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 2xuq_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSAFLVYGV 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 RFLPKLLS 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 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 D N 5.484 125.919 120.400 0.058 0.000 2.338 5 D HA 0.149 4.813 4.640 0.040 0.000 0.255 5 D C -1.394 174.949 176.300 0.073 0.000 1.237 5 D CA -2.072 51.976 54.000 0.080 0.000 0.883 5 D CB 1.452 42.330 40.800 0.129 0.000 1.087 5 D HN 0.244 nan 8.370 nan 0.000 0.485 6 P HA -0.183 nan 4.420 nan 0.000 0.217 6 P C 1.124 178.443 177.300 0.032 0.000 1.148 6 P CA 0.939 64.057 63.100 0.031 0.000 0.828 6 P CB 0.395 32.099 31.700 0.008 0.000 0.783 7 Q N -0.847 118.960 119.800 0.012 0.000 2.364 7 Q HA -0.006 4.358 4.340 0.040 0.000 0.209 7 Q C 1.733 177.822 176.000 0.148 0.000 0.977 7 Q CA 0.887 56.680 55.803 -0.017 0.000 0.885 7 Q CB -0.290 28.283 28.738 -0.275 0.000 0.941 7 Q HN 0.423 nan 8.270 nan 0.000 0.464 8 L N 0.020 121.349 121.223 0.177 0.000 2.818 8 L HA 0.271 4.635 4.340 0.040 0.000 0.243 8 L C 0.016 177.088 176.870 0.337 0.000 1.185 8 L CA -0.117 54.863 54.840 0.233 0.000 0.988 8 L CB 0.414 42.520 42.059 0.078 0.000 1.292 8 L HN -0.049 nan 8.230 nan 0.000 0.519 9 L N 0.738 122.107 121.223 0.244 0.000 2.343 9 L HA 0.534 4.898 4.340 0.040 0.000 0.278 9 L C -0.814 176.081 176.870 0.041 0.000 0.996 9 L CA -0.464 54.474 54.840 0.164 0.000 0.831 9 L CB 2.170 44.282 42.059 0.089 0.000 1.232 9 L HN -0.199 nan 8.230 nan 0.000 0.413 10 V N 3.016 122.909 119.914 -0.035 0.000 2.680 10 V HA 0.516 4.660 4.120 0.040 0.000 0.309 10 V C -0.265 175.742 176.094 -0.145 0.000 1.052 10 V CA -0.865 61.267 62.300 -0.280 0.000 0.908 10 V CB 2.124 33.452 31.823 -0.825 0.000 1.001 10 V HN 0.688 nan 8.190 nan 0.000 0.431 11 R N 2.949 123.345 120.500 -0.173 0.000 2.215 11 R HA 0.688 5.052 4.340 0.040 0.000 0.336 11 R C -0.705 175.507 176.300 -0.146 0.000 0.996 11 R CA -0.354 55.681 56.100 -0.109 0.000 0.847 11 R CB 1.321 31.562 30.300 -0.098 0.000 1.127 11 R HN 0.749 nan 8.270 nan 0.000 0.465 12 V N 1.996 121.872 119.914 -0.063 0.000 3.096 12 V HA 0.438 4.582 4.120 0.040 0.000 0.319 12 V C 1.300 177.313 176.094 -0.135 0.000 1.082 12 V CA -0.958 61.303 62.300 -0.065 0.000 1.022 12 V CB 1.778 33.697 31.823 0.160 0.000 1.103 12 V HN 0.780 nan 8.190 nan 0.000 0.455 13 R N 1.943 122.346 120.500 -0.161 0.000 2.133 13 R HA -0.138 4.226 4.340 0.040 0.000 0.247 13 R C 1.954 178.109 176.300 -0.242 0.000 1.151 13 R CA 1.917 57.914 56.100 -0.171 0.000 0.971 13 R CB -1.061 29.152 30.300 -0.144 0.000 0.866 13 R HN 1.010 nan 8.270 nan 0.000 0.447 14 G N -0.636 107.967 108.800 -0.329 0.000 2.985 14 G HA2 0.318 4.302 3.960 0.040 0.000 0.209 14 G HA3 0.318 4.302 3.960 0.040 0.000 0.209 14 G C 0.459 174.456 174.900 -1.505 0.000 1.165 14 G CA 0.577 45.254 45.100 -0.706 0.000 0.776 14 G HN 0.647 nan 8.290 nan 0.000 0.541 15 G N -1.024 107.167 108.800 -1.014 0.000 2.320 15 G HA2 0.132 4.116 3.960 0.040 0.000 0.274 15 G HA3 0.132 4.116 3.960 0.040 0.000 0.274 15 G C -1.262 173.556 174.900 -0.137 0.000 1.324 15 G CA -0.943 43.644 45.100 -0.854 0.000 0.957 15 G HN 0.262 nan 8.290 nan 0.000 0.481 16 Q N -0.537 119.371 119.800 0.179 0.000 2.222 16 Q HA 0.741 5.105 4.340 0.040 0.000 0.252 16 Q C -0.604 175.675 176.000 0.466 0.000 0.926 16 Q CA -0.455 55.513 55.803 0.274 0.000 0.899 16 Q CB 2.038 30.874 28.738 0.163 0.000 1.250 16 Q HN 0.459 nan 8.270 nan 0.000 0.441 17 L N 1.432 122.844 121.223 0.315 0.000 2.401 17 L HA 0.610 4.974 4.340 0.040 0.000 0.266 17 L C -0.620 176.422 176.870 0.288 0.000 0.991 17 L CA -0.808 54.224 54.840 0.321 0.000 0.818 17 L CB 2.299 44.580 42.059 0.369 0.000 1.321 17 L HN 0.458 nan 8.230 nan 0.000 0.413 18 R N 1.008 121.658 120.500 0.250 0.000 2.337 18 R HA 0.626 4.990 4.340 0.040 0.000 0.319 18 R C -0.109 176.283 176.300 0.153 0.000 0.954 18 R CA -0.278 55.945 56.100 0.205 0.000 0.840 18 R CB 1.474 31.835 30.300 0.102 0.000 1.164 18 R HN 0.774 nan 8.270 nan 0.000 0.472 19 G N 3.286 112.133 108.800 0.078 0.000 2.510 19 G HA2 0.419 4.403 3.960 0.040 0.000 0.280 19 G HA3 0.419 4.403 3.960 0.040 0.000 0.280 19 G C -0.867 173.826 174.900 -0.345 0.000 1.386 19 G CA -0.683 44.126 45.100 -0.484 0.000 1.047 19 G HN 0.636 nan 8.290 nan 0.000 0.527 20 I N -1.038 119.280 120.570 -0.421 0.000 2.607 20 I HA 0.498 4.692 4.170 0.040 0.000 0.290 20 I C -0.286 175.695 176.117 -0.225 0.000 1.129 20 I CA -1.055 60.096 61.300 -0.248 0.000 1.042 20 I CB 2.050 39.919 38.000 -0.218 0.000 1.242 20 I HN 0.496 nan 8.210 nan 0.000 0.421 21 R N 7.527 127.933 120.500 -0.157 0.000 2.347 21 R HA 0.541 4.905 4.340 0.040 0.000 0.304 21 R C -1.559 174.642 176.300 -0.166 0.000 1.072 21 R CA -0.162 55.834 56.100 -0.173 0.000 0.980 21 R CB 0.579 30.722 30.300 -0.261 0.000 0.986 21 R HN 0.653 nan 8.270 nan 0.000 0.448 22 L N 3.347 124.487 121.223 -0.137 0.000 2.322 22 L HA 0.467 4.831 4.340 0.040 0.000 0.269 22 L C -0.423 176.376 176.870 -0.118 0.000 1.012 22 L CA -1.247 53.529 54.840 -0.108 0.000 0.815 22 L CB 1.819 43.846 42.059 -0.053 0.000 1.295 22 L HN 0.510 nan 8.230 nan 0.000 0.438 23 K N 1.693 122.029 120.400 -0.108 0.000 2.248 23 K HA 0.672 5.016 4.320 0.040 0.000 0.281 23 K C -0.901 175.631 176.600 -0.114 0.000 1.054 23 K CA -0.102 56.125 56.287 -0.100 0.000 0.903 23 K CB 1.445 33.898 32.500 -0.078 0.000 1.077 23 K HN 0.642 nan 8.250 nan 0.000 0.474 24 A N 5.416 128.173 122.820 -0.105 0.000 2.356 24 A HA 0.551 4.895 4.320 0.040 0.000 0.323 24 A C -2.048 175.531 177.584 -0.009 0.000 1.119 24 A CA -1.889 50.076 52.037 -0.120 0.000 0.790 24 A CB 1.004 19.910 19.000 -0.157 0.000 1.273 24 A HN 0.704 nan 8.150 nan 0.000 0.452 25 P HA -0.125 nan 4.420 nan 0.000 0.216 25 P C 1.227 178.555 177.300 0.047 0.000 1.150 25 P CA 2.126 65.275 63.100 0.081 0.000 0.843 25 P CB 0.270 32.049 31.700 0.132 0.000 0.787 26 G N -2.443 106.386 108.800 0.050 0.000 3.126 26 G HA2 0.481 4.465 3.960 0.040 0.000 0.224 26 G HA3 0.481 4.465 3.960 0.040 0.000 0.224 26 G C 0.451 175.366 174.900 0.025 0.000 1.142 26 G CA 0.413 45.535 45.100 0.036 0.000 0.759 26 G HN 0.603 nan 8.290 nan 0.000 0.550 27 G N -0.357 108.449 108.800 0.009 0.000 2.337 27 G HA2 0.387 4.371 3.960 0.040 0.000 0.298 27 G HA3 0.387 4.371 3.960 0.040 0.000 0.298 27 G C -3.403 171.479 174.900 -0.029 0.000 1.335 27 G CA -0.756 44.343 45.100 -0.001 0.000 0.875 27 G HN 0.029 nan 8.290 nan 0.000 0.579 28 P HA 0.506 nan 4.420 nan 0.000 0.275 28 P C -0.026 177.271 177.300 -0.006 0.000 1.228 28 P CA -0.199 62.817 63.100 -0.141 0.000 0.786 28 P CB 1.606 33.062 31.700 -0.407 0.000 0.927 29 V N -0.994 118.921 119.914 0.002 0.000 2.914 29 V HA 0.612 4.756 4.120 0.040 0.000 0.314 29 V C -0.202 175.985 176.094 0.155 0.000 1.084 29 V CA -0.913 61.472 62.300 0.142 0.000 0.963 29 V CB 1.732 33.642 31.823 0.145 0.000 1.025 29 V HN 0.435 nan 8.190 nan 0.000 0.432 30 S N 2.072 117.927 115.700 0.258 0.000 2.499 30 S HA 0.817 5.311 4.470 0.040 0.000 0.279 30 S C 0.095 174.692 174.600 -0.006 0.000 1.219 30 S CA 0.033 58.308 58.200 0.125 0.000 1.062 30 S CB 1.183 64.550 63.200 0.278 0.000 0.978 30 S HN 1.555 nan 8.310 nan 0.000 0.489 31 A N 2.773 125.388 122.820 -0.342 0.000 2.343 31 A HA 0.774 5.118 4.320 0.040 0.000 0.308 31 A C -1.149 175.996 177.584 -0.731 0.000 1.092 31 A CA -0.668 51.084 52.037 -0.475 0.000 0.751 31 A CB 0.440 19.159 19.000 -0.469 0.000 1.203 31 A HN 0.685 nan 8.150 nan 0.000 0.452 32 F N 3.182 122.979 119.950 -0.255 0.000 2.359 32 F HA 0.438 4.989 4.527 0.040 0.000 0.370 32 F C -0.141 175.480 175.800 -0.297 0.000 1.077 32 F CA -0.356 57.559 58.000 -0.142 0.000 1.136 32 F CB 0.960 40.041 39.000 0.135 0.000 1.387 32 F HN 0.350 nan 8.300 nan 0.000 0.468 33 L N 1.900 122.965 121.223 -0.264 0.000 2.322 33 L HA 0.734 5.098 4.340 0.040 0.000 0.279 33 L C 1.014 177.793 176.870 -0.152 0.000 1.036 33 L CA -0.954 53.677 54.840 -0.349 0.000 0.807 33 L CB 1.448 43.090 42.059 -0.695 0.000 1.226 33 L HN 0.798 nan 8.230 nan 0.000 0.433 34 G N 2.807 111.585 108.800 -0.036 0.000 2.182 34 G HA2 -0.243 3.741 3.960 0.040 0.000 0.248 34 G HA3 -0.243 3.741 3.960 0.040 0.000 0.248 34 G C -0.094 174.888 174.900 0.136 0.000 1.042 34 G CA -0.413 44.699 45.100 0.020 0.000 0.775 34 G HN 0.498 nan 8.290 nan 0.000 0.501 35 I N 2.193 122.819 120.570 0.093 0.000 2.452 35 I HA 0.231 4.425 4.170 0.040 0.000 0.287 35 I C -1.474 174.658 176.117 0.024 0.000 1.079 35 I CA -2.018 59.306 61.300 0.039 0.000 1.387 35 I CB 0.922 38.893 38.000 -0.049 0.000 1.404 35 I HN -0.037 nan 8.210 nan 0.000 0.522 36 P HA 0.060 nan 4.420 nan 0.000 0.281 36 P C -0.258 176.944 177.300 -0.162 0.000 1.252 36 P CA -0.027 62.851 63.100 -0.370 0.000 0.778 36 P CB 0.564 32.048 31.700 -0.359 0.000 0.895 37 F N 1.011 120.787 119.950 -0.291 0.000 2.746 37 F HA 0.729 5.280 4.527 0.040 0.000 0.320 37 F C -0.049 175.742 175.800 -0.016 0.000 1.097 37 F CA -0.775 57.145 58.000 -0.134 0.000 1.195 37 F CB 0.195 39.015 39.000 -0.301 0.000 1.056 37 F HN 0.327 nan 8.300 nan 0.000 0.562 38 A N 0.240 122.747 122.820 -0.523 0.000 2.572 38 A HA 0.560 4.904 4.320 0.040 0.000 0.295 38 A C -0.849 176.559 177.584 -0.294 0.000 1.072 38 A CA -0.756 51.084 52.037 -0.328 0.000 0.691 38 A CB 1.000 19.737 19.000 -0.439 0.000 1.291 38 A HN 0.081 nan 8.150 nan 0.000 0.404 39 E N 1.578 121.695 120.200 -0.138 0.000 2.415 39 E HA 0.178 4.552 4.350 0.040 0.000 0.263 39 E C -2.269 174.240 176.600 -0.152 0.000 0.995 39 E CA -1.139 55.197 56.400 -0.106 0.000 0.915 39 E CB -0.020 29.656 29.700 -0.040 0.000 0.951 39 E HN 0.243 nan 8.360 nan 0.000 0.449 40 P HA -0.046 nan 4.420 nan 0.000 0.260 40 P C -2.234 175.006 177.300 -0.101 0.000 1.172 40 P CA -0.553 62.468 63.100 -0.131 0.000 0.760 40 P CB -0.073 31.587 31.700 -0.068 0.000 0.773 41 P HA 0.025 nan 4.420 nan 0.000 0.220 41 P C -0.368 176.875 177.300 -0.094 0.000 1.806 41 P CA 0.049 63.097 63.100 -0.087 0.000 0.976 41 P CB -0.091 31.561 31.700 -0.081 0.000 1.952 42 V N -2.462 117.403 119.914 -0.081 0.000 2.994 42 V HA 0.898 5.042 4.120 0.040 0.000 0.318 42 V C 1.018 177.071 176.094 -0.069 0.000 1.085 42 V CA 0.162 62.412 62.300 -0.084 0.000 0.998 42 V CB 0.860 32.642 31.823 -0.068 0.000 1.063 42 V HN 0.546 nan 8.190 nan 0.000 0.447 43 G N 2.692 111.450 108.800 -0.070 0.000 2.620 43 G HA2 -0.371 3.613 3.960 0.040 0.000 0.315 43 G HA3 -0.371 3.613 3.960 0.040 0.000 0.315 43 G C 1.320 176.191 174.900 -0.049 0.000 1.179 43 G CA 1.803 46.873 45.100 -0.049 0.000 0.971 43 G HN 2.346 nan 8.290 nan 0.000 0.544 44 S N 0.498 116.182 115.700 -0.026 0.000 2.489 44 S HA 0.104 4.598 4.470 0.040 0.000 0.228 44 S C 2.030 176.622 174.600 -0.014 0.000 0.995 44 S CA 1.388 59.583 58.200 -0.009 0.000 0.934 44 S CB -0.025 63.178 63.200 0.006 0.000 0.771 44 S HN 0.676 nan 8.310 nan 0.000 0.522 45 R N 0.838 121.317 120.500 -0.034 0.000 2.299 45 R HA 0.223 4.587 4.340 0.040 0.000 0.197 45 R C 1.008 177.265 176.300 -0.072 0.000 0.971 45 R CA -0.110 55.970 56.100 -0.033 0.000 1.030 45 R CB -0.081 30.198 30.300 -0.034 0.000 0.932 45 R HN 0.384 nan 8.270 nan 0.000 0.477 46 R N 0.836 121.244 120.500 -0.154 0.000 2.585 46 R HA -0.141 4.223 4.340 0.040 0.000 0.275 46 R C -0.375 175.711 176.300 -0.357 0.000 1.018 46 R CA 0.568 56.443 56.100 -0.374 0.000 1.072 46 R CB 0.135 30.078 30.300 -0.595 0.000 0.953 46 R HN 0.124 nan 8.270 nan 0.000 0.419 47 F N -0.647 119.320 119.950 0.030 0.000 2.825 47 F HA -0.318 4.232 4.527 0.040 0.000 0.358 47 F C 0.044 175.843 175.800 -0.002 0.000 0.639 47 F CA 0.679 58.675 58.000 -0.006 0.000 1.153 47 F CB -1.838 37.147 39.000 -0.025 0.000 1.610 47 F HN 0.468 nan 8.300 nan 0.000 0.305 48 M N 0.899 120.566 119.600 0.111 0.000 2.409 48 M HA 0.434 4.938 4.480 0.040 0.000 0.329 48 M C -2.019 174.317 176.300 0.059 0.000 1.180 48 M CA -1.599 53.751 55.300 0.083 0.000 1.053 48 M CB 0.779 33.413 32.600 0.058 0.000 1.586 48 M HN -0.384 nan 8.290 nan 0.000 0.461 49 P HA 0.018 nan 4.420 nan 0.000 0.264 49 P C -2.405 174.931 177.300 0.059 0.000 1.179 49 P CA -0.365 62.776 63.100 0.069 0.000 0.763 49 P CB -0.520 31.228 31.700 0.081 0.000 0.806 50 P HA 0.120 nan 4.420 nan 0.000 0.272 50 P C -0.402 176.935 177.300 0.063 0.000 1.223 50 P CA 0.268 63.399 63.100 0.052 0.000 0.784 50 P CB 0.852 32.605 31.700 0.089 0.000 0.923 51 E N 1.774 121.996 120.200 0.037 0.000 2.207 51 E HA 0.405 4.779 4.350 0.040 0.000 0.270 51 E C -2.323 174.313 176.600 0.061 0.000 0.927 51 E CA -2.305 54.125 56.400 0.051 0.000 0.799 51 E CB 0.876 30.597 29.700 0.035 0.000 1.172 51 E HN 0.278 nan 8.360 nan 0.000 0.404 52 P HA -0.026 nan 4.420 nan 0.000 0.266 52 P C -0.351 177.013 177.300 0.106 0.000 1.195 52 P CA -0.054 63.124 63.100 0.131 0.000 0.768 52 P CB 0.395 32.174 31.700 0.132 0.000 0.838 53 K N 4.106 124.587 120.400 0.135 0.000 2.447 53 K HA 0.008 4.352 4.320 0.040 0.000 0.281 53 K C 0.029 176.736 176.600 0.179 0.000 1.031 53 K CA 0.447 56.816 56.287 0.137 0.000 1.019 53 K CB 0.055 32.669 32.500 0.191 0.000 0.918 53 K HN 0.272 nan 8.250 nan 0.000 0.476 54 R N 5.060 125.647 120.500 0.145 0.000 2.643 54 R HA 0.116 4.480 4.340 0.040 0.000 0.270 54 R C -1.952 174.462 176.300 0.191 0.000 1.061 54 R CA -1.464 54.714 56.100 0.130 0.000 1.107 54 R CB -0.086 30.273 30.300 0.098 0.000 0.999 54 R HN 0.576 nan 8.270 nan 0.000 0.460 55 P HA -0.098 nan 4.420 nan 0.000 0.267 55 P C -1.187 176.171 177.300 0.097 0.000 1.201 55 P CA 0.247 63.306 63.100 -0.067 0.000 0.775 55 P CB 0.330 31.954 31.700 -0.126 0.000 0.854 56 W N 0.466 121.796 121.300 0.051 0.000 2.902 56 W HA 0.693 5.377 4.660 0.040 0.000 0.346 56 W C -0.538 176.005 176.519 0.039 0.000 1.139 56 W CA -0.996 56.376 57.345 0.046 0.000 1.139 56 W CB 0.039 29.534 29.460 0.058 0.000 1.439 56 W HN 0.377 nan 8.180 nan 0.000 0.558 57 S N 1.425 117.291 115.700 0.277 0.000 2.652 57 S HA 0.761 5.255 4.470 0.040 0.000 0.270 57 S C 0.737 175.493 174.600 0.261 0.000 1.243 57 S CA 0.196 58.498 58.200 0.170 0.000 0.999 57 S CB 0.698 63.969 63.200 0.119 0.000 0.973 57 S HN 2.168 nan 8.310 nan 0.000 0.544 58 G N 0.170 109.067 108.800 0.163 0.000 2.574 58 G HA2 -0.188 3.796 3.960 0.040 0.000 0.282 58 G HA3 -0.188 3.796 3.960 0.040 0.000 0.282 58 G C -0.533 174.513 174.900 0.243 0.000 1.257 58 G CA -0.026 45.171 45.100 0.162 0.000 0.956 58 G HN 1.731 nan 8.290 nan 0.000 0.560 59 V N 0.509 120.542 119.914 0.198 0.000 2.378 59 V HA 0.569 4.713 4.120 0.040 0.000 0.288 59 V C 0.367 176.552 176.094 0.152 0.000 1.016 59 V CA -0.409 62.017 62.300 0.209 0.000 0.840 59 V CB 1.313 33.218 31.823 0.136 0.000 0.994 59 V HN 0.843 nan 8.190 nan 0.000 0.431 60 L N 3.848 125.160 121.223 0.149 0.000 2.331 60 L HA 0.464 4.828 4.340 0.040 0.000 0.278 60 L C 0.217 177.072 176.870 -0.024 0.000 1.106 60 L CA 0.156 54.947 54.840 -0.082 0.000 0.824 60 L CB 1.056 42.819 42.059 -0.494 0.000 1.142 60 L HN 0.746 nan 8.230 nan 0.000 0.443 61 D N 4.391 124.758 120.400 -0.054 0.000 2.344 61 D HA 0.345 5.009 4.640 0.040 0.000 0.253 61 D C -0.252 176.015 176.300 -0.055 0.000 1.255 61 D CA 0.289 54.266 54.000 -0.039 0.000 0.894 61 D CB 0.915 41.683 40.800 -0.053 0.000 1.067 61 D HN 0.627 nan 8.370 nan 0.000 0.492 62 A N 3.351 126.162 122.820 -0.016 0.000 3.219 62 A HA 0.330 4.674 4.320 0.040 0.000 0.314 62 A C 0.918 178.437 177.584 -0.108 0.000 1.081 62 A CA -0.327 51.697 52.037 -0.022 0.000 0.995 62 A CB -0.171 18.904 19.000 0.124 0.000 1.067 62 A HN 0.565 nan 8.150 nan 0.000 0.533 63 T N -3.385 111.079 114.554 -0.150 0.000 2.975 63 T HA 0.254 4.628 4.350 0.040 0.000 0.257 63 T C 0.664 175.216 174.700 -0.247 0.000 1.003 63 T CA 0.767 62.748 62.100 -0.198 0.000 0.932 63 T CB -0.093 68.689 68.868 -0.143 0.000 1.087 63 T HN 0.657 nan 8.240 nan 0.000 0.512 64 T N -0.138 114.274 114.554 -0.236 0.000 2.906 64 T HA 0.715 5.089 4.350 0.040 0.000 0.295 64 T C -0.752 173.803 174.700 -0.241 0.000 1.061 64 T CA -0.860 61.091 62.100 -0.248 0.000 1.000 64 T CB 1.135 69.918 68.868 -0.141 0.000 1.103 64 T HN -0.010 nan 8.240 nan 0.000 0.486 65 F N 1.944 121.825 119.950 -0.116 0.000 2.553 65 F HA 0.292 4.843 4.527 0.040 0.000 0.356 65 F C 1.438 177.135 175.800 -0.171 0.000 1.142 65 F CA -0.110 57.821 58.000 -0.116 0.000 1.322 65 F CB 0.398 39.354 39.000 -0.073 0.000 1.126 65 F HN 0.465 nan 8.300 nan 0.000 0.599 66 Q N 1.407 121.206 119.800 -0.002 0.000 2.166 66 Q HA 0.241 4.605 4.340 0.040 0.000 0.226 66 Q C -0.213 175.683 176.000 -0.174 0.000 0.989 66 Q CA -0.922 54.724 55.803 -0.261 0.000 0.966 66 Q CB 0.711 28.996 28.738 -0.755 0.000 1.173 66 Q HN 0.519 nan 8.270 nan 0.000 0.509 67 N N -0.061 118.502 118.700 -0.228 0.000 2.329 67 N HA -0.017 4.747 4.740 0.040 0.000 0.237 67 N C -0.461 174.995 175.510 -0.091 0.000 1.258 67 N CA 0.210 53.177 53.050 -0.138 0.000 0.866 67 N CB 0.320 38.735 38.487 -0.119 0.000 1.102 67 N HN 0.184 nan 8.380 nan 0.000 0.440 68 V N 1.590 121.435 119.914 -0.115 0.000 2.607 68 V HA 0.071 4.215 4.120 0.040 0.000 0.289 68 V C 0.714 176.739 176.094 -0.115 0.000 1.053 68 V CA -0.823 61.401 62.300 -0.127 0.000 0.996 68 V CB 1.136 32.849 31.823 -0.184 0.000 0.995 68 V HN 0.722 nan 8.190 nan 0.000 0.476 69 c N 4.259 122.812 118.600 -0.079 0.000 2.634 69 c HA 0.082 4.676 4.570 0.040 0.000 0.417 69 c C 0.496 174.525 174.090 -0.103 0.000 1.334 69 c CA -0.474 55.816 56.329 -0.064 0.000 1.829 69 c CB -0.945 41.557 42.510 -0.014 0.000 2.665 69 c HN 0.755 nan 8.230 nan 0.000 0.614 70 Y N 3.803 123.950 120.300 -0.255 0.000 2.620 70 Y HA 0.266 4.840 4.550 0.040 0.000 0.330 70 Y C 0.736 176.633 175.900 -0.005 0.000 1.186 70 Y CA 1.012 58.954 58.100 -0.264 0.000 1.467 70 Y CB 0.159 38.232 38.460 -0.644 0.000 1.262 70 Y HN 0.750 nan 8.280 nan 0.000 0.550 71 Q N 4.243 124.051 119.800 0.013 0.000 2.578 71 Q HA 0.200 4.564 4.340 0.040 0.000 0.284 71 Q C -1.861 174.256 176.000 0.196 0.000 0.960 71 Q CA -1.176 54.759 55.803 0.219 0.000 0.809 71 Q CB 1.055 29.845 28.738 0.088 0.000 1.462 71 Q HN 0.687 nan 8.270 nan 0.000 0.392 72 Y N 1.349 121.799 120.300 0.250 0.000 2.712 72 Y HA 0.302 4.876 4.550 0.040 0.000 0.333 72 Y C -0.860 175.117 175.900 0.127 0.000 1.225 72 Y CA 0.233 58.455 58.100 0.203 0.000 1.499 72 Y CB 0.856 39.468 38.460 0.254 0.000 1.288 72 Y HN 0.452 nan 8.280 nan 0.000 0.575 73 V N 7.024 126.517 119.914 -0.700 0.000 2.370 73 V HA 0.068 4.212 4.120 0.040 0.000 0.283 73 V C -0.073 175.513 176.094 -0.847 0.000 1.023 73 V CA -1.060 60.904 62.300 -0.561 0.000 0.857 73 V CB 1.276 32.894 31.823 -0.341 0.000 0.985 73 V HN 0.771 nan 8.190 nan 0.000 0.443 74 D N 3.705 123.890 120.400 -0.358 0.000 2.417 74 D HA 0.071 4.735 4.640 0.040 0.000 0.250 74 D C 0.660 176.932 176.300 -0.046 0.000 1.166 74 D CA 0.447 54.403 54.000 -0.073 0.000 0.881 74 D CB 1.517 42.436 40.800 0.198 0.000 1.164 74 D HN 0.786 nan 8.370 nan 0.000 0.467 75 T N 1.286 115.845 114.554 0.007 0.000 3.393 75 T HA 0.037 4.411 4.350 0.040 0.000 0.298 75 T C 1.430 176.119 174.700 -0.018 0.000 1.004 75 T CA -0.501 61.598 62.100 -0.001 0.000 0.956 75 T CB -0.006 68.847 68.868 -0.026 0.000 1.182 75 T HN 0.224 nan 8.240 nan 0.000 0.497 76 L N 0.718 121.917 121.223 -0.040 0.000 2.083 76 L HA 0.276 4.640 4.340 0.040 0.000 0.209 76 L C -0.433 176.143 176.870 -0.490 0.000 1.083 76 L CA 1.544 56.189 54.840 -0.324 0.000 0.752 76 L CB -0.312 41.434 42.059 -0.522 0.000 0.899 76 L HN 0.462 nan 8.230 nan 0.000 0.433 77 Y N -0.219 120.107 120.300 0.045 0.000 2.609 77 Y HA 0.429 5.003 4.550 0.040 0.000 0.350 77 Y C -2.280 173.659 175.900 0.065 0.000 1.050 77 Y CA -3.532 54.584 58.100 0.026 0.000 1.290 77 Y CB 0.007 38.459 38.460 -0.015 0.000 1.094 77 Y HN 0.029 nan 8.280 nan 0.000 0.583 78 P HA 0.151 nan 4.420 nan 0.000 0.263 78 P C 1.069 178.425 177.300 0.093 0.000 1.195 78 P CA 1.456 64.608 63.100 0.087 0.000 0.762 78 P CB 0.867 32.593 31.700 0.043 0.000 0.799 79 G N 2.619 111.456 108.800 0.061 0.000 2.284 79 G HA2 -0.297 3.687 3.960 0.040 0.000 0.247 79 G HA3 -0.297 3.687 3.960 0.040 0.000 0.247 79 G C 0.023 174.948 174.900 0.043 0.000 1.012 79 G CA -0.312 44.807 45.100 0.032 0.000 0.618 79 G HN 0.550 nan 8.290 nan 0.000 0.521 80 F N 2.614 122.520 119.950 -0.073 0.000 2.504 80 F HA 0.528 5.078 4.527 0.040 0.000 0.369 80 F C 1.401 177.094 175.800 -0.178 0.000 1.082 80 F CA 0.177 58.082 58.000 -0.158 0.000 1.216 80 F CB 0.980 39.852 39.000 -0.213 0.000 1.108 80 F HN 0.262 nan 8.300 nan 0.000 0.554 81 E N 3.629 123.293 120.200 -0.894 0.000 2.153 81 E HA -0.117 4.257 4.350 0.040 0.000 0.194 81 E C 2.135 178.205 176.600 -0.883 0.000 0.988 81 E CA 1.201 57.152 56.400 -0.748 0.000 0.811 81 E CB -0.272 29.077 29.700 -0.585 0.000 0.746 81 E HN 1.012 nan 8.360 nan 0.000 0.466 82 G N -0.189 107.562 108.800 -1.748 0.000 2.470 82 G HA2 -0.281 3.703 3.960 0.040 0.000 0.220 82 G HA3 -0.281 3.703 3.960 0.040 0.000 0.220 82 G C 1.605 176.505 174.900 0.001 0.000 1.121 82 G CA 1.529 45.978 45.100 -1.085 0.000 0.766 82 G HN 0.457 nan 8.290 nan 0.000 0.553 83 T N -2.244 112.318 114.554 0.013 0.000 3.042 83 T HA 0.168 4.542 4.350 0.040 0.000 0.245 83 T C 1.928 176.760 174.700 0.220 0.000 1.029 83 T CA 0.837 63.200 62.100 0.438 0.000 1.120 83 T CB 0.147 69.329 68.868 0.524 0.000 0.917 83 T HN 0.166 nan 8.240 nan 0.000 0.467 84 E N 1.879 122.074 120.200 -0.009 0.000 2.204 84 E HA -0.036 4.338 4.350 0.040 0.000 0.195 84 E C 2.175 178.672 176.600 -0.171 0.000 0.990 84 E CA 1.139 57.493 56.400 -0.075 0.000 0.821 84 E CB -0.556 29.070 29.700 -0.123 0.000 0.750 84 E HN 0.802 nan 8.360 nan 0.000 0.477 85 M N -2.052 117.364 119.600 -0.307 0.000 2.446 85 M HA -0.081 4.423 4.480 0.040 0.000 0.263 85 M C 0.962 176.862 176.300 -0.667 0.000 1.066 85 M CA 1.333 56.308 55.300 -0.542 0.000 1.087 85 M CB -0.316 31.856 32.600 -0.715 0.000 1.406 85 M HN 0.042 nan 8.290 nan 0.000 0.459 86 W N 0.795 122.006 121.300 -0.149 0.000 2.996 86 W HA 0.292 4.975 4.660 0.039 0.000 0.270 86 W C 0.547 176.957 176.519 -0.182 0.000 1.280 86 W CA -0.863 56.379 57.345 -0.172 0.000 1.549 86 W CB -0.191 29.208 29.460 -0.101 0.000 1.079 86 W HN 0.092 nan 8.180 nan 0.000 0.629 87 N N 1.647 120.352 118.700 0.008 0.000 2.444 87 N HA 0.093 4.857 4.740 0.040 0.000 0.255 87 N C -2.413 173.010 175.510 -0.144 0.000 1.255 87 N CA -1.136 51.875 53.050 -0.065 0.000 0.933 87 N CB -0.173 38.270 38.487 -0.072 0.000 1.143 87 N HN -0.358 nan 8.380 nan 0.000 0.453 88 P HA 0.002 nan 4.420 nan 0.000 0.261 88 P C 0.277 177.467 177.300 -0.184 0.000 1.183 88 P CA 0.193 63.177 63.100 -0.194 0.000 0.761 88 P CB 0.205 31.784 31.700 -0.202 0.000 0.785 89 N N 2.759 121.339 118.700 -0.199 0.000 2.214 89 N HA 0.059 4.823 4.740 0.040 0.000 0.214 89 N C 0.179 175.604 175.510 -0.143 0.000 1.132 89 N CA 0.081 53.026 53.050 -0.175 0.000 0.856 89 N CB 0.358 38.727 38.487 -0.198 0.000 1.020 89 N HN 0.145 nan 8.380 nan 0.000 0.509 90 R N 0.021 120.432 120.500 -0.147 0.000 2.855 90 R HA 0.322 4.686 4.340 0.040 0.000 0.266 90 R C -0.270 175.953 176.300 -0.129 0.000 1.034 90 R CA -0.676 55.353 56.100 -0.118 0.000 0.944 90 R CB 0.679 30.918 30.300 -0.103 0.000 1.219 90 R HN 0.094 nan 8.270 nan 0.000 0.474 91 E N 1.609 121.742 120.200 -0.112 0.000 2.481 91 E HA -0.002 4.372 4.350 0.040 0.000 0.263 91 E C -0.094 176.423 176.600 -0.139 0.000 0.992 91 E CA 0.341 56.673 56.400 -0.113 0.000 0.938 91 E CB 0.425 30.073 29.700 -0.087 0.000 0.933 91 E HN 0.263 nan 8.360 nan 0.000 0.453 92 L N 2.209 123.327 121.223 -0.175 0.000 2.380 92 L HA 0.192 4.556 4.340 0.040 0.000 0.273 92 L C 0.711 177.516 176.870 -0.108 0.000 1.138 92 L CA 0.110 54.796 54.840 -0.256 0.000 0.832 92 L CB 0.879 42.606 42.059 -0.552 0.000 1.124 92 L HN 0.356 nan 8.230 nan 0.000 0.454 93 S N 1.237 116.903 115.700 -0.057 0.000 2.537 93 S HA 0.192 4.686 4.470 0.040 0.000 0.271 93 S C 0.306 174.902 174.600 -0.007 0.000 1.148 93 S CA -0.659 57.560 58.200 0.032 0.000 0.868 93 S CB 1.761 64.952 63.200 -0.015 0.000 1.115 93 S HN 0.739 nan 8.310 nan 0.000 0.461 94 E N 0.895 121.057 120.200 -0.065 0.000 2.274 94 E HA -0.080 4.294 4.350 0.040 0.000 0.194 94 E C -0.285 176.257 176.600 -0.097 0.000 0.996 94 E CA 0.526 56.815 56.400 -0.186 0.000 0.840 94 E CB 0.102 29.641 29.700 -0.269 0.000 0.772 94 E HN 0.552 nan 8.360 nan 0.000 0.491 95 D N 0.303 120.681 120.400 -0.036 0.000 2.470 95 D HA -0.016 4.648 4.640 0.040 0.000 0.226 95 D C 0.076 176.462 176.300 0.144 0.000 1.196 95 D CA -0.192 53.828 54.000 0.033 0.000 0.979 95 D CB -0.058 40.769 40.800 0.046 0.000 1.059 95 D HN 0.125 nan 8.370 nan 0.000 0.515 96 c N 2.397 121.078 118.600 0.135 0.000 3.865 96 c HA 0.351 4.944 4.570 0.040 0.000 0.297 96 c C 0.704 174.926 174.090 0.221 0.000 1.758 96 c CA -0.658 55.799 56.329 0.214 0.000 1.778 96 c CB -1.219 41.331 42.510 0.066 0.000 3.158 96 c HN 0.436 nan 8.230 nan 0.000 0.598 97 L N 2.455 123.590 121.223 -0.147 0.000 2.384 97 L HA 0.383 4.747 4.340 0.040 0.000 0.258 97 L C -0.988 175.335 176.870 -0.911 0.000 1.266 97 L CA 0.569 55.073 54.840 -0.560 0.000 1.162 97 L CB -0.763 40.788 42.059 -0.847 0.000 1.375 97 L HN 0.407 nan 8.230 nan 0.000 0.420 98 Y N 1.838 122.105 120.300 -0.054 0.000 2.512 98 Y HA 0.592 5.166 4.550 0.040 0.000 0.348 98 Y C -0.124 175.933 175.900 0.262 0.000 0.990 98 Y CA -1.309 56.828 58.100 0.062 0.000 1.033 98 Y CB 2.072 40.529 38.460 -0.005 0.000 1.259 98 Y HN 0.196 nan 8.280 nan 0.000 0.461 99 L N 0.310 121.695 121.223 0.269 0.000 2.323 99 L HA 0.754 5.118 4.340 0.040 0.000 0.265 99 L C -1.167 175.697 176.870 -0.009 0.000 1.012 99 L CA -1.225 53.661 54.840 0.078 0.000 0.820 99 L CB 1.594 43.523 42.059 -0.215 0.000 1.334 99 L HN 0.476 nan 8.230 nan 0.000 0.427 100 N N 0.810 119.516 118.700 0.010 0.000 2.314 100 N HA 0.686 5.450 4.740 0.040 0.000 0.304 100 N C -1.380 174.018 175.510 -0.186 0.000 1.073 100 N CA -0.471 52.492 53.050 -0.146 0.000 0.822 100 N CB 2.819 41.222 38.487 -0.141 0.000 1.280 100 N HN 0.502 nan 8.380 nan 0.000 0.489 101 V N 1.481 121.218 119.914 -0.296 0.000 2.588 101 V HA 0.458 4.602 4.120 0.040 0.000 0.304 101 V C -0.717 175.311 176.094 -0.110 0.000 1.042 101 V CA -0.786 61.433 62.300 -0.136 0.000 0.877 101 V CB 2.135 33.742 31.823 -0.359 0.000 0.996 101 V HN 0.561 nan 8.190 nan 0.000 0.425 102 W N 2.806 124.208 121.300 0.170 0.000 2.573 102 W HA 0.677 5.361 4.660 0.041 0.000 0.326 102 W C 0.140 176.780 176.519 0.203 0.000 1.049 102 W CA -0.462 56.991 57.345 0.181 0.000 1.220 102 W CB 2.469 32.009 29.460 0.132 0.000 1.373 102 W HN 0.651 nan 8.180 nan 0.000 0.507 103 T N -0.117 114.710 114.554 0.455 0.000 2.883 103 T HA 0.542 4.916 4.350 0.040 0.000 0.296 103 T C -2.834 172.046 174.700 0.300 0.000 1.117 103 T CA -2.508 59.807 62.100 0.360 0.000 1.006 103 T CB 2.218 71.322 68.868 0.392 0.000 1.191 103 T HN -0.082 nan 8.240 nan 0.000 0.508 104 P HA 0.198 nan 4.420 nan 0.000 0.269 104 P C -1.540 175.899 177.300 0.232 0.000 1.215 104 P CA -0.168 63.052 63.100 0.200 0.000 0.780 104 P CB 0.066 31.852 31.700 0.144 0.000 0.898 105 Y N 3.979 124.336 120.300 0.095 0.000 2.345 105 Y HA 0.413 4.987 4.550 0.040 0.000 0.331 105 Y C -2.186 173.749 175.900 0.059 0.000 0.959 105 Y CA -2.542 55.605 58.100 0.079 0.000 1.204 105 Y CB 1.127 39.620 38.460 0.054 0.000 1.135 105 Y HN 0.319 nan 8.280 nan 0.000 0.477 106 P HA 0.213 nan 4.420 nan 0.000 0.277 106 P C -0.923 176.333 177.300 -0.073 0.000 1.240 106 P CA -0.620 62.309 63.100 -0.285 0.000 0.798 106 P CB 0.990 32.566 31.700 -0.207 0.000 0.979 107 R N 2.498 122.960 120.500 -0.064 0.000 2.543 107 R HA -0.064 4.300 4.340 0.040 0.000 0.280 107 R C -1.895 174.428 176.300 0.038 0.000 0.885 107 R CA -0.018 56.105 56.100 0.038 0.000 1.130 107 R CB -1.424 28.883 30.300 0.012 0.000 0.871 107 R HN 0.401 nan 8.270 nan 0.000 0.424 108 P HA -0.086 nan 4.420 nan 0.000 0.265 108 P C -0.345 176.976 177.300 0.034 0.000 1.187 108 P CA 0.676 63.811 63.100 0.059 0.000 0.766 108 P CB 0.821 32.568 31.700 0.078 0.000 0.820 109 A N 3.091 125.925 122.820 0.023 0.000 1.845 109 A HA -0.046 4.298 4.320 0.040 0.000 0.215 109 A C 0.987 178.578 177.584 0.012 0.000 1.195 109 A CA 1.851 53.895 52.037 0.011 0.000 0.616 109 A CB -1.052 17.953 19.000 0.009 0.000 0.832 109 A HN 0.641 nan 8.150 nan 0.000 0.443 110 S N -0.817 114.892 115.700 0.016 0.000 2.638 110 S HA 0.592 5.086 4.470 0.040 0.000 0.298 110 S C -3.007 171.605 174.600 0.021 0.000 1.111 110 S CA -1.830 56.378 58.200 0.013 0.000 1.027 110 S CB 0.928 64.133 63.200 0.008 0.000 1.064 110 S HN 0.063 nan 8.310 nan 0.000 0.525 111 P HA 0.045 nan 4.420 nan 0.000 0.255 111 P C -0.487 176.829 177.300 0.026 0.000 1.151 111 P CA 0.717 63.830 63.100 0.022 0.000 0.767 111 P CB -0.319 31.386 31.700 0.007 0.000 0.736 112 T N 5.726 120.307 114.554 0.046 0.000 2.902 112 T HA 0.416 4.790 4.350 0.040 0.000 0.283 112 T C -2.353 172.375 174.700 0.048 0.000 1.009 112 T CA -1.957 60.172 62.100 0.049 0.000 1.051 112 T CB 0.844 69.756 68.868 0.073 0.000 0.999 112 T HN 0.102 nan 8.240 nan 0.000 0.474 113 P HA 0.212 nan 4.420 nan 0.000 0.268 113 P C -0.929 176.410 177.300 0.065 0.000 1.205 113 P CA -0.299 62.819 63.100 0.031 0.000 0.771 113 P CB 0.430 32.132 31.700 0.003 0.000 0.858 114 V N 4.901 124.869 119.914 0.089 0.000 2.427 114 V HA 0.306 4.450 4.120 0.040 0.000 0.286 114 V C 0.290 176.461 176.094 0.129 0.000 1.034 114 V CA -0.461 61.915 62.300 0.127 0.000 0.893 114 V CB 1.078 32.991 31.823 0.151 0.000 0.982 114 V HN 0.355 nan 8.190 nan 0.000 0.452 115 L N 5.855 127.166 121.223 0.146 0.000 2.296 115 L HA 0.582 4.946 4.340 0.040 0.000 0.286 115 L C -0.538 176.560 176.870 0.380 0.000 1.023 115 L CA -0.258 54.679 54.840 0.162 0.000 0.812 115 L CB 1.562 43.581 42.059 -0.066 0.000 1.223 115 L HN 0.496 nan 8.230 nan 0.000 0.421 116 I N 3.052 123.885 120.570 0.438 0.000 2.330 116 I HA 0.200 4.394 4.170 0.040 0.000 0.289 116 I C -0.580 175.860 176.117 0.540 0.000 1.001 116 I CA -0.393 61.155 61.300 0.413 0.000 1.193 116 I CB 1.241 39.352 38.000 0.184 0.000 1.345 116 I HN 0.637 nan 8.210 nan 0.000 0.461 117 W N 8.623 130.079 121.300 0.260 0.000 2.351 117 W HA 0.566 5.250 4.660 0.039 0.000 0.311 117 W C -1.500 174.942 176.519 -0.128 0.000 1.168 117 W CA -0.639 56.636 57.345 -0.117 0.000 1.200 117 W CB 1.213 30.638 29.460 -0.059 0.000 1.221 117 W HN 0.361 nan 8.180 nan 0.000 0.519 118 I N 9.156 129.066 120.570 -1.100 0.000 2.420 118 I HA 0.076 4.270 4.170 0.040 0.000 0.282 118 I C -0.223 175.067 176.117 -1.379 0.000 1.019 118 I CA -1.092 59.621 61.300 -0.977 0.000 1.130 118 I CB 0.608 38.215 38.000 -0.655 0.000 1.262 118 I HN 0.303 nan 8.210 nan 0.000 0.454 119 Y N 4.454 124.211 120.300 -0.906 0.000 2.385 119 Y HA 0.663 5.237 4.550 0.040 0.000 0.346 119 Y C 0.817 176.531 175.900 -0.311 0.000 1.270 119 Y CA -0.674 57.037 58.100 -0.649 0.000 1.472 119 Y CB -0.057 38.270 38.460 -0.223 0.000 1.354 119 Y HN 0.502 nan 8.280 nan 0.000 0.611 120 G N -1.109 107.705 108.800 0.023 0.000 2.671 120 G HA2 0.494 4.478 3.960 0.040 0.000 0.275 120 G HA3 0.494 4.478 3.960 0.040 0.000 0.275 120 G C 0.244 175.126 174.900 -0.029 0.000 1.368 120 G CA -0.946 44.113 45.100 -0.069 0.000 1.044 120 G HN 1.716 nan 8.290 nan 0.000 0.543 121 G N -2.735 105.894 108.800 -0.285 0.000 2.223 121 G HA2 0.404 4.388 3.960 0.040 0.000 0.200 121 G HA3 0.404 4.388 3.960 0.040 0.000 0.200 121 G C 1.011 175.459 174.900 -0.753 0.000 1.061 121 G CA 0.680 45.492 45.100 -0.480 0.000 0.790 121 G HN 2.309 nan 8.290 nan 0.000 0.498 122 G N -0.343 107.986 108.800 -0.784 0.000 2.258 122 G HA2 -0.116 3.868 3.960 0.040 0.000 0.274 122 G HA3 -0.116 3.868 3.960 0.040 0.000 0.274 122 G C 0.915 175.542 174.900 -0.456 0.000 1.021 122 G CA 0.719 45.086 45.100 -1.223 0.000 0.798 122 G HN 1.771 nan 8.290 nan 0.000 0.507 123 F N -3.375 116.481 119.950 -0.156 0.000 2.987 123 F HA -0.334 4.217 4.527 0.040 0.000 0.309 123 F C 1.485 177.422 175.800 0.228 0.000 0.724 123 F CA 2.248 60.281 58.000 0.056 0.000 1.079 123 F CB -2.086 36.808 39.000 -0.176 0.000 1.432 123 F HN 0.914 nan 8.300 nan 0.000 0.351 124 Y N -1.138 119.265 120.300 0.172 0.000 2.453 124 Y HA 0.633 5.206 4.550 0.040 0.000 0.247 124 Y C 0.590 176.595 175.900 0.176 0.000 1.124 124 Y CA 0.299 58.542 58.100 0.237 0.000 1.243 124 Y CB 0.069 38.663 38.460 0.223 0.000 1.213 124 Y HN 0.079 nan 8.280 nan 0.000 0.523 125 S N -0.791 114.601 115.700 -0.513 0.000 2.672 125 S HA 0.881 5.375 4.470 0.040 0.000 0.271 125 S C -0.150 174.269 174.600 -0.302 0.000 1.171 125 S CA -0.500 57.445 58.200 -0.425 0.000 0.817 125 S CB 1.455 64.268 63.200 -0.644 0.000 1.150 125 S HN 1.374 nan 8.310 nan 0.000 0.478 126 G N -0.646 107.955 108.800 -0.332 0.000 2.497 126 G HA2 0.546 4.530 3.960 0.040 0.000 0.686 126 G HA3 0.546 4.530 3.960 0.040 0.000 0.686 126 G C -0.631 173.708 174.900 -0.935 0.000 1.288 126 G CA -0.262 44.508 45.100 -0.550 0.000 0.899 126 G HN 2.279 nan 8.290 nan 0.000 0.608 127 A N -1.282 120.785 122.820 -1.255 0.000 2.599 127 A HA 0.993 5.337 4.320 0.040 0.000 0.294 127 A C 0.489 177.797 177.584 -0.460 0.000 1.055 127 A CA 0.679 52.217 52.037 -0.831 0.000 0.683 127 A CB 0.795 19.548 19.000 -0.411 0.000 1.278 127 A HN 2.593 nan 8.150 nan 0.000 0.412 128 A N 0.270 123.065 122.820 -0.042 0.000 2.251 128 A HA 0.326 4.670 4.320 0.040 0.000 0.209 128 A C 1.582 179.143 177.584 -0.038 0.000 1.187 128 A CA 1.583 53.790 52.037 0.283 0.000 0.823 128 A CB -0.545 18.710 19.000 0.426 0.000 0.846 128 A HN 1.795 nan 8.150 nan 0.000 0.486 129 S N -0.492 114.938 115.700 -0.449 0.000 2.556 129 S HA 0.325 4.819 4.470 0.040 0.000 0.216 129 S C 0.487 174.643 174.600 -0.739 0.000 0.970 129 S CA -0.453 57.031 58.200 -1.193 0.000 0.912 129 S CB -0.558 61.946 63.200 -1.160 0.000 0.790 129 S HN 0.375 nan 8.310 nan 0.000 0.504 130 L N 2.374 123.295 121.223 -0.503 0.000 2.461 130 L HA 0.196 4.560 4.340 0.040 0.000 0.272 130 L C 1.109 177.638 176.870 -0.568 0.000 1.197 130 L CA -0.469 54.031 54.840 -0.566 0.000 0.836 130 L CB 0.237 41.838 42.059 -0.763 0.000 1.105 130 L HN 0.097 nan 8.230 nan 0.000 0.477 131 D N 1.302 121.419 120.400 -0.472 0.000 2.182 131 D HA -0.133 4.531 4.640 0.040 0.000 0.201 131 D C 1.969 178.001 176.300 -0.447 0.000 0.986 131 D CA 1.339 55.130 54.000 -0.348 0.000 0.847 131 D CB 0.050 40.691 40.800 -0.266 0.000 0.942 131 D HN 0.558 nan 8.370 nan 0.000 0.467 132 V N -0.994 118.509 119.914 -0.686 0.000 3.078 132 V HA -0.166 3.978 4.120 0.040 0.000 0.265 132 V C 1.044 176.577 176.094 -0.936 0.000 1.122 132 V CA 0.976 62.840 62.300 -0.728 0.000 1.141 132 V CB -1.216 30.149 31.823 -0.764 0.000 0.735 132 V HN 0.055 nan 8.190 nan 0.000 0.498 133 Y N 0.294 120.056 120.300 -0.897 0.000 2.683 133 Y HA 0.493 5.067 4.550 0.040 0.000 0.297 133 Y C 0.614 175.928 175.900 -0.976 0.000 1.147 133 Y CA -2.197 55.019 58.100 -1.473 0.000 1.274 133 Y CB -0.898 37.041 38.460 -0.868 0.000 1.143 133 Y HN 0.209 nan 8.280 nan 0.000 0.527 134 D N 0.556 120.631 120.400 -0.541 0.000 2.358 134 D HA 0.120 4.784 4.640 0.040 0.000 0.258 134 D C 1.414 177.380 176.300 -0.556 0.000 1.223 134 D CA 0.408 54.180 54.000 -0.380 0.000 0.886 134 D CB 1.440 42.160 40.800 -0.134 0.000 1.120 134 D HN 0.472 nan 8.370 nan 0.000 0.482 135 G N 4.275 112.126 108.800 -1.582 0.000 2.430 135 G HA2 -0.228 3.756 3.960 0.040 0.000 0.216 135 G HA3 -0.228 3.756 3.960 0.040 0.000 0.216 135 G C 1.474 175.821 174.900 -0.922 0.000 1.146 135 G CA 0.609 44.919 45.100 -1.317 0.000 0.793 135 G HN 0.625 nan 8.290 nan 0.000 0.537 136 R N -0.364 119.420 120.500 -1.194 0.000 2.312 136 R HA -0.344 4.020 4.340 0.040 0.000 0.233 136 R C 2.200 178.224 176.300 -0.460 0.000 1.097 136 R CA 2.808 58.510 56.100 -0.663 0.000 0.864 136 R CB -0.824 28.946 30.300 -0.883 0.000 0.987 136 R HN 0.396 nan 8.270 nan 0.000 0.405 137 F N 0.085 119.942 119.950 -0.155 0.000 2.146 137 F HA -0.070 4.482 4.527 0.041 0.000 0.298 137 F C 2.399 178.145 175.800 -0.089 0.000 1.096 137 F CA 1.048 58.987 58.000 -0.102 0.000 1.275 137 F CB -0.480 38.453 39.000 -0.112 0.000 1.008 137 F HN 0.058 nan 8.300 nan 0.000 0.480 138 L N -0.258 121.005 121.223 0.066 0.000 2.141 138 L HA -0.166 4.198 4.340 0.040 0.000 0.209 138 L C 2.682 179.565 176.870 0.022 0.000 1.094 138 L CA 0.957 55.797 54.840 -0.000 0.000 0.763 138 L CB -0.881 41.131 42.059 -0.078 0.000 0.908 138 L HN 0.184 nan 8.230 nan 0.000 0.437 139 A N -0.837 121.997 122.820 0.024 0.000 1.873 139 A HA -0.230 4.114 4.320 0.040 0.000 0.215 139 A C 2.294 179.925 177.584 0.078 0.000 1.186 139 A CA 1.524 53.613 52.037 0.087 0.000 0.616 139 A CB -0.448 18.641 19.000 0.149 0.000 0.823 139 A HN 0.366 nan 8.150 nan 0.000 0.442 140 Q N -0.168 119.660 119.800 0.047 0.000 2.062 140 Q HA -0.049 4.315 4.340 0.040 0.000 0.196 140 Q C 2.200 178.234 176.000 0.057 0.000 0.967 140 Q CA 1.886 57.721 55.803 0.053 0.000 0.832 140 Q CB -0.232 28.518 28.738 0.022 0.000 0.899 140 Q HN 0.404 nan 8.270 nan 0.000 0.442 141 V N 1.386 121.334 119.914 0.058 0.000 2.302 141 V HA -0.125 4.019 4.120 0.040 0.000 0.243 141 V C 1.873 177.986 176.094 0.032 0.000 1.036 141 V CA 1.632 63.959 62.300 0.046 0.000 1.020 141 V CB -0.294 31.556 31.823 0.044 0.000 0.657 141 V HN 0.233 nan 8.190 nan 0.000 0.453 142 E N -0.082 120.135 120.200 0.027 0.000 2.479 142 E HA 0.161 4.535 4.350 0.040 0.000 0.193 142 E C 1.748 178.367 176.600 0.032 0.000 1.049 142 E CA 0.744 57.156 56.400 0.019 0.000 0.870 142 E CB 0.245 29.947 29.700 0.004 0.000 0.944 142 E HN 0.650 nan 8.360 nan 0.000 0.492 143 G N 1.436 110.265 108.800 0.048 0.000 2.153 143 G HA2 -0.320 3.664 3.960 0.040 0.000 0.252 143 G HA3 -0.320 3.664 3.960 0.040 0.000 0.252 143 G C 0.511 175.454 174.900 0.071 0.000 0.994 143 G CA 0.413 45.550 45.100 0.062 0.000 0.698 143 G HN 0.499 nan 8.290 nan 0.000 0.521 144 A N -0.718 122.144 122.820 0.070 0.000 2.322 144 A HA 0.724 5.068 4.320 0.040 0.000 0.269 144 A C 0.501 178.166 177.584 0.135 0.000 1.094 144 A CA 0.077 52.163 52.037 0.081 0.000 0.807 144 A CB 1.203 20.232 19.000 0.049 0.000 1.047 144 A HN 1.099 nan 8.150 nan 0.000 0.487 145 V N 2.561 122.564 119.914 0.149 0.000 2.407 145 V HA 0.403 4.547 4.120 0.040 0.000 0.278 145 V C -0.147 176.079 176.094 0.220 0.000 1.037 145 V CA -0.116 62.304 62.300 0.202 0.000 0.900 145 V CB 0.873 32.807 31.823 0.184 0.000 0.983 145 V HN 0.724 nan 8.190 nan 0.000 0.459 146 L N 6.247 127.658 121.223 0.313 0.000 2.381 146 L HA 0.740 5.104 4.340 0.040 0.000 0.274 146 L C -0.812 176.358 176.870 0.500 0.000 0.988 146 L CA -0.217 54.853 54.840 0.383 0.000 0.824 146 L CB 1.880 44.156 42.059 0.362 0.000 1.263 146 L HN 0.443 nan 8.230 nan 0.000 0.410 147 V N 3.032 123.207 119.914 0.435 0.000 2.667 147 V HA 0.784 4.928 4.120 0.040 0.000 0.308 147 V C -0.384 175.983 176.094 0.455 0.000 1.048 147 V CA -0.380 62.137 62.300 0.361 0.000 0.928 147 V CB 2.028 33.979 31.823 0.213 0.000 1.004 147 V HN 0.861 nan 8.190 nan 0.000 0.444 148 S N 4.656 120.603 115.700 0.412 0.000 2.546 148 S HA 0.825 5.319 4.470 0.040 0.000 0.272 148 S C -0.937 173.826 174.600 0.273 0.000 1.140 148 S CA -0.837 57.616 58.200 0.421 0.000 0.920 148 S CB 2.109 65.698 63.200 0.648 0.000 1.083 148 S HN 0.871 nan 8.310 nan 0.000 0.476 149 M N 1.447 121.169 119.600 0.204 0.000 2.602 149 M HA 0.664 5.168 4.480 0.040 0.000 0.312 149 M C -1.562 174.957 176.300 0.365 0.000 1.181 149 M CA -0.542 54.871 55.300 0.188 0.000 0.910 149 M CB 1.082 33.630 32.600 -0.088 0.000 1.723 149 M HN 0.558 nan 8.290 nan 0.000 0.459 150 N N 2.180 121.152 118.700 0.453 0.000 2.515 150 N HA 0.606 5.370 4.740 0.040 0.000 0.279 150 N C -1.353 174.442 175.510 0.474 0.000 1.164 150 N CA 0.094 53.427 53.050 0.472 0.000 0.982 150 N CB 0.723 39.413 38.487 0.339 0.000 1.170 150 N HN 0.744 nan 8.380 nan 0.000 0.474 151 Y N -2.170 118.288 120.300 0.264 0.000 2.562 151 Y HA 0.558 5.132 4.550 0.040 0.000 0.345 151 Y C -0.152 175.871 175.900 0.205 0.000 1.045 151 Y CA -1.325 56.889 58.100 0.190 0.000 1.028 151 Y CB 0.861 39.373 38.460 0.088 0.000 1.297 151 Y HN 0.206 nan 8.280 nan 0.000 0.463 152 R N 1.823 122.436 120.500 0.188 0.000 2.590 152 R HA 0.509 4.873 4.340 0.040 0.000 0.274 152 R C -0.315 176.105 176.300 0.200 0.000 1.061 152 R CA -0.200 55.974 56.100 0.124 0.000 1.081 152 R CB 0.836 31.195 30.300 0.098 0.000 0.984 152 R HN 0.716 nan 8.270 nan 0.000 0.448 153 V N -0.369 119.715 119.914 0.283 0.000 3.158 153 V HA 0.865 5.009 4.120 0.040 0.000 0.315 153 V C 0.800 177.231 176.094 0.561 0.000 1.148 153 V CA -0.213 62.371 62.300 0.473 0.000 1.042 153 V CB 1.167 33.159 31.823 0.281 0.000 1.101 153 V HN 0.963 nan 8.190 nan 0.000 0.448 154 G N 1.841 111.023 108.800 0.637 0.000 2.581 154 G HA2 -0.316 3.668 3.960 0.040 0.000 0.291 154 G HA3 -0.316 3.668 3.960 0.040 0.000 0.291 154 G C 1.058 176.132 174.900 0.290 0.000 1.277 154 G CA 1.746 47.166 45.100 0.532 0.000 0.959 154 G HN 2.337 nan 8.290 nan 0.000 0.554 155 T N -1.612 112.841 114.554 -0.168 0.000 2.699 155 T HA -0.157 4.217 4.350 0.040 0.000 0.268 155 T C 2.113 176.681 174.700 -0.220 0.000 1.036 155 T CA 2.690 64.425 62.100 -0.609 0.000 1.147 155 T CB -0.469 67.899 68.868 -0.834 0.000 0.862 155 T HN 0.581 nan 8.240 nan 0.000 0.446 156 F N 2.353 122.386 119.950 0.137 0.000 2.126 156 F HA 0.157 4.708 4.527 0.040 0.000 0.299 156 F C 2.891 178.709 175.800 0.029 0.000 1.096 156 F CA 1.010 59.044 58.000 0.057 0.000 1.255 156 F CB -1.176 37.820 39.000 -0.006 0.000 0.997 156 F HN 0.364 nan 8.300 nan 0.000 0.479 157 G N -2.057 106.826 108.800 0.139 0.000 2.603 157 G HA2 -0.026 3.958 3.960 0.040 0.000 0.214 157 G HA3 -0.026 3.958 3.960 0.040 0.000 0.214 157 G C 0.857 175.327 174.900 -0.716 0.000 1.140 157 G CA 0.343 45.239 45.100 -0.340 0.000 0.800 157 G HN 0.369 nan 8.290 nan 0.000 0.533 158 F N -0.862 119.203 119.950 0.192 0.000 2.915 158 F HA 0.421 4.972 4.527 0.040 0.000 0.347 158 F C 0.401 176.315 175.800 0.190 0.000 1.104 158 F CA -1.032 57.066 58.000 0.164 0.000 1.126 158 F CB 0.265 39.374 39.000 0.182 0.000 1.145 158 F HN -0.095 nan 8.300 nan 0.000 0.541 159 L N 2.106 123.414 121.223 0.141 0.000 2.455 159 L HA 0.568 4.932 4.340 0.040 0.000 0.272 159 L C -0.045 176.824 176.870 -0.001 0.000 1.174 159 L CA 0.037 54.863 54.840 -0.024 0.000 0.869 159 L CB 0.588 42.318 42.059 -0.548 0.000 1.130 159 L HN 0.130 nan 8.230 nan 0.000 0.474 160 A N 6.218 129.076 122.820 0.063 0.000 2.427 160 A HA 0.605 4.949 4.320 0.040 0.000 0.298 160 A C -1.169 176.413 177.584 -0.004 0.000 1.036 160 A CA -0.562 51.488 52.037 0.022 0.000 0.701 160 A CB 1.193 20.237 19.000 0.073 0.000 1.250 160 A HN 0.688 nan 8.150 nan 0.000 0.412 161 L N 3.714 124.915 121.223 -0.037 0.000 2.360 161 L HA 0.324 4.688 4.340 0.040 0.000 0.265 161 L C -2.353 174.515 176.870 -0.003 0.000 1.066 161 L CA -1.790 53.035 54.840 -0.024 0.000 0.929 161 L CB 1.244 43.277 42.059 -0.044 0.000 1.306 161 L HN 0.408 nan 8.230 nan 0.000 0.434 162 P HA 0.034 nan 4.420 nan 0.000 0.264 162 P C 0.956 178.264 177.300 0.014 0.000 1.183 162 P CA 0.697 63.807 63.100 0.016 0.000 0.763 162 P CB 0.803 32.512 31.700 0.015 0.000 0.807 163 G N 1.380 110.192 108.800 0.021 0.000 2.176 163 G HA2 -0.235 3.749 3.960 0.040 0.000 0.253 163 G HA3 -0.235 3.749 3.960 0.040 0.000 0.253 163 G C 0.441 175.352 174.900 0.018 0.000 0.979 163 G CA 0.359 45.470 45.100 0.019 0.000 0.641 163 G HN 0.812 nan 8.290 nan 0.000 0.530 164 S N -1.162 114.549 115.700 0.017 0.000 2.713 164 S HA 0.730 5.224 4.470 0.040 0.000 0.277 164 S C 1.179 175.796 174.600 0.027 0.000 1.168 164 S CA 0.214 58.425 58.200 0.017 0.000 0.994 164 S CB 1.992 65.197 63.200 0.009 0.000 1.054 164 S HN 0.312 nan 8.310 nan 0.000 0.555 165 R N -0.444 120.074 120.500 0.029 0.000 2.167 165 R HA 0.176 4.540 4.340 0.040 0.000 0.201 165 R C 1.287 177.616 176.300 0.048 0.000 1.024 165 R CA 0.618 56.741 56.100 0.037 0.000 1.053 165 R CB -0.168 30.152 30.300 0.033 0.000 0.987 165 R HN 0.765 nan 8.270 nan 0.000 0.493 166 E N -0.345 119.885 120.200 0.049 0.000 2.385 166 E HA 0.140 4.514 4.350 0.040 0.000 0.194 166 E C -0.280 176.380 176.600 0.099 0.000 1.013 166 E CA 0.521 56.965 56.400 0.073 0.000 0.866 166 E CB 1.103 30.846 29.700 0.072 0.000 0.832 166 E HN 0.212 nan 8.360 nan 0.000 0.500 167 A N 1.040 123.895 122.820 0.058 0.000 3.156 167 A HA 0.304 4.648 4.320 0.040 0.000 0.311 167 A C -2.295 175.307 177.584 0.029 0.000 1.129 167 A CA -0.952 51.112 52.037 0.044 0.000 0.809 167 A CB 0.570 19.522 19.000 -0.080 0.000 1.257 167 A HN -0.088 nan 8.150 nan 0.000 0.491 168 P HA 0.218 nan 4.420 nan 0.000 0.245 168 P C 0.910 178.244 177.300 0.056 0.000 1.206 168 P CA 1.467 64.598 63.100 0.052 0.000 0.781 168 P CB 0.251 31.989 31.700 0.064 0.000 0.994 169 G N 1.116 109.950 108.800 0.057 0.000 2.795 169 G HA2 -0.220 3.764 3.960 0.040 0.000 0.664 169 G HA3 -0.220 3.764 3.960 0.040 0.000 0.664 169 G C -0.025 174.901 174.900 0.044 0.000 1.381 169 G CA -0.246 44.895 45.100 0.068 0.000 0.853 169 G HN 0.161 nan 8.290 nan 0.000 0.545 170 N N -2.454 116.279 118.700 0.055 0.000 2.753 170 N HA -0.284 4.480 4.740 0.040 0.000 0.251 170 N C 1.862 177.267 175.510 -0.175 0.000 1.097 170 N CA 2.383 55.407 53.050 -0.043 0.000 0.786 170 N CB -1.669 36.723 38.487 -0.160 0.000 1.137 170 N HN 1.904 nan 8.380 nan 0.000 0.566 171 V N -2.608 117.198 119.914 -0.179 0.000 2.490 171 V HA -0.027 4.117 4.120 0.040 0.000 0.250 171 V C 2.352 178.334 176.094 -0.186 0.000 1.061 171 V CA 2.330 64.553 62.300 -0.129 0.000 1.064 171 V CB -0.969 30.827 31.823 -0.045 0.000 0.670 171 V HN 0.268 nan 8.190 nan 0.000 0.461 172 G N 0.496 108.993 108.800 -0.505 0.000 2.422 172 G HA2 -0.161 3.823 3.960 0.040 0.000 0.218 172 G HA3 -0.161 3.823 3.960 0.040 0.000 0.218 172 G C 1.564 176.463 174.900 -0.003 0.000 1.146 172 G CA 1.220 46.160 45.100 -0.267 0.000 0.769 172 G HN 0.544 nan 8.290 nan 0.000 0.547 173 L N -0.153 121.023 121.223 -0.079 0.000 2.093 173 L HA 0.054 4.418 4.340 0.040 0.000 0.208 173 L C 2.851 179.732 176.870 0.018 0.000 1.085 173 L CA 0.381 55.124 54.840 -0.162 0.000 0.755 173 L CB -0.316 41.316 42.059 -0.712 0.000 0.904 173 L HN 0.179 nan 8.230 nan 0.000 0.435 174 L N -0.517 120.720 121.223 0.023 0.000 2.093 174 L HA -0.211 4.153 4.340 0.040 0.000 0.208 174 L C 2.210 179.199 176.870 0.199 0.000 1.085 174 L CA 0.939 55.890 54.840 0.185 0.000 0.755 174 L CB -0.655 41.497 42.059 0.155 0.000 0.904 174 L HN 0.280 nan 8.230 nan 0.000 0.435 175 D N -0.028 120.480 120.400 0.180 0.000 2.133 175 D HA -0.224 4.440 4.640 0.040 0.000 0.195 175 D C 2.273 178.717 176.300 0.239 0.000 0.997 175 D CA 1.245 55.426 54.000 0.301 0.000 0.840 175 D CB -0.174 40.820 40.800 0.324 0.000 0.947 175 D HN 0.415 nan 8.370 nan 0.000 0.452 176 Q N 0.023 119.902 119.800 0.132 0.000 2.020 176 Q HA -0.107 4.257 4.340 0.040 0.000 0.202 176 Q C 2.310 178.288 176.000 -0.035 0.000 0.982 176 Q CA 1.011 56.812 55.803 -0.002 0.000 0.838 176 Q CB -0.091 28.658 28.738 0.017 0.000 0.899 176 Q HN 0.190 nan 8.270 nan 0.000 0.423 177 R N 0.579 121.162 120.500 0.138 0.000 2.103 177 R HA -0.209 4.155 4.340 0.040 0.000 0.242 177 R C 2.191 178.540 176.300 0.082 0.000 1.142 177 R CA 1.205 57.377 56.100 0.120 0.000 0.960 177 R CB -0.269 30.212 30.300 0.302 0.000 0.858 177 R HN 0.214 nan 8.270 nan 0.000 0.439 178 L N 0.656 121.955 121.223 0.127 0.000 2.046 178 L HA -0.072 4.292 4.340 0.040 0.000 0.208 178 L C 2.324 179.204 176.870 0.017 0.000 1.077 178 L CA 2.149 57.088 54.840 0.164 0.000 0.747 178 L CB -0.703 41.556 42.059 0.334 0.000 0.896 178 L HN 0.270 nan 8.230 nan 0.000 0.432 179 A N -1.107 121.498 122.820 -0.358 0.000 1.978 179 A HA -0.174 4.170 4.320 0.040 0.000 0.220 179 A C 2.117 179.629 177.584 -0.119 0.000 1.170 179 A CA 1.799 53.483 52.037 -0.589 0.000 0.636 179 A CB -0.716 17.763 19.000 -0.869 0.000 0.810 179 A HN 0.416 nan 8.150 nan 0.000 0.448 180 L N -0.959 120.215 121.223 -0.081 0.000 2.072 180 L HA -0.116 4.248 4.340 0.040 0.000 0.205 180 L C 2.583 179.497 176.870 0.074 0.000 1.079 180 L CA 2.167 57.000 54.840 -0.013 0.000 0.752 180 L CB -0.939 41.071 42.059 -0.082 0.000 0.906 180 L HN 0.495 nan 8.230 nan 0.000 0.436 181 Q N -1.668 118.187 119.800 0.091 0.000 2.124 181 Q HA -0.258 4.106 4.340 0.040 0.000 0.202 181 Q C 2.131 178.217 176.000 0.142 0.000 0.977 181 Q CA 1.731 57.597 55.803 0.107 0.000 0.850 181 Q CB -0.476 28.330 28.738 0.113 0.000 0.901 181 Q HN 0.506 nan 8.270 nan 0.000 0.429 182 W N -0.840 120.467 121.300 0.013 0.000 2.355 182 W HA -0.191 4.493 4.660 0.040 0.000 0.309 182 W C 1.775 178.319 176.519 0.042 0.000 1.206 182 W CA 1.696 59.066 57.345 0.043 0.000 1.284 182 W CB -0.252 29.227 29.460 0.032 0.000 1.145 182 W HN -0.020 nan 8.180 nan 0.000 0.502 183 V N 0.945 121.105 119.914 0.412 0.000 2.287 183 V HA -0.378 3.766 4.120 0.040 0.000 0.248 183 V C 2.535 178.667 176.094 0.064 0.000 1.053 183 V CA 2.172 64.629 62.300 0.261 0.000 1.027 183 V CB -1.115 30.851 31.823 0.238 0.000 0.646 183 V HN 0.241 nan 8.190 nan 0.000 0.447 184 Q N -0.280 119.556 119.800 0.059 0.000 2.135 184 Q HA -0.233 4.131 4.340 0.040 0.000 0.204 184 Q C 2.190 178.167 176.000 -0.039 0.000 0.981 184 Q CA 1.698 57.518 55.803 0.028 0.000 0.856 184 Q CB -0.222 28.539 28.738 0.037 0.000 0.902 184 Q HN 0.729 nan 8.270 nan 0.000 0.425 185 E N -0.544 119.591 120.200 -0.109 0.000 2.299 185 E HA -0.002 4.372 4.350 0.040 0.000 0.193 185 E C 1.216 177.649 176.600 -0.279 0.000 0.998 185 E CA 0.258 56.552 56.400 -0.177 0.000 0.851 185 E CB 0.339 29.927 29.700 -0.186 0.000 0.795 185 E HN 0.291 nan 8.360 nan 0.000 0.492 186 N N -0.342 118.113 118.700 -0.409 0.000 2.325 186 N HA 0.019 4.783 4.740 0.040 0.000 0.220 186 N C 1.449 176.879 175.510 -0.132 0.000 1.176 186 N CA 0.041 52.808 53.050 -0.473 0.000 0.861 186 N CB 0.455 38.217 38.487 -1.209 0.000 1.230 186 N HN 0.025 nan 8.380 nan 0.000 0.479 187 I N 2.737 123.286 120.570 -0.035 0.000 2.335 187 I HA -0.153 4.041 4.170 0.040 0.000 0.251 187 I C 2.229 178.468 176.117 0.203 0.000 1.129 187 I CA 0.746 62.158 61.300 0.187 0.000 1.402 187 I CB -0.408 37.677 38.000 0.142 0.000 1.069 187 I HN 0.083 nan 8.210 nan 0.000 0.424 188 A N 0.479 123.343 122.820 0.073 0.000 1.940 188 A HA -0.305 4.039 4.320 0.040 0.000 0.221 188 A C 2.470 180.063 177.584 0.016 0.000 1.190 188 A CA 2.280 54.339 52.037 0.036 0.000 0.647 188 A CB -1.386 17.608 19.000 -0.011 0.000 0.821 188 A HN 0.527 nan 8.150 nan 0.000 0.457 189 A N -2.165 120.633 122.820 -0.037 0.000 2.125 189 A HA 0.123 4.467 4.320 0.040 0.000 0.219 189 A C 1.592 178.989 177.584 -0.311 0.000 1.156 189 A CA 1.233 53.152 52.037 -0.197 0.000 0.671 189 A CB -0.626 18.181 19.000 -0.323 0.000 0.794 189 A HN 0.512 nan 8.150 nan 0.000 0.459 190 F N -1.619 118.290 119.950 -0.068 0.000 2.727 190 F HA 0.370 4.921 4.527 0.040 0.000 0.302 190 F C 1.873 177.682 175.800 0.016 0.000 1.097 190 F CA 0.633 58.603 58.000 -0.049 0.000 1.330 190 F CB 0.423 39.410 39.000 -0.022 0.000 1.084 190 F HN 0.338 nan 8.300 nan 0.000 0.578 191 G N -0.045 108.843 108.800 0.147 0.000 2.195 191 G HA2 -0.195 3.789 3.960 0.040 0.000 0.224 191 G HA3 -0.195 3.789 3.960 0.040 0.000 0.224 191 G C 0.820 175.790 174.900 0.117 0.000 0.990 191 G CA -0.325 44.840 45.100 0.108 0.000 0.639 191 G HN 0.691 nan 8.290 nan 0.000 0.514 192 G N -0.215 108.681 108.800 0.159 0.000 2.636 192 G HA2 0.409 4.393 3.960 0.040 0.000 0.246 192 G HA3 0.409 4.393 3.960 0.040 0.000 0.246 192 G C -0.547 174.406 174.900 0.089 0.000 1.216 192 G CA 0.619 45.798 45.100 0.132 0.000 0.854 192 G HN 0.302 nan 8.290 nan 0.000 0.572 193 D N 0.896 121.340 120.400 0.073 0.000 2.460 193 D HA 0.305 4.969 4.640 0.040 0.000 0.232 193 D C -1.213 175.122 176.300 0.059 0.000 1.079 193 D CA -2.346 51.680 54.000 0.043 0.000 0.864 193 D CB 1.769 42.577 40.800 0.013 0.000 1.048 193 D HN 0.024 nan 8.370 nan 0.000 0.523 194 P HA -0.105 nan 4.420 nan 0.000 0.223 194 P C 1.199 178.597 177.300 0.163 0.000 1.144 194 P CA 0.836 63.999 63.100 0.106 0.000 0.783 194 P CB 0.101 31.844 31.700 0.071 0.000 0.771 195 M N -1.567 118.055 119.600 0.036 0.000 2.561 195 M HA 0.102 4.606 4.480 0.040 0.000 0.238 195 M C 0.677 176.606 176.300 -0.619 0.000 1.131 195 M CA 0.574 55.785 55.300 -0.148 0.000 1.046 195 M CB 0.006 32.525 32.600 -0.135 0.000 1.532 195 M HN -0.156 nan 8.290 nan 0.000 0.497 196 S N 1.207 116.764 115.700 -0.239 0.000 2.389 196 S HA 0.448 4.942 4.470 0.040 0.000 0.201 196 S C -1.017 173.661 174.600 0.131 0.000 1.422 196 S CA -0.460 57.638 58.200 -0.171 0.000 1.216 196 S CB 0.608 63.733 63.200 -0.126 0.000 1.130 196 S HN 0.036 nan 8.310 nan 0.000 0.465 197 V N 4.130 124.315 119.914 0.452 0.000 2.409 197 V HA 0.555 4.699 4.120 0.040 0.000 0.291 197 V C -0.134 176.135 176.094 0.292 0.000 1.020 197 V CA -0.448 62.048 62.300 0.328 0.000 0.848 197 V CB 2.026 34.033 31.823 0.306 0.000 0.990 197 V HN 0.757 nan 8.190 nan 0.000 0.430 198 T N 6.483 121.157 114.554 0.200 0.000 2.772 198 T HA 0.567 4.941 4.350 0.040 0.000 0.288 198 T C -0.225 174.611 174.700 0.227 0.000 0.994 198 T CA -0.379 61.837 62.100 0.194 0.000 0.951 198 T CB 0.807 69.734 68.868 0.097 0.000 0.933 198 T HN 0.329 nan 8.240 nan 0.000 0.447 199 L N 4.894 126.229 121.223 0.187 0.000 2.349 199 L HA 0.640 5.004 4.340 0.040 0.000 0.275 199 L C -0.171 176.909 176.870 0.351 0.000 1.115 199 L CA -0.650 54.266 54.840 0.126 0.000 0.820 199 L CB 0.255 42.159 42.059 -0.258 0.000 1.135 199 L HN 0.724 nan 8.230 nan 0.000 0.445 200 F N 0.434 120.457 119.950 0.121 0.000 2.619 200 F HA 0.911 5.462 4.527 0.040 0.000 0.308 200 F C -0.276 175.554 175.800 0.050 0.000 1.097 200 F CA -0.654 57.477 58.000 0.219 0.000 0.953 200 F CB 2.136 41.399 39.000 0.439 0.000 1.287 200 F HN 0.501 nan 8.300 nan 0.000 0.446 201 G N 1.529 110.225 108.800 -0.173 0.000 2.576 201 G HA2 0.467 4.451 3.960 0.040 0.000 0.290 201 G HA3 0.467 4.451 3.960 0.040 0.000 0.290 201 G C -2.668 172.052 174.900 -0.300 0.000 1.442 201 G CA -0.722 43.887 45.100 -0.818 0.000 0.792 201 G HN 0.809 nan 8.290 nan 0.000 0.491 202 E N 0.185 120.161 120.200 -0.373 0.000 2.266 202 E HA 0.632 5.006 4.350 0.040 0.000 0.268 202 E C 0.684 177.254 176.600 -0.051 0.000 0.879 202 E CA 0.238 56.632 56.400 -0.011 0.000 0.762 202 E CB 2.241 32.077 29.700 0.227 0.000 1.199 202 E HN 0.834 nan 8.360 nan 0.000 0.422 203 S N 2.614 118.349 115.700 0.058 0.000 4.112 203 S HA -0.408 4.086 4.470 0.040 0.000 0.602 203 S C 1.511 176.222 174.600 0.184 0.000 1.939 203 S CA 2.337 60.653 58.200 0.194 0.000 4.230 203 S CB -1.523 61.785 63.200 0.181 0.000 0.245 203 S HN 0.933 nan 8.310 nan 0.000 0.530 204 A N 0.989 123.788 122.820 -0.034 0.000 1.978 204 A HA 0.090 4.434 4.320 0.040 0.000 0.220 204 A C 2.512 179.845 177.584 -0.418 0.000 1.170 204 A CA 2.567 54.379 52.037 -0.375 0.000 0.636 204 A CB -1.618 16.777 19.000 -1.009 0.000 0.810 204 A HN 1.594 nan 8.150 nan 0.000 0.448 205 G N -0.676 107.926 108.800 -0.330 0.000 2.422 205 G HA2 0.021 4.005 3.960 0.040 0.000 0.218 205 G HA3 0.021 4.005 3.960 0.040 0.000 0.218 205 G C 1.703 176.431 174.900 -0.287 0.000 1.146 205 G CA 1.340 46.191 45.100 -0.416 0.000 0.769 205 G HN 0.783 nan 8.290 nan 0.000 0.547 206 A N 1.255 123.992 122.820 -0.139 0.000 1.873 206 A HA 0.314 4.658 4.320 0.040 0.000 0.215 206 A C 2.827 180.408 177.584 -0.005 0.000 1.186 206 A CA 2.124 54.142 52.037 -0.031 0.000 0.616 206 A CB -0.841 18.198 19.000 0.065 0.000 0.823 206 A HN 0.781 nan 8.150 nan 0.000 0.442 207 A N -0.479 122.366 122.820 0.042 0.000 1.940 207 A HA -0.099 4.245 4.320 0.040 0.000 0.219 207 A C 2.429 180.030 177.584 0.029 0.000 1.176 207 A CA 2.157 54.213 52.037 0.031 0.000 0.631 207 A CB -0.819 18.222 19.000 0.067 0.000 0.814 207 A HN 0.451 nan 8.150 nan 0.000 0.446 208 S N -0.538 115.166 115.700 0.007 0.000 2.348 208 S HA -0.130 4.364 4.470 0.040 0.000 0.221 208 S C 1.920 176.465 174.600 -0.091 0.000 1.033 208 S CA 1.394 59.549 58.200 -0.074 0.000 1.010 208 S CB -0.527 62.566 63.200 -0.177 0.000 0.891 208 S HN 0.357 nan 8.310 nan 0.000 0.442 209 V N 1.806 121.692 119.914 -0.047 0.000 2.324 209 V HA -0.206 3.938 4.120 0.040 0.000 0.250 209 V C 2.615 178.712 176.094 0.006 0.000 1.060 209 V CA 2.023 64.311 62.300 -0.021 0.000 1.042 209 V CB -1.547 30.242 31.823 -0.056 0.000 0.650 209 V HN 0.604 nan 8.190 nan 0.000 0.450 210 G N -0.981 107.817 108.800 -0.003 0.000 2.440 210 G HA2 -0.296 3.688 3.960 0.040 0.000 0.218 210 G HA3 -0.296 3.688 3.960 0.040 0.000 0.218 210 G C 1.622 176.546 174.900 0.040 0.000 1.154 210 G CA 1.195 46.301 45.100 0.010 0.000 0.767 210 G HN 0.456 nan 8.290 nan 0.000 0.552 211 M N -0.248 119.352 119.600 0.000 0.000 2.254 211 M HA 0.033 4.537 4.480 0.040 0.000 0.265 211 M C 2.309 178.668 176.300 0.097 0.000 1.066 211 M CA 0.797 56.125 55.300 0.046 0.000 1.123 211 M CB -0.206 32.403 32.600 0.014 0.000 1.388 211 M HN 0.222 nan 8.290 nan 0.000 0.425 212 H N -0.043 119.138 119.070 0.185 0.000 2.423 212 H HA -0.037 4.543 4.556 0.040 0.000 0.297 212 H C 2.125 177.663 175.328 0.349 0.000 1.075 212 H CA 1.426 57.594 56.048 0.199 0.000 1.342 212 H CB -0.367 29.374 29.762 -0.035 0.000 1.395 212 H HN 0.417 nan 8.280 nan 0.000 0.530 213 I N 0.741 121.578 120.570 0.444 0.000 2.208 213 I HA -0.247 3.947 4.170 0.040 0.000 0.245 213 I C 1.902 178.204 176.117 0.308 0.000 1.097 213 I CA 1.127 62.700 61.300 0.454 0.000 1.363 213 I CB -0.124 38.057 38.000 0.302 0.000 1.051 213 I HN 0.119 nan 8.210 nan 0.000 0.413 214 L N -0.702 120.652 121.223 0.219 0.000 2.591 214 L HA 0.088 4.452 4.340 0.040 0.000 0.228 214 L C 0.818 177.725 176.870 0.061 0.000 1.133 214 L CA 0.048 54.985 54.840 0.163 0.000 0.880 214 L CB -0.015 42.124 42.059 0.135 0.000 1.033 214 L HN 0.030 nan 8.230 nan 0.000 0.450 215 S N -0.203 115.502 115.700 0.009 0.000 2.640 215 S HA 0.224 4.718 4.470 0.040 0.000 0.320 215 S C 0.587 175.114 174.600 -0.122 0.000 1.097 215 S CA -0.648 57.440 58.200 -0.187 0.000 1.092 215 S CB 1.404 64.228 63.200 -0.627 0.000 0.988 215 S HN 0.167 nan 8.310 nan 0.000 0.470 216 L N 7.682 128.840 121.223 -0.109 0.000 2.043 216 L HA 0.079 4.443 4.340 0.040 0.000 0.212 216 L C -1.159 175.670 176.870 -0.068 0.000 1.075 216 L CA 2.258 57.053 54.840 -0.074 0.000 0.752 216 L CB -1.166 40.852 42.059 -0.069 0.000 0.891 216 L HN 0.480 nan 8.230 nan 0.000 0.432 217 P HA -0.080 nan 4.420 nan 0.000 0.218 217 P C 1.792 179.092 177.300 -0.001 0.000 1.149 217 P CA 1.428 64.497 63.100 -0.050 0.000 0.817 217 P CB -0.001 31.660 31.700 -0.065 0.000 0.785 218 S N -0.825 114.892 115.700 0.028 0.000 2.428 218 S HA -0.060 4.434 4.470 0.040 0.000 0.230 218 S C 1.834 176.553 174.600 0.199 0.000 1.014 218 S CA 0.695 59.010 58.200 0.191 0.000 0.957 218 S CB -0.454 62.983 63.200 0.395 0.000 0.784 218 S HN 0.082 nan 8.310 nan 0.000 0.499 219 R N 1.820 122.344 120.500 0.040 0.000 2.159 219 R HA -0.003 4.361 4.340 0.040 0.000 0.237 219 R C 2.023 178.149 176.300 -0.290 0.000 1.131 219 R CA 1.213 57.198 56.100 -0.192 0.000 0.982 219 R CB -1.080 29.133 30.300 -0.145 0.000 0.868 219 R HN 0.555 nan 8.270 nan 0.000 0.453 220 S N -0.424 115.191 115.700 -0.142 0.000 2.660 220 S HA 0.176 4.670 4.470 0.040 0.000 0.227 220 S C 1.409 175.937 174.600 -0.121 0.000 0.948 220 S CA -0.208 57.906 58.200 -0.143 0.000 0.948 220 S CB -0.118 63.039 63.200 -0.071 0.000 0.779 220 S HN 0.188 nan 8.310 nan 0.000 0.487 221 L N 0.189 121.365 121.223 -0.079 0.000 2.731 221 L HA 0.513 4.877 4.340 0.040 0.000 0.240 221 L C -0.040 176.868 176.870 0.064 0.000 1.120 221 L CA -0.318 54.538 54.840 0.026 0.000 0.913 221 L CB 0.203 42.326 42.059 0.105 0.000 1.213 221 L HN 0.539 nan 8.230 nan 0.000 0.515 222 F N -3.864 115.894 119.950 -0.320 0.000 2.711 222 F HA 0.494 5.045 4.527 0.040 0.000 0.313 222 F C 0.449 175.898 175.800 -0.585 0.000 1.141 222 F CA -0.950 56.823 58.000 -0.378 0.000 0.941 222 F CB 0.839 39.768 39.000 -0.118 0.000 1.349 222 F HN -0.137 nan 8.300 nan 0.000 0.464 223 H N -0.628 118.486 119.070 0.072 0.000 3.205 223 H HA 0.450 5.030 4.556 0.040 0.000 0.252 223 H C -0.128 175.217 175.328 0.028 0.000 1.015 223 H CA -0.045 55.970 56.048 -0.055 0.000 1.192 223 H CB 1.002 30.741 29.762 -0.038 0.000 1.474 223 H HN 0.429 nan 8.280 nan 0.000 0.484 224 R N 0.223 120.907 120.500 0.307 0.000 2.774 224 R HA 0.713 5.077 4.340 0.040 0.000 0.272 224 R C -1.416 175.140 176.300 0.426 0.000 1.000 224 R CA -0.655 55.597 56.100 0.254 0.000 0.906 224 R CB 2.908 33.169 30.300 -0.067 0.000 1.227 224 R HN 0.143 nan 8.270 nan 0.000 0.468 225 A N 1.148 124.223 122.820 0.426 0.000 2.486 225 A HA 0.713 5.057 4.320 0.040 0.000 0.300 225 A C -1.450 176.325 177.584 0.317 0.000 1.048 225 A CA -0.616 51.625 52.037 0.340 0.000 0.696 225 A CB 1.893 21.074 19.000 0.301 0.000 1.278 225 A HN 0.313 nan 8.150 nan 0.000 0.405 226 V N 2.187 122.252 119.914 0.251 0.000 2.525 226 V HA 0.455 4.599 4.120 0.040 0.000 0.299 226 V C -1.230 174.984 176.094 0.200 0.000 1.034 226 V CA -0.291 62.115 62.300 0.176 0.000 0.863 226 V CB 1.313 33.267 31.823 0.218 0.000 0.999 226 V HN 0.687 nan 8.190 nan 0.000 0.423 227 L N 5.106 126.413 121.223 0.140 0.000 2.301 227 L HA 0.513 4.877 4.340 0.040 0.000 0.278 227 L C 0.114 177.097 176.870 0.188 0.000 1.022 227 L CA 0.111 55.025 54.840 0.122 0.000 0.854 227 L CB 1.342 43.429 42.059 0.047 0.000 1.226 227 L HN 0.632 nan 8.230 nan 0.000 0.429 228 Q N 1.934 121.894 119.800 0.267 0.000 2.368 228 Q HA 0.418 4.782 4.340 0.040 0.000 0.256 228 Q C 0.317 176.450 176.000 0.222 0.000 0.980 228 Q CA -0.454 55.563 55.803 0.357 0.000 0.887 228 Q CB 1.186 30.219 28.738 0.491 0.000 1.221 228 Q HN 0.611 nan 8.270 nan 0.000 0.458 229 S N 0.961 116.770 115.700 0.182 0.000 3.641 229 S HA -0.165 4.329 4.470 0.040 0.000 0.346 229 S C -0.002 174.770 174.600 0.285 0.000 1.074 229 S CA 0.600 58.914 58.200 0.190 0.000 1.026 229 S CB -1.065 62.208 63.200 0.120 0.000 0.908 229 S HN 0.986 nan 8.310 nan 0.000 0.479 230 G N -0.571 108.371 108.800 0.235 0.000 2.579 230 G HA2 0.663 4.647 3.960 0.040 0.000 0.292 230 G HA3 0.663 4.647 3.960 0.040 0.000 0.292 230 G C -0.957 174.028 174.900 0.140 0.000 1.484 230 G CA 0.263 45.561 45.100 0.329 0.000 0.813 230 G HN 0.963 nan 8.290 nan 0.000 0.515 231 T N -1.609 112.975 114.554 0.050 0.000 2.889 231 T HA 0.717 5.091 4.350 0.040 0.000 0.315 231 T C -2.414 172.166 174.700 -0.200 0.000 1.291 231 T CA -1.286 60.764 62.100 -0.083 0.000 1.028 231 T CB 3.029 71.829 68.868 -0.114 0.000 1.235 231 T HN 0.283 nan 8.240 nan 0.000 0.491 232 P HA -0.008 nan 4.420 nan 0.000 0.220 232 P C 0.361 177.525 177.300 -0.227 0.000 1.152 232 P CA 0.617 63.614 63.100 -0.171 0.000 0.812 232 P CB -0.081 31.570 31.700 -0.082 0.000 0.792 233 N N 0.819 119.401 118.700 -0.196 0.000 2.317 233 N HA 0.275 5.039 4.740 0.040 0.000 0.245 233 N C 0.754 176.074 175.510 -0.317 0.000 1.294 233 N CA 0.723 53.651 53.050 -0.203 0.000 0.924 233 N CB 0.094 38.501 38.487 -0.134 0.000 1.186 233 N HN 0.211 nan 8.380 nan 0.000 0.495 234 G N -1.037 107.589 108.800 -0.291 0.000 2.479 234 G HA2 -0.097 3.887 3.960 0.040 0.000 0.686 234 G HA3 -0.097 3.887 3.960 0.040 0.000 0.686 234 G C -2.256 172.413 174.900 -0.386 0.000 1.295 234 G CA -0.227 44.650 45.100 -0.372 0.000 0.922 234 G HN 0.524 nan 8.290 nan 0.000 0.582 235 P HA 0.099 nan 4.420 nan 0.000 0.231 235 P C 1.478 178.708 177.300 -0.116 0.000 1.168 235 P CA 1.989 64.961 63.100 -0.213 0.000 0.779 235 P CB -0.026 31.534 31.700 -0.233 0.000 0.844 236 W N -1.273 119.938 121.300 -0.148 0.000 2.901 236 W HA 0.542 5.226 4.660 0.040 0.000 0.281 236 W C 1.289 177.868 176.519 0.100 0.000 1.167 236 W CA 0.451 57.770 57.345 -0.043 0.000 1.506 236 W CB -0.898 28.553 29.460 -0.014 0.000 0.985 236 W HN -0.171 nan 8.180 nan 0.000 0.590 237 A N 1.904 124.379 122.820 -0.575 0.000 2.014 237 A HA 0.051 4.395 4.320 0.040 0.000 0.218 237 A C 1.294 178.720 177.584 -0.264 0.000 1.163 237 A CA 1.947 53.712 52.037 -0.453 0.000 0.652 237 A CB -0.924 17.582 19.000 -0.822 0.000 0.808 237 A HN 0.260 nan 8.150 nan 0.000 0.449 238 T N -3.062 111.353 114.554 -0.232 0.000 2.916 238 T HA 0.635 5.009 4.350 0.040 0.000 0.292 238 T C -0.467 174.159 174.700 -0.123 0.000 1.064 238 T CA -0.119 61.867 62.100 -0.190 0.000 1.011 238 T CB 1.501 70.269 68.868 -0.167 0.000 1.152 238 T HN 0.839 nan 8.240 nan 0.000 0.510 239 V N -0.975 118.876 119.914 -0.106 0.000 3.126 239 V HA 0.924 5.068 4.120 0.040 0.000 0.314 239 V C 0.254 176.310 176.094 -0.063 0.000 1.138 239 V CA -0.849 61.404 62.300 -0.079 0.000 1.034 239 V CB 1.277 33.052 31.823 -0.080 0.000 1.075 239 V HN 1.341 nan 8.190 nan 0.000 0.442 240 S N 0.861 116.530 115.700 -0.052 0.000 2.652 240 S HA 0.689 5.183 4.470 0.040 0.000 0.270 240 S C 1.329 175.912 174.600 -0.028 0.000 1.243 240 S CA 0.020 58.198 58.200 -0.038 0.000 0.999 240 S CB 1.326 64.505 63.200 -0.035 0.000 0.973 240 S HN 1.890 nan 8.310 nan 0.000 0.544 241 A N 1.775 124.585 122.820 -0.017 0.000 1.908 241 A HA 0.078 4.422 4.320 0.040 0.000 0.218 241 A C 2.206 179.782 177.584 -0.014 0.000 1.181 241 A CA 1.970 54.002 52.037 -0.008 0.000 0.627 241 A CB -1.929 17.070 19.000 -0.001 0.000 0.818 241 A HN 1.201 nan 8.150 nan 0.000 0.445 242 G N -0.506 108.283 108.800 -0.019 0.000 2.446 242 G HA2 -0.284 3.700 3.960 0.040 0.000 0.217 242 G HA3 -0.284 3.700 3.960 0.040 0.000 0.217 242 G C 1.482 176.364 174.900 -0.030 0.000 1.168 242 G CA 1.450 46.536 45.100 -0.022 0.000 0.771 242 G HN 0.591 nan 8.290 nan 0.000 0.551 243 E N 0.806 120.982 120.200 -0.039 0.000 2.208 243 E HA 0.170 4.544 4.350 0.040 0.000 0.193 243 E C 2.571 179.131 176.600 -0.067 0.000 0.988 243 E CA 1.217 57.584 56.400 -0.056 0.000 0.828 243 E CB -0.438 29.224 29.700 -0.064 0.000 0.763 243 E HN 0.290 nan 8.360 nan 0.000 0.478 244 A N 0.764 123.556 122.820 -0.046 0.000 1.898 244 A HA -0.125 4.219 4.320 0.040 0.000 0.216 244 A C 2.270 179.854 177.584 0.001 0.000 1.181 244 A CA 1.546 53.568 52.037 -0.026 0.000 0.620 244 A CB -0.525 18.481 19.000 0.010 0.000 0.819 244 A HN 0.254 nan 8.150 nan 0.000 0.442 245 R N -0.808 119.688 120.500 -0.006 0.000 2.075 245 R HA -0.107 4.257 4.340 0.040 0.000 0.232 245 R C 2.464 178.759 176.300 -0.009 0.000 1.126 245 R CA 1.236 57.333 56.100 -0.004 0.000 0.963 245 R CB -0.296 29.998 30.300 -0.009 0.000 0.858 245 R HN 0.382 nan 8.270 nan 0.000 0.435 246 R N 0.874 121.359 120.500 -0.024 0.000 2.097 246 R HA -0.173 4.191 4.340 0.040 0.000 0.236 246 R C 2.235 178.517 176.300 -0.029 0.000 1.135 246 R CA 2.212 58.294 56.100 -0.031 0.000 0.934 246 R CB -0.310 29.962 30.300 -0.046 0.000 0.846 246 R HN 0.339 nan 8.270 nan 0.000 0.431 247 R N -0.321 120.145 120.500 -0.057 0.000 2.073 247 R HA -0.074 4.290 4.340 0.040 0.000 0.234 247 R C 2.393 178.754 176.300 0.101 0.000 1.134 247 R CA 1.397 57.454 56.100 -0.072 0.000 0.952 247 R CB -0.501 29.602 30.300 -0.329 0.000 0.850 247 R HN 0.255 nan 8.270 nan 0.000 0.433 248 A N 0.748 123.663 122.820 0.159 0.000 1.908 248 A HA -0.183 4.161 4.320 0.040 0.000 0.218 248 A C 2.217 179.831 177.584 0.049 0.000 1.181 248 A CA 2.100 54.236 52.037 0.164 0.000 0.627 248 A CB -0.940 18.105 19.000 0.074 0.000 0.818 248 A HN 0.300 nan 8.150 nan 0.000 0.445 249 T N -0.235 114.332 114.554 0.021 0.000 2.821 249 T HA -0.097 4.277 4.350 0.040 0.000 0.267 249 T C 1.792 176.494 174.700 0.003 0.000 1.046 249 T CA 1.462 63.561 62.100 -0.002 0.000 1.139 249 T CB -0.275 68.587 68.868 -0.009 0.000 0.871 249 T HN 0.316 nan 8.240 nan 0.000 0.454 250 L N 0.766 121.999 121.223 0.016 0.000 2.156 250 L HA 0.215 4.579 4.340 0.040 0.000 0.208 250 L C 2.052 178.940 176.870 0.028 0.000 1.095 250 L CA 1.251 56.100 54.840 0.014 0.000 0.770 250 L CB -0.666 41.398 42.059 0.008 0.000 0.914 250 L HN 0.171 nan 8.230 nan 0.000 0.439 251 L N -0.340 120.927 121.223 0.073 0.000 2.027 251 L HA -0.052 4.312 4.340 0.040 0.000 0.206 251 L C 2.545 179.410 176.870 -0.007 0.000 1.074 251 L CA 1.834 56.718 54.840 0.072 0.000 0.745 251 L CB -0.755 41.400 42.059 0.160 0.000 0.898 251 L HN 0.258 nan 8.230 nan 0.000 0.433 252 A N -0.209 122.602 122.820 -0.016 0.000 1.892 252 A HA -0.312 4.032 4.320 0.040 0.000 0.218 252 A C 2.520 180.081 177.584 -0.038 0.000 1.188 252 A CA 2.170 54.186 52.037 -0.035 0.000 0.631 252 A CB -0.781 18.197 19.000 -0.037 0.000 0.822 252 A HN 0.524 nan 8.150 nan 0.000 0.447 253 R N -0.572 119.908 120.500 -0.033 0.000 2.083 253 R HA -0.079 4.285 4.340 0.040 0.000 0.237 253 R C 2.028 178.286 176.300 -0.070 0.000 1.137 253 R CA 1.677 57.754 56.100 -0.038 0.000 0.951 253 R CB -0.437 29.847 30.300 -0.026 0.000 0.851 253 R HN 0.525 nan 8.270 nan 0.000 0.434 254 L N 0.808 121.969 121.223 -0.102 0.000 2.265 254 L HA -0.109 4.255 4.340 0.040 0.000 0.215 254 L C 1.696 178.350 176.870 -0.361 0.000 1.117 254 L CA 0.791 55.498 54.840 -0.223 0.000 0.782 254 L CB 0.105 42.016 42.059 -0.246 0.000 0.914 254 L HN 0.239 nan 8.230 nan 0.000 0.441 255 V N -4.384 115.402 119.914 -0.214 0.000 3.214 255 V HA 0.539 4.683 4.120 0.040 0.000 0.330 255 V C 1.086 177.149 176.094 -0.052 0.000 1.403 255 V CA 0.195 62.413 62.300 -0.137 0.000 1.143 255 V CB -0.108 31.683 31.823 -0.052 0.000 1.098 255 V HN 0.373 nan 8.190 nan 0.000 0.463 256 G N -0.261 108.507 108.800 -0.053 0.000 2.132 256 G HA2 -0.243 3.741 3.960 0.040 0.000 0.234 256 G HA3 -0.243 3.741 3.960 0.040 0.000 0.234 256 G C 0.099 174.991 174.900 -0.013 0.000 0.989 256 G CA -0.026 45.061 45.100 -0.022 0.000 0.676 256 G HN 0.681 nan 8.290 nan 0.000 0.522 257 c N 2.707 121.297 118.600 -0.017 0.000 2.225 257 c HA 0.586 5.180 4.570 0.040 0.000 0.328 257 c C -0.685 173.398 174.090 -0.011 0.000 1.187 257 c CA -1.240 55.083 56.329 -0.009 0.000 1.665 257 c CB 0.272 42.777 42.510 -0.008 0.000 2.253 257 c HN 0.506 nan 8.230 nan 0.000 0.497 266 D N 1.386 121.782 120.400 -0.006 0.000 2.268 266 D HA -0.223 4.441 4.640 0.040 0.000 0.189 266 D C 1.490 177.788 176.300 -0.004 0.000 1.010 266 D CA 2.319 56.314 54.000 -0.010 0.000 0.862 266 D CB -0.303 40.493 40.800 -0.007 0.000 0.943 266 D HN 0.611 nan 8.370 nan 0.000 0.451 267 T N 0.879 115.436 114.554 0.005 0.000 2.624 267 T HA -0.208 4.166 4.350 0.040 0.000 0.268 267 T C 1.838 176.547 174.700 0.014 0.000 1.041 267 T CA 1.688 63.796 62.100 0.014 0.000 1.159 267 T CB -0.364 68.513 68.868 0.016 0.000 0.863 267 T HN 0.314 nan 8.240 nan 0.000 0.434 268 E N 0.299 120.505 120.200 0.009 0.000 2.049 268 E HA -0.147 4.227 4.350 0.040 0.000 0.198 268 E C 2.225 178.830 176.600 0.008 0.000 1.007 268 E CA 1.164 57.569 56.400 0.009 0.000 0.809 268 E CB -0.318 29.385 29.700 0.005 0.000 0.749 268 E HN 0.342 nan 8.360 nan 0.000 0.450 269 L N 0.702 121.923 121.223 -0.002 0.000 2.012 269 L HA -0.222 4.142 4.340 0.040 0.000 0.210 269 L C 2.259 179.123 176.870 -0.011 0.000 1.073 269 L CA 1.344 56.176 54.840 -0.013 0.000 0.748 269 L CB -0.127 41.914 42.059 -0.029 0.000 0.891 269 L HN 0.152 nan 8.230 nan 0.000 0.431 270 I N -0.597 119.969 120.570 -0.007 0.000 2.252 270 I HA -0.268 3.926 4.170 0.040 0.000 0.245 270 I C 2.731 178.902 176.117 0.091 0.000 1.102 270 I CA 1.027 62.339 61.300 0.021 0.000 1.385 270 I CB -0.692 37.324 38.000 0.026 0.000 1.064 270 I HN 0.311 nan 8.210 nan 0.000 0.414 271 A N 0.079 122.937 122.820 0.063 0.000 1.884 271 A HA -0.356 3.988 4.320 0.040 0.000 0.219 271 A C 2.563 180.184 177.584 0.061 0.000 1.197 271 A CA 2.377 54.451 52.037 0.061 0.000 0.637 271 A CB -1.525 17.498 19.000 0.039 0.000 0.827 271 A HN 0.651 nan 8.150 nan 0.000 0.450 272 c N -0.676 117.951 118.600 0.045 0.000 2.440 272 c HA 0.048 4.642 4.570 0.040 0.000 0.278 272 c C 2.609 176.733 174.090 0.057 0.000 1.295 272 c CA 0.961 57.314 56.329 0.039 0.000 1.738 272 c CB -1.644 40.880 42.510 0.022 0.000 1.987 272 c HN 0.581 nan 8.230 nan 0.000 0.492 273 L N 0.399 121.666 121.223 0.073 0.000 2.079 273 L HA -0.161 4.203 4.340 0.040 0.000 0.210 273 L C 3.019 180.006 176.870 0.195 0.000 1.081 273 L CA 1.711 56.627 54.840 0.126 0.000 0.752 273 L CB -0.680 41.442 42.059 0.106 0.000 0.896 273 L HN 0.366 nan 8.230 nan 0.000 0.433 274 R N -0.547 120.069 120.500 0.193 0.000 2.189 274 R HA -0.118 4.246 4.340 0.040 0.000 0.223 274 R C 2.171 178.500 176.300 0.048 0.000 1.092 274 R CA 1.687 57.853 56.100 0.110 0.000 0.989 274 R CB -0.335 30.019 30.300 0.090 0.000 0.876 274 R HN 0.514 nan 8.270 nan 0.000 0.457 275 T N -1.469 113.116 114.554 0.051 0.000 3.118 275 T HA 0.081 4.455 4.350 0.040 0.000 0.260 275 T C 0.857 175.574 174.700 0.028 0.000 1.139 275 T CA 0.119 62.237 62.100 0.031 0.000 1.085 275 T CB 0.124 69.009 68.868 0.029 0.000 0.934 275 T HN -0.124 nan 8.240 nan 0.000 0.518 276 R N 2.519 123.043 120.500 0.040 0.000 2.297 276 R HA 0.411 4.775 4.340 0.040 0.000 0.308 276 R C -2.721 173.595 176.300 0.027 0.000 1.029 276 R CA -2.539 53.584 56.100 0.039 0.000 0.929 276 R CB 0.411 30.743 30.300 0.053 0.000 1.046 276 R HN 0.230 nan 8.270 nan 0.000 0.461 277 P HA -0.092 nan 4.420 nan 0.000 0.264 277 P C 0.383 177.664 177.300 -0.032 0.000 1.179 277 P CA 0.356 63.446 63.100 -0.017 0.000 0.763 277 P CB 0.581 32.280 31.700 -0.001 0.000 0.806 278 A N 2.944 125.674 122.820 -0.149 0.000 1.892 278 A HA -0.280 4.064 4.320 0.040 0.000 0.218 278 A C 2.130 179.639 177.584 -0.125 0.000 1.188 278 A CA 2.003 53.914 52.037 -0.210 0.000 0.631 278 A CB -1.241 17.169 19.000 -0.983 0.000 0.822 278 A HN 0.554 nan 8.150 nan 0.000 0.447 279 Q N 0.001 119.710 119.800 -0.151 0.000 2.291 279 Q HA -0.149 4.215 4.340 0.040 0.000 0.205 279 Q C 1.183 177.258 176.000 0.126 0.000 0.970 279 Q CA 1.847 57.711 55.803 0.102 0.000 0.876 279 Q CB -0.414 28.428 28.738 0.174 0.000 0.935 279 Q HN 0.649 nan 8.270 nan 0.000 0.455 280 D N -0.766 119.689 120.400 0.093 0.000 2.123 280 D HA -0.153 4.511 4.640 0.040 0.000 0.196 280 D C 1.412 177.809 176.300 0.160 0.000 0.992 280 D CA 0.898 54.978 54.000 0.132 0.000 0.833 280 D CB -0.085 40.784 40.800 0.115 0.000 0.954 280 D HN 0.217 nan 8.370 nan 0.000 0.455 281 L N 0.138 121.424 121.223 0.105 0.000 2.017 281 L HA -0.110 4.254 4.340 0.040 0.000 0.208 281 L C 2.441 179.364 176.870 0.089 0.000 1.073 281 L CA 0.983 55.848 54.840 0.042 0.000 0.745 281 L CB -0.843 41.130 42.059 -0.142 0.000 0.894 281 L HN -0.013 nan 8.230 nan 0.000 0.432 282 V N -0.474 119.551 119.914 0.186 0.000 2.515 282 V HA -0.251 3.893 4.120 0.040 0.000 0.250 282 V C 2.100 178.291 176.094 0.162 0.000 1.058 282 V CA 1.462 63.920 62.300 0.264 0.000 1.064 282 V CB -0.574 31.523 31.823 0.457 0.000 0.675 282 V HN 0.394 nan 8.190 nan 0.000 0.461 283 D N -0.848 119.604 120.400 0.088 0.000 2.182 283 D HA -0.140 4.524 4.640 0.040 0.000 0.201 283 D C 1.730 177.812 176.300 -0.363 0.000 0.986 283 D CA 1.302 55.242 54.000 -0.100 0.000 0.847 283 D CB -0.158 40.542 40.800 -0.166 0.000 0.942 283 D HN 0.517 nan 8.370 nan 0.000 0.467 284 H N -0.510 118.504 119.070 -0.092 0.000 2.674 284 H HA 0.103 4.683 4.556 0.040 0.000 0.274 284 H C 1.400 176.652 175.328 -0.125 0.000 1.121 284 H CA 0.143 56.051 56.048 -0.232 0.000 1.132 284 H CB 0.655 30.388 29.762 -0.047 0.000 1.606 284 H HN 0.432 nan 8.280 nan 0.000 0.558 285 E N -0.234 120.011 120.200 0.074 0.000 2.158 285 E HA -0.150 4.224 4.350 0.040 0.000 0.191 285 E C 1.789 178.526 176.600 0.228 0.000 0.982 285 E CA 0.271 56.814 56.400 0.238 0.000 0.823 285 E CB -0.278 29.597 29.700 0.293 0.000 0.766 285 E HN 0.236 nan 8.360 nan 0.000 0.468 286 W N 2.366 123.614 121.300 -0.087 0.000 2.392 286 W HA -0.065 4.618 4.660 0.039 0.000 0.279 286 W C 1.225 177.835 176.519 0.151 0.000 1.225 286 W CA 1.462 58.795 57.345 -0.019 0.000 1.233 286 W CB -0.217 29.216 29.460 -0.045 0.000 1.122 286 W HN 0.239 nan 8.180 nan 0.000 0.561 287 H N -1.157 117.962 119.070 0.082 0.000 2.551 287 H HA -0.005 4.574 4.556 0.040 0.000 0.266 287 H C 1.933 177.209 175.328 -0.086 0.000 0.977 287 H CA 0.830 56.845 56.048 -0.056 0.000 1.163 287 H CB 0.036 29.849 29.762 0.086 0.000 1.381 287 H HN 0.126 nan 8.280 nan 0.000 0.581 288 V N -1.156 118.787 119.914 0.047 0.000 3.649 288 V HA 0.132 4.276 4.120 0.040 0.000 0.275 288 V C 0.607 176.627 176.094 -0.124 0.000 1.281 288 V CA 0.025 62.305 62.300 -0.034 0.000 1.143 288 V CB -0.595 31.202 31.823 -0.044 0.000 0.892 288 V HN 0.144 nan 8.190 nan 0.000 0.441 289 L N 2.475 123.601 121.223 -0.162 0.000 2.410 289 L HA 0.276 4.640 4.340 0.040 0.000 0.273 289 L C -0.265 176.507 176.870 -0.164 0.000 1.152 289 L CA -1.178 53.555 54.840 -0.178 0.000 0.855 289 L CB 1.055 42.989 42.059 -0.208 0.000 1.129 289 L HN 0.136 nan 8.230 nan 0.000 0.463 290 P HA -0.114 nan 4.420 nan 0.000 0.220 290 P C -0.144 177.093 177.300 -0.105 0.000 1.148 290 P CA 1.174 64.211 63.100 -0.106 0.000 0.803 290 P CB 0.442 32.090 31.700 -0.087 0.000 0.782 291 Q N -1.403 118.328 119.800 -0.114 0.000 2.495 291 Q HA 0.329 4.693 4.340 0.040 0.000 0.287 291 Q C -0.666 175.261 176.000 -0.123 0.000 1.078 291 Q CA -0.739 55.003 55.803 -0.101 0.000 0.793 291 Q CB 1.485 30.183 28.738 -0.068 0.000 1.459 291 Q HN -0.065 nan 8.270 nan 0.000 0.422 292 E N 1.031 121.171 120.200 -0.101 0.000 2.415 292 E HA 0.257 4.631 4.350 0.040 0.000 0.260 292 E C -0.969 175.613 176.600 -0.029 0.000 1.016 292 E CA 0.178 56.534 56.400 -0.073 0.000 0.924 292 E CB 0.299 29.978 29.700 -0.034 0.000 0.961 292 E HN 0.583 nan 8.360 nan 0.000 0.459 293 S N 3.502 119.200 115.700 -0.003 0.000 2.615 293 S HA 0.655 5.149 4.470 0.040 0.000 0.269 293 S C -0.532 174.103 174.600 0.058 0.000 1.161 293 S CA -1.058 57.149 58.200 0.013 0.000 0.817 293 S CB 0.828 64.010 63.200 -0.030 0.000 1.131 293 S HN 0.502 nan 8.310 nan 0.000 0.467 294 I N -2.906 117.687 120.570 0.037 0.000 2.892 294 I HA 0.795 4.989 4.170 0.040 0.000 0.306 294 I C -0.363 175.723 176.117 -0.052 0.000 1.078 294 I CA -1.206 60.122 61.300 0.046 0.000 1.032 294 I CB 1.220 39.289 38.000 0.116 0.000 1.229 294 I HN 0.757 nan 8.210 nan 0.000 0.435 295 F N 1.924 121.637 119.950 -0.396 0.000 3.074 295 F HA -0.186 4.365 4.527 0.039 0.000 0.287 295 F C -0.303 174.953 175.800 -0.907 0.000 0.932 295 F CA 0.659 58.154 58.000 -0.842 0.000 0.995 295 F CB -0.591 37.846 39.000 -0.938 0.000 0.966 295 F HN 0.583 nan 8.300 nan 0.000 0.721 296 R N 0.467 120.547 120.500 -0.700 0.000 2.628 296 R HA 0.612 4.976 4.340 0.040 0.000 0.288 296 R C -1.015 174.891 176.300 -0.657 0.000 0.980 296 R CA -0.598 55.138 56.100 -0.607 0.000 0.891 296 R CB 1.355 31.529 30.300 -0.210 0.000 1.188 296 R HN -0.005 nan 8.270 nan 0.000 0.450 297 F N -0.511 119.527 119.950 0.147 0.000 2.532 297 F HA 0.349 4.900 4.527 0.040 0.000 0.321 297 F C 1.565 177.408 175.800 0.072 0.000 1.089 297 F CA -0.865 57.218 58.000 0.138 0.000 0.926 297 F CB 1.793 40.959 39.000 0.278 0.000 1.168 297 F HN 0.369 nan 8.300 nan 0.000 0.459 298 S N 0.946 116.772 115.700 0.210 0.000 2.359 298 S HA -0.080 4.414 4.470 0.040 0.000 0.224 298 S C 0.005 174.390 174.600 -0.358 0.000 1.035 298 S CA 1.337 59.486 58.200 -0.085 0.000 1.018 298 S CB -0.261 62.961 63.200 0.037 0.000 0.876 298 S HN 0.380 nan 8.310 nan 0.000 0.448 299 F N 1.083 121.170 119.950 0.228 0.000 2.500 299 F HA 0.533 5.084 4.527 0.040 0.000 0.349 299 F C -0.101 175.779 175.800 0.133 0.000 1.127 299 F CA -0.939 57.180 58.000 0.199 0.000 0.998 299 F CB 1.537 40.684 39.000 0.244 0.000 1.237 299 F HN -0.102 nan 8.300 nan 0.000 0.439 300 V N 0.893 120.828 119.914 0.036 0.000 3.158 300 V HA 0.774 4.918 4.120 0.040 0.000 0.311 300 V C -2.896 172.873 176.094 -0.540 0.000 1.181 300 V CA -3.326 58.682 62.300 -0.486 0.000 1.054 300 V CB 2.011 33.693 31.823 -0.235 0.000 1.085 300 V HN 0.269 nan 8.190 nan 0.000 0.446 301 P HA 0.159 nan 4.420 nan 0.000 0.265 301 P C -0.679 176.498 177.300 -0.205 0.000 1.187 301 P CA 0.462 63.300 63.100 -0.438 0.000 0.766 301 P CB 0.596 31.957 31.700 -0.565 0.000 0.820 302 V N 4.682 124.556 119.914 -0.067 0.000 2.667 302 V HA 0.246 4.390 4.120 0.040 0.000 0.308 302 V C -0.342 175.742 176.094 -0.016 0.000 1.048 302 V CA -0.883 61.398 62.300 -0.033 0.000 0.928 302 V CB 2.074 33.907 31.823 0.017 0.000 1.004 302 V HN 0.134 nan 8.190 nan 0.000 0.444 303 V N 7.208 127.111 119.914 -0.018 0.000 2.364 303 V HA 0.173 4.317 4.120 0.040 0.000 0.252 303 V C 0.815 176.921 176.094 0.021 0.000 1.075 303 V CA 0.343 62.645 62.300 0.004 0.000 1.033 303 V CB 0.133 31.949 31.823 -0.012 0.000 1.116 303 V HN 1.058 nan 8.190 nan 0.000 0.488 304 D N 2.848 123.278 120.400 0.048 0.000 2.367 304 D HA 0.105 4.769 4.640 0.040 0.000 0.207 304 D C 1.613 177.942 176.300 0.048 0.000 1.034 304 D CA 0.749 54.780 54.000 0.053 0.000 0.861 304 D CB 0.364 41.210 40.800 0.077 0.000 0.943 304 D HN 0.671 nan 8.370 nan 0.000 0.515 305 G N 0.779 109.607 108.800 0.047 0.000 2.189 305 G HA2 -0.355 3.629 3.960 0.040 0.000 0.267 305 G HA3 -0.355 3.629 3.960 0.040 0.000 0.267 305 G C 0.573 175.498 174.900 0.043 0.000 0.975 305 G CA 0.880 46.001 45.100 0.036 0.000 0.644 305 G HN 0.538 nan 8.290 nan 0.000 0.537 306 D N -1.183 119.260 120.400 0.072 0.000 3.013 306 D HA 0.222 4.886 4.640 0.040 0.000 0.256 306 D C 1.886 178.245 176.300 0.098 0.000 1.573 306 D CA 0.427 54.474 54.000 0.079 0.000 1.197 306 D CB -0.498 40.361 40.800 0.097 0.000 1.041 306 D HN 0.110 nan 8.370 nan 0.000 0.304 307 F N 1.053 121.018 119.950 0.026 0.000 2.095 307 F HA 0.101 4.652 4.527 0.040 0.000 0.298 307 F C 0.674 176.482 175.800 0.014 0.000 1.104 307 F CA 1.209 59.225 58.000 0.026 0.000 1.232 307 F CB 0.091 39.108 39.000 0.028 0.000 0.987 307 F HN -0.023 nan 8.300 nan 0.000 0.475 308 L N 0.775 122.158 121.223 0.266 0.000 2.277 308 L HA 0.195 4.559 4.340 0.040 0.000 0.284 308 L C 1.375 178.285 176.870 0.068 0.000 1.028 308 L CA -0.167 54.760 54.840 0.145 0.000 0.835 308 L CB 1.318 43.460 42.059 0.138 0.000 1.215 308 L HN 0.075 nan 8.230 nan 0.000 0.425 309 S N 0.620 116.338 115.700 0.029 0.000 2.507 309 S HA -0.032 4.462 4.470 0.040 0.000 0.235 309 S C 0.384 174.992 174.600 0.013 0.000 0.988 309 S CA 0.599 58.808 58.200 0.014 0.000 0.944 309 S CB -0.009 63.188 63.200 -0.006 0.000 0.762 309 S HN 0.784 nan 8.310 nan 0.000 0.526 310 D N -0.393 120.017 120.400 0.017 0.000 2.769 310 D HA 0.205 4.869 4.640 0.040 0.000 0.309 310 D C -0.893 175.412 176.300 0.008 0.000 1.315 310 D CA 0.212 54.218 54.000 0.009 0.000 0.780 310 D CB 0.898 41.700 40.800 0.004 0.000 1.312 310 D HN 0.200 nan 8.370 nan 0.000 0.437 311 T N -0.729 113.823 114.554 -0.003 0.000 2.903 311 T HA 0.274 4.648 4.350 0.040 0.000 0.314 311 T C -1.786 172.909 174.700 -0.008 0.000 1.078 311 T CA -0.509 61.582 62.100 -0.015 0.000 1.114 311 T CB 0.966 69.817 68.868 -0.027 0.000 0.987 311 T HN 0.127 nan 8.240 nan 0.000 0.548 312 P HA -0.107 nan 4.420 nan 0.000 0.215 312 P C 1.619 178.915 177.300 -0.008 0.000 1.153 312 P CA 0.909 64.000 63.100 -0.015 0.000 0.853 312 P CB 0.050 31.714 31.700 -0.060 0.000 0.788 313 E N -0.238 119.945 120.200 -0.028 0.000 2.049 313 E HA -0.260 4.114 4.350 0.040 0.000 0.198 313 E C 1.905 178.510 176.600 0.007 0.000 1.007 313 E CA 1.756 58.145 56.400 -0.018 0.000 0.809 313 E CB -0.522 29.160 29.700 -0.031 0.000 0.749 313 E HN 0.063 nan 8.360 nan 0.000 0.450 314 A N 1.178 124.000 122.820 0.005 0.000 1.877 314 A HA -0.163 4.181 4.320 0.040 0.000 0.216 314 A C 2.353 179.956 177.584 0.032 0.000 1.186 314 A CA 1.310 53.354 52.037 0.013 0.000 0.620 314 A CB -0.765 18.237 19.000 0.004 0.000 0.822 314 A HN 0.301 nan 8.150 nan 0.000 0.443 315 L N -0.074 121.174 121.223 0.041 0.000 2.083 315 L HA -0.176 4.188 4.340 0.040 0.000 0.209 315 L C 2.600 179.558 176.870 0.146 0.000 1.083 315 L CA 1.645 56.527 54.840 0.071 0.000 0.752 315 L CB -0.621 41.482 42.059 0.074 0.000 0.899 315 L HN 0.696 nan 8.230 nan 0.000 0.433 316 I N -3.217 117.441 120.570 0.147 0.000 2.546 316 I HA -0.140 4.054 4.170 0.040 0.000 0.255 316 I C 1.908 178.150 176.117 0.208 0.000 1.163 316 I CA 1.246 62.677 61.300 0.217 0.000 1.457 316 I CB -0.430 37.614 38.000 0.074 0.000 1.092 316 I HN 0.160 nan 8.210 nan 0.000 0.434 317 N N 1.237 120.004 118.700 0.113 0.000 2.396 317 N HA -0.086 4.678 4.740 0.040 0.000 0.180 317 N C 1.702 177.257 175.510 0.076 0.000 1.028 317 N CA 1.928 55.028 53.050 0.084 0.000 0.893 317 N CB -0.123 38.391 38.487 0.046 0.000 0.967 317 N HN 0.712 nan 8.380 nan 0.000 0.440 318 T N -4.474 110.116 114.554 0.060 0.000 3.043 318 T HA 0.323 4.697 4.350 0.040 0.000 0.272 318 T C 0.922 175.579 174.700 -0.072 0.000 0.990 318 T CA -0.320 61.781 62.100 0.003 0.000 0.897 318 T CB 0.157 69.020 68.868 -0.009 0.000 1.111 318 T HN 0.020 nan 8.240 nan 0.000 0.529 319 G N 0.984 109.709 108.800 -0.124 0.000 2.634 319 G HA2 0.432 4.416 3.960 0.040 0.000 0.255 319 G HA3 0.432 4.416 3.960 0.040 0.000 0.255 319 G C -1.125 173.380 174.900 -0.658 0.000 1.205 319 G CA -0.374 44.426 45.100 -0.499 0.000 0.884 319 G HN 0.346 nan 8.290 nan 0.000 0.549 320 D N -0.635 119.326 120.400 -0.733 0.000 2.381 320 D HA 0.401 5.065 4.640 0.040 0.000 0.235 320 D C -0.591 175.375 176.300 -0.556 0.000 1.068 320 D CA -0.707 53.014 54.000 -0.464 0.000 0.832 320 D CB 0.706 41.364 40.800 -0.238 0.000 1.101 320 D HN 0.072 nan 8.370 nan 0.000 0.515 321 F N 2.110 122.063 119.950 0.005 0.000 2.850 321 F HA 0.250 4.802 4.527 0.040 0.000 0.306 321 F C 1.896 177.702 175.800 0.009 0.000 1.162 321 F CA -0.333 57.673 58.000 0.010 0.000 1.327 321 F CB 0.343 39.357 39.000 0.023 0.000 0.953 321 F HN 0.406 nan 8.300 nan 0.000 0.507 322 Q N -0.148 119.713 119.800 0.102 0.000 2.079 322 Q HA -0.114 4.250 4.340 0.040 0.000 0.200 322 Q C 0.049 176.086 176.000 0.061 0.000 0.974 322 Q CA 1.173 57.019 55.803 0.070 0.000 0.840 322 Q CB 0.015 28.769 28.738 0.027 0.000 0.898 322 Q HN 0.239 nan 8.270 nan 0.000 0.430 323 D N 0.443 120.871 120.400 0.047 0.000 2.973 323 D HA 0.302 4.966 4.640 0.040 0.000 0.263 323 D C -1.281 175.047 176.300 0.048 0.000 1.266 323 D CA 0.065 54.086 54.000 0.034 0.000 0.975 323 D CB 0.244 41.050 40.800 0.009 0.000 1.032 323 D HN -0.057 nan 8.370 nan 0.000 0.510 324 L N 0.987 122.258 121.223 0.081 0.000 2.543 324 L HA 0.378 4.742 4.340 0.040 0.000 0.265 324 L C -1.562 175.377 176.870 0.114 0.000 0.945 324 L CA -0.445 54.458 54.840 0.104 0.000 0.869 324 L CB 1.984 44.143 42.059 0.167 0.000 1.294 324 L HN -0.120 nan 8.230 nan 0.000 0.405 325 Q N 3.159 123.038 119.800 0.131 0.000 2.312 325 Q HA 0.857 5.221 4.340 0.040 0.000 0.263 325 Q C -1.434 174.781 176.000 0.359 0.000 0.995 325 Q CA -0.579 55.349 55.803 0.208 0.000 0.853 325 Q CB 2.830 31.651 28.738 0.138 0.000 1.300 325 Q HN 0.478 nan 8.270 nan 0.000 0.448 326 V N 2.510 122.635 119.914 0.351 0.000 2.686 326 V HA 0.457 4.601 4.120 0.040 0.000 0.306 326 V C -1.473 174.624 176.094 0.004 0.000 1.065 326 V CA -0.853 61.592 62.300 0.242 0.000 0.894 326 V CB 1.915 33.784 31.823 0.075 0.000 1.004 326 V HN 0.591 nan 8.190 nan 0.000 0.424 327 L N 6.808 127.848 121.223 -0.304 0.000 2.305 327 L HA 0.894 5.258 4.340 0.040 0.000 0.284 327 L C -0.402 176.371 176.870 -0.162 0.000 1.013 327 L CA -0.098 54.439 54.840 -0.506 0.000 0.819 327 L CB 1.587 42.874 42.059 -1.286 0.000 1.227 327 L HN 0.638 nan 8.230 nan 0.000 0.417 328 V N 2.043 121.927 119.914 -0.050 0.000 3.040 328 V HA 1.135 5.279 4.120 0.040 0.000 0.312 328 V C -0.162 175.753 176.094 -0.299 0.000 1.115 328 V CA 0.116 62.375 62.300 -0.068 0.000 0.998 328 V CB 1.229 32.969 31.823 -0.138 0.000 1.042 328 V HN 1.081 nan 8.190 nan 0.000 0.433 329 G N 0.439 108.905 108.800 -0.556 0.000 2.349 329 G HA2 0.722 4.706 3.960 0.040 0.000 0.294 329 G HA3 0.722 4.706 3.960 0.040 0.000 0.294 329 G C -1.243 173.310 174.900 -0.578 0.000 1.380 329 G CA 0.121 44.461 45.100 -1.268 0.000 0.811 329 G HN 2.074 nan 8.290 nan 0.000 0.519 330 V N -2.285 117.418 119.914 -0.351 0.000 3.130 330 V HA 0.928 5.072 4.120 0.040 0.000 0.310 330 V C 0.413 176.690 176.094 0.306 0.000 1.158 330 V CA -0.437 61.898 62.300 0.057 0.000 1.029 330 V CB 1.153 32.994 31.823 0.031 0.000 1.057 330 V HN 1.877 nan 8.190 nan 0.000 0.436 331 V N -0.352 119.755 119.914 0.322 0.000 2.997 331 V HA 0.546 4.690 4.120 0.040 0.000 0.311 331 V C 1.488 177.768 176.094 0.311 0.000 1.066 331 V CA 0.080 62.621 62.300 0.401 0.000 1.039 331 V CB 1.108 33.148 31.823 0.363 0.000 1.081 331 V HN 1.091 nan 8.190 nan 0.000 0.467 332 K N 0.018 120.604 120.400 0.310 0.000 2.063 332 K HA -0.116 4.228 4.320 0.040 0.000 0.208 332 K C 0.379 177.095 176.600 0.194 0.000 1.048 332 K CA 2.070 58.491 56.287 0.224 0.000 0.928 332 K CB 0.050 32.662 32.500 0.187 0.000 0.713 332 K HN 0.912 nan 8.250 nan 0.000 0.442 333 D N 0.869 121.390 120.400 0.202 0.000 2.502 333 D HA 0.038 4.702 4.640 0.040 0.000 0.301 333 D C 0.022 176.445 176.300 0.206 0.000 1.202 333 D CA -0.092 54.014 54.000 0.176 0.000 0.878 333 D CB 1.428 42.307 40.800 0.132 0.000 1.062 333 D HN 0.145 nan 8.370 nan 0.000 0.499 334 E N 0.429 120.769 120.200 0.233 0.000 2.150 334 E HA -0.082 4.292 4.350 0.040 0.000 0.193 334 E C 1.838 178.656 176.600 0.363 0.000 0.985 334 E CA 0.586 57.178 56.400 0.322 0.000 0.814 334 E CB 0.290 30.155 29.700 0.276 0.000 0.752 334 E HN 0.437 nan 8.360 nan 0.000 0.466 335 G N 0.740 109.697 108.800 0.262 0.000 2.887 335 G HA2 -0.101 3.883 3.960 0.040 0.000 0.211 335 G HA3 -0.101 3.883 3.960 0.040 0.000 0.211 335 G C 1.631 176.691 174.900 0.266 0.000 1.152 335 G CA 0.627 45.905 45.100 0.296 0.000 0.769 335 G HN 0.316 nan 8.290 nan 0.000 0.541 336 S N 1.511 117.310 115.700 0.165 0.000 2.359 336 S HA -0.034 4.460 4.470 0.040 0.000 0.224 336 S C 2.550 177.131 174.600 -0.031 0.000 1.035 336 S CA 1.580 59.836 58.200 0.092 0.000 1.018 336 S CB -0.547 62.639 63.200 -0.023 0.000 0.876 336 S HN 0.491 nan 8.310 nan 0.000 0.448 337 A N 0.329 123.041 122.820 -0.180 0.000 2.067 337 A HA 0.260 4.604 4.320 0.040 0.000 0.219 337 A C 1.720 179.155 177.584 -0.248 0.000 1.158 337 A CA 0.773 52.559 52.037 -0.417 0.000 0.661 337 A CB -0.917 17.681 19.000 -0.671 0.000 0.801 337 A HN 0.581 nan 8.150 nan 0.000 0.452 338 F N -0.327 119.586 119.950 -0.061 0.000 2.661 338 F HA 0.114 4.664 4.527 0.039 0.000 0.298 338 F C 1.758 177.608 175.800 0.083 0.000 1.137 338 F CA 0.447 58.436 58.000 -0.018 0.000 1.454 338 F CB -0.146 38.792 39.000 -0.103 0.000 1.103 338 F HN 0.117 nan 8.300 nan 0.000 0.577 339 L N -0.351 120.976 121.223 0.173 0.000 2.179 339 L HA -0.088 4.276 4.340 0.040 0.000 0.208 339 L C 2.345 179.302 176.870 0.145 0.000 1.096 339 L CA 0.695 55.524 54.840 -0.018 0.000 0.779 339 L CB -0.607 41.218 42.059 -0.390 0.000 0.922 339 L HN 0.126 nan 8.230 nan 0.000 0.443 340 V N -4.515 115.549 119.914 0.249 0.000 3.510 340 V HA -0.154 3.990 4.120 0.040 0.000 0.270 340 V C 0.867 176.958 176.094 -0.005 0.000 1.201 340 V CA 0.709 63.140 62.300 0.218 0.000 1.166 340 V CB -1.265 30.732 31.823 0.290 0.000 0.825 340 V HN 0.281 nan 8.190 nan 0.000 0.484 341 Y N 2.060 122.425 120.300 0.108 0.000 2.933 341 Y HA 0.664 5.237 4.550 0.039 0.000 0.380 341 Y C 1.524 177.485 175.900 0.101 0.000 1.056 341 Y CA 0.082 58.224 58.100 0.071 0.000 1.704 341 Y CB 0.324 38.816 38.460 0.054 0.000 1.558 341 Y HN 0.391 nan 8.280 nan 0.000 0.501 342 G N -0.852 108.061 108.800 0.188 0.000 2.183 342 G HA2 -0.199 3.785 3.960 0.040 0.000 0.168 342 G HA3 -0.199 3.785 3.960 0.040 0.000 0.168 342 G C -0.542 174.470 174.900 0.188 0.000 1.008 342 G CA -0.337 44.879 45.100 0.194 0.000 0.677 342 G HN 0.107 nan 8.290 nan 0.000 0.498 343 V N 2.214 122.246 119.914 0.196 0.000 2.372 343 V HA 0.390 4.534 4.120 0.040 0.000 0.261 343 V C -1.617 174.684 176.094 0.346 0.000 1.055 343 V CA -1.578 60.860 62.300 0.231 0.000 0.930 343 V CB 0.952 32.845 31.823 0.116 0.000 1.031 343 V HN 0.137 nan 8.190 nan 0.000 0.479 344 P HA 0.268 nan 4.420 nan 0.000 0.264 344 P C 1.036 178.455 177.300 0.198 0.000 1.193 344 P CA 1.186 64.400 63.100 0.191 0.000 0.763 344 P CB 0.695 32.471 31.700 0.126 0.000 0.810 345 G N 1.444 110.296 108.800 0.087 0.000 2.253 345 G HA2 -0.190 3.794 3.960 0.040 0.000 0.209 345 G HA3 -0.190 3.794 3.960 0.040 0.000 0.209 345 G C -0.256 174.456 174.900 -0.313 0.000 0.997 345 G CA -0.606 44.406 45.100 -0.146 0.000 0.640 345 G HN 0.393 nan 8.290 nan 0.000 0.496 346 F N 1.621 121.598 119.950 0.046 0.000 2.443 346 F HA 0.821 5.371 4.527 0.039 0.000 0.335 346 F C 0.551 176.451 175.800 0.167 0.000 1.104 346 F CA -0.244 57.805 58.000 0.082 0.000 1.013 346 F CB 2.298 41.395 39.000 0.161 0.000 1.136 346 F HN 0.191 nan 8.300 nan 0.000 0.470 347 S N 1.443 117.379 115.700 0.394 0.000 2.550 347 S HA 0.313 4.807 4.470 0.040 0.000 0.270 347 S C 0.230 175.125 174.600 0.492 0.000 1.145 347 S CA -0.839 57.592 58.200 0.385 0.000 0.852 347 S CB 1.451 64.786 63.200 0.225 0.000 1.119 347 S HN 0.752 nan 8.310 nan 0.000 0.465 348 K N 1.176 121.802 120.400 0.377 0.000 2.296 348 K HA 0.141 4.485 4.320 0.040 0.000 0.200 348 K C 0.361 177.010 176.600 0.082 0.000 1.048 348 K CA 1.174 57.596 56.287 0.226 0.000 0.966 348 K CB -0.097 32.361 32.500 -0.070 0.000 0.754 348 K HN 0.445 nan 8.250 nan 0.000 0.466 349 D N 0.986 121.401 120.400 0.025 0.000 2.333 349 D HA -0.026 4.638 4.640 0.040 0.000 0.208 349 D C -0.088 176.238 176.300 0.043 0.000 0.984 349 D CA 0.485 54.467 54.000 -0.030 0.000 0.873 349 D CB 0.019 40.776 40.800 -0.071 0.000 0.935 349 D HN 0.475 nan 8.370 nan 0.000 0.521 350 N N -0.681 118.079 118.700 0.100 0.000 2.545 350 N HA 0.094 4.858 4.740 0.040 0.000 0.289 350 N C 0.352 175.910 175.510 0.079 0.000 1.279 350 N CA -0.556 52.530 53.050 0.061 0.000 0.824 350 N CB 0.887 39.373 38.487 -0.001 0.000 1.395 350 N HN -0.338 nan 8.380 nan 0.000 0.526 351 E N -0.481 119.698 120.200 -0.035 0.000 2.511 351 E HA -0.002 4.372 4.350 0.040 0.000 0.196 351 E C -0.455 175.812 176.600 -0.555 0.000 1.066 351 E CA 0.211 56.509 56.400 -0.171 0.000 0.871 351 E CB -0.371 29.273 29.700 -0.092 0.000 0.863 351 E HN 0.610 nan 8.360 nan 0.000 0.520 352 S N 0.461 115.880 115.700 -0.468 0.000 3.549 352 S HA -0.188 4.306 4.470 0.040 0.000 0.366 352 S C 0.322 174.513 174.600 -0.683 0.000 1.012 352 S CA 0.247 58.054 58.200 -0.655 0.000 1.141 352 S CB -1.696 60.953 63.200 -0.918 0.000 0.910 352 S HN 0.302 nan 8.310 nan 0.000 0.471 353 L N 1.466 122.429 121.223 -0.435 0.000 2.410 353 L HA 0.503 4.867 4.340 0.040 0.000 0.273 353 L C 0.645 177.325 176.870 -0.317 0.000 1.152 353 L CA -0.037 54.606 54.840 -0.328 0.000 0.855 353 L CB 0.272 42.207 42.059 -0.205 0.000 1.129 353 L HN 0.439 nan 8.230 nan 0.000 0.463 354 I N -0.379 120.022 120.570 -0.282 0.000 2.689 354 I HA 0.566 4.760 4.170 0.040 0.000 0.299 354 I C 0.333 176.382 176.117 -0.113 0.000 1.059 354 I CA -0.711 60.446 61.300 -0.237 0.000 1.055 354 I CB 2.090 39.905 38.000 -0.308 0.000 1.243 354 I HN 0.602 nan 8.210 nan 0.000 0.425 355 S N 4.188 119.848 115.700 -0.066 0.000 2.589 355 S HA 0.236 4.730 4.470 0.040 0.000 0.265 355 S C 1.023 175.650 174.600 0.045 0.000 1.342 355 S CA -0.168 58.023 58.200 -0.014 0.000 1.005 355 S CB 1.197 64.395 63.200 -0.003 0.000 0.909 355 S HN 0.914 nan 8.310 nan 0.000 0.555 356 R N 0.917 121.453 120.500 0.059 0.000 2.092 356 R HA -0.050 4.314 4.340 0.040 0.000 0.231 356 R C 2.467 178.861 176.300 0.156 0.000 1.119 356 R CA 1.340 57.518 56.100 0.130 0.000 0.970 356 R CB -0.981 29.374 30.300 0.092 0.000 0.864 356 R HN 0.860 nan 8.270 nan 0.000 0.440 357 A N 0.542 123.418 122.820 0.092 0.000 1.933 357 A HA -0.204 4.140 4.320 0.040 0.000 0.218 357 A C 1.977 179.613 177.584 0.086 0.000 1.175 357 A CA 1.240 53.320 52.037 0.073 0.000 0.628 357 A CB -0.388 18.640 19.000 0.047 0.000 0.814 357 A HN 0.421 nan 8.150 nan 0.000 0.444 358 Q N -1.736 118.122 119.800 0.098 0.000 2.124 358 Q HA -0.145 4.219 4.340 0.040 0.000 0.202 358 Q C 1.860 177.993 176.000 0.222 0.000 0.977 358 Q CA 1.595 57.472 55.803 0.122 0.000 0.850 358 Q CB -0.278 28.500 28.738 0.067 0.000 0.901 358 Q HN 0.825 nan 8.270 nan 0.000 0.429 359 F N 0.902 120.892 119.950 0.067 0.000 2.113 359 F HA -0.209 4.345 4.527 0.044 0.000 0.297 359 F C 1.747 177.593 175.800 0.076 0.000 1.103 359 F CA 0.870 58.922 58.000 0.087 0.000 1.248 359 F CB 0.097 39.133 39.000 0.060 0.000 0.999 359 F HN -0.023 nan 8.300 nan 0.000 0.475 360 L N 0.341 121.498 121.223 -0.110 0.000 2.079 360 L HA -0.231 4.133 4.340 0.040 0.000 0.210 360 L C 2.845 179.647 176.870 -0.112 0.000 1.081 360 L CA 1.189 55.905 54.840 -0.206 0.000 0.752 360 L CB -1.654 40.359 42.059 -0.077 0.000 0.896 360 L HN 0.275 nan 8.230 nan 0.000 0.433 361 A N 0.898 123.710 122.820 -0.013 0.000 1.858 361 A HA -0.093 4.251 4.320 0.040 0.000 0.216 361 A C 2.460 180.063 177.584 0.032 0.000 1.190 361 A CA 1.680 53.729 52.037 0.020 0.000 0.617 361 A CB -1.316 17.717 19.000 0.055 0.000 0.827 361 A HN 0.420 nan 8.150 nan 0.000 0.443 362 G N -0.690 108.161 108.800 0.085 0.000 2.462 362 G HA2 -0.113 3.871 3.960 0.040 0.000 0.220 362 G HA3 -0.113 3.871 3.960 0.040 0.000 0.220 362 G C 1.437 176.350 174.900 0.022 0.000 1.121 362 G CA 1.268 46.433 45.100 0.109 0.000 0.758 362 G HN 0.334 nan 8.290 nan 0.000 0.559 363 V N 0.807 120.669 119.914 -0.086 0.000 2.453 363 V HA -0.084 4.060 4.120 0.040 0.000 0.247 363 V C 2.884 178.940 176.094 -0.063 0.000 1.048 363 V CA 1.406 63.630 62.300 -0.126 0.000 1.049 363 V CB -0.324 31.311 31.823 -0.313 0.000 0.672 363 V HN 0.221 nan 8.190 nan 0.000 0.457 364 R N -0.091 120.377 120.500 -0.052 0.000 2.148 364 R HA 0.048 4.412 4.340 0.040 0.000 0.227 364 R C 1.961 178.253 176.300 -0.014 0.000 1.103 364 R CA 1.261 57.343 56.100 -0.030 0.000 0.983 364 R CB -0.698 29.589 30.300 -0.023 0.000 0.874 364 R HN 0.472 nan 8.270 nan 0.000 0.451 365 I N -0.672 119.899 120.570 0.001 0.000 2.703 365 I HA -0.007 4.187 4.170 0.040 0.000 0.259 365 I C 2.234 178.359 176.117 0.014 0.000 1.151 365 I CA 0.960 62.270 61.300 0.016 0.000 1.470 365 I CB -0.328 37.700 38.000 0.045 0.000 1.112 365 I HN 0.156 nan 8.210 nan 0.000 0.437 366 G N 0.512 109.317 108.800 0.008 0.000 2.421 366 G HA2 -0.060 3.924 3.960 0.040 0.000 0.217 366 G HA3 -0.060 3.924 3.960 0.040 0.000 0.217 366 G C 0.844 175.741 174.900 -0.006 0.000 1.143 366 G CA 0.491 45.594 45.100 0.005 0.000 0.784 366 G HN 0.228 nan 8.290 nan 0.000 0.541 367 V N 1.356 121.249 119.914 -0.034 0.000 2.320 367 V HA 0.220 4.364 4.120 0.040 0.000 0.257 367 V C -1.789 174.289 176.094 -0.028 0.000 0.996 367 V CA -1.046 61.205 62.300 -0.081 0.000 0.928 367 V CB 1.569 33.327 31.823 -0.109 0.000 1.169 367 V HN 0.017 nan 8.190 nan 0.000 0.475 368 P HA -0.167 nan 4.420 nan 0.000 0.221 368 P C 1.487 178.778 177.300 -0.016 0.000 1.145 368 P CA 1.013 64.106 63.100 -0.013 0.000 0.795 368 P CB 0.247 31.937 31.700 -0.016 0.000 0.775 369 Q N -0.880 118.916 119.800 -0.006 0.000 2.360 369 Q HA 0.183 4.547 4.340 0.040 0.000 0.202 369 Q C 0.498 176.485 176.000 -0.021 0.000 0.915 369 Q CA 0.044 55.840 55.803 -0.012 0.000 0.943 369 Q CB -0.381 28.358 28.738 0.002 0.000 1.064 369 Q HN 0.029 nan 8.270 nan 0.000 0.511 370 A N 2.089 124.895 122.820 -0.023 0.000 2.409 370 A HA 0.416 4.760 4.320 0.040 0.000 0.262 370 A C 0.491 178.058 177.584 -0.029 0.000 1.113 370 A CA 0.007 52.026 52.037 -0.030 0.000 0.790 370 A CB 0.332 19.317 19.000 -0.025 0.000 1.046 370 A HN 0.504 nan 8.150 nan 0.000 0.496 371 S N 1.972 117.652 115.700 -0.034 0.000 2.634 371 S HA 0.192 4.686 4.470 0.040 0.000 0.261 371 S C 0.400 174.989 174.600 -0.019 0.000 1.271 371 S CA 0.081 58.264 58.200 -0.028 0.000 0.985 371 S CB 0.363 63.543 63.200 -0.034 0.000 0.968 371 S HN 0.622 nan 8.310 nan 0.000 0.568 372 D N 0.306 120.698 120.400 -0.013 0.000 2.106 372 D HA -0.119 4.545 4.640 0.040 0.000 0.191 372 D C 1.779 178.082 176.300 0.006 0.000 0.997 372 D CA 1.268 55.265 54.000 -0.004 0.000 0.834 372 D CB -0.560 40.239 40.800 -0.001 0.000 0.956 372 D HN 0.401 nan 8.370 nan 0.000 0.448 373 L N 0.678 121.905 121.223 0.007 0.000 2.017 373 L HA -0.066 4.298 4.340 0.040 0.000 0.208 373 L C 2.081 178.973 176.870 0.036 0.000 1.073 373 L CA 1.938 56.793 54.840 0.025 0.000 0.745 373 L CB -0.927 41.142 42.059 0.015 0.000 0.894 373 L HN 0.019 nan 8.230 nan 0.000 0.432 374 A N -0.487 122.333 122.820 -0.000 0.000 1.908 374 A HA -0.141 4.203 4.320 0.040 0.000 0.218 374 A C 2.427 180.030 177.584 0.032 0.000 1.181 374 A CA 2.019 54.049 52.037 -0.011 0.000 0.627 374 A CB -1.181 17.780 19.000 -0.064 0.000 0.818 374 A HN 0.599 nan 8.150 nan 0.000 0.445 375 A N -0.520 122.309 122.820 0.015 0.000 1.929 375 A HA -0.045 4.299 4.320 0.040 0.000 0.216 375 A C 1.941 179.537 177.584 0.020 0.000 1.176 375 A CA 1.880 53.920 52.037 0.005 0.000 0.628 375 A CB -0.400 18.586 19.000 -0.024 0.000 0.816 375 A HN 0.568 nan 8.150 nan 0.000 0.444 376 E N 0.473 120.698 120.200 0.043 0.000 2.110 376 E HA -0.050 4.324 4.350 0.040 0.000 0.193 376 E C 1.921 178.599 176.600 0.128 0.000 0.988 376 E CA 1.465 57.908 56.400 0.071 0.000 0.804 376 E CB -0.382 29.360 29.700 0.069 0.000 0.745 376 E HN 0.462 nan 8.360 nan 0.000 0.458 377 A N 0.162 123.083 122.820 0.170 0.000 1.858 377 A HA -0.142 4.202 4.320 0.040 0.000 0.216 377 A C 2.500 180.213 177.584 0.215 0.000 1.190 377 A CA 1.648 53.845 52.037 0.266 0.000 0.617 377 A CB -0.974 18.288 19.000 0.438 0.000 0.827 377 A HN 0.195 nan 8.150 nan 0.000 0.443 378 V N -0.225 119.826 119.914 0.229 0.000 2.278 378 V HA -0.296 3.848 4.120 0.040 0.000 0.251 378 V C 2.600 178.830 176.094 0.227 0.000 1.062 378 V CA 2.257 64.647 62.300 0.151 0.000 1.038 378 V CB -0.919 30.991 31.823 0.145 0.000 0.646 378 V HN 0.383 nan 8.190 nan 0.000 0.447 379 V N -0.379 119.607 119.914 0.119 0.000 2.295 379 V HA -0.269 3.875 4.120 0.040 0.000 0.246 379 V C 2.265 178.536 176.094 0.295 0.000 1.049 379 V CA 2.214 64.591 62.300 0.129 0.000 1.024 379 V CB -0.550 31.258 31.823 -0.026 0.000 0.648 379 V HN 0.461 nan 8.190 nan 0.000 0.447 380 L N -0.659 120.731 121.223 0.278 0.000 2.141 380 L HA -0.189 4.175 4.340 0.040 0.000 0.209 380 L C 2.494 179.578 176.870 0.357 0.000 1.094 380 L CA 1.855 56.946 54.840 0.418 0.000 0.763 380 L CB -0.728 41.534 42.059 0.339 0.000 0.908 380 L HN 0.485 nan 8.230 nan 0.000 0.437 381 H N -1.101 117.985 119.070 0.026 0.000 2.395 381 H HA -0.151 4.430 4.556 0.043 0.000 0.299 381 H C 1.729 176.949 175.328 -0.181 0.000 1.070 381 H CA 1.583 57.499 56.048 -0.220 0.000 1.356 381 H CB 0.126 29.404 29.762 -0.805 0.000 1.401 381 H HN 0.256 nan 8.280 nan 0.000 0.524 382 Y N 0.243 120.634 120.300 0.152 0.000 2.482 382 Y HA 0.127 4.700 4.550 0.039 0.000 0.270 382 Y C 0.566 176.464 175.900 -0.002 0.000 1.152 382 Y CA 0.158 58.355 58.100 0.161 0.000 1.292 382 Y CB 0.478 39.151 38.460 0.355 0.000 1.070 382 Y HN 0.070 nan 8.280 nan 0.000 0.528 383 T N 0.742 115.288 114.554 -0.012 0.000 2.884 383 T HA 0.001 4.375 4.350 0.040 0.000 0.298 383 T C -0.463 173.906 174.700 -0.553 0.000 0.998 383 T CA -0.419 61.426 62.100 -0.425 0.000 1.124 383 T CB 0.618 68.911 68.868 -0.958 0.000 0.931 383 T HN 0.011 nan 8.240 nan 0.000 0.531 384 D N 1.506 121.663 120.400 -0.404 0.000 2.380 384 D HA 0.187 4.851 4.640 0.040 0.000 0.230 384 D C -0.032 176.065 176.300 -0.338 0.000 1.154 384 D CA -0.657 53.194 54.000 -0.247 0.000 0.859 384 D CB 0.327 41.109 40.800 -0.030 0.000 1.045 384 D HN 0.591 nan 8.370 nan 0.000 0.495 385 W N 2.979 124.252 121.300 -0.046 0.000 2.825 385 W HA 0.080 4.761 4.660 0.035 0.000 0.243 385 W C 1.771 178.211 176.519 -0.132 0.000 1.293 385 W CA -0.238 57.065 57.345 -0.070 0.000 1.403 385 W CB -0.012 29.413 29.460 -0.058 0.000 1.134 385 W HN 0.432 nan 8.180 nan 0.000 0.666 386 L N -1.170 120.017 121.223 -0.060 0.000 2.179 386 L HA -0.077 4.287 4.340 0.040 0.000 0.208 386 L C 0.414 176.917 176.870 -0.612 0.000 1.096 386 L CA 1.140 55.772 54.840 -0.347 0.000 0.779 386 L CB -0.258 41.511 42.059 -0.483 0.000 0.922 386 L HN 0.019 nan 8.230 nan 0.000 0.443 387 H N -1.858 117.112 119.070 -0.166 0.000 2.471 387 H HA 0.164 4.726 4.556 0.011 0.000 0.234 387 H C -1.855 173.307 175.328 -0.276 0.000 1.388 387 H CA -1.400 54.502 56.048 -0.244 0.000 1.198 387 H CB -0.046 29.466 29.762 -0.417 0.000 1.714 387 H HN -0.004 nan 8.280 nan 0.000 0.536 388 P HA -0.128 nan 4.420 nan 0.000 0.231 388 P C 0.251 177.448 177.300 -0.173 0.000 1.158 388 P CA 1.097 64.044 63.100 -0.254 0.000 0.763 388 P CB 0.505 32.106 31.700 -0.165 0.000 0.805 389 E N -0.720 119.419 120.200 -0.101 0.000 2.876 389 E HA 0.071 4.445 4.350 0.040 0.000 0.208 389 E C -0.459 176.103 176.600 -0.064 0.000 0.981 389 E CA -0.297 56.063 56.400 -0.066 0.000 1.174 389 E CB 0.170 29.854 29.700 -0.027 0.000 1.047 389 E HN 0.080 nan 8.360 nan 0.000 0.477 390 D N 1.362 121.709 120.400 -0.089 0.000 2.343 390 D HA 0.057 4.721 4.640 0.040 0.000 0.255 390 D C -1.659 174.611 176.300 -0.049 0.000 1.187 390 D CA -2.076 51.880 54.000 -0.072 0.000 0.875 390 D CB 1.353 42.073 40.800 -0.133 0.000 1.136 390 D HN -0.160 nan 8.370 nan 0.000 0.469 391 P HA -0.118 nan 4.420 nan 0.000 0.216 391 P C 1.135 178.384 177.300 -0.086 0.000 1.150 391 P CA 1.080 64.129 63.100 -0.084 0.000 0.837 391 P CB 0.196 31.839 31.700 -0.095 0.000 0.786 392 T N -1.526 113.007 114.554 -0.035 0.000 2.708 392 T HA -0.183 4.191 4.350 0.040 0.000 0.266 392 T C 1.524 176.214 174.700 -0.016 0.000 1.037 392 T CA 1.677 63.759 62.100 -0.030 0.000 1.146 392 T CB -1.034 67.832 68.868 -0.003 0.000 0.865 392 T HN 0.243 nan 8.240 nan 0.000 0.435 393 H N 0.736 119.738 119.070 -0.113 0.000 2.353 393 H HA 0.122 4.698 4.556 0.034 0.000 0.300 393 H C 2.134 177.349 175.328 -0.189 0.000 1.090 393 H CA 0.946 56.923 56.048 -0.118 0.000 1.327 393 H CB -0.592 29.099 29.762 -0.118 0.000 1.383 393 H HN 0.211 nan 8.280 nan 0.000 0.508 394 L N -0.051 121.100 121.223 -0.120 0.000 2.093 394 L HA -0.137 4.227 4.340 0.040 0.000 0.208 394 L C 2.765 179.485 176.870 -0.250 0.000 1.085 394 L CA 1.068 55.690 54.840 -0.363 0.000 0.755 394 L CB -0.288 41.594 42.059 -0.296 0.000 0.904 394 L HN 0.200 nan 8.230 nan 0.000 0.435 395 R N 0.526 120.967 120.500 -0.098 0.000 2.070 395 R HA -0.181 4.183 4.340 0.040 0.000 0.233 395 R C 1.684 178.053 176.300 0.115 0.000 1.137 395 R CA 2.111 58.238 56.100 0.045 0.000 0.945 395 R CB -0.479 29.737 30.300 -0.140 0.000 0.845 395 R HN 0.312 nan 8.270 nan 0.000 0.430 396 D N 0.388 120.814 120.400 0.042 0.000 2.182 396 D HA -0.119 4.545 4.640 0.040 0.000 0.201 396 D C 1.647 177.987 176.300 0.067 0.000 0.986 396 D CA 1.406 55.454 54.000 0.080 0.000 0.847 396 D CB -0.092 40.713 40.800 0.009 0.000 0.942 396 D HN 0.410 nan 8.370 nan 0.000 0.467 397 A N 0.524 123.329 122.820 -0.025 0.000 1.898 397 A HA -0.091 4.253 4.320 0.040 0.000 0.214 397 A C 2.115 179.684 177.584 -0.025 0.000 1.183 397 A CA 1.152 53.169 52.037 -0.034 0.000 0.622 397 A CB -0.413 18.460 19.000 -0.211 0.000 0.824 397 A HN 0.121 nan 8.150 nan 0.000 0.444 398 M N 0.384 119.993 119.600 0.014 0.000 2.082 398 M HA -0.139 4.365 4.480 0.040 0.000 0.258 398 M C 2.287 178.636 176.300 0.082 0.000 1.069 398 M CA 2.275 57.710 55.300 0.226 0.000 1.102 398 M CB -0.664 32.147 32.600 0.352 0.000 1.336 398 M HN 0.433 nan 8.290 nan 0.000 0.404 399 S N -0.295 115.461 115.700 0.092 0.000 2.353 399 S HA -0.137 4.357 4.470 0.040 0.000 0.222 399 S C 2.100 176.751 174.600 0.084 0.000 1.035 399 S CA 1.907 60.171 58.200 0.108 0.000 1.025 399 S CB -0.810 62.515 63.200 0.209 0.000 0.902 399 S HN 0.655 nan 8.310 nan 0.000 0.440 400 A N 0.946 123.823 122.820 0.094 0.000 1.917 400 A HA -0.046 4.298 4.320 0.040 0.000 0.219 400 A C 2.410 180.007 177.584 0.022 0.000 1.182 400 A CA 1.972 54.086 52.037 0.128 0.000 0.633 400 A CB -1.287 17.869 19.000 0.260 0.000 0.819 400 A HN 0.492 nan 8.150 nan 0.000 0.448 401 V N -0.402 119.383 119.914 -0.215 0.000 2.282 401 V HA -0.282 3.862 4.120 0.040 0.000 0.249 401 V C 2.596 178.621 176.094 -0.114 0.000 1.057 401 V CA 2.250 64.389 62.300 -0.269 0.000 1.032 401 V CB -0.789 30.911 31.823 -0.204 0.000 0.645 401 V HN 0.407 nan 8.190 nan 0.000 0.447 402 V N 0.546 120.414 119.914 -0.077 0.000 2.307 402 V HA -0.138 4.006 4.120 0.040 0.000 0.245 402 V C 2.626 178.605 176.094 -0.191 0.000 1.045 402 V CA 2.100 64.334 62.300 -0.110 0.000 1.024 402 V CB -1.429 30.376 31.823 -0.030 0.000 0.651 402 V HN 0.608 nan 8.190 nan 0.000 0.449 403 G N -0.105 108.655 108.800 -0.067 0.000 2.446 403 G HA2 -0.258 3.726 3.960 0.040 0.000 0.217 403 G HA3 -0.258 3.726 3.960 0.040 0.000 0.217 403 G C 1.221 176.045 174.900 -0.126 0.000 1.168 403 G CA 1.157 46.233 45.100 -0.040 0.000 0.771 403 G HN 0.510 nan 8.290 nan 0.000 0.551 404 D N -0.462 119.874 120.400 -0.107 0.000 2.117 404 D HA -0.059 4.605 4.640 0.040 0.000 0.198 404 D C 2.090 178.076 176.300 -0.524 0.000 0.982 404 D CA 1.207 55.109 54.000 -0.164 0.000 0.828 404 D CB -0.426 40.436 40.800 0.104 0.000 0.967 404 D HN 0.452 nan 8.370 nan 0.000 0.464 405 H N 0.653 119.172 119.070 -0.918 0.000 2.395 405 H HA 0.061 4.641 4.556 0.040 0.000 0.299 405 H C 1.414 176.335 175.328 -0.678 0.000 1.070 405 H CA 1.540 56.841 56.048 -1.245 0.000 1.356 405 H CB 0.141 29.087 29.762 -1.359 0.000 1.401 405 H HN -0.006 nan 8.280 nan 0.000 0.524 406 N N -0.773 117.458 118.700 -0.781 0.000 2.432 406 N HA 0.011 4.775 4.740 0.040 0.000 0.174 406 N C 1.309 176.581 175.510 -0.397 0.000 1.037 406 N CA 1.111 53.656 53.050 -0.843 0.000 0.892 406 N CB 0.966 38.361 38.487 -1.821 0.000 1.049 406 N HN 0.260 nan 8.380 nan 0.000 0.442 407 V N 0.093 119.830 119.914 -0.295 0.000 3.097 407 V HA 0.053 4.197 4.120 0.040 0.000 0.223 407 V C 2.289 178.344 176.094 -0.065 0.000 1.199 407 V CA 0.244 62.512 62.300 -0.052 0.000 1.260 407 V CB -0.400 31.478 31.823 0.092 0.000 1.155 407 V HN -0.164 nan 8.190 nan 0.000 0.509 408 V N 0.066 119.943 119.914 -0.063 0.000 2.324 408 V HA -0.313 3.831 4.120 0.040 0.000 0.250 408 V C 2.460 178.517 176.094 -0.062 0.000 1.060 408 V CA 2.539 64.811 62.300 -0.046 0.000 1.042 408 V CB -0.944 30.879 31.823 -0.001 0.000 0.650 408 V HN 0.672 nan 8.190 nan 0.000 0.450 409 c N -0.714 117.837 118.600 -0.081 0.000 2.475 409 c HA 0.061 4.655 4.570 0.040 0.000 0.279 409 c C 0.552 174.609 174.090 -0.054 0.000 1.322 409 c CA 0.655 56.967 56.329 -0.028 0.000 1.734 409 c CB -1.596 40.938 42.510 0.040 0.000 2.005 409 c HN 0.448 nan 8.230 nan 0.000 0.495 410 P HA -0.089 nan 4.420 nan 0.000 0.216 410 P C 1.777 179.018 177.300 -0.099 0.000 1.153 410 P CA 1.433 64.464 63.100 -0.116 0.000 0.858 410 P CB -0.158 31.447 31.700 -0.158 0.000 0.789 411 V N 0.119 119.975 119.914 -0.095 0.000 2.295 411 V HA -0.268 3.876 4.120 0.040 0.000 0.246 411 V C 2.470 178.468 176.094 -0.159 0.000 1.049 411 V CA 2.290 64.517 62.300 -0.122 0.000 1.024 411 V CB -1.700 30.047 31.823 -0.127 0.000 0.648 411 V HN 0.100 nan 8.190 nan 0.000 0.447 412 A N -0.396 122.347 122.820 -0.128 0.000 1.908 412 A HA -0.354 3.990 4.320 0.040 0.000 0.218 412 A C 2.237 179.787 177.584 -0.057 0.000 1.181 412 A CA 2.435 54.407 52.037 -0.108 0.000 0.627 412 A CB -0.609 18.378 19.000 -0.021 0.000 0.818 412 A HN 0.651 nan 8.150 nan 0.000 0.445 413 Q N -0.879 118.901 119.800 -0.033 0.000 2.084 413 Q HA -0.155 4.209 4.340 0.040 0.000 0.202 413 Q C 1.928 177.904 176.000 -0.040 0.000 0.978 413 Q CA 1.784 57.580 55.803 -0.012 0.000 0.844 413 Q CB -0.336 28.397 28.738 -0.009 0.000 0.898 413 Q HN 0.514 nan 8.270 nan 0.000 0.426 414 L N 0.531 121.703 121.223 -0.085 0.000 1.994 414 L HA -0.062 4.302 4.340 0.040 0.000 0.208 414 L C 2.289 179.082 176.870 -0.128 0.000 1.071 414 L CA 2.315 57.090 54.840 -0.110 0.000 0.745 414 L CB -1.036 40.947 42.059 -0.127 0.000 0.892 414 L HN 0.308 nan 8.230 nan 0.000 0.431 415 A N -0.458 122.250 122.820 -0.186 0.000 1.908 415 A HA -0.102 4.242 4.320 0.040 0.000 0.218 415 A C 2.355 179.923 177.584 -0.026 0.000 1.181 415 A CA 1.687 53.569 52.037 -0.259 0.000 0.627 415 A CB -1.708 16.881 19.000 -0.685 0.000 0.818 415 A HN 0.559 nan 8.150 nan 0.000 0.445 416 G N -0.352 108.490 108.800 0.072 0.000 2.491 416 G HA2 -0.290 3.694 3.960 0.040 0.000 0.218 416 G HA3 -0.290 3.694 3.960 0.040 0.000 0.218 416 G C 1.697 176.669 174.900 0.120 0.000 1.180 416 G CA 1.048 46.268 45.100 0.200 0.000 0.774 416 G HN 0.430 nan 8.290 nan 0.000 0.562 417 R N 0.227 120.762 120.500 0.059 0.000 2.075 417 R HA 0.112 4.476 4.340 0.040 0.000 0.232 417 R C 2.745 179.087 176.300 0.072 0.000 1.126 417 R CA 0.600 56.740 56.100 0.068 0.000 0.963 417 R CB -1.196 29.139 30.300 0.059 0.000 0.858 417 R HN 0.431 nan 8.270 nan 0.000 0.435 418 L N 0.405 121.606 121.223 -0.037 0.000 2.042 418 L HA -0.160 4.204 4.340 0.040 0.000 0.210 418 L C 2.658 179.561 176.870 0.055 0.000 1.076 418 L CA 1.529 56.312 54.840 -0.094 0.000 0.749 418 L CB -0.771 41.139 42.059 -0.248 0.000 0.893 418 L HN 0.146 nan 8.230 nan 0.000 0.432 419 A N 0.226 123.096 122.820 0.082 0.000 1.858 419 A HA -0.179 4.165 4.320 0.040 0.000 0.216 419 A C 2.593 180.231 177.584 0.090 0.000 1.190 419 A CA 1.784 53.883 52.037 0.103 0.000 0.617 419 A CB -0.920 18.180 19.000 0.166 0.000 0.827 419 A HN 0.383 nan 8.150 nan 0.000 0.443 420 A N -0.981 121.897 122.820 0.096 0.000 1.958 420 A HA -0.269 4.075 4.320 0.040 0.000 0.221 420 A C 1.932 179.573 177.584 0.096 0.000 1.178 420 A CA 2.071 54.159 52.037 0.084 0.000 0.642 420 A CB -0.505 18.545 19.000 0.083 0.000 0.816 420 A HN 0.635 nan 8.150 nan 0.000 0.453 421 Q N -2.035 117.853 119.800 0.146 0.000 2.212 421 Q HA 0.391 4.755 4.340 0.040 0.000 0.213 421 Q C 0.919 177.018 176.000 0.166 0.000 0.874 421 Q CA 0.509 56.413 55.803 0.168 0.000 0.965 421 Q CB 0.377 29.269 28.738 0.257 0.000 1.074 421 Q HN 0.894 nan 8.270 nan 0.000 0.473 422 G N -0.493 108.383 108.800 0.128 0.000 2.176 422 G HA2 -0.276 3.708 3.960 0.040 0.000 0.232 422 G HA3 -0.276 3.708 3.960 0.040 0.000 0.232 422 G C 0.311 175.278 174.900 0.113 0.000 0.986 422 G CA -0.190 44.969 45.100 0.099 0.000 0.643 422 G HN 0.544 nan 8.290 nan 0.000 0.522 423 A N 0.130 123.040 122.820 0.150 0.000 2.425 423 A HA 0.648 4.992 4.320 0.040 0.000 0.242 423 A C 0.761 178.376 177.584 0.053 0.000 1.077 423 A CA 0.651 52.755 52.037 0.112 0.000 0.781 423 A CB 0.275 19.318 19.000 0.072 0.000 1.020 423 A HN 0.786 nan 8.150 nan 0.000 0.494 424 R N 1.745 122.271 120.500 0.043 0.000 2.207 424 R HA 0.500 4.864 4.340 0.040 0.000 0.334 424 R C -1.533 174.739 176.300 -0.046 0.000 1.013 424 R CA -0.216 55.873 56.100 -0.018 0.000 0.858 424 R CB 0.452 30.765 30.300 0.022 0.000 1.094 424 R HN 0.474 nan 8.270 nan 0.000 0.457 425 V N 5.782 125.604 119.914 -0.153 0.000 2.495 425 V HA 0.404 4.548 4.120 0.040 0.000 0.298 425 V C -1.056 174.842 176.094 -0.326 0.000 1.031 425 V CA -0.787 61.440 62.300 -0.122 0.000 0.871 425 V CB 1.476 33.300 31.823 0.002 0.000 0.988 425 V HN 0.652 nan 8.190 nan 0.000 0.432 426 Y N 2.202 122.451 120.300 -0.085 0.000 2.364 426 Y HA 0.786 5.360 4.550 0.039 0.000 0.340 426 Y C 0.359 176.322 175.900 0.105 0.000 0.975 426 Y CA -0.523 57.512 58.100 -0.109 0.000 1.089 426 Y CB 2.165 40.189 38.460 -0.727 0.000 1.192 426 Y HN 0.773 nan 8.280 nan 0.000 0.454 427 A N 3.148 126.332 122.820 0.607 0.000 2.380 427 A HA 0.895 5.239 4.320 0.040 0.000 0.315 427 A C -1.784 176.214 177.584 0.689 0.000 1.101 427 A CA -0.673 51.626 52.037 0.437 0.000 0.771 427 A CB 1.125 20.214 19.000 0.148 0.000 1.287 427 A HN 0.767 nan 8.150 nan 0.000 0.436 428 Y N -0.997 119.537 120.300 0.390 0.000 2.638 428 Y HA 0.772 5.346 4.550 0.039 0.000 0.335 428 Y C -1.304 174.766 175.900 0.284 0.000 1.155 428 Y CA -1.518 56.756 58.100 0.290 0.000 1.046 428 Y CB 1.168 39.788 38.460 0.267 0.000 1.303 428 Y HN 0.751 nan 8.280 nan 0.000 0.460 429 I N 2.843 123.728 120.570 0.524 0.000 2.498 429 I HA 0.535 4.729 4.170 0.040 0.000 0.290 429 I C -1.956 174.499 176.117 0.563 0.000 1.032 429 I CA -1.044 60.529 61.300 0.454 0.000 1.073 429 I CB 1.331 39.532 38.000 0.335 0.000 1.251 429 I HN 0.719 nan 8.210 nan 0.000 0.426 430 F N 7.109 127.338 119.950 0.465 0.000 2.385 430 F HA 0.436 4.987 4.527 0.041 0.000 0.360 430 F C 0.530 176.492 175.800 0.270 0.000 1.122 430 F CA 0.028 58.254 58.000 0.376 0.000 1.090 430 F CB 1.054 40.299 39.000 0.409 0.000 1.150 430 F HN 0.568 nan 8.300 nan 0.000 0.472 431 E N 2.756 122.883 120.200 -0.120 0.000 2.601 431 E HA -0.015 4.359 4.350 0.040 0.000 0.219 431 E C -0.705 175.834 176.600 -0.102 0.000 0.964 431 E CA -0.175 56.214 56.400 -0.018 0.000 1.050 431 E CB 0.294 29.989 29.700 -0.009 0.000 1.068 431 E HN 0.527 nan 8.360 nan 0.000 0.496 432 H N 1.590 120.398 119.070 -0.437 0.000 2.620 432 H HA 0.199 4.778 4.556 0.040 0.000 0.313 432 H C -0.317 175.048 175.328 0.060 0.000 1.075 432 H CA -0.254 55.603 56.048 -0.317 0.000 1.397 432 H CB 0.526 29.907 29.762 -0.636 0.000 1.446 432 H HN -0.145 nan 8.280 nan 0.000 0.493 433 R N 4.214 124.440 120.500 -0.456 0.000 2.202 433 R HA 0.473 4.837 4.340 0.040 0.000 0.334 433 R C -0.584 175.541 176.300 -0.293 0.000 1.036 433 R CA -0.669 55.314 56.100 -0.196 0.000 0.878 433 R CB 0.322 30.546 30.300 -0.127 0.000 1.067 433 R HN 0.816 nan 8.270 nan 0.000 0.457 434 A N 3.098 126.046 122.820 0.213 0.000 2.565 434 A HA -0.019 4.325 4.320 0.040 0.000 0.237 434 A C 1.359 179.053 177.584 0.184 0.000 1.053 434 A CA 0.578 52.903 52.037 0.480 0.000 0.755 434 A CB 0.304 19.665 19.000 0.602 0.000 0.980 434 A HN 1.032 nan 8.150 nan 0.000 0.506 435 S N 1.571 117.405 115.700 0.223 0.000 2.383 435 S HA -0.179 4.314 4.470 0.040 0.000 0.227 435 S C 1.576 176.164 174.600 -0.019 0.000 1.026 435 S CA 1.674 59.921 58.200 0.078 0.000 0.981 435 S CB -1.170 62.093 63.200 0.105 0.000 0.818 435 S HN 1.333 nan 8.310 nan 0.000 0.472 436 T N -0.292 114.204 114.554 -0.097 0.000 3.163 436 T HA 0.205 4.579 4.350 0.040 0.000 0.260 436 T C 0.463 175.082 174.700 -0.135 0.000 1.156 436 T CA -0.190 61.788 62.100 -0.203 0.000 1.072 436 T CB -0.747 67.857 68.868 -0.441 0.000 0.937 436 T HN 0.241 nan 8.240 nan 0.000 0.528 437 L N 3.577 124.760 121.223 -0.067 0.000 2.453 437 L HA 0.255 4.619 4.340 0.040 0.000 0.272 437 L C 1.524 178.341 176.870 -0.087 0.000 1.182 437 L CA 0.667 55.462 54.840 -0.076 0.000 0.858 437 L CB 0.900 42.925 42.059 -0.056 0.000 1.120 437 L HN 0.397 nan 8.230 nan 0.000 0.474 438 T N -0.777 113.691 114.554 -0.144 0.000 3.040 438 T HA 0.127 4.501 4.350 0.040 0.000 0.250 438 T C 0.281 175.001 174.700 0.033 0.000 1.058 438 T CA -0.422 61.605 62.100 -0.120 0.000 0.988 438 T CB -0.303 68.371 68.868 -0.324 0.000 0.993 438 T HN 0.391 nan 8.240 nan 0.000 0.519 439 W N 3.271 124.597 121.300 0.043 0.000 2.161 439 W HA 0.445 5.129 4.660 0.039 0.000 0.344 439 W C -2.073 174.363 176.519 -0.139 0.000 1.262 439 W CA -2.294 55.046 57.345 -0.009 0.000 1.270 439 W CB 0.228 29.612 29.460 -0.127 0.000 1.126 439 W HN -0.071 nan 8.180 nan 0.000 0.598 440 P HA -0.009 nan 4.420 nan 0.000 0.272 440 P C 0.784 178.000 177.300 -0.140 0.000 1.223 440 P CA 0.003 63.072 63.100 -0.050 0.000 0.784 440 P CB 0.917 32.605 31.700 -0.021 0.000 0.923 441 L N 0.852 122.067 121.223 -0.012 0.000 2.051 441 L HA -0.180 4.184 4.340 0.040 0.000 0.214 441 L C 2.560 179.447 176.870 0.028 0.000 1.076 441 L CA 2.049 56.898 54.840 0.015 0.000 0.758 441 L CB -0.948 41.154 42.059 0.072 0.000 0.890 441 L HN 0.650 nan 8.230 nan 0.000 0.433 442 W N -0.628 120.709 121.300 0.062 0.000 2.421 442 W HA -0.159 4.525 4.660 0.039 0.000 0.270 442 W C 1.798 178.362 176.519 0.075 0.000 1.233 442 W CA 0.413 57.795 57.345 0.062 0.000 1.226 442 W CB -0.829 28.671 29.460 0.067 0.000 1.121 442 W HN 0.174 nan 8.180 nan 0.000 0.579 443 M N 1.236 120.476 119.600 -0.599 0.000 2.492 443 M HA 0.097 4.601 4.480 0.040 0.000 0.262 443 M C 1.889 178.083 176.300 -0.176 0.000 1.090 443 M CA 1.704 56.658 55.300 -0.577 0.000 1.110 443 M CB -0.478 31.626 32.600 -0.828 0.000 1.407 443 M HN 0.219 nan 8.290 nan 0.000 0.470 444 G N 0.276 109.025 108.800 -0.085 0.000 2.565 444 G HA2 -0.298 3.686 3.960 0.040 0.000 0.295 444 G HA3 -0.298 3.686 3.960 0.040 0.000 0.295 444 G C -0.104 174.799 174.900 0.004 0.000 1.165 444 G CA -0.035 45.064 45.100 -0.002 0.000 0.977 444 G HN 0.237 nan 8.290 nan 0.000 0.546 445 V N 3.742 123.703 119.914 0.078 0.000 2.259 445 V HA 0.486 4.630 4.120 0.040 0.000 0.267 445 V C -1.841 174.368 176.094 0.191 0.000 1.051 445 V CA -0.783 61.619 62.300 0.169 0.000 0.830 445 V CB 1.112 33.101 31.823 0.276 0.000 1.080 445 V HN 0.536 nan 8.190 nan 0.000 0.467 446 P HA 0.210 nan 4.420 nan 0.000 0.278 446 P C -0.238 177.247 177.300 0.309 0.000 1.266 446 P CA -0.653 62.529 63.100 0.137 0.000 0.807 446 P CB 0.398 32.035 31.700 -0.106 0.000 1.094 447 H N 0.211 119.351 119.070 0.117 0.000 3.237 447 H HA 0.227 4.807 4.556 0.039 0.000 0.270 447 H C 1.432 176.740 175.328 -0.033 0.000 0.900 447 H CA 2.377 58.474 56.048 0.081 0.000 1.415 447 H CB -1.030 28.767 29.762 0.058 0.000 1.484 447 H HN 0.726 nan 8.280 nan 0.000 0.540 448 G N 3.529 112.198 108.800 -0.217 0.000 2.284 448 G HA2 -0.267 3.717 3.960 0.040 0.000 0.201 448 G HA3 -0.267 3.717 3.960 0.040 0.000 0.201 448 G C 0.438 175.278 174.900 -0.100 0.000 0.998 448 G CA 0.093 45.022 45.100 -0.286 0.000 0.651 448 G HN 0.588 nan 8.290 nan 0.000 0.489 449 Y N 2.025 122.436 120.300 0.186 0.000 2.495 449 Y HA 0.258 4.832 4.550 0.041 0.000 0.293 449 Y C 2.273 178.280 175.900 0.180 0.000 1.186 449 Y CA 0.859 59.110 58.100 0.252 0.000 1.266 449 Y CB 0.437 39.080 38.460 0.306 0.000 1.101 449 Y HN 0.485 nan 8.280 nan 0.000 0.517 450 E N 0.013 120.176 120.200 -0.061 0.000 2.340 450 E HA -0.051 4.323 4.350 0.040 0.000 0.194 450 E C 1.605 178.080 176.600 -0.209 0.000 0.996 450 E CA 0.601 56.647 56.400 -0.590 0.000 0.869 450 E CB -0.385 28.583 29.700 -1.220 0.000 0.835 450 E HN 0.543 nan 8.360 nan 0.000 0.493 451 I N 3.054 123.591 120.570 -0.054 0.000 2.151 451 I HA -0.325 3.869 4.170 0.040 0.000 0.243 451 I C 2.773 178.871 176.117 -0.032 0.000 1.080 451 I CA 2.218 63.530 61.300 0.020 0.000 1.339 451 I CB -0.577 37.517 38.000 0.157 0.000 1.039 451 I HN 0.215 nan 8.210 nan 0.000 0.409 452 E N 1.258 121.374 120.200 -0.139 0.000 2.160 452 E HA -0.250 4.124 4.350 0.040 0.000 0.195 452 E C 2.075 178.404 176.600 -0.452 0.000 0.991 452 E CA 1.592 57.803 56.400 -0.315 0.000 0.810 452 E CB -0.579 28.902 29.700 -0.364 0.000 0.742 452 E HN 0.452 nan 8.360 nan 0.000 0.466 453 F N 1.476 121.319 119.950 -0.178 0.000 2.098 453 F HA -0.068 4.483 4.527 0.041 0.000 0.294 453 F C 2.452 178.018 175.800 -0.391 0.000 1.107 453 F CA 0.615 58.451 58.000 -0.274 0.000 1.234 453 F CB -0.317 38.600 39.000 -0.138 0.000 1.002 453 F HN -0.047 nan 8.300 nan 0.000 0.472 454 I N -0.564 119.827 120.570 -0.298 0.000 2.194 454 I HA -0.315 3.879 4.170 0.040 0.000 0.246 454 I C 2.244 178.089 176.117 -0.452 0.000 1.093 454 I CA 1.730 62.688 61.300 -0.571 0.000 1.355 454 I CB -1.602 35.904 38.000 -0.823 0.000 1.046 454 I HN 0.093 nan 8.210 nan 0.000 0.413 455 F N 0.821 120.577 119.950 -0.323 0.000 2.558 455 F HA 0.163 4.714 4.527 0.040 0.000 0.298 455 F C 1.896 177.546 175.800 -0.249 0.000 1.119 455 F CA 0.980 58.831 58.000 -0.247 0.000 1.451 455 F CB -0.241 38.602 39.000 -0.262 0.000 1.091 455 F HN 0.309 nan 8.300 nan 0.000 0.563 456 G N 0.038 108.678 108.800 -0.267 0.000 2.142 456 G HA2 -0.276 3.708 3.960 0.040 0.000 0.225 456 G HA3 -0.276 3.708 3.960 0.040 0.000 0.225 456 G C 0.850 175.184 174.900 -0.943 0.000 1.015 456 G CA 0.202 45.024 45.100 -0.462 0.000 0.716 456 G HN 0.286 nan 8.290 nan 0.000 0.508 457 L N 0.187 120.906 121.223 -0.841 0.000 2.201 457 L HA 0.098 4.462 4.340 0.040 0.000 0.212 457 L C 0.192 176.535 176.870 -0.878 0.000 1.105 457 L CA 2.290 56.574 54.840 -0.926 0.000 0.775 457 L CB -0.689 41.075 42.059 -0.491 0.000 0.913 457 L HN 0.164 nan 8.230 nan 0.000 0.440 458 P HA -0.125 nan 4.420 nan 0.000 0.229 458 P C 1.420 178.477 177.300 -0.404 0.000 1.150 458 P CA 0.856 63.409 63.100 -0.912 0.000 0.765 458 P CB 0.087 31.285 31.700 -0.837 0.000 0.783 459 L N -1.295 119.629 121.223 -0.498 0.000 2.313 459 L HA 0.020 4.384 4.340 0.040 0.000 0.214 459 L C 0.971 177.764 176.870 -0.128 0.000 1.119 459 L CA 1.042 55.713 54.840 -0.282 0.000 0.809 459 L CB -0.956 40.942 42.059 -0.267 0.000 0.933 459 L HN -0.076 nan 8.230 nan 0.000 0.449 460 D N 0.840 121.138 120.400 -0.169 0.000 2.344 460 D HA 0.037 4.701 4.640 0.040 0.000 0.253 460 D C -1.448 174.876 176.300 0.041 0.000 1.255 460 D CA -1.836 52.193 54.000 0.049 0.000 0.894 460 D CB 1.328 42.205 40.800 0.129 0.000 1.067 460 D HN 0.040 nan 8.370 nan 0.000 0.492 461 P HA -0.129 nan 4.420 nan 0.000 0.221 461 P C 0.897 178.220 177.300 0.038 0.000 1.150 461 P CA 0.670 63.795 63.100 0.042 0.000 0.800 461 P CB 0.030 31.749 31.700 0.031 0.000 0.787 462 S N -1.136 114.583 115.700 0.032 0.000 2.786 462 S HA 0.091 4.585 4.470 0.040 0.000 0.223 462 S C 1.374 175.974 174.600 0.000 0.000 0.956 462 S CA 0.013 58.219 58.200 0.011 0.000 0.961 462 S CB -1.334 61.870 63.200 0.008 0.000 0.784 462 S HN 0.111 nan 8.310 nan 0.000 0.519 463 L N 0.502 121.740 121.223 0.025 0.000 2.766 463 L HA 0.306 4.670 4.340 0.040 0.000 0.242 463 L C -0.077 176.717 176.870 -0.127 0.000 1.136 463 L CA -0.390 54.440 54.840 -0.018 0.000 0.933 463 L CB -0.414 41.709 42.059 0.106 0.000 1.241 463 L HN 0.209 nan 8.230 nan 0.000 0.522 464 N N -0.245 118.424 118.700 -0.053 0.000 2.727 464 N HA -0.245 4.519 4.740 0.040 0.000 0.249 464 N C -0.648 174.788 175.510 -0.122 0.000 1.048 464 N CA 0.955 53.960 53.050 -0.075 0.000 0.714 464 N CB -1.702 36.724 38.487 -0.101 0.000 0.959 464 N HN 0.302 nan 8.380 nan 0.000 0.544 465 Y N 0.581 120.873 120.300 -0.013 0.000 2.301 465 Y HA 0.191 4.765 4.550 0.039 0.000 0.325 465 Y C 1.859 177.786 175.900 0.045 0.000 1.203 465 Y CA -0.177 57.942 58.100 0.031 0.000 1.255 465 Y CB 0.692 39.164 38.460 0.020 0.000 1.232 465 Y HN 0.113 nan 8.280 nan 0.000 0.501 466 T N -2.218 112.482 114.554 0.243 0.000 2.802 466 T HA 0.009 4.383 4.350 0.040 0.000 0.305 466 T C 1.152 175.934 174.700 0.136 0.000 1.053 466 T CA -0.227 61.965 62.100 0.152 0.000 1.058 466 T CB 0.734 69.683 68.868 0.134 0.000 0.988 466 T HN 0.744 nan 8.240 nan 0.000 0.539 467 T N 1.188 115.791 114.554 0.082 0.000 2.788 467 T HA -0.080 4.294 4.350 0.040 0.000 0.268 467 T C 1.814 176.545 174.700 0.052 0.000 1.044 467 T CA 1.643 63.777 62.100 0.057 0.000 1.139 467 T CB -0.406 68.483 68.868 0.035 0.000 0.867 467 T HN 0.725 nan 8.240 nan 0.000 0.454 468 E N 1.347 121.575 120.200 0.048 0.000 2.085 468 E HA -0.122 4.252 4.350 0.040 0.000 0.194 468 E C 2.232 178.853 176.600 0.036 0.000 0.994 468 E CA 1.185 57.595 56.400 0.016 0.000 0.801 468 E CB -0.199 29.494 29.700 -0.013 0.000 0.743 468 E HN 0.591 nan 8.360 nan 0.000 0.453 469 E N -0.086 120.180 120.200 0.110 0.000 2.150 469 E HA -0.120 4.254 4.350 0.040 0.000 0.193 469 E C 2.074 178.776 176.600 0.170 0.000 0.985 469 E CA 0.315 56.846 56.400 0.218 0.000 0.814 469 E CB 0.018 30.000 29.700 0.471 0.000 0.752 469 E HN 0.028 nan 8.360 nan 0.000 0.466 470 R N 1.125 121.673 120.500 0.080 0.000 2.081 470 R HA -0.143 4.221 4.340 0.040 0.000 0.235 470 R C 2.112 178.409 176.300 -0.005 0.000 1.131 470 R CA 1.204 57.301 56.100 -0.006 0.000 0.960 470 R CB -0.339 29.959 30.300 -0.004 0.000 0.856 470 R HN 0.210 nan 8.270 nan 0.000 0.436 471 I N 0.164 120.750 120.570 0.027 0.000 2.202 471 I HA -0.276 3.918 4.170 0.040 0.000 0.242 471 I C 2.321 178.469 176.117 0.052 0.000 1.091 471 I CA 1.044 62.357 61.300 0.021 0.000 1.368 471 I CB -0.470 37.543 38.000 0.022 0.000 1.058 471 I HN 0.076 nan 8.210 nan 0.000 0.410 472 F N 2.069 121.952 119.950 -0.112 0.000 2.126 472 F HA -0.244 4.307 4.527 0.042 0.000 0.299 472 F C 2.425 178.171 175.800 -0.091 0.000 1.096 472 F CA 1.269 59.181 58.000 -0.147 0.000 1.255 472 F CB -0.628 38.201 39.000 -0.286 0.000 0.997 472 F HN 0.023 nan 8.300 nan 0.000 0.479 473 A N -0.280 122.469 122.820 -0.118 0.000 1.933 473 A HA -0.215 4.129 4.320 0.040 0.000 0.218 473 A C 2.171 179.622 177.584 -0.220 0.000 1.175 473 A CA 1.683 53.597 52.037 -0.205 0.000 0.628 473 A CB -0.809 18.104 19.000 -0.146 0.000 0.814 473 A HN 0.579 nan 8.150 nan 0.000 0.444 474 Q N -0.927 118.781 119.800 -0.152 0.000 2.119 474 Q HA -0.111 4.253 4.340 0.040 0.000 0.201 474 Q C 2.379 178.268 176.000 -0.184 0.000 0.972 474 Q CA 1.357 57.077 55.803 -0.138 0.000 0.847 474 Q CB -0.117 28.568 28.738 -0.088 0.000 0.903 474 Q HN 0.611 nan 8.270 nan 0.000 0.433 475 R N 0.056 120.429 120.500 -0.211 0.000 2.081 475 R HA -0.113 4.251 4.340 0.040 0.000 0.235 475 R C 2.194 178.196 176.300 -0.497 0.000 1.131 475 R CA 1.135 57.023 56.100 -0.354 0.000 0.960 475 R CB -0.164 30.001 30.300 -0.224 0.000 0.856 475 R HN 0.250 nan 8.270 nan 0.000 0.436 476 L N -0.232 120.787 121.223 -0.339 0.000 2.072 476 L HA -0.130 4.234 4.340 0.040 0.000 0.205 476 L C 2.464 179.275 176.870 -0.099 0.000 1.079 476 L CA 1.105 55.839 54.840 -0.177 0.000 0.752 476 L CB -0.292 41.521 42.059 -0.410 0.000 0.906 476 L HN 0.224 nan 8.230 nan 0.000 0.436 477 M N -0.577 118.910 119.600 -0.189 0.000 2.149 477 M HA -0.220 4.284 4.480 0.040 0.000 0.261 477 M C 2.297 178.589 176.300 -0.014 0.000 1.064 477 M CA 1.661 56.888 55.300 -0.120 0.000 1.102 477 M CB -0.289 32.229 32.600 -0.137 0.000 1.369 477 M HN 0.087 nan 8.290 nan 0.000 0.408 478 K N -0.425 119.928 120.400 -0.078 0.000 2.057 478 K HA -0.133 4.211 4.320 0.040 0.000 0.206 478 K C 1.888 178.533 176.600 0.074 0.000 1.050 478 K CA 1.511 57.764 56.287 -0.057 0.000 0.935 478 K CB -0.264 32.136 32.500 -0.166 0.000 0.715 478 K HN 0.326 nan 8.250 nan 0.000 0.439 479 Y N -0.186 120.241 120.300 0.213 0.000 2.114 479 Y HA -0.214 4.359 4.550 0.040 0.000 0.284 479 Y C 2.405 178.445 175.900 0.234 0.000 1.143 479 Y CA 0.777 59.035 58.100 0.263 0.000 1.135 479 Y CB -0.840 37.907 38.460 0.480 0.000 0.980 479 Y HN 0.204 nan 8.280 nan 0.000 0.499 480 W N 0.590 121.967 121.300 0.128 0.000 2.355 480 W HA -0.222 4.462 4.660 0.039 0.000 0.309 480 W C 2.502 179.035 176.519 0.024 0.000 1.206 480 W CA 2.203 59.571 57.345 0.038 0.000 1.284 480 W CB -0.642 28.767 29.460 -0.084 0.000 1.145 480 W HN 0.233 nan 8.180 nan 0.000 0.502 481 T N -2.235 112.434 114.554 0.191 0.000 2.904 481 T HA -0.129 4.245 4.350 0.040 0.000 0.267 481 T C 1.425 176.159 174.700 0.057 0.000 1.059 481 T CA 1.167 63.308 62.100 0.069 0.000 1.137 481 T CB -0.559 68.325 68.868 0.026 0.000 0.879 481 T HN -0.103 nan 8.240 nan 0.000 0.467 482 N N 0.937 119.690 118.700 0.089 0.000 2.120 482 N HA 0.008 4.772 4.740 0.040 0.000 0.188 482 N C 1.319 176.847 175.510 0.030 0.000 1.024 482 N CA 0.920 54.004 53.050 0.057 0.000 0.852 482 N CB -0.703 37.836 38.487 0.086 0.000 1.003 482 N HN 0.481 nan 8.380 nan 0.000 0.424 483 F N 1.460 121.341 119.950 -0.116 0.000 2.171 483 F HA -0.082 4.469 4.527 0.041 0.000 0.300 483 F C 2.090 177.822 175.800 -0.114 0.000 1.090 483 F CA 1.319 59.205 58.000 -0.191 0.000 1.293 483 F CB -0.439 38.364 39.000 -0.328 0.000 1.013 483 F HN 0.038 nan 8.300 nan 0.000 0.486 484 A N 0.408 123.152 122.820 -0.126 0.000 1.902 484 A HA -0.162 4.182 4.320 0.040 0.000 0.217 484 A C 2.370 179.849 177.584 -0.174 0.000 1.181 484 A CA 1.579 53.510 52.037 -0.177 0.000 0.623 484 A CB -0.718 18.247 19.000 -0.058 0.000 0.818 484 A HN 0.430 nan 8.150 nan 0.000 0.443 485 R N -1.167 119.265 120.500 -0.114 0.000 2.115 485 R HA -0.084 4.280 4.340 0.040 0.000 0.230 485 R C 1.646 177.875 176.300 -0.119 0.000 1.111 485 R CA 1.817 57.863 56.100 -0.089 0.000 0.976 485 R CB -0.052 30.221 30.300 -0.046 0.000 0.870 485 R HN 0.748 nan 8.270 nan 0.000 0.445 486 T N -6.835 107.622 114.554 -0.162 0.000 3.092 486 T HA 0.223 4.597 4.350 0.040 0.000 0.273 486 T C 1.077 175.672 174.700 -0.175 0.000 0.898 486 T CA 0.326 62.347 62.100 -0.132 0.000 0.868 486 T CB 1.307 70.133 68.868 -0.070 0.000 1.228 486 T HN 0.265 nan 8.240 nan 0.000 0.555 487 G N 1.332 109.915 108.800 -0.362 0.000 2.159 487 G HA2 -0.169 3.815 3.960 0.040 0.000 0.256 487 G HA3 -0.169 3.815 3.960 0.040 0.000 0.256 487 G C -0.371 174.509 174.900 -0.032 0.000 0.977 487 G CA 0.219 45.057 45.100 -0.437 0.000 0.652 487 G HN 0.790 nan 8.290 nan 0.000 0.531 488 D N -0.493 119.881 120.400 -0.042 0.000 2.696 488 D HA 0.494 5.158 4.640 0.040 0.000 0.251 488 D C -1.175 175.013 176.300 -0.186 0.000 1.188 488 D CA -1.843 52.086 54.000 -0.119 0.000 0.876 488 D CB 2.163 42.955 40.800 -0.014 0.000 1.334 488 D HN 0.003 nan 8.370 nan 0.000 0.540 489 P HA -0.051 nan 4.420 nan 0.000 0.229 489 P C 0.048 177.366 177.300 0.030 0.000 1.160 489 P CA 0.124 63.073 63.100 -0.251 0.000 0.777 489 P CB 0.372 31.634 31.700 -0.730 0.000 0.814 490 N N 1.824 120.501 118.700 -0.038 0.000 2.492 490 N HA -0.017 4.747 4.740 0.040 0.000 0.260 490 N C 0.175 175.751 175.510 0.110 0.000 1.215 490 N CA 0.517 53.638 53.050 0.119 0.000 0.923 490 N CB 0.408 38.953 38.487 0.098 0.000 1.092 490 N HN 0.064 nan 8.380 nan 0.000 0.448 491 D N 2.653 123.135 120.400 0.137 0.000 2.346 491 D HA 0.054 4.718 4.640 0.040 0.000 0.260 491 D C -1.330 175.010 176.300 0.066 0.000 1.252 491 D CA -1.322 52.730 54.000 0.087 0.000 0.895 491 D CB 1.049 41.896 40.800 0.078 0.000 1.097 491 D HN 0.334 nan 8.370 nan 0.000 0.489 492 P HA -0.053 nan 4.420 nan 0.000 0.237 492 P C 0.815 178.136 177.300 0.035 0.000 1.178 492 P CA 0.625 63.749 63.100 0.039 0.000 0.766 492 P CB 0.309 32.024 31.700 0.026 0.000 0.876 493 R N -0.130 120.391 120.500 0.035 0.000 2.446 493 R HA 0.178 4.542 4.340 0.040 0.000 0.254 493 R C 0.492 176.812 176.300 0.033 0.000 0.918 493 R CA 0.299 56.417 56.100 0.030 0.000 1.069 493 R CB -0.994 29.320 30.300 0.023 0.000 1.194 493 R HN 0.269 nan 8.270 nan 0.000 0.534 494 D N -0.919 119.506 120.400 0.042 0.000 2.253 494 D HA 0.417 5.081 4.640 0.040 0.000 0.249 494 D C 0.222 176.553 176.300 0.052 0.000 1.049 494 D CA 0.196 54.224 54.000 0.045 0.000 0.929 494 D CB 1.886 42.717 40.800 0.051 0.000 1.176 494 D HN 0.127 nan 8.370 nan 0.000 0.437 495 S N 1.457 117.185 115.700 0.048 0.000 2.702 495 S HA 0.361 4.855 4.470 0.040 0.000 0.272 495 S C 0.623 175.256 174.600 0.056 0.000 1.068 495 S CA 0.236 58.466 58.200 0.050 0.000 0.964 495 S CB 0.481 63.705 63.200 0.039 0.000 1.307 495 S HN 0.737 nan 8.310 nan 0.000 0.567 496 K N -0.038 120.392 120.400 0.049 0.000 10.999 496 K HA -0.391 3.953 4.320 0.040 0.000 0.527 496 K C 1.025 177.662 176.600 0.061 0.000 0.419 496 K CA 3.768 60.084 56.287 0.048 0.000 1.889 496 K CB -2.299 30.225 32.500 0.040 0.000 0.812 496 K HN 1.553 nan 8.250 nan 0.000 1.235 497 S N -1.512 114.232 115.700 0.074 0.000 4.159 497 S HA -0.222 4.272 4.470 0.040 0.000 0.545 497 S C -2.102 172.552 174.600 0.091 0.000 1.865 497 S CA 0.998 59.259 58.200 0.101 0.000 4.250 497 S CB -2.925 60.352 63.200 0.128 0.000 0.206 497 S HN 0.591 nan 8.310 nan 0.000 0.454 498 P HA 0.341 nan 4.420 nan 0.000 0.270 498 P C -0.173 177.196 177.300 0.114 0.000 1.227 498 P CA -0.085 63.061 63.100 0.076 0.000 0.788 498 P CB 0.209 31.938 31.700 0.048 0.000 0.926 499 Q N 0.076 119.952 119.800 0.127 0.000 2.373 499 Q HA 0.071 4.435 4.340 0.040 0.000 0.255 499 Q C -0.499 175.649 176.000 0.247 0.000 0.980 499 Q CA 0.157 56.070 55.803 0.183 0.000 0.882 499 Q CB 0.476 29.311 28.738 0.162 0.000 1.249 499 Q HN 0.528 nan 8.270 nan 0.000 0.438 500 W N 6.423 127.764 121.300 0.068 0.000 2.416 500 W HA 0.276 4.961 4.660 0.042 0.000 0.318 500 W C -2.442 174.205 176.519 0.212 0.000 1.150 500 W CA -2.462 54.930 57.345 0.078 0.000 1.392 500 W CB 0.270 29.702 29.460 -0.047 0.000 1.311 500 W HN 0.387 nan 8.180 nan 0.000 0.436 501 P HA 0.329 nan 4.420 nan 0.000 0.282 501 P C -2.677 174.851 177.300 0.380 0.000 1.259 501 P CA -1.902 61.443 63.100 0.408 0.000 0.826 501 P CB 1.083 32.925 31.700 0.238 0.000 1.064 502 P HA 0.109 nan 4.420 nan 0.000 0.271 502 P C -0.646 176.648 177.300 -0.010 0.000 1.218 502 P CA 0.080 63.007 63.100 -0.289 0.000 0.780 502 P CB 0.072 31.563 31.700 -0.348 0.000 0.901 503 Y N 2.660 122.902 120.300 -0.097 0.000 2.377 503 Y HA 0.358 4.931 4.550 0.039 0.000 0.330 503 Y C 0.394 176.282 175.900 -0.020 0.000 1.108 503 Y CA 0.725 58.836 58.100 0.019 0.000 1.308 503 Y CB 0.349 38.839 38.460 0.050 0.000 1.216 503 Y HN 0.402 nan 8.280 nan 0.000 0.518 504 T N 0.171 114.463 114.554 -0.437 0.000 2.896 504 T HA 0.228 4.602 4.350 0.040 0.000 0.297 504 T C 0.784 175.245 174.700 -0.398 0.000 1.108 504 T CA -0.214 61.731 62.100 -0.258 0.000 1.004 504 T CB 1.284 70.065 68.868 -0.145 0.000 1.159 504 T HN 0.660 nan 8.240 nan 0.000 0.499 505 T N -0.721 113.740 114.554 -0.155 0.000 2.904 505 T HA 0.066 4.440 4.350 0.040 0.000 0.267 505 T C 2.182 176.822 174.700 -0.099 0.000 1.059 505 T CA 1.052 63.097 62.100 -0.093 0.000 1.137 505 T CB -0.770 68.105 68.868 0.011 0.000 0.879 505 T HN 0.863 nan 8.240 nan 0.000 0.467 506 A N 1.989 124.756 122.820 -0.087 0.000 1.832 506 A HA 0.445 4.789 4.320 0.040 0.000 0.214 506 A C 2.789 180.327 177.584 -0.076 0.000 1.200 506 A CA 1.825 53.827 52.037 -0.058 0.000 0.610 506 A CB -1.429 17.547 19.000 -0.039 0.000 0.842 506 A HN 0.791 nan 8.150 nan 0.000 0.444 507 A N -2.036 120.718 122.820 -0.108 0.000 2.021 507 A HA 0.161 4.505 4.320 0.040 0.000 0.216 507 A C 1.022 178.534 177.584 -0.120 0.000 1.163 507 A CA 1.009 52.994 52.037 -0.087 0.000 0.676 507 A CB -0.397 18.566 19.000 -0.063 0.000 0.818 507 A HN 0.635 nan 8.150 nan 0.000 0.453 508 Q N -0.506 119.108 119.800 -0.310 0.000 2.457 508 Q HA -0.230 4.134 4.340 0.040 0.000 0.283 508 Q C -0.744 175.239 176.000 -0.028 0.000 1.234 508 Q CA 0.699 56.236 55.803 -0.443 0.000 0.877 508 Q CB -2.007 26.671 28.738 -0.101 0.000 1.250 508 Q HN 0.844 nan 8.270 nan 0.000 0.481 509 Q N 0.495 120.285 119.800 -0.016 0.000 2.304 509 Q HA 0.409 4.773 4.340 0.040 0.000 0.260 509 Q C -0.314 175.958 176.000 0.453 0.000 0.965 509 Q CA 0.149 56.057 55.803 0.174 0.000 0.898 509 Q CB 0.428 29.227 28.738 0.102 0.000 1.196 509 Q HN 0.348 nan 8.270 nan 0.000 0.402 510 Y N -1.041 119.400 120.300 0.235 0.000 2.677 510 Y HA 0.766 5.339 4.550 0.039 0.000 0.334 510 Y C -0.960 174.962 175.900 0.037 0.000 1.154 510 Y CA -1.504 56.739 58.100 0.239 0.000 1.070 510 Y CB 0.554 39.156 38.460 0.236 0.000 1.294 510 Y HN 0.335 nan 8.280 nan 0.000 0.475 511 V N -0.677 119.187 119.914 -0.083 0.000 2.960 511 V HA 0.880 5.024 4.120 0.040 0.000 0.315 511 V C -0.449 175.558 176.094 -0.146 0.000 1.087 511 V CA -0.577 61.503 62.300 -0.367 0.000 0.982 511 V CB 1.380 32.704 31.823 -0.831 0.000 1.039 511 V HN 1.251 nan 8.190 nan 0.000 0.437 512 S N 2.789 118.397 115.700 -0.153 0.000 2.462 512 S HA 0.739 5.233 4.470 0.040 0.000 0.294 512 S C -0.574 173.985 174.600 -0.068 0.000 1.144 512 S CA -0.700 57.485 58.200 -0.025 0.000 1.088 512 S CB 0.817 64.002 63.200 -0.025 0.000 1.009 512 S HN 0.803 nan 8.310 nan 0.000 0.484 513 L N 4.294 125.521 121.223 0.008 0.000 2.272 513 L HA 0.478 4.842 4.340 0.040 0.000 0.284 513 L C -0.134 176.635 176.870 -0.170 0.000 1.045 513 L CA -0.458 54.411 54.840 0.048 0.000 0.842 513 L CB -0.365 41.807 42.059 0.189 0.000 1.224 513 L HN 0.868 nan 8.230 nan 0.000 0.430 514 N N 2.142 120.651 118.700 -0.319 0.000 3.387 514 N HA 0.439 5.203 4.740 0.040 0.000 0.322 514 N C 0.382 175.271 175.510 -1.035 0.000 1.588 514 N CA -0.984 51.645 53.050 -0.702 0.000 0.778 514 N CB 0.707 38.978 38.487 -0.359 0.000 1.883 514 N HN 0.147 nan 8.380 nan 0.000 0.628 515 L N -0.673 120.033 121.223 -0.862 0.000 2.156 515 L HA 0.081 4.445 4.340 0.040 0.000 0.208 515 L C 0.681 177.345 176.870 -0.343 0.000 1.095 515 L CA 0.958 55.379 54.840 -0.699 0.000 0.770 515 L CB -0.456 41.320 42.059 -0.472 0.000 0.914 515 L HN 0.413 nan 8.230 nan 0.000 0.439 516 K N 0.389 120.642 120.400 -0.245 0.000 2.286 516 K HA 0.106 4.450 4.320 0.040 0.000 0.256 516 K C -2.115 174.429 176.600 -0.095 0.000 0.999 516 K CA -1.464 54.742 56.287 -0.135 0.000 0.908 516 K CB -0.270 32.166 32.500 -0.107 0.000 0.981 516 K HN -0.117 nan 8.250 nan 0.000 0.500 517 P HA 0.056 nan 4.420 nan 0.000 0.275 517 P C -0.292 177.003 177.300 -0.009 0.000 1.266 517 P CA -0.455 62.647 63.100 0.003 0.000 0.793 517 P CB 0.407 32.115 31.700 0.013 0.000 1.074 518 L N 0.757 121.992 121.223 0.020 0.000 2.578 518 L HA -0.017 4.347 4.340 0.040 0.000 0.279 518 L C 1.052 177.881 176.870 -0.068 0.000 1.227 518 L CA 0.823 55.636 54.840 -0.045 0.000 0.900 518 L CB -0.268 41.762 42.059 -0.049 0.000 1.144 518 L HN 0.520 nan 8.230 nan 0.000 0.496 519 E N 3.238 123.371 120.200 -0.112 0.000 2.210 519 E HA 0.418 4.792 4.350 0.040 0.000 0.266 519 E C -1.499 174.999 176.600 -0.170 0.000 0.883 519 E CA -0.795 55.538 56.400 -0.110 0.000 0.761 519 E CB 2.072 31.715 29.700 -0.095 0.000 1.156 519 E HN 0.297 nan 8.360 nan 0.000 0.412 520 V N 5.099 124.925 119.914 -0.147 0.000 2.383 520 V HA 0.431 4.575 4.120 0.040 0.000 0.275 520 V C 0.289 176.245 176.094 -0.230 0.000 1.036 520 V CA -0.382 61.811 62.300 -0.179 0.000 0.889 520 V CB 0.864 32.640 31.823 -0.078 0.000 0.985 520 V HN 0.686 nan 8.190 nan 0.000 0.459 521 R N 3.956 124.195 120.500 -0.435 0.000 2.923 521 R HA 0.789 5.153 4.340 0.040 0.000 0.252 521 R C -0.794 175.304 176.300 -0.336 0.000 1.130 521 R CA -1.089 54.741 56.100 -0.451 0.000 1.043 521 R CB 2.181 32.077 30.300 -0.672 0.000 1.205 521 R HN 0.557 nan 8.270 nan 0.000 0.495 522 R N -0.205 120.262 120.500 -0.055 0.000 2.532 522 R HA 0.441 4.805 4.340 0.040 0.000 0.297 522 R C -0.985 175.490 176.300 0.292 0.000 0.984 522 R CA -0.449 55.730 56.100 0.131 0.000 0.884 522 R CB 2.266 32.600 30.300 0.057 0.000 1.182 522 R HN 0.912 nan 8.270 nan 0.000 0.442 523 G N 2.721 111.749 108.800 0.379 0.000 3.399 523 G HA2 -0.222 3.762 3.960 0.040 0.000 0.685 523 G HA3 -0.222 3.762 3.960 0.040 0.000 0.685 523 G C -0.751 174.339 174.900 0.317 0.000 0.952 523 G CA -0.896 44.387 45.100 0.305 0.000 0.793 523 G HN 0.528 nan 8.290 nan 0.000 0.492 524 L N 4.301 125.590 121.223 0.109 0.000 2.328 524 L HA 0.368 4.732 4.340 0.040 0.000 0.280 524 L C 1.370 178.247 176.870 0.012 0.000 1.111 524 L CA -0.932 53.814 54.840 -0.158 0.000 0.909 524 L CB 0.162 42.050 42.059 -0.286 0.000 1.277 524 L HN 0.757 nan 8.230 nan 0.000 0.433 525 R N 2.020 122.567 120.500 0.077 0.000 3.322 525 R HA -0.266 4.098 4.340 0.040 0.000 0.253 525 R C 1.101 177.492 176.300 0.150 0.000 0.987 525 R CA 0.643 56.822 56.100 0.131 0.000 0.666 525 R CB -2.027 28.360 30.300 0.145 0.000 1.072 525 R HN 0.800 nan 8.270 nan 0.000 0.447 526 A N 0.705 123.612 122.820 0.145 0.000 1.883 526 A HA -0.238 4.106 4.320 0.040 0.000 0.217 526 A C 2.094 179.768 177.584 0.149 0.000 1.186 526 A CA 1.238 53.361 52.037 0.143 0.000 0.624 526 A CB -0.103 18.977 19.000 0.133 0.000 0.822 526 A HN 0.399 nan 8.150 nan 0.000 0.444 527 Q N -0.481 119.404 119.800 0.142 0.000 2.030 527 Q HA -0.137 4.227 4.340 0.040 0.000 0.204 527 Q C 2.258 178.385 176.000 0.210 0.000 0.986 527 Q CA 2.196 58.089 55.803 0.150 0.000 0.843 527 Q CB -1.323 27.484 28.738 0.116 0.000 0.904 527 Q HN 0.656 nan 8.270 nan 0.000 0.420 528 T N 0.726 115.419 114.554 0.232 0.000 2.746 528 T HA -0.126 4.248 4.350 0.040 0.000 0.267 528 T C 2.090 177.006 174.700 0.359 0.000 1.039 528 T CA 1.262 63.521 62.100 0.265 0.000 1.142 528 T CB -0.325 68.722 68.868 0.299 0.000 0.866 528 T HN 0.322 nan 8.240 nan 0.000 0.444 529 c N 1.559 120.353 118.600 0.322 0.000 2.440 529 c HA 0.159 4.753 4.570 0.040 0.000 0.278 529 c C 3.182 177.441 174.090 0.282 0.000 1.295 529 c CA 0.126 56.655 56.329 0.333 0.000 1.738 529 c CB -1.411 41.227 42.510 0.212 0.000 1.987 529 c HN 0.650 nan 8.230 nan 0.000 0.492 530 A N 0.285 123.237 122.820 0.219 0.000 1.917 530 A HA -0.256 4.088 4.320 0.040 0.000 0.219 530 A C 1.919 179.616 177.584 0.188 0.000 1.182 530 A CA 1.974 54.118 52.037 0.178 0.000 0.633 530 A CB -0.910 18.178 19.000 0.148 0.000 0.819 530 A HN 0.587 nan 8.150 nan 0.000 0.448 531 F N -1.089 118.872 119.950 0.019 0.000 2.095 531 F HA -0.199 4.354 4.527 0.043 0.000 0.298 531 F C 1.978 177.747 175.800 -0.051 0.000 1.104 531 F CA 1.949 59.889 58.000 -0.101 0.000 1.232 531 F CB -0.413 38.297 39.000 -0.483 0.000 0.987 531 F HN 0.389 nan 8.300 nan 0.000 0.475 532 W N 0.397 121.753 121.300 0.094 0.000 2.453 532 W HA -0.089 4.594 4.660 0.038 0.000 0.289 532 W C 2.144 178.641 176.519 -0.037 0.000 1.215 532 W CA 0.842 58.194 57.345 0.011 0.000 1.297 532 W CB -0.383 29.184 29.460 0.179 0.000 1.113 532 W HN -0.056 nan 8.180 nan 0.000 0.551 533 N N -0.661 118.179 118.700 0.234 0.000 2.395 533 N HA 0.032 4.796 4.740 0.040 0.000 0.175 533 N C 1.544 177.095 175.510 0.068 0.000 1.029 533 N CA 0.882 54.013 53.050 0.134 0.000 0.897 533 N CB -0.187 38.374 38.487 0.123 0.000 0.991 533 N HN 0.189 nan 8.380 nan 0.000 0.441 534 R N -1.562 118.978 120.500 0.065 0.000 2.257 534 R HA 0.219 4.583 4.340 0.040 0.000 0.195 534 R C 1.137 177.468 176.300 0.051 0.000 0.921 534 R CA -0.006 56.129 56.100 0.059 0.000 1.069 534 R CB 0.133 30.487 30.300 0.090 0.000 1.115 534 R HN 0.072 nan 8.270 nan 0.000 0.571 535 F N 1.397 121.240 119.950 -0.178 0.000 2.202 535 F HA 0.101 4.653 4.527 0.041 0.000 0.279 535 F C 1.969 177.573 175.800 -0.326 0.000 1.077 535 F CA 0.767 58.617 58.000 -0.251 0.000 1.193 535 F CB -0.512 38.312 39.000 -0.295 0.000 1.090 535 F HN -0.200 nan 8.300 nan 0.000 0.516 536 L N 0.780 121.605 121.223 -0.662 0.000 2.064 536 L HA -0.239 4.125 4.340 0.040 0.000 0.216 536 L C -0.466 176.162 176.870 -0.403 0.000 1.077 536 L CA 2.122 56.573 54.840 -0.648 0.000 0.766 536 L CB -2.095 39.618 42.059 -0.576 0.000 0.890 536 L HN 0.164 nan 8.230 nan 0.000 0.435 537 P HA -0.215 nan 4.420 nan 0.000 0.216 537 P C 1.401 178.576 177.300 -0.208 0.000 1.157 537 P CA 1.611 64.613 63.100 -0.163 0.000 0.880 537 P CB -0.008 31.635 31.700 -0.095 0.000 0.791 538 K N -1.488 118.749 120.400 -0.270 0.000 2.147 538 K HA -0.137 4.207 4.320 0.040 0.000 0.205 538 K C 1.911 178.312 176.600 -0.332 0.000 1.049 538 K CA 0.835 56.964 56.287 -0.264 0.000 0.936 538 K CB -0.686 31.669 32.500 -0.242 0.000 0.722 538 K HN 0.033 nan 8.250 nan 0.000 0.446 539 L N 1.123 122.041 121.223 -0.509 0.000 1.971 539 L HA -0.023 4.341 4.340 0.040 0.000 0.208 539 L C 0.251 176.973 176.870 -0.246 0.000 1.083 539 L CA 1.362 55.933 54.840 -0.448 0.000 0.753 539 L CB -0.771 40.918 42.059 -0.617 0.000 0.893 539 L HN 0.092 nan 8.230 nan 0.000 0.436 540 L N -0.399 120.696 121.223 -0.214 0.000 2.536 540 L HA 0.454 4.817 4.340 0.040 0.000 0.282 540 L C 0.163 176.965 176.870 -0.114 0.000 1.174 540 L CA 0.691 55.452 54.840 -0.131 0.000 0.989 540 L CB -0.585 41.414 42.059 -0.100 0.000 1.311 540 L HN 0.183 nan 8.230 nan 0.000 0.455 541 S N 0.000 115.640 115.700 -0.100 0.000 2.498 541 S HA 0.000 4.494 4.470 0.040 0.000 0.327 541 S CA 0.000 58.150 58.200 -0.083 0.000 1.107 541 S CB 0.000 63.141 63.200 -0.099 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517