CA 1.745 56.449 54.840 -0.227 0.000 0.753 76 L CB -0.499 41.359 42.059 -0.334 0.000 0.890 76 L HN 0.401 nan 8.230 nan 0.000 0.432 77 Y N -0.331 120.013 120.300 0.074 0.000 2.658 77 Y HA 0.431 5.004 4.550 0.039 0.000 0.362 77 Y C -2.198 173.748 175.900 0.077 0.000 1.017 77 Y CA -3.525 54.596 58.100 0.036 0.000 1.134 77 Y CB -0.335 38.134 38.460 0.016 0.000 1.144 77 Y HN 0.073 nan 8.280 nan 0.000 0.655 78 P HA 0.074 nan 4.420 nan 0.000 0.260 78 P C 1.047 178.408 177.300 0.102 0.000 1.172 78 P CA 1.797 64.957 63.100 0.099 0.000 0.760 78 P CB 0.620 32.350 31.700 0.050 0.000 0.773 79 G N 2.734 111.584 108.800 0.083 0.000 2.225 79 G HA2 -0.290 3.694 3.960 0.039 0.000 0.254 79 G HA3 -0.290 3.694 3.960 0.039 0.000 0.254 79 G C 0.026 174.979 174.900 0.089 0.000 0.988 79 G CA -0.451 44.684 45.100 0.057 0.000 0.625 79 G HN 0.538 nan 8.290 nan 0.000 0.527 80 F N 2.499 122.410 119.950 -0.064 0.000 2.472 80 F HA 0.580 5.131 4.527 0.039 0.000 0.364 80 F C 1.366 177.066 175.800 -0.167 0.000 1.090 80 F CA -0.618 57.291 58.000 -0.153 0.000 1.188 80 F CB 1.312 40.188 39.000 -0.207 0.000 1.105 80 F HN 0.178 nan 8.300 nan 0.000 0.536 81 E N 3.860 123.744 120.200 -0.528 0.000 2.209 81 E HA -0.089 4.285 4.350 0.039 0.000 0.196 81 E C 2.189 178.275 176.600 -0.857 0.000 0.993 81 E CA 1.666 57.716 56.400 -0.583 0.000 0.819 81 E CB -0.403 29.040 29.700 -0.429 0.000 0.745 81 E HN 0.888 nan 8.360 nan 0.000 0.477 82 G N -0.879 106.807 108.800 -1.857 0.000 2.448 82 G HA2 -0.255 3.728 3.960 0.039 0.000 0.219 82 G HA3 -0.255 3.728 3.960 0.039 0.000 0.219 82 G C 1.599 176.350 174.900 -0.248 0.000 1.127 82 G CA 1.497 45.759 45.100 -1.397 0.000 0.766 82 G HN 0.476 nan 8.290 nan 0.000 0.552 83 T N -1.935 112.477 114.554 -0.237 0.000 3.056 83 T HA 0.130 4.503 4.350 0.039 0.000 0.241 83 T C 1.862 176.664 174.700 0.171 0.000 1.006 83 T CA 0.528 62.842 62.100 0.357 0.000 1.115 83 T CB 0.028 69.190 68.868 0.491 0.000 0.939 83 T HN 0.121 nan 8.240 nan 0.000 0.462 84 E N 2.543 122.721 120.200 -0.036 0.000 2.209 84 E HA -0.123 4.250 4.350 0.039 0.000 0.196 84 E C 2.222 178.709 176.600 -0.188 0.000 0.993 84 E CA 1.325 57.679 56.400 -0.076 0.000 0.819 84 E CB -0.559 29.074 29.700 -0.111 0.000 0.745 84 E HN 0.780 nan 8.360 nan 0.000 0.477 85 M N -2.265 117.119 119.600 -0.359 0.000 2.446 85 M HA -0.069 4.434 4.480 0.039 0.000 0.263 85 M C 1.216 177.091 176.300 -0.709 0.000 1.066 85 M CA 1.427 56.368 55.300 -0.599 0.000 1.087 85 M CB -0.503 31.619 32.600 -0.796 0.000 1.406 85 M HN 0.007 nan 8.290 nan 0.000 0.459 86 W N 0.951 122.194 121.300 -0.095 0.000 3.177 86 W HA 0.298 4.981 4.660 0.038 0.000 0.309 86 W C 0.407 176.871 176.519 -0.092 0.000 1.224 86 W CA -0.948 56.336 57.345 -0.102 0.000 1.718 86 W CB -0.100 29.350 29.460 -0.016 0.000 1.078 86 W HN 0.099 nan 8.180 nan 0.000 0.618 87 N N 1.475 120.210 118.700 0.058 0.000 2.467 87 N HA 0.152 4.915 4.740 0.039 0.000 0.262 87 N C -2.390 173.074 175.510 -0.076 0.000 1.234 87 N CA -1.419 51.639 53.050 0.013 0.000 0.952 87 N CB -0.109 38.380 38.487 0.003 0.000 1.158 87 N HN -0.345 nan 8.380 nan 0.000 0.463 88 P HA 0.030 nan 4.420 nan 0.000 0.265 88 P C 0.190 177.409 177.300 -0.135 0.000 1.187 88 P CA 0.148 63.168 63.100 -0.133 0.000 0.766 88 P CB 0.318 31.936 31.700 -0.136 0.000 0.820 89 N N 2.038 120.643 118.700 -0.158 0.000 2.282 89 N HA 0.118 4.882 4.740 0.039 0.000 0.240 89 N C 0.013 175.455 175.510 -0.114 0.000 1.182 89 N CA -0.145 52.819 53.050 -0.144 0.000 0.874 89 N CB 0.424 38.802 38.487 -0.180 0.000 1.126 89 N HN 0.141 nan 8.380 nan 0.000 0.516 90 R N -0.127 120.308 120.500 -0.108 0.000 2.795 90 R HA 0.326 4.690 4.340 0.039 0.000 0.268 90 R C -0.468 175.785 176.300 -0.079 0.000 1.041 90 R CA -0.583 55.470 56.100 -0.077 0.000 0.927 90 R CB 0.590 30.852 30.300 -0.064 0.000 1.235 90 R HN 0.093 nan 8.270 nan 0.000 0.463 91 E N 1.482 121.644 120.200 -0.063 0.000 2.413 91 E HA 0.092 4.465 4.350 0.039 0.000 0.263 91 E C 0.004 176.567 176.600 -0.063 0.000 1.015 91 E CA 0.113 56.480 56.400 -0.056 0.000 0.916 91 E CB 0.526 30.201 29.700 -0.040 0.000 0.947 91 E HN 0.263 nan 8.360 nan 0.000 0.440 92 L N 1.703 122.886 121.223 -0.067 0.000 2.395 92 L HA 0.274 4.637 4.340 0.039 0.000 0.269 92 L C 0.670 177.572 176.870 0.053 0.000 1.133 92 L CA 0.017 54.801 54.840 -0.094 0.000 0.812 92 L CB 1.008 42.895 42.059 -0.287 0.000 1.125 92 L HN 0.461 nan 8.230 nan 0.000 0.452 93 S N 0.658 116.408 115.700 0.084 0.000 2.614 93 S HA 0.140 4.633 4.470 0.039 0.000 0.280 93 S C -0.079 174.512 174.600 -0.014 0.000 1.111 93 S CA -0.677 57.568 58.200 0.076 0.000 0.847 93 S CB 1.328 64.536 63.200 0.014 0.000 1.079 93 S HN 0.739 nan 8.310 nan 0.000 0.452 94 E N 0.720 120.848 120.200 -0.120 0.000 2.435 94 E HA 0.005 4.378 4.350 0.039 0.000 0.195 94 E C -0.399 176.132 176.600 -0.115 0.000 1.029 94 E CA 0.313 56.583 56.400 -0.215 0.000 0.865 94 E CB 0.137 29.660 29.700 -0.295 0.000 0.833 94 E HN 0.522 nan 8.360 nan 0.000 0.510 95 D N 0.437 120.806 120.400 -0.051 0.000 2.453 95 D HA 0.010 4.673 4.640 0.039 0.000 0.223 95 D C 0.005 176.378 176.300 0.121 0.000 1.183 95 D CA -0.386 53.618 54.000 0.007 0.000 0.933 95 D CB 0.091 40.911 40.800 0.033 0.000 1.038 95 D HN 0.133 nan 8.370 nan 0.000 0.513 96 c N 2.545 121.185 118.600 0.067 0.000 3.865 96 c HA 0.364 4.958 4.570 0.039 0.000 0.297 96 c C 0.585 174.718 174.090 0.072 0.000 1.758 96 c CA -0.677 55.759 56.329 0.180 0.000 1.778 96 c CB -1.271 41.280 42.510 0.068 0.000 3.158 96 c HN 0.451 nan 8.230 nan 0.000 0.598 97 L N 2.595 123.584 121.223 -0.390 0.000 2.395 97 L HA 0.390 4.754 4.340 0.039 0.000 0.268 97 L C -0.963 175.164 176.870 -1.237 0.000 1.223 97 L CA 0.633 54.995 54.840 -0.797 0.000 1.093 97 L CB -0.671 40.797 42.059 -0.984 0.000 1.349 97 L HN 0.404 nan 8.230 nan 0.000 0.427 98 Y N 1.908 122.127 120.300 -0.134 0.000 2.553 98 Y HA 0.610 5.184 4.550 0.039 0.000 0.347 98 Y C -0.131 175.954 175.900 0.309 0.000 1.019 98 Y CA -1.251 56.877 58.100 0.046 0.000 1.032 98 Y CB 1.982 40.434 38.460 -0.013 0.000 1.284 98 Y HN 0.201 nan 8.280 nan 0.000 0.466 99 L N -0.062 121.349 121.223 0.313 0.000 2.301 99 L HA 0.785 5.149 4.340 0.039 0.000 0.264 99 L C -1.165 175.717 176.870 0.019 0.000 1.016 99 L CA -1.125 53.783 54.840 0.113 0.000 0.821 99 L CB 1.622 43.571 42.059 -0.184 0.000 1.346 99 L HN 0.465 nan 8.230 nan 0.000 0.429 100 N N 0.181 118.898 118.700 0.028 0.000 2.269 100 N HA 0.725 5.489 4.740 0.039 0.000 0.304 100 N C -1.463 173.986 175.510 -0.102 0.000 1.072 100 N CA -0.443 52.541 53.050 -0.110 0.000 0.802 100 N CB 2.851 41.257 38.487 -0.135 0.000 1.348 100 N HN 0.496 nan 8.380 nan 0.000 0.484 101 V N 1.328 121.123 119.914 -0.198 0.000 2.638 101 V HA 0.487 4.630 4.120 0.039 0.000 0.306 101 V C -0.858 175.252 176.094 0.027 0.000 1.052 101 V CA -0.769 61.520 62.300 -0.018 0.000 0.885 101 V CB 2.353 34.052 31.823 -0.207 0.000 0.999 101 V HN 0.559 nan 8.190 nan 0.000 0.424 102 W N 2.732 124.141 121.300 0.183 0.000 2.702 102 W HA 0.707 5.390 4.660 0.040 0.000 0.331 102 W C 0.035 176.672 176.519 0.197 0.000 1.049 102 W CA -0.435 57.015 57.345 0.174 0.000 1.230 102 W CB 2.535 32.071 29.460 0.127 0.000 1.408 102 W HN 0.679 nan 8.180 nan 0.000 0.492 103 T N -0.014 114.807 114.554 0.445 0.000 2.864 103 T HA 0.536 4.910 4.350 0.039 0.000 0.299 103 T C -2.806 172.071 174.700 0.296 0.000 1.166 103 T CA -2.099 60.210 62.100 0.348 0.000 1.007 103 T CB 2.369 71.465 68.868 0.379 0.000 1.219 103 T HN 0.041 nan 8.240 nan 0.000 0.506 104 P HA 0.201 nan 4.420 nan 0.000 0.272 104 P C -1.507 175.937 177.300 0.240 0.000 1.230 104 P CA -0.252 62.968 63.100 0.201 0.000 0.788 104 P CB 0.335 32.120 31.700 0.141 0.000 0.949 105 Y N 2.928 123.283 120.300 0.091 0.000 2.328 105 Y HA 0.382 4.956 4.550 0.039 0.000 0.333 105 Y C -2.015 173.921 175.900 0.059 0.000 0.958 105 Y CA -2.388 55.758 58.100 0.078 0.000 1.167 105 Y CB 1.168 39.661 38.460 0.054 0.000 1.151 105 Y HN 0.294 nan 8.280 nan 0.000 0.470 106 P HA 0.126 nan 4.420 nan 0.000 0.272 106 P C -0.995 176.250 177.300 -0.092 0.000 1.240 106 P CA -0.499 62.358 63.100 -0.406 0.000 0.791 106 P CB 0.955 32.473 31.700 -0.303 0.000 0.978 107 R N 1.081 121.562 120.500 -0.033 0.000 2.623 107 R HA 0.206 4.569 4.340 0.039 0.000 0.271 107 R C -2.135 174.195 176.300 0.049 0.000 1.043 107 R CA -1.164 54.981 56.100 0.076 0.000 1.083 107 R CB -1.362 29.008 30.300 0.118 0.000 0.974 107 R HN 0.290 nan 8.270 nan 0.000 0.436 108 P HA -0.195 nan 4.420 nan 0.000 0.264 108 P C -0.068 177.253 177.300 0.035 0.000 1.156 108 P CA 1.028 64.163 63.100 0.059 0.000 0.756 108 P CB 0.559 32.306 31.700 0.078 0.000 0.764 109 A N 3.057 125.890 122.820 0.022 0.000 1.855 109 A HA -0.030 4.314 4.320 0.039 0.000 0.215 109 A C 0.955 178.546 177.584 0.012 0.000 1.191 109 A CA 1.780 53.824 52.037 0.011 0.000 0.613 109 A CB -0.745 18.259 19.000 0.007 0.000 0.829 109 A HN 0.630 nan 8.150 nan 0.000 0.442 110 S N -1.085 114.625 115.700 0.017 0.000 2.664 110 S HA 0.611 5.104 4.470 0.039 0.000 0.304 110 S C -3.078 171.536 174.600 0.023 0.000 1.099 110 S CA -1.883 56.326 58.200 0.014 0.000 1.003 110 S CB 0.906 64.111 63.200 0.008 0.000 1.092 110 S HN 0.025 nan 8.310 nan 0.000 0.525 111 P HA 0.141 nan 4.420 nan 0.000 0.260 111 P C -0.660 176.659 177.300 0.031 0.000 1.185 111 P CA 0.480 63.596 63.100 0.028 0.000 0.763 111 P CB -0.022 31.686 31.700 0.013 0.000 0.776 112 T N 6.324 120.909 114.554 0.051 0.000 2.867 112 T HA 0.398 4.771 4.350 0.039 0.000 0.282 112 T C -2.319 172.413 174.700 0.053 0.000 1.000 112 T CA -1.803 60.328 62.100 0.052 0.000 1.042 112 T CB 0.810 69.722 68.868 0.073 0.000 0.973 112 T HN 0.251 nan 8.240 nan 0.000 0.465 113 P HA 0.156 nan 4.420 nan 0.000 0.268 113 P C -0.780 176.561 177.300 0.069 0.000 1.205 113 P CA -0.242 62.880 63.100 0.037 0.000 0.771 113 P CB 0.521 32.223 31.700 0.004 0.000 0.858 114 V N 4.719 124.690 119.914 0.096 0.000 2.472 114 V HA 0.300 4.443 4.120 0.039 0.000 0.290 114 V C 0.646 176.824 176.094 0.139 0.000 1.037 114 V CA -0.623 61.755 62.300 0.130 0.000 0.908 114 V CB 1.208 33.121 31.823 0.149 0.000 0.985 114 V HN 0.403 nan 8.190 nan 0.000 0.454 115 L N 5.719 127.039 121.223 0.162 0.000 2.313 115 L HA 0.599 4.963 4.340 0.039 0.000 0.283 115 L C -0.680 176.425 176.870 0.390 0.000 1.013 115 L CA -0.368 54.588 54.840 0.193 0.000 0.816 115 L CB 1.720 43.794 42.059 0.025 0.000 1.236 115 L HN 0.505 nan 8.230 nan 0.000 0.419 116 I N 3.108 123.950 120.570 0.453 0.000 2.382 116 I HA 0.209 4.402 4.170 0.039 0.000 0.286 116 I C -0.564 175.844 176.117 0.486 0.000 1.002 116 I CA -0.434 61.107 61.300 0.402 0.000 1.135 116 I CB 1.456 39.559 38.000 0.171 0.000 1.288 116 I HN 0.628 nan 8.210 nan 0.000 0.448 117 W N 8.518 129.921 121.300 0.172 0.000 2.315 117 W HA 0.549 5.232 4.660 0.038 0.000 0.316 117 W C -1.460 174.943 176.519 -0.192 0.000 1.211 117 W CA -0.544 56.650 57.345 -0.251 0.000 1.201 117 W CB 1.163 30.489 29.460 -0.223 0.000 1.184 117 W HN 0.355 nan 8.180 nan 0.000 0.544 118 I N 9.148 129.068 120.570 -1.084 0.000 2.420 118 I HA 0.060 4.253 4.170 0.039 0.000 0.282 118 I C -0.252 175.027 176.117 -1.396 0.000 1.019 118 I CA -1.074 59.659 61.300 -0.945 0.000 1.130 118 I CB 0.694 38.304 38.000 -0.650 0.000 1.262 118 I HN 0.310 nan 8.210 nan 0.000 0.454 119 Y N 4.621 124.374 120.300 -0.912 0.000 2.385 119 Y HA 0.667 5.241 4.550 0.039 0.000 0.346 119 Y C 0.786 176.470 175.900 -0.360 0.000 1.270 119 Y CA -0.712 56.965 58.100 -0.705 0.000 1.472 119 Y CB -0.076 38.195 38.460 -0.315 0.000 1.354 119 Y HN 0.488 nan 8.280 nan 0.000 0.611 120 G N -1.231 107.565 108.800 -0.007 0.000 2.671 120 G HA2 0.498 4.481 3.960 0.039 0.000 0.275 120 G HA3 0.498 4.481 3.960 0.039 0.000 0.275 120 G C 0.218 175.069 174.900 -0.081 0.000 1.368 120 G CA -0.951 44.075 45.100 -0.124 0.000 1.044 120 G HN 1.714 nan 8.290 nan 0.000 0.543 121 G N -2.802 105.791 108.800 -0.346 0.000 2.223 121 G HA2 0.408 4.391 3.960 0.039 0.000 0.200 121 G HA3 0.408 4.391 3.960 0.039 0.000 0.200 121 G C 1.049 175.417 174.900 -0.886 0.000 1.061 121 G CA 0.727 45.510 45.100 -0.528 0.000 0.790 121 G HN 2.336 nan 8.290 nan 0.000 0.498 122 G N -0.583 107.681 108.800 -0.893 0.000 2.180 122 G HA2 -0.139 3.845 3.960 0.039 0.000 0.263 122 G HA3 -0.139 3.845 3.960 0.039 0.000 0.263 122 G C 0.906 175.501 174.900 -0.509 0.000 0.989 122 G CA 0.859 45.176 45.100 -1.304 0.000 0.692 122 G HN 1.784 nan 8.290 nan 0.000 0.526 123 F N -3.347 116.461 119.950 -0.238 0.000 2.794 123 F HA -0.287 4.263 4.527 0.039 0.000 0.335 123 F C 1.367 177.261 175.800 0.156 0.000 0.653 123 F CA 2.098 60.087 58.000 -0.018 0.000 1.266 123 F CB -2.032 36.819 39.000 -0.247 0.000 1.666 123 F HN 0.965 nan 8.300 nan 0.000 0.314 124 Y N -1.219 119.196 120.300 0.191 0.000 2.527 124 Y HA 0.671 5.244 4.550 0.039 0.000 0.247 124 Y C 0.525 176.560 175.900 0.224 0.000 1.138 124 Y CA 0.198 58.443 58.100 0.241 0.000 1.228 124 Y CB -0.022 38.565 38.460 0.210 0.000 1.252 124 Y HN 0.091 nan 8.280 nan 0.000 0.531 125 S N -0.911 114.585 115.700 -0.341 0.000 2.727 125 S HA 0.876 5.369 4.470 0.039 0.000 0.278 125 S C -0.115 174.346 174.600 -0.231 0.000 1.186 125 S CA -0.510 57.550 58.200 -0.233 0.000 0.836 125 S CB 1.468 64.484 63.200 -0.307 0.000 1.186 125 S HN 1.413 nan 8.310 nan 0.000 0.499 126 G N -0.609 108.023 108.800 -0.280 0.000 2.479 126 G HA2 0.552 4.536 3.960 0.039 0.000 0.686 126 G HA3 0.552 4.536 3.960 0.039 0.000 0.686 126 G C -0.612 173.671 174.900 -1.029 0.000 1.295 126 G CA -0.277 44.487 45.100 -0.561 0.000 0.922 126 G HN 2.361 nan 8.290 nan 0.000 0.582 127 A N -1.526 120.454 122.820 -1.401 0.000 2.590 127 A HA 0.962 5.306 4.320 0.039 0.000 0.294 127 A C 0.498 177.847 177.584 -0.392 0.000 1.046 127 A CA 0.791 52.284 52.037 -0.908 0.000 0.684 127 A CB 0.610 19.375 19.000 -0.391 0.000 1.279 127 A HN 2.605 nan 8.150 nan 0.000 0.415 128 A N 0.371 123.229 122.820 0.064 0.000 2.238 128 A HA 0.307 4.650 4.320 0.039 0.000 0.208 128 A C 1.639 179.271 177.584 0.080 0.000 1.177 128 A CA 1.742 53.983 52.037 0.340 0.000 0.804 128 A CB -0.616 18.653 19.000 0.448 0.000 0.823 128 A HN 1.866 nan 8.150 nan 0.000 0.482 129 S N -0.606 114.899 115.700 -0.325 0.000 2.535 129 S HA 0.309 4.803 4.470 0.039 0.000 0.214 129 S C 0.536 174.721 174.600 -0.691 0.000 0.980 129 S CA -0.454 57.098 58.200 -1.080 0.000 0.907 129 S CB -0.556 61.916 63.200 -1.215 0.000 0.790 129 S HN 0.382 nan 8.310 nan 0.000 0.510 130 L N 2.386 123.372 121.223 -0.395 0.000 2.483 130 L HA 0.117 4.481 4.340 0.039 0.000 0.275 130 L C 1.216 177.773 176.870 -0.521 0.000 1.220 130 L CA -0.401 54.144 54.840 -0.492 0.000 0.833 130 L CB 0.198 41.859 42.059 -0.664 0.000 1.102 130 L HN 0.096 nan 8.230 nan 0.000 0.490 131 D N 1.113 121.236 120.400 -0.461 0.000 2.149 131 D HA -0.141 4.523 4.640 0.039 0.000 0.198 131 D C 2.000 178.021 176.300 -0.464 0.000 0.990 131 D CA 1.415 55.202 54.000 -0.355 0.000 0.839 131 D CB -0.048 40.582 40.800 -0.284 0.000 0.948 131 D HN 0.546 nan 8.370 nan 0.000 0.460 132 V N -1.227 118.254 119.914 -0.721 0.000 3.078 132 V HA -0.166 3.978 4.120 0.039 0.000 0.265 132 V C 1.114 176.583 176.094 -1.042 0.000 1.122 132 V CA 1.072 62.906 62.300 -0.777 0.000 1.141 132 V CB -1.180 30.144 31.823 -0.832 0.000 0.735 132 V HN 0.065 nan 8.190 nan 0.000 0.498 133 Y N -0.020 119.723 120.300 -0.929 0.000 2.607 133 Y HA 0.450 5.023 4.550 0.039 0.000 0.266 133 Y C 0.865 176.170 175.900 -0.991 0.000 1.178 133 Y CA -1.957 55.186 58.100 -1.595 0.000 1.226 133 Y CB -0.673 37.239 38.460 -0.914 0.000 1.144 133 Y HN 0.224 nan 8.280 nan 0.000 0.528 134 D N 0.990 121.104 120.400 -0.477 0.000 2.412 134 D HA 0.016 4.679 4.640 0.039 0.000 0.257 134 D C 1.343 177.346 176.300 -0.496 0.000 1.217 134 D CA 0.565 54.361 54.000 -0.340 0.000 0.897 134 D CB 1.285 42.009 40.800 -0.127 0.000 1.132 134 D HN 0.483 nan 8.370 nan 0.000 0.493 135 G N 4.203 112.127 108.800 -1.460 0.000 3.088 135 G HA2 -0.142 3.841 3.960 0.039 0.000 0.212 135 G HA3 -0.142 3.841 3.960 0.039 0.000 0.212 135 G C 1.513 175.836 174.900 -0.962 0.000 1.173 135 G CA -0.019 44.394 45.100 -1.145 0.000 0.779 135 G HN 0.586 nan 8.290 nan 0.000 0.540 136 R N -0.337 119.571 120.500 -0.987 0.000 2.092 136 R HA -0.036 4.328 4.340 0.039 0.000 0.231 136 R C 1.659 177.707 176.300 -0.420 0.000 1.119 136 R CA 1.057 56.811 56.100 -0.577 0.000 0.970 136 R CB -0.793 29.189 30.300 -0.530 0.000 0.864 136 R HN 0.284 nan 8.270 nan 0.000 0.440 137 F N 1.897 121.760 119.950 -0.145 0.000 2.075 137 F HA -0.066 4.485 4.527 0.040 0.000 0.297 137 F C 2.500 178.243 175.800 -0.095 0.000 1.113 137 F CA 1.118 59.057 58.000 -0.101 0.000 1.218 137 F CB -0.755 38.178 39.000 -0.110 0.000 0.984 137 F HN -0.120 nan 8.300 nan 0.000 0.472 138 L N -0.376 120.878 121.223 0.052 0.000 2.083 138 L HA -0.206 4.158 4.340 0.039 0.000 0.209 138 L C 2.683 179.560 176.870 0.010 0.000 1.083 138 L CA 1.135 55.966 54.840 -0.016 0.000 0.752 138 L CB -0.951 41.048 42.059 -0.100 0.000 0.899 138 L HN 0.185 nan 8.230 nan 0.000 0.433 139 A N -1.013 121.815 122.820 0.013 0.000 1.873 139 A HA -0.229 4.115 4.320 0.039 0.000 0.215 139 A C 2.292 179.920 177.584 0.074 0.000 1.186 139 A CA 1.478 53.560 52.037 0.075 0.000 0.616 139 A CB -0.464 18.619 19.000 0.138 0.000 0.823 139 A HN 0.374 nan 8.150 nan 0.000 0.442 140 Q N -0.104 119.724 119.800 0.047 0.000 2.020 140 Q HA -0.074 4.289 4.340 0.039 0.000 0.198 140 Q C 2.219 178.254 176.000 0.057 0.000 0.974 140 Q CA 1.981 57.818 55.803 0.056 0.000 0.829 140 Q CB -0.324 28.433 28.738 0.032 0.000 0.894 140 Q HN 0.403 nan 8.270 nan 0.000 0.433 141 V N 1.386 121.334 119.914 0.057 0.000 2.453 141 V HA -0.135 4.008 4.120 0.039 0.000 0.247 141 V C 1.729 177.841 176.094 0.030 0.000 1.048 141 V CA 1.644 63.971 62.300 0.045 0.000 1.049 141 V CB -0.199 31.650 31.823 0.044 0.000 0.672 141 V HN 0.252 nan 8.190 nan 0.000 0.457 142 E N -0.487 119.729 120.200 0.026 0.000 2.498 142 E HA 0.215 4.588 4.350 0.039 0.000 0.203 142 E C 1.704 178.323 176.600 0.033 0.000 1.013 142 E CA 0.727 57.139 56.400 0.020 0.000 0.927 142 E CB 0.637 30.339 29.700 0.005 0.000 1.012 142 E HN 0.583 nan 8.360 nan 0.000 0.482 143 G N 1.742 110.572 108.800 0.049 0.000 2.153 143 G HA2 -0.315 3.668 3.960 0.039 0.000 0.252 143 G HA3 -0.315 3.668 3.960 0.039 0.000 0.252 143 G C 0.531 175.476 174.900 0.074 0.000 0.994 143 G CA 0.396 45.535 45.100 0.065 0.000 0.698 143 G HN 0.481 nan 8.290 nan 0.000 0.521 144 A N -0.813 122.049 122.820 0.069 0.000 2.351 144 A HA 0.695 5.039 4.320 0.039 0.000 0.257 144 A C 0.480 178.143 177.584 0.133 0.000 1.087 144 A CA 0.135 52.219 52.037 0.079 0.000 0.798 144 A CB 1.215 20.243 19.000 0.046 0.000 1.033 144 A HN 1.106 nan 8.150 nan 0.000 0.488 145 V N 3.002 123.005 119.914 0.148 0.000 2.333 145 V HA 0.324 4.467 4.120 0.039 0.000 0.274 145 V C -0.168 176.059 176.094 0.222 0.000 1.028 145 V CA -0.078 62.341 62.300 0.198 0.000 0.851 145 V CB 0.751 32.680 31.823 0.177 0.000 1.000 145 V HN 0.718 nan 8.190 nan 0.000 0.456 146 L N 6.531 127.938 121.223 0.306 0.000 2.307 146 L HA 0.732 5.096 4.340 0.039 0.000 0.284 146 L C -0.738 176.419 176.870 0.479 0.000 1.023 146 L CA -0.218 54.850 54.840 0.380 0.000 0.810 146 L CB 1.775 44.048 42.059 0.356 0.000 1.231 146 L HN 0.416 nan 8.230 nan 0.000 0.423 147 V N 3.050 123.221 119.914 0.429 0.000 2.680 147 V HA 0.709 4.852 4.120 0.039 0.000 0.309 147 V C -0.528 175.816 176.094 0.418 0.000 1.052 147 V CA -0.459 62.055 62.300 0.356 0.000 0.908 147 V CB 2.052 34.005 31.823 0.215 0.000 1.001 147 V HN 0.848 nan 8.190 nan 0.000 0.431 148 S N 5.004 120.941 115.700 0.394 0.000 2.548 148 S HA 0.868 5.361 4.470 0.039 0.000 0.276 148 S C -0.880 173.878 174.600 0.262 0.000 1.129 148 S CA -0.826 57.617 58.200 0.405 0.000 0.931 148 S CB 2.203 65.771 63.200 0.614 0.000 1.068 148 S HN 0.869 nan 8.310 nan 0.000 0.480 149 M N 1.297 121.010 119.600 0.189 0.000 2.662 149 M HA 0.666 5.170 4.480 0.039 0.000 0.310 149 M C -1.686 174.825 176.300 0.352 0.000 1.204 149 M CA -0.602 54.809 55.300 0.184 0.000 0.891 149 M CB 1.084 33.618 32.600 -0.110 0.000 1.732 149 M HN 0.543 nan 8.290 nan 0.000 0.467 150 N N 2.163 121.137 118.700 0.458 0.000 2.498 150 N HA 0.629 5.392 4.740 0.039 0.000 0.287 150 N C -1.506 174.269 175.510 0.442 0.000 1.097 150 N CA 0.071 53.391 53.050 0.450 0.000 0.973 150 N CB 0.764 39.449 38.487 0.330 0.000 1.153 150 N HN 0.716 nan 8.380 nan 0.000 0.472 151 Y N -1.669 118.803 120.300 0.286 0.000 2.553 151 Y HA 0.566 5.139 4.550 0.039 0.000 0.347 151 Y C -0.068 175.964 175.900 0.220 0.000 1.019 151 Y CA -1.325 56.899 58.100 0.207 0.000 1.032 151 Y CB 0.896 39.413 38.460 0.095 0.000 1.284 151 Y HN 0.195 nan 8.280 nan 0.000 0.466 152 R N 1.945 122.572 120.500 0.211 0.000 2.570 152 R HA 0.448 4.811 4.340 0.039 0.000 0.277 152 R C -0.214 176.237 176.300 0.251 0.000 1.039 152 R CA -0.054 56.134 56.100 0.147 0.000 1.065 152 R CB 0.676 31.035 30.300 0.097 0.000 0.964 152 R HN 0.716 nan 8.270 nan 0.000 0.428 153 V N -0.069 120.029 119.914 0.307 0.000 3.204 153 V HA 0.868 5.011 4.120 0.039 0.000 0.316 153 V C 0.844 177.264 176.094 0.543 0.000 1.160 153 V CA -0.179 62.422 62.300 0.501 0.000 1.044 153 V CB 1.109 33.132 31.823 0.333 0.000 1.136 153 V HN 0.964 nan 8.190 nan 0.000 0.455 154 G N 1.570 110.722 108.800 0.586 0.000 2.574 154 G HA2 -0.312 3.671 3.960 0.039 0.000 0.282 154 G HA3 -0.312 3.671 3.960 0.039 0.000 0.282 154 G C 1.043 176.094 174.900 0.251 0.000 1.257 154 G CA 1.689 47.052 45.100 0.438 0.000 0.956 154 G HN 2.322 nan 8.290 nan 0.000 0.560 155 T N -1.759 112.663 114.554 -0.219 0.000 2.720 155 T HA -0.082 4.291 4.350 0.039 0.000 0.268 155 T C 2.156 176.713 174.700 -0.238 0.000 1.037 155 T CA 2.581 64.314 62.100 -0.613 0.000 1.144 155 T CB -0.444 67.887 68.868 -0.894 0.000 0.864 155 T HN 0.597 nan 8.240 nan 0.000 0.444 156 F N 2.269 122.272 119.950 0.088 0.000 2.202 156 F HA 0.180 4.730 4.527 0.039 0.000 0.301 156 F C 2.726 178.525 175.800 -0.002 0.000 1.082 156 F CA 0.902 58.911 58.000 0.015 0.000 1.313 156 F CB -0.935 38.051 39.000 -0.023 0.000 1.024 156 F HN 0.396 nan 8.300 nan 0.000 0.495 157 G N -2.254 106.624 108.800 0.130 0.000 2.833 157 G HA2 0.068 4.051 3.960 0.039 0.000 0.210 157 G HA3 0.068 4.051 3.960 0.039 0.000 0.210 157 G C 0.826 175.263 174.900 -0.772 0.000 1.139 157 G CA 0.143 45.068 45.100 -0.292 0.000 0.771 157 G HN 0.360 nan 8.290 nan 0.000 0.535 158 F N -0.575 119.469 119.950 0.157 0.000 2.915 158 F HA 0.422 4.973 4.527 0.040 0.000 0.347 158 F C 0.424 176.307 175.800 0.140 0.000 1.104 158 F CA -0.928 57.144 58.000 0.120 0.000 1.126 158 F CB 0.377 39.446 39.000 0.114 0.000 1.145 158 F HN -0.086 nan 8.300 nan 0.000 0.541 159 L N 2.205 123.496 121.223 0.114 0.000 2.513 159 L HA 0.548 4.912 4.340 0.039 0.000 0.272 159 L C -0.030 176.814 176.870 -0.044 0.000 1.187 159 L CA 0.109 54.919 54.840 -0.050 0.000 0.895 159 L CB 0.403 42.151 42.059 -0.517 0.000 1.147 159 L HN 0.131 nan 8.230 nan 0.000 0.483 160 A N 6.051 128.885 122.820 0.024 0.000 2.475 160 A HA 0.695 5.038 4.320 0.039 0.000 0.301 160 A C -1.139 176.422 177.584 -0.039 0.000 1.059 160 A CA -0.607 51.418 52.037 -0.020 0.000 0.710 160 A CB 1.414 20.435 19.000 0.034 0.000 1.288 160 A HN 0.710 nan 8.150 nan 0.000 0.408 161 L N 2.587 123.774 121.223 -0.059 0.000 2.445 161 L HA 0.306 4.669 4.340 0.039 0.000 0.252 161 L C -2.497 174.359 176.870 -0.024 0.000 1.105 161 L CA -1.799 53.012 54.840 -0.049 0.000 0.943 161 L CB 1.510 43.524 42.059 -0.074 0.000 1.277 161 L HN 0.409 nan 8.230 nan 0.000 0.465 162 P HA -0.029 nan 4.420 nan 0.000 0.259 162 P C 0.996 178.296 177.300 -0.000 0.000 1.163 162 P CA 1.133 64.233 63.100 0.000 0.000 0.760 162 P CB 0.713 32.413 31.700 0.001 0.000 0.762 163 G N 1.907 110.711 108.800 0.006 0.000 2.268 163 G HA2 -0.262 3.721 3.960 0.039 0.000 0.240 163 G HA3 -0.262 3.721 3.960 0.039 0.000 0.240 163 G C 0.523 175.427 174.900 0.006 0.000 1.010 163 G CA 0.273 45.377 45.100 0.007 0.000 0.618 163 G HN 0.807 nan 8.290 nan 0.000 0.516 164 S N -0.243 115.457 115.700 0.001 0.000 2.606 164 S HA 0.564 5.057 4.470 0.039 0.000 0.257 164 S C 1.239 175.845 174.600 0.011 0.000 1.327 164 S CA 0.583 58.784 58.200 0.000 0.000 0.984 164 S CB 1.684 64.876 63.200 -0.013 0.000 0.941 164 S HN 0.454 nan 8.310 nan 0.000 0.576 165 R N 0.172 120.680 120.500 0.015 0.000 2.206 165 R HA 0.058 4.422 4.340 0.039 0.000 0.198 165 R C 0.941 177.262 176.300 0.034 0.000 0.986 165 R CA 0.709 56.824 56.100 0.024 0.000 1.029 165 R CB -0.023 30.290 30.300 0.022 0.000 0.966 165 R HN 0.894 nan 8.270 nan 0.000 0.487 166 E N -0.772 119.449 120.200 0.034 0.000 2.481 166 E HA 0.131 4.505 4.350 0.039 0.000 0.198 166 E C -0.279 176.369 176.600 0.081 0.000 1.027 166 E CA 0.117 56.554 56.400 0.061 0.000 0.900 166 E CB 1.268 31.008 29.700 0.067 0.000 0.993 166 E HN 0.170 nan 8.360 nan 0.000 0.482 167 A N 2.475 125.314 122.820 0.031 0.000 3.464 167 A HA 0.289 4.633 4.320 0.039 0.000 0.243 167 A C -2.157 175.425 177.584 -0.003 0.000 1.100 167 A CA -0.726 51.311 52.037 -0.000 0.000 0.957 167 A CB 0.651 19.555 19.000 -0.160 0.000 1.340 167 A HN -0.072 nan 8.150 nan 0.000 0.645 168 P HA 0.122 nan 4.420 nan 0.000 0.230 168 P C 0.927 178.245 177.300 0.030 0.000 1.158 168 P CA 1.855 64.973 63.100 0.029 0.000 0.769 168 P CB 0.083 31.809 31.700 0.043 0.000 0.807 169 G N 0.941 109.757 108.800 0.027 0.000 2.730 169 G HA2 -0.194 3.790 3.960 0.039 0.000 0.686 169 G HA3 -0.194 3.790 3.960 0.039 0.000 0.686 169 G C -0.077 174.827 174.900 0.006 0.000 1.343 169 G CA -0.305 44.815 45.100 0.032 0.000 0.826 169 G HN 0.160 nan 8.290 nan 0.000 0.582 170 N N -2.332 116.366 118.700 -0.003 0.000 2.713 170 N HA -0.285 4.478 4.740 0.039 0.000 0.251 170 N C 1.890 177.275 175.510 -0.208 0.000 1.117 170 N CA 2.367 55.357 53.050 -0.100 0.000 0.770 170 N CB -1.701 36.674 38.487 -0.186 0.000 1.137 170 N HN 1.919 nan 8.380 nan 0.000 0.566 171 V N -2.683 117.108 119.914 -0.205 0.000 2.490 171 V HA -0.036 4.107 4.120 0.039 0.000 0.250 171 V C 2.340 178.322 176.094 -0.186 0.000 1.061 171 V CA 2.294 64.517 62.300 -0.129 0.000 1.064 171 V CB -0.950 30.839 31.823 -0.056 0.000 0.670 171 V HN 0.280 nan 8.190 nan 0.000 0.461 172 G N 0.384 108.882 108.800 -0.503 0.000 2.432 172 G HA2 -0.141 3.843 3.960 0.039 0.000 0.219 172 G HA3 -0.141 3.843 3.960 0.039 0.000 0.219 172 G C 1.554 176.430 174.900 -0.041 0.000 1.135 172 G CA 1.163 46.079 45.100 -0.307 0.000 0.767 172 G HN 0.545 nan 8.290 nan 0.000 0.550 173 L N -0.239 120.909 121.223 -0.125 0.000 2.179 173 L HA 0.142 4.506 4.340 0.039 0.000 0.208 173 L C 2.733 179.639 176.870 0.060 0.000 1.096 173 L CA 0.212 54.954 54.840 -0.162 0.000 0.779 173 L CB -0.219 41.395 42.059 -0.742 0.000 0.922 173 L HN 0.175 nan 8.230 nan 0.000 0.443 174 L N -0.567 120.699 121.223 0.071 0.000 2.201 174 L HA -0.176 4.188 4.340 0.039 0.000 0.212 174 L C 2.077 179.070 176.870 0.205 0.000 1.105 174 L CA 0.713 55.684 54.840 0.218 0.000 0.775 174 L CB -0.529 41.637 42.059 0.179 0.000 0.913 174 L HN 0.260 nan 8.230 nan 0.000 0.440 175 D N 0.007 120.519 120.400 0.187 0.000 2.097 175 D HA -0.193 4.470 4.640 0.039 0.000 0.195 175 D C 2.269 178.710 176.300 0.235 0.000 0.989 175 D CA 1.171 55.360 54.000 0.315 0.000 0.827 175 D CB -0.168 40.845 40.800 0.355 0.000 0.966 175 D HN 0.379 nan 8.370 nan 0.000 0.456 176 Q N 0.190 120.061 119.800 0.118 0.000 2.050 176 Q HA -0.136 4.227 4.340 0.039 0.000 0.202 176 Q C 2.283 178.243 176.000 -0.065 0.000 0.980 176 Q CA 1.134 56.909 55.803 -0.046 0.000 0.840 176 Q CB -0.086 28.611 28.738 -0.068 0.000 0.898 176 Q HN 0.187 nan 8.270 nan 0.000 0.424 177 R N 0.550 121.128 120.500 0.131 0.000 2.091 177 R HA -0.189 4.175 4.340 0.039 0.000 0.238 177 R C 2.180 178.521 176.300 0.068 0.000 1.136 177 R CA 1.121 57.292 56.100 0.118 0.000 0.959 177 R CB -0.240 30.236 30.300 0.294 0.000 0.856 177 R HN 0.234 nan 8.270 nan 0.000 0.437 178 L N 0.712 122.002 121.223 0.113 0.000 2.046 178 L HA -0.035 4.328 4.340 0.039 0.000 0.208 178 L C 2.284 179.166 176.870 0.020 0.000 1.077 178 L CA 2.128 57.059 54.840 0.151 0.000 0.747 178 L CB -0.698 41.544 42.059 0.306 0.000 0.896 178 L HN 0.259 nan 8.230 nan 0.000 0.432 179 A N -0.939 121.675 122.820 -0.343 0.000 1.972 179 A HA -0.157 4.187 4.320 0.039 0.000 0.219 179 A C 2.088 179.584 177.584 -0.146 0.000 1.169 179 A CA 1.781 53.442 52.037 -0.627 0.000 0.635 179 A CB -0.738 17.619 19.000 -1.071 0.000 0.810 179 A HN 0.423 nan 8.150 nan 0.000 0.446 180 L N -0.559 120.599 121.223 -0.108 0.000 2.093 180 L HA -0.137 4.226 4.340 0.039 0.000 0.208 180 L C 2.589 179.501 176.870 0.070 0.000 1.085 180 L CA 1.867 56.690 54.840 -0.029 0.000 0.755 180 L CB -1.033 40.964 42.059 -0.103 0.000 0.904 180 L HN 0.454 nan 8.230 nan 0.000 0.435 181 Q N -2.266 117.588 119.800 0.090 0.000 2.119 181 Q HA -0.255 4.109 4.340 0.039 0.000 0.201 181 Q C 2.123 178.219 176.000 0.160 0.000 0.972 181 Q CA 1.808 57.678 55.803 0.113 0.000 0.847 181 Q CB -0.331 28.478 28.738 0.119 0.000 0.903 181 Q HN 0.590 nan 8.270 nan 0.000 0.433 182 W N -0.049 121.260 121.300 0.014 0.000 2.358 182 W HA -0.213 4.471 4.660 0.039 0.000 0.303 182 W C 1.760 178.307 176.519 0.047 0.000 1.208 182 W CA 1.165 58.541 57.345 0.051 0.000 1.274 182 W CB -0.103 29.391 29.460 0.058 0.000 1.138 182 W HN -0.137 nan 8.180 nan 0.000 0.515 183 V N 1.008 121.169 119.914 0.412 0.000 2.295 183 V HA -0.355 3.788 4.120 0.039 0.000 0.246 183 V C 2.587 178.713 176.094 0.054 0.000 1.049 183 V CA 2.087 64.539 62.300 0.252 0.000 1.024 183 V CB -0.987 30.976 31.823 0.233 0.000 0.648 183 V HN 0.209 nan 8.190 nan 0.000 0.447 184 Q N 0.037 119.871 119.800 0.056 0.000 2.030 184 Q HA -0.248 4.116 4.340 0.039 0.000 0.204 184 Q C 2.207 178.186 176.000 -0.036 0.000 0.986 184 Q CA 2.008 57.828 55.803 0.028 0.000 0.843 184 Q CB -0.394 28.366 28.738 0.037 0.000 0.904 184 Q HN 0.737 nan 8.270 nan 0.000 0.420 185 E N -0.301 119.845 120.200 -0.090 0.000 2.274 185 E HA -0.045 4.328 4.350 0.039 0.000 0.194 185 E C 1.232 177.678 176.600 -0.257 0.000 0.996 185 E CA 0.528 56.836 56.400 -0.152 0.000 0.840 185 E CB 0.184 29.795 29.700 -0.148 0.000 0.772 185 E HN 0.336 nan 8.360 nan 0.000 0.491 186 N N -0.272 118.183 118.700 -0.409 0.000 2.211 186 N HA 0.027 4.790 4.740 0.039 0.000 0.216 186 N C 1.396 176.813 175.510 -0.155 0.000 1.240 186 N CA 0.006 52.779 53.050 -0.461 0.000 0.895 186 N CB 0.469 38.290 38.487 -1.110 0.000 1.102 186 N HN 0.029 nan 8.380 nan 0.000 0.498 187 I N 2.635 123.159 120.570 -0.077 0.000 2.423 187 I HA -0.155 4.039 4.170 0.039 0.000 0.254 187 I C 2.211 178.449 176.117 0.202 0.000 1.151 187 I CA 0.665 62.052 61.300 0.145 0.000 1.421 187 I CB -0.323 37.741 38.000 0.107 0.000 1.079 187 I HN 0.074 nan 8.210 nan 0.000 0.431 188 A N 0.237 123.103 122.820 0.077 0.000 1.940 188 A HA -0.160 4.184 4.320 0.039 0.000 0.219 188 A C 2.486 180.085 177.584 0.025 0.000 1.176 188 A CA 1.695 53.761 52.037 0.048 0.000 0.631 188 A CB -1.152 17.847 19.000 -0.002 0.000 0.814 188 A HN 0.473 nan 8.150 nan 0.000 0.446 189 A N -1.554 121.242 122.820 -0.041 0.000 2.131 189 A HA 0.032 4.375 4.320 0.039 0.000 0.220 189 A C 1.520 178.914 177.584 -0.317 0.000 1.158 189 A CA 1.331 53.231 52.037 -0.228 0.000 0.665 189 A CB -0.671 18.086 19.000 -0.404 0.000 0.795 189 A HN 0.517 nan 8.150 nan 0.000 0.460 190 F N -1.552 118.356 119.950 -0.070 0.000 2.695 190 F HA 0.397 4.948 4.527 0.039 0.000 0.303 190 F C 1.742 177.560 175.800 0.030 0.000 1.091 190 F CA 0.382 58.359 58.000 -0.038 0.000 1.300 190 F CB 0.216 39.203 39.000 -0.020 0.000 1.071 190 F HN 0.306 nan 8.300 nan 0.000 0.578 191 G N 0.329 109.228 108.800 0.166 0.000 2.141 191 G HA2 -0.151 3.832 3.960 0.039 0.000 0.231 191 G HA3 -0.151 3.832 3.960 0.039 0.000 0.231 191 G C 0.539 175.515 174.900 0.126 0.000 0.984 191 G CA -0.283 44.889 45.100 0.120 0.000 0.660 191 G HN 0.722 nan 8.290 nan 0.000 0.525 192 G N -0.477 108.415 108.800 0.153 0.000 2.400 192 G HA2 0.494 4.478 3.960 0.039 0.000 0.301 192 G HA3 0.494 4.478 3.960 0.039 0.000 0.301 192 G C -0.721 174.234 174.900 0.092 0.000 1.154 192 G CA 0.136 45.313 45.100 0.128 0.000 0.852 192 G HN 0.200 nan 8.290 nan 0.000 0.511 193 D N 1.915 122.359 120.400 0.074 0.000 2.339 193 D HA 0.231 4.894 4.640 0.039 0.000 0.241 193 D C -1.121 175.220 176.300 0.069 0.000 1.183 193 D CA -2.318 51.711 54.000 0.048 0.000 0.859 193 D CB 1.889 42.701 40.800 0.020 0.000 1.067 193 D HN 0.080 nan 8.370 nan 0.000 0.484 194 P HA -0.048 nan 4.420 nan 0.000 0.237 194 P C 1.158 178.560 177.300 0.170 0.000 1.178 194 P CA 0.518 63.684 63.100 0.110 0.000 0.766 194 P CB 0.205 31.949 31.700 0.073 0.000 0.876 195 M N -1.197 118.435 119.600 0.054 0.000 2.495 195 M HA 0.083 4.587 4.480 0.039 0.000 0.237 195 M C 0.697 176.722 176.300 -0.457 0.000 1.131 195 M CA 0.558 55.795 55.300 -0.105 0.000 1.032 195 M CB 0.142 32.663 32.600 -0.133 0.000 1.513 195 M HN -0.144 nan 8.290 nan 0.000 0.488 196 S N 1.152 116.796 115.700 -0.093 0.000 2.279 196 S HA 0.434 4.928 4.470 0.039 0.000 0.176 196 S C -0.990 173.740 174.600 0.217 0.000 1.554 196 S CA -0.497 57.682 58.200 -0.035 0.000 1.242 196 S CB 0.446 63.605 63.200 -0.069 0.000 1.163 196 S HN 0.009 nan 8.310 nan 0.000 0.449 197 V N 4.002 124.232 119.914 0.527 0.000 2.409 197 V HA 0.540 4.684 4.120 0.039 0.000 0.291 197 V C 0.029 176.286 176.094 0.272 0.000 1.020 197 V CA -0.490 61.992 62.300 0.302 0.000 0.848 197 V CB 1.874 33.834 31.823 0.228 0.000 0.990 197 V HN 0.724 nan 8.190 nan 0.000 0.430 198 T N 6.599 121.275 114.554 0.202 0.000 2.770 198 T HA 0.595 4.968 4.350 0.039 0.000 0.283 198 T C -0.239 174.601 174.700 0.233 0.000 0.988 198 T CA -0.326 61.897 62.100 0.206 0.000 0.957 198 T CB 0.820 69.760 68.868 0.120 0.000 0.930 198 T HN 0.346 nan 8.240 nan 0.000 0.443 199 L N 4.903 126.248 121.223 0.203 0.000 2.326 199 L HA 0.691 5.054 4.340 0.039 0.000 0.278 199 L C -0.404 176.670 176.870 0.339 0.000 1.092 199 L CA -0.866 54.058 54.840 0.139 0.000 0.810 199 L CB 0.396 42.321 42.059 -0.223 0.000 1.153 199 L HN 0.632 nan 8.230 nan 0.000 0.439 200 F N 0.611 120.629 119.950 0.113 0.000 2.601 200 F HA 0.970 5.520 4.527 0.039 0.000 0.309 200 F C -0.298 175.507 175.800 0.008 0.000 1.089 200 F CA -1.259 56.860 58.000 0.199 0.000 0.940 200 F CB 1.690 40.949 39.000 0.432 0.000 1.273 200 F HN 0.483 nan 8.300 nan 0.000 0.450 201 G N 1.180 109.893 108.800 -0.145 0.000 2.576 201 G HA2 0.489 4.473 3.960 0.039 0.000 0.290 201 G HA3 0.489 4.473 3.960 0.039 0.000 0.290 201 G C -2.557 172.139 174.900 -0.339 0.000 1.442 201 G CA -0.793 43.798 45.100 -0.848 0.000 0.792 201 G HN 0.859 nan 8.290 nan 0.000 0.491 202 E N 0.232 120.178 120.200 -0.423 0.000 2.266 202 E HA 0.646 5.020 4.350 0.039 0.000 0.268 202 E C 0.601 177.130 176.600 -0.118 0.000 0.879 202 E CA 0.226 56.589 56.400 -0.063 0.000 0.762 202 E CB 2.158 31.961 29.700 0.172 0.000 1.199 202 E HN 0.802 nan 8.360 nan 0.000 0.422 203 S N 2.396 118.095 115.700 -0.001 0.000 4.114 203 S HA -0.388 4.106 4.470 0.039 0.000 0.618 203 S C 1.448 176.144 174.600 0.159 0.000 1.937 203 S CA 1.983 60.264 58.200 0.136 0.000 4.228 203 S CB -1.564 61.653 63.200 0.028 0.000 0.216 203 S HN 0.937 nan 8.310 nan 0.000 0.528 204 A N 0.940 123.717 122.820 -0.071 0.000 1.978 204 A HA 0.095 4.438 4.320 0.039 0.000 0.220 204 A C 2.454 179.760 177.584 -0.465 0.000 1.170 204 A CA 2.583 54.358 52.037 -0.437 0.000 0.636 204 A CB -1.562 16.713 19.000 -1.207 0.000 0.810 204 A HN 1.577 nan 8.150 nan 0.000 0.448 205 G N -0.629 107.943 108.800 -0.380 0.000 2.422 205 G HA2 0.001 3.985 3.960 0.039 0.000 0.218 205 G HA3 0.001 3.985 3.960 0.039 0.000 0.218 205 G C 1.699 176.411 174.900 -0.313 0.000 1.146 205 G CA 1.406 46.236 45.100 -0.450 0.000 0.769 205 G HN 0.787 nan 8.290 nan 0.000 0.547 206 A N 1.172 123.887 122.820 -0.174 0.000 1.872 206 A HA 0.360 4.703 4.320 0.039 0.000 0.214 206 A C 2.820 180.382 177.584 -0.038 0.000 1.187 206 A CA 2.069 54.069 52.037 -0.063 0.000 0.614 206 A CB -0.821 18.201 19.000 0.038 0.000 0.826 206 A HN 0.766 nan 8.150 nan 0.000 0.442 207 A N -0.491 122.329 122.820 0.000 0.000 1.972 207 A HA -0.071 4.273 4.320 0.039 0.000 0.219 207 A C 2.418 180.004 177.584 0.003 0.000 1.169 207 A CA 2.080 54.104 52.037 -0.023 0.000 0.635 207 A CB -0.779 18.198 19.000 -0.039 0.000 0.810 207 A HN 0.443 nan 8.150 nan 0.000 0.446 208 S N -0.471 115.228 115.700 -0.001 0.000 2.356 208 S HA -0.130 4.364 4.470 0.039 0.000 0.223 208 S C 1.916 176.487 174.600 -0.048 0.000 1.032 208 S CA 1.390 59.560 58.200 -0.051 0.000 1.005 208 S CB -0.513 62.600 63.200 -0.146 0.000 0.867 208 S HN 0.354 nan 8.310 nan 0.000 0.449 209 V N 1.810 121.699 119.914 -0.041 0.000 2.324 209 V HA -0.205 3.938 4.120 0.039 0.000 0.250 209 V C 2.617 178.710 176.094 -0.002 0.000 1.060 209 V CA 2.026 64.310 62.300 -0.025 0.000 1.042 209 V CB -1.535 30.248 31.823 -0.067 0.000 0.650 209 V HN 0.605 nan 8.190 nan 0.000 0.450 210 G N -1.040 107.747 108.800 -0.021 0.000 2.442 210 G HA2 -0.289 3.694 3.960 0.039 0.000 0.219 210 G HA3 -0.289 3.694 3.960 0.039 0.000 0.219 210 G C 1.615 176.521 174.900 0.008 0.000 1.141 210 G CA 1.113 46.202 45.100 -0.018 0.000 0.763 210 G HN 0.458 nan 8.290 nan 0.000 0.554 211 M N -0.244 119.337 119.600 -0.032 0.000 2.319 211 M HA 0.044 4.547 4.480 0.039 0.000 0.265 211 M C 2.228 178.572 176.300 0.073 0.000 1.068 211 M CA 0.764 56.068 55.300 0.006 0.000 1.118 211 M CB -0.131 32.421 32.600 -0.080 0.000 1.395 211 M HN 0.218 nan 8.290 nan 0.000 0.435 212 H N -0.395 118.776 119.070 0.168 0.000 2.428 212 H HA 0.026 4.605 4.556 0.039 0.000 0.296 212 H C 2.097 177.610 175.328 0.308 0.000 1.062 212 H CA 1.296 57.447 56.048 0.171 0.000 1.350 212 H CB -0.156 29.545 29.762 -0.101 0.000 1.403 212 H HN 0.401 nan 8.280 nan 0.000 0.533 213 I N 0.782 121.586 120.570 0.390 0.000 2.286 213 I HA -0.230 3.964 4.170 0.039 0.000 0.248 213 I C 1.770 178.063 176.117 0.293 0.000 1.115 213 I CA 1.057 62.610 61.300 0.421 0.000 1.392 213 I CB -0.026 38.118 38.000 0.240 0.000 1.065 213 I HN 0.104 nan 8.210 nan 0.000 0.418 214 L N -0.917 120.433 121.223 0.211 0.000 2.592 214 L HA 0.111 4.474 4.340 0.039 0.000 0.227 214 L C 0.819 177.741 176.870 0.088 0.000 1.127 214 L CA 0.037 54.983 54.840 0.175 0.000 0.884 214 L CB -0.106 42.038 42.059 0.141 0.000 1.065 214 L HN 0.015 nan 8.230 nan 0.000 0.457 215 S N 0.015 115.735 115.700 0.034 0.000 2.594 215 S HA 0.232 4.725 4.470 0.039 0.000 0.322 215 S C 0.689 175.221 174.600 -0.114 0.000 1.085 215 S CA -0.618 57.486 58.200 -0.159 0.000 1.116 215 S CB 1.186 64.025 63.200 -0.602 0.000 0.979 215 S HN 0.159 nan 8.310 nan 0.000 0.465 216 L N 7.380 128.550 121.223 -0.087 0.000 2.064 216 L HA 0.011 4.375 4.340 0.039 0.000 0.216 216 L C -1.130 175.703 176.870 -0.062 0.000 1.077 216 L CA 2.338 57.142 54.840 -0.060 0.000 0.766 216 L CB -1.169 40.855 42.059 -0.058 0.000 0.890 216 L HN 0.495 nan 8.230 nan 0.000 0.435 217 P HA -0.058 nan 4.420 nan 0.000 0.225 217 P C 1.601 178.893 177.300 -0.013 0.000 1.148 217 P CA 1.198 64.257 63.100 -0.068 0.000 0.779 217 P CB 0.054 31.694 31.700 -0.101 0.000 0.780 218 S N -0.967 114.746 115.700 0.022 0.000 2.458 218 S HA 0.016 4.509 4.470 0.039 0.000 0.223 218 S C 1.799 176.555 174.600 0.259 0.000 1.019 218 S CA 0.335 58.656 58.200 0.202 0.000 0.937 218 S CB -0.314 63.126 63.200 0.400 0.000 0.788 218 S HN 0.063 nan 8.310 nan 0.000 0.511 219 R N 2.106 122.665 120.500 0.099 0.000 2.170 219 R HA -0.043 4.320 4.340 0.039 0.000 0.242 219 R C 2.129 178.275 176.300 -0.258 0.000 1.145 219 R CA 1.450 57.458 56.100 -0.154 0.000 0.984 219 R CB -1.280 28.950 30.300 -0.118 0.000 0.869 219 R HN 0.571 nan 8.270 nan 0.000 0.455 220 S N -0.351 115.284 115.700 -0.108 0.000 2.631 220 S HA 0.141 4.634 4.470 0.039 0.000 0.217 220 S C 1.560 176.106 174.600 -0.089 0.000 0.958 220 S CA -0.064 58.073 58.200 -0.106 0.000 0.920 220 S CB -0.096 63.078 63.200 -0.043 0.000 0.776 220 S HN 0.211 nan 8.310 nan 0.000 0.517 221 L N 0.335 121.537 121.223 -0.035 0.000 2.693 221 L HA 0.495 4.858 4.340 0.039 0.000 0.235 221 L C -0.083 176.832 176.870 0.074 0.000 1.127 221 L CA -0.320 54.549 54.840 0.047 0.000 0.914 221 L CB 0.046 42.176 42.059 0.119 0.000 1.193 221 L HN 0.505 nan 8.230 nan 0.000 0.502 222 F N -4.050 115.696 119.950 -0.340 0.000 2.686 222 F HA 0.484 5.035 4.527 0.039 0.000 0.311 222 F C 0.436 175.851 175.800 -0.641 0.000 1.128 222 F CA -1.054 56.685 58.000 -0.435 0.000 0.946 222 F CB 0.766 39.673 39.000 -0.156 0.000 1.336 222 F HN -0.146 nan 8.300 nan 0.000 0.457 223 H N -0.514 118.572 119.070 0.027 0.000 2.927 223 H HA 0.445 5.025 4.556 0.039 0.000 0.255 223 H C -0.026 175.288 175.328 -0.023 0.000 0.974 223 H CA 0.054 56.042 56.048 -0.100 0.000 1.199 223 H CB 0.857 30.582 29.762 -0.061 0.000 1.447 223 H HN 0.425 nan 8.280 nan 0.000 0.467 224 R N 0.176 120.814 120.500 0.230 0.000 2.836 224 R HA 0.744 5.107 4.340 0.039 0.000 0.269 224 R C -1.254 175.298 176.300 0.420 0.000 1.010 224 R CA -0.741 55.490 56.100 0.218 0.000 0.930 224 R CB 2.843 33.092 30.300 -0.085 0.000 1.218 224 R HN 0.143 nan 8.270 nan 0.000 0.473 225 A N 0.872 123.963 122.820 0.452 0.000 2.549 225 A HA 0.660 5.004 4.320 0.039 0.000 0.297 225 A C -1.491 176.255 177.584 0.270 0.000 1.061 225 A CA -0.598 51.652 52.037 0.355 0.000 0.690 225 A CB 1.908 21.086 19.000 0.297 0.000 1.287 225 A HN 0.309 nan 8.150 nan 0.000 0.402 226 V N 1.953 121.981 119.914 0.191 0.000 2.531 226 V HA 0.536 4.680 4.120 0.039 0.000 0.301 226 V C -1.185 174.996 176.094 0.144 0.000 1.034 226 V CA -0.321 62.023 62.300 0.074 0.000 0.865 226 V CB 1.270 33.158 31.823 0.109 0.000 0.995 226 V HN 0.683 nan 8.190 nan 0.000 0.424 227 L N 5.099 126.375 121.223 0.088 0.000 2.342 227 L HA 0.528 4.892 4.340 0.039 0.000 0.276 227 L C -0.041 176.920 176.870 0.152 0.000 0.997 227 L CA -0.025 54.867 54.840 0.088 0.000 0.838 227 L CB 1.639 43.706 42.059 0.014 0.000 1.224 227 L HN 0.627 nan 8.230 nan 0.000 0.416 228 Q N 1.997 121.940 119.800 0.238 0.000 2.340 228 Q HA 0.439 4.802 4.340 0.039 0.000 0.259 228 Q C 0.159 176.275 176.000 0.194 0.000 0.964 228 Q CA -0.533 55.465 55.803 0.325 0.000 0.900 228 Q CB 1.272 30.296 28.738 0.477 0.000 1.228 228 Q HN 0.623 nan 8.270 nan 0.000 0.449 229 S N 1.070 116.872 115.700 0.169 0.000 3.631 229 S HA -0.167 4.327 4.470 0.039 0.000 0.366 229 S C 0.041 174.810 174.600 0.281 0.000 0.993 229 S CA 0.548 58.865 58.200 0.196 0.000 1.167 229 S CB -1.191 62.108 63.200 0.166 0.000 0.909 229 S HN 0.984 nan 8.310 nan 0.000 0.478 230 G N -0.349 108.581 108.800 0.216 0.000 2.655 230 G HA2 0.643 4.626 3.960 0.039 0.000 0.296 230 G HA3 0.643 4.626 3.960 0.039 0.000 0.296 230 G C -0.892 174.067 174.900 0.098 0.000 1.485 230 G CA 0.168 45.449 45.100 0.303 0.000 0.869 230 G HN 0.933 nan 8.290 nan 0.000 0.540 231 T N -1.151 113.393 114.554 -0.016 0.000 2.868 231 T HA 0.752 5.125 4.350 0.039 0.000 0.306 231 T C -2.342 172.197 174.700 -0.269 0.000 1.224 231 T CA -1.367 60.648 62.100 -0.141 0.000 1.012 231 T CB 3.072 71.847 68.868 -0.155 0.000 1.221 231 T HN 0.271 nan 8.240 nan 0.000 0.499 232 P HA -0.003 nan 4.420 nan 0.000 0.220 232 P C 0.258 177.394 177.300 -0.273 0.000 1.152 232 P CA 0.624 63.594 63.100 -0.216 0.000 0.812 232 P CB -0.034 31.595 31.700 -0.119 0.000 0.792 233 N N 0.562 119.116 118.700 -0.244 0.000 2.379 233 N HA 0.329 5.093 4.740 0.039 0.000 0.260 233 N C 0.688 175.988 175.510 -0.350 0.000 1.254 233 N CA 0.425 53.334 53.050 -0.236 0.000 0.958 233 N CB 0.472 38.864 38.487 -0.158 0.000 1.208 233 N HN 0.170 nan 8.380 nan 0.000 0.532 234 G N -0.846 107.770 108.800 -0.307 0.000 2.479 234 G HA2 -0.108 3.875 3.960 0.039 0.000 0.686 234 G HA3 -0.108 3.875 3.960 0.039 0.000 0.686 234 G C -2.117 172.555 174.900 -0.380 0.000 1.295 234 G CA -0.245 44.625 45.100 -0.383 0.000 0.922 234 G HN 0.532 nan 8.290 nan 0.000 0.582 235 P HA 0.054 nan 4.420 nan 0.000 0.229 235 P C 1.382 178.635 177.300 -0.079 0.000 1.160 235 P CA 2.153 65.123 63.100 -0.216 0.000 0.777 235 P CB -0.041 31.485 31.700 -0.289 0.000 0.814 236 W N -1.730 119.476 121.300 -0.157 0.000 2.873 236 W HA 0.552 5.236 4.660 0.039 0.000 0.282 236 W C 1.232 177.828 176.519 0.127 0.000 1.118 236 W CA 0.424 57.764 57.345 -0.008 0.000 1.480 236 W CB -0.767 28.740 29.460 0.079 0.000 0.954 236 W HN -0.164 nan 8.180 nan 0.000 0.591 237 A N 2.050 124.550 122.820 -0.532 0.000 2.066 237 A HA 0.076 4.419 4.320 0.039 0.000 0.218 237 A C 1.201 178.632 177.584 -0.256 0.000 1.157 237 A CA 1.980 53.770 52.037 -0.412 0.000 0.670 237 A CB -0.870 17.614 19.000 -0.860 0.000 0.804 237 A HN 0.265 nan 8.150 nan 0.000 0.453 238 T N -3.299 111.118 114.554 -0.227 0.000 2.883 238 T HA 0.622 4.995 4.350 0.039 0.000 0.296 238 T C -0.639 173.985 174.700 -0.127 0.000 1.117 238 T CA -0.126 61.855 62.100 -0.199 0.000 1.006 238 T CB 1.495 70.252 68.868 -0.184 0.000 1.191 238 T HN 0.934 nan 8.240 nan 0.000 0.508 239 V N -1.253 118.594 119.914 -0.111 0.000 3.130 239 V HA 0.919 5.062 4.120 0.039 0.000 0.310 239 V C 0.227 176.281 176.094 -0.067 0.000 1.158 239 V CA -0.835 61.416 62.300 -0.081 0.000 1.029 239 V CB 1.355 33.130 31.823 -0.080 0.000 1.057 239 V HN 1.382 nan 8.190 nan 0.000 0.436 240 S N 1.604 117.272 115.700 -0.053 0.000 2.624 240 S HA 0.644 5.137 4.470 0.039 0.000 0.263 240 S C 1.410 175.990 174.600 -0.032 0.000 1.287 240 S CA 0.087 58.263 58.200 -0.040 0.000 0.990 240 S CB 1.245 64.424 63.200 -0.035 0.000 0.950 240 S HN 1.971 nan 8.310 nan 0.000 0.561 241 A N 1.859 124.665 122.820 -0.022 0.000 1.883 241 A HA 0.079 4.423 4.320 0.039 0.000 0.217 241 A C 2.254 179.828 177.584 -0.017 0.000 1.186 241 A CA 1.943 53.971 52.037 -0.014 0.000 0.624 241 A CB -1.964 17.031 19.000 -0.009 0.000 0.822 241 A HN 1.202 nan 8.150 nan 0.000 0.444 242 G N -0.555 108.234 108.800 -0.019 0.000 2.446 242 G HA2 -0.290 3.693 3.960 0.039 0.000 0.217 242 G HA3 -0.290 3.693 3.960 0.039 0.000 0.217 242 G C 1.477 176.362 174.900 -0.025 0.000 1.168 242 G CA 1.483 46.571 45.100 -0.020 0.000 0.771 242 G HN 0.586 nan 8.290 nan 0.000 0.551 243 E N 0.855 121.035 120.200 -0.033 0.000 2.150 243 E HA 0.113 4.487 4.350 0.039 0.000 0.193 243 E C 2.606 179.173 176.600 -0.055 0.000 0.985 243 E CA 1.317 57.689 56.400 -0.046 0.000 0.814 243 E CB -0.469 29.198 29.700 -0.054 0.000 0.752 243 E HN 0.300 nan 8.360 nan 0.000 0.466 244 A N 0.816 123.612 122.820 -0.040 0.000 1.873 244 A HA -0.130 4.213 4.320 0.039 0.000 0.215 244 A C 2.284 179.872 177.584 0.007 0.000 1.186 244 A CA 1.585 53.610 52.037 -0.020 0.000 0.616 244 A CB -0.587 18.418 19.000 0.007 0.000 0.823 244 A HN 0.266 nan 8.150 nan 0.000 0.442 245 R N -0.439 120.059 120.500 -0.004 0.000 2.091 245 R HA -0.157 4.206 4.340 0.039 0.000 0.238 245 R C 2.452 178.749 176.300 -0.005 0.000 1.136 245 R CA 1.677 57.774 56.100 -0.006 0.000 0.959 245 R CB -0.326 29.966 30.300 -0.013 0.000 0.856 245 R HN 0.514 nan 8.270 nan 0.000 0.437 246 R N 0.597 121.088 120.500 -0.015 0.000 2.073 246 R HA -0.131 4.233 4.340 0.039 0.000 0.234 246 R C 2.180 178.473 176.300 -0.011 0.000 1.134 246 R CA 1.819 57.908 56.100 -0.017 0.000 0.952 246 R CB -0.145 30.139 30.300 -0.026 0.000 0.850 246 R HN 0.290 nan 8.270 nan 0.000 0.433 247 R N -0.135 120.347 120.500 -0.029 0.000 2.115 247 R HA -0.052 4.312 4.340 0.039 0.000 0.230 247 R C 2.340 178.715 176.300 0.125 0.000 1.111 247 R CA 1.194 57.272 56.100 -0.036 0.000 0.976 247 R CB -0.298 29.846 30.300 -0.259 0.000 0.870 247 R HN 0.258 nan 8.270 nan 0.000 0.445 248 A N 0.995 123.907 122.820 0.154 0.000 1.855 248 A HA -0.189 4.154 4.320 0.039 0.000 0.215 248 A C 2.354 179.953 177.584 0.025 0.000 1.191 248 A CA 2.075 54.193 52.037 0.134 0.000 0.613 248 A CB -1.049 17.970 19.000 0.032 0.000 0.829 248 A HN 0.463 nan 8.150 nan 0.000 0.442 249 T N -1.813 112.743 114.554 0.003 0.000 2.867 249 T HA -0.114 4.260 4.350 0.039 0.000 0.268 249 T C 1.738 176.435 174.700 -0.005 0.000 1.057 249 T CA 1.559 63.650 62.100 -0.015 0.000 1.136 249 T CB -0.396 68.461 68.868 -0.018 0.000 0.874 249 T HN 0.250 nan 8.240 nan 0.000 0.466 250 L N 0.317 121.547 121.223 0.013 0.000 2.141 250 L HA 0.299 4.662 4.340 0.039 0.000 0.209 250 L C 2.191 179.069 176.870 0.013 0.000 1.094 250 L CA 1.370 56.216 54.840 0.010 0.000 0.763 250 L CB -1.000 41.069 42.059 0.017 0.000 0.908 250 L HN 0.394 nan 8.230 nan 0.000 0.437 251 L N -0.421 120.833 121.223 0.052 0.000 2.072 251 L HA 0.041 4.404 4.340 0.039 0.000 0.205 251 L C 2.498 179.358 176.870 -0.017 0.000 1.079 251 L CA 1.744 56.613 54.840 0.048 0.000 0.752 251 L CB -0.789 41.335 42.059 0.109 0.000 0.906 251 L HN 0.233 nan 8.230 nan 0.000 0.436 252 A N 0.005 122.807 122.820 -0.029 0.000 1.859 252 A HA -0.310 4.034 4.320 0.039 0.000 0.217 252 A C 2.512 180.076 177.584 -0.033 0.000 1.198 252 A CA 2.167 54.181 52.037 -0.038 0.000 0.629 252 A CB -0.841 18.131 19.000 -0.047 0.000 0.830 252 A HN 0.508 nan 8.150 nan 0.000 0.446 253 R N -0.484 119.995 120.500 -0.035 0.000 2.096 253 R HA -0.140 4.224 4.340 0.039 0.000 0.240 253 R C 2.014 178.272 176.300 -0.070 0.000 1.139 253 R CA 1.848 57.925 56.100 -0.039 0.000 0.952 253 R CB -0.496 29.785 30.300 -0.032 0.000 0.854 253 R HN 0.552 nan 8.270 nan 0.000 0.436 254 L N 0.616 121.762 121.223 -0.128 0.000 2.265 254 L HA -0.114 4.250 4.340 0.039 0.000 0.215 254 L C 1.869 178.587 176.870 -0.254 0.000 1.117 254 L CA 0.793 55.450 54.840 -0.306 0.000 0.782 254 L CB -0.069 41.653 42.059 -0.563 0.000 0.914 254 L HN 0.253 nan 8.230 nan 0.000 0.441 255 V N -4.113 115.761 119.914 -0.066 0.000 3.542 255 V HA 0.479 4.623 4.120 0.039 0.000 0.296 255 V C 0.993 177.110 176.094 0.039 0.000 1.364 255 V CA 0.124 62.459 62.300 0.059 0.000 1.118 255 V CB -0.304 31.580 31.823 0.101 0.000 0.972 255 V HN 0.384 nan 8.190 nan 0.000 0.430 256 G N -0.280 108.524 108.800 0.006 0.000 2.401 256 G HA2 -0.181 3.802 3.960 0.039 0.000 0.283 256 G HA3 -0.181 3.802 3.960 0.039 0.000 0.283 256 G C -0.210 174.696 174.900 0.010 0.000 1.117 256 G CA -0.020 45.087 45.100 0.011 0.000 1.051 256 G HN 0.705 nan 8.290 nan 0.000 0.510 266 D N 1.541 121.933 120.400 -0.015 0.000 2.117 266 D HA -0.098 4.566 4.640 0.039 0.000 0.197 266 D C 1.380 177.669 176.300 -0.019 0.000 0.987 266 D CA 1.802 55.788 54.000 -0.023 0.000 0.829 266 D CB 0.026 40.812 40.800 -0.024 0.000 0.961 266 D HN 0.614 nan 8.370 nan 0.000 0.460 267 T N 1.198 115.748 114.554 -0.007 0.000 2.685 267 T HA -0.188 4.185 4.350 0.039 0.000 0.268 267 T C 1.811 176.515 174.700 0.006 0.000 1.034 267 T CA 1.422 63.523 62.100 0.003 0.000 1.149 267 T CB -0.217 68.655 68.868 0.008 0.000 0.860 267 T HN 0.332 nan 8.240 nan 0.000 0.449 268 E N 0.325 120.525 120.200 0.002 0.000 2.107 268 E HA 0.051 4.424 4.350 0.039 0.000 0.191 268 E C 2.210 178.810 176.600 0.001 0.000 0.982 268 E CA 0.426 56.829 56.400 0.004 0.000 0.809 268 E CB -0.201 29.500 29.700 0.003 0.000 0.756 268 E HN 0.362 nan 8.360 nan 0.000 0.459 269 L N 0.980 122.196 121.223 -0.013 0.000 2.017 269 L HA -0.187 4.176 4.340 0.039 0.000 0.208 269 L C 2.189 179.041 176.870 -0.031 0.000 1.073 269 L CA 1.366 56.190 54.840 -0.026 0.000 0.745 269 L CB -0.078 41.955 42.059 -0.043 0.000 0.894 269 L HN 0.109 nan 8.230 nan 0.000 0.432 270 I N -0.176 120.372 120.570 -0.038 0.000 2.315 270 I HA -0.251 3.943 4.170 0.039 0.000 0.248 270 I C 2.712 178.874 176.117 0.076 0.000 1.117 270 I CA 0.996 62.281 61.300 -0.025 0.000 1.404 270 I CB -0.561 37.422 38.000 -0.029 0.000 1.071 270 I HN 0.345 nan 8.210 nan 0.000 0.419 271 A N -0.258 122.594 122.820 0.053 0.000 1.933 271 A HA -0.290 4.054 4.320 0.039 0.000 0.218 271 A C 2.517 180.137 177.584 0.060 0.000 1.175 271 A CA 1.940 54.012 52.037 0.060 0.000 0.628 271 A CB -1.293 17.729 19.000 0.037 0.000 0.814 271 A HN 0.622 nan 8.150 nan 0.000 0.444 272 c N -0.739 117.888 118.600 0.044 0.000 2.450 272 c HA 0.093 4.686 4.570 0.039 0.000 0.279 272 c C 2.567 176.694 174.090 0.061 0.000 1.335 272 c CA 0.891 57.244 56.329 0.040 0.000 1.749 272 c CB -1.540 40.984 42.510 0.023 0.000 1.963 272 c HN 0.581 nan 8.230 nan 0.000 0.501 273 L N 0.352 121.625 121.223 0.082 0.000 2.083 273 L HA -0.087 4.276 4.340 0.039 0.000 0.209 273 L C 2.945 179.944 176.870 0.214 0.000 1.083 273 L CA 1.445 56.369 54.840 0.140 0.000 0.752 273 L CB -0.648 41.476 42.059 0.108 0.000 0.899 273 L HN 0.312 nan 8.230 nan 0.000 0.433 274 R N -0.522 120.113 120.500 0.226 0.000 2.241 274 R HA -0.127 4.237 4.340 0.039 0.000 0.224 274 R C 2.062 178.388 176.300 0.043 0.000 1.101 274 R CA 1.633 57.802 56.100 0.114 0.000 0.995 274 R CB -0.357 29.999 30.300 0.094 0.000 0.870 274 R HN 0.505 nan 8.270 nan 0.000 0.463 275 T N -1.911 112.673 114.554 0.050 0.000 3.081 275 T HA 0.120 4.493 4.350 0.039 0.000 0.250 275 T C 0.818 175.532 174.700 0.024 0.000 1.100 275 T CA -0.201 61.915 62.100 0.027 0.000 1.038 275 T CB 0.226 69.110 68.868 0.027 0.000 0.962 275 T HN -0.128 nan 8.240 nan 0.000 0.516 276 R N 2.553 123.076 120.500 0.038 0.000 2.390 276 R HA 0.419 4.782 4.340 0.039 0.000 0.291 276 R C -2.719 173.591 176.300 0.017 0.000 1.070 276 R CA -2.455 53.667 56.100 0.036 0.000 1.014 276 R CB 0.143 30.477 30.300 0.055 0.000 1.007 276 R HN 0.243 nan 8.270 nan 0.000 0.466 277 P HA -0.021 nan 4.420 nan 0.000 0.267 277 P C 0.361 177.636 177.300 -0.040 0.000 1.200 277 P CA 0.250 63.327 63.100 -0.039 0.000 0.772 277 P CB 0.620 32.302 31.700 -0.030 0.000 0.855 278 A N 2.751 125.477 122.820 -0.158 0.000 1.903 278 A HA -0.294 4.049 4.320 0.039 0.000 0.219 278 A C 2.115 179.686 177.584 -0.020 0.000 1.191 278 A CA 2.103 54.036 52.037 -0.173 0.000 0.638 278 A CB -1.357 16.994 19.000 -1.083 0.000 0.823 278 A HN 0.562 nan 8.150 nan 0.000 0.451 279 Q N -0.178 119.568 119.800 -0.091 0.000 2.291 279 Q HA -0.138 4.226 4.340 0.039 0.000 0.205 279 Q C 1.075 177.163 176.000 0.146 0.000 0.970 279 Q CA 1.787 57.707 55.803 0.194 0.000 0.876 279 Q CB -0.340 28.513 28.738 0.191 0.000 0.935 279 Q HN 0.651 nan 8.270 nan 0.000 0.455 280 D N -0.912 119.539 120.400 0.085 0.000 2.149 280 D HA -0.106 4.558 4.640 0.039 0.000 0.201 280 D C 1.373 177.726 176.300 0.090 0.000 0.972 280 D CA 0.609 54.655 54.000 0.076 0.000 0.835 280 D CB 0.014 40.859 40.800 0.075 0.000 0.966 280 D HN 0.218 nan 8.370 nan 0.000 0.476 281 L N 0.318 121.591 121.223 0.084 0.000 2.027 281 L HA -0.098 4.265 4.340 0.039 0.000 0.206 281 L C 2.448 179.341 176.870 0.039 0.000 1.074 281 L CA 0.974 55.822 54.840 0.015 0.000 0.745 281 L CB -0.853 41.120 42.059 -0.144 0.000 0.898 281 L HN -0.046 nan 8.230 nan 0.000 0.433 282 V N -0.355 119.659 119.914 0.167 0.000 2.407 282 V HA -0.282 3.861 4.120 0.039 0.000 0.248 282 V C 2.145 178.326 176.094 0.145 0.000 1.055 282 V CA 1.591 64.025 62.300 0.223 0.000 1.049 282 V CB -0.578 31.506 31.823 0.435 0.000 0.662 282 V HN 0.402 nan 8.190 nan 0.000 0.455 283 D N -0.890 119.556 120.400 0.078 0.000 2.190 283 D HA -0.164 4.499 4.640 0.039 0.000 0.200 283 D C 1.838 177.965 176.300 -0.287 0.000 0.992 283 D CA 1.357 55.315 54.000 -0.070 0.000 0.854 283 D CB -0.177 40.511 40.800 -0.187 0.000 0.936 283 D HN 0.512 nan 8.370 nan 0.000 0.462 284 H N -0.605 118.427 119.070 -0.064 0.000 2.652 284 H HA 0.161 4.740 4.556 0.039 0.000 0.274 284 H C 1.553 176.757 175.328 -0.207 0.000 1.021 284 H CA -0.082 55.848 56.048 -0.198 0.000 1.187 284 H CB 0.581 30.347 29.762 0.007 0.000 1.505 284 H HN 0.292 nan 8.280 nan 0.000 0.530 285 E N 0.588 120.729 120.200 -0.098 0.000 2.065 285 E HA -0.214 4.160 4.350 0.039 0.000 0.201 285 E C 0.706 177.101 176.600 -0.342 0.000 1.016 285 E CA 1.335 57.618 56.400 -0.196 0.000 0.818 285 E CB 0.009 29.446 29.700 -0.439 0.000 0.749 285 E HN 0.449 nan 8.360 nan 0.000 0.453 286 W N -0.561 120.676 121.300 -0.106 0.000 3.204 286 W HA 0.038 4.722 4.660 0.040 0.000 0.249 286 W C 1.034 177.605 176.519 0.087 0.000 1.322 286 W CA 0.127 57.421 57.345 -0.084 0.000 1.593 286 W CB 0.065 29.430 29.460 -0.158 0.000 1.122 286 W HN 0.240 nan 8.180 nan 0.000 0.710 287 H N -0.729 118.470 119.070 0.215 0.000 2.549 287 H HA 0.063 4.642 4.556 0.039 0.000 0.279 287 H C 1.712 177.096 175.328 0.092 0.000 1.018 287 H CA 0.165 56.315 56.048 0.170 0.000 1.175 287 H CB 0.393 30.280 29.762 0.208 0.000 1.485 287 H HN 0.132 nan 8.280 nan 0.000 0.543 288 V N -1.807 118.194 119.914 0.146 0.000 3.578 288 V HA 0.215 4.358 4.120 0.039 0.000 0.290 288 V C 0.503 176.587 176.094 -0.018 0.000 1.376 288 V CA -0.220 62.105 62.300 0.041 0.000 1.083 288 V CB -0.284 31.529 31.823 -0.017 0.000 0.911 288 V HN 0.135 nan 8.190 nan 0.000 0.433 289 L N 2.778 124.013 121.223 0.020 0.000 2.490 289 L HA 0.222 4.585 4.340 0.039 0.000 0.274 289 L C -0.237 176.638 176.870 0.008 0.000 1.201 289 L CA -0.919 53.922 54.840 0.003 0.000 0.869 289 L CB 0.757 42.850 42.059 0.058 0.000 1.123 289 L HN 0.152 nan 8.230 nan 0.000 0.484 290 P HA -0.106 nan 4.420 nan 0.000 0.222 290 P C -0.164 177.137 177.300 0.002 0.000 1.147 290 P CA 1.142 64.237 63.100 -0.008 0.000 0.790 290 P CB 0.480 32.169 31.700 -0.019 0.000 0.780 291 Q N -1.402 118.401 119.800 0.006 0.000 2.553 291 Q HA 0.338 4.701 4.340 0.039 0.000 0.293 291 Q C -0.747 175.261 176.000 0.014 0.000 1.038 291 Q CA -0.764 55.043 55.803 0.008 0.000 0.777 291 Q CB 1.294 30.034 28.738 0.003 0.000 1.487 291 Q HN -0.052 nan 8.270 nan 0.000 0.426 292 E N 0.781 120.988 120.200 0.013 0.000 2.376 292 E HA 0.414 4.787 4.350 0.039 0.000 0.266 292 E C -0.920 175.683 176.600 0.004 0.000 1.009 292 E CA 0.160 56.568 56.400 0.013 0.000 0.902 292 E CB 0.398 30.106 29.700 0.013 0.000 0.972 292 E HN 0.606 nan 8.360 nan 0.000 0.439 293 S N 3.634 119.332 115.700 -0.004 0.000 2.661 293 S HA 0.627 5.120 4.470 0.039 0.000 0.268 293 S C -0.604 173.974 174.600 -0.036 0.000 1.162 293 S CA -0.958 57.231 58.200 -0.017 0.000 0.817 293 S CB 0.485 63.671 63.200 -0.024 0.000 1.141 293 S HN 0.596 nan 8.310 nan 0.000 0.477 294 I N -3.506 117.039 120.570 -0.041 0.000 2.969 294 I HA 0.796 4.990 4.170 0.039 0.000 0.307 294 I C -0.395 175.660 176.117 -0.104 0.000 1.149 294 I CA -1.191 60.082 61.300 -0.046 0.000 1.008 294 I CB 1.463 39.490 38.000 0.045 0.000 1.232 294 I HN 0.787 nan 8.210 nan 0.000 0.435 295 F N 1.376 121.090 119.950 -0.394 0.000 3.091 295 F HA -0.204 4.346 4.527 0.038 0.000 0.288 295 F C -0.105 175.121 175.800 -0.956 0.000 0.907 295 F CA 0.797 58.318 58.000 -0.799 0.000 1.028 295 F CB -0.824 37.634 39.000 -0.904 0.000 1.022 295 F HN 0.735 nan 8.300 nan 0.000 0.665 296 R N 0.402 120.373 120.500 -0.882 0.000 2.621 296 R HA 0.704 5.067 4.340 0.039 0.000 0.284 296 R C -1.523 174.287 176.300 -0.816 0.000 0.998 296 R CA -0.398 55.309 56.100 -0.653 0.000 0.895 296 R CB 1.054 31.225 30.300 -0.215 0.000 1.195 296 R HN -0.037 nan 8.270 nan 0.000 0.450 297 F N 1.050 121.151 119.950 0.252 0.000 2.540 297 F HA 0.360 4.911 4.527 0.039 0.000 0.317 297 F C 1.214 177.010 175.800 -0.007 0.000 1.104 297 F CA -0.869 57.275 58.000 0.240 0.000 0.913 297 F CB 2.314 41.543 39.000 0.381 0.000 1.170 297 F HN 0.488 nan 8.300 nan 0.000 0.450 298 S N 1.137 116.779 115.700 -0.096 0.000 2.353 298 S HA -0.102 4.391 4.470 0.039 0.000 0.222 298 S C 0.076 174.216 174.600 -0.767 0.000 1.035 298 S CA 1.362 59.273 58.200 -0.483 0.000 1.025 298 S CB -0.268 62.548 63.200 -0.639 0.000 0.902 298 S HN 0.369 nan 8.310 nan 0.000 0.440 299 F N 1.329 121.294 119.950 0.025 0.000 2.434 299 F HA 0.563 5.113 4.527 0.039 0.000 0.355 299 F C 0.002 175.831 175.800 0.048 0.000 1.115 299 F CA -0.969 57.074 58.000 0.072 0.000 1.010 299 F CB 1.363 40.427 39.000 0.106 0.000 1.234 299 F HN -0.071 nan 8.300 nan 0.000 0.439 300 V N 0.849 120.733 119.914 -0.050 0.000 3.156 300 V HA 0.776 4.919 4.120 0.039 0.000 0.311 300 V C -2.894 172.864 176.094 -0.561 0.000 1.208 300 V CA -3.327 58.632 62.300 -0.568 0.000 1.063 300 V CB 2.040 33.700 31.823 -0.272 0.000 1.098 300 V HN 0.268 nan 8.190 nan 0.000 0.452 301 P HA 0.173 nan 4.420 nan 0.000 0.266 301 P C -0.859 176.312 177.300 -0.215 0.000 1.193 301 P CA 0.415 63.258 63.100 -0.427 0.000 0.770 301 P CB 0.571 31.917 31.700 -0.590 0.000 0.836 302 V N 4.292 124.150 119.914 -0.094 0.000 2.555 302 V HA 0.250 4.393 4.120 0.039 0.000 0.302 302 V C -0.471 175.599 176.094 -0.040 0.000 1.038 302 V CA -0.915 61.352 62.300 -0.055 0.000 0.887 302 V CB 2.151 33.971 31.823 -0.005 0.000 0.991 302 V HN 0.121 nan 8.190 nan 0.000 0.434 303 V N 7.460 127.351 119.914 -0.038 0.000 2.364 303 V HA 0.164 4.308 4.120 0.039 0.000 0.252 303 V C 0.904 177.000 176.094 0.003 0.000 1.075 303 V CA 0.435 62.726 62.300 -0.016 0.000 1.033 303 V CB 0.283 32.090 31.823 -0.025 0.000 1.116 303 V HN 1.058 nan 8.190 nan 0.000 0.488 304 D N 2.934 123.350 120.400 0.026 0.000 2.367 304 D HA 0.107 4.771 4.640 0.039 0.000 0.207 304 D C 1.523 177.845 176.300 0.036 0.000 1.034 304 D CA 0.727 54.748 54.000 0.034 0.000 0.861 304 D CB 0.417 41.249 40.800 0.054 0.000 0.943 304 D HN 0.694 nan 8.370 nan 0.000 0.515 305 G N 0.694 109.516 108.800 0.037 0.000 2.148 305 G HA2 -0.323 3.661 3.960 0.039 0.000 0.254 305 G HA3 -0.323 3.661 3.960 0.039 0.000 0.254 305 G C 0.418 175.340 174.900 0.037 0.000 0.981 305 G CA 0.752 45.869 45.100 0.029 0.000 0.670 305 G HN 0.543 nan 8.290 nan 0.000 0.528 306 D N -1.513 118.925 120.400 0.064 0.000 3.074 306 D HA 0.245 4.908 4.640 0.039 0.000 0.227 306 D C 1.755 178.113 176.300 0.096 0.000 1.553 306 D CA 0.399 54.441 54.000 0.071 0.000 1.347 306 D CB -0.569 40.282 40.800 0.085 0.000 1.021 306 D HN 0.090 nan 8.370 nan 0.000 0.260 307 F N 1.279 121.233 119.950 0.006 0.000 2.102 307 F HA 0.181 4.731 4.527 0.039 0.000 0.298 307 F C 0.634 176.430 175.800 -0.007 0.000 1.105 307 F CA 1.151 59.154 58.000 0.004 0.000 1.239 307 F CB 0.127 39.126 39.000 -0.001 0.000 0.991 307 F HN -0.020 nan 8.300 nan 0.000 0.474 308 L N 1.128 122.525 121.223 0.291 0.000 2.283 308 L HA 0.177 4.540 4.340 0.039 0.000 0.281 308 L C 1.489 178.405 176.870 0.077 0.000 1.033 308 L CA -0.132 54.807 54.840 0.165 0.000 0.848 308 L CB 1.156 43.288 42.059 0.121 0.000 1.226 308 L HN 0.133 nan 8.230 nan 0.000 0.429 309 S N 0.758 116.483 115.700 0.042 0.000 2.419 309 S HA -0.079 4.415 4.470 0.039 0.000 0.233 309 S C 0.547 175.156 174.600 0.015 0.000 1.016 309 S CA 0.784 58.996 58.200 0.020 0.000 0.974 309 S CB 0.169 63.371 63.200 0.003 0.000 0.786 309 S HN 0.712 nan 8.310 nan 0.000 0.492 310 D N -0.173 120.237 120.400 0.017 0.000 2.759 310 D HA 0.312 4.976 4.640 0.039 0.000 0.321 310 D C -0.804 175.498 176.300 0.003 0.000 1.267 310 D CA 0.094 54.098 54.000 0.006 0.000 0.933 310 D CB 1.480 42.281 40.800 0.003 0.000 1.431 310 D HN 0.270 nan 8.370 nan 0.000 0.504 311 T N -1.124 113.424 114.554 -0.009 0.000 2.900 311 T HA 0.259 4.633 4.350 0.039 0.000 0.307 311 T C -1.834 172.855 174.700 -0.018 0.000 1.065 311 T CA -0.757 61.328 62.100 -0.024 0.000 1.105 311 T CB 1.090 69.938 68.868 -0.034 0.000 0.979 311 T HN 0.090 nan 8.240 nan 0.000 0.544 312 P HA -0.109 nan 4.420 nan 0.000 0.216 312 P C 1.500 178.789 177.300 -0.019 0.000 1.150 312 P CA 1.218 64.298 63.100 -0.032 0.000 0.837 312 P CB 0.070 31.718 31.700 -0.086 0.000 0.786 313 E N -0.088 120.090 120.200 -0.036 0.000 2.038 313 E HA -0.226 4.147 4.350 0.039 0.000 0.195 313 E C 1.939 178.541 176.600 0.004 0.000 1.000 313 E CA 1.540 57.926 56.400 -0.023 0.000 0.803 313 E CB -0.718 28.961 29.700 -0.035 0.000 0.750 313 E HN 0.064 nan 8.360 nan 0.000 0.448 314 A N 1.082 123.903 122.820 0.001 0.000 1.902 314 A HA -0.150 4.193 4.320 0.039 0.000 0.217 314 A C 2.283 179.884 177.584 0.028 0.000 1.181 314 A CA 1.472 53.515 52.037 0.010 0.000 0.623 314 A CB -0.749 18.252 19.000 0.000 0.000 0.818 314 A HN 0.361 nan 8.150 nan 0.000 0.443 315 L N -0.147 121.101 121.223 0.041 0.000 2.093 315 L HA -0.151 4.212 4.340 0.039 0.000 0.208 315 L C 2.560 179.528 176.870 0.164 0.000 1.085 315 L CA 1.590 56.475 54.840 0.075 0.000 0.755 315 L CB -0.660 41.449 42.059 0.082 0.000 0.904 315 L HN 0.686 nan 8.230 nan 0.000 0.435 316 I N -3.407 117.262 120.570 0.164 0.000 2.761 316 I HA -0.073 4.121 4.170 0.039 0.000 0.261 316 I C 1.932 178.184 176.117 0.226 0.000 1.198 316 I CA 0.999 62.456 61.300 0.262 0.000 1.482 316 I CB -0.383 37.673 38.000 0.092 0.000 1.100 316 I HN 0.153 nan 8.210 nan 0.000 0.445 317 N N 1.506 120.274 118.700 0.113 0.000 2.331 317 N HA -0.089 4.674 4.740 0.039 0.000 0.180 317 N C 1.772 177.317 175.510 0.058 0.000 1.019 317 N CA 1.985 55.082 53.050 0.079 0.000 0.881 317 N CB -0.169 38.343 38.487 0.041 0.000 0.972 317 N HN 0.652 nan 8.380 nan 0.000 0.435 318 T N -3.223 111.351 114.554 0.034 0.000 3.085 318 T HA 0.342 4.715 4.350 0.039 0.000 0.264 318 T C 0.780 175.412 174.700 -0.112 0.000 1.019 318 T CA -0.569 61.517 62.100 -0.025 0.000 0.910 318 T CB 0.172 69.024 68.868 -0.027 0.000 1.059 318 T HN 0.012 nan 8.240 nan 0.000 0.542 319 G N 0.674 109.363 108.800 -0.186 0.000 2.476 319 G HA2 0.464 4.448 3.960 0.039 0.000 0.286 319 G HA3 0.464 4.448 3.960 0.039 0.000 0.286 319 G C -1.236 173.168 174.900 -0.827 0.000 1.177 319 G CA -0.521 44.208 45.100 -0.619 0.000 0.870 319 G HN 0.311 nan 8.290 nan 0.000 0.528 320 D N 0.015 119.938 120.400 -0.796 0.000 2.392 320 D HA 0.367 5.030 4.640 0.039 0.000 0.228 320 D C -0.536 175.408 176.300 -0.594 0.000 1.074 320 D CA -0.710 52.990 54.000 -0.499 0.000 0.838 320 D CB 0.609 41.256 40.800 -0.254 0.000 1.067 320 D HN 0.077 nan 8.370 nan 0.000 0.511 321 F N 2.369 122.322 119.950 0.005 0.000 2.850 321 F HA 0.210 4.761 4.527 0.039 0.000 0.306 321 F C 2.000 177.804 175.800 0.008 0.000 1.162 321 F CA -0.514 57.491 58.000 0.008 0.000 1.327 321 F CB 0.294 39.307 39.000 0.021 0.000 0.953 321 F HN 0.320 nan 8.300 nan 0.000 0.507 322 Q N 0.518 120.375 119.800 0.094 0.000 2.029 322 Q HA -0.191 4.173 4.340 0.039 0.000 0.209 322 Q C 0.429 176.466 176.000 0.062 0.000 0.999 322 Q CA 1.613 57.453 55.803 0.062 0.000 0.857 322 Q CB -0.157 28.591 28.738 0.016 0.000 0.926 322 Q HN 0.398 nan 8.270 nan 0.000 0.415 323 D N 0.352 120.781 120.400 0.049 0.000 3.072 323 D HA 0.201 4.864 4.640 0.039 0.000 0.250 323 D C -0.516 175.811 176.300 0.045 0.000 1.304 323 D CA -0.011 54.010 54.000 0.035 0.000 0.861 323 D CB -0.100 40.707 40.800 0.011 0.000 1.062 323 D HN 0.004 nan 8.370 nan 0.000 0.481 324 L N 0.897 122.169 121.223 0.082 0.000 2.385 324 L HA 0.329 4.692 4.340 0.039 0.000 0.273 324 L C -1.134 175.803 176.870 0.112 0.000 0.990 324 L CA -0.510 54.385 54.840 0.092 0.000 0.821 324 L CB 2.194 44.334 42.059 0.135 0.000 1.279 324 L HN -0.233 nan 8.230 nan 0.000 0.412 325 Q N 3.242 123.122 119.800 0.134 0.000 2.316 325 Q HA 0.785 5.149 4.340 0.039 0.000 0.264 325 Q C -1.405 174.835 176.000 0.399 0.000 0.987 325 Q CA -0.475 55.466 55.803 0.230 0.000 0.852 325 Q CB 2.614 31.446 28.738 0.156 0.000 1.287 325 Q HN 0.479 nan 8.270 nan 0.000 0.448 326 V N 2.580 122.707 119.914 0.356 0.000 2.760 326 V HA 0.480 4.623 4.120 0.039 0.000 0.309 326 V C -1.458 174.592 176.094 -0.073 0.000 1.077 326 V CA -0.896 61.526 62.300 0.204 0.000 0.910 326 V CB 1.983 33.834 31.823 0.047 0.000 1.008 326 V HN 0.616 nan 8.190 nan 0.000 0.424 327 L N 7.015 127.961 121.223 -0.462 0.000 2.313 327 L HA 0.916 5.279 4.340 0.039 0.000 0.283 327 L C -0.460 176.258 176.870 -0.254 0.000 1.013 327 L CA -0.106 54.360 54.840 -0.622 0.000 0.816 327 L CB 1.617 42.826 42.059 -1.416 0.000 1.236 327 L HN 0.618 nan 8.230 nan 0.000 0.419 328 V N 1.939 121.775 119.914 -0.129 0.000 3.078 328 V HA 1.131 5.274 4.120 0.039 0.000 0.311 328 V C -0.213 175.651 176.094 -0.383 0.000 1.138 328 V CA 0.158 62.373 62.300 -0.143 0.000 1.007 328 V CB 1.234 32.949 31.823 -0.180 0.000 1.045 328 V HN 1.117 nan 8.190 nan 0.000 0.432 329 G N 0.342 108.796 108.800 -0.577 0.000 2.495 329 G HA2 0.787 4.770 3.960 0.039 0.000 0.294 329 G HA3 0.787 4.770 3.960 0.039 0.000 0.294 329 G C -1.200 173.415 174.900 -0.474 0.000 1.397 329 G CA 0.083 44.446 45.100 -1.228 0.000 0.790 329 G HN 2.086 nan 8.290 nan 0.000 0.486 330 V N -2.532 117.234 119.914 -0.247 0.000 3.182 330 V HA 0.931 5.075 4.120 0.039 0.000 0.308 330 V C 0.200 176.489 176.094 0.325 0.000 1.240 330 V CA -0.410 61.949 62.300 0.098 0.000 1.063 330 V CB 1.146 33.005 31.823 0.060 0.000 1.076 330 V HN 1.842 nan 8.190 nan 0.000 0.446 331 V N -0.972 119.142 119.914 0.333 0.000 3.096 331 V HA 0.587 4.731 4.120 0.039 0.000 0.319 331 V C 1.366 177.654 176.094 0.323 0.000 1.082 331 V CA -0.046 62.502 62.300 0.413 0.000 1.022 331 V CB 1.304 33.349 31.823 0.370 0.000 1.103 331 V HN 1.082 nan 8.190 nan 0.000 0.455 332 K N -0.192 120.398 120.400 0.316 0.000 2.147 332 K HA -0.069 4.274 4.320 0.039 0.000 0.205 332 K C 0.206 176.932 176.600 0.209 0.000 1.049 332 K CA 1.865 58.292 56.287 0.234 0.000 0.936 332 K CB 0.071 32.687 32.500 0.193 0.000 0.722 332 K HN 0.911 nan 8.250 nan 0.000 0.446 333 D N 1.025 121.556 120.400 0.218 0.000 2.513 333 D HA 0.029 4.693 4.640 0.039 0.000 0.295 333 D C 0.013 176.452 176.300 0.231 0.000 1.202 333 D CA -0.123 53.996 54.000 0.200 0.000 0.849 333 D CB 1.396 42.292 40.800 0.159 0.000 1.116 333 D HN 0.105 nan 8.370 nan 0.000 0.502 334 E N 0.708 121.060 120.200 0.254 0.000 2.130 334 E HA -0.136 4.238 4.350 0.039 0.000 0.196 334 E C 1.895 178.707 176.600 0.353 0.000 0.998 334 E CA 0.872 57.464 56.400 0.320 0.000 0.806 334 E CB 0.153 30.008 29.700 0.259 0.000 0.738 334 E HN 0.477 nan 8.360 nan 0.000 0.459 335 G N 0.645 109.613 108.800 0.281 0.000 2.887 335 G HA2 -0.104 3.879 3.960 0.039 0.000 0.211 335 G HA3 -0.104 3.879 3.960 0.039 0.000 0.211 335 G C 1.648 176.743 174.900 0.324 0.000 1.152 335 G CA 0.669 45.966 45.100 0.328 0.000 0.769 335 G HN 0.336 nan 8.290 nan 0.000 0.541 336 S N 0.510 116.346 115.700 0.226 0.000 2.359 336 S HA -0.304 4.189 4.470 0.039 0.000 0.223 336 S C 2.123 176.741 174.600 0.031 0.000 1.039 336 S CA 1.496 59.779 58.200 0.138 0.000 1.042 336 S CB -0.887 62.288 63.200 -0.042 0.000 0.915 336 S HN 0.471 nan 8.310 nan 0.000 0.439 337 Y N 2.214 122.366 120.300 -0.246 0.000 2.102 337 Y HA -0.219 4.354 4.550 0.038 0.000 0.280 337 Y C 1.821 177.543 175.900 -0.296 0.000 1.178 337 Y CA 1.905 59.703 58.100 -0.505 0.000 1.146 337 Y CB -0.745 37.315 38.460 -0.666 0.000 0.968 337 Y HN 0.269 nan 8.280 nan 0.000 0.504 338 F N -0.194 119.798 119.950 0.070 0.000 2.365 338 F HA -0.143 4.407 4.527 0.038 0.000 0.300 338 F C 2.057 177.866 175.800 0.016 0.000 1.090 338 F CA 0.841 58.846 58.000 0.009 0.000 1.408 338 F CB -0.596 38.393 39.000 -0.018 0.000 1.060 338 F HN 0.068 nan 8.300 nan 0.000 0.534 339 L N -0.005 121.296 121.223 0.129 0.000 2.083 339 L HA -0.153 4.211 4.340 0.039 0.000 0.209 339 L C 2.448 179.359 176.870 0.069 0.000 1.083 339 L CA 1.124 55.936 54.840 -0.046 0.000 0.752 339 L CB -0.872 40.973 42.059 -0.358 0.000 0.899 339 L HN 0.209 nan 8.230 nan 0.000 0.433 340 V N -4.422 115.570 119.914 0.131 0.000 3.380 340 V HA -0.173 3.971 4.120 0.039 0.000 0.268 340 V C 1.213 177.243 176.094 -0.106 0.000 1.168 340 V CA 0.870 63.237 62.300 0.113 0.000 1.156 340 V CB -1.094 30.826 31.823 0.163 0.000 0.785 340 V HN 0.333 nan 8.190 nan 0.000 0.487 341 Y N 1.381 121.664 120.300 -0.028 0.000 2.683 341 Y HA 0.667 5.240 4.550 0.039 0.000 0.297 341 Y C 1.664 177.522 175.900 -0.069 0.000 1.147 341 Y CA 0.304 58.350 58.100 -0.089 0.000 1.274 341 Y CB 0.723 39.078 38.460 -0.175 0.000 1.143 341 Y HN 0.404 nan 8.280 nan 0.000 0.527 342 G N -1.250 107.602 108.800 0.087 0.000 4.226 342 G HA2 -0.060 3.923 3.960 0.039 0.000 0.220 342 G HA3 -0.060 3.923 3.960 0.039 0.000 0.220 342 G C -0.792 174.148 174.900 0.067 0.000 0.817 342 G CA -0.452 44.683 45.100 0.058 0.000 0.879 342 G HN -0.041 nan 8.290 nan 0.000 0.669 343 V N 2.696 122.667 119.914 0.094 0.000 2.350 343 V HA 0.423 4.566 4.120 0.039 0.000 0.276 343 V C -2.042 174.199 176.094 0.244 0.000 1.028 343 V CA -1.687 60.695 62.300 0.136 0.000 0.860 343 V CB 1.379 33.230 31.823 0.047 0.000 0.990 343 V HN 0.034 nan 8.190 nan 0.000 0.453 344 P HA 0.259 nan 4.420 nan 0.000 0.264 344 P C 0.998 178.398 177.300 0.166 0.000 1.193 344 P CA 1.308 64.491 63.100 0.139 0.000 0.763 344 P CB 0.677 32.429 31.700 0.086 0.000 0.810 345 G N 1.617 110.460 108.800 0.071 0.000 2.238 345 G HA2 -0.201 3.783 3.960 0.039 0.000 0.217 345 G HA3 -0.201 3.783 3.960 0.039 0.000 0.217 345 G C -0.178 174.551 174.900 -0.285 0.000 0.996 345 G CA -0.620 44.408 45.100 -0.120 0.000 0.632 345 G HN 0.391 nan 8.290 nan 0.000 0.503 346 F N 1.650 121.593 119.950 -0.012 0.000 2.422 346 F HA 0.801 5.351 4.527 0.038 0.000 0.333 346 F C 0.612 176.473 175.800 0.102 0.000 1.095 346 F CA -0.122 57.880 58.000 0.005 0.000 1.038 346 F CB 2.244 41.289 39.000 0.074 0.000 1.156 346 F HN 0.259 nan 8.300 nan 0.000 0.483 347 S N 1.566 117.462 115.700 0.328 0.000 2.547 347 S HA 0.304 4.797 4.470 0.039 0.000 0.270 347 S C 0.065 174.942 174.600 0.461 0.000 1.150 347 S CA -0.839 57.564 58.200 0.338 0.000 0.850 347 S CB 1.467 64.777 63.200 0.183 0.000 1.118 347 S HN 0.758 nan 8.310 nan 0.000 0.461 348 K N 1.001 121.596 120.400 0.325 0.000 2.418 348 K HA 0.169 4.513 4.320 0.039 0.000 0.195 348 K C 0.190 176.827 176.600 0.061 0.000 1.035 348 K CA 0.938 57.342 56.287 0.196 0.000 1.003 348 K CB -0.090 32.279 32.500 -0.219 0.000 0.793 348 K HN 0.469 nan 8.250 nan 0.000 0.494 349 D N 0.966 121.385 120.400 0.032 0.000 2.348 349 D HA -0.014 4.650 4.640 0.039 0.000 0.211 349 D C -0.149 176.174 176.300 0.037 0.000 0.998 349 D CA 0.430 54.418 54.000 -0.019 0.000 0.873 349 D CB 0.077 40.847 40.800 -0.049 0.000 0.925 349 D HN 0.485 nan 8.370 nan 0.000 0.524 350 N N -0.890 117.858 118.700 0.081 0.000 2.701 350 N HA 0.146 4.909 4.740 0.039 0.000 0.290 350 N C 0.166 175.692 175.510 0.025 0.000 1.338 350 N CA -0.639 52.426 53.050 0.026 0.000 0.799 350 N CB 0.684 39.148 38.487 -0.039 0.000 1.491 350 N HN -0.321 nan 8.380 nan 0.000 0.540 351 E N -0.545 119.608 120.200 -0.079 0.000 2.511 351 E HA 0.032 4.406 4.350 0.039 0.000 0.196 351 E C -0.513 175.707 176.600 -0.633 0.000 1.066 351 E CA 0.208 56.485 56.400 -0.205 0.000 0.871 351 E CB -0.363 29.276 29.700 -0.101 0.000 0.863 351 E HN 0.584 nan 8.360 nan 0.000 0.520 352 S N 0.453 115.805 115.700 -0.581 0.000 3.549 352 S HA -0.203 4.291 4.470 0.039 0.000 0.366 352 S C 0.258 174.383 174.600 -0.792 0.000 1.012 352 S CA 0.252 57.964 58.200 -0.814 0.000 1.141 352 S CB -1.812 60.626 63.200 -1.270 0.000 0.910 352 S HN 0.336 nan 8.310 nan 0.000 0.471 353 L N 1.641 122.574 121.223 -0.483 0.000 2.433 353 L HA 0.423 4.787 4.340 0.039 0.000 0.275 353 L C 0.838 177.497 176.870 -0.351 0.000 1.128 353 L CA -0.132 54.494 54.840 -0.356 0.000 0.875 353 L CB 0.090 42.017 42.059 -0.219 0.000 1.171 353 L HN 0.465 nan 8.230 nan 0.000 0.463 354 I N 0.225 120.589 120.570 -0.344 0.000 3.076 354 I HA 0.669 4.862 4.170 0.039 0.000 0.313 354 I C 0.443 176.492 176.117 -0.115 0.000 1.053 354 I CA -0.674 60.474 61.300 -0.254 0.000 1.048 354 I CB 1.911 39.754 38.000 -0.262 0.000 1.264 354 I HN 0.544 nan 8.210 nan 0.000 0.498 355 S N 1.363 117.033 115.700 -0.051 0.000 2.687 355 S HA 0.421 4.915 4.470 0.039 0.000 0.283 355 S C 0.829 175.468 174.600 0.065 0.000 1.170 355 S CA -0.616 57.581 58.200 -0.005 0.000 1.008 355 S CB 1.797 64.998 63.200 0.001 0.000 1.026 355 S HN 0.847 nan 8.310 nan 0.000 0.541 356 R N 0.690 121.233 120.500 0.070 0.000 2.096 356 R HA -0.056 4.307 4.340 0.039 0.000 0.235 356 R C 2.246 178.648 176.300 0.170 0.000 1.127 356 R CA 1.692 57.878 56.100 0.144 0.000 0.968 356 R CB -1.061 29.297 30.300 0.096 0.000 0.861 356 R HN 0.840 nan 8.270 nan 0.000 0.440 357 A N 0.281 123.161 122.820 0.101 0.000 1.930 357 A HA -0.172 4.171 4.320 0.039 0.000 0.217 357 A C 1.985 179.621 177.584 0.087 0.000 1.175 357 A CA 1.359 53.443 52.037 0.079 0.000 0.627 357 A CB -0.372 18.658 19.000 0.050 0.000 0.815 357 A HN 0.499 nan 8.150 nan 0.000 0.443 358 Q N -1.879 117.983 119.800 0.104 0.000 2.224 358 Q HA -0.068 4.295 4.340 0.039 0.000 0.203 358 Q C 1.795 177.919 176.000 0.207 0.000 0.970 358 Q CA 1.264 57.141 55.803 0.122 0.000 0.865 358 Q CB -0.224 28.566 28.738 0.086 0.000 0.922 358 Q HN 0.834 nan 8.270 nan 0.000 0.445 359 F N 0.867 120.861 119.950 0.073 0.000 2.128 359 F HA -0.144 4.410 4.527 0.045 0.000 0.295 359 F C 1.677 177.520 175.800 0.072 0.000 1.100 359 F CA 0.827 58.881 58.000 0.090 0.000 1.260 359 F CB 0.164 39.201 39.000 0.062 0.000 1.009 359 F HN -0.047 nan 8.300 nan 0.000 0.476 360 L N 0.212 121.349 121.223 -0.142 0.000 2.141 360 L HA -0.142 4.222 4.340 0.039 0.000 0.209 360 L C 2.783 179.571 176.870 -0.137 0.000 1.094 360 L CA 0.959 55.659 54.840 -0.234 0.000 0.763 360 L CB -1.380 40.633 42.059 -0.075 0.000 0.908 360 L HN 0.256 nan 8.230 nan 0.000 0.437 361 A N 0.756 123.552 122.820 -0.041 0.000 1.897 361 A HA -0.031 4.312 4.320 0.039 0.000 0.215 361 A C 2.447 180.026 177.584 -0.009 0.000 1.181 361 A CA 1.448 53.480 52.037 -0.007 0.000 0.620 361 A CB -1.091 17.929 19.000 0.033 0.000 0.821 361 A HN 0.399 nan 8.150 nan 0.000 0.443 362 G N -0.404 108.405 108.800 0.015 0.000 2.418 362 G HA2 -0.136 3.847 3.960 0.039 0.000 0.217 362 G HA3 -0.136 3.847 3.960 0.039 0.000 0.217 362 G C 1.492 176.362 174.900 -0.049 0.000 1.158 362 G CA 1.252 46.370 45.100 0.029 0.000 0.771 362 G HN 0.304 nan 8.290 nan 0.000 0.545 363 V N 1.114 120.934 119.914 -0.156 0.000 2.407 363 V HA -0.147 3.997 4.120 0.039 0.000 0.248 363 V C 2.942 178.986 176.094 -0.083 0.000 1.055 363 V CA 1.709 63.911 62.300 -0.163 0.000 1.049 363 V CB -0.375 31.267 31.823 -0.300 0.000 0.662 363 V HN 0.254 nan 8.190 nan 0.000 0.455 364 R N -0.305 120.154 120.500 -0.068 0.000 2.148 364 R HA 0.078 4.441 4.340 0.039 0.000 0.227 364 R C 1.989 178.277 176.300 -0.021 0.000 1.103 364 R CA 1.161 57.239 56.100 -0.037 0.000 0.983 364 R CB -0.659 29.625 30.300 -0.027 0.000 0.874 364 R HN 0.474 nan 8.270 nan 0.000 0.451 365 I N -0.452 120.108 120.570 -0.017 0.000 2.480 365 I HA -0.034 4.160 4.170 0.039 0.000 0.251 365 I C 2.249 178.363 176.117 -0.005 0.000 1.124 365 I CA 1.136 62.433 61.300 -0.005 0.000 1.444 365 I CB -0.433 37.571 38.000 0.006 0.000 1.098 365 I HN 0.168 nan 8.210 nan 0.000 0.428 366 G N 0.451 109.244 108.800 -0.012 0.000 2.448 366 G HA2 -0.052 3.931 3.960 0.039 0.000 0.218 366 G HA3 -0.052 3.931 3.960 0.039 0.000 0.218 366 G C 0.848 175.753 174.900 0.008 0.000 1.135 366 G CA 0.469 45.567 45.100 -0.003 0.000 0.784 366 G HN 0.239 nan 8.290 nan 0.000 0.543 367 V N 2.146 122.044 119.914 -0.027 0.000 2.405 367 V HA 0.209 4.353 4.120 0.039 0.000 0.253 367 V C -1.297 174.785 176.094 -0.020 0.000 0.963 367 V CA -1.049 61.203 62.300 -0.081 0.000 1.003 367 V CB 1.532 33.269 31.823 -0.144 0.000 1.251 367 V HN 0.090 nan 8.190 nan 0.000 0.520 368 P HA -0.181 nan 4.420 nan 0.000 0.218 368 P C 0.933 178.239 177.300 0.011 0.000 1.146 368 P CA 1.239 64.345 63.100 0.010 0.000 0.813 368 P CB 0.570 32.277 31.700 0.011 0.000 0.778 369 Q N -0.570 119.246 119.800 0.027 0.000 2.403 369 Q HA 0.298 4.661 4.340 0.039 0.000 0.203 369 Q C 0.748 176.752 176.000 0.007 0.000 0.932 369 Q CA -0.084 55.731 55.803 0.020 0.000 0.945 369 Q CB -0.374 28.387 28.738 0.037 0.000 1.045 369 Q HN 0.209 nan 8.270 nan 0.000 0.511 370 A N 0.778 123.597 122.820 -0.002 0.000 2.409 370 A HA 0.470 4.813 4.320 0.039 0.000 0.262 370 A C 0.419 177.996 177.584 -0.012 0.000 1.113 370 A CA -0.379 51.651 52.037 -0.012 0.000 0.790 370 A CB 0.224 19.213 19.000 -0.018 0.000 1.046 370 A HN 0.332 nan 8.150 nan 0.000 0.496 371 S N 1.997 117.688 115.700 -0.016 0.000 2.596 371 S HA 0.099 4.592 4.470 0.039 0.000 0.260 371 S C 0.397 174.995 174.600 -0.004 0.000 1.336 371 S CA 0.073 58.266 58.200 -0.012 0.000 0.993 371 S CB 0.456 63.645 63.200 -0.017 0.000 0.923 371 S HN 0.638 nan 8.310 nan 0.000 0.567 372 D N 0.145 120.546 120.400 0.001 0.000 2.144 372 D HA -0.087 4.576 4.640 0.039 0.000 0.199 372 D C 1.796 178.108 176.300 0.020 0.000 0.984 372 D CA 0.867 54.872 54.000 0.008 0.000 0.834 372 D CB -0.436 40.369 40.800 0.009 0.000 0.955 372 D HN 0.419 nan 8.370 nan 0.000 0.465 373 L N 1.245 122.481 121.223 0.022 0.000 2.017 373 L HA -0.056 4.307 4.340 0.039 0.000 0.208 373 L C 2.198 179.103 176.870 0.059 0.000 1.073 373 L CA 1.776 56.641 54.840 0.042 0.000 0.745 373 L CB -0.895 41.185 42.059 0.036 0.000 0.894 373 L HN -0.033 nan 8.230 nan 0.000 0.432 374 A N -0.516 122.321 122.820 0.028 0.000 1.933 374 A HA -0.102 4.242 4.320 0.039 0.000 0.218 374 A C 2.426 180.038 177.584 0.046 0.000 1.175 374 A CA 1.835 53.885 52.037 0.023 0.000 0.628 374 A CB -1.139 17.838 19.000 -0.039 0.000 0.814 374 A HN 0.586 nan 8.150 nan 0.000 0.444 375 A N -0.581 122.255 122.820 0.026 0.000 1.969 375 A HA -0.079 4.264 4.320 0.039 0.000 0.218 375 A C 1.955 179.564 177.584 0.041 0.000 1.169 375 A CA 1.992 54.039 52.037 0.016 0.000 0.635 375 A CB -0.377 18.616 19.000 -0.010 0.000 0.810 375 A HN 0.501 nan 8.150 nan 0.000 0.445 376 E N 0.404 120.640 120.200 0.061 0.000 2.072 376 E HA -0.034 4.340 4.350 0.039 0.000 0.191 376 E C 2.035 178.718 176.600 0.138 0.000 0.985 376 E CA 1.469 57.921 56.400 0.087 0.000 0.801 376 E CB -0.482 29.267 29.700 0.081 0.000 0.750 376 E HN 0.450 nan 8.360 nan 0.000 0.452 377 A N 0.029 122.954 122.820 0.175 0.000 1.908 377 A HA -0.153 4.190 4.320 0.039 0.000 0.218 377 A C 2.500 180.230 177.584 0.243 0.000 1.181 377 A CA 1.683 53.871 52.037 0.252 0.000 0.627 377 A CB -0.795 18.463 19.000 0.430 0.000 0.818 377 A HN 0.199 nan 8.150 nan 0.000 0.445 378 V N -0.472 119.605 119.914 0.271 0.000 2.295 378 V HA -0.230 3.913 4.120 0.039 0.000 0.246 378 V C 2.585 178.851 176.094 0.287 0.000 1.049 378 V CA 1.991 64.456 62.300 0.274 0.000 1.024 378 V CB -0.733 31.196 31.823 0.177 0.000 0.648 378 V HN 0.378 nan 8.190 nan 0.000 0.447 379 V N -0.141 119.875 119.914 0.170 0.000 2.332 379 V HA -0.263 3.880 4.120 0.039 0.000 0.248 379 V C 2.284 178.566 176.094 0.314 0.000 1.055 379 V CA 2.001 64.417 62.300 0.192 0.000 1.038 379 V CB -0.533 31.323 31.823 0.054 0.000 0.651 379 V HN 0.454 nan 8.190 nan 0.000 0.450 380 L N -0.708 120.695 121.223 0.300 0.000 2.141 380 L HA -0.185 4.179 4.340 0.039 0.000 0.209 380 L C 2.513 179.578 176.870 0.325 0.000 1.094 380 L CA 1.891 56.992 54.840 0.436 0.000 0.763 380 L CB -0.747 41.496 42.059 0.307 0.000 0.908 380 L HN 0.468 nan 8.230 nan 0.000 0.437 381 H N -0.896 118.170 119.070 -0.006 0.000 2.395 381 H HA -0.154 4.427 4.556 0.042 0.000 0.299 381 H C 1.822 177.031 175.328 -0.199 0.000 1.070 381 H CA 1.710 57.591 56.048 -0.278 0.000 1.356 381 H CB 0.091 29.310 29.762 -0.906 0.000 1.401 381 H HN 0.220 nan 8.280 nan 0.000 0.524 382 Y N 0.014 120.370 120.300 0.093 0.000 2.523 382 Y HA 0.116 4.689 4.550 0.038 0.000 0.279 382 Y C 0.805 176.683 175.900 -0.037 0.000 1.139 382 Y CA 0.386 58.556 58.100 0.117 0.000 1.296 382 Y CB 0.275 38.945 38.460 0.351 0.000 1.045 382 Y HN 0.049 nan 8.280 nan 0.000 0.538 383 T N 1.327 115.867 114.554 -0.024 0.000 2.930 383 T HA -0.056 4.317 4.350 0.039 0.000 0.306 383 T C -0.187 174.139 174.700 -0.624 0.000 1.045 383 T CA -0.255 61.567 62.100 -0.464 0.000 1.134 383 T CB 0.387 68.643 68.868 -1.020 0.000 0.961 383 T HN 0.065 nan 8.240 nan 0.000 0.545 384 D N 1.876 121.988 120.400 -0.481 0.000 2.428 384 D HA 0.089 4.753 4.640 0.039 0.000 0.221 384 D C 0.131 176.195 176.300 -0.392 0.000 1.123 384 D CA -0.621 53.205 54.000 -0.290 0.000 0.869 384 D CB 0.356 41.106 40.800 -0.083 0.000 1.032 384 D HN 0.626 nan 8.370 nan 0.000 0.506 385 W N 2.998 124.252 121.300 -0.077 0.000 2.747 385 W HA -0.019 4.662 4.660 0.035 0.000 0.244 385 W C 1.940 178.368 176.519 -0.152 0.000 1.270 385 W CA -0.177 57.113 57.345 -0.093 0.000 1.333 385 W CB 0.117 29.529 29.460 -0.081 0.000 1.139 385 W HN 0.433 nan 8.180 nan 0.000 0.662 386 L N -1.364 119.789 121.223 -0.118 0.000 2.477 386 L HA 0.042 4.405 4.340 0.039 0.000 0.220 386 L C 0.107 176.592 176.870 -0.642 0.000 1.106 386 L CA 0.793 55.410 54.840 -0.372 0.000 0.851 386 L CB 0.003 41.751 42.059 -0.517 0.000 0.994 386 L HN 0.021 nan 8.230 nan 0.000 0.462 387 H N -1.987 116.961 119.070 -0.204 0.000 2.947 387 H HA 0.133 4.695 4.556 0.010 0.000 0.222 387 H C -1.864 173.291 175.328 -0.289 0.000 1.414 387 H CA -0.981 54.900 56.048 -0.280 0.000 1.224 387 H CB 0.186 29.626 29.762 -0.538 0.000 2.100 387 H HN -0.045 nan 8.280 nan 0.000 0.524 388 P HA -0.166 nan 4.420 nan 0.000 0.226 388 P C 0.475 177.683 177.300 -0.153 0.000 1.146 388 P CA 1.279 64.227 63.100 -0.253 0.000 0.773 388 P CB 0.628 32.202 31.700 -0.211 0.000 0.772 389 E N -0.729 119.423 120.200 -0.080 0.000 2.562 389 E HA 0.047 4.421 4.350 0.039 0.000 0.214 389 E C 0.003 176.574 176.600 -0.049 0.000 0.979 389 E CA -0.195 56.177 56.400 -0.047 0.000 1.002 389 E CB 0.003 29.695 29.700 -0.013 0.000 1.048 389 E HN 0.211 nan 8.360 nan 0.000 0.488 390 D N 3.548 123.914 120.400 -0.057 0.000 2.412 390 D HA -0.026 4.637 4.640 0.039 0.000 0.257 390 D C -1.086 175.192 176.300 -0.037 0.000 1.217 390 D CA -1.435 52.542 54.000 -0.039 0.000 0.897 390 D CB 1.204 41.972 40.800 -0.053 0.000 1.132 390 D HN -0.119 nan 8.370 nan 0.000 0.493 391 P HA -0.191 nan 4.420 nan 0.000 0.215 391 P C 1.156 178.399 177.300 -0.096 0.000 1.157 391 P CA 1.321 64.369 63.100 -0.087 0.000 0.868 391 P CB 0.069 31.710 31.700 -0.098 0.000 0.788 392 T N -0.946 113.571 114.554 -0.063 0.000 2.746 392 T HA -0.162 4.211 4.350 0.039 0.000 0.267 392 T C 1.751 176.404 174.700 -0.079 0.000 1.039 392 T CA 1.709 63.763 62.100 -0.077 0.000 1.142 392 T CB -1.031 67.798 68.868 -0.065 0.000 0.866 392 T HN 0.271 nan 8.240 nan 0.000 0.444 393 H N 0.649 119.643 119.070 -0.127 0.000 2.353 393 H HA 0.132 4.707 4.556 0.031 0.000 0.300 393 H C 2.128 177.335 175.328 -0.203 0.000 1.090 393 H CA 1.030 56.998 56.048 -0.133 0.000 1.327 393 H CB -0.438 29.242 29.762 -0.137 0.000 1.383 393 H HN 0.209 nan 8.280 nan 0.000 0.508 394 L N -0.008 121.130 121.223 -0.143 0.000 2.131 394 L HA -0.156 4.207 4.340 0.039 0.000 0.210 394 L C 2.731 179.474 176.870 -0.211 0.000 1.092 394 L CA 1.021 55.633 54.840 -0.381 0.000 0.759 394 L CB -0.273 41.605 42.059 -0.301 0.000 0.903 394 L HN 0.249 nan 8.230 nan 0.000 0.435 395 R N 0.558 121.019 120.500 -0.065 0.000 2.057 395 R HA -0.154 4.209 4.340 0.039 0.000 0.229 395 R C 1.619 178.032 176.300 0.188 0.000 1.136 395 R CA 1.888 58.050 56.100 0.103 0.000 0.952 395 R CB -0.317 29.906 30.300 -0.127 0.000 0.848 395 R HN 0.262 nan 8.270 nan 0.000 0.430 396 D N 0.601 121.054 120.400 0.089 0.000 2.218 396 D HA -0.092 4.572 4.640 0.039 0.000 0.204 396 D C 1.624 178.001 176.300 0.128 0.000 0.976 396 D CA 1.340 55.417 54.000 0.128 0.000 0.853 396 D CB -0.083 40.742 40.800 0.040 0.000 0.939 396 D HN 0.394 nan 8.370 nan 0.000 0.481 397 A N 0.351 123.200 122.820 0.048 0.000 1.897 397 A HA -0.092 4.252 4.320 0.039 0.000 0.215 397 A C 2.110 179.785 177.584 0.150 0.000 1.181 397 A CA 1.201 53.289 52.037 0.086 0.000 0.620 397 A CB -0.421 18.493 19.000 -0.142 0.000 0.821 397 A HN 0.156 nan 8.150 nan 0.000 0.443 398 M N 0.105 119.827 119.600 0.203 0.000 2.159 398 M HA -0.101 4.402 4.480 0.039 0.000 0.263 398 M C 2.259 178.627 176.300 0.112 0.000 1.063 398 M CA 2.122 57.598 55.300 0.294 0.000 1.110 398 M CB -0.491 32.316 32.600 0.346 0.000 1.374 398 M HN 0.410 nan 8.290 nan 0.000 0.411 399 S N -0.246 115.539 115.700 0.142 0.000 2.356 399 S HA -0.100 4.394 4.470 0.039 0.000 0.223 399 S C 2.084 176.772 174.600 0.147 0.000 1.032 399 S CA 1.569 59.864 58.200 0.159 0.000 1.005 399 S CB -0.662 62.695 63.200 0.261 0.000 0.867 399 S HN 0.639 nan 8.310 nan 0.000 0.449 400 A N 0.944 123.867 122.820 0.171 0.000 1.908 400 A HA -0.024 4.320 4.320 0.039 0.000 0.218 400 A C 2.388 180.043 177.584 0.119 0.000 1.181 400 A CA 1.895 54.066 52.037 0.224 0.000 0.627 400 A CB -1.210 18.025 19.000 0.391 0.000 0.818 400 A HN 0.477 nan 8.150 nan 0.000 0.445 401 V N -0.461 119.361 119.914 -0.153 0.000 2.287 401 V HA -0.255 3.889 4.120 0.039 0.000 0.248 401 V C 2.580 178.651 176.094 -0.037 0.000 1.053 401 V CA 2.138 64.285 62.300 -0.254 0.000 1.027 401 V CB -0.734 30.927 31.823 -0.270 0.000 0.646 401 V HN 0.390 nan 8.190 nan 0.000 0.447 402 V N 0.607 120.509 119.914 -0.019 0.000 2.307 402 V HA -0.130 4.013 4.120 0.039 0.000 0.245 402 V C 2.611 178.641 176.094 -0.106 0.000 1.045 402 V CA 2.119 64.395 62.300 -0.040 0.000 1.024 402 V CB -1.275 30.561 31.823 0.023 0.000 0.651 402 V HN 0.611 nan 8.190 nan 0.000 0.449 403 G N -0.489 108.311 108.800 -0.001 0.000 2.408 403 G HA2 -0.215 3.769 3.960 0.039 0.000 0.217 403 G HA3 -0.215 3.769 3.960 0.039 0.000 0.217 403 G C 1.218 176.075 174.900 -0.071 0.000 1.150 403 G CA 0.967 46.071 45.100 0.006 0.000 0.776 403 G HN 0.504 nan 8.290 nan 0.000 0.542 404 D N -0.336 120.036 120.400 -0.046 0.000 2.120 404 D HA -0.045 4.619 4.640 0.039 0.000 0.202 404 D C 2.088 178.091 176.300 -0.495 0.000 0.972 404 D CA 1.081 55.020 54.000 -0.100 0.000 0.837 404 D CB -0.480 40.457 40.800 0.228 0.000 0.989 404 D HN 0.378 nan 8.370 nan 0.000 0.469 405 H N 1.170 119.672 119.070 -0.947 0.000 2.353 405 H HA -0.013 4.566 4.556 0.039 0.000 0.300 405 H C 1.489 176.388 175.328 -0.716 0.000 1.090 405 H CA 1.761 57.010 56.048 -1.332 0.000 1.327 405 H CB 0.052 29.015 29.762 -1.331 0.000 1.383 405 H HN -0.010 nan 8.280 nan 0.000 0.508 406 N N -0.852 117.398 118.700 -0.750 0.000 2.368 406 N HA -0.009 4.755 4.740 0.039 0.000 0.176 406 N C 1.389 176.646 175.510 -0.422 0.000 1.021 406 N CA 1.192 53.745 53.050 -0.828 0.000 0.888 406 N CB 0.827 38.298 38.487 -1.693 0.000 0.995 406 N HN 0.290 nan 8.380 nan 0.000 0.437 407 V N -0.349 119.389 119.914 -0.294 0.000 3.278 407 V HA 0.054 4.198 4.120 0.039 0.000 0.215 407 V C 2.222 178.276 176.094 -0.067 0.000 1.287 407 V CA 0.207 62.464 62.300 -0.071 0.000 1.302 407 V CB -0.202 31.660 31.823 0.065 0.000 1.228 407 V HN -0.169 nan 8.190 nan 0.000 0.523 408 V N 0.159 120.039 119.914 -0.056 0.000 2.252 408 V HA -0.333 3.811 4.120 0.039 0.000 0.249 408 V C 2.504 178.560 176.094 -0.063 0.000 1.056 408 V CA 2.697 64.973 62.300 -0.040 0.000 1.022 408 V CB -0.886 30.946 31.823 0.016 0.000 0.641 408 V HN 0.671 nan 8.190 nan 0.000 0.445 409 c N -0.564 117.985 118.600 -0.086 0.000 2.457 409 c HA 0.010 4.604 4.570 0.039 0.000 0.278 409 c C 0.533 174.575 174.090 -0.080 0.000 1.309 409 c CA 0.886 57.186 56.329 -0.048 0.000 1.735 409 c CB -1.702 40.794 42.510 -0.024 0.000 1.992 409 c HN 0.452 nan 8.230 nan 0.000 0.493 410 P HA -0.038 nan 4.420 nan 0.000 0.219 410 P C 1.748 178.976 177.300 -0.120 0.000 1.150 410 P CA 1.194 64.209 63.100 -0.142 0.000 0.814 410 P CB -0.077 31.506 31.700 -0.194 0.000 0.787 411 V N 0.064 119.911 119.914 -0.112 0.000 2.379 411 V HA -0.212 3.931 4.120 0.039 0.000 0.245 411 V C 2.397 178.391 176.094 -0.167 0.000 1.044 411 V CA 2.163 64.383 62.300 -0.134 0.000 1.036 411 V CB -1.590 30.154 31.823 -0.131 0.000 0.664 411 V HN 0.080 nan 8.190 nan 0.000 0.453 412 A N -0.293 122.448 122.820 -0.131 0.000 1.908 412 A HA -0.332 4.012 4.320 0.039 0.000 0.218 412 A C 2.182 179.728 177.584 -0.064 0.000 1.181 412 A CA 2.334 54.305 52.037 -0.110 0.000 0.627 412 A CB -0.550 18.438 19.000 -0.019 0.000 0.818 412 A HN 0.599 nan 8.150 nan 0.000 0.445 413 Q N -0.642 119.131 119.800 -0.046 0.000 2.050 413 Q HA -0.150 4.214 4.340 0.039 0.000 0.202 413 Q C 1.885 177.857 176.000 -0.047 0.000 0.980 413 Q CA 1.935 57.724 55.803 -0.023 0.000 0.840 413 Q CB -0.423 28.297 28.738 -0.030 0.000 0.898 413 Q HN 0.534 nan 8.270 nan 0.000 0.424 414 L N 0.113 121.278 121.223 -0.097 0.000 2.056 414 L HA 0.030 4.394 4.340 0.039 0.000 0.207 414 L C 2.182 178.967 176.870 -0.141 0.000 1.078 414 L CA 2.058 56.825 54.840 -0.121 0.000 0.749 414 L CB -0.977 40.993 42.059 -0.147 0.000 0.901 414 L HN 0.292 nan 8.230 nan 0.000 0.433 415 A N -0.277 122.417 122.820 -0.210 0.000 1.865 415 A HA -0.143 4.200 4.320 0.039 0.000 0.217 415 A C 2.352 179.903 177.584 -0.056 0.000 1.191 415 A CA 1.847 53.695 52.037 -0.315 0.000 0.623 415 A CB -1.735 16.771 19.000 -0.823 0.000 0.826 415 A HN 0.539 nan 8.150 nan 0.000 0.444 416 G N -0.639 108.200 108.800 0.065 0.000 2.446 416 G HA2 -0.240 3.743 3.960 0.039 0.000 0.217 416 G HA3 -0.240 3.743 3.960 0.039 0.000 0.217 416 G C 1.669 176.642 174.900 0.122 0.000 1.168 416 G CA 0.950 46.173 45.100 0.206 0.000 0.771 416 G HN 0.422 nan 8.290 nan 0.000 0.551 417 R N 0.317 120.858 120.500 0.067 0.000 2.075 417 R HA 0.097 4.460 4.340 0.039 0.000 0.232 417 R C 2.694 179.060 176.300 0.110 0.000 1.126 417 R CA 0.600 56.753 56.100 0.088 0.000 0.963 417 R CB -1.257 29.093 30.300 0.083 0.000 0.858 417 R HN 0.421 nan 8.270 nan 0.000 0.435 418 L N 0.417 121.643 121.223 0.004 0.000 2.046 418 L HA -0.124 4.240 4.340 0.039 0.000 0.208 418 L C 2.642 179.567 176.870 0.091 0.000 1.077 418 L CA 1.486 56.303 54.840 -0.038 0.000 0.747 418 L CB -0.722 41.200 42.059 -0.228 0.000 0.896 418 L HN 0.145 nan 8.230 nan 0.000 0.432 419 A N 0.077 122.954 122.820 0.097 0.000 1.898 419 A HA -0.126 4.217 4.320 0.039 0.000 0.216 419 A C 2.520 180.168 177.584 0.105 0.000 1.181 419 A CA 1.645 53.753 52.037 0.119 0.000 0.620 419 A CB -0.711 18.407 19.000 0.197 0.000 0.819 419 A HN 0.387 nan 8.150 nan 0.000 0.442 420 A N -0.995 121.891 122.820 0.111 0.000 2.015 420 A HA -0.105 4.238 4.320 0.039 0.000 0.219 420 A C 1.738 179.380 177.584 0.097 0.000 1.163 420 A CA 1.411 53.502 52.037 0.090 0.000 0.646 420 A CB -0.306 18.745 19.000 0.086 0.000 0.806 420 A HN 0.627 nan 8.150 nan 0.000 0.448 421 Q N -1.479 118.409 119.800 0.148 0.000 2.268 421 Q HA 0.400 4.764 4.340 0.039 0.000 0.289 421 Q C 0.815 176.910 176.000 0.159 0.000 0.893 421 Q CA 0.278 56.174 55.803 0.155 0.000 1.057 421 Q CB 0.336 29.201 28.738 0.213 0.000 1.173 421 Q HN 0.751 nan 8.270 nan 0.000 0.449 422 G N -0.140 108.732 108.800 0.121 0.000 2.217 422 G HA2 -0.298 3.686 3.960 0.039 0.000 0.246 422 G HA3 -0.298 3.686 3.960 0.039 0.000 0.246 422 G C 0.331 175.301 174.900 0.117 0.000 0.990 422 G CA -0.128 45.033 45.100 0.102 0.000 0.627 422 G HN 0.571 nan 8.290 nan 0.000 0.522 423 A N 0.025 122.934 122.820 0.149 0.000 2.304 423 A HA 0.752 5.095 4.320 0.039 0.000 0.271 423 A C 0.640 178.263 177.584 0.065 0.000 1.091 423 A CA 0.413 52.520 52.037 0.116 0.000 0.812 423 A CB 0.427 19.483 19.000 0.093 0.000 1.056 423 A HN 0.780 nan 8.150 nan 0.000 0.489 424 R N 1.358 121.895 120.500 0.061 0.000 2.202 424 R HA 0.513 4.876 4.340 0.039 0.000 0.334 424 R C -1.525 174.774 176.300 -0.002 0.000 1.036 424 R CA -0.149 55.960 56.100 0.015 0.000 0.878 424 R CB 0.420 30.765 30.300 0.074 0.000 1.067 424 R HN 0.465 nan 8.270 nan 0.000 0.457 425 V N 5.564 125.404 119.914 -0.124 0.000 2.604 425 V HA 0.440 4.584 4.120 0.039 0.000 0.305 425 V C -1.148 174.771 176.094 -0.291 0.000 1.043 425 V CA -0.806 61.433 62.300 -0.102 0.000 0.888 425 V CB 1.630 33.453 31.823 -0.001 0.000 0.995 425 V HN 0.660 nan 8.190 nan 0.000 0.429 426 Y N 1.872 122.132 120.300 -0.067 0.000 2.425 426 Y HA 0.803 5.376 4.550 0.039 0.000 0.344 426 Y C 0.274 176.231 175.900 0.095 0.000 0.969 426 Y CA -0.524 57.538 58.100 -0.063 0.000 1.052 426 Y CB 2.300 40.390 38.460 -0.616 0.000 1.215 426 Y HN 0.796 nan 8.280 nan 0.000 0.451 427 A N 2.926 126.091 122.820 0.575 0.000 2.413 427 A HA 0.896 5.240 4.320 0.039 0.000 0.307 427 A C -1.835 176.121 177.584 0.620 0.000 1.087 427 A CA -0.677 51.590 52.037 0.383 0.000 0.750 427 A CB 1.250 20.300 19.000 0.083 0.000 1.296 427 A HN 0.761 nan 8.150 nan 0.000 0.423 428 Y N -0.984 119.557 120.300 0.400 0.000 2.655 428 Y HA 0.809 5.382 4.550 0.038 0.000 0.336 428 Y C -1.262 174.820 175.900 0.303 0.000 1.154 428 Y CA -1.690 56.603 58.100 0.321 0.000 1.055 428 Y CB 1.329 39.963 38.460 0.290 0.000 1.295 428 Y HN 0.705 nan 8.280 nan 0.000 0.465 429 I N 2.625 123.528 120.570 0.555 0.000 2.512 429 I HA 0.419 4.613 4.170 0.039 0.000 0.287 429 I C -1.955 174.511 176.117 0.581 0.000 1.069 429 I CA -0.919 60.661 61.300 0.468 0.000 1.056 429 I CB 1.101 39.319 38.000 0.364 0.000 1.229 429 I HN 0.717 nan 8.210 nan 0.000 0.429 430 F N 7.378 127.631 119.950 0.505 0.000 2.411 430 F HA 0.394 4.945 4.527 0.040 0.000 0.355 430 F C 0.621 176.584 175.800 0.273 0.000 1.117 430 F CA 0.184 58.413 58.000 0.381 0.000 1.139 430 F CB 0.921 40.155 39.000 0.390 0.000 1.120 430 F HN 0.530 nan 8.300 nan 0.000 0.493 431 E N 2.850 122.958 120.200 -0.153 0.000 2.601 431 E HA -0.020 4.353 4.350 0.039 0.000 0.219 431 E C -0.741 175.777 176.600 -0.137 0.000 0.964 431 E CA -0.184 56.189 56.400 -0.044 0.000 1.050 431 E CB 0.262 29.953 29.700 -0.014 0.000 1.068 431 E HN 0.523 nan 8.360 nan 0.000 0.496 432 H N 1.856 120.611 119.070 -0.524 0.000 2.620 432 H HA 0.214 4.793 4.556 0.039 0.000 0.313 432 H C -0.357 174.976 175.328 0.008 0.000 1.075 432 H CA -0.396 55.422 56.048 -0.382 0.000 1.397 432 H CB 0.530 29.849 29.762 -0.738 0.000 1.446 432 H HN -0.144 nan 8.280 nan 0.000 0.493 433 R N 4.338 124.528 120.500 -0.516 0.000 2.202 433 R HA 0.479 4.842 4.340 0.039 0.000 0.334 433 R C -0.555 175.485 176.300 -0.434 0.000 1.036 433 R CA -0.647 55.292 56.100 -0.267 0.000 0.878 433 R CB 0.262 30.497 30.300 -0.107 0.000 1.067 433 R HN 0.832 nan 8.270 nan 0.000 0.457 434 A N 3.382 126.222 122.820 0.034 0.000 2.580 434 A HA -0.047 4.296 4.320 0.039 0.000 0.244 434 A C 1.393 179.088 177.584 0.186 0.000 1.045 434 A CA 0.711 52.976 52.037 0.380 0.000 0.761 434 A CB 0.167 19.513 19.000 0.576 0.000 0.962 434 A HN 1.045 nan 8.150 nan 0.000 0.512 435 S N 1.884 117.737 115.700 0.256 0.000 2.419 435 S HA -0.194 4.299 4.470 0.039 0.000 0.235 435 S C 1.443 176.060 174.600 0.028 0.000 1.019 435 S CA 1.755 60.031 58.200 0.127 0.000 0.982 435 S CB -0.919 62.375 63.200 0.156 0.000 0.789 435 S HN 1.335 nan 8.310 nan 0.000 0.490 436 T N -0.944 113.598 114.554 -0.021 0.000 3.129 436 T HA 0.335 4.709 4.350 0.039 0.000 0.251 436 T C 0.411 175.065 174.700 -0.077 0.000 1.117 436 T CA -0.505 61.518 62.100 -0.128 0.000 1.034 436 T CB -0.573 68.090 68.868 -0.340 0.000 0.968 436 T HN 0.211 nan 8.240 nan 0.000 0.526 437 L N 3.853 125.067 121.223 -0.015 0.000 2.525 437 L HA 0.183 4.546 4.340 0.039 0.000 0.278 437 L C 1.651 178.493 176.870 -0.048 0.000 1.218 437 L CA 0.921 55.739 54.840 -0.036 0.000 0.878 437 L CB 0.756 42.794 42.059 -0.035 0.000 1.127 437 L HN 0.462 nan 8.230 nan 0.000 0.492 438 T N -0.937 113.560 114.554 -0.095 0.000 3.040 438 T HA 0.118 4.491 4.350 0.039 0.000 0.250 438 T C 0.277 175.028 174.700 0.085 0.000 1.058 438 T CA -0.466 61.599 62.100 -0.059 0.000 0.988 438 T CB -0.260 68.480 68.868 -0.213 0.000 0.993 438 T HN 0.369 nan 8.240 nan 0.000 0.519 439 W N 3.462 124.792 121.300 0.050 0.000 2.237 439 W HA 0.447 5.130 4.660 0.039 0.000 0.335 439 W C -1.991 174.458 176.519 -0.117 0.000 1.230 439 W CA -2.274 55.087 57.345 0.025 0.000 1.253 439 W CB 0.308 29.701 29.460 -0.112 0.000 1.129 439 W HN -0.056 nan 8.180 nan 0.000 0.590 440 P HA -0.029 nan 4.420 nan 0.000 0.270 440 P C 0.581 177.826 177.300 -0.091 0.000 1.223 440 P CA 0.158 63.249 63.100 -0.016 0.000 0.785 440 P CB 0.958 32.679 31.700 0.035 0.000 0.923 441 L N 0.503 121.732 121.223 0.010 0.000 2.127 441 L HA -0.143 4.220 4.340 0.039 0.000 0.211 441 L C 2.607 179.512 176.870 0.058 0.000 1.089 441 L CA 1.475 56.332 54.840 0.029 0.000 0.757 441 L CB -0.913 41.190 42.059 0.072 0.000 0.899 441 L HN 0.623 nan 8.230 nan 0.000 0.434 442 W N -0.346 120.994 121.300 0.067 0.000 2.387 442 W HA -0.185 4.498 4.660 0.038 0.000 0.272 442 W C 1.688 178.263 176.519 0.092 0.000 1.224 442 W CA 0.582 57.969 57.345 0.071 0.000 1.210 442 W CB -0.814 28.688 29.460 0.071 0.000 1.125 442 W HN 0.204 nan 8.180 nan 0.000 0.572 443 M N 1.253 120.522 119.600 -0.552 0.000 2.562 443 M HA 0.127 4.630 4.480 0.039 0.000 0.257 443 M C 1.818 178.019 176.300 -0.164 0.000 1.099 443 M CA 1.399 56.350 55.300 -0.581 0.000 1.099 443 M CB -0.615 31.492 32.600 -0.822 0.000 1.427 443 M HN 0.190 nan 8.290 nan 0.000 0.489 444 G N 0.759 109.522 108.800 -0.061 0.000 2.591 444 G HA2 -0.291 3.693 3.960 0.039 0.000 0.298 444 G HA3 -0.291 3.693 3.960 0.039 0.000 0.298 444 G C -0.123 174.787 174.900 0.017 0.000 1.195 444 G CA -0.113 44.997 45.100 0.016 0.000 0.989 444 G HN 0.241 nan 8.290 nan 0.000 0.551 445 V N 3.632 123.599 119.914 0.088 0.000 2.277 445 V HA 0.471 4.615 4.120 0.039 0.000 0.269 445 V C -1.800 174.410 176.094 0.193 0.000 1.036 445 V CA -0.815 61.586 62.300 0.169 0.000 0.821 445 V CB 1.142 33.123 31.823 0.264 0.000 1.052 445 V HN 0.548 nan 8.190 nan 0.000 0.462 446 P HA 0.156 nan 4.420 nan 0.000 0.274 446 P C -0.224 177.263 177.300 0.311 0.000 1.246 446 P CA -0.471 62.724 63.100 0.159 0.000 0.795 446 P CB 0.369 32.029 31.700 -0.068 0.000 1.006 447 H N 0.568 119.683 119.070 0.076 0.000 3.157 447 H HA 0.241 4.820 4.556 0.039 0.000 0.299 447 H C 1.565 176.767 175.328 -0.211 0.000 0.961 447 H CA 2.324 58.363 56.048 -0.015 0.000 1.428 447 H CB -0.734 29.010 29.762 -0.031 0.000 1.459 447 H HN 0.748 nan 8.280 nan 0.000 0.566 448 G N 3.548 112.100 108.800 -0.414 0.000 2.234 448 G HA2 -0.322 3.661 3.960 0.039 0.000 0.235 448 G HA3 -0.322 3.661 3.960 0.039 0.000 0.235 448 G C 0.579 175.275 174.900 -0.340 0.000 0.997 448 G CA 0.342 45.152 45.100 -0.484 0.000 0.623 448 G HN 0.639 nan 8.290 nan 0.000 0.514 449 Y N 1.748 122.102 120.300 0.090 0.000 2.470 449 Y HA 0.259 4.832 4.550 0.040 0.000 0.302 449 Y C 2.277 178.258 175.900 0.134 0.000 1.194 449 Y CA 0.997 59.204 58.100 0.177 0.000 1.271 449 Y CB 0.359 38.960 38.460 0.235 0.000 1.092 449 Y HN 0.534 nan 8.280 nan 0.000 0.513 450 E N -0.173 119.959 120.200 -0.112 0.000 2.389 450 E HA -0.026 4.348 4.350 0.039 0.000 0.199 450 E C 1.602 178.054 176.600 -0.248 0.000 0.978 450 E CA 0.466 56.477 56.400 -0.648 0.000 0.912 450 E CB -0.424 28.497 29.700 -1.298 0.000 0.907 450 E HN 0.523 nan 8.360 nan 0.000 0.494 451 I N 3.074 123.588 120.570 -0.093 0.000 2.151 451 I HA -0.329 3.864 4.170 0.039 0.000 0.243 451 I C 2.732 178.814 176.117 -0.058 0.000 1.080 451 I CA 2.277 63.571 61.300 -0.010 0.000 1.339 451 I CB -0.531 37.532 38.000 0.105 0.000 1.039 451 I HN 0.222 nan 8.210 nan 0.000 0.409 452 E N 1.035 121.131 120.200 -0.173 0.000 2.209 452 E HA -0.246 4.128 4.350 0.039 0.000 0.196 452 E C 2.045 178.363 176.600 -0.469 0.000 0.993 452 E CA 1.540 57.738 56.400 -0.335 0.000 0.819 452 E CB -0.535 28.933 29.700 -0.387 0.000 0.745 452 E HN 0.449 nan 8.360 nan 0.000 0.477 453 F N 1.355 121.171 119.950 -0.223 0.000 2.187 453 F HA -0.021 4.530 4.527 0.040 0.000 0.295 453 F C 2.389 177.939 175.800 -0.415 0.000 1.091 453 F CA 0.578 58.389 58.000 -0.315 0.000 1.308 453 F CB -0.154 38.728 39.000 -0.196 0.000 1.030 453 F HN -0.029 nan 8.300 nan 0.000 0.487 454 I N -0.978 119.416 120.570 -0.294 0.000 2.286 454 I HA -0.276 3.917 4.170 0.039 0.000 0.248 454 I C 2.086 177.938 176.117 -0.441 0.000 1.115 454 I CA 1.651 62.609 61.300 -0.570 0.000 1.392 454 I CB -1.326 36.204 38.000 -0.782 0.000 1.065 454 I HN 0.091 nan 8.210 nan 0.000 0.418 455 F N 0.987 120.746 119.950 -0.320 0.000 2.661 455 F HA 0.173 4.723 4.527 0.039 0.000 0.298 455 F C 1.902 177.574 175.800 -0.214 0.000 1.137 455 F CA 0.905 58.768 58.000 -0.228 0.000 1.454 455 F CB -0.264 38.590 39.000 -0.244 0.000 1.103 455 F HN 0.289 nan 8.300 nan 0.000 0.577 456 G N -0.063 108.586 108.800 -0.252 0.000 2.137 456 G HA2 -0.291 3.692 3.960 0.039 0.000 0.237 456 G HA3 -0.291 3.692 3.960 0.039 0.000 0.237 456 G C 0.974 175.259 174.900 -1.026 0.000 1.002 456 G CA 0.298 45.115 45.100 -0.471 0.000 0.702 456 G HN 0.286 nan 8.290 nan 0.000 0.515 457 L N 0.462 121.150 121.223 -0.892 0.000 2.079 457 L HA 0.024 4.388 4.340 0.039 0.000 0.210 457 L C 0.453 176.837 176.870 -0.810 0.000 1.081 457 L CA 2.778 57.050 54.840 -0.946 0.000 0.752 457 L CB -0.958 40.834 42.059 -0.444 0.000 0.896 457 L HN 0.211 nan 8.230 nan 0.000 0.433 458 P HA -0.160 nan 4.420 nan 0.000 0.222 458 P C 1.456 178.570 177.300 -0.310 0.000 1.142 458 P CA 0.898 63.576 63.100 -0.703 0.000 0.788 458 P CB 0.033 31.258 31.700 -0.792 0.000 0.767 459 L N -1.360 119.591 121.223 -0.452 0.000 2.551 459 L HA -0.011 4.352 4.340 0.039 0.000 0.228 459 L C 0.850 177.665 176.870 -0.092 0.000 1.153 459 L CA 1.068 55.760 54.840 -0.246 0.000 0.851 459 L CB -1.141 40.780 42.059 -0.231 0.000 0.959 459 L HN -0.053 nan 8.230 nan 0.000 0.451 460 D N -0.253 120.075 120.400 -0.119 0.000 2.411 460 D HA 0.134 4.797 4.640 0.039 0.000 0.225 460 D C -1.655 174.684 176.300 0.064 0.000 1.156 460 D CA -2.294 51.761 54.000 0.092 0.000 0.874 460 D CB 1.494 42.406 40.800 0.187 0.000 1.034 460 D HN -0.058 nan 8.370 nan 0.000 0.502 461 P HA -0.180 nan 4.420 nan 0.000 0.217 461 P C 1.221 178.542 177.300 0.034 0.000 1.148 461 P CA 1.142 64.270 63.100 0.046 0.000 0.834 461 P CB 0.103 31.826 31.700 0.038 0.000 0.783 462 S N -1.472 114.247 115.700 0.032 0.000 2.555 462 S HA -0.023 4.470 4.470 0.039 0.000 0.230 462 S C 1.562 176.154 174.600 -0.014 0.000 0.978 462 S CA 0.598 58.802 58.200 0.008 0.000 0.934 462 S CB -1.312 61.894 63.200 0.009 0.000 0.766 462 S HN 0.126 nan 8.310 nan 0.000 0.533 463 L N 0.701 121.924 121.223 0.000 0.000 2.591 463 L HA 0.227 4.591 4.340 0.039 0.000 0.228 463 L C 0.079 176.840 176.870 -0.182 0.000 1.133 463 L CA -0.182 54.619 54.840 -0.066 0.000 0.880 463 L CB -0.696 41.379 42.059 0.028 0.000 1.033 463 L HN 0.204 nan 8.230 nan 0.000 0.450 464 N N -1.008 117.642 118.700 -0.084 0.000 2.758 464 N HA -0.233 4.530 4.740 0.039 0.000 0.248 464 N C -0.672 174.765 175.510 -0.121 0.000 1.076 464 N CA 0.845 53.838 53.050 -0.095 0.000 0.696 464 N CB -1.837 36.578 38.487 -0.121 0.000 0.979 464 N HN 0.288 nan 8.380 nan 0.000 0.550 465 Y N 0.507 120.803 120.300 -0.007 0.000 2.307 465 Y HA 0.272 4.845 4.550 0.038 0.000 0.324 465 Y C 1.806 177.737 175.900 0.052 0.000 1.238 465 Y CA -0.163 57.960 58.100 0.038 0.000 1.280 465 Y CB 0.682 39.161 38.460 0.031 0.000 1.248 465 Y HN 0.119 nan 8.280 nan 0.000 0.508 466 T N -2.632 112.080 114.554 0.263 0.000 2.856 466 T HA -0.028 4.346 4.350 0.039 0.000 0.306 466 T C 1.331 176.112 174.700 0.135 0.000 1.062 466 T CA 0.031 62.225 62.100 0.157 0.000 1.083 466 T CB 1.072 70.021 68.868 0.135 0.000 0.984 466 T HN 0.833 nan 8.240 nan 0.000 0.542 467 T N -0.029 114.573 114.554 0.080 0.000 2.881 467 T HA -0.099 4.274 4.350 0.039 0.000 0.270 467 T C 1.532 176.259 174.700 0.045 0.000 1.068 467 T CA 1.741 63.875 62.100 0.056 0.000 1.131 467 T CB -0.554 68.334 68.868 0.034 0.000 0.871 467 T HN 0.767 nan 8.240 nan 0.000 0.479 468 E N 0.803 121.025 120.200 0.035 0.000 2.107 468 E HA -0.028 4.346 4.350 0.039 0.000 0.191 468 E C 2.315 178.923 176.600 0.014 0.000 0.982 468 E CA 1.169 57.565 56.400 -0.007 0.000 0.809 468 E CB -0.100 29.566 29.700 -0.057 0.000 0.756 468 E HN 0.657 nan 8.360 nan 0.000 0.459 469 E N 0.319 120.571 120.200 0.087 0.000 2.153 469 E HA -0.160 4.213 4.350 0.039 0.000 0.194 469 E C 2.084 178.799 176.600 0.192 0.000 0.988 469 E CA 0.481 57.015 56.400 0.223 0.000 0.811 469 E CB 0.013 29.989 29.700 0.460 0.000 0.746 469 E HN 0.026 nan 8.360 nan 0.000 0.466 470 R N 1.029 121.586 120.500 0.095 0.000 2.092 470 R HA -0.094 4.270 4.340 0.039 0.000 0.231 470 R C 2.050 178.358 176.300 0.013 0.000 1.119 470 R CA 0.944 57.052 56.100 0.013 0.000 0.970 470 R CB -0.196 30.110 30.300 0.010 0.000 0.864 470 R HN 0.219 nan 8.270 nan 0.000 0.440 471 I N 0.275 120.869 120.570 0.039 0.000 2.353 471 I HA -0.234 3.959 4.170 0.039 0.000 0.248 471 I C 2.176 178.333 176.117 0.067 0.000 1.119 471 I CA 0.644 61.961 61.300 0.028 0.000 1.417 471 I CB -0.352 37.660 38.000 0.019 0.000 1.078 471 I HN 0.060 nan 8.210 nan 0.000 0.421 472 F N 2.122 122.010 119.950 -0.103 0.000 2.069 472 F HA -0.274 4.277 4.527 0.041 0.000 0.298 472 F C 2.491 178.244 175.800 -0.078 0.000 1.113 472 F CA 1.466 59.386 58.000 -0.133 0.000 1.214 472 F CB -0.854 37.994 39.000 -0.252 0.000 0.978 472 F HN 0.037 nan 8.300 nan 0.000 0.474 473 A N -0.040 122.732 122.820 -0.080 0.000 1.908 473 A HA -0.269 4.074 4.320 0.039 0.000 0.218 473 A C 2.161 179.615 177.584 -0.217 0.000 1.181 473 A CA 1.963 53.879 52.037 -0.202 0.000 0.627 473 A CB -0.959 17.953 19.000 -0.148 0.000 0.818 473 A HN 0.647 nan 8.150 nan 0.000 0.445 474 Q N -0.903 118.813 119.800 -0.141 0.000 2.124 474 Q HA -0.164 4.200 4.340 0.039 0.000 0.202 474 Q C 2.379 178.273 176.000 -0.177 0.000 0.977 474 Q CA 1.457 57.181 55.803 -0.131 0.000 0.850 474 Q CB -0.164 28.527 28.738 -0.079 0.000 0.901 474 Q HN 0.639 nan 8.270 nan 0.000 0.429 475 R N 0.302 120.684 120.500 -0.196 0.000 2.073 475 R HA -0.121 4.242 4.340 0.039 0.000 0.234 475 R C 2.342 178.340 176.300 -0.503 0.000 1.134 475 R CA 1.231 57.133 56.100 -0.330 0.000 0.952 475 R CB -0.369 29.816 30.300 -0.193 0.000 0.850 475 R HN 0.240 nan 8.270 nan 0.000 0.433 476 L N 0.139 121.149 121.223 -0.354 0.000 2.046 476 L HA -0.193 4.171 4.340 0.039 0.000 0.208 476 L C 2.555 179.340 176.870 -0.141 0.000 1.077 476 L CA 1.381 56.094 54.840 -0.212 0.000 0.747 476 L CB -0.389 41.394 42.059 -0.459 0.000 0.896 476 L HN 0.253 nan 8.230 nan 0.000 0.432 477 M N -0.832 118.639 119.600 -0.213 0.000 2.213 477 M HA -0.189 4.314 4.480 0.039 0.000 0.263 477 M C 2.285 178.570 176.300 -0.025 0.000 1.062 477 M CA 1.475 56.690 55.300 -0.142 0.000 1.105 477 M CB -0.268 32.244 32.600 -0.147 0.000 1.385 477 M HN 0.088 nan 8.290 nan 0.000 0.417 478 K N -0.222 120.132 120.400 -0.078 0.000 2.031 478 K HA -0.108 4.236 4.320 0.039 0.000 0.205 478 K C 1.896 178.553 176.600 0.095 0.000 1.049 478 K CA 1.532 57.791 56.287 -0.048 0.000 0.939 478 K CB -0.296 32.110 32.500 -0.156 0.000 0.717 478 K HN 0.297 nan 8.250 nan 0.000 0.438 479 Y N -0.080 120.349 120.300 0.216 0.000 2.097 479 Y HA -0.237 4.337 4.550 0.039 0.000 0.282 479 Y C 2.442 178.489 175.900 0.246 0.000 1.152 479 Y CA 0.817 59.078 58.100 0.269 0.000 1.136 479 Y CB -0.920 37.847 38.460 0.511 0.000 0.975 479 Y HN 0.218 nan 8.280 nan 0.000 0.498 480 W N 0.572 121.948 121.300 0.126 0.000 2.355 480 W HA -0.236 4.447 4.660 0.038 0.000 0.309 480 W C 2.472 178.991 176.519 0.000 0.000 1.206 480 W CA 2.127 59.482 57.345 0.016 0.000 1.284 480 W CB -0.657 28.729 29.460 -0.124 0.000 1.145 480 W HN 0.232 nan 8.180 nan 0.000 0.502 481 T N -2.259 112.407 114.554 0.188 0.000 2.904 481 T HA -0.121 4.252 4.350 0.039 0.000 0.267 481 T C 1.411 176.140 174.700 0.048 0.000 1.059 481 T CA 1.074 63.214 62.100 0.067 0.000 1.137 481 T CB -0.566 68.318 68.868 0.027 0.000 0.879 481 T HN -0.054 nan 8.240 nan 0.000 0.467 482 N N 0.905 119.653 118.700 0.080 0.000 2.142 482 N HA 0.014 4.778 4.740 0.039 0.000 0.186 482 N C 1.396 176.900 175.510 -0.010 0.000 1.023 482 N CA 0.917 53.989 53.050 0.037 0.000 0.852 482 N CB -0.626 37.903 38.487 0.070 0.000 0.998 482 N HN 0.453 nan 8.380 nan 0.000 0.424 483 F N 1.832 121.699 119.950 -0.139 0.000 2.134 483 F HA -0.100 4.451 4.527 0.040 0.000 0.299 483 F C 2.178 177.894 175.800 -0.141 0.000 1.097 483 F CA 1.329 59.191 58.000 -0.230 0.000 1.264 483 F CB -0.408 38.362 39.000 -0.383 0.000 1.001 483 F HN 0.027 nan 8.300 nan 0.000 0.479 484 A N 0.485 123.218 122.820 -0.144 0.000 1.902 484 A HA -0.171 4.173 4.320 0.039 0.000 0.217 484 A C 2.352 179.826 177.584 -0.184 0.000 1.181 484 A CA 1.679 53.609 52.037 -0.178 0.000 0.623 484 A CB -0.686 18.284 19.000 -0.050 0.000 0.818 484 A HN 0.452 nan 8.150 nan 0.000 0.443 485 R N -1.120 119.303 120.500 -0.128 0.000 2.092 485 R HA -0.071 4.293 4.340 0.039 0.000 0.231 485 R C 1.897 178.114 176.300 -0.139 0.000 1.119 485 R CA 1.816 57.854 56.100 -0.102 0.000 0.970 485 R CB -0.169 30.097 30.300 -0.058 0.000 0.864 485 R HN 0.728 nan 8.270 nan 0.000 0.440 486 T N -5.737 108.704 114.554 -0.187 0.000 3.016 486 T HA 0.252 4.626 4.350 0.039 0.000 0.271 486 T C 1.144 175.699 174.700 -0.242 0.000 0.968 486 T CA 0.362 62.358 62.100 -0.173 0.000 0.891 486 T CB 1.394 70.201 68.868 -0.103 0.000 1.149 486 T HN 0.311 nan 8.240 nan 0.000 0.524 487 G N 1.241 109.749 108.800 -0.486 0.000 2.159 487 G HA2 -0.170 3.813 3.960 0.039 0.000 0.256 487 G HA3 -0.170 3.813 3.960 0.039 0.000 0.256 487 G C -0.359 174.436 174.900 -0.175 0.000 0.977 487 G CA 0.193 44.940 45.100 -0.589 0.000 0.652 487 G HN 0.788 nan 8.290 nan 0.000 0.531 488 D N -0.457 119.845 120.400 -0.164 0.000 2.788 488 D HA 0.461 5.124 4.640 0.039 0.000 0.247 488 D C -1.384 174.761 176.300 -0.258 0.000 1.236 488 D CA -1.620 52.249 54.000 -0.218 0.000 0.898 488 D CB 2.247 43.012 40.800 -0.059 0.000 1.401 488 D HN 0.011 nan 8.370 nan 0.000 0.549 489 P HA -0.035 nan 4.420 nan 0.000 0.233 489 P C -0.037 177.277 177.300 0.022 0.000 1.167 489 P CA 0.090 63.009 63.100 -0.303 0.000 0.770 489 P CB 0.426 31.622 31.700 -0.841 0.000 0.837 490 N N 1.626 120.313 118.700 -0.021 0.000 2.530 490 N HA 0.023 4.786 4.740 0.039 0.000 0.273 490 N C 0.094 175.676 175.510 0.121 0.000 1.173 490 N CA 0.169 53.303 53.050 0.140 0.000 0.967 490 N CB 0.507 39.068 38.487 0.123 0.000 1.109 490 N HN 0.010 nan 8.380 nan 0.000 0.453 491 D N 2.038 122.528 120.400 0.149 0.000 2.382 491 D HA 0.062 4.726 4.640 0.039 0.000 0.259 491 D C -1.311 175.031 176.300 0.070 0.000 1.224 491 D CA -1.415 52.642 54.000 0.094 0.000 0.894 491 D CB 1.054 41.907 40.800 0.087 0.000 1.127 491 D HN 0.283 nan 8.370 nan 0.000 0.487 492 P HA -0.113 nan 4.420 nan 0.000 0.217 492 P C 0.176 177.497 177.300 0.035 0.000 1.148 492 P CA 1.201 64.323 63.100 0.036 0.000 0.828 492 P CB 0.266 31.979 31.700 0.022 0.000 0.783 493 R N 0.326 120.847 120.500 0.035 0.000 2.443 493 R HA 0.587 4.951 4.340 0.039 0.000 0.287 493 R C -1.089 175.233 176.300 0.037 0.000 1.425 493 R CA -0.443 55.676 56.100 0.032 0.000 1.300 493 R CB -0.869 29.446 30.300 0.024 0.000 1.129 493 R HN 0.179 nan 8.270 nan 0.000 0.577 494 D N 0.200 120.627 120.400 0.044 0.000 2.087 494 D HA 0.068 4.732 4.640 0.039 0.000 0.161 494 D C -0.791 175.542 176.300 0.056 0.000 1.196 494 D CA 0.094 54.123 54.000 0.048 0.000 0.916 494 D CB 1.217 42.051 40.800 0.055 0.000 2.216 494 D HN 0.436 nan 8.370 nan 0.000 0.512 495 S N 3.325 119.054 115.700 0.047 0.000 2.652 495 S HA 0.725 5.219 4.470 0.039 0.000 0.270 495 S C -0.312 174.319 174.600 0.050 0.000 1.243 495 S CA -0.074 58.155 58.200 0.049 0.000 0.999 495 S CB 0.888 64.111 63.200 0.039 0.000 0.973 495 S HN 0.732 nan 8.310 nan 0.000 0.544 496 K N 0.687 121.118 120.400 0.051 0.000 7.314 496 K HA -0.148 4.196 4.320 0.039 0.000 0.694 496 K C -0.027 176.611 176.600 0.064 0.000 2.568 496 K CA 1.172 57.489 56.287 0.050 0.000 1.889 496 K CB -1.296 31.227 32.500 0.039 0.000 2.060 496 K HN 0.825 nan 8.250 nan 0.000 0.284 497 S N 1.852 117.595 115.700 0.072 0.000 5.084 497 S HA 0.379 4.873 4.470 0.039 0.000 0.156 497 S C -2.149 172.504 174.600 0.088 0.000 1.073 497 S CA -0.063 58.196 58.200 0.097 0.000 1.336 497 S CB -0.492 62.785 63.200 0.130 0.000 1.919 497 S HN 0.688 nan 8.310 nan 0.000 0.624 498 P HA 0.437 nan 4.420 nan 0.000 0.279 498 P C -1.004 176.369 177.300 0.122 0.000 1.282 498 P CA -0.228 62.921 63.100 0.082 0.000 0.788 498 P CB 0.382 32.113 31.700 0.052 0.000 1.139 499 Q N -0.669 119.209 119.800 0.131 0.000 2.299 499 Q HA 0.126 4.490 4.340 0.039 0.000 0.246 499 Q C -0.536 175.613 176.000 0.247 0.000 0.935 499 Q CA 0.056 55.972 55.803 0.189 0.000 0.887 499 Q CB 0.711 29.550 28.738 0.169 0.000 1.223 499 Q HN 0.543 nan 8.270 nan 0.000 0.439 500 W N 6.212 127.563 121.300 0.084 0.000 2.357 500 W HA 0.292 4.977 4.660 0.041 0.000 0.317 500 W C -2.467 174.184 176.519 0.220 0.000 1.101 500 W CA -2.399 55.004 57.345 0.096 0.000 1.380 500 W CB 0.403 29.857 29.460 -0.009 0.000 1.266 500 W HN 0.386 nan 8.180 nan 0.000 0.419 501 P HA 0.319 nan 4.420 nan 0.000 0.284 501 P C -2.665 174.831 177.300 0.325 0.000 1.258 501 P CA -1.881 61.448 63.100 0.380 0.000 0.824 501 P CB 1.306 33.133 31.700 0.211 0.000 1.038 502 P HA 0.054 nan 4.420 nan 0.000 0.269 502 P C -0.640 176.634 177.300 -0.044 0.000 1.209 502 P CA 0.285 63.172 63.100 -0.355 0.000 0.776 502 P CB 0.032 31.536 31.700 -0.327 0.000 0.876 503 Y N 2.672 122.893 120.300 -0.132 0.000 2.319 503 Y HA 0.443 5.016 4.550 0.038 0.000 0.328 503 Y C 0.249 176.133 175.900 -0.026 0.000 1.133 503 Y CA 0.423 58.526 58.100 0.006 0.000 1.265 503 Y CB 0.577 39.060 38.460 0.039 0.000 1.218 503 Y HN 0.438 nan 8.280 nan 0.000 0.508 504 T N 0.063 114.332 114.554 -0.475 0.000 2.883 504 T HA 0.238 4.611 4.350 0.039 0.000 0.301 504 T C 0.705 175.182 174.700 -0.371 0.000 1.158 504 T CA -0.223 61.724 62.100 -0.254 0.000 1.007 504 T CB 1.170 69.956 68.868 -0.137 0.000 1.186 504 T HN 0.654 nan 8.240 nan 0.000 0.499 505 T N -0.485 113.990 114.554 -0.131 0.000 2.867 505 T HA 0.045 4.418 4.350 0.039 0.000 0.268 505 T C 2.204 176.852 174.700 -0.087 0.000 1.057 505 T CA 0.977 63.031 62.100 -0.076 0.000 1.136 505 T CB -0.762 68.116 68.868 0.018 0.000 0.874 505 T HN 0.898 nan 8.240 nan 0.000 0.466 506 A N 2.220 124.991 122.820 -0.081 0.000 1.825 506 A HA 0.428 4.772 4.320 0.039 0.000 0.214 506 A C 2.761 180.300 177.584 -0.074 0.000 1.206 506 A CA 1.693 53.696 52.037 -0.056 0.000 0.609 506 A CB -1.410 17.567 19.000 -0.039 0.000 0.851 506 A HN 0.704 nan 8.150 nan 0.000 0.445 507 A N -2.085 120.673 122.820 -0.102 0.000 2.123 507 A HA 0.173 4.516 4.320 0.039 0.000 0.214 507 A C 1.020 178.527 177.584 -0.128 0.000 1.152 507 A CA 0.983 52.968 52.037 -0.088 0.000 0.728 507 A CB -0.444 18.520 19.000 -0.061 0.000 0.814 507 A HN 0.622 nan 8.150 nan 0.000 0.464 508 Q N -0.448 119.164 119.800 -0.313 0.000 2.434 508 Q HA -0.236 4.128 4.340 0.039 0.000 0.299 508 Q C -0.680 175.276 176.000 -0.073 0.000 1.286 508 Q CA 0.728 56.253 55.803 -0.463 0.000 0.872 508 Q CB -1.684 26.977 28.738 -0.130 0.000 1.193 508 Q HN 0.843 nan 8.270 nan 0.000 0.466 509 Q N 0.307 120.079 119.800 -0.046 0.000 2.293 509 Q HA 0.476 4.839 4.340 0.039 0.000 0.251 509 Q C -0.387 175.869 176.000 0.426 0.000 0.930 509 Q CA 0.004 55.899 55.803 0.154 0.000 0.893 509 Q CB 0.597 29.379 28.738 0.074 0.000 1.215 509 Q HN 0.339 nan 8.270 nan 0.000 0.425 510 Y N -1.804 118.617 120.300 0.201 0.000 2.638 510 Y HA 0.697 5.270 4.550 0.038 0.000 0.335 510 Y C -1.211 174.701 175.900 0.020 0.000 1.155 510 Y CA -1.553 56.675 58.100 0.214 0.000 1.046 510 Y CB 0.540 39.140 38.460 0.234 0.000 1.303 510 Y HN 0.368 nan 8.280 nan 0.000 0.460 511 V N -0.220 119.596 119.914 -0.163 0.000 2.815 511 V HA 0.864 5.007 4.120 0.039 0.000 0.314 511 V C -0.238 175.746 176.094 -0.183 0.000 1.064 511 V CA -0.526 61.532 62.300 -0.404 0.000 0.952 511 V CB 1.319 32.634 31.823 -0.846 0.000 1.020 511 V HN 1.210 nan 8.190 nan 0.000 0.439 512 S N 3.908 119.507 115.700 -0.168 0.000 2.499 512 S HA 0.726 5.219 4.470 0.039 0.000 0.279 512 S C -0.524 174.040 174.600 -0.061 0.000 1.219 512 S CA -0.677 57.506 58.200 -0.029 0.000 1.062 512 S CB 0.664 63.838 63.200 -0.043 0.000 0.978 512 S HN 0.766 nan 8.310 nan 0.000 0.489 513 L N 4.085 125.323 121.223 0.025 0.000 2.276 513 L HA 0.559 4.922 4.340 0.039 0.000 0.286 513 L C -0.260 176.533 176.870 -0.129 0.000 1.024 513 L CA -0.433 54.445 54.840 0.064 0.000 0.826 513 L CB 0.384 42.574 42.059 0.217 0.000 1.211 513 L HN 0.960 nan 8.230 nan 0.000 0.422 514 N N 2.095 120.637 118.700 -0.264 0.000 3.364 514 N HA 0.312 5.075 4.740 0.039 0.000 0.294 514 N C 0.163 175.085 175.510 -0.980 0.000 1.562 514 N CA -0.966 51.647 53.050 -0.727 0.000 0.862 514 N CB 0.584 38.834 38.487 -0.396 0.000 1.691 514 N HN 0.222 nan 8.380 nan 0.000 0.572 515 L N -0.762 119.896 121.223 -0.942 0.000 2.191 515 L HA 0.017 4.380 4.340 0.039 0.000 0.212 515 L C 0.642 177.304 176.870 -0.345 0.000 1.103 515 L CA 1.074 55.490 54.840 -0.708 0.000 0.769 515 L CB -0.519 41.215 42.059 -0.542 0.000 0.908 515 L HN 0.378 nan 8.230 nan 0.000 0.438 516 K N 0.180 120.425 120.400 -0.258 0.000 2.168 516 K HA 0.267 4.611 4.320 0.039 0.000 0.258 516 K C -2.164 174.382 176.600 -0.091 0.000 1.010 516 K CA -1.924 54.279 56.287 -0.141 0.000 0.929 516 K CB -0.066 32.366 32.500 -0.113 0.000 0.998 516 K HN -0.205 nan 8.250 nan 0.000 0.479 517 P HA -0.031 nan 4.420 nan 0.000 0.269 517 P C -0.300 176.994 177.300 -0.009 0.000 1.217 517 P CA -0.129 62.972 63.100 0.002 0.000 0.783 517 P CB 0.379 32.084 31.700 0.008 0.000 0.898 518 L N 1.327 122.563 121.223 0.021 0.000 2.615 518 L HA -0.058 4.305 4.340 0.039 0.000 0.284 518 L C 1.074 177.901 176.870 -0.072 0.000 1.237 518 L CA 0.910 55.722 54.840 -0.046 0.000 0.905 518 L CB -0.243 41.786 42.059 -0.050 0.000 1.149 518 L HN 0.512 nan 8.230 nan 0.000 0.499 519 E N 3.031 123.159 120.200 -0.119 0.000 2.210 519 E HA 0.403 4.777 4.350 0.039 0.000 0.266 519 E C -1.415 175.079 176.600 -0.176 0.000 0.883 519 E CA -0.781 55.551 56.400 -0.114 0.000 0.761 519 E CB 2.020 31.659 29.700 -0.101 0.000 1.156 519 E HN 0.293 nan 8.360 nan 0.000 0.412 520 V N 5.002 124.827 119.914 -0.149 0.000 2.498 520 V HA 0.418 4.562 4.120 0.039 0.000 0.279 520 V C 0.340 176.287 176.094 -0.244 0.000 1.048 520 V CA -0.179 62.008 62.300 -0.188 0.000 0.967 520 V CB 1.008 32.778 31.823 -0.089 0.000 0.988 520 V HN 0.701 nan 8.190 nan 0.000 0.473 521 R N 3.881 124.110 120.500 -0.452 0.000 2.912 521 R HA 0.770 5.134 4.340 0.039 0.000 0.262 521 R C -0.924 175.179 176.300 -0.327 0.000 1.057 521 R CA -1.089 54.737 56.100 -0.455 0.000 0.981 521 R CB 2.381 32.270 30.300 -0.685 0.000 1.201 521 R HN 0.570 nan 8.270 nan 0.000 0.484 522 R N -0.254 120.229 120.500 -0.028 0.000 2.575 522 R HA 0.483 4.847 4.340 0.039 0.000 0.293 522 R C -0.936 175.552 176.300 0.312 0.000 0.983 522 R CA -0.503 55.689 56.100 0.153 0.000 0.887 522 R CB 2.284 32.623 30.300 0.065 0.000 1.184 522 R HN 0.898 nan 8.270 nan 0.000 0.445 523 G N 2.330 111.350 108.800 0.367 0.000 3.421 523 G HA2 -0.206 3.778 3.960 0.039 0.000 0.656 523 G HA3 -0.206 3.778 3.960 0.039 0.000 0.656 523 G C -1.136 173.918 174.900 0.257 0.000 1.007 523 G CA -0.909 44.355 45.100 0.274 0.000 0.811 523 G HN 0.388 nan 8.290 nan 0.000 0.433 524 L N 4.134 125.403 121.223 0.076 0.000 2.334 524 L HA 0.529 4.893 4.340 0.039 0.000 0.286 524 L C 1.592 178.465 176.870 0.003 0.000 1.108 524 L CA -0.322 54.413 54.840 -0.175 0.000 0.875 524 L CB -0.163 41.741 42.059 -0.260 0.000 1.246 524 L HN 0.683 nan 8.230 nan 0.000 0.439 525 R N 2.921 123.460 120.500 0.066 0.000 3.322 525 R HA -0.287 4.077 4.340 0.039 0.000 0.253 525 R C 1.331 177.719 176.300 0.148 0.000 0.987 525 R CA 0.680 56.857 56.100 0.129 0.000 0.666 525 R CB -2.075 28.312 30.300 0.146 0.000 1.072 525 R HN 0.797 nan 8.270 nan 0.000 0.447 526 A N 0.689 123.593 122.820 0.139 0.000 1.873 526 A HA -0.264 4.080 4.320 0.039 0.000 0.218 526 A C 2.074 179.746 177.584 0.147 0.000 1.193 526 A CA 1.399 53.519 52.037 0.139 0.000 0.629 526 A CB -0.134 18.942 19.000 0.126 0.000 0.826 526 A HN 0.417 nan 8.150 nan 0.000 0.447 527 Q N -0.778 119.108 119.800 0.143 0.000 2.046 527 Q HA -0.109 4.255 4.340 0.039 0.000 0.200 527 Q C 2.269 178.391 176.000 0.203 0.000 0.975 527 Q CA 2.055 57.949 55.803 0.150 0.000 0.836 527 Q CB -1.181 27.630 28.738 0.122 0.000 0.896 527 Q HN 0.670 nan 8.270 nan 0.000 0.428 528 T N 0.529 115.224 114.554 0.235 0.000 2.777 528 T HA -0.113 4.260 4.350 0.039 0.000 0.266 528 T C 2.003 176.922 174.700 0.365 0.000 1.040 528 T CA 1.157 63.425 62.100 0.281 0.000 1.141 528 T CB -0.254 68.812 68.868 0.329 0.000 0.868 528 T HN 0.319 nan 8.240 nan 0.000 0.444 529 c N 1.552 120.346 118.600 0.324 0.000 2.448 529 c HA 0.270 4.863 4.570 0.039 0.000 0.280 529 c C 3.088 177.337 174.090 0.265 0.000 1.398 529 c CA -0.028 56.502 56.329 0.334 0.000 1.774 529 c CB -1.391 41.245 42.510 0.211 0.000 1.888 529 c HN 0.634 nan 8.230 nan 0.000 0.519 530 A N 0.137 123.086 122.820 0.216 0.000 1.969 530 A HA -0.144 4.199 4.320 0.039 0.000 0.218 530 A C 1.834 179.535 177.584 0.196 0.000 1.169 530 A CA 1.322 53.465 52.037 0.178 0.000 0.635 530 A CB -0.709 18.381 19.000 0.151 0.000 0.810 530 A HN 0.534 nan 8.150 nan 0.000 0.445 531 F N -0.637 119.321 119.950 0.013 0.000 2.075 531 F HA -0.170 4.382 4.527 0.042 0.000 0.297 531 F C 1.913 177.686 175.800 -0.045 0.000 1.113 531 F CA 1.622 59.554 58.000 -0.112 0.000 1.218 531 F CB -0.664 38.008 39.000 -0.547 0.000 0.984 531 F HN 0.380 nan 8.300 nan 0.000 0.472 532 W N 0.637 121.829 121.300 -0.181 0.000 2.409 532 W HA -0.125 4.558 4.660 0.037 0.000 0.299 532 W C 2.218 178.658 176.519 -0.133 0.000 1.203 532 W CA 1.030 58.236 57.345 -0.232 0.000 1.298 532 W CB -0.602 28.855 29.460 -0.004 0.000 1.127 532 W HN -0.041 nan 8.180 nan 0.000 0.528 533 N N -0.279 118.538 118.700 0.194 0.000 2.416 533 N HA 0.014 4.777 4.740 0.039 0.000 0.177 533 N C 1.433 176.979 175.510 0.060 0.000 1.036 533 N CA 0.956 54.072 53.050 0.109 0.000 0.901 533 N CB -0.182 38.367 38.487 0.104 0.000 0.976 533 N HN 0.275 nan 8.380 nan 0.000 0.444 534 R N -1.539 119.002 120.500 0.068 0.000 2.243 534 R HA 0.228 4.592 4.340 0.039 0.000 0.193 534 R C 1.362 177.699 176.300 0.062 0.000 0.933 534 R CA -0.089 56.051 56.100 0.067 0.000 1.105 534 R CB -0.148 30.214 30.300 0.103 0.000 1.169 534 R HN 0.031 nan 8.270 nan 0.000 0.599 535 F N 1.806 121.706 119.950 -0.082 0.000 2.123 535 F HA 0.101 4.652 4.527 0.040 0.000 0.289 535 F C 1.854 177.545 175.800 -0.182 0.000 1.099 535 F CA 1.090 59.027 58.000 -0.104 0.000 1.234 535 F CB -0.251 38.721 39.000 -0.047 0.000 1.034 535 F HN -0.172 nan 8.300 nan 0.000 0.479 536 L N 0.474 121.389 121.223 -0.512 0.000 2.043 536 L HA -0.214 4.149 4.340 0.039 0.000 0.212 536 L C -0.461 176.186 176.870 -0.372 0.000 1.075 536 L CA 1.724 56.235 54.840 -0.547 0.000 0.752 536 L CB -2.143 39.632 42.059 -0.474 0.000 0.891 536 L HN 0.166 nan 8.230 nan 0.000 0.432 537 P HA -0.206 nan 4.420 nan 0.000 0.213 537 P C 1.489 178.671 177.300 -0.196 0.000 1.170 537 P CA 1.430 64.438 63.100 -0.152 0.000 0.902 537 P CB 0.008 31.656 31.700 -0.088 0.000 0.789 538 K N -1.127 119.133 120.400 -0.234 0.000 2.160 538 K HA -0.193 4.150 4.320 0.039 0.000 0.206 538 K C 1.911 178.328 176.600 -0.305 0.000 1.047 538 K CA 1.065 57.216 56.287 -0.226 0.000 0.930 538 K CB -0.771 31.611 32.500 -0.197 0.000 0.720 538 K HN 0.007 nan 8.250 nan 0.000 0.450 539 L N 1.087 122.007 121.223 -0.504 0.000 1.961 539 L HA -0.142 4.222 4.340 0.039 0.000 0.209 539 L C 1.755 178.487 176.870 -0.230 0.000 1.075 539 L CA 1.646 56.220 54.840 -0.443 0.000 0.749 539 L CB -0.658 41.040 42.059 -0.601 0.000 0.890 539 L HN 0.129 nan 8.230 nan 0.000 0.433 540 L N 0.081 121.184 121.223 -0.200 0.000 2.261 540 L HA -0.127 4.236 4.340 0.039 0.000 0.216 540 L C 1.237 178.053 176.870 -0.091 0.000 1.114 540 L CA 1.092 55.861 54.840 -0.119 0.000 0.777 540 L CB -1.004 40.998 42.059 -0.096 0.000 0.910 540 L HN 0.549 nan 8.230 nan 0.000 0.440 541 S N -1.024 114.616 115.700 -0.100 0.000 3.548 541 S HA 0.652 5.145 4.470 0.039 0.000 0.195 541 S C 0.357 174.919 174.600 -0.065 0.000 1.432 541 S CA -0.007 58.150 58.200 -0.071 0.000 1.087 541 S CB 0.818 63.979 63.200 -0.066 0.000 1.337 541 S HN 0.369 nan 8.310 nan 0.000 0.505 542 A N 0.949 123.734 122.820 -0.058 0.000 3.539 542 A HA 0.379 4.722 4.320 0.039 0.000 0.105 542 A C 0.573 178.133 177.584 -0.041 0.000 1.305 542 A CA 0.175 52.185 52.037 -0.045 0.000 1.242 542 A CB -1.016 17.955 19.000 -0.048 0.000 0.927 542 A HN 1.573 nan 8.150 nan 0.000 0.434 543 T N 0.000 114.524 114.554 -0.050 0.000 3.816 543 T HA 0.000 4.373 4.350 0.039 0.000 0.228 543 T CA 0.000 62.077 62.100 -0.038 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.033 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658