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 1n5m_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL 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 0.000 176.628 176.600 0.047 0.000 1.382 4 E CA 0.000 56.421 56.400 0.035 0.000 0.976 4 E CB 0.000 29.720 29.700 0.033 0.000 0.812 5 D N 5.686 126.123 120.400 0.061 0.000 2.346 5 D HA 0.115 4.781 4.640 0.043 0.000 0.260 5 D C -1.233 175.122 176.300 0.091 0.000 1.252 5 D CA -2.029 52.024 54.000 0.089 0.000 0.895 5 D CB 1.360 42.237 40.800 0.129 0.000 1.097 5 D HN 0.259 nan 8.370 nan 0.000 0.489 6 P HA -0.193 nan 4.420 nan 0.000 0.220 6 P C 0.977 178.308 177.300 0.052 0.000 1.144 6 P CA 0.881 64.010 63.100 0.048 0.000 0.800 6 P CB 0.484 32.198 31.700 0.023 0.000 0.772 7 Q N -0.506 119.327 119.800 0.054 0.000 2.297 7 Q HA 0.047 4.414 4.340 0.043 0.000 0.204 7 Q C 2.065 178.182 176.000 0.195 0.000 0.962 7 Q CA 0.855 56.674 55.803 0.028 0.000 0.879 7 Q CB -0.231 28.397 28.738 -0.183 0.000 0.947 7 Q HN 0.437 nan 8.270 nan 0.000 0.462 8 L N 0.027 121.378 121.223 0.214 0.000 2.628 8 L HA 0.218 4.584 4.340 0.043 0.000 0.229 8 L C 0.371 177.452 176.870 0.353 0.000 1.137 8 L CA -0.066 54.935 54.840 0.269 0.000 0.909 8 L CB 0.275 42.402 42.059 0.112 0.000 1.137 8 L HN -0.022 nan 8.230 nan 0.000 0.470 9 L N 0.910 122.271 121.223 0.231 0.000 2.298 9 L HA 0.508 4.874 4.340 0.043 0.000 0.284 9 L C -0.835 176.065 176.870 0.050 0.000 1.013 9 L CA -0.367 54.567 54.840 0.157 0.000 0.824 9 L CB 2.033 44.146 42.059 0.089 0.000 1.221 9 L HN -0.194 nan 8.230 nan 0.000 0.418 10 V N 3.851 123.755 119.914 -0.016 0.000 2.823 10 V HA 0.521 4.667 4.120 0.043 0.000 0.312 10 V C -0.377 175.626 176.094 -0.153 0.000 1.072 10 V CA -0.823 61.323 62.300 -0.257 0.000 0.937 10 V CB 2.466 33.820 31.823 -0.781 0.000 1.013 10 V HN 0.672 nan 8.190 nan 0.000 0.430 11 R N 2.593 122.979 120.500 -0.190 0.000 2.343 11 R HA 0.777 5.143 4.340 0.043 0.000 0.320 11 R C -0.945 175.263 176.300 -0.154 0.000 0.956 11 R CA -0.325 55.708 56.100 -0.112 0.000 0.836 11 R CB 1.693 31.932 30.300 -0.102 0.000 1.151 11 R HN 0.713 nan 8.270 nan 0.000 0.450 12 V N 1.464 121.338 119.914 -0.068 0.000 3.166 12 V HA 0.477 4.623 4.120 0.043 0.000 0.317 12 V C 1.175 177.191 176.094 -0.130 0.000 1.136 12 V CA -1.005 61.252 62.300 -0.071 0.000 1.035 12 V CB 1.856 33.779 31.823 0.166 0.000 1.110 12 V HN 0.843 nan 8.190 nan 0.000 0.450 13 R N 1.026 121.435 120.500 -0.152 0.000 2.170 13 R HA -0.086 4.280 4.340 0.043 0.000 0.242 13 R C 2.003 178.150 176.300 -0.254 0.000 1.145 13 R CA 1.734 57.733 56.100 -0.167 0.000 0.984 13 R CB -0.666 29.555 30.300 -0.131 0.000 0.869 13 R HN 0.985 nan 8.270 nan 0.000 0.455 14 G N -0.377 108.210 108.800 -0.354 0.000 2.623 14 G HA2 0.251 4.237 3.960 0.043 0.000 0.214 14 G HA3 0.251 4.237 3.960 0.043 0.000 0.214 14 G C 0.506 174.400 174.900 -1.676 0.000 1.138 14 G CA 0.574 45.146 45.100 -0.879 0.000 0.794 14 G HN 0.582 nan 8.290 nan 0.000 0.535 15 G N -1.240 106.861 108.800 -1.165 0.000 2.339 15 G HA2 0.211 4.197 3.960 0.043 0.000 0.275 15 G HA3 0.211 4.197 3.960 0.043 0.000 0.275 15 G C -1.344 173.484 174.900 -0.121 0.000 1.323 15 G CA -0.912 43.665 45.100 -0.872 0.000 0.927 15 G HN 0.286 nan 8.290 nan 0.000 0.486 16 Q N -0.503 119.415 119.800 0.198 0.000 2.230 16 Q HA 0.742 5.108 4.340 0.043 0.000 0.248 16 Q C -0.511 175.777 176.000 0.480 0.000 0.915 16 Q CA -0.329 55.648 55.803 0.291 0.000 0.900 16 Q CB 1.893 30.734 28.738 0.171 0.000 1.229 16 Q HN 0.458 nan 8.270 nan 0.000 0.439 17 L N 0.986 122.402 121.223 0.321 0.000 2.371 17 L HA 0.639 5.005 4.340 0.043 0.000 0.262 17 L C -0.569 176.466 176.870 0.274 0.000 1.006 17 L CA -0.866 54.160 54.840 0.309 0.000 0.818 17 L CB 2.188 44.467 42.059 0.366 0.000 1.354 17 L HN 0.436 nan 8.230 nan 0.000 0.415 18 R N 0.506 121.154 120.500 0.248 0.000 2.439 18 R HA 0.641 5.007 4.340 0.043 0.000 0.310 18 R C -0.447 175.959 176.300 0.176 0.000 0.955 18 R CA -0.314 55.910 56.100 0.207 0.000 0.853 18 R CB 1.829 32.188 30.300 0.099 0.000 1.171 18 R HN 0.849 nan 8.270 nan 0.000 0.449 19 G N 3.325 112.193 108.800 0.113 0.000 2.606 19 G HA2 0.490 4.476 3.960 0.043 0.000 0.262 19 G HA3 0.490 4.476 3.960 0.043 0.000 0.262 19 G C -0.879 173.823 174.900 -0.330 0.000 1.394 19 G CA -0.652 44.197 45.100 -0.419 0.000 1.044 19 G HN 0.583 nan 8.290 nan 0.000 0.553 20 I N -1.160 119.149 120.570 -0.435 0.000 2.686 20 I HA 0.525 4.721 4.170 0.043 0.000 0.295 20 I C -0.501 175.470 176.117 -0.243 0.000 1.114 20 I CA -1.067 60.075 61.300 -0.263 0.000 1.038 20 I CB 2.236 40.097 38.000 -0.232 0.000 1.238 20 I HN 0.368 nan 8.210 nan 0.000 0.420 21 R N 6.964 127.361 120.500 -0.172 0.000 2.234 21 R HA 0.546 4.912 4.340 0.043 0.000 0.324 21 R C -1.362 174.836 176.300 -0.171 0.000 1.054 21 R CA -0.361 55.626 56.100 -0.188 0.000 0.912 21 R CB 0.686 30.811 30.300 -0.290 0.000 1.030 21 R HN 0.584 nan 8.270 nan 0.000 0.455 22 L N 3.288 124.431 121.223 -0.132 0.000 2.330 22 L HA 0.456 4.823 4.340 0.043 0.000 0.271 22 L C 0.027 176.835 176.870 -0.102 0.000 1.013 22 L CA -0.834 53.947 54.840 -0.099 0.000 0.816 22 L CB 1.829 43.862 42.059 -0.043 0.000 1.287 22 L HN 0.427 nan 8.230 nan 0.000 0.435 23 K N 1.918 122.261 120.400 -0.095 0.000 2.227 23 K HA 0.671 5.017 4.320 0.043 0.000 0.280 23 K C -0.924 175.619 176.600 -0.095 0.000 1.041 23 K CA -0.321 55.914 56.287 -0.086 0.000 0.905 23 K CB 1.366 33.825 32.500 -0.068 0.000 1.068 23 K HN 0.711 nan 8.250 nan 0.000 0.470 24 A N 5.490 128.259 122.820 -0.085 0.000 2.355 24 A HA 0.454 4.800 4.320 0.043 0.000 0.324 24 A C -2.095 175.490 177.584 0.002 0.000 1.117 24 A CA -1.892 50.081 52.037 -0.105 0.000 0.785 24 A CB 1.148 20.072 19.000 -0.128 0.000 1.254 24 A HN 0.646 nan 8.150 nan 0.000 0.453 25 P HA -0.221 nan 4.420 nan 0.000 0.220 25 P C 1.278 178.612 177.300 0.058 0.000 1.155 25 P CA 2.493 65.649 63.100 0.094 0.000 0.880 25 P CB 0.283 32.077 31.700 0.157 0.000 0.790 26 G N -2.783 106.053 108.800 0.059 0.000 3.233 26 G HA2 0.479 4.465 3.960 0.043 0.000 0.234 26 G HA3 0.479 4.465 3.960 0.043 0.000 0.234 26 G C 0.424 175.343 174.900 0.033 0.000 1.137 26 G CA 0.418 45.544 45.100 0.043 0.000 0.763 26 G HN 0.621 nan 8.290 nan 0.000 0.549 27 G N -0.346 108.466 108.800 0.021 0.000 2.337 27 G HA2 0.393 4.379 3.960 0.043 0.000 0.298 27 G HA3 0.393 4.379 3.960 0.043 0.000 0.298 27 G C -3.441 171.454 174.900 -0.008 0.000 1.335 27 G CA -0.696 44.413 45.100 0.014 0.000 0.875 27 G HN 0.042 nan 8.290 nan 0.000 0.579 28 P HA 0.587 nan 4.420 nan 0.000 0.279 28 P C -0.228 177.096 177.300 0.041 0.000 1.252 28 P CA -0.341 62.709 63.100 -0.083 0.000 0.811 28 P CB 1.880 33.404 31.700 -0.294 0.000 1.035 29 V N -1.986 117.953 119.914 0.041 0.000 3.078 29 V HA 0.644 4.790 4.120 0.043 0.000 0.311 29 V C -0.462 175.734 176.094 0.170 0.000 1.138 29 V CA -0.903 61.496 62.300 0.165 0.000 1.007 29 V CB 1.724 33.636 31.823 0.149 0.000 1.045 29 V HN 0.461 nan 8.190 nan 0.000 0.432 30 S N 1.778 117.628 115.700 0.250 0.000 2.480 30 S HA 0.870 5.366 4.470 0.043 0.000 0.286 30 S C 0.018 174.584 174.600 -0.057 0.000 1.180 30 S CA -0.007 58.258 58.200 0.110 0.000 1.075 30 S CB 1.296 64.656 63.200 0.267 0.000 0.996 30 S HN 1.586 nan 8.310 nan 0.000 0.487 31 A N 2.706 125.278 122.820 -0.413 0.000 2.343 31 A HA 0.807 5.153 4.320 0.043 0.000 0.316 31 A C -1.214 175.871 177.584 -0.832 0.000 1.104 31 A CA -0.645 51.051 52.037 -0.568 0.000 0.768 31 A CB 0.423 19.085 19.000 -0.564 0.000 1.213 31 A HN 0.684 nan 8.150 nan 0.000 0.456 32 F N 2.953 122.738 119.950 -0.276 0.000 2.434 32 F HA 0.467 5.020 4.527 0.043 0.000 0.367 32 F C -0.215 175.399 175.800 -0.310 0.000 1.093 32 F CA -0.346 57.567 58.000 -0.144 0.000 1.085 32 F CB 1.193 40.273 39.000 0.134 0.000 1.322 32 F HN 0.352 nan 8.300 nan 0.000 0.452 33 L N 1.914 122.961 121.223 -0.293 0.000 2.334 33 L HA 0.757 5.123 4.340 0.043 0.000 0.275 33 L C 0.990 177.742 176.870 -0.197 0.000 1.036 33 L CA -1.027 53.583 54.840 -0.382 0.000 0.807 33 L CB 1.606 43.212 42.059 -0.755 0.000 1.231 33 L HN 0.808 nan 8.230 nan 0.000 0.438 34 G N 2.618 111.363 108.800 -0.092 0.000 2.198 34 G HA2 -0.246 3.740 3.960 0.043 0.000 0.257 34 G HA3 -0.246 3.740 3.960 0.043 0.000 0.257 34 G C -0.079 174.838 174.900 0.029 0.000 1.042 34 G CA -0.356 44.694 45.100 -0.084 0.000 0.791 34 G HN 0.479 nan 8.290 nan 0.000 0.502 35 I N 2.295 122.910 120.570 0.074 0.000 2.452 35 I HA 0.222 4.418 4.170 0.043 0.000 0.287 35 I C -1.365 174.826 176.117 0.123 0.000 1.079 35 I CA -2.016 59.317 61.300 0.054 0.000 1.387 35 I CB 0.989 38.968 38.000 -0.034 0.000 1.404 35 I HN -0.010 nan 8.210 nan 0.000 0.522 36 P HA 0.049 nan 4.420 nan 0.000 0.276 36 P C -0.272 176.965 177.300 -0.105 0.000 1.235 36 P CA -0.017 62.969 63.100 -0.191 0.000 0.772 36 P CB 0.620 32.219 31.700 -0.168 0.000 0.871 37 F N 1.156 120.942 119.950 -0.275 0.000 2.706 37 F HA 0.729 5.282 4.527 0.043 0.000 0.313 37 F C 0.064 175.851 175.800 -0.023 0.000 1.096 37 F CA -0.739 57.168 58.000 -0.156 0.000 1.219 37 F CB 0.227 39.045 39.000 -0.303 0.000 1.051 37 F HN 0.344 nan 8.300 nan 0.000 0.568 38 A N 0.022 122.558 122.820 -0.473 0.000 2.594 38 A HA 0.582 4.928 4.320 0.043 0.000 0.291 38 A C -0.925 176.496 177.584 -0.273 0.000 1.105 38 A CA -0.803 51.053 52.037 -0.301 0.000 0.694 38 A CB 0.985 19.723 19.000 -0.436 0.000 1.291 38 A HN 0.052 nan 8.150 nan 0.000 0.410 39 E N 1.128 121.247 120.200 -0.135 0.000 2.384 39 E HA 0.254 4.630 4.350 0.043 0.000 0.266 39 E C -2.320 174.181 176.600 -0.164 0.000 1.012 39 E CA -1.334 55.003 56.400 -0.105 0.000 0.901 39 E CB 0.061 29.736 29.700 -0.042 0.000 0.967 39 E HN 0.237 nan 8.360 nan 0.000 0.435 40 P HA -0.013 nan 4.420 nan 0.000 0.261 40 P C -2.202 175.029 177.300 -0.116 0.000 1.183 40 P CA -0.627 62.383 63.100 -0.151 0.000 0.761 40 P CB 0.002 31.651 31.700 -0.085 0.000 0.785 41 P HA 0.021 nan 4.420 nan 0.000 0.218 41 P C -0.333 176.906 177.300 -0.101 0.000 1.793 41 P CA 0.043 63.084 63.100 -0.098 0.000 0.941 41 P CB -0.073 31.571 31.700 -0.093 0.000 1.919 42 V N -2.403 117.457 119.914 -0.089 0.000 2.975 42 V HA 0.886 5.032 4.120 0.043 0.000 0.318 42 V C 1.018 177.066 176.094 -0.076 0.000 1.077 42 V CA 0.197 62.443 62.300 -0.090 0.000 1.000 42 V CB 0.747 32.525 31.823 -0.075 0.000 1.066 42 V HN 0.546 nan 8.190 nan 0.000 0.452 43 G N 2.462 111.216 108.800 -0.077 0.000 2.596 43 G HA2 -0.367 3.619 3.960 0.043 0.000 0.304 43 G HA3 -0.367 3.619 3.960 0.043 0.000 0.304 43 G C 1.284 176.151 174.900 -0.055 0.000 1.189 43 G CA 1.756 46.822 45.100 -0.056 0.000 0.986 43 G HN 2.406 nan 8.290 nan 0.000 0.548 44 S N 0.456 116.137 115.700 -0.030 0.000 2.547 44 S HA 0.085 4.581 4.470 0.043 0.000 0.235 44 S C 1.978 176.566 174.600 -0.020 0.000 0.980 44 S CA 1.569 59.761 58.200 -0.013 0.000 0.941 44 S CB -0.022 63.179 63.200 0.001 0.000 0.763 44 S HN 0.668 nan 8.310 nan 0.000 0.532 45 R N 0.606 121.078 120.500 -0.046 0.000 2.300 45 R HA 0.278 4.644 4.340 0.043 0.000 0.199 45 R C 0.910 177.155 176.300 -0.092 0.000 0.920 45 R CA -0.254 55.818 56.100 -0.047 0.000 1.046 45 R CB 0.058 30.331 30.300 -0.046 0.000 0.984 45 R HN 0.375 nan 8.270 nan 0.000 0.493 46 R N 0.766 121.157 120.500 -0.183 0.000 2.538 46 R HA -0.145 4.221 4.340 0.043 0.000 0.282 46 R C -0.446 175.591 176.300 -0.438 0.000 1.009 46 R CA 0.667 56.507 56.100 -0.433 0.000 1.063 46 R CB 0.113 30.021 30.300 -0.653 0.000 0.945 46 R HN 0.126 nan 8.270 nan 0.000 0.414 47 F N -0.579 119.372 119.950 0.003 0.000 2.619 47 F HA -0.283 4.270 4.527 0.043 0.000 0.425 47 F C -0.005 175.778 175.800 -0.028 0.000 0.575 47 F CA 0.491 58.469 58.000 -0.036 0.000 1.289 47 F CB -1.444 37.525 39.000 -0.052 0.000 1.859 47 F HN 0.444 nan 8.300 nan 0.000 0.280 48 M N 0.930 120.587 119.600 0.094 0.000 2.359 48 M HA 0.419 4.925 4.480 0.043 0.000 0.322 48 M C -1.889 174.436 176.300 0.040 0.000 1.166 48 M CA -1.924 53.416 55.300 0.067 0.000 1.067 48 M CB 0.306 32.932 32.600 0.043 0.000 1.523 48 M HN -0.347 nan 8.290 nan 0.000 0.467 49 P HA 0.111 nan 4.420 nan 0.000 0.267 49 P C -2.361 174.965 177.300 0.043 0.000 1.200 49 P CA -0.455 62.675 63.100 0.051 0.000 0.772 49 P CB -0.379 31.361 31.700 0.066 0.000 0.855 50 P HA 0.174 nan 4.420 nan 0.000 0.275 50 P C -0.757 176.576 177.300 0.054 0.000 1.228 50 P CA 0.018 63.142 63.100 0.039 0.000 0.786 50 P CB 1.033 32.775 31.700 0.070 0.000 0.927 51 E N 2.710 122.927 120.200 0.029 0.000 2.207 51 E HA 0.379 4.755 4.350 0.043 0.000 0.270 51 E C -2.172 174.462 176.600 0.057 0.000 0.927 51 E CA -2.463 53.965 56.400 0.046 0.000 0.799 51 E CB 1.008 30.726 29.700 0.030 0.000 1.172 51 E HN 0.409 nan 8.360 nan 0.000 0.404 52 P HA -0.063 nan 4.420 nan 0.000 0.266 52 P C -0.639 176.727 177.300 0.110 0.000 1.195 52 P CA -0.161 63.017 63.100 0.132 0.000 0.768 52 P CB 0.576 32.361 31.700 0.141 0.000 0.838 53 K N 3.625 124.112 120.400 0.145 0.000 2.412 53 K HA 0.043 4.389 4.320 0.043 0.000 0.281 53 K C 0.297 177.009 176.600 0.187 0.000 1.027 53 K CA 0.136 56.513 56.287 0.150 0.000 0.989 53 K CB 0.150 32.778 32.500 0.212 0.000 0.935 53 K HN 0.272 nan 8.250 nan 0.000 0.475 54 R N 4.792 125.386 120.500 0.156 0.000 2.643 54 R HA 0.150 4.516 4.340 0.043 0.000 0.270 54 R C -2.017 174.403 176.300 0.201 0.000 1.061 54 R CA -1.563 54.619 56.100 0.138 0.000 1.107 54 R CB 0.114 30.478 30.300 0.106 0.000 0.999 54 R HN 0.580 nan 8.270 nan 0.000 0.460 55 P HA -0.060 nan 4.420 nan 0.000 0.268 55 P C -1.239 176.121 177.300 0.100 0.000 1.208 55 P CA 0.097 63.153 63.100 -0.073 0.000 0.777 55 P CB 0.352 31.964 31.700 -0.146 0.000 0.875 56 W N 0.531 121.866 121.300 0.059 0.000 2.820 56 W HA 0.704 5.390 4.660 0.043 0.000 0.350 56 W C -0.717 175.828 176.519 0.044 0.000 1.116 56 W CA -0.976 56.401 57.345 0.052 0.000 1.146 56 W CB 0.134 29.633 29.460 0.065 0.000 1.433 56 W HN 0.365 nan 8.180 nan 0.000 0.561 57 S N 1.357 117.236 115.700 0.298 0.000 2.654 57 S HA 0.838 5.334 4.470 0.043 0.000 0.283 57 S C 0.530 175.285 174.600 0.258 0.000 1.180 57 S CA 0.060 58.365 58.200 0.174 0.000 1.021 57 S CB 0.905 64.174 63.200 0.116 0.000 1.018 57 S HN 2.189 nan 8.310 nan 0.000 0.532 58 G N 0.094 108.994 108.800 0.167 0.000 2.601 58 G HA2 -0.163 3.824 3.960 0.043 0.000 0.252 58 G HA3 -0.163 3.824 3.960 0.043 0.000 0.252 58 G C -0.669 174.374 174.900 0.238 0.000 1.294 58 G CA -0.257 44.942 45.100 0.164 0.000 0.912 58 G HN 1.683 nan 8.290 nan 0.000 0.574 59 V N 1.184 121.211 119.914 0.188 0.000 2.347 59 V HA 0.508 4.654 4.120 0.043 0.000 0.280 59 V C 0.945 177.124 176.094 0.142 0.000 1.021 59 V CA -0.570 61.848 62.300 0.197 0.000 0.847 59 V CB 1.347 33.246 31.823 0.127 0.000 0.990 59 V HN 0.706 nan 8.190 nan 0.000 0.444 60 L N 3.810 125.115 121.223 0.137 0.000 2.360 60 L HA 0.281 4.647 4.340 0.043 0.000 0.276 60 L C 0.400 177.246 176.870 -0.040 0.000 1.121 60 L CA -0.104 54.669 54.840 -0.112 0.000 0.845 60 L CB 1.054 42.806 42.059 -0.513 0.000 1.143 60 L HN 0.781 nan 8.230 nan 0.000 0.452 61 D N 4.106 124.466 120.400 -0.068 0.000 2.338 61 D HA 0.254 4.920 4.640 0.043 0.000 0.255 61 D C 0.031 176.287 176.300 -0.073 0.000 1.237 61 D CA -0.037 53.933 54.000 -0.050 0.000 0.883 61 D CB 1.128 41.889 40.800 -0.064 0.000 1.087 61 D HN 0.527 nan 8.370 nan 0.000 0.485 62 A N 3.383 126.186 122.820 -0.028 0.000 3.154 62 A HA 0.280 4.626 4.320 0.043 0.000 0.310 62 A C 0.939 178.445 177.584 -0.130 0.000 1.093 62 A CA -0.275 51.737 52.037 -0.041 0.000 1.006 62 A CB -0.208 18.868 19.000 0.127 0.000 1.084 62 A HN 0.605 nan 8.150 nan 0.000 0.549 63 T N -3.175 111.280 114.554 -0.166 0.000 3.044 63 T HA 0.278 4.654 4.350 0.043 0.000 0.260 63 T C 0.644 175.185 174.700 -0.265 0.000 1.019 63 T CA 0.753 62.723 62.100 -0.217 0.000 0.921 63 T CB -0.201 68.573 68.868 -0.156 0.000 1.053 63 T HN 0.729 nan 8.240 nan 0.000 0.533 64 T N -0.633 113.763 114.554 -0.265 0.000 2.883 64 T HA 0.695 5.071 4.350 0.043 0.000 0.301 64 T C -0.882 173.653 174.700 -0.274 0.000 1.158 64 T CA -0.880 61.058 62.100 -0.270 0.000 1.007 64 T CB 1.044 69.823 68.868 -0.149 0.000 1.186 64 T HN -0.012 nan 8.240 nan 0.000 0.499 65 F N 2.135 122.010 119.950 -0.126 0.000 2.518 65 F HA 0.328 4.881 4.527 0.044 0.000 0.359 65 F C 1.493 177.191 175.800 -0.170 0.000 1.118 65 F CA -0.138 57.790 58.000 -0.121 0.000 1.287 65 F CB 0.528 39.486 39.000 -0.069 0.000 1.132 65 F HN 0.492 nan 8.300 nan 0.000 0.587 66 Q N 1.573 121.371 119.800 -0.004 0.000 2.272 66 Q HA 0.188 4.554 4.340 0.043 0.000 0.192 66 Q C -0.067 175.869 176.000 -0.106 0.000 1.059 66 Q CA -0.563 55.093 55.803 -0.245 0.000 1.084 66 Q CB 0.474 28.775 28.738 -0.727 0.000 1.139 66 Q HN 0.526 nan 8.270 nan 0.000 0.593 67 N N -0.393 118.225 118.700 -0.136 0.000 2.415 67 N HA 0.056 4.822 4.740 0.043 0.000 0.248 67 N C -0.575 174.930 175.510 -0.008 0.000 1.271 67 N CA 0.016 53.034 53.050 -0.053 0.000 0.913 67 N CB 0.448 38.913 38.487 -0.037 0.000 1.129 67 N HN 0.163 nan 8.380 nan 0.000 0.444 68 V N 1.423 121.308 119.914 -0.048 0.000 2.546 68 V HA 0.076 4.222 4.120 0.043 0.000 0.284 68 V C 0.535 176.593 176.094 -0.061 0.000 1.050 68 V CA -0.796 61.462 62.300 -0.070 0.000 0.981 68 V CB 0.904 32.649 31.823 -0.130 0.000 0.990 68 V HN 0.706 nan 8.190 nan 0.000 0.474 69 c N 4.817 123.394 118.600 -0.038 0.000 2.611 69 c HA 0.058 4.654 4.570 0.043 0.000 0.416 69 c C 0.547 174.584 174.090 -0.087 0.000 1.366 69 c CA -0.565 55.742 56.329 -0.037 0.000 1.761 69 c CB -1.160 41.354 42.510 0.007 0.000 2.619 69 c HN 0.743 nan 8.230 nan 0.000 0.606 70 Y N 4.188 124.336 120.300 -0.255 0.000 2.805 70 Y HA 0.182 4.758 4.550 0.044 0.000 0.331 70 Y C 0.779 176.640 175.900 -0.064 0.000 1.241 70 Y CA 1.200 59.125 58.100 -0.291 0.000 1.546 70 Y CB 0.119 38.160 38.460 -0.699 0.000 1.248 70 Y HN 0.762 nan 8.280 nan 0.000 0.559 71 Q N 4.334 123.969 119.800 -0.275 0.000 2.578 71 Q HA 0.209 4.575 4.340 0.043 0.000 0.284 71 Q C -1.781 174.301 176.000 0.136 0.000 0.960 71 Q CA -1.222 54.650 55.803 0.116 0.000 0.809 71 Q CB 1.093 29.904 28.738 0.121 0.000 1.462 71 Q HN 0.642 nan 8.270 nan 0.000 0.392 72 Y N 1.232 121.690 120.300 0.265 0.000 2.702 72 Y HA 0.320 4.896 4.550 0.043 0.000 0.336 72 Y C -0.992 175.050 175.900 0.237 0.000 1.235 72 Y CA 0.438 58.718 58.100 0.299 0.000 1.492 72 Y CB 0.828 39.585 38.460 0.494 0.000 1.308 72 Y HN 0.456 nan 8.280 nan 0.000 0.589 73 V N 6.453 126.137 119.914 -0.383 0.000 2.513 73 V HA 0.137 4.283 4.120 0.043 0.000 0.299 73 V C -0.552 175.263 176.094 -0.465 0.000 1.035 73 V CA -1.043 61.101 62.300 -0.261 0.000 0.889 73 V CB 1.682 33.384 31.823 -0.202 0.000 0.988 73 V HN 0.807 nan 8.190 nan 0.000 0.440 74 D N 2.328 122.711 120.400 -0.029 0.000 2.389 74 D HA 0.367 5.033 4.640 0.043 0.000 0.247 74 D C 0.788 177.105 176.300 0.028 0.000 1.128 74 D CA 0.375 54.448 54.000 0.121 0.000 0.884 74 D CB 1.198 42.225 40.800 0.378 0.000 1.194 74 D HN 0.775 nan 8.370 nan 0.000 0.441 75 T N 0.983 115.547 114.554 0.017 0.000 3.144 75 T HA 0.026 4.402 4.350 0.043 0.000 0.290 75 T C 1.374 176.042 174.700 -0.054 0.000 0.966 75 T CA -0.458 61.630 62.100 -0.020 0.000 0.907 75 T CB -0.069 68.759 68.868 -0.065 0.000 1.152 75 T HN 0.255 nan 8.240 nan 0.000 0.532 76 L N 0.994 122.176 121.223 -0.069 0.000 2.012 76 L HA 0.135 4.501 4.340 0.043 0.000 0.210 76 L C -0.221 176.294 176.870 -0.591 0.000 1.073 76 L CA 1.711 56.331 54.840 -0.366 0.000 0.748 76 L CB -0.472 41.301 42.059 -0.476 0.000 0.891 76 L HN 0.445 nan 8.230 nan 0.000 0.431 77 Y N -0.554 119.767 120.300 0.034 0.000 2.662 77 Y HA 0.410 4.986 4.550 0.044 0.000 0.358 77 Y C -2.209 173.734 175.900 0.072 0.000 1.041 77 Y CA -3.207 54.903 58.100 0.017 0.000 1.184 77 Y CB -0.022 38.437 38.460 -0.001 0.000 1.114 77 Y HN 0.050 nan 8.280 nan 0.000 0.650 78 P HA 0.054 nan 4.420 nan 0.000 0.256 78 P C 1.001 178.357 177.300 0.094 0.000 1.173 78 P CA 1.750 64.897 63.100 0.080 0.000 0.768 78 P CB 0.436 32.152 31.700 0.027 0.000 0.758 79 G N 2.772 111.620 108.800 0.080 0.000 2.179 79 G HA2 -0.290 3.696 3.960 0.043 0.000 0.260 79 G HA3 -0.290 3.696 3.960 0.043 0.000 0.260 79 G C -0.032 174.917 174.900 0.082 0.000 0.977 79 G CA -0.486 44.645 45.100 0.052 0.000 0.641 79 G HN 0.532 nan 8.290 nan 0.000 0.533 80 F N 2.346 122.263 119.950 -0.054 0.000 2.445 80 F HA 0.598 5.151 4.527 0.043 0.000 0.359 80 F C 1.342 177.046 175.800 -0.160 0.000 1.101 80 F CA -0.833 57.084 58.000 -0.140 0.000 1.177 80 F CB 0.880 39.773 39.000 -0.179 0.000 1.110 80 F HN 0.162 nan 8.300 nan 0.000 0.522 81 E N 3.386 123.200 120.200 -0.644 0.000 2.130 81 E HA -0.119 4.257 4.350 0.043 0.000 0.196 81 E C 2.337 178.420 176.600 -0.862 0.000 0.998 81 E CA 1.552 57.570 56.400 -0.636 0.000 0.806 81 E CB -0.469 28.928 29.700 -0.505 0.000 0.738 81 E HN 0.904 nan 8.360 nan 0.000 0.459 82 G N 0.371 108.064 108.800 -1.844 0.000 2.469 82 G HA2 -0.323 3.663 3.960 0.043 0.000 0.220 82 G HA3 -0.323 3.663 3.960 0.043 0.000 0.220 82 G C 1.720 176.574 174.900 -0.077 0.000 1.136 82 G CA 1.737 46.024 45.100 -1.355 0.000 0.759 82 G HN 0.469 nan 8.290 nan 0.000 0.562 83 T N -2.500 112.024 114.554 -0.050 0.000 3.015 83 T HA 0.208 4.584 4.350 0.043 0.000 0.250 83 T C 1.837 176.703 174.700 0.276 0.000 1.057 83 T CA 0.521 62.932 62.100 0.518 0.000 1.066 83 T CB 0.277 69.527 68.868 0.637 0.000 0.959 83 T HN 0.092 nan 8.240 nan 0.000 0.488 84 E N 2.256 122.458 120.200 0.004 0.000 2.208 84 E HA -0.017 4.359 4.350 0.043 0.000 0.193 84 E C 2.194 178.691 176.600 -0.171 0.000 0.988 84 E CA 1.005 57.372 56.400 -0.055 0.000 0.828 84 E CB -0.413 29.224 29.700 -0.104 0.000 0.763 84 E HN 0.786 nan 8.360 nan 0.000 0.478 85 M N -2.358 117.033 119.600 -0.349 0.000 2.446 85 M HA -0.069 4.437 4.480 0.043 0.000 0.263 85 M C 1.193 177.071 176.300 -0.704 0.000 1.066 85 M CA 1.376 56.316 55.300 -0.601 0.000 1.087 85 M CB -0.526 31.579 32.600 -0.825 0.000 1.406 85 M HN -0.000 nan 8.290 nan 0.000 0.459 86 W N 0.847 122.089 121.300 -0.096 0.000 3.107 86 W HA 0.297 4.983 4.660 0.043 0.000 0.293 86 W C 0.423 176.884 176.519 -0.098 0.000 1.239 86 W CA -0.943 56.337 57.345 -0.108 0.000 1.653 86 W CB -0.053 29.403 29.460 -0.007 0.000 1.068 86 W HN 0.085 nan 8.180 nan 0.000 0.615 87 N N 1.556 120.304 118.700 0.079 0.000 2.483 87 N HA 0.156 4.922 4.740 0.043 0.000 0.269 87 N C -2.447 173.019 175.510 -0.073 0.000 1.209 87 N CA -1.388 51.678 53.050 0.027 0.000 0.969 87 N CB -0.003 38.497 38.487 0.022 0.000 1.173 87 N HN -0.370 nan 8.380 nan 0.000 0.475 88 P HA -0.001 nan 4.420 nan 0.000 0.261 88 P C 0.203 177.421 177.300 -0.136 0.000 1.173 88 P CA 0.199 63.218 63.100 -0.135 0.000 0.760 88 P CB 0.246 31.864 31.700 -0.136 0.000 0.783 89 N N 2.664 121.267 118.700 -0.163 0.000 2.282 89 N HA 0.104 4.870 4.740 0.043 0.000 0.240 89 N C 0.041 175.479 175.510 -0.121 0.000 1.182 89 N CA -0.121 52.839 53.050 -0.149 0.000 0.874 89 N CB 0.442 38.816 38.487 -0.188 0.000 1.126 89 N HN 0.175 nan 8.380 nan 0.000 0.516 90 R N -0.133 120.299 120.500 -0.113 0.000 2.752 90 R HA 0.283 4.649 4.340 0.043 0.000 0.271 90 R C -0.551 175.698 176.300 -0.085 0.000 1.026 90 R CA -0.576 55.475 56.100 -0.083 0.000 0.901 90 R CB 0.867 31.125 30.300 -0.071 0.000 1.243 90 R HN 0.097 nan 8.270 nan 0.000 0.463 91 E N 1.663 121.822 120.200 -0.068 0.000 2.442 91 E HA 0.066 4.442 4.350 0.043 0.000 0.262 91 E C 0.025 176.582 176.600 -0.071 0.000 1.004 91 E CA 0.187 56.549 56.400 -0.063 0.000 0.928 91 E CB 0.469 30.144 29.700 -0.043 0.000 0.937 91 E HN 0.272 nan 8.360 nan 0.000 0.446 92 L N 1.773 122.943 121.223 -0.087 0.000 2.397 92 L HA 0.246 4.612 4.340 0.043 0.000 0.271 92 L C 0.716 177.606 176.870 0.034 0.000 1.148 92 L CA 0.057 54.826 54.840 -0.118 0.000 0.825 92 L CB 0.860 42.704 42.059 -0.357 0.000 1.117 92 L HN 0.390 nan 8.230 nan 0.000 0.456 93 S N 0.680 116.416 115.700 0.059 0.000 2.558 93 S HA 0.174 4.670 4.470 0.043 0.000 0.277 93 S C 0.053 174.647 174.600 -0.011 0.000 1.143 93 S CA -0.662 57.577 58.200 0.064 0.000 0.865 93 S CB 1.529 64.741 63.200 0.020 0.000 1.102 93 S HN 0.744 nan 8.310 nan 0.000 0.454 94 E N 0.926 121.066 120.200 -0.101 0.000 2.427 94 E HA -0.021 4.355 4.350 0.043 0.000 0.196 94 E C -0.356 176.187 176.600 -0.095 0.000 1.028 94 E CA 0.321 56.609 56.400 -0.186 0.000 0.864 94 E CB 0.166 29.712 29.700 -0.257 0.000 0.813 94 E HN 0.506 nan 8.360 nan 0.000 0.514 95 D N 0.422 120.800 120.400 -0.038 0.000 2.453 95 D HA 0.005 4.671 4.640 0.043 0.000 0.223 95 D C -0.010 176.365 176.300 0.125 0.000 1.183 95 D CA -0.319 53.690 54.000 0.014 0.000 0.933 95 D CB 0.090 40.917 40.800 0.044 0.000 1.038 95 D HN 0.140 nan 8.370 nan 0.000 0.513 96 c N 2.545 121.183 118.600 0.065 0.000 3.865 96 c HA 0.370 4.966 4.570 0.043 0.000 0.297 96 c C 0.589 174.725 174.090 0.077 0.000 1.758 96 c CA -0.662 55.775 56.329 0.180 0.000 1.778 96 c CB -1.251 41.306 42.510 0.079 0.000 3.158 96 c HN 0.441 nan 8.230 nan 0.000 0.598 97 L N 2.608 123.610 121.223 -0.368 0.000 2.395 97 L HA 0.398 4.764 4.340 0.043 0.000 0.268 97 L C -0.921 175.284 176.870 -1.109 0.000 1.223 97 L CA 0.569 54.978 54.840 -0.718 0.000 1.093 97 L CB -0.650 40.857 42.059 -0.919 0.000 1.349 97 L HN 0.402 nan 8.230 nan 0.000 0.427 98 Y N 1.923 122.202 120.300 -0.036 0.000 2.576 98 Y HA 0.642 5.218 4.550 0.043 0.000 0.346 98 Y C -0.100 175.994 175.900 0.323 0.000 1.018 98 Y CA -1.235 56.928 58.100 0.105 0.000 1.050 98 Y CB 1.999 40.467 38.460 0.014 0.000 1.280 98 Y HN 0.204 nan 8.280 nan 0.000 0.474 99 L N -0.197 121.207 121.223 0.302 0.000 2.309 99 L HA 0.788 5.155 4.340 0.043 0.000 0.261 99 L C -1.296 175.583 176.870 0.015 0.000 1.021 99 L CA -1.111 53.789 54.840 0.099 0.000 0.823 99 L CB 1.808 43.745 42.059 -0.202 0.000 1.366 99 L HN 0.478 nan 8.230 nan 0.000 0.423 100 N N 0.176 118.890 118.700 0.024 0.000 2.238 100 N HA 0.718 5.484 4.740 0.043 0.000 0.302 100 N C -1.543 173.901 175.510 -0.110 0.000 1.072 100 N CA -0.430 52.550 53.050 -0.116 0.000 0.792 100 N CB 2.894 41.307 38.487 -0.123 0.000 1.425 100 N HN 0.503 nan 8.380 nan 0.000 0.478 101 V N 1.548 121.328 119.914 -0.223 0.000 2.525 101 V HA 0.456 4.602 4.120 0.043 0.000 0.299 101 V C -0.796 175.304 176.094 0.009 0.000 1.034 101 V CA -0.776 61.493 62.300 -0.051 0.000 0.863 101 V CB 2.110 33.761 31.823 -0.286 0.000 0.999 101 V HN 0.551 nan 8.190 nan 0.000 0.423 102 W N 2.185 123.585 121.300 0.166 0.000 2.606 102 W HA 0.697 5.383 4.660 0.044 0.000 0.332 102 W C 0.039 176.671 176.519 0.189 0.000 1.052 102 W CA -0.402 57.041 57.345 0.163 0.000 1.223 102 W CB 2.389 31.922 29.460 0.120 0.000 1.383 102 W HN 0.490 nan 8.180 nan 0.000 0.524 103 T N 3.523 118.345 114.554 0.446 0.000 2.883 103 T HA 0.456 4.832 4.350 0.043 0.000 0.301 103 T C -2.579 172.297 174.700 0.293 0.000 1.158 103 T CA -1.682 60.630 62.100 0.353 0.000 1.007 103 T CB 2.066 71.186 68.868 0.419 0.000 1.186 103 T HN 0.016 nan 8.240 nan 0.000 0.499 104 P HA 0.209 nan 4.420 nan 0.000 0.272 104 P C -1.652 175.777 177.300 0.214 0.000 1.230 104 P CA -0.191 63.024 63.100 0.191 0.000 0.788 104 P CB 0.396 32.177 31.700 0.135 0.000 0.949 105 Y N 2.894 123.250 120.300 0.093 0.000 2.328 105 Y HA 0.384 4.960 4.550 0.043 0.000 0.333 105 Y C -2.027 173.909 175.900 0.060 0.000 0.958 105 Y CA -2.415 55.732 58.100 0.080 0.000 1.167 105 Y CB 1.349 39.842 38.460 0.055 0.000 1.151 105 Y HN 0.295 nan 8.280 nan 0.000 0.470 106 P HA 0.178 nan 4.420 nan 0.000 0.272 106 P C -0.860 176.358 177.300 -0.138 0.000 1.240 106 P CA -0.354 62.477 63.100 -0.449 0.000 0.791 106 P CB 1.099 32.616 31.700 -0.304 0.000 0.978 107 R N 1.115 121.554 120.500 -0.101 0.000 2.640 107 R HA 0.115 4.481 4.340 0.043 0.000 0.270 107 R C -1.843 174.472 176.300 0.025 0.000 1.024 107 R CA -1.022 55.097 56.100 0.032 0.000 1.085 107 R CB -1.087 29.248 30.300 0.059 0.000 0.963 107 R HN 0.424 nan 8.270 nan 0.000 0.426 108 P HA -0.148 nan 4.420 nan 0.000 0.263 108 P C -0.023 177.292 177.300 0.025 0.000 1.168 108 P CA 0.524 63.653 63.100 0.048 0.000 0.759 108 P CB 0.599 32.340 31.700 0.068 0.000 0.782 109 A N 3.017 125.846 122.820 0.016 0.000 1.897 109 A HA -0.007 4.339 4.320 0.043 0.000 0.215 109 A C 0.940 178.528 177.584 0.006 0.000 1.181 109 A CA 1.604 53.644 52.037 0.005 0.000 0.620 109 A CB -0.671 18.331 19.000 0.004 0.000 0.821 109 A HN 0.619 nan 8.150 nan 0.000 0.443 110 S N -0.980 114.727 115.700 0.012 0.000 2.607 110 S HA 0.608 5.104 4.470 0.043 0.000 0.303 110 S C -3.123 171.487 174.600 0.017 0.000 1.086 110 S CA -1.916 56.290 58.200 0.009 0.000 0.995 110 S CB 1.086 64.288 63.200 0.004 0.000 1.084 110 S HN 0.016 nan 8.310 nan 0.000 0.507 111 P HA 0.109 nan 4.420 nan 0.000 0.256 111 P C -0.610 176.703 177.300 0.022 0.000 1.173 111 P CA 0.507 63.619 63.100 0.020 0.000 0.768 111 P CB -0.182 31.521 31.700 0.006 0.000 0.758 112 T N 6.360 120.939 114.554 0.042 0.000 2.867 112 T HA 0.391 4.767 4.350 0.043 0.000 0.282 112 T C -2.308 172.418 174.700 0.044 0.000 1.000 112 T CA -1.884 60.242 62.100 0.043 0.000 1.042 112 T CB 0.732 69.638 68.868 0.064 0.000 0.973 112 T HN 0.233 nan 8.240 nan 0.000 0.465 113 P HA 0.115 nan 4.420 nan 0.000 0.266 113 P C -0.786 176.548 177.300 0.058 0.000 1.195 113 P CA -0.198 62.916 63.100 0.024 0.000 0.768 113 P CB 0.442 32.137 31.700 -0.008 0.000 0.838 114 V N 4.742 124.706 119.914 0.083 0.000 2.427 114 V HA 0.297 4.443 4.120 0.043 0.000 0.286 114 V C 0.625 176.796 176.094 0.127 0.000 1.034 114 V CA -0.619 61.754 62.300 0.120 0.000 0.893 114 V CB 1.189 33.099 31.823 0.144 0.000 0.982 114 V HN 0.386 nan 8.190 nan 0.000 0.452 115 L N 5.832 127.141 121.223 0.143 0.000 2.296 115 L HA 0.594 4.960 4.340 0.043 0.000 0.286 115 L C -0.591 176.504 176.870 0.376 0.000 1.023 115 L CA -0.292 54.644 54.840 0.161 0.000 0.812 115 L CB 1.593 43.629 42.059 -0.039 0.000 1.223 115 L HN 0.503 nan 8.230 nan 0.000 0.421 116 I N 3.119 123.956 120.570 0.445 0.000 2.382 116 I HA 0.200 4.396 4.170 0.043 0.000 0.285 116 I C -0.639 175.784 176.117 0.511 0.000 1.007 116 I CA -0.428 61.118 61.300 0.410 0.000 1.142 116 I CB 1.393 39.503 38.000 0.184 0.000 1.289 116 I HN 0.638 nan 8.210 nan 0.000 0.453 117 W N 8.608 130.031 121.300 0.205 0.000 2.316 117 W HA 0.549 5.235 4.660 0.043 0.000 0.311 117 W C -1.494 174.918 176.519 -0.177 0.000 1.217 117 W CA -0.542 56.660 57.345 -0.238 0.000 1.199 117 W CB 1.144 30.456 29.460 -0.247 0.000 1.202 117 W HN 0.353 nan 8.180 nan 0.000 0.528 118 I N 9.149 129.077 120.570 -1.070 0.000 2.411 118 I HA 0.072 4.268 4.170 0.043 0.000 0.284 118 I C -0.228 175.065 176.117 -1.373 0.000 1.012 118 I CA -1.106 59.635 61.300 -0.932 0.000 1.119 118 I CB 0.721 38.344 38.000 -0.628 0.000 1.261 118 I HN 0.304 nan 8.210 nan 0.000 0.448 119 Y N 4.635 124.419 120.300 -0.860 0.000 2.426 119 Y HA 0.671 5.247 4.550 0.043 0.000 0.344 119 Y C 0.781 176.478 175.900 -0.338 0.000 1.256 119 Y CA -0.772 56.941 58.100 -0.645 0.000 1.451 119 Y CB -0.069 38.260 38.460 -0.219 0.000 1.342 119 Y HN 0.511 nan 8.280 nan 0.000 0.600 120 G N -1.000 107.799 108.800 -0.001 0.000 2.583 120 G HA2 0.488 4.474 3.960 0.043 0.000 0.280 120 G HA3 0.488 4.474 3.960 0.043 0.000 0.280 120 G C 0.268 175.112 174.900 -0.093 0.000 1.376 120 G CA -0.930 44.096 45.100 -0.122 0.000 1.043 120 G HN 1.741 nan 8.290 nan 0.000 0.538 121 G N -2.783 105.804 108.800 -0.356 0.000 2.192 121 G HA2 0.396 4.382 3.960 0.043 0.000 0.152 121 G HA3 0.396 4.382 3.960 0.043 0.000 0.152 121 G C 1.064 175.418 174.900 -0.910 0.000 1.057 121 G CA 0.691 45.464 45.100 -0.546 0.000 0.748 121 G HN 2.338 nan 8.290 nan 0.000 0.488 122 G N -0.624 107.620 108.800 -0.927 0.000 2.212 122 G HA2 -0.131 3.855 3.960 0.043 0.000 0.267 122 G HA3 -0.131 3.855 3.960 0.043 0.000 0.267 122 G C 0.937 175.456 174.900 -0.635 0.000 1.002 122 G CA 0.898 45.161 45.100 -1.395 0.000 0.729 122 G HN 1.786 nan 8.290 nan 0.000 0.517 123 F N -3.454 116.314 119.950 -0.303 0.000 2.825 123 F HA -0.312 4.242 4.527 0.043 0.000 0.358 123 F C 1.465 177.323 175.800 0.097 0.000 0.639 123 F CA 2.224 60.193 58.000 -0.052 0.000 1.153 123 F CB -1.995 36.855 39.000 -0.250 0.000 1.610 123 F HN 0.928 nan 8.300 nan 0.000 0.305 124 Y N -0.953 119.403 120.300 0.094 0.000 2.500 124 Y HA 0.668 5.244 4.550 0.043 0.000 0.246 124 Y C 0.574 176.574 175.900 0.166 0.000 1.146 124 Y CA 0.212 58.401 58.100 0.148 0.000 1.230 124 Y CB -0.037 38.433 38.460 0.016 0.000 1.214 124 Y HN 0.088 nan 8.280 nan 0.000 0.526 125 S N -0.949 114.513 115.700 -0.397 0.000 2.672 125 S HA 0.881 5.378 4.470 0.043 0.000 0.271 125 S C -0.178 174.275 174.600 -0.245 0.000 1.171 125 S CA -0.508 57.540 58.200 -0.253 0.000 0.817 125 S CB 1.459 64.461 63.200 -0.329 0.000 1.150 125 S HN 1.361 nan 8.310 nan 0.000 0.478 126 G N -0.709 107.914 108.800 -0.294 0.000 2.459 126 G HA2 0.553 4.539 3.960 0.043 0.000 0.685 126 G HA3 0.553 4.539 3.960 0.043 0.000 0.685 126 G C -0.685 173.584 174.900 -1.052 0.000 1.303 126 G CA -0.228 44.516 45.100 -0.594 0.000 0.907 126 G HN 2.241 nan 8.290 nan 0.000 0.632 127 A N -1.051 120.998 122.820 -1.284 0.000 2.594 127 A HA 0.995 5.341 4.320 0.043 0.000 0.296 127 A C 0.601 177.983 177.584 -0.337 0.000 1.056 127 A CA 0.666 52.203 52.037 -0.833 0.000 0.693 127 A CB 0.862 19.636 19.000 -0.377 0.000 1.278 127 A HN 2.584 nan 8.150 nan 0.000 0.408 128 A N 0.483 123.350 122.820 0.078 0.000 2.167 128 A HA 0.227 4.573 4.320 0.043 0.000 0.214 128 A C 1.790 179.416 177.584 0.071 0.000 1.151 128 A CA 1.884 54.137 52.037 0.361 0.000 0.735 128 A CB -0.562 18.713 19.000 0.458 0.000 0.802 128 A HN 1.877 nan 8.150 nan 0.000 0.467 129 S N -0.441 115.052 115.700 -0.344 0.000 2.593 129 S HA 0.283 4.779 4.470 0.043 0.000 0.217 129 S C 0.549 174.716 174.600 -0.723 0.000 0.966 129 S CA -0.437 57.093 58.200 -1.116 0.000 0.914 129 S CB -0.637 61.851 63.200 -1.187 0.000 0.776 129 S HN 0.390 nan 8.310 nan 0.000 0.523 130 L N 2.285 123.247 121.223 -0.435 0.000 2.483 130 L HA 0.112 4.478 4.340 0.043 0.000 0.276 130 L C 1.159 177.701 176.870 -0.546 0.000 1.213 130 L CA -0.402 54.117 54.840 -0.535 0.000 0.843 130 L CB 0.212 41.816 42.059 -0.757 0.000 1.107 130 L HN 0.121 nan 8.230 nan 0.000 0.487 131 D N 1.160 121.277 120.400 -0.472 0.000 2.144 131 D HA -0.130 4.536 4.640 0.043 0.000 0.199 131 D C 1.981 178.003 176.300 -0.462 0.000 0.984 131 D CA 1.252 55.039 54.000 -0.355 0.000 0.834 131 D CB -0.030 40.607 40.800 -0.271 0.000 0.955 131 D HN 0.536 nan 8.370 nan 0.000 0.465 132 V N -1.200 118.291 119.914 -0.705 0.000 3.241 132 V HA -0.156 3.990 4.120 0.043 0.000 0.269 132 V C 1.085 176.612 176.094 -0.946 0.000 1.151 132 V CA 1.016 62.875 62.300 -0.735 0.000 1.158 132 V CB -1.195 30.155 31.823 -0.788 0.000 0.764 132 V HN 0.056 nan 8.190 nan 0.000 0.508 133 Y N -0.044 119.694 120.300 -0.935 0.000 2.555 133 Y HA 0.446 5.022 4.550 0.043 0.000 0.259 133 Y C 0.870 176.125 175.900 -1.075 0.000 1.179 133 Y CA -1.987 55.133 58.100 -1.632 0.000 1.230 133 Y CB -0.695 37.195 38.460 -0.950 0.000 1.146 133 Y HN 0.231 nan 8.280 nan 0.000 0.526 134 D N 0.966 121.062 120.400 -0.508 0.000 2.451 134 D HA 0.020 4.686 4.640 0.043 0.000 0.254 134 D C 1.345 177.319 176.300 -0.543 0.000 1.204 134 D CA 0.575 54.364 54.000 -0.351 0.000 0.896 134 D CB 1.282 42.014 40.800 -0.113 0.000 1.136 134 D HN 0.469 nan 8.370 nan 0.000 0.499 135 G N 4.126 112.012 108.800 -1.524 0.000 3.088 135 G HA2 -0.128 3.858 3.960 0.043 0.000 0.212 135 G HA3 -0.128 3.858 3.960 0.043 0.000 0.212 135 G C 1.492 175.828 174.900 -0.940 0.000 1.173 135 G CA -0.076 44.306 45.100 -1.197 0.000 0.779 135 G HN 0.594 nan 8.290 nan 0.000 0.540 136 R N -0.450 119.489 120.500 -0.936 0.000 2.092 136 R HA -0.004 4.362 4.340 0.043 0.000 0.231 136 R C 1.619 177.661 176.300 -0.430 0.000 1.119 136 R CA 0.955 56.720 56.100 -0.558 0.000 0.970 136 R CB -0.741 29.229 30.300 -0.549 0.000 0.864 136 R HN 0.297 nan 8.270 nan 0.000 0.440 137 F N 1.857 121.727 119.950 -0.133 0.000 2.113 137 F HA -0.009 4.545 4.527 0.044 0.000 0.297 137 F C 2.427 178.176 175.800 -0.086 0.000 1.103 137 F CA 0.947 58.892 58.000 -0.093 0.000 1.248 137 F CB -0.656 38.280 39.000 -0.107 0.000 0.999 137 F HN -0.135 nan 8.300 nan 0.000 0.475 138 L N -0.357 120.904 121.223 0.063 0.000 2.083 138 L HA -0.183 4.183 4.340 0.043 0.000 0.209 138 L C 2.667 179.547 176.870 0.016 0.000 1.083 138 L CA 1.076 55.913 54.840 -0.004 0.000 0.752 138 L CB -0.899 41.112 42.059 -0.080 0.000 0.899 138 L HN 0.176 nan 8.230 nan 0.000 0.433 139 A N -0.995 121.835 122.820 0.017 0.000 1.873 139 A HA -0.220 4.126 4.320 0.043 0.000 0.215 139 A C 2.287 179.916 177.584 0.075 0.000 1.186 139 A CA 1.401 53.486 52.037 0.080 0.000 0.616 139 A CB -0.445 18.644 19.000 0.150 0.000 0.823 139 A HN 0.360 nan 8.150 nan 0.000 0.442 140 Q N -0.048 119.781 119.800 0.048 0.000 2.020 140 Q HA -0.076 4.290 4.340 0.043 0.000 0.198 140 Q C 2.221 178.255 176.000 0.057 0.000 0.974 140 Q CA 2.028 57.864 55.803 0.055 0.000 0.829 140 Q CB -0.366 28.389 28.738 0.029 0.000 0.894 140 Q HN 0.395 nan 8.270 nan 0.000 0.433 141 V N 1.401 121.350 119.914 0.058 0.000 2.379 141 V HA -0.135 4.011 4.120 0.043 0.000 0.245 141 V C 1.800 177.912 176.094 0.030 0.000 1.044 141 V CA 1.664 63.992 62.300 0.046 0.000 1.036 141 V CB -0.228 31.623 31.823 0.047 0.000 0.664 141 V HN 0.252 nan 8.190 nan 0.000 0.453 142 E N -0.312 119.903 120.200 0.026 0.000 2.481 142 E HA 0.196 4.572 4.350 0.043 0.000 0.198 142 E C 1.707 178.326 176.600 0.031 0.000 1.027 142 E CA 0.704 57.115 56.400 0.018 0.000 0.900 142 E CB 0.435 30.137 29.700 0.003 0.000 0.993 142 E HN 0.597 nan 8.360 nan 0.000 0.482 143 G N 1.724 110.553 108.800 0.047 0.000 2.179 143 G HA2 -0.315 3.671 3.960 0.043 0.000 0.257 143 G HA3 -0.315 3.671 3.960 0.043 0.000 0.257 143 G C 0.512 175.454 174.900 0.069 0.000 1.010 143 G CA 0.466 45.603 45.100 0.061 0.000 0.736 143 G HN 0.481 nan 8.290 nan 0.000 0.513 144 A N -1.005 121.855 122.820 0.066 0.000 2.304 144 A HA 0.749 5.095 4.320 0.043 0.000 0.271 144 A C 0.425 178.085 177.584 0.126 0.000 1.091 144 A CA 0.014 52.096 52.037 0.075 0.000 0.812 144 A CB 1.313 20.338 19.000 0.042 0.000 1.056 144 A HN 1.093 nan 8.150 nan 0.000 0.489 145 V N 2.208 122.205 119.914 0.138 0.000 2.350 145 V HA 0.367 4.513 4.120 0.043 0.000 0.276 145 V C -0.221 176.001 176.094 0.213 0.000 1.028 145 V CA -0.115 62.298 62.300 0.188 0.000 0.860 145 V CB 0.797 32.721 31.823 0.169 0.000 0.990 145 V HN 0.712 nan 8.190 nan 0.000 0.453 146 L N 6.509 127.912 121.223 0.299 0.000 2.322 146 L HA 0.757 5.123 4.340 0.043 0.000 0.281 146 L C -0.786 176.372 176.870 0.480 0.000 1.014 146 L CA -0.245 54.821 54.840 0.376 0.000 0.815 146 L CB 1.799 44.069 42.059 0.351 0.000 1.247 146 L HN 0.435 nan 8.230 nan 0.000 0.421 147 V N 3.005 123.177 119.914 0.429 0.000 2.680 147 V HA 0.736 4.882 4.120 0.043 0.000 0.309 147 V C -0.490 175.865 176.094 0.435 0.000 1.052 147 V CA -0.456 62.063 62.300 0.364 0.000 0.908 147 V CB 1.991 33.948 31.823 0.224 0.000 1.001 147 V HN 0.850 nan 8.190 nan 0.000 0.431 148 S N 4.811 120.758 115.700 0.412 0.000 2.548 148 S HA 0.845 5.341 4.470 0.043 0.000 0.276 148 S C -0.892 173.875 174.600 0.279 0.000 1.129 148 S CA -0.826 57.628 58.200 0.423 0.000 0.931 148 S CB 2.136 65.716 63.200 0.633 0.000 1.068 148 S HN 0.885 nan 8.310 nan 0.000 0.480 149 M N 1.393 121.112 119.600 0.199 0.000 2.662 149 M HA 0.669 5.175 4.480 0.043 0.000 0.310 149 M C -1.623 174.888 176.300 0.351 0.000 1.204 149 M CA -0.545 54.865 55.300 0.183 0.000 0.891 149 M CB 1.116 33.652 32.600 -0.107 0.000 1.732 149 M HN 0.542 nan 8.290 nan 0.000 0.467 150 N N 2.116 121.085 118.700 0.450 0.000 2.509 150 N HA 0.644 5.410 4.740 0.043 0.000 0.287 150 N C -1.468 174.306 175.510 0.442 0.000 1.121 150 N CA 0.079 53.406 53.050 0.462 0.000 0.977 150 N CB 0.756 39.451 38.487 0.347 0.000 1.167 150 N HN 0.721 nan 8.380 nan 0.000 0.476 151 Y N -2.018 118.445 120.300 0.272 0.000 2.562 151 Y HA 0.558 5.133 4.550 0.043 0.000 0.345 151 Y C -0.162 175.864 175.900 0.210 0.000 1.045 151 Y CA -1.314 56.900 58.100 0.190 0.000 1.028 151 Y CB 0.907 39.411 38.460 0.073 0.000 1.297 151 Y HN 0.194 nan 8.280 nan 0.000 0.463 152 R N 1.936 122.569 120.500 0.221 0.000 2.570 152 R HA 0.476 4.842 4.340 0.043 0.000 0.277 152 R C -0.255 176.191 176.300 0.244 0.000 1.039 152 R CA -0.132 56.062 56.100 0.155 0.000 1.065 152 R CB 0.771 31.136 30.300 0.108 0.000 0.964 152 R HN 0.714 nan 8.270 nan 0.000 0.428 153 V N -0.325 119.769 119.914 0.299 0.000 3.181 153 V HA 0.875 5.021 4.120 0.043 0.000 0.314 153 V C 0.768 177.176 176.094 0.523 0.000 1.173 153 V CA -0.185 62.402 62.300 0.478 0.000 1.052 153 V CB 1.145 33.149 31.823 0.302 0.000 1.123 153 V HN 0.971 nan 8.190 nan 0.000 0.454 154 G N 1.540 110.677 108.800 0.562 0.000 2.578 154 G HA2 -0.290 3.696 3.960 0.043 0.000 0.275 154 G HA3 -0.290 3.696 3.960 0.043 0.000 0.275 154 G C 1.035 176.069 174.900 0.224 0.000 1.271 154 G CA 1.523 46.885 45.100 0.435 0.000 0.941 154 G HN 2.384 nan 8.290 nan 0.000 0.564 155 T N -1.900 112.499 114.554 -0.258 0.000 2.759 155 T HA -0.096 4.280 4.350 0.043 0.000 0.269 155 T C 2.134 176.669 174.700 -0.276 0.000 1.042 155 T CA 2.607 64.305 62.100 -0.671 0.000 1.140 155 T CB -0.414 67.893 68.868 -0.936 0.000 0.864 155 T HN 0.608 nan 8.240 nan 0.000 0.455 156 F N 2.242 122.261 119.950 0.115 0.000 2.161 156 F HA 0.189 4.742 4.527 0.043 0.000 0.300 156 F C 2.750 178.556 175.800 0.010 0.000 1.089 156 F CA 0.963 58.987 58.000 0.039 0.000 1.282 156 F CB -0.941 38.056 39.000 -0.006 0.000 1.010 156 F HN 0.398 nan 8.300 nan 0.000 0.485 157 G N -2.391 106.480 108.800 0.118 0.000 2.833 157 G HA2 0.045 4.031 3.960 0.043 0.000 0.210 157 G HA3 0.045 4.031 3.960 0.043 0.000 0.210 157 G C 0.857 175.299 174.900 -0.763 0.000 1.139 157 G CA 0.149 45.080 45.100 -0.283 0.000 0.771 157 G HN 0.335 nan 8.290 nan 0.000 0.535 158 F N -0.449 119.592 119.950 0.152 0.000 2.856 158 F HA 0.433 4.986 4.527 0.044 0.000 0.338 158 F C 0.496 176.370 175.800 0.123 0.000 1.100 158 F CA -1.000 57.069 58.000 0.114 0.000 1.150 158 F CB 0.413 39.487 39.000 0.122 0.000 1.101 158 F HN -0.080 nan 8.300 nan 0.000 0.548 159 L N 2.050 123.328 121.223 0.092 0.000 2.462 159 L HA 0.555 4.921 4.340 0.043 0.000 0.272 159 L C -0.075 176.759 176.870 -0.061 0.000 1.166 159 L CA 0.041 54.844 54.840 -0.062 0.000 0.880 159 L CB 0.394 42.113 42.059 -0.566 0.000 1.142 159 L HN 0.113 nan 8.230 nan 0.000 0.473 160 A N 6.152 128.981 122.820 0.015 0.000 2.475 160 A HA 0.714 5.060 4.320 0.043 0.000 0.301 160 A C -1.155 176.407 177.584 -0.036 0.000 1.059 160 A CA -0.614 51.411 52.037 -0.020 0.000 0.710 160 A CB 1.483 20.505 19.000 0.036 0.000 1.288 160 A HN 0.713 nan 8.150 nan 0.000 0.408 161 L N 2.395 123.588 121.223 -0.050 0.000 2.457 161 L HA 0.305 4.671 4.340 0.043 0.000 0.252 161 L C -2.551 174.308 176.870 -0.018 0.000 1.132 161 L CA -1.801 53.015 54.840 -0.040 0.000 0.938 161 L CB 1.589 43.611 42.059 -0.062 0.000 1.246 161 L HN 0.410 nan 8.230 nan 0.000 0.476 162 P HA -0.031 nan 4.420 nan 0.000 0.261 162 P C 1.012 178.313 177.300 0.003 0.000 1.165 162 P CA 1.177 64.279 63.100 0.003 0.000 0.759 162 P CB 0.738 32.440 31.700 0.003 0.000 0.772 163 G N 1.869 110.674 108.800 0.009 0.000 2.284 163 G HA2 -0.268 3.718 3.960 0.043 0.000 0.247 163 G HA3 -0.268 3.718 3.960 0.043 0.000 0.247 163 G C 0.480 175.385 174.900 0.009 0.000 1.012 163 G CA 0.299 45.405 45.100 0.009 0.000 0.618 163 G HN 0.830 nan 8.290 nan 0.000 0.521 164 S N 0.068 115.771 115.700 0.005 0.000 2.600 164 S HA 0.536 5.032 4.470 0.043 0.000 0.265 164 S C 1.297 175.906 174.600 0.015 0.000 1.325 164 S CA 0.617 58.820 58.200 0.005 0.000 1.002 164 S CB 1.808 65.004 63.200 -0.006 0.000 0.921 164 S HN 0.698 nan 8.310 nan 0.000 0.554 165 R N 0.658 121.169 120.500 0.019 0.000 2.156 165 R HA 0.016 4.383 4.340 0.043 0.000 0.207 165 R C 1.287 177.609 176.300 0.037 0.000 1.040 165 R CA 0.927 57.044 56.100 0.027 0.000 1.013 165 R CB -0.166 30.149 30.300 0.025 0.000 0.931 165 R HN 0.892 nan 8.270 nan 0.000 0.465 166 E N -0.032 120.191 120.200 0.038 0.000 2.479 166 E HA 0.079 4.455 4.350 0.043 0.000 0.193 166 E C -0.317 176.335 176.600 0.087 0.000 1.049 166 E CA 0.367 56.805 56.400 0.063 0.000 0.870 166 E CB 1.018 30.757 29.700 0.065 0.000 0.944 166 E HN 0.276 nan 8.360 nan 0.000 0.492 167 A N 2.344 125.189 122.820 0.042 0.000 3.330 167 A HA 0.286 4.632 4.320 0.043 0.000 0.256 167 A C -2.221 175.366 177.584 0.005 0.000 1.185 167 A CA -0.764 51.285 52.037 0.020 0.000 0.940 167 A CB 0.733 19.655 19.000 -0.128 0.000 1.397 167 A HN -0.054 nan 8.150 nan 0.000 0.678 168 P HA 0.148 nan 4.420 nan 0.000 0.234 168 P C 0.912 178.232 177.300 0.033 0.000 1.167 168 P CA 1.771 64.891 63.100 0.032 0.000 0.763 168 P CB 0.095 31.822 31.700 0.045 0.000 0.835 169 G N 1.051 109.868 108.800 0.029 0.000 2.730 169 G HA2 -0.197 3.789 3.960 0.043 0.000 0.686 169 G HA3 -0.197 3.789 3.960 0.043 0.000 0.686 169 G C -0.056 174.850 174.900 0.010 0.000 1.343 169 G CA -0.315 44.806 45.100 0.035 0.000 0.826 169 G HN 0.149 nan 8.290 nan 0.000 0.582 170 N N -2.346 116.361 118.700 0.011 0.000 2.713 170 N HA -0.289 4.477 4.740 0.043 0.000 0.251 170 N C 1.907 177.280 175.510 -0.228 0.000 1.117 170 N CA 2.415 55.411 53.050 -0.090 0.000 0.770 170 N CB -1.686 36.699 38.487 -0.171 0.000 1.137 170 N HN 1.934 nan 8.380 nan 0.000 0.566 171 V N -2.725 117.053 119.914 -0.227 0.000 2.594 171 V HA -0.023 4.123 4.120 0.043 0.000 0.253 171 V C 2.295 178.266 176.094 -0.206 0.000 1.069 171 V CA 2.272 64.482 62.300 -0.149 0.000 1.082 171 V CB -0.896 30.888 31.823 -0.065 0.000 0.680 171 V HN 0.283 nan 8.190 nan 0.000 0.469 172 G N 0.283 108.771 108.800 -0.520 0.000 2.422 172 G HA2 -0.106 3.880 3.960 0.043 0.000 0.218 172 G HA3 -0.106 3.880 3.960 0.043 0.000 0.218 172 G C 1.534 176.392 174.900 -0.071 0.000 1.140 172 G CA 1.069 45.988 45.100 -0.301 0.000 0.775 172 G HN 0.541 nan 8.290 nan 0.000 0.545 173 L N -0.221 120.905 121.223 -0.162 0.000 2.131 173 L HA 0.132 4.498 4.340 0.043 0.000 0.206 173 L C 2.759 179.624 176.870 -0.008 0.000 1.087 173 L CA 0.283 54.990 54.840 -0.221 0.000 0.767 173 L CB -0.256 41.316 42.059 -0.813 0.000 0.917 173 L HN 0.170 nan 8.230 nan 0.000 0.441 174 L N -0.517 120.717 121.223 0.018 0.000 2.141 174 L HA -0.190 4.176 4.340 0.043 0.000 0.209 174 L C 2.113 179.097 176.870 0.191 0.000 1.094 174 L CA 0.755 55.706 54.840 0.185 0.000 0.763 174 L CB -0.564 41.587 42.059 0.154 0.000 0.908 174 L HN 0.272 nan 8.230 nan 0.000 0.437 175 D N 0.034 120.534 120.400 0.168 0.000 2.097 175 D HA -0.200 4.466 4.640 0.043 0.000 0.195 175 D C 2.272 178.716 176.300 0.239 0.000 0.989 175 D CA 1.186 55.367 54.000 0.301 0.000 0.827 175 D CB -0.193 40.806 40.800 0.331 0.000 0.966 175 D HN 0.379 nan 8.370 nan 0.000 0.456 176 Q N 0.180 120.051 119.800 0.118 0.000 2.061 176 Q HA -0.166 4.200 4.340 0.043 0.000 0.204 176 Q C 2.302 178.281 176.000 -0.036 0.000 0.984 176 Q CA 1.206 56.998 55.803 -0.019 0.000 0.846 176 Q CB -0.106 28.621 28.738 -0.019 0.000 0.902 176 Q HN 0.204 nan 8.270 nan 0.000 0.421 177 R N 0.551 121.141 120.500 0.150 0.000 2.081 177 R HA -0.184 4.182 4.340 0.043 0.000 0.235 177 R C 2.229 178.581 176.300 0.085 0.000 1.131 177 R CA 1.123 57.301 56.100 0.131 0.000 0.960 177 R CB -0.263 30.228 30.300 0.319 0.000 0.856 177 R HN 0.227 nan 8.270 nan 0.000 0.436 178 L N 0.808 122.114 121.223 0.139 0.000 2.046 178 L HA -0.078 4.288 4.340 0.043 0.000 0.208 178 L C 2.279 179.197 176.870 0.080 0.000 1.077 178 L CA 2.167 57.118 54.840 0.184 0.000 0.747 178 L CB -0.696 41.559 42.059 0.328 0.000 0.896 178 L HN 0.276 nan 8.230 nan 0.000 0.432 179 A N -1.098 121.573 122.820 -0.249 0.000 1.933 179 A HA -0.146 4.200 4.320 0.043 0.000 0.218 179 A C 2.112 179.640 177.584 -0.094 0.000 1.175 179 A CA 1.709 53.427 52.037 -0.532 0.000 0.628 179 A CB -0.728 17.683 19.000 -0.980 0.000 0.814 179 A HN 0.416 nan 8.150 nan 0.000 0.444 180 L N -0.748 120.428 121.223 -0.078 0.000 2.093 180 L HA -0.146 4.220 4.340 0.043 0.000 0.208 180 L C 2.589 179.504 176.870 0.074 0.000 1.085 180 L CA 2.144 56.975 54.840 -0.016 0.000 0.755 180 L CB -0.828 41.174 42.059 -0.094 0.000 0.904 180 L HN 0.523 nan 8.230 nan 0.000 0.435 181 Q N -1.605 118.252 119.800 0.094 0.000 2.079 181 Q HA -0.259 4.107 4.340 0.043 0.000 0.200 181 Q C 2.159 178.251 176.000 0.153 0.000 0.974 181 Q CA 1.799 57.671 55.803 0.114 0.000 0.840 181 Q CB -0.492 28.322 28.738 0.128 0.000 0.898 181 Q HN 0.518 nan 8.270 nan 0.000 0.430 182 W N -0.797 120.517 121.300 0.023 0.000 2.358 182 W HA -0.171 4.515 4.660 0.043 0.000 0.303 182 W C 1.724 178.275 176.519 0.054 0.000 1.208 182 W CA 1.551 58.931 57.345 0.058 0.000 1.274 182 W CB -0.179 29.322 29.460 0.067 0.000 1.138 182 W HN -0.013 nan 8.180 nan 0.000 0.515 183 V N 1.004 121.144 119.914 0.378 0.000 2.332 183 V HA -0.358 3.788 4.120 0.043 0.000 0.248 183 V C 2.573 178.688 176.094 0.034 0.000 1.055 183 V CA 2.079 64.515 62.300 0.227 0.000 1.038 183 V CB -1.022 30.939 31.823 0.231 0.000 0.651 183 V HN 0.216 nan 8.190 nan 0.000 0.450 184 Q N 0.079 119.905 119.800 0.042 0.000 2.030 184 Q HA -0.235 4.131 4.340 0.043 0.000 0.204 184 Q C 2.220 178.190 176.000 -0.049 0.000 0.986 184 Q CA 1.958 57.772 55.803 0.018 0.000 0.843 184 Q CB -0.386 28.371 28.738 0.031 0.000 0.904 184 Q HN 0.746 nan 8.270 nan 0.000 0.420 185 E N -0.231 119.905 120.200 -0.106 0.000 2.274 185 E HA -0.059 4.317 4.350 0.043 0.000 0.194 185 E C 1.220 177.654 176.600 -0.276 0.000 0.996 185 E CA 0.577 56.876 56.400 -0.168 0.000 0.840 185 E CB 0.159 29.755 29.700 -0.173 0.000 0.772 185 E HN 0.336 nan 8.360 nan 0.000 0.491 186 N N -0.191 118.254 118.700 -0.425 0.000 2.266 186 N HA 0.029 4.796 4.740 0.043 0.000 0.217 186 N C 1.472 176.885 175.510 -0.161 0.000 1.211 186 N CA -0.015 52.747 53.050 -0.480 0.000 0.881 186 N CB 0.397 38.178 38.487 -1.177 0.000 1.153 186 N HN 0.019 nan 8.380 nan 0.000 0.489 187 I N 2.658 123.186 120.570 -0.070 0.000 2.423 187 I HA -0.171 4.025 4.170 0.043 0.000 0.254 187 I C 2.172 178.404 176.117 0.191 0.000 1.151 187 I CA 0.701 62.095 61.300 0.157 0.000 1.421 187 I CB -0.308 37.760 38.000 0.114 0.000 1.079 187 I HN 0.088 nan 8.210 nan 0.000 0.431 188 A N 0.113 122.970 122.820 0.063 0.000 1.978 188 A HA -0.147 4.199 4.320 0.043 0.000 0.220 188 A C 2.455 180.044 177.584 0.007 0.000 1.170 188 A CA 1.662 53.719 52.037 0.033 0.000 0.636 188 A CB -1.054 17.939 19.000 -0.012 0.000 0.810 188 A HN 0.475 nan 8.150 nan 0.000 0.448 189 A N -1.663 121.127 122.820 -0.050 0.000 2.121 189 A HA 0.135 4.481 4.320 0.043 0.000 0.218 189 A C 1.503 178.891 177.584 -0.327 0.000 1.154 189 A CA 1.060 52.957 52.037 -0.233 0.000 0.679 189 A CB -0.588 18.174 19.000 -0.397 0.000 0.795 189 A HN 0.493 nan 8.150 nan 0.000 0.458 190 F N -1.389 118.512 119.950 -0.082 0.000 2.695 190 F HA 0.381 4.935 4.527 0.044 0.000 0.303 190 F C 1.782 177.586 175.800 0.006 0.000 1.091 190 F CA 0.514 58.478 58.000 -0.061 0.000 1.300 190 F CB 0.334 39.313 39.000 -0.036 0.000 1.071 190 F HN 0.318 nan 8.300 nan 0.000 0.578 191 G N 0.169 109.058 108.800 0.148 0.000 2.159 191 G HA2 -0.171 3.815 3.960 0.043 0.000 0.227 191 G HA3 -0.171 3.815 3.960 0.043 0.000 0.227 191 G C 0.637 175.604 174.900 0.112 0.000 0.986 191 G CA -0.305 44.856 45.100 0.103 0.000 0.651 191 G HN 0.708 nan 8.290 nan 0.000 0.523 192 G N -0.436 108.452 108.800 0.146 0.000 2.476 192 G HA2 0.472 4.458 3.960 0.043 0.000 0.269 192 G HA3 0.472 4.458 3.960 0.043 0.000 0.269 192 G C -0.693 174.256 174.900 0.082 0.000 1.195 192 G CA 0.310 45.482 45.100 0.120 0.000 0.843 192 G HN 0.226 nan 8.290 nan 0.000 0.545 193 D N 1.232 121.671 120.400 0.064 0.000 2.396 193 D HA 0.270 4.936 4.640 0.043 0.000 0.225 193 D C -1.106 175.228 176.300 0.057 0.000 1.121 193 D CA -2.387 51.636 54.000 0.037 0.000 0.853 193 D CB 1.873 42.677 40.800 0.007 0.000 1.043 193 D HN 0.065 nan 8.370 nan 0.000 0.500 194 P HA -0.078 nan 4.420 nan 0.000 0.230 194 P C 1.173 178.568 177.300 0.158 0.000 1.158 194 P CA 0.419 63.582 63.100 0.104 0.000 0.769 194 P CB 0.242 31.981 31.700 0.066 0.000 0.807 195 M N -0.960 118.661 119.600 0.036 0.000 2.595 195 M HA 0.079 4.586 4.480 0.043 0.000 0.248 195 M C 0.888 176.867 176.300 -0.535 0.000 1.119 195 M CA 0.713 55.938 55.300 -0.124 0.000 1.079 195 M CB -0.668 31.856 32.600 -0.127 0.000 1.472 195 M HN -0.115 nan 8.290 nan 0.000 0.501 196 S N 1.071 116.654 115.700 -0.195 0.000 2.279 196 S HA 0.474 4.970 4.470 0.043 0.000 0.176 196 S C -1.010 173.682 174.600 0.153 0.000 1.554 196 S CA -0.431 57.672 58.200 -0.163 0.000 1.242 196 S CB 0.386 63.510 63.200 -0.127 0.000 1.163 196 S HN -0.026 nan 8.310 nan 0.000 0.449 197 V N 3.896 124.114 119.914 0.506 0.000 2.448 197 V HA 0.584 4.730 4.120 0.043 0.000 0.295 197 V C -0.028 176.250 176.094 0.307 0.000 1.025 197 V CA -0.484 62.016 62.300 0.334 0.000 0.859 197 V CB 2.013 34.003 31.823 0.278 0.000 0.988 197 V HN 0.721 nan 8.190 nan 0.000 0.431 198 T N 6.385 121.063 114.554 0.206 0.000 2.786 198 T HA 0.603 4.979 4.350 0.043 0.000 0.283 198 T C -0.357 174.470 174.700 0.212 0.000 0.992 198 T CA -0.353 61.864 62.100 0.196 0.000 0.954 198 T CB 0.906 69.834 68.868 0.101 0.000 0.934 198 T HN 0.348 nan 8.240 nan 0.000 0.440 199 L N 4.719 126.042 121.223 0.167 0.000 2.312 199 L HA 0.730 5.096 4.340 0.043 0.000 0.281 199 L C -0.491 176.574 176.870 0.326 0.000 1.070 199 L CA -0.928 53.984 54.840 0.120 0.000 0.805 199 L CB 0.493 42.403 42.059 -0.249 0.000 1.174 199 L HN 0.632 nan 8.230 nan 0.000 0.434 200 F N 0.445 120.454 119.950 0.100 0.000 2.601 200 F HA 0.960 5.513 4.527 0.043 0.000 0.309 200 F C -0.331 175.461 175.800 -0.014 0.000 1.089 200 F CA -1.357 56.755 58.000 0.186 0.000 0.940 200 F CB 1.605 40.858 39.000 0.420 0.000 1.273 200 F HN 0.480 nan 8.300 nan 0.000 0.450 201 G N 1.303 109.992 108.800 -0.184 0.000 2.646 201 G HA2 0.497 4.483 3.960 0.043 0.000 0.291 201 G HA3 0.497 4.483 3.960 0.043 0.000 0.291 201 G C -2.538 172.130 174.900 -0.387 0.000 1.445 201 G CA -0.794 43.780 45.100 -0.876 0.000 0.814 201 G HN 0.857 nan 8.290 nan 0.000 0.495 202 E N 0.285 120.209 120.200 -0.460 0.000 2.266 202 E HA 0.640 5.016 4.350 0.043 0.000 0.268 202 E C 0.616 177.147 176.600 -0.114 0.000 0.879 202 E CA 0.214 56.565 56.400 -0.081 0.000 0.762 202 E CB 2.172 31.960 29.700 0.146 0.000 1.199 202 E HN 0.782 nan 8.360 nan 0.000 0.422 203 S N 2.445 118.160 115.700 0.025 0.000 4.114 203 S HA -0.387 4.109 4.470 0.043 0.000 0.618 203 S C 1.435 176.123 174.600 0.147 0.000 1.937 203 S CA 1.964 60.260 58.200 0.160 0.000 4.228 203 S CB -1.566 61.670 63.200 0.061 0.000 0.216 203 S HN 0.939 nan 8.310 nan 0.000 0.528 204 A N 0.938 123.696 122.820 -0.104 0.000 2.024 204 A HA 0.134 4.480 4.320 0.043 0.000 0.220 204 A C 2.400 179.698 177.584 -0.476 0.000 1.164 204 A CA 2.434 54.203 52.037 -0.447 0.000 0.643 204 A CB -1.483 16.769 19.000 -1.246 0.000 0.806 204 A HN 1.523 nan 8.150 nan 0.000 0.451 205 G N -0.651 107.929 108.800 -0.367 0.000 2.408 205 G HA2 0.048 4.034 3.960 0.043 0.000 0.217 205 G HA3 0.048 4.034 3.960 0.043 0.000 0.217 205 G C 1.687 176.402 174.900 -0.309 0.000 1.150 205 G CA 1.242 46.082 45.100 -0.434 0.000 0.776 205 G HN 0.748 nan 8.290 nan 0.000 0.542 206 A N 1.194 123.908 122.820 -0.175 0.000 1.898 206 A HA 0.353 4.699 4.320 0.043 0.000 0.216 206 A C 2.814 180.375 177.584 -0.037 0.000 1.181 206 A CA 2.037 54.034 52.037 -0.066 0.000 0.620 206 A CB -0.784 18.236 19.000 0.035 0.000 0.819 206 A HN 0.718 nan 8.150 nan 0.000 0.442 207 A N -0.361 122.462 122.820 0.005 0.000 1.908 207 A HA -0.101 4.245 4.320 0.043 0.000 0.218 207 A C 2.448 180.036 177.584 0.007 0.000 1.181 207 A CA 2.176 54.211 52.037 -0.004 0.000 0.627 207 A CB -0.910 18.123 19.000 0.055 0.000 0.818 207 A HN 0.450 nan 8.150 nan 0.000 0.445 208 S N -0.449 115.250 115.700 -0.001 0.000 2.356 208 S HA -0.147 4.349 4.470 0.043 0.000 0.223 208 S C 1.912 176.474 174.600 -0.064 0.000 1.032 208 S CA 1.446 59.611 58.200 -0.059 0.000 1.005 208 S CB -0.589 62.507 63.200 -0.173 0.000 0.867 208 S HN 0.349 nan 8.310 nan 0.000 0.449 209 V N 1.760 121.641 119.914 -0.056 0.000 2.324 209 V HA -0.212 3.934 4.120 0.043 0.000 0.250 209 V C 2.612 178.707 176.094 0.002 0.000 1.060 209 V CA 2.039 64.320 62.300 -0.032 0.000 1.042 209 V CB -1.524 30.253 31.823 -0.077 0.000 0.650 209 V HN 0.612 nan 8.190 nan 0.000 0.450 210 G N -1.113 107.677 108.800 -0.015 0.000 2.422 210 G HA2 -0.271 3.715 3.960 0.043 0.000 0.218 210 G HA3 -0.271 3.715 3.960 0.043 0.000 0.218 210 G C 1.607 176.523 174.900 0.027 0.000 1.146 210 G CA 1.015 46.111 45.100 -0.007 0.000 0.769 210 G HN 0.456 nan 8.290 nan 0.000 0.547 211 M N -0.510 119.087 119.600 -0.006 0.000 2.296 211 M HA 0.034 4.540 4.480 0.043 0.000 0.265 211 M C 2.186 178.552 176.300 0.110 0.000 1.064 211 M CA 0.978 56.305 55.300 0.045 0.000 1.109 211 M CB -0.127 32.462 32.600 -0.018 0.000 1.396 211 M HN 0.328 nan 8.290 nan 0.000 0.430 212 H N -0.333 118.852 119.070 0.191 0.000 2.428 212 H HA 0.017 4.599 4.556 0.043 0.000 0.296 212 H C 1.936 177.459 175.328 0.325 0.000 1.062 212 H CA 1.248 57.422 56.048 0.210 0.000 1.350 212 H CB 0.101 29.856 29.762 -0.011 0.000 1.403 212 H HN 0.289 nan 8.280 nan 0.000 0.533 213 I N 0.347 121.164 120.570 0.412 0.000 2.226 213 I HA -0.231 3.965 4.170 0.043 0.000 0.245 213 I C 1.282 177.579 176.117 0.299 0.000 1.100 213 I CA 1.184 62.742 61.300 0.429 0.000 1.374 213 I CB -0.017 38.131 38.000 0.248 0.000 1.057 213 I HN 0.252 nan 8.210 nan 0.000 0.413 214 L N -0.719 120.632 121.223 0.213 0.000 2.591 214 L HA 0.077 4.443 4.340 0.043 0.000 0.228 214 L C 0.856 177.767 176.870 0.069 0.000 1.133 214 L CA 0.058 55.001 54.840 0.171 0.000 0.880 214 L CB -0.139 42.001 42.059 0.134 0.000 1.033 214 L HN 0.035 nan 8.230 nan 0.000 0.450 215 S N -0.430 115.277 115.700 0.012 0.000 2.640 215 S HA 0.297 4.793 4.470 0.043 0.000 0.320 215 S C 0.742 175.268 174.600 -0.123 0.000 1.097 215 S CA -0.626 57.458 58.200 -0.194 0.000 1.092 215 S CB 1.304 64.087 63.200 -0.694 0.000 0.988 215 S HN 0.099 nan 8.310 nan 0.000 0.470 216 L N 6.761 127.921 121.223 -0.106 0.000 1.997 216 L HA -0.023 4.343 4.340 0.043 0.000 0.216 216 L C -0.902 175.930 176.870 -0.065 0.000 1.074 216 L CA 2.343 57.140 54.840 -0.072 0.000 0.763 216 L CB -1.073 40.943 42.059 -0.071 0.000 0.890 216 L HN 0.526 nan 8.230 nan 0.000 0.434 217 P HA -0.114 nan 4.420 nan 0.000 0.219 217 P C 1.646 178.948 177.300 0.004 0.000 1.146 217 P CA 1.387 64.456 63.100 -0.051 0.000 0.808 217 P CB 0.036 31.693 31.700 -0.072 0.000 0.779 218 S N -1.093 114.629 115.700 0.037 0.000 2.436 218 S HA -0.013 4.483 4.470 0.043 0.000 0.228 218 S C 1.823 176.555 174.600 0.221 0.000 1.014 218 S CA 0.493 58.815 58.200 0.203 0.000 0.950 218 S CB -0.391 63.064 63.200 0.425 0.000 0.784 218 S HN 0.072 nan 8.310 nan 0.000 0.504 219 R N 2.035 122.575 120.500 0.066 0.000 2.127 219 R HA -0.035 4.331 4.340 0.043 0.000 0.238 219 R C 2.244 178.379 176.300 -0.275 0.000 1.134 219 R CA 1.449 57.443 56.100 -0.176 0.000 0.975 219 R CB -1.252 28.964 30.300 -0.140 0.000 0.865 219 R HN 0.582 nan 8.270 nan 0.000 0.447 220 S N -0.228 115.398 115.700 -0.124 0.000 2.603 220 S HA 0.104 4.600 4.470 0.043 0.000 0.220 220 S C 1.648 176.184 174.600 -0.107 0.000 0.967 220 S CA 0.086 58.212 58.200 -0.124 0.000 0.920 220 S CB -0.139 63.028 63.200 -0.056 0.000 0.773 220 S HN 0.213 nan 8.310 nan 0.000 0.529 221 L N 0.413 121.613 121.223 -0.039 0.000 2.640 221 L HA 0.472 4.838 4.340 0.043 0.000 0.230 221 L C 0.071 176.987 176.870 0.076 0.000 1.123 221 L CA -0.284 54.583 54.840 0.045 0.000 0.900 221 L CB -0.061 42.066 42.059 0.113 0.000 1.146 221 L HN 0.528 nan 8.230 nan 0.000 0.484 222 F N -4.047 115.700 119.950 -0.338 0.000 2.741 222 F HA 0.445 4.998 4.527 0.043 0.000 0.313 222 F C 0.227 175.638 175.800 -0.649 0.000 1.153 222 F CA -1.105 56.634 58.000 -0.436 0.000 0.931 222 F CB 0.877 39.786 39.000 -0.151 0.000 1.335 222 F HN -0.121 nan 8.300 nan 0.000 0.460 223 H N -1.200 117.917 119.070 0.078 0.000 3.091 223 H HA 0.527 5.109 4.556 0.043 0.000 0.249 223 H C -0.284 175.055 175.328 0.019 0.000 0.985 223 H CA -0.223 55.787 56.048 -0.064 0.000 1.177 223 H CB 0.634 30.371 29.762 -0.042 0.000 1.456 223 H HN 0.391 nan 8.280 nan 0.000 0.467 224 R N 0.088 120.766 120.500 0.297 0.000 2.799 224 R HA 0.822 5.188 4.340 0.043 0.000 0.270 224 R C -1.478 175.079 176.300 0.428 0.000 1.010 224 R CA -0.932 55.319 56.100 0.252 0.000 0.916 224 R CB 2.502 32.761 30.300 -0.070 0.000 1.228 224 R HN 0.149 nan 8.270 nan 0.000 0.469 225 A N 0.870 123.954 122.820 0.440 0.000 2.515 225 A HA 0.702 5.048 4.320 0.043 0.000 0.298 225 A C -1.445 176.308 177.584 0.282 0.000 1.059 225 A CA -0.633 51.606 52.037 0.337 0.000 0.698 225 A CB 1.976 21.136 19.000 0.267 0.000 1.289 225 A HN 0.291 nan 8.150 nan 0.000 0.404 226 V N 1.725 121.758 119.914 0.197 0.000 2.531 226 V HA 0.533 4.679 4.120 0.043 0.000 0.301 226 V C -1.183 174.998 176.094 0.145 0.000 1.034 226 V CA -0.304 62.047 62.300 0.085 0.000 0.865 226 V CB 1.288 33.184 31.823 0.123 0.000 0.995 226 V HN 0.677 nan 8.190 nan 0.000 0.424 227 L N 5.044 126.322 121.223 0.091 0.000 2.345 227 L HA 0.510 4.876 4.340 0.043 0.000 0.274 227 L C -0.033 176.926 176.870 0.148 0.000 0.999 227 L CA 0.029 54.921 54.840 0.087 0.000 0.849 227 L CB 1.584 43.650 42.059 0.013 0.000 1.220 227 L HN 0.626 nan 8.230 nan 0.000 0.422 228 Q N 1.907 121.846 119.800 0.232 0.000 2.331 228 Q HA 0.418 4.784 4.340 0.043 0.000 0.257 228 Q C 0.266 176.388 176.000 0.203 0.000 0.957 228 Q CA -0.470 55.523 55.803 0.317 0.000 0.923 228 Q CB 1.181 30.193 28.738 0.457 0.000 1.212 228 Q HN 0.618 nan 8.270 nan 0.000 0.443 229 S N 1.095 116.904 115.700 0.182 0.000 3.614 229 S HA -0.174 4.322 4.470 0.043 0.000 0.360 229 S C 0.040 174.830 174.600 0.318 0.000 1.023 229 S CA 0.549 58.886 58.200 0.230 0.000 1.114 229 S CB -1.179 62.166 63.200 0.241 0.000 0.907 229 S HN 0.977 nan 8.310 nan 0.000 0.470 230 G N -0.467 108.473 108.800 0.234 0.000 2.616 230 G HA2 0.666 4.652 3.960 0.043 0.000 0.294 230 G HA3 0.666 4.652 3.960 0.043 0.000 0.294 230 G C -0.922 174.038 174.900 0.099 0.000 1.489 230 G CA 0.190 45.483 45.100 0.321 0.000 0.836 230 G HN 0.965 nan 8.290 nan 0.000 0.527 231 T N -1.409 113.128 114.554 -0.028 0.000 2.853 231 T HA 0.724 5.100 4.350 0.043 0.000 0.311 231 T C -2.413 172.125 174.700 -0.270 0.000 1.307 231 T CA -1.198 60.816 62.100 -0.143 0.000 1.019 231 T CB 2.976 71.746 68.868 -0.162 0.000 1.264 231 T HN 0.311 nan 8.240 nan 0.000 0.497 232 P HA 0.004 nan 4.420 nan 0.000 0.222 232 P C 0.199 177.335 177.300 -0.272 0.000 1.153 232 P CA 0.579 63.550 63.100 -0.215 0.000 0.798 232 P CB 0.005 31.637 31.700 -0.113 0.000 0.796 233 N N 0.589 119.141 118.700 -0.246 0.000 2.379 233 N HA 0.346 5.112 4.740 0.043 0.000 0.260 233 N C 0.636 175.933 175.510 -0.356 0.000 1.254 233 N CA 0.392 53.300 53.050 -0.238 0.000 0.958 233 N CB 0.650 39.042 38.487 -0.159 0.000 1.208 233 N HN 0.168 nan 8.380 nan 0.000 0.532 234 G N -0.736 107.871 108.800 -0.321 0.000 2.479 234 G HA2 -0.099 3.887 3.960 0.043 0.000 0.686 234 G HA3 -0.099 3.887 3.960 0.043 0.000 0.686 234 G C -2.199 172.444 174.900 -0.428 0.000 1.295 234 G CA -0.249 44.601 45.100 -0.415 0.000 0.922 234 G HN 0.535 nan 8.290 nan 0.000 0.582 235 P HA 0.080 nan 4.420 nan 0.000 0.233 235 P C 1.343 178.557 177.300 -0.143 0.000 1.167 235 P CA 2.075 65.011 63.100 -0.273 0.000 0.770 235 P CB -0.041 31.454 31.700 -0.342 0.000 0.837 236 W N -1.983 119.203 121.300 -0.189 0.000 2.773 236 W HA 0.570 5.256 4.660 0.043 0.000 0.297 236 W C 1.132 177.699 176.519 0.080 0.000 1.050 236 W CA 0.405 57.715 57.345 -0.059 0.000 1.467 236 W CB -0.732 28.724 29.460 -0.006 0.000 0.977 236 W HN -0.164 nan 8.180 nan 0.000 0.573 237 A N 2.042 124.528 122.820 -0.556 0.000 2.119 237 A HA 0.104 4.450 4.320 0.043 0.000 0.217 237 A C 1.151 178.568 177.584 -0.278 0.000 1.153 237 A CA 1.902 53.696 52.037 -0.405 0.000 0.692 237 A CB -0.806 17.701 19.000 -0.822 0.000 0.799 237 A HN 0.254 nan 8.150 nan 0.000 0.458 238 T N -3.322 111.086 114.554 -0.244 0.000 2.864 238 T HA 0.614 4.990 4.350 0.043 0.000 0.299 238 T C -0.691 173.922 174.700 -0.145 0.000 1.166 238 T CA -0.116 61.856 62.100 -0.214 0.000 1.007 238 T CB 1.477 70.231 68.868 -0.190 0.000 1.219 238 T HN 0.960 nan 8.240 nan 0.000 0.506 239 V N -1.180 118.658 119.914 -0.127 0.000 3.078 239 V HA 0.917 5.063 4.120 0.043 0.000 0.311 239 V C 0.190 176.240 176.094 -0.074 0.000 1.138 239 V CA -0.829 61.415 62.300 -0.093 0.000 1.007 239 V CB 1.392 33.160 31.823 -0.093 0.000 1.045 239 V HN 1.389 nan 8.190 nan 0.000 0.432 240 S N 1.795 117.460 115.700 -0.059 0.000 2.614 240 S HA 0.634 5.130 4.470 0.043 0.000 0.265 240 S C 1.428 176.007 174.600 -0.034 0.000 1.303 240 S CA 0.066 58.240 58.200 -0.043 0.000 1.000 240 S CB 1.252 64.430 63.200 -0.038 0.000 0.935 240 S HN 1.984 nan 8.310 nan 0.000 0.551 241 A N 1.856 124.662 122.820 -0.023 0.000 1.883 241 A HA 0.067 4.413 4.320 0.043 0.000 0.217 241 A C 2.228 179.801 177.584 -0.017 0.000 1.186 241 A CA 1.915 53.943 52.037 -0.015 0.000 0.624 241 A CB -1.901 17.094 19.000 -0.008 0.000 0.822 241 A HN 1.174 nan 8.150 nan 0.000 0.444 242 G N -0.655 108.133 108.800 -0.020 0.000 2.418 242 G HA2 -0.242 3.744 3.960 0.043 0.000 0.217 242 G HA3 -0.242 3.744 3.960 0.043 0.000 0.217 242 G C 1.469 176.354 174.900 -0.026 0.000 1.158 242 G CA 1.388 46.476 45.100 -0.020 0.000 0.771 242 G HN 0.586 nan 8.290 nan 0.000 0.545 243 E N 0.795 120.974 120.200 -0.035 0.000 2.208 243 E HA 0.174 4.550 4.350 0.043 0.000 0.193 243 E C 2.575 179.143 176.600 -0.054 0.000 0.988 243 E CA 1.183 57.555 56.400 -0.047 0.000 0.828 243 E CB -0.398 29.267 29.700 -0.057 0.000 0.763 243 E HN 0.278 nan 8.360 nan 0.000 0.478 244 A N 0.945 123.741 122.820 -0.040 0.000 1.855 244 A HA -0.156 4.190 4.320 0.043 0.000 0.215 244 A C 2.287 179.872 177.584 0.001 0.000 1.191 244 A CA 1.674 53.699 52.037 -0.020 0.000 0.613 244 A CB -0.637 18.365 19.000 0.003 0.000 0.829 244 A HN 0.272 nan 8.150 nan 0.000 0.442 245 R N -0.479 120.017 120.500 -0.006 0.000 2.096 245 R HA -0.197 4.169 4.340 0.043 0.000 0.240 245 R C 2.486 178.783 176.300 -0.005 0.000 1.139 245 R CA 1.889 57.985 56.100 -0.007 0.000 0.952 245 R CB -0.349 29.944 30.300 -0.012 0.000 0.854 245 R HN 0.528 nan 8.270 nan 0.000 0.436 246 R N 0.544 121.036 120.500 -0.013 0.000 2.080 246 R HA -0.163 4.204 4.340 0.043 0.000 0.236 246 R C 2.230 178.526 176.300 -0.006 0.000 1.137 246 R CA 2.021 58.113 56.100 -0.013 0.000 0.943 246 R CB -0.186 30.100 30.300 -0.023 0.000 0.846 246 R HN 0.307 nan 8.270 nan 0.000 0.431 247 R N -0.214 120.271 120.500 -0.024 0.000 2.096 247 R HA -0.073 4.293 4.340 0.043 0.000 0.235 247 R C 2.360 178.734 176.300 0.123 0.000 1.127 247 R CA 1.325 57.407 56.100 -0.029 0.000 0.968 247 R CB -0.329 29.832 30.300 -0.233 0.000 0.861 247 R HN 0.276 nan 8.270 nan 0.000 0.440 248 A N 0.888 123.795 122.820 0.145 0.000 1.873 248 A HA -0.180 4.166 4.320 0.043 0.000 0.215 248 A C 2.344 179.945 177.584 0.029 0.000 1.186 248 A CA 2.028 54.140 52.037 0.125 0.000 0.616 248 A CB -0.990 18.023 19.000 0.021 0.000 0.823 248 A HN 0.484 nan 8.150 nan 0.000 0.442 249 T N -1.883 112.677 114.554 0.010 0.000 2.867 249 T HA -0.115 4.261 4.350 0.043 0.000 0.268 249 T C 1.771 176.476 174.700 0.009 0.000 1.057 249 T CA 1.537 63.634 62.100 -0.005 0.000 1.136 249 T CB -0.413 68.449 68.868 -0.009 0.000 0.874 249 T HN 0.233 nan 8.240 nan 0.000 0.466 250 L N 0.639 121.878 121.223 0.027 0.000 2.056 250 L HA 0.262 4.628 4.340 0.043 0.000 0.207 250 L C 2.303 179.202 176.870 0.049 0.000 1.078 250 L CA 1.518 56.379 54.840 0.034 0.000 0.749 250 L CB -1.175 40.908 42.059 0.040 0.000 0.901 250 L HN 0.387 nan 8.230 nan 0.000 0.433 251 L N -0.198 121.078 121.223 0.089 0.000 2.083 251 L HA -0.066 4.300 4.340 0.043 0.000 0.209 251 L C 2.491 179.370 176.870 0.015 0.000 1.083 251 L CA 1.901 56.799 54.840 0.096 0.000 0.752 251 L CB -0.826 41.331 42.059 0.164 0.000 0.899 251 L HN 0.277 nan 8.230 nan 0.000 0.433 252 A N -0.099 122.717 122.820 -0.008 0.000 1.865 252 A HA -0.244 4.102 4.320 0.043 0.000 0.217 252 A C 2.402 179.971 177.584 -0.024 0.000 1.191 252 A CA 1.978 53.999 52.037 -0.027 0.000 0.623 252 A CB -0.650 18.327 19.000 -0.037 0.000 0.826 252 A HN 0.500 nan 8.150 nan 0.000 0.444 253 R N -0.565 119.923 120.500 -0.020 0.000 2.096 253 R HA -0.117 4.249 4.340 0.043 0.000 0.240 253 R C 2.036 178.301 176.300 -0.058 0.000 1.139 253 R CA 1.568 57.652 56.100 -0.026 0.000 0.952 253 R CB -0.713 29.578 30.300 -0.015 0.000 0.854 253 R HN 0.549 nan 8.270 nan 0.000 0.436 254 L N 0.989 122.157 121.223 -0.091 0.000 2.261 254 L HA -0.101 4.265 4.340 0.043 0.000 0.216 254 L C 1.900 178.571 176.870 -0.332 0.000 1.114 254 L CA 0.765 55.459 54.840 -0.242 0.000 0.777 254 L CB -0.213 41.666 42.059 -0.300 0.000 0.910 254 L HN 0.148 nan 8.230 nan 0.000 0.440 255 V N -4.224 115.606 119.914 -0.140 0.000 3.214 255 V HA 0.534 4.680 4.120 0.043 0.000 0.330 255 V C 1.040 177.132 176.094 -0.004 0.000 1.403 255 V CA 0.144 62.422 62.300 -0.037 0.000 1.143 255 V CB -0.137 31.716 31.823 0.049 0.000 1.098 255 V HN 0.382 nan 8.190 nan 0.000 0.463 256 G N -0.213 108.574 108.800 -0.021 0.000 2.182 256 G HA2 -0.221 3.765 3.960 0.043 0.000 0.248 256 G HA3 -0.221 3.765 3.960 0.043 0.000 0.248 256 G C -0.027 174.874 174.900 0.002 0.000 1.042 256 G CA 0.047 45.145 45.100 -0.003 0.000 0.775 256 G HN 0.750 nan 8.290 nan 0.000 0.501 257 c N 1.174 119.772 118.600 -0.004 0.000 2.507 257 c HA 0.856 5.453 4.570 0.043 0.000 0.319 257 c C -1.309 172.777 174.090 -0.007 0.000 1.208 257 c CA -1.101 55.227 56.329 -0.001 0.000 1.619 257 c CB 2.094 44.604 42.510 0.000 0.000 2.230 257 c HN 0.492 nan 8.230 nan 0.000 0.492 266 D N 1.439 121.833 120.400 -0.009 0.000 2.092 266 D HA -0.112 4.554 4.640 0.043 0.000 0.193 266 D C 1.264 177.557 176.300 -0.010 0.000 0.994 266 D CA 2.087 56.078 54.000 -0.015 0.000 0.828 266 D CB -0.229 40.563 40.800 -0.014 0.000 0.963 266 D HN 0.674 nan 8.370 nan 0.000 0.450 267 T N 1.372 115.926 114.554 0.000 0.000 2.653 267 T HA -0.192 4.184 4.350 0.043 0.000 0.268 267 T C 1.814 176.521 174.700 0.012 0.000 1.035 267 T CA 1.552 63.657 62.100 0.009 0.000 1.154 267 T CB -0.262 68.613 68.868 0.012 0.000 0.862 267 T HN 0.345 nan 8.240 nan 0.000 0.441 268 E N 0.494 120.699 120.200 0.007 0.000 2.107 268 E HA 0.021 4.397 4.350 0.043 0.000 0.191 268 E C 2.248 178.852 176.600 0.006 0.000 0.982 268 E CA 0.533 56.938 56.400 0.009 0.000 0.809 268 E CB -0.240 29.463 29.700 0.006 0.000 0.756 268 E HN 0.366 nan 8.360 nan 0.000 0.459 269 L N 0.930 122.149 121.223 -0.005 0.000 2.017 269 L HA -0.192 4.174 4.340 0.043 0.000 0.208 269 L C 2.252 179.112 176.870 -0.018 0.000 1.073 269 L CA 1.309 56.139 54.840 -0.017 0.000 0.745 269 L CB -0.068 41.971 42.059 -0.034 0.000 0.894 269 L HN 0.126 nan 8.230 nan 0.000 0.432 270 I N -0.244 120.314 120.570 -0.019 0.000 2.315 270 I HA -0.236 3.960 4.170 0.043 0.000 0.248 270 I C 2.713 178.880 176.117 0.083 0.000 1.117 270 I CA 0.985 62.288 61.300 0.005 0.000 1.404 270 I CB -0.505 37.498 38.000 0.004 0.000 1.071 270 I HN 0.298 nan 8.210 nan 0.000 0.419 271 A N -0.310 122.544 122.820 0.056 0.000 1.933 271 A HA -0.285 4.061 4.320 0.043 0.000 0.218 271 A C 2.505 180.125 177.584 0.059 0.000 1.175 271 A CA 1.928 54.000 52.037 0.059 0.000 0.628 271 A CB -1.284 17.738 19.000 0.038 0.000 0.814 271 A HN 0.620 nan 8.150 nan 0.000 0.444 272 c N -0.822 117.805 118.600 0.045 0.000 2.450 272 c HA 0.118 4.714 4.570 0.043 0.000 0.279 272 c C 2.553 176.680 174.090 0.061 0.000 1.335 272 c CA 0.842 57.196 56.329 0.041 0.000 1.749 272 c CB -1.533 40.992 42.510 0.025 0.000 1.963 272 c HN 0.582 nan 8.230 nan 0.000 0.501 273 L N 0.438 121.709 121.223 0.081 0.000 2.083 273 L HA -0.090 4.276 4.340 0.043 0.000 0.209 273 L C 2.924 179.915 176.870 0.203 0.000 1.083 273 L CA 1.449 56.370 54.840 0.134 0.000 0.752 273 L CB -0.592 41.539 42.059 0.119 0.000 0.899 273 L HN 0.324 nan 8.230 nan 0.000 0.433 274 R N -0.635 119.986 120.500 0.201 0.000 2.293 274 R HA -0.115 4.251 4.340 0.043 0.000 0.219 274 R C 2.056 178.383 176.300 0.045 0.000 1.091 274 R CA 1.588 57.750 56.100 0.104 0.000 1.004 274 R CB -0.378 29.970 30.300 0.079 0.000 0.865 274 R HN 0.505 nan 8.270 nan 0.000 0.469 275 T N -1.931 112.654 114.554 0.052 0.000 3.065 275 T HA 0.118 4.494 4.350 0.043 0.000 0.252 275 T C 0.883 175.601 174.700 0.031 0.000 1.099 275 T CA -0.197 61.922 62.100 0.031 0.000 1.063 275 T CB 0.217 69.103 68.868 0.030 0.000 0.948 275 T HN -0.139 nan 8.240 nan 0.000 0.506 276 R N 2.664 123.192 120.500 0.047 0.000 2.390 276 R HA 0.414 4.780 4.340 0.043 0.000 0.291 276 R C -2.677 173.642 176.300 0.033 0.000 1.070 276 R CA -2.540 53.589 56.100 0.048 0.000 1.014 276 R CB -0.004 30.337 30.300 0.069 0.000 1.007 276 R HN 0.252 nan 8.270 nan 0.000 0.466 277 P HA -0.012 nan 4.420 nan 0.000 0.267 277 P C 0.279 177.564 177.300 -0.025 0.000 1.200 277 P CA 0.233 63.321 63.100 -0.020 0.000 0.772 277 P CB 0.617 32.313 31.700 -0.006 0.000 0.855 278 A N 2.630 125.357 122.820 -0.155 0.000 1.917 278 A HA -0.277 4.069 4.320 0.043 0.000 0.219 278 A C 2.125 179.664 177.584 -0.075 0.000 1.182 278 A CA 1.940 53.852 52.037 -0.208 0.000 0.633 278 A CB -1.291 17.087 19.000 -1.038 0.000 0.819 278 A HN 0.550 nan 8.150 nan 0.000 0.448 279 Q N 0.023 119.758 119.800 -0.109 0.000 2.291 279 Q HA -0.157 4.209 4.340 0.043 0.000 0.206 279 Q C 1.124 177.235 176.000 0.185 0.000 0.976 279 Q CA 1.846 57.771 55.803 0.203 0.000 0.875 279 Q CB -0.357 28.511 28.738 0.216 0.000 0.927 279 Q HN 0.649 nan 8.270 nan 0.000 0.450 280 D N -0.835 119.643 120.400 0.130 0.000 2.117 280 D HA -0.127 4.539 4.640 0.043 0.000 0.198 280 D C 1.455 177.862 176.300 0.179 0.000 0.982 280 D CA 0.718 54.806 54.000 0.147 0.000 0.828 280 D CB -0.042 40.841 40.800 0.138 0.000 0.967 280 D HN 0.220 nan 8.370 nan 0.000 0.464 281 L N 0.323 121.640 121.223 0.158 0.000 2.027 281 L HA -0.109 4.258 4.340 0.043 0.000 0.206 281 L C 2.497 179.448 176.870 0.135 0.000 1.074 281 L CA 0.968 55.863 54.840 0.093 0.000 0.745 281 L CB -0.868 41.152 42.059 -0.065 0.000 0.898 281 L HN -0.049 nan 8.230 nan 0.000 0.433 282 V N -0.333 119.743 119.914 0.270 0.000 2.392 282 V HA -0.294 3.852 4.120 0.043 0.000 0.249 282 V C 2.150 178.397 176.094 0.255 0.000 1.059 282 V CA 1.684 64.192 62.300 0.346 0.000 1.051 282 V CB -0.596 31.541 31.823 0.524 0.000 0.658 282 V HN 0.415 nan 8.190 nan 0.000 0.455 283 D N -1.018 119.466 120.400 0.141 0.000 2.182 283 D HA -0.139 4.527 4.640 0.043 0.000 0.201 283 D C 1.817 177.912 176.300 -0.342 0.000 0.986 283 D CA 1.274 55.240 54.000 -0.056 0.000 0.847 283 D CB -0.164 40.529 40.800 -0.177 0.000 0.942 283 D HN 0.534 nan 8.370 nan 0.000 0.467 284 H N -0.481 118.573 119.070 -0.025 0.000 2.755 284 H HA 0.170 4.752 4.556 0.043 0.000 0.273 284 H C 1.497 176.736 175.328 -0.148 0.000 1.055 284 H CA -0.128 55.776 56.048 -0.240 0.000 1.191 284 H CB 0.666 30.420 29.762 -0.013 0.000 1.536 284 H HN 0.273 nan 8.280 nan 0.000 0.529 285 E N 0.629 120.866 120.200 0.062 0.000 2.065 285 E HA -0.221 4.155 4.350 0.043 0.000 0.201 285 E C 0.943 177.527 176.600 -0.026 0.000 1.016 285 E CA 1.497 57.948 56.400 0.084 0.000 0.818 285 E CB 0.015 29.675 29.700 -0.066 0.000 0.749 285 E HN 0.458 nan 8.360 nan 0.000 0.453 286 W N -0.436 120.825 121.300 -0.065 0.000 2.800 286 W HA -0.011 4.675 4.660 0.043 0.000 0.249 286 W C 1.635 178.221 176.519 0.112 0.000 1.294 286 W CA 0.537 57.859 57.345 -0.037 0.000 1.402 286 W CB -0.143 29.256 29.460 -0.102 0.000 1.126 286 W HN 0.275 nan 8.180 nan 0.000 0.652 287 H N -0.520 118.716 119.070 0.277 0.000 2.556 287 H HA -0.013 4.569 4.556 0.043 0.000 0.268 287 H C 1.877 177.279 175.328 0.123 0.000 0.996 287 H CA 0.821 56.989 56.048 0.200 0.000 1.157 287 H CB 0.114 30.015 29.762 0.232 0.000 1.355 287 H HN 0.148 nan 8.280 nan 0.000 0.597 288 V N -1.623 118.400 119.914 0.180 0.000 3.647 288 V HA 0.156 4.303 4.120 0.043 0.000 0.279 288 V C 0.614 176.704 176.094 -0.007 0.000 1.314 288 V CA -0.121 62.217 62.300 0.064 0.000 1.125 288 V CB -0.429 31.395 31.823 0.003 0.000 0.907 288 V HN 0.126 nan 8.190 nan 0.000 0.434 289 L N 2.517 123.752 121.223 0.019 0.000 2.490 289 L HA 0.223 4.589 4.340 0.043 0.000 0.274 289 L C -0.336 176.540 176.870 0.011 0.000 1.201 289 L CA -0.886 53.951 54.840 -0.004 0.000 0.869 289 L CB 0.755 42.842 42.059 0.047 0.000 1.123 289 L HN 0.157 nan 8.230 nan 0.000 0.484 290 P HA -0.051 nan 4.420 nan 0.000 0.229 290 P C -0.257 177.049 177.300 0.010 0.000 1.160 290 P CA 0.878 63.977 63.100 -0.001 0.000 0.777 290 P CB 0.581 32.272 31.700 -0.014 0.000 0.814 291 Q N -1.271 118.538 119.800 0.016 0.000 2.565 291 Q HA 0.318 4.684 4.340 0.043 0.000 0.294 291 Q C -0.776 175.243 176.000 0.031 0.000 1.005 291 Q CA -0.739 55.076 55.803 0.020 0.000 0.771 291 Q CB 1.433 30.179 28.738 0.013 0.000 1.486 291 Q HN -0.082 nan 8.270 nan 0.000 0.422 292 E N 0.964 121.181 120.200 0.030 0.000 2.324 292 E HA 0.374 4.750 4.350 0.043 0.000 0.271 292 E C -0.973 175.647 176.600 0.034 0.000 1.028 292 E CA 0.146 56.567 56.400 0.035 0.000 0.890 292 E CB 0.378 30.096 29.700 0.028 0.000 1.004 292 E HN 0.598 nan 8.360 nan 0.000 0.431 293 S N 3.784 119.509 115.700 0.041 0.000 2.661 293 S HA 0.646 5.142 4.470 0.043 0.000 0.268 293 S C -0.563 174.062 174.600 0.041 0.000 1.162 293 S CA -0.989 57.232 58.200 0.035 0.000 0.817 293 S CB 0.623 63.835 63.200 0.019 0.000 1.141 293 S HN 0.569 nan 8.310 nan 0.000 0.477 294 I N -3.523 117.068 120.570 0.035 0.000 2.969 294 I HA 0.791 4.987 4.170 0.043 0.000 0.307 294 I C -0.394 175.713 176.117 -0.017 0.000 1.149 294 I CA -1.179 60.154 61.300 0.055 0.000 1.008 294 I CB 1.453 39.527 38.000 0.124 0.000 1.232 294 I HN 0.776 nan 8.210 nan 0.000 0.435 295 F N 1.614 121.387 119.950 -0.294 0.000 3.091 295 F HA -0.182 4.371 4.527 0.043 0.000 0.288 295 F C -0.308 174.912 175.800 -0.966 0.000 0.907 295 F CA 0.681 58.221 58.000 -0.766 0.000 1.028 295 F CB -0.606 37.858 39.000 -0.893 0.000 1.022 295 F HN 0.599 nan 8.300 nan 0.000 0.665 296 R N 0.357 120.371 120.500 -0.809 0.000 2.621 296 R HA 0.632 4.998 4.340 0.043 0.000 0.284 296 R C -1.098 174.721 176.300 -0.801 0.000 0.998 296 R CA -0.559 55.147 56.100 -0.657 0.000 0.895 296 R CB 1.392 31.569 30.300 -0.204 0.000 1.195 296 R HN -0.014 nan 8.270 nan 0.000 0.450 297 F N -0.583 119.418 119.950 0.084 0.000 2.556 297 F HA 0.335 4.888 4.527 0.043 0.000 0.314 297 F C 1.483 177.167 175.800 -0.195 0.000 1.106 297 F CA -0.832 57.122 58.000 -0.077 0.000 0.911 297 F CB 1.895 40.968 39.000 0.122 0.000 1.190 297 F HN 0.362 nan 8.300 nan 0.000 0.448 298 S N 0.909 116.454 115.700 -0.258 0.000 2.356 298 S HA -0.073 4.423 4.470 0.043 0.000 0.223 298 S C 0.030 174.146 174.600 -0.806 0.000 1.032 298 S CA 1.287 59.154 58.200 -0.555 0.000 1.005 298 S CB -0.262 62.520 63.200 -0.698 0.000 0.867 298 S HN 0.367 nan 8.310 nan 0.000 0.449 299 F N 1.402 121.356 119.950 0.006 0.000 2.434 299 F HA 0.571 5.124 4.527 0.044 0.000 0.355 299 F C 0.006 175.813 175.800 0.011 0.000 1.115 299 F CA -0.999 57.035 58.000 0.056 0.000 1.010 299 F CB 1.387 40.456 39.000 0.114 0.000 1.234 299 F HN -0.081 nan 8.300 nan 0.000 0.439 300 V N 0.753 120.609 119.914 -0.096 0.000 3.156 300 V HA 0.776 4.922 4.120 0.043 0.000 0.311 300 V C -2.912 172.786 176.094 -0.661 0.000 1.208 300 V CA -3.320 58.587 62.300 -0.655 0.000 1.063 300 V CB 2.018 33.618 31.823 -0.370 0.000 1.098 300 V HN 0.258 nan 8.190 nan 0.000 0.452 301 P HA 0.194 nan 4.420 nan 0.000 0.266 301 P C -0.827 176.330 177.300 -0.238 0.000 1.193 301 P CA 0.437 63.242 63.100 -0.492 0.000 0.770 301 P CB 0.606 31.933 31.700 -0.622 0.000 0.836 302 V N 4.394 124.252 119.914 -0.094 0.000 2.604 302 V HA 0.261 4.407 4.120 0.043 0.000 0.305 302 V C -0.461 175.614 176.094 -0.032 0.000 1.043 302 V CA -0.928 61.338 62.300 -0.055 0.000 0.888 302 V CB 2.208 34.028 31.823 -0.005 0.000 0.995 302 V HN 0.131 nan 8.190 nan 0.000 0.429 303 V N 7.411 127.305 119.914 -0.034 0.000 2.341 303 V HA 0.166 4.312 4.120 0.043 0.000 0.248 303 V C 0.911 177.009 176.094 0.007 0.000 1.107 303 V CA 0.406 62.700 62.300 -0.010 0.000 1.069 303 V CB 0.077 31.886 31.823 -0.024 0.000 1.177 303 V HN 1.054 nan 8.190 nan 0.000 0.492 304 D N 2.784 123.203 120.400 0.033 0.000 2.354 304 D HA 0.100 4.766 4.640 0.043 0.000 0.209 304 D C 1.549 177.871 176.300 0.037 0.000 1.015 304 D CA 0.755 54.778 54.000 0.038 0.000 0.867 304 D CB 0.364 41.201 40.800 0.061 0.000 0.933 304 D HN 0.691 nan 8.370 nan 0.000 0.520 305 G N 0.573 109.395 108.800 0.037 0.000 2.148 305 G HA2 -0.309 3.677 3.960 0.043 0.000 0.254 305 G HA3 -0.309 3.677 3.960 0.043 0.000 0.254 305 G C 0.395 175.314 174.900 0.032 0.000 0.981 305 G CA 0.684 45.799 45.100 0.025 0.000 0.670 305 G HN 0.532 nan 8.290 nan 0.000 0.528 306 D N -1.521 118.914 120.400 0.058 0.000 3.028 306 D HA 0.227 4.893 4.640 0.043 0.000 0.205 306 D C 1.752 178.096 176.300 0.072 0.000 1.489 306 D CA 0.370 54.406 54.000 0.061 0.000 1.452 306 D CB -0.581 40.268 40.800 0.081 0.000 1.052 306 D HN 0.091 nan 8.370 nan 0.000 0.221 307 F N 1.395 121.350 119.950 0.009 0.000 2.095 307 F HA 0.124 4.677 4.527 0.043 0.000 0.298 307 F C 0.694 176.492 175.800 -0.003 0.000 1.104 307 F CA 1.244 59.249 58.000 0.008 0.000 1.232 307 F CB 0.120 39.123 39.000 0.004 0.000 0.987 307 F HN -0.021 nan 8.300 nan 0.000 0.475 308 L N 0.986 122.363 121.223 0.256 0.000 2.283 308 L HA 0.180 4.546 4.340 0.043 0.000 0.281 308 L C 1.458 178.365 176.870 0.062 0.000 1.033 308 L CA -0.153 54.772 54.840 0.143 0.000 0.848 308 L CB 1.235 43.371 42.059 0.129 0.000 1.226 308 L HN 0.124 nan 8.230 nan 0.000 0.429 309 S N 0.781 116.495 115.700 0.023 0.000 2.419 309 S HA -0.071 4.425 4.470 0.043 0.000 0.233 309 S C 0.554 175.158 174.600 0.007 0.000 1.016 309 S CA 0.768 58.972 58.200 0.007 0.000 0.974 309 S CB 0.192 63.386 63.200 -0.011 0.000 0.786 309 S HN 0.708 nan 8.310 nan 0.000 0.492 310 D N -0.083 120.323 120.400 0.009 0.000 2.812 310 D HA 0.318 4.984 4.640 0.043 0.000 0.318 310 D C -0.802 175.498 176.300 -0.001 0.000 1.234 310 D CA 0.093 54.094 54.000 0.001 0.000 0.989 310 D CB 1.460 42.258 40.800 -0.003 0.000 1.442 310 D HN 0.283 nan 8.370 nan 0.000 0.537 311 T N -1.125 113.422 114.554 -0.012 0.000 2.900 311 T HA 0.270 4.646 4.350 0.043 0.000 0.307 311 T C -1.862 172.826 174.700 -0.020 0.000 1.065 311 T CA -0.817 61.268 62.100 -0.026 0.000 1.105 311 T CB 1.171 70.017 68.868 -0.036 0.000 0.979 311 T HN 0.082 nan 8.240 nan 0.000 0.544 312 P HA -0.090 nan 4.420 nan 0.000 0.216 312 P C 1.519 178.807 177.300 -0.019 0.000 1.150 312 P CA 0.861 63.942 63.100 -0.031 0.000 0.837 312 P CB 0.107 31.758 31.700 -0.083 0.000 0.786 313 E N -0.198 119.979 120.200 -0.037 0.000 2.038 313 E HA -0.180 4.196 4.350 0.043 0.000 0.195 313 E C 2.060 178.660 176.600 0.001 0.000 1.000 313 E CA 1.734 58.118 56.400 -0.026 0.000 0.803 313 E CB -1.174 28.503 29.700 -0.038 0.000 0.750 313 E HN 0.052 nan 8.360 nan 0.000 0.448 314 A N 0.184 123.003 122.820 -0.002 0.000 1.902 314 A HA -0.151 4.195 4.320 0.043 0.000 0.217 314 A C 2.307 179.905 177.584 0.023 0.000 1.181 314 A CA 1.487 53.528 52.037 0.006 0.000 0.623 314 A CB -0.705 18.293 19.000 -0.004 0.000 0.818 314 A HN 0.311 nan 8.150 nan 0.000 0.443 315 L N -0.174 121.071 121.223 0.036 0.000 2.156 315 L HA -0.115 4.251 4.340 0.043 0.000 0.208 315 L C 2.561 179.526 176.870 0.158 0.000 1.095 315 L CA 1.386 56.267 54.840 0.069 0.000 0.770 315 L CB -0.617 41.487 42.059 0.076 0.000 0.914 315 L HN 0.665 nan 8.230 nan 0.000 0.439 316 I N -2.979 117.688 120.570 0.162 0.000 2.500 316 I HA -0.114 4.082 4.170 0.043 0.000 0.252 316 I C 2.014 178.262 176.117 0.220 0.000 1.142 316 I CA 1.202 62.653 61.300 0.252 0.000 1.451 316 I CB -0.444 37.607 38.000 0.085 0.000 1.093 316 I HN 0.141 nan 8.210 nan 0.000 0.430 317 N N 1.383 120.147 118.700 0.108 0.000 2.244 317 N HA -0.119 4.647 4.740 0.043 0.000 0.183 317 N C 1.883 177.424 175.510 0.052 0.000 1.016 317 N CA 2.160 55.254 53.050 0.073 0.000 0.866 317 N CB -0.406 38.103 38.487 0.037 0.000 0.980 317 N HN 0.671 nan 8.380 nan 0.000 0.430 318 T N -3.273 111.298 114.554 0.027 0.000 3.054 318 T HA 0.334 4.710 4.350 0.043 0.000 0.255 318 T C 0.854 175.490 174.700 -0.106 0.000 1.035 318 T CA -0.449 61.635 62.100 -0.027 0.000 0.941 318 T CB 0.022 68.872 68.868 -0.030 0.000 1.026 318 T HN 0.044 nan 8.240 nan 0.000 0.533 319 G N 0.740 109.441 108.800 -0.164 0.000 2.537 319 G HA2 0.465 4.451 3.960 0.043 0.000 0.273 319 G HA3 0.465 4.451 3.960 0.043 0.000 0.273 319 G C -1.288 173.156 174.900 -0.759 0.000 1.189 319 G CA -0.560 44.207 45.100 -0.555 0.000 0.881 319 G HN 0.378 nan 8.290 nan 0.000 0.535 320 D N -0.560 119.355 120.400 -0.809 0.000 2.381 320 D HA 0.439 5.105 4.640 0.043 0.000 0.235 320 D C -0.552 175.373 176.300 -0.624 0.000 1.068 320 D CA -0.677 53.014 54.000 -0.514 0.000 0.832 320 D CB 0.763 41.408 40.800 -0.257 0.000 1.101 320 D HN 0.093 nan 8.370 nan 0.000 0.515 321 F N 1.627 121.577 119.950 -0.001 0.000 2.855 321 F HA 0.278 4.831 4.527 0.044 0.000 0.317 321 F C 0.969 176.770 175.800 0.001 0.000 1.169 321 F CA -0.611 57.390 58.000 0.002 0.000 1.299 321 F CB -0.133 38.877 39.000 0.016 0.000 0.962 321 F HN 0.231 nan 8.300 nan 0.000 0.506 322 Q N 0.584 120.442 119.800 0.096 0.000 2.421 322 Q HA 0.019 4.385 4.340 0.043 0.000 0.255 322 Q C 0.367 176.401 176.000 0.058 0.000 1.013 322 Q CA 0.488 56.330 55.803 0.064 0.000 0.895 322 Q CB 0.357 29.107 28.738 0.020 0.000 1.271 322 Q HN 0.278 nan 8.270 nan 0.000 0.460 323 D N -0.280 120.147 120.400 0.046 0.000 3.076 323 D HA -0.204 4.462 4.640 0.043 0.000 0.218 323 D C -0.898 175.427 176.300 0.041 0.000 1.156 323 D CA 0.774 54.793 54.000 0.032 0.000 0.921 323 D CB -0.812 39.995 40.800 0.011 0.000 1.113 323 D HN 0.214 nan 8.370 nan 0.000 0.418 324 L N 0.641 121.909 121.223 0.076 0.000 2.346 324 L HA 0.470 4.836 4.340 0.043 0.000 0.276 324 L C -0.664 176.269 176.870 0.105 0.000 1.006 324 L CA -0.329 54.564 54.840 0.088 0.000 0.817 324 L CB 1.868 44.008 42.059 0.135 0.000 1.272 324 L HN -0.187 nan 8.230 nan 0.000 0.421 325 Q N 3.343 123.220 119.800 0.127 0.000 2.312 325 Q HA 0.803 5.169 4.340 0.043 0.000 0.263 325 Q C -1.404 174.816 176.000 0.366 0.000 0.995 325 Q CA -0.506 55.424 55.803 0.212 0.000 0.853 325 Q CB 2.620 31.454 28.738 0.160 0.000 1.300 325 Q HN 0.515 nan 8.270 nan 0.000 0.448 326 V N 2.295 122.412 119.914 0.339 0.000 2.760 326 V HA 0.508 4.654 4.120 0.043 0.000 0.309 326 V C -1.501 174.575 176.094 -0.029 0.000 1.077 326 V CA -0.899 61.531 62.300 0.217 0.000 0.910 326 V CB 2.018 33.872 31.823 0.052 0.000 1.008 326 V HN 0.620 nan 8.190 nan 0.000 0.424 327 L N 6.584 127.586 121.223 -0.368 0.000 2.325 327 L HA 0.907 5.273 4.340 0.043 0.000 0.281 327 L C -0.510 176.226 176.870 -0.223 0.000 1.004 327 L CA -0.177 54.322 54.840 -0.568 0.000 0.823 327 L CB 1.610 42.836 42.059 -1.388 0.000 1.236 327 L HN 0.635 nan 8.230 nan 0.000 0.415 328 V N 2.008 121.855 119.914 -0.112 0.000 2.962 328 V HA 1.128 5.274 4.120 0.043 0.000 0.313 328 V C -0.202 175.675 176.094 -0.361 0.000 1.099 328 V CA 0.179 62.400 62.300 -0.132 0.000 0.971 328 V CB 1.234 32.956 31.823 -0.169 0.000 1.028 328 V HN 1.075 nan 8.190 nan 0.000 0.430 329 G N 0.815 109.276 108.800 -0.565 0.000 2.559 329 G HA2 0.803 4.789 3.960 0.043 0.000 0.291 329 G HA3 0.803 4.789 3.960 0.043 0.000 0.291 329 G C -1.208 173.406 174.900 -0.476 0.000 1.424 329 G CA 0.016 44.372 45.100 -1.239 0.000 0.786 329 G HN 2.058 nan 8.290 nan 0.000 0.485 330 V N -2.392 117.373 119.914 -0.249 0.000 3.181 330 V HA 0.920 5.066 4.120 0.043 0.000 0.308 330 V C 0.251 176.532 176.094 0.311 0.000 1.214 330 V CA -0.521 61.836 62.300 0.095 0.000 1.053 330 V CB 1.137 32.996 31.823 0.060 0.000 1.069 330 V HN 1.743 nan 8.190 nan 0.000 0.441 331 V N -0.564 119.552 119.914 0.337 0.000 3.109 331 V HA 0.567 4.713 4.120 0.043 0.000 0.317 331 V C 1.432 177.723 176.094 0.329 0.000 1.074 331 V CA -0.002 62.549 62.300 0.419 0.000 1.033 331 V CB 1.227 33.281 31.823 0.385 0.000 1.111 331 V HN 1.087 nan 8.190 nan 0.000 0.458 332 K N -0.126 120.468 120.400 0.322 0.000 2.152 332 K HA -0.086 4.260 4.320 0.043 0.000 0.206 332 K C 0.281 177.010 176.600 0.215 0.000 1.048 332 K CA 1.910 58.340 56.287 0.238 0.000 0.933 332 K CB 0.064 32.682 32.500 0.197 0.000 0.721 332 K HN 0.912 nan 8.250 nan 0.000 0.447 333 D N 0.953 121.490 120.400 0.229 0.000 2.613 333 D HA 0.026 4.692 4.640 0.043 0.000 0.312 333 D C 0.021 176.469 176.300 0.247 0.000 1.202 333 D CA -0.110 54.017 54.000 0.213 0.000 0.825 333 D CB 1.282 42.187 40.800 0.175 0.000 1.113 333 D HN 0.121 nan 8.370 nan 0.000 0.502 334 E N 0.619 120.978 120.200 0.264 0.000 2.171 334 E HA -0.153 4.223 4.350 0.043 0.000 0.197 334 E C 1.935 178.749 176.600 0.356 0.000 0.997 334 E CA 0.938 57.531 56.400 0.322 0.000 0.810 334 E CB 0.123 29.973 29.700 0.250 0.000 0.738 334 E HN 0.467 nan 8.360 nan 0.000 0.467 335 G N 0.880 109.850 108.800 0.284 0.000 2.603 335 G HA2 -0.162 3.824 3.960 0.043 0.000 0.214 335 G HA3 -0.162 3.824 3.960 0.043 0.000 0.214 335 G C 1.705 176.805 174.900 0.334 0.000 1.140 335 G CA 0.808 46.099 45.100 0.319 0.000 0.800 335 G HN 0.372 nan 8.290 nan 0.000 0.533 336 S N 0.346 116.194 115.700 0.247 0.000 2.372 336 S HA -0.318 4.178 4.470 0.043 0.000 0.227 336 S C 2.135 176.760 174.600 0.042 0.000 1.044 336 S CA 1.555 59.854 58.200 0.165 0.000 1.050 336 S CB -0.855 62.344 63.200 -0.002 0.000 0.901 336 S HN 0.404 nan 8.310 nan 0.000 0.447 337 Y N 1.816 122.010 120.300 -0.178 0.000 2.193 337 Y HA -0.120 4.456 4.550 0.043 0.000 0.285 337 Y C 1.706 177.403 175.900 -0.338 0.000 1.166 337 Y CA 1.703 59.539 58.100 -0.441 0.000 1.181 337 Y CB -0.505 37.589 38.460 -0.610 0.000 0.976 337 Y HN 0.314 nan 8.280 nan 0.000 0.520 338 F N -1.220 118.766 119.950 0.061 0.000 2.710 338 F HA -0.028 4.524 4.527 0.042 0.000 0.298 338 F C 1.858 177.687 175.800 0.049 0.000 1.137 338 F CA 0.414 58.429 58.000 0.024 0.000 1.444 338 F CB -0.399 38.574 39.000 -0.046 0.000 1.111 338 F HN 0.005 nan 8.300 nan 0.000 0.580 339 L N -0.123 121.174 121.223 0.123 0.000 2.044 339 L HA -0.134 4.232 4.340 0.043 0.000 0.205 339 L C 2.586 179.493 176.870 0.061 0.000 1.075 339 L CA 1.172 55.961 54.840 -0.085 0.000 0.747 339 L CB -0.873 40.890 42.059 -0.494 0.000 0.903 339 L HN 0.154 nan 8.230 nan 0.000 0.435 340 V N -3.971 116.048 119.914 0.175 0.000 2.867 340 V HA -0.258 3.889 4.120 0.043 0.000 0.260 340 V C 1.607 177.710 176.094 0.014 0.000 1.099 340 V CA 1.218 63.635 62.300 0.196 0.000 1.122 340 V CB -1.277 30.683 31.823 0.230 0.000 0.708 340 V HN 0.326 nan 8.190 nan 0.000 0.490 341 Y N 1.852 122.155 120.300 0.004 0.000 2.496 341 Y HA 0.562 5.137 4.550 0.043 0.000 0.313 341 Y C 1.780 177.668 175.900 -0.021 0.000 1.184 341 Y CA 0.543 58.623 58.100 -0.034 0.000 1.275 341 Y CB 0.320 38.735 38.460 -0.076 0.000 1.103 341 Y HN 0.467 nan 8.280 nan 0.000 0.513 342 G N -1.532 107.331 108.800 0.106 0.000 3.987 342 G HA2 -0.060 3.926 3.960 0.043 0.000 0.220 342 G HA3 -0.060 3.926 3.960 0.043 0.000 0.220 342 G C -0.826 174.128 174.900 0.090 0.000 0.871 342 G CA -0.431 44.717 45.100 0.079 0.000 0.881 342 G HN -0.044 nan 8.290 nan 0.000 0.674 343 V N 2.492 122.480 119.914 0.123 0.000 2.350 343 V HA 0.438 4.584 4.120 0.043 0.000 0.276 343 V C -2.073 174.194 176.094 0.289 0.000 1.028 343 V CA -1.757 60.653 62.300 0.183 0.000 0.860 343 V CB 1.518 33.422 31.823 0.135 0.000 0.990 343 V HN 0.033 nan 8.190 nan 0.000 0.453 344 P HA 0.250 nan 4.420 nan 0.000 0.262 344 P C 0.987 178.365 177.300 0.131 0.000 1.182 344 P CA 1.356 64.536 63.100 0.133 0.000 0.761 344 P CB 0.637 32.384 31.700 0.079 0.000 0.795 345 G N 1.662 110.485 108.800 0.038 0.000 2.253 345 G HA2 -0.198 3.788 3.960 0.043 0.000 0.209 345 G HA3 -0.198 3.788 3.960 0.043 0.000 0.209 345 G C -0.165 174.548 174.900 -0.311 0.000 0.997 345 G CA -0.631 44.371 45.100 -0.163 0.000 0.640 345 G HN 0.394 nan 8.290 nan 0.000 0.496 346 F N 1.557 121.495 119.950 -0.021 0.000 2.422 346 F HA 0.810 5.362 4.527 0.043 0.000 0.333 346 F C 0.619 176.478 175.800 0.098 0.000 1.095 346 F CA -0.082 57.910 58.000 -0.014 0.000 1.038 346 F CB 2.253 41.285 39.000 0.054 0.000 1.156 346 F HN 0.187 nan 8.300 nan 0.000 0.483 347 S N 1.193 117.100 115.700 0.346 0.000 2.547 347 S HA 0.287 4.783 4.470 0.043 0.000 0.270 347 S C 0.099 174.979 174.600 0.468 0.000 1.150 347 S CA -0.874 57.532 58.200 0.343 0.000 0.850 347 S CB 1.404 64.715 63.200 0.184 0.000 1.118 347 S HN 0.755 nan 8.310 nan 0.000 0.461 348 K N 1.043 121.632 120.400 0.316 0.000 2.418 348 K HA 0.182 4.528 4.320 0.043 0.000 0.195 348 K C 0.160 176.806 176.600 0.077 0.000 1.035 348 K CA 0.935 57.329 56.287 0.178 0.000 1.003 348 K CB -0.024 32.329 32.500 -0.244 0.000 0.793 348 K HN 0.438 nan 8.250 nan 0.000 0.494 349 D N 0.859 121.306 120.400 0.077 0.000 2.367 349 D HA 0.008 4.674 4.640 0.043 0.000 0.207 349 D C -0.265 176.078 176.300 0.071 0.000 1.034 349 D CA 0.298 54.313 54.000 0.025 0.000 0.861 349 D CB 0.191 40.980 40.800 -0.018 0.000 0.943 349 D HN 0.468 nan 8.370 nan 0.000 0.515 350 N N -0.758 118.015 118.700 0.121 0.000 2.761 350 N HA 0.094 4.860 4.740 0.043 0.000 0.283 350 N C 0.560 176.118 175.510 0.080 0.000 1.377 350 N CA -0.518 52.572 53.050 0.066 0.000 0.791 350 N CB 0.821 39.304 38.487 -0.008 0.000 1.540 350 N HN -0.418 nan 8.380 nan 0.000 0.539 351 E N -0.358 119.831 120.200 -0.019 0.000 2.401 351 E HA -0.052 4.324 4.350 0.043 0.000 0.199 351 E C -0.355 175.949 176.600 -0.494 0.000 1.023 351 E CA 0.644 56.977 56.400 -0.112 0.000 0.859 351 E CB -0.642 29.010 29.700 -0.080 0.000 0.780 351 E HN 0.612 nan 8.360 nan 0.000 0.523 352 S N -0.107 115.302 115.700 -0.483 0.000 3.682 352 S HA -0.193 4.303 4.470 0.043 0.000 0.354 352 S C 0.278 174.456 174.600 -0.704 0.000 1.034 352 S CA 0.180 57.944 58.200 -0.727 0.000 1.084 352 S CB -1.920 60.550 63.200 -1.215 0.000 0.903 352 S HN 0.279 nan 8.310 nan 0.000 0.470 353 L N 1.841 122.807 121.223 -0.429 0.000 2.369 353 L HA 0.437 4.803 4.340 0.043 0.000 0.279 353 L C 0.797 177.471 176.870 -0.326 0.000 1.108 353 L CA -0.146 54.502 54.840 -0.321 0.000 0.852 353 L CB 0.087 42.029 42.059 -0.195 0.000 1.169 353 L HN 0.444 nan 8.230 nan 0.000 0.452 354 I N 0.228 120.594 120.570 -0.340 0.000 2.822 354 I HA 0.629 4.825 4.170 0.043 0.000 0.312 354 I C 0.580 176.620 176.117 -0.129 0.000 1.011 354 I CA -0.621 60.517 61.300 -0.270 0.000 1.105 354 I CB 1.864 39.666 38.000 -0.331 0.000 1.291 354 I HN 0.560 nan 8.210 nan 0.000 0.474 355 S N 2.504 118.160 115.700 -0.073 0.000 2.669 355 S HA 0.352 4.848 4.470 0.043 0.000 0.270 355 S C 0.902 175.528 174.600 0.043 0.000 1.225 355 S CA -0.546 57.641 58.200 -0.021 0.000 0.991 355 S CB 1.579 64.773 63.200 -0.011 0.000 0.987 355 S HN 0.874 nan 8.310 nan 0.000 0.552 356 R N 0.391 120.924 120.500 0.055 0.000 2.115 356 R HA -0.020 4.346 4.340 0.043 0.000 0.230 356 R C 2.267 178.664 176.300 0.162 0.000 1.111 356 R CA 1.310 57.488 56.100 0.129 0.000 0.976 356 R CB -0.988 29.362 30.300 0.083 0.000 0.870 356 R HN 0.835 nan 8.270 nan 0.000 0.445 357 A N 0.650 123.525 122.820 0.092 0.000 1.902 357 A HA -0.201 4.145 4.320 0.043 0.000 0.217 357 A C 1.993 179.623 177.584 0.076 0.000 1.181 357 A CA 1.387 53.466 52.037 0.070 0.000 0.623 357 A CB -0.423 18.602 19.000 0.042 0.000 0.818 357 A HN 0.477 nan 8.150 nan 0.000 0.443 358 Q N -1.843 118.008 119.800 0.085 0.000 2.167 358 Q HA -0.115 4.251 4.340 0.043 0.000 0.202 358 Q C 1.898 178.002 176.000 0.174 0.000 0.970 358 Q CA 1.427 57.287 55.803 0.096 0.000 0.855 358 Q CB -0.272 28.493 28.738 0.044 0.000 0.911 358 Q HN 0.814 nan 8.270 nan 0.000 0.438 359 F N 1.053 121.035 119.950 0.054 0.000 2.113 359 F HA -0.209 4.348 4.527 0.049 0.000 0.297 359 F C 1.827 177.672 175.800 0.075 0.000 1.103 359 F CA 0.860 58.909 58.000 0.081 0.000 1.248 359 F CB 0.099 39.130 39.000 0.052 0.000 0.999 359 F HN -0.023 nan 8.300 nan 0.000 0.475 360 L N 0.298 121.436 121.223 -0.142 0.000 2.083 360 L HA -0.212 4.154 4.340 0.043 0.000 0.209 360 L C 2.815 179.602 176.870 -0.138 0.000 1.083 360 L CA 1.503 56.212 54.840 -0.217 0.000 0.752 360 L CB -1.790 40.236 42.059 -0.055 0.000 0.899 360 L HN 0.329 nan 8.230 nan 0.000 0.433 361 A N 0.381 123.175 122.820 -0.043 0.000 1.873 361 A HA -0.088 4.258 4.320 0.043 0.000 0.215 361 A C 2.433 180.014 177.584 -0.006 0.000 1.186 361 A CA 1.598 53.631 52.037 -0.007 0.000 0.616 361 A CB -1.135 17.884 19.000 0.031 0.000 0.823 361 A HN 0.416 nan 8.150 nan 0.000 0.442 362 G N -0.520 108.293 108.800 0.022 0.000 2.442 362 G HA2 -0.147 3.839 3.960 0.043 0.000 0.219 362 G HA3 -0.147 3.839 3.960 0.043 0.000 0.219 362 G C 1.482 176.362 174.900 -0.032 0.000 1.141 362 G CA 1.276 46.405 45.100 0.049 0.000 0.763 362 G HN 0.326 nan 8.290 nan 0.000 0.554 363 V N 0.918 120.742 119.914 -0.151 0.000 2.407 363 V HA -0.134 4.012 4.120 0.043 0.000 0.248 363 V C 2.963 179.015 176.094 -0.071 0.000 1.055 363 V CA 1.646 63.852 62.300 -0.157 0.000 1.049 363 V CB -0.368 31.274 31.823 -0.302 0.000 0.662 363 V HN 0.238 nan 8.190 nan 0.000 0.455 364 R N -0.125 120.341 120.500 -0.057 0.000 2.115 364 R HA 0.036 4.402 4.340 0.043 0.000 0.230 364 R C 2.043 178.341 176.300 -0.004 0.000 1.111 364 R CA 1.324 57.409 56.100 -0.024 0.000 0.976 364 R CB -0.760 29.530 30.300 -0.017 0.000 0.870 364 R HN 0.474 nan 8.270 nan 0.000 0.445 365 I N -0.415 120.157 120.570 0.003 0.000 2.333 365 I HA -0.066 4.130 4.170 0.043 0.000 0.246 365 I C 2.270 178.402 176.117 0.025 0.000 1.106 365 I CA 1.343 62.655 61.300 0.020 0.000 1.411 365 I CB -0.499 37.521 38.000 0.033 0.000 1.082 365 I HN 0.183 nan 8.210 nan 0.000 0.420 366 G N 0.327 109.138 108.800 0.018 0.000 2.484 366 G HA2 -0.022 3.964 3.960 0.043 0.000 0.218 366 G HA3 -0.022 3.964 3.960 0.043 0.000 0.218 366 G C 0.832 175.758 174.900 0.043 0.000 1.130 366 G CA 0.402 45.520 45.100 0.030 0.000 0.784 366 G HN 0.247 nan 8.290 nan 0.000 0.543 367 V N 2.057 121.973 119.914 0.004 0.000 2.405 367 V HA 0.205 4.351 4.120 0.043 0.000 0.253 367 V C -1.305 174.791 176.094 0.004 0.000 0.963 367 V CA -1.022 61.251 62.300 -0.046 0.000 1.003 367 V CB 1.523 33.285 31.823 -0.102 0.000 1.251 367 V HN 0.076 nan 8.190 nan 0.000 0.520 368 P HA -0.197 nan 4.420 nan 0.000 0.218 368 P C 0.791 178.103 177.300 0.021 0.000 1.146 368 P CA 1.339 64.454 63.100 0.025 0.000 0.813 368 P CB 0.403 32.120 31.700 0.027 0.000 0.778 369 Q N -0.829 118.991 119.800 0.033 0.000 2.320 369 Q HA 0.332 4.698 4.340 0.043 0.000 0.201 369 Q C 0.869 176.873 176.000 0.007 0.000 0.910 369 Q CA -0.174 55.641 55.803 0.020 0.000 0.946 369 Q CB -0.132 28.623 28.738 0.029 0.000 1.062 369 Q HN 0.139 nan 8.270 nan 0.000 0.503 370 A N 2.009 124.830 122.820 0.002 0.000 2.409 370 A HA 0.397 4.743 4.320 0.043 0.000 0.262 370 A C 0.670 178.248 177.584 -0.010 0.000 1.113 370 A CA -0.273 51.759 52.037 -0.009 0.000 0.790 370 A CB 0.394 19.389 19.000 -0.009 0.000 1.046 370 A HN 0.344 nan 8.150 nan 0.000 0.496 371 S N 1.808 117.498 115.700 -0.017 0.000 2.617 371 S HA 0.102 4.598 4.470 0.043 0.000 0.259 371 S C 0.467 175.064 174.600 -0.004 0.000 1.301 371 S CA 0.039 58.231 58.200 -0.013 0.000 0.984 371 S CB 0.446 63.634 63.200 -0.021 0.000 0.954 371 S HN 0.653 nan 8.310 nan 0.000 0.572 372 D N 0.005 120.406 120.400 0.001 0.000 2.117 372 D HA -0.098 4.568 4.640 0.043 0.000 0.197 372 D C 1.799 178.111 176.300 0.020 0.000 0.987 372 D CA 0.947 54.952 54.000 0.009 0.000 0.829 372 D CB -0.311 40.495 40.800 0.011 0.000 0.961 372 D HN 0.413 nan 8.370 nan 0.000 0.460 373 L N 1.277 122.511 121.223 0.019 0.000 2.017 373 L HA -0.069 4.297 4.340 0.043 0.000 0.208 373 L C 2.248 179.149 176.870 0.051 0.000 1.073 373 L CA 1.697 56.559 54.840 0.036 0.000 0.745 373 L CB -0.807 41.268 42.059 0.027 0.000 0.894 373 L HN -0.062 nan 8.230 nan 0.000 0.432 374 A N -0.534 122.296 122.820 0.017 0.000 1.933 374 A HA -0.106 4.240 4.320 0.043 0.000 0.218 374 A C 2.446 180.061 177.584 0.051 0.000 1.175 374 A CA 1.798 53.841 52.037 0.010 0.000 0.628 374 A CB -1.143 17.826 19.000 -0.052 0.000 0.814 374 A HN 0.571 nan 8.150 nan 0.000 0.444 375 A N -0.524 122.315 122.820 0.033 0.000 1.902 375 A HA -0.146 4.200 4.320 0.043 0.000 0.217 375 A C 1.991 179.608 177.584 0.055 0.000 1.181 375 A CA 2.130 54.184 52.037 0.029 0.000 0.623 375 A CB -0.425 18.576 19.000 0.002 0.000 0.818 375 A HN 0.476 nan 8.150 nan 0.000 0.443 376 E N 0.170 120.414 120.200 0.073 0.000 2.072 376 E HA -0.007 4.369 4.350 0.043 0.000 0.191 376 E C 2.093 178.787 176.600 0.157 0.000 0.985 376 E CA 1.358 57.820 56.400 0.103 0.000 0.801 376 E CB -0.527 29.229 29.700 0.093 0.000 0.750 376 E HN 0.455 nan 8.360 nan 0.000 0.452 377 A N 0.079 123.013 122.820 0.189 0.000 1.908 377 A HA -0.188 4.158 4.320 0.043 0.000 0.218 377 A C 2.501 180.246 177.584 0.269 0.000 1.181 377 A CA 1.865 54.072 52.037 0.284 0.000 0.627 377 A CB -0.874 18.389 19.000 0.438 0.000 0.818 377 A HN 0.190 nan 8.150 nan 0.000 0.445 378 V N -0.499 119.577 119.914 0.270 0.000 2.295 378 V HA -0.234 3.912 4.120 0.043 0.000 0.246 378 V C 2.565 178.828 176.094 0.281 0.000 1.049 378 V CA 1.976 64.419 62.300 0.239 0.000 1.024 378 V CB -0.854 31.072 31.823 0.171 0.000 0.648 378 V HN 0.374 nan 8.190 nan 0.000 0.447 379 V N -0.142 119.885 119.914 0.188 0.000 2.332 379 V HA -0.256 3.890 4.120 0.043 0.000 0.248 379 V C 2.274 178.580 176.094 0.353 0.000 1.055 379 V CA 1.986 64.428 62.300 0.236 0.000 1.038 379 V CB -0.525 31.362 31.823 0.106 0.000 0.651 379 V HN 0.456 nan 8.190 nan 0.000 0.450 380 L N -0.778 120.637 121.223 0.319 0.000 2.156 380 L HA -0.153 4.213 4.340 0.043 0.000 0.208 380 L C 2.477 179.541 176.870 0.324 0.000 1.095 380 L CA 1.705 56.800 54.840 0.424 0.000 0.770 380 L CB -0.679 41.567 42.059 0.312 0.000 0.914 380 L HN 0.463 nan 8.230 nan 0.000 0.439 381 H N -1.096 117.986 119.070 0.020 0.000 2.436 381 H HA -0.127 4.457 4.556 0.046 0.000 0.294 381 H C 1.718 176.913 175.328 -0.223 0.000 1.048 381 H CA 1.546 57.441 56.048 -0.255 0.000 1.353 381 H CB 0.190 29.432 29.762 -0.867 0.000 1.414 381 H HN 0.224 nan 8.280 nan 0.000 0.536 382 Y N -0.114 120.245 120.300 0.097 0.000 2.500 382 Y HA 0.146 4.722 4.550 0.043 0.000 0.270 382 Y C 0.758 176.634 175.900 -0.039 0.000 1.134 382 Y CA 0.246 58.416 58.100 0.117 0.000 1.293 382 Y CB 0.367 39.028 38.460 0.335 0.000 1.063 382 Y HN 0.028 nan 8.280 nan 0.000 0.534 383 T N 1.543 116.096 114.554 -0.002 0.000 2.916 383 T HA -0.061 4.315 4.350 0.043 0.000 0.303 383 T C -0.178 174.157 174.700 -0.608 0.000 1.025 383 T CA -0.210 61.630 62.100 -0.434 0.000 1.142 383 T CB 0.331 68.670 68.868 -0.881 0.000 0.947 383 T HN 0.083 nan 8.240 nan 0.000 0.544 384 D N 2.091 122.193 120.400 -0.497 0.000 2.411 384 D HA 0.075 4.741 4.640 0.043 0.000 0.225 384 D C 0.205 176.232 176.300 -0.456 0.000 1.156 384 D CA -0.551 53.253 54.000 -0.326 0.000 0.874 384 D CB 0.400 41.132 40.800 -0.114 0.000 1.034 384 D HN 0.634 nan 8.370 nan 0.000 0.502 385 W N 3.119 124.368 121.300 -0.086 0.000 2.480 385 W HA -0.057 4.626 4.660 0.040 0.000 0.257 385 W C 2.064 178.485 176.519 -0.164 0.000 1.235 385 W CA -0.158 57.126 57.345 -0.101 0.000 1.218 385 W CB 0.102 29.512 29.460 -0.085 0.000 1.131 385 W HN 0.442 nan 8.180 nan 0.000 0.606 386 L N -1.311 119.832 121.223 -0.134 0.000 2.209 386 L HA -0.052 4.314 4.340 0.043 0.000 0.207 386 L C 0.127 176.614 176.870 -0.639 0.000 1.094 386 L CA 1.066 55.671 54.840 -0.393 0.000 0.790 386 L CB -0.192 41.529 42.059 -0.563 0.000 0.932 386 L HN 0.031 nan 8.230 nan 0.000 0.447 387 H N -1.624 117.310 119.070 -0.226 0.000 2.439 387 H HA 0.158 4.721 4.556 0.012 0.000 0.228 387 H C -1.862 173.263 175.328 -0.339 0.000 1.423 387 H CA -1.349 54.519 56.048 -0.300 0.000 1.386 387 H CB 0.201 29.655 29.762 -0.514 0.000 1.641 387 H HN -0.021 nan 8.280 nan 0.000 0.508 388 P HA -0.147 nan 4.420 nan 0.000 0.225 388 P C 0.612 177.798 177.300 -0.191 0.000 1.148 388 P CA 1.158 64.074 63.100 -0.307 0.000 0.779 388 P CB 0.719 32.266 31.700 -0.256 0.000 0.780 389 E N -0.451 119.683 120.200 -0.109 0.000 2.489 389 E HA 0.038 4.414 4.350 0.043 0.000 0.204 389 E C 0.102 176.659 176.600 -0.071 0.000 1.006 389 E CA -0.046 56.313 56.400 -0.068 0.000 0.936 389 E CB -0.275 29.407 29.700 -0.029 0.000 1.002 389 E HN 0.245 nan 8.360 nan 0.000 0.488 390 D N 3.294 123.642 120.400 -0.087 0.000 2.412 390 D HA -0.031 4.635 4.640 0.043 0.000 0.257 390 D C -1.155 175.113 176.300 -0.052 0.000 1.217 390 D CA -1.316 52.645 54.000 -0.065 0.000 0.897 390 D CB 1.177 41.920 40.800 -0.096 0.000 1.132 390 D HN -0.111 nan 8.370 nan 0.000 0.493 391 P HA -0.181 nan 4.420 nan 0.000 0.216 391 P C 1.161 178.410 177.300 -0.086 0.000 1.150 391 P CA 1.182 64.230 63.100 -0.087 0.000 0.837 391 P CB 0.149 31.791 31.700 -0.098 0.000 0.786 392 T N -0.843 113.685 114.554 -0.042 0.000 2.746 392 T HA -0.147 4.229 4.350 0.043 0.000 0.267 392 T C 1.717 176.392 174.700 -0.043 0.000 1.039 392 T CA 1.653 63.724 62.100 -0.049 0.000 1.142 392 T CB -0.958 67.884 68.868 -0.042 0.000 0.866 392 T HN 0.276 nan 8.240 nan 0.000 0.444 393 H N 0.654 119.653 119.070 -0.118 0.000 2.357 393 H HA 0.144 4.720 4.556 0.033 0.000 0.301 393 H C 2.137 177.354 175.328 -0.186 0.000 1.082 393 H CA 0.949 56.923 56.048 -0.123 0.000 1.342 393 H CB -0.458 29.224 29.762 -0.134 0.000 1.389 393 H HN 0.212 nan 8.280 nan 0.000 0.511 394 L N -0.005 121.146 121.223 -0.120 0.000 2.083 394 L HA -0.168 4.198 4.340 0.043 0.000 0.209 394 L C 2.763 179.537 176.870 -0.159 0.000 1.083 394 L CA 1.201 55.837 54.840 -0.340 0.000 0.752 394 L CB -0.315 41.577 42.059 -0.279 0.000 0.899 394 L HN 0.242 nan 8.230 nan 0.000 0.433 395 R N 0.528 120.999 120.500 -0.049 0.000 2.062 395 R HA -0.172 4.194 4.340 0.043 0.000 0.231 395 R C 1.703 178.125 176.300 0.203 0.000 1.136 395 R CA 2.041 58.197 56.100 0.093 0.000 0.948 395 R CB -0.388 29.836 30.300 -0.127 0.000 0.845 395 R HN 0.301 nan 8.270 nan 0.000 0.430 396 D N 0.569 121.035 120.400 0.110 0.000 2.144 396 D HA -0.108 4.558 4.640 0.043 0.000 0.199 396 D C 1.708 178.102 176.300 0.157 0.000 0.984 396 D CA 1.527 55.615 54.000 0.146 0.000 0.834 396 D CB -0.209 40.627 40.800 0.061 0.000 0.955 396 D HN 0.395 nan 8.370 nan 0.000 0.465 397 A N 0.378 123.250 122.820 0.088 0.000 1.969 397 A HA -0.123 4.223 4.320 0.043 0.000 0.218 397 A C 2.105 179.813 177.584 0.206 0.000 1.169 397 A CA 1.280 53.401 52.037 0.140 0.000 0.635 397 A CB -0.403 18.554 19.000 -0.072 0.000 0.810 397 A HN 0.141 nan 8.150 nan 0.000 0.445 398 M N -0.126 119.632 119.600 0.263 0.000 2.117 398 M HA -0.083 4.423 4.480 0.043 0.000 0.262 398 M C 2.302 178.699 176.300 0.162 0.000 1.065 398 M CA 2.121 57.631 55.300 0.351 0.000 1.114 398 M CB -0.595 32.284 32.600 0.466 0.000 1.361 398 M HN 0.389 nan 8.290 nan 0.000 0.408 399 S N -0.239 115.570 115.700 0.181 0.000 2.348 399 S HA -0.125 4.372 4.470 0.043 0.000 0.221 399 S C 2.086 176.784 174.600 0.165 0.000 1.033 399 S CA 1.713 60.022 58.200 0.182 0.000 1.010 399 S CB -0.714 62.653 63.200 0.277 0.000 0.891 399 S HN 0.634 nan 8.310 nan 0.000 0.442 400 A N 0.828 123.764 122.820 0.194 0.000 1.908 400 A HA -0.045 4.301 4.320 0.043 0.000 0.218 400 A C 2.372 180.040 177.584 0.140 0.000 1.181 400 A CA 1.939 54.120 52.037 0.238 0.000 0.627 400 A CB -1.156 18.080 19.000 0.393 0.000 0.818 400 A HN 0.479 nan 8.150 nan 0.000 0.445 401 V N -0.539 119.315 119.914 -0.100 0.000 2.295 401 V HA -0.240 3.906 4.120 0.043 0.000 0.246 401 V C 2.575 178.626 176.094 -0.071 0.000 1.049 401 V CA 2.078 64.229 62.300 -0.248 0.000 1.024 401 V CB -0.727 30.932 31.823 -0.273 0.000 0.648 401 V HN 0.389 nan 8.190 nan 0.000 0.447 402 V N 0.701 120.601 119.914 -0.024 0.000 2.307 402 V HA -0.136 4.010 4.120 0.043 0.000 0.245 402 V C 2.618 178.643 176.094 -0.115 0.000 1.045 402 V CA 2.135 64.409 62.300 -0.042 0.000 1.024 402 V CB -1.298 30.549 31.823 0.041 0.000 0.651 402 V HN 0.610 nan 8.190 nan 0.000 0.449 403 G N -0.436 108.359 108.800 -0.009 0.000 2.408 403 G HA2 -0.217 3.769 3.960 0.043 0.000 0.217 403 G HA3 -0.217 3.769 3.960 0.043 0.000 0.217 403 G C 1.221 176.063 174.900 -0.097 0.000 1.150 403 G CA 0.969 46.063 45.100 -0.010 0.000 0.776 403 G HN 0.506 nan 8.290 nan 0.000 0.542 404 D N -0.268 120.084 120.400 -0.079 0.000 2.103 404 D HA -0.057 4.609 4.640 0.043 0.000 0.199 404 D C 2.092 178.081 176.300 -0.518 0.000 0.978 404 D CA 1.143 55.057 54.000 -0.142 0.000 0.829 404 D CB -0.487 40.403 40.800 0.151 0.000 0.981 404 D HN 0.374 nan 8.370 nan 0.000 0.464 405 H N 1.300 119.778 119.070 -0.987 0.000 2.319 405 H HA -0.016 4.566 4.556 0.043 0.000 0.299 405 H C 1.501 176.418 175.328 -0.684 0.000 1.092 405 H CA 1.806 57.084 56.048 -1.284 0.000 1.302 405 H CB -0.004 28.980 29.762 -1.296 0.000 1.373 405 H HN 0.002 nan 8.280 nan 0.000 0.497 406 N N -0.816 117.431 118.700 -0.755 0.000 2.368 406 N HA -0.012 4.754 4.740 0.043 0.000 0.176 406 N C 1.378 176.622 175.510 -0.444 0.000 1.021 406 N CA 1.168 53.718 53.050 -0.833 0.000 0.888 406 N CB 0.893 38.354 38.487 -1.710 0.000 0.995 406 N HN 0.287 nan 8.380 nan 0.000 0.437 407 V N -0.356 119.361 119.914 -0.328 0.000 3.161 407 V HA 0.049 4.195 4.120 0.043 0.000 0.221 407 V C 2.210 178.255 176.094 -0.082 0.000 1.296 407 V CA 0.213 62.455 62.300 -0.097 0.000 1.306 407 V CB -0.104 31.740 31.823 0.034 0.000 1.171 407 V HN -0.166 nan 8.190 nan 0.000 0.513 408 V N 0.102 119.972 119.914 -0.073 0.000 2.255 408 V HA -0.319 3.827 4.120 0.043 0.000 0.247 408 V C 2.513 178.566 176.094 -0.068 0.000 1.051 408 V CA 2.680 64.951 62.300 -0.048 0.000 1.018 408 V CB -0.827 31.001 31.823 0.008 0.000 0.641 408 V HN 0.664 nan 8.190 nan 0.000 0.445 409 c N -0.476 118.074 118.600 -0.085 0.000 2.457 409 c HA -0.000 4.596 4.570 0.043 0.000 0.278 409 c C 0.554 174.602 174.090 -0.070 0.000 1.309 409 c CA 0.962 57.269 56.329 -0.037 0.000 1.735 409 c CB -1.743 40.770 42.510 0.005 0.000 1.992 409 c HN 0.458 nan 8.230 nan 0.000 0.493 410 P HA -0.044 nan 4.420 nan 0.000 0.218 410 P C 1.742 178.967 177.300 -0.125 0.000 1.149 410 P CA 1.193 64.207 63.100 -0.143 0.000 0.817 410 P CB -0.085 31.489 31.700 -0.210 0.000 0.785 411 V N 0.124 119.967 119.914 -0.118 0.000 2.358 411 V HA -0.233 3.913 4.120 0.043 0.000 0.246 411 V C 2.408 178.397 176.094 -0.175 0.000 1.047 411 V CA 2.232 64.448 62.300 -0.139 0.000 1.035 411 V CB -1.610 30.132 31.823 -0.134 0.000 0.658 411 V HN 0.087 nan 8.190 nan 0.000 0.452 412 A N -0.314 122.419 122.820 -0.145 0.000 1.908 412 A HA -0.329 4.017 4.320 0.043 0.000 0.218 412 A C 2.186 179.724 177.584 -0.076 0.000 1.181 412 A CA 2.336 54.293 52.037 -0.134 0.000 0.627 412 A CB -0.567 18.410 19.000 -0.039 0.000 0.818 412 A HN 0.605 nan 8.150 nan 0.000 0.445 413 Q N -0.567 119.205 119.800 -0.047 0.000 2.030 413 Q HA -0.178 4.188 4.340 0.043 0.000 0.204 413 Q C 1.906 177.879 176.000 -0.046 0.000 0.986 413 Q CA 2.046 57.836 55.803 -0.022 0.000 0.843 413 Q CB -0.499 28.222 28.738 -0.027 0.000 0.904 413 Q HN 0.507 nan 8.270 nan 0.000 0.420 414 L N 0.350 121.517 121.223 -0.093 0.000 2.012 414 L HA -0.079 4.287 4.340 0.043 0.000 0.210 414 L C 2.233 179.026 176.870 -0.127 0.000 1.073 414 L CA 2.350 57.122 54.840 -0.114 0.000 0.748 414 L CB -1.138 40.835 42.059 -0.143 0.000 0.891 414 L HN 0.332 nan 8.230 nan 0.000 0.431 415 A N -0.455 122.251 122.820 -0.190 0.000 1.883 415 A HA -0.149 4.198 4.320 0.043 0.000 0.217 415 A C 2.352 179.921 177.584 -0.025 0.000 1.186 415 A CA 1.862 53.738 52.037 -0.269 0.000 0.624 415 A CB -1.696 16.865 19.000 -0.730 0.000 0.822 415 A HN 0.557 nan 8.150 nan 0.000 0.444 416 G N -0.764 108.088 108.800 0.086 0.000 2.418 416 G HA2 -0.199 3.787 3.960 0.043 0.000 0.217 416 G HA3 -0.199 3.787 3.960 0.043 0.000 0.217 416 G C 1.653 176.631 174.900 0.130 0.000 1.158 416 G CA 0.804 46.042 45.100 0.230 0.000 0.771 416 G HN 0.425 nan 8.290 nan 0.000 0.545 417 R N 0.248 120.792 120.500 0.073 0.000 2.075 417 R HA 0.119 4.485 4.340 0.043 0.000 0.232 417 R C 2.630 178.994 176.300 0.107 0.000 1.126 417 R CA 0.473 56.624 56.100 0.085 0.000 0.963 417 R CB -1.180 29.163 30.300 0.071 0.000 0.858 417 R HN 0.392 nan 8.270 nan 0.000 0.435 418 L N 0.444 121.677 121.223 0.017 0.000 2.046 418 L HA -0.119 4.247 4.340 0.043 0.000 0.208 418 L C 2.647 179.570 176.870 0.088 0.000 1.077 418 L CA 1.400 56.225 54.840 -0.025 0.000 0.747 418 L CB -0.667 41.275 42.059 -0.195 0.000 0.896 418 L HN 0.154 nan 8.230 nan 0.000 0.432 419 A N 0.010 122.888 122.820 0.096 0.000 1.877 419 A HA -0.190 4.156 4.320 0.043 0.000 0.216 419 A C 2.510 180.151 177.584 0.095 0.000 1.186 419 A CA 1.798 53.899 52.037 0.108 0.000 0.620 419 A CB -0.772 18.326 19.000 0.164 0.000 0.822 419 A HN 0.406 nan 8.150 nan 0.000 0.443 420 A N -1.462 121.419 122.820 0.102 0.000 1.972 420 A HA -0.129 4.217 4.320 0.043 0.000 0.219 420 A C 1.907 179.548 177.584 0.095 0.000 1.169 420 A CA 1.786 53.873 52.037 0.084 0.000 0.635 420 A CB -0.342 18.706 19.000 0.081 0.000 0.810 420 A HN 0.448 nan 8.150 nan 0.000 0.446 421 Q N -1.258 118.632 119.800 0.150 0.000 2.282 421 Q HA 0.331 4.697 4.340 0.043 0.000 0.205 421 Q C 1.052 177.147 176.000 0.158 0.000 0.915 421 Q CA 0.730 56.636 55.803 0.172 0.000 0.949 421 Q CB -0.120 28.827 28.738 0.348 0.000 1.035 421 Q HN 0.901 nan 8.270 nan 0.000 0.484 422 G N -1.511 107.362 108.800 0.121 0.000 2.175 422 G HA2 -0.244 3.742 3.960 0.043 0.000 0.244 422 G HA3 -0.244 3.742 3.960 0.043 0.000 0.244 422 G C 0.288 175.253 174.900 0.108 0.000 0.982 422 G CA -0.028 45.128 45.100 0.094 0.000 0.641 422 G HN 0.602 nan 8.290 nan 0.000 0.527 423 A N -0.272 122.631 122.820 0.139 0.000 2.304 423 A HA 0.797 5.144 4.320 0.043 0.000 0.271 423 A C 0.566 178.181 177.584 0.052 0.000 1.091 423 A CA 0.240 52.342 52.037 0.108 0.000 0.812 423 A CB 0.470 19.523 19.000 0.088 0.000 1.056 423 A HN 0.718 nan 8.150 nan 0.000 0.489 424 R N 0.963 121.489 120.500 0.044 0.000 2.221 424 R HA 0.507 4.873 4.340 0.043 0.000 0.327 424 R C -1.377 174.900 176.300 -0.038 0.000 1.033 424 R CA -0.010 56.081 56.100 -0.014 0.000 0.887 424 R CB 0.456 30.777 30.300 0.035 0.000 1.057 424 R HN 0.470 nan 8.270 nan 0.000 0.455 425 V N 5.488 125.310 119.914 -0.152 0.000 2.604 425 V HA 0.432 4.578 4.120 0.043 0.000 0.305 425 V C -1.101 174.793 176.094 -0.334 0.000 1.043 425 V CA -0.836 61.387 62.300 -0.128 0.000 0.888 425 V CB 1.630 33.453 31.823 0.001 0.000 0.995 425 V HN 0.652 nan 8.190 nan 0.000 0.429 426 Y N 1.954 122.214 120.300 -0.068 0.000 2.376 426 Y HA 0.798 5.373 4.550 0.043 0.000 0.340 426 Y C 0.298 176.265 175.900 0.111 0.000 0.965 426 Y CA -0.527 57.519 58.100 -0.090 0.000 1.078 426 Y CB 2.256 40.294 38.460 -0.704 0.000 1.193 426 Y HN 0.793 nan 8.280 nan 0.000 0.452 427 A N 3.140 126.322 122.820 0.603 0.000 2.413 427 A HA 0.892 5.238 4.320 0.043 0.000 0.307 427 A C -1.810 176.155 177.584 0.636 0.000 1.087 427 A CA -0.678 51.600 52.037 0.402 0.000 0.750 427 A CB 1.179 20.248 19.000 0.115 0.000 1.296 427 A HN 0.758 nan 8.150 nan 0.000 0.423 428 Y N -0.850 119.693 120.300 0.405 0.000 2.655 428 Y HA 0.795 5.370 4.550 0.043 0.000 0.336 428 Y C -1.271 174.815 175.900 0.309 0.000 1.154 428 Y CA -1.656 56.634 58.100 0.317 0.000 1.055 428 Y CB 1.295 39.910 38.460 0.258 0.000 1.295 428 Y HN 0.720 nan 8.280 nan 0.000 0.465 429 I N 2.769 123.673 120.570 0.557 0.000 2.478 429 I HA 0.453 4.649 4.170 0.043 0.000 0.287 429 I C -1.940 174.525 176.117 0.581 0.000 1.042 429 I CA -0.973 60.610 61.300 0.472 0.000 1.067 429 I CB 1.136 39.357 38.000 0.370 0.000 1.233 429 I HN 0.721 nan 8.210 nan 0.000 0.431 430 F N 7.428 127.674 119.950 0.493 0.000 2.411 430 F HA 0.403 4.957 4.527 0.044 0.000 0.355 430 F C 0.577 176.535 175.800 0.264 0.000 1.117 430 F CA 0.108 58.333 58.000 0.375 0.000 1.139 430 F CB 0.931 40.166 39.000 0.392 0.000 1.120 430 F HN 0.539 nan 8.300 nan 0.000 0.493 431 E N 3.017 123.122 120.200 -0.159 0.000 2.630 431 E HA -0.021 4.355 4.350 0.043 0.000 0.218 431 E C -0.742 175.757 176.600 -0.170 0.000 0.977 431 E CA -0.171 56.192 56.400 -0.061 0.000 1.038 431 E CB 0.253 29.938 29.700 -0.024 0.000 1.051 431 E HN 0.518 nan 8.360 nan 0.000 0.487 432 H N 1.712 120.420 119.070 -0.603 0.000 2.562 432 H HA 0.229 4.810 4.556 0.043 0.000 0.314 432 H C -0.424 174.865 175.328 -0.065 0.000 1.079 432 H CA -0.417 55.353 56.048 -0.464 0.000 1.349 432 H CB 0.537 29.793 29.762 -0.843 0.000 1.432 432 H HN -0.145 nan 8.280 nan 0.000 0.479 433 R N 4.161 124.303 120.500 -0.597 0.000 2.221 433 R HA 0.508 4.875 4.340 0.043 0.000 0.327 433 R C -0.570 175.406 176.300 -0.540 0.000 1.033 433 R CA -0.673 55.232 56.100 -0.325 0.000 0.887 433 R CB 0.403 30.622 30.300 -0.136 0.000 1.057 433 R HN 0.821 nan 8.270 nan 0.000 0.455 434 A N 3.092 125.905 122.820 -0.012 0.000 2.565 434 A HA -0.009 4.337 4.320 0.043 0.000 0.237 434 A C 1.337 179.027 177.584 0.176 0.000 1.053 434 A CA 0.555 52.814 52.037 0.369 0.000 0.755 434 A CB 0.273 19.651 19.000 0.630 0.000 0.980 434 A HN 1.031 nan 8.150 nan 0.000 0.506 435 S N 1.531 117.380 115.700 0.249 0.000 2.419 435 S HA -0.167 4.329 4.470 0.043 0.000 0.233 435 S C 1.398 176.011 174.600 0.021 0.000 1.016 435 S CA 1.643 59.915 58.200 0.120 0.000 0.974 435 S CB -0.857 62.433 63.200 0.149 0.000 0.786 435 S HN 1.267 nan 8.310 nan 0.000 0.492 436 T N -0.676 113.862 114.554 -0.026 0.000 3.129 436 T HA 0.340 4.716 4.350 0.043 0.000 0.251 436 T C 0.376 175.027 174.700 -0.082 0.000 1.117 436 T CA -0.517 61.495 62.100 -0.147 0.000 1.034 436 T CB -0.562 68.063 68.868 -0.406 0.000 0.968 436 T HN 0.243 nan 8.240 nan 0.000 0.526 437 L N 3.941 125.160 121.223 -0.007 0.000 2.525 437 L HA 0.229 4.595 4.340 0.043 0.000 0.278 437 L C 1.527 178.361 176.870 -0.061 0.000 1.218 437 L CA 0.800 55.626 54.840 -0.024 0.000 0.878 437 L CB 0.747 42.799 42.059 -0.011 0.000 1.127 437 L HN 0.422 nan 8.230 nan 0.000 0.492 438 T N -0.399 114.077 114.554 -0.130 0.000 3.060 438 T HA 0.120 4.496 4.350 0.043 0.000 0.249 438 T C 0.288 174.975 174.700 -0.021 0.000 1.079 438 T CA -0.414 61.605 62.100 -0.135 0.000 1.013 438 T CB -0.308 68.367 68.868 -0.323 0.000 0.975 438 T HN 0.424 nan 8.240 nan 0.000 0.518 439 W N 3.312 124.617 121.300 0.009 0.000 2.215 439 W HA 0.466 5.152 4.660 0.043 0.000 0.342 439 W C -2.013 174.423 176.519 -0.138 0.000 1.237 439 W CA -2.325 55.006 57.345 -0.022 0.000 1.283 439 W CB 0.134 29.512 29.460 -0.136 0.000 1.131 439 W HN -0.086 nan 8.180 nan 0.000 0.606 440 P HA -0.040 nan 4.420 nan 0.000 0.270 440 P C 0.613 177.849 177.300 -0.106 0.000 1.227 440 P CA 0.176 63.258 63.100 -0.031 0.000 0.788 440 P CB 0.919 32.629 31.700 0.017 0.000 0.926 441 L N 0.400 121.626 121.223 0.005 0.000 2.079 441 L HA -0.143 4.223 4.340 0.043 0.000 0.210 441 L C 2.635 179.540 176.870 0.059 0.000 1.081 441 L CA 1.487 56.345 54.840 0.030 0.000 0.752 441 L CB -0.904 41.200 42.059 0.075 0.000 0.896 441 L HN 0.625 nan 8.230 nan 0.000 0.433 442 W N -0.189 121.156 121.300 0.075 0.000 2.387 442 W HA -0.194 4.491 4.660 0.042 0.000 0.272 442 W C 1.685 178.265 176.519 0.101 0.000 1.224 442 W CA 0.605 57.999 57.345 0.082 0.000 1.210 442 W CB -0.790 28.722 29.460 0.088 0.000 1.125 442 W HN 0.197 nan 8.180 nan 0.000 0.572 443 M N 1.337 120.584 119.600 -0.589 0.000 2.619 443 M HA 0.127 4.633 4.480 0.043 0.000 0.251 443 M C 1.842 178.048 176.300 -0.158 0.000 1.106 443 M CA 1.336 56.276 55.300 -0.600 0.000 1.086 443 M CB -0.633 31.451 32.600 -0.861 0.000 1.465 443 M HN 0.186 nan 8.290 nan 0.000 0.506 444 G N 0.774 109.542 108.800 -0.053 0.000 2.622 444 G HA2 -0.298 3.688 3.960 0.043 0.000 0.307 444 G HA3 -0.298 3.688 3.960 0.043 0.000 0.307 444 G C -0.084 174.833 174.900 0.029 0.000 1.226 444 G CA -0.023 45.092 45.100 0.024 0.000 0.997 444 G HN 0.251 nan 8.290 nan 0.000 0.551 445 V N 3.535 123.510 119.914 0.102 0.000 2.277 445 V HA 0.463 4.609 4.120 0.043 0.000 0.269 445 V C -1.854 174.370 176.094 0.217 0.000 1.036 445 V CA -0.854 61.557 62.300 0.184 0.000 0.821 445 V CB 1.179 33.161 31.823 0.265 0.000 1.052 445 V HN 0.515 nan 8.190 nan 0.000 0.462 446 P HA 0.168 nan 4.420 nan 0.000 0.274 446 P C -0.229 177.279 177.300 0.346 0.000 1.237 446 P CA -0.473 62.758 63.100 0.219 0.000 0.793 446 P CB 0.366 32.095 31.700 0.048 0.000 0.977 447 H N 1.018 120.158 119.070 0.118 0.000 3.192 447 H HA 0.220 4.802 4.556 0.043 0.000 0.295 447 H C 1.552 176.758 175.328 -0.203 0.000 0.943 447 H CA 2.315 58.369 56.048 0.010 0.000 1.416 447 H CB -0.729 29.043 29.762 0.017 0.000 1.434 447 H HN 0.748 nan 8.280 nan 0.000 0.565 448 G N 3.541 112.065 108.800 -0.461 0.000 2.213 448 G HA2 -0.320 3.666 3.960 0.043 0.000 0.236 448 G HA3 -0.320 3.666 3.960 0.043 0.000 0.236 448 G C 0.554 175.272 174.900 -0.303 0.000 0.991 448 G CA 0.366 45.166 45.100 -0.499 0.000 0.629 448 G HN 0.645 nan 8.290 nan 0.000 0.517 449 Y N 1.530 121.897 120.300 0.111 0.000 2.470 449 Y HA 0.257 4.833 4.550 0.044 0.000 0.284 449 Y C 2.274 178.270 175.900 0.159 0.000 1.188 449 Y CA 0.933 59.161 58.100 0.215 0.000 1.269 449 Y CB 0.402 39.030 38.460 0.280 0.000 1.094 449 Y HN 0.521 nan 8.280 nan 0.000 0.518 450 E N -0.076 120.059 120.200 -0.108 0.000 2.364 450 E HA -0.028 4.348 4.350 0.043 0.000 0.196 450 E C 1.590 178.048 176.600 -0.236 0.000 0.990 450 E CA 0.501 56.500 56.400 -0.668 0.000 0.886 450 E CB -0.415 28.505 29.700 -1.300 0.000 0.866 450 E HN 0.525 nan 8.360 nan 0.000 0.493 451 I N 3.007 123.534 120.570 -0.072 0.000 2.151 451 I HA -0.319 3.877 4.170 0.043 0.000 0.243 451 I C 2.733 178.829 176.117 -0.035 0.000 1.080 451 I CA 2.213 63.523 61.300 0.017 0.000 1.339 451 I CB -0.533 37.563 38.000 0.160 0.000 1.039 451 I HN 0.217 nan 8.210 nan 0.000 0.409 452 E N 1.109 121.222 120.200 -0.144 0.000 2.209 452 E HA -0.236 4.140 4.350 0.043 0.000 0.196 452 E C 2.035 178.330 176.600 -0.509 0.000 0.993 452 E CA 1.490 57.693 56.400 -0.328 0.000 0.819 452 E CB -0.518 28.960 29.700 -0.370 0.000 0.745 452 E HN 0.452 nan 8.360 nan 0.000 0.477 453 F N 1.299 121.122 119.950 -0.212 0.000 2.187 453 F HA -0.028 4.525 4.527 0.044 0.000 0.295 453 F C 2.353 177.909 175.800 -0.407 0.000 1.091 453 F CA 0.531 58.352 58.000 -0.300 0.000 1.308 453 F CB -0.136 38.769 39.000 -0.159 0.000 1.030 453 F HN -0.024 nan 8.300 nan 0.000 0.487 454 I N -0.823 119.561 120.570 -0.310 0.000 2.226 454 I HA -0.277 3.919 4.170 0.043 0.000 0.245 454 I C 2.111 177.964 176.117 -0.440 0.000 1.100 454 I CA 1.644 62.604 61.300 -0.566 0.000 1.374 454 I CB -1.445 36.116 38.000 -0.733 0.000 1.057 454 I HN 0.082 nan 8.210 nan 0.000 0.413 455 F N 1.055 120.810 119.950 -0.325 0.000 2.748 455 F HA 0.158 4.711 4.527 0.043 0.000 0.299 455 F C 1.895 177.558 175.800 -0.228 0.000 1.154 455 F CA 0.902 58.758 58.000 -0.240 0.000 1.446 455 F CB -0.356 38.489 39.000 -0.258 0.000 1.112 455 F HN 0.308 nan 8.300 nan 0.000 0.584 456 G N -0.017 108.626 108.800 -0.262 0.000 2.137 456 G HA2 -0.304 3.682 3.960 0.043 0.000 0.237 456 G HA3 -0.304 3.682 3.960 0.043 0.000 0.237 456 G C 0.955 175.274 174.900 -0.969 0.000 1.002 456 G CA 0.315 45.141 45.100 -0.456 0.000 0.702 456 G HN 0.306 nan 8.290 nan 0.000 0.515 457 L N 0.252 120.951 121.223 -0.873 0.000 2.127 457 L HA 0.045 4.411 4.340 0.043 0.000 0.211 457 L C 0.417 176.780 176.870 -0.845 0.000 1.089 457 L CA 2.551 56.817 54.840 -0.958 0.000 0.757 457 L CB -0.879 40.887 42.059 -0.489 0.000 0.899 457 L HN 0.191 nan 8.230 nan 0.000 0.434 458 P HA -0.146 nan 4.420 nan 0.000 0.223 458 P C 1.517 178.604 177.300 -0.355 0.000 1.144 458 P CA 0.883 63.499 63.100 -0.806 0.000 0.783 458 P CB 0.065 31.252 31.700 -0.855 0.000 0.771 459 L N -1.350 119.585 121.223 -0.481 0.000 2.465 459 L HA -0.028 4.339 4.340 0.043 0.000 0.224 459 L C 0.916 177.700 176.870 -0.143 0.000 1.145 459 L CA 1.132 55.807 54.840 -0.276 0.000 0.834 459 L CB -1.053 40.852 42.059 -0.256 0.000 0.944 459 L HN -0.054 nan 8.230 nan 0.000 0.451 460 D N -0.314 119.965 120.400 -0.202 0.000 2.365 460 D HA 0.097 4.763 4.640 0.043 0.000 0.237 460 D C -1.581 174.746 176.300 0.044 0.000 1.190 460 D CA -2.086 51.934 54.000 0.035 0.000 0.867 460 D CB 1.510 42.369 40.800 0.098 0.000 1.050 460 D HN -0.053 nan 8.370 nan 0.000 0.491 461 P HA -0.217 nan 4.420 nan 0.000 0.217 461 P C 1.288 178.607 177.300 0.031 0.000 1.158 461 P CA 1.597 64.721 63.100 0.040 0.000 0.887 461 P CB 0.010 31.731 31.700 0.035 0.000 0.792 462 S N -1.460 114.257 115.700 0.028 0.000 2.528 462 S HA -0.085 4.411 4.470 0.043 0.000 0.244 462 S C 1.640 176.232 174.600 -0.013 0.000 0.982 462 S CA 0.846 59.050 58.200 0.006 0.000 0.953 462 S CB -1.404 61.800 63.200 0.007 0.000 0.754 462 S HN 0.119 nan 8.310 nan 0.000 0.529 463 L N 0.486 121.711 121.223 0.004 0.000 2.529 463 L HA 0.185 4.551 4.340 0.043 0.000 0.223 463 L C 0.161 176.935 176.870 -0.158 0.000 1.113 463 L CA -0.061 54.748 54.840 -0.051 0.000 0.861 463 L CB -0.594 41.500 42.059 0.058 0.000 1.012 463 L HN 0.255 nan 8.230 nan 0.000 0.461 464 N N -1.361 117.298 118.700 -0.069 0.000 2.776 464 N HA -0.221 4.545 4.740 0.043 0.000 0.249 464 N C -0.576 174.866 175.510 -0.112 0.000 1.111 464 N CA 0.752 53.750 53.050 -0.088 0.000 0.711 464 N CB -1.895 36.518 38.487 -0.123 0.000 1.065 464 N HN 0.278 nan 8.380 nan 0.000 0.556 465 Y N 1.052 121.346 120.300 -0.009 0.000 2.300 465 Y HA 0.252 4.828 4.550 0.043 0.000 0.328 465 Y C 1.946 177.875 175.900 0.049 0.000 1.270 465 Y CA 0.135 58.257 58.100 0.037 0.000 1.352 465 Y CB 0.604 39.078 38.460 0.023 0.000 1.286 465 Y HN 0.115 nan 8.280 nan 0.000 0.536 466 T N -2.787 111.920 114.554 0.256 0.000 2.766 466 T HA 0.044 4.420 4.350 0.043 0.000 0.295 466 T C 1.118 175.898 174.700 0.133 0.000 1.024 466 T CA -0.272 61.920 62.100 0.153 0.000 1.018 466 T CB 0.725 69.671 68.868 0.131 0.000 1.002 466 T HN 0.699 nan 8.240 nan 0.000 0.532 467 T N 0.970 115.572 114.554 0.080 0.000 2.821 467 T HA -0.055 4.321 4.350 0.043 0.000 0.267 467 T C 1.795 176.526 174.700 0.051 0.000 1.046 467 T CA 1.667 63.800 62.100 0.056 0.000 1.139 467 T CB -0.385 68.504 68.868 0.035 0.000 0.871 467 T HN 0.745 nan 8.240 nan 0.000 0.454 468 E N 1.311 121.537 120.200 0.043 0.000 2.106 468 E HA -0.073 4.303 4.350 0.043 0.000 0.192 468 E C 2.202 178.827 176.600 0.042 0.000 0.984 468 E CA 0.907 57.312 56.400 0.009 0.000 0.806 468 E CB -0.164 29.510 29.700 -0.043 0.000 0.750 468 E HN 0.555 nan 8.360 nan 0.000 0.458 469 E N 0.324 120.593 120.200 0.115 0.000 2.150 469 E HA -0.160 4.216 4.350 0.043 0.000 0.193 469 E C 2.106 178.840 176.600 0.223 0.000 0.985 469 E CA 0.599 57.158 56.400 0.264 0.000 0.814 469 E CB -0.027 29.969 29.700 0.493 0.000 0.752 469 E HN 0.100 nan 8.360 nan 0.000 0.466 470 R N 0.845 121.410 120.500 0.109 0.000 2.075 470 R HA -0.100 4.266 4.340 0.043 0.000 0.232 470 R C 2.238 178.549 176.300 0.018 0.000 1.126 470 R CA 1.032 57.142 56.100 0.017 0.000 0.963 470 R CB -0.110 30.197 30.300 0.012 0.000 0.858 470 R HN 0.120 nan 8.270 nan 0.000 0.435 471 I N 0.319 120.917 120.570 0.046 0.000 2.226 471 I HA -0.272 3.924 4.170 0.043 0.000 0.245 471 I C 2.142 178.303 176.117 0.074 0.000 1.100 471 I CA 0.979 62.301 61.300 0.036 0.000 1.374 471 I CB -0.338 37.681 38.000 0.031 0.000 1.057 471 I HN 0.192 nan 8.210 nan 0.000 0.413 472 F N 2.020 121.924 119.950 -0.076 0.000 2.102 472 F HA -0.234 4.320 4.527 0.045 0.000 0.298 472 F C 2.470 178.248 175.800 -0.037 0.000 1.105 472 F CA 1.341 59.285 58.000 -0.094 0.000 1.239 472 F CB -0.719 38.167 39.000 -0.191 0.000 0.991 472 F HN 0.017 nan 8.300 nan 0.000 0.474 473 A N 0.077 122.849 122.820 -0.081 0.000 1.908 473 A HA -0.253 4.093 4.320 0.043 0.000 0.218 473 A C 2.166 179.614 177.584 -0.227 0.000 1.181 473 A CA 1.896 53.810 52.037 -0.205 0.000 0.627 473 A CB -0.939 17.957 19.000 -0.173 0.000 0.818 473 A HN 0.624 nan 8.150 nan 0.000 0.445 474 Q N -0.929 118.782 119.800 -0.149 0.000 2.124 474 Q HA -0.168 4.198 4.340 0.043 0.000 0.202 474 Q C 2.379 178.272 176.000 -0.179 0.000 0.977 474 Q CA 1.430 57.152 55.803 -0.134 0.000 0.850 474 Q CB -0.177 28.512 28.738 -0.082 0.000 0.901 474 Q HN 0.620 nan 8.270 nan 0.000 0.429 475 R N 0.316 120.693 120.500 -0.204 0.000 2.073 475 R HA -0.111 4.255 4.340 0.043 0.000 0.234 475 R C 2.338 178.347 176.300 -0.487 0.000 1.134 475 R CA 1.147 57.044 56.100 -0.338 0.000 0.952 475 R CB -0.271 29.908 30.300 -0.203 0.000 0.850 475 R HN 0.241 nan 8.270 nan 0.000 0.433 476 L N 0.058 121.078 121.223 -0.338 0.000 2.017 476 L HA -0.198 4.168 4.340 0.043 0.000 0.208 476 L C 2.552 179.354 176.870 -0.113 0.000 1.073 476 L CA 1.402 56.128 54.840 -0.190 0.000 0.745 476 L CB -0.402 41.383 42.059 -0.458 0.000 0.894 476 L HN 0.243 nan 8.230 nan 0.000 0.432 477 M N -0.769 118.711 119.600 -0.200 0.000 2.149 477 M HA -0.199 4.307 4.480 0.043 0.000 0.261 477 M C 2.323 178.614 176.300 -0.014 0.000 1.064 477 M CA 1.503 56.726 55.300 -0.129 0.000 1.102 477 M CB -0.366 32.150 32.600 -0.141 0.000 1.369 477 M HN 0.080 nan 8.290 nan 0.000 0.408 478 K N -0.007 120.349 120.400 -0.073 0.000 2.025 478 K HA -0.130 4.216 4.320 0.043 0.000 0.207 478 K C 1.887 178.540 176.600 0.088 0.000 1.049 478 K CA 1.703 57.959 56.287 -0.051 0.000 0.933 478 K CB -0.396 32.000 32.500 -0.173 0.000 0.714 478 K HN 0.322 nan 8.250 nan 0.000 0.438 479 Y N -0.439 119.994 120.300 0.222 0.000 2.145 479 Y HA -0.216 4.359 4.550 0.043 0.000 0.286 479 Y C 2.437 178.496 175.900 0.265 0.000 1.145 479 Y CA 0.709 58.981 58.100 0.286 0.000 1.148 479 Y CB -0.767 38.014 38.460 0.535 0.000 0.981 479 Y HN 0.221 nan 8.280 nan 0.000 0.507 480 W N 0.520 121.897 121.300 0.127 0.000 2.381 480 W HA -0.207 4.478 4.660 0.043 0.000 0.301 480 W C 2.436 178.959 176.519 0.007 0.000 1.205 480 W CA 2.071 59.433 57.345 0.028 0.000 1.285 480 W CB -0.553 28.845 29.460 -0.102 0.000 1.133 480 W HN 0.216 nan 8.180 nan 0.000 0.521 481 T N -2.252 112.411 114.554 0.181 0.000 2.904 481 T HA -0.123 4.254 4.350 0.043 0.000 0.267 481 T C 1.418 176.144 174.700 0.042 0.000 1.059 481 T CA 1.054 63.190 62.100 0.060 0.000 1.137 481 T CB -0.549 68.332 68.868 0.022 0.000 0.879 481 T HN -0.073 nan 8.240 nan 0.000 0.467 482 N N 0.864 119.609 118.700 0.075 0.000 2.142 482 N HA 0.018 4.784 4.740 0.043 0.000 0.186 482 N C 1.392 176.896 175.510 -0.011 0.000 1.023 482 N CA 0.924 53.995 53.050 0.035 0.000 0.852 482 N CB -0.629 37.900 38.487 0.070 0.000 0.998 482 N HN 0.453 nan 8.380 nan 0.000 0.424 483 F N 1.874 121.743 119.950 -0.135 0.000 2.102 483 F HA -0.117 4.436 4.527 0.044 0.000 0.298 483 F C 2.200 177.917 175.800 -0.138 0.000 1.105 483 F CA 1.436 59.302 58.000 -0.223 0.000 1.239 483 F CB -0.544 38.234 39.000 -0.370 0.000 0.991 483 F HN 0.032 nan 8.300 nan 0.000 0.474 484 A N 0.677 123.394 122.820 -0.170 0.000 1.908 484 A HA -0.211 4.135 4.320 0.043 0.000 0.218 484 A C 2.359 179.825 177.584 -0.198 0.000 1.181 484 A CA 1.909 53.827 52.037 -0.198 0.000 0.627 484 A CB -0.755 18.204 19.000 -0.069 0.000 0.818 484 A HN 0.484 nan 8.150 nan 0.000 0.445 485 R N -1.166 119.253 120.500 -0.136 0.000 2.092 485 R HA -0.070 4.296 4.340 0.043 0.000 0.231 485 R C 1.900 178.116 176.300 -0.140 0.000 1.119 485 R CA 1.816 57.852 56.100 -0.108 0.000 0.970 485 R CB -0.246 30.018 30.300 -0.061 0.000 0.864 485 R HN 0.739 nan 8.270 nan 0.000 0.440 486 T N -5.520 108.925 114.554 -0.182 0.000 3.016 486 T HA 0.258 4.634 4.350 0.043 0.000 0.271 486 T C 1.151 175.720 174.700 -0.219 0.000 0.968 486 T CA 0.333 62.336 62.100 -0.162 0.000 0.891 486 T CB 1.378 70.189 68.868 -0.096 0.000 1.149 486 T HN 0.321 nan 8.240 nan 0.000 0.524 487 G N 1.283 109.821 108.800 -0.438 0.000 2.143 487 G HA2 -0.163 3.823 3.960 0.043 0.000 0.249 487 G HA3 -0.163 3.823 3.960 0.043 0.000 0.249 487 G C -0.382 174.433 174.900 -0.142 0.000 0.981 487 G CA 0.180 44.963 45.100 -0.530 0.000 0.665 487 G HN 0.783 nan 8.290 nan 0.000 0.528 488 D N -0.539 119.773 120.400 -0.146 0.000 2.855 488 D HA 0.429 5.095 4.640 0.043 0.000 0.241 488 D C -1.523 174.624 176.300 -0.254 0.000 1.277 488 D CA -1.494 52.382 54.000 -0.206 0.000 0.918 488 D CB 2.210 42.978 40.800 -0.053 0.000 1.462 488 D HN 0.008 nan 8.370 nan 0.000 0.559 489 P HA -0.027 nan 4.420 nan 0.000 0.237 489 P C -0.045 177.275 177.300 0.033 0.000 1.178 489 P CA 0.044 62.979 63.100 -0.274 0.000 0.766 489 P CB 0.442 31.685 31.700 -0.762 0.000 0.876 490 N N 1.427 120.110 118.700 -0.029 0.000 2.525 490 N HA 0.049 4.815 4.740 0.043 0.000 0.271 490 N C 0.073 175.654 175.510 0.117 0.000 1.194 490 N CA 0.089 53.220 53.050 0.135 0.000 0.964 490 N CB 0.493 39.048 38.487 0.114 0.000 1.126 490 N HN -0.005 nan 8.380 nan 0.000 0.452 491 D N 1.772 122.258 120.400 0.144 0.000 2.382 491 D HA 0.060 4.726 4.640 0.043 0.000 0.259 491 D C -1.252 175.088 176.300 0.067 0.000 1.224 491 D CA -1.090 52.964 54.000 0.090 0.000 0.894 491 D CB 1.116 41.966 40.800 0.083 0.000 1.127 491 D HN 0.274 nan 8.370 nan 0.000 0.487 492 P HA -0.085 nan 4.420 nan 0.000 0.220 492 P C 0.827 178.148 177.300 0.034 0.000 1.148 492 P CA 1.056 64.177 63.100 0.035 0.000 0.803 492 P CB 0.402 32.114 31.700 0.021 0.000 0.782 493 R N -0.357 120.163 120.500 0.034 0.000 2.543 493 R HA 0.240 4.606 4.340 0.043 0.000 0.323 493 R C -0.073 176.249 176.300 0.035 0.000 1.002 493 R CA -0.035 56.083 56.100 0.030 0.000 1.106 493 R CB -1.165 29.149 30.300 0.023 0.000 1.280 493 R HN 0.173 nan 8.270 nan 0.000 0.549 494 D N -0.157 120.270 120.400 0.046 0.000 2.414 494 D HA 0.336 5.002 4.640 0.043 0.000 0.232 494 D C -0.034 176.301 176.300 0.058 0.000 1.070 494 D CA -0.046 53.984 54.000 0.050 0.000 0.839 494 D CB 1.756 42.590 40.800 0.057 0.000 1.079 494 D HN 0.176 nan 8.370 nan 0.000 0.521 495 S N 2.827 118.556 115.700 0.049 0.000 2.623 495 S HA 0.611 5.107 4.470 0.043 0.000 0.278 495 S C -0.446 174.186 174.600 0.053 0.000 1.148 495 S CA 0.253 58.483 58.200 0.051 0.000 1.028 495 S CB 0.154 63.378 63.200 0.040 0.000 1.145 495 S HN 0.934 nan 8.310 nan 0.000 0.523 496 K N -0.133 120.297 120.400 0.049 0.000 5.530 496 K HA -0.103 4.243 4.320 0.043 0.000 0.493 496 K C 0.451 177.088 176.600 0.061 0.000 1.192 496 K CA 1.173 57.489 56.287 0.047 0.000 1.270 496 K CB -2.851 29.671 32.500 0.038 0.000 1.888 496 K HN 1.023 nan 8.250 nan 0.000 0.326 497 S N 1.583 117.326 115.700 0.071 0.000 3.248 497 S HA 0.624 5.120 4.470 0.043 0.000 0.173 497 S C -1.113 173.542 174.600 0.091 0.000 0.749 497 S CA 0.155 58.414 58.200 0.097 0.000 0.898 497 S CB -0.424 62.847 63.200 0.119 0.000 1.027 497 S HN 0.989 nan 8.310 nan 0.000 0.781 498 P HA 0.398 nan 4.420 nan 0.000 0.275 498 P C -1.007 176.369 177.300 0.126 0.000 1.266 498 P CA -0.263 62.888 63.100 0.086 0.000 0.793 498 P CB 0.348 32.081 31.700 0.055 0.000 1.074 499 Q N -0.537 119.343 119.800 0.134 0.000 2.259 499 Q HA 0.156 4.522 4.340 0.043 0.000 0.246 499 Q C -0.620 175.530 176.000 0.251 0.000 0.920 499 Q CA 0.016 55.933 55.803 0.190 0.000 0.895 499 Q CB 0.778 29.617 28.738 0.168 0.000 1.220 499 Q HN 0.549 nan 8.270 nan 0.000 0.439 500 W N 6.123 127.466 121.300 0.073 0.000 2.342 500 W HA 0.314 5.001 4.660 0.046 0.000 0.310 500 W C -2.451 174.198 176.519 0.217 0.000 1.128 500 W CA -2.408 54.987 57.345 0.085 0.000 1.322 500 W CB 0.478 29.918 29.460 -0.034 0.000 1.251 500 W HN 0.379 nan 8.180 nan 0.000 0.439 501 P HA 0.331 nan 4.420 nan 0.000 0.284 501 P C -2.670 174.834 177.300 0.340 0.000 1.258 501 P CA -1.871 61.456 63.100 0.377 0.000 0.824 501 P CB 1.342 33.175 31.700 0.220 0.000 1.038 502 P HA 0.071 nan 4.420 nan 0.000 0.269 502 P C -0.698 176.588 177.300 -0.024 0.000 1.215 502 P CA 0.201 63.101 63.100 -0.333 0.000 0.780 502 P CB 0.061 31.546 31.700 -0.357 0.000 0.898 503 Y N 2.404 122.638 120.300 -0.110 0.000 2.316 503 Y HA 0.438 5.014 4.550 0.043 0.000 0.331 503 Y C 0.162 176.049 175.900 -0.020 0.000 1.083 503 Y CA 0.379 58.489 58.100 0.017 0.000 1.206 503 Y CB 0.511 39.001 38.460 0.051 0.000 1.195 503 Y HN 0.419 nan 8.280 nan 0.000 0.497 504 T N 0.138 114.392 114.554 -0.501 0.000 2.896 504 T HA 0.228 4.604 4.350 0.043 0.000 0.297 504 T C 0.792 175.232 174.700 -0.434 0.000 1.108 504 T CA -0.226 61.697 62.100 -0.297 0.000 1.004 504 T CB 1.209 69.985 68.868 -0.154 0.000 1.159 504 T HN 0.668 nan 8.240 nan 0.000 0.499 505 T N -0.787 113.663 114.554 -0.173 0.000 2.867 505 T HA 0.026 4.402 4.350 0.043 0.000 0.268 505 T C 2.181 176.819 174.700 -0.104 0.000 1.057 505 T CA 1.009 63.047 62.100 -0.103 0.000 1.136 505 T CB -0.761 68.110 68.868 0.004 0.000 0.874 505 T HN 0.874 nan 8.240 nan 0.000 0.466 506 A N 2.077 124.840 122.820 -0.095 0.000 1.825 506 A HA 0.454 4.800 4.320 0.043 0.000 0.214 506 A C 2.745 180.282 177.584 -0.077 0.000 1.206 506 A CA 1.731 53.730 52.037 -0.063 0.000 0.609 506 A CB -1.364 17.610 19.000 -0.045 0.000 0.851 506 A HN 0.771 nan 8.150 nan 0.000 0.445 507 A N -2.297 120.459 122.820 -0.108 0.000 2.147 507 A HA 0.242 4.588 4.320 0.043 0.000 0.211 507 A C 0.984 178.498 177.584 -0.117 0.000 1.160 507 A CA 0.908 52.894 52.037 -0.084 0.000 0.781 507 A CB -0.336 18.631 19.000 -0.055 0.000 0.842 507 A HN 0.593 nan 8.150 nan 0.000 0.475 508 Q N -0.404 119.211 119.800 -0.309 0.000 2.457 508 Q HA -0.231 4.135 4.340 0.043 0.000 0.283 508 Q C -0.676 175.316 176.000 -0.014 0.000 1.234 508 Q CA 0.718 56.261 55.803 -0.434 0.000 0.877 508 Q CB -1.692 26.994 28.738 -0.088 0.000 1.250 508 Q HN 0.842 nan 8.270 nan 0.000 0.481 509 Q N 0.305 120.103 119.800 -0.004 0.000 2.327 509 Q HA 0.465 4.831 4.340 0.043 0.000 0.254 509 Q C -0.389 175.887 176.000 0.460 0.000 0.952 509 Q CA 0.029 55.943 55.803 0.186 0.000 0.884 509 Q CB 0.581 29.378 28.738 0.098 0.000 1.224 509 Q HN 0.333 nan 8.270 nan 0.000 0.422 510 Y N -1.708 118.732 120.300 0.233 0.000 2.625 510 Y HA 0.718 5.293 4.550 0.042 0.000 0.338 510 Y C -1.121 174.812 175.900 0.056 0.000 1.123 510 Y CA -1.547 56.700 58.100 0.246 0.000 1.046 510 Y CB 0.497 39.104 38.460 0.244 0.000 1.299 510 Y HN 0.367 nan 8.280 nan 0.000 0.464 511 V N -0.437 119.410 119.914 -0.112 0.000 2.919 511 V HA 0.883 5.029 4.120 0.043 0.000 0.316 511 V C -0.275 175.716 176.094 -0.171 0.000 1.077 511 V CA -0.569 61.507 62.300 -0.373 0.000 0.977 511 V CB 1.353 32.694 31.823 -0.804 0.000 1.039 511 V HN 1.214 nan 8.190 nan 0.000 0.441 512 S N 3.081 118.680 115.700 -0.168 0.000 2.480 512 S HA 0.735 5.231 4.470 0.043 0.000 0.286 512 S C -0.578 173.981 174.600 -0.069 0.000 1.180 512 S CA -0.687 57.493 58.200 -0.034 0.000 1.075 512 S CB 0.811 63.986 63.200 -0.041 0.000 0.996 512 S HN 0.770 nan 8.310 nan 0.000 0.487 513 L N 4.685 125.915 121.223 0.012 0.000 2.276 513 L HA 0.555 4.921 4.340 0.043 0.000 0.286 513 L C 0.353 177.145 176.870 -0.130 0.000 1.024 513 L CA -0.334 54.535 54.840 0.050 0.000 0.826 513 L CB 0.217 42.392 42.059 0.192 0.000 1.211 513 L HN 0.980 nan 8.230 nan 0.000 0.422 514 N N 2.442 121.003 118.700 -0.230 0.000 3.364 514 N HA 0.276 5.042 4.740 0.043 0.000 0.294 514 N C 0.340 175.295 175.510 -0.924 0.000 1.562 514 N CA -0.959 51.668 53.050 -0.704 0.000 0.862 514 N CB 1.207 39.450 38.487 -0.406 0.000 1.691 514 N HN 0.207 nan 8.380 nan 0.000 0.572 515 L N -0.228 120.442 121.223 -0.922 0.000 2.201 515 L HA 0.010 4.376 4.340 0.043 0.000 0.212 515 L C 0.849 177.527 176.870 -0.320 0.000 1.105 515 L CA 1.109 55.537 54.840 -0.686 0.000 0.775 515 L CB -0.532 41.198 42.059 -0.548 0.000 0.913 515 L HN 0.375 nan 8.230 nan 0.000 0.440 516 K N 0.101 120.355 120.400 -0.243 0.000 2.107 516 K HA 0.267 4.613 4.320 0.043 0.000 0.251 516 K C -2.152 174.404 176.600 -0.075 0.000 1.012 516 K CA -1.920 54.291 56.287 -0.128 0.000 0.920 516 K CB 0.050 32.487 32.500 -0.105 0.000 1.033 516 K HN -0.211 nan 8.250 nan 0.000 0.478 517 P HA -0.055 nan 4.420 nan 0.000 0.268 517 P C -0.420 176.880 177.300 0.000 0.000 1.208 517 P CA 0.014 63.121 63.100 0.013 0.000 0.777 517 P CB 0.364 32.072 31.700 0.014 0.000 0.875 518 L N 1.476 122.716 121.223 0.029 0.000 2.559 518 L HA -0.033 4.333 4.340 0.043 0.000 0.282 518 L C 1.102 177.932 176.870 -0.066 0.000 1.232 518 L CA 0.873 55.686 54.840 -0.045 0.000 0.885 518 L CB -0.213 41.808 42.059 -0.062 0.000 1.131 518 L HN 0.500 nan 8.230 nan 0.000 0.498 519 E N 2.874 123.007 120.200 -0.113 0.000 2.234 519 E HA 0.407 4.783 4.350 0.043 0.000 0.266 519 E C -1.502 174.998 176.600 -0.167 0.000 0.877 519 E CA -0.772 55.564 56.400 -0.107 0.000 0.758 519 E CB 2.079 31.723 29.700 -0.094 0.000 1.170 519 E HN 0.296 nan 8.360 nan 0.000 0.415 520 V N 4.990 124.820 119.914 -0.140 0.000 2.461 520 V HA 0.422 4.568 4.120 0.043 0.000 0.275 520 V C 0.349 176.306 176.094 -0.228 0.000 1.047 520 V CA -0.257 61.939 62.300 -0.174 0.000 0.955 520 V CB 0.984 32.764 31.823 -0.072 0.000 0.988 520 V HN 0.676 nan 8.190 nan 0.000 0.471 521 R N 3.890 124.130 120.500 -0.434 0.000 2.919 521 R HA 0.769 5.136 4.340 0.043 0.000 0.260 521 R C -0.833 175.276 176.300 -0.319 0.000 1.067 521 R CA -1.054 54.777 56.100 -0.448 0.000 1.003 521 R CB 2.394 32.267 30.300 -0.712 0.000 1.192 521 R HN 0.590 nan 8.270 nan 0.000 0.488 522 R N -0.279 120.206 120.500 -0.024 0.000 2.621 522 R HA 0.473 4.839 4.340 0.043 0.000 0.292 522 R C -0.869 175.621 176.300 0.317 0.000 0.969 522 R CA -0.547 55.649 56.100 0.159 0.000 0.887 522 R CB 2.271 32.614 30.300 0.073 0.000 1.180 522 R HN 0.891 nan 8.270 nan 0.000 0.450 523 G N 2.262 111.284 108.800 0.370 0.000 3.421 523 G HA2 -0.207 3.779 3.960 0.043 0.000 0.656 523 G HA3 -0.207 3.779 3.960 0.043 0.000 0.656 523 G C -1.083 173.995 174.900 0.296 0.000 1.007 523 G CA -0.822 44.450 45.100 0.286 0.000 0.811 523 G HN 0.394 nan 8.290 nan 0.000 0.433 524 L N 4.220 125.505 121.223 0.104 0.000 2.334 524 L HA 0.578 4.944 4.340 0.043 0.000 0.286 524 L C 1.527 178.394 176.870 -0.004 0.000 1.108 524 L CA -0.432 54.291 54.840 -0.194 0.000 0.875 524 L CB -0.185 41.654 42.059 -0.368 0.000 1.246 524 L HN 0.685 nan 8.230 nan 0.000 0.439 525 R N 3.007 123.549 120.500 0.069 0.000 3.405 525 R HA -0.285 4.081 4.340 0.043 0.000 0.258 525 R C 1.331 177.719 176.300 0.146 0.000 1.030 525 R CA 0.726 56.902 56.100 0.127 0.000 0.691 525 R CB -2.289 28.093 30.300 0.136 0.000 1.093 525 R HN 0.819 nan 8.270 nan 0.000 0.448 526 A N 0.734 123.639 122.820 0.140 0.000 1.884 526 A HA -0.291 4.056 4.320 0.043 0.000 0.219 526 A C 2.086 179.759 177.584 0.148 0.000 1.197 526 A CA 1.612 53.734 52.037 0.140 0.000 0.637 526 A CB -0.171 18.907 19.000 0.130 0.000 0.827 526 A HN 0.408 nan 8.150 nan 0.000 0.450 527 Q N -0.843 119.042 119.800 0.142 0.000 2.050 527 Q HA -0.111 4.255 4.340 0.043 0.000 0.202 527 Q C 2.282 178.402 176.000 0.200 0.000 0.980 527 Q CA 2.091 57.983 55.803 0.150 0.000 0.840 527 Q CB -1.268 27.543 28.738 0.122 0.000 0.898 527 Q HN 0.685 nan 8.270 nan 0.000 0.424 528 T N 0.490 115.179 114.554 0.225 0.000 2.821 528 T HA -0.112 4.264 4.350 0.043 0.000 0.267 528 T C 2.001 176.922 174.700 0.367 0.000 1.046 528 T CA 1.153 63.409 62.100 0.260 0.000 1.139 528 T CB -0.275 68.777 68.868 0.307 0.000 0.871 528 T HN 0.319 nan 8.240 nan 0.000 0.454 529 c N 1.571 120.368 118.600 0.328 0.000 2.448 529 c HA 0.238 4.834 4.570 0.043 0.000 0.280 529 c C 3.097 177.350 174.090 0.272 0.000 1.398 529 c CA 0.016 56.550 56.329 0.341 0.000 1.774 529 c CB -1.405 41.234 42.510 0.215 0.000 1.888 529 c HN 0.637 nan 8.230 nan 0.000 0.519 530 A N 0.162 123.113 122.820 0.218 0.000 1.930 530 A HA -0.158 4.188 4.320 0.043 0.000 0.217 530 A C 1.850 179.546 177.584 0.186 0.000 1.175 530 A CA 1.451 53.593 52.037 0.174 0.000 0.627 530 A CB -0.747 18.341 19.000 0.147 0.000 0.815 530 A HN 0.543 nan 8.150 nan 0.000 0.443 531 F N -0.652 119.303 119.950 0.009 0.000 2.069 531 F HA -0.192 4.363 4.527 0.047 0.000 0.298 531 F C 1.963 177.730 175.800 -0.054 0.000 1.113 531 F CA 1.873 59.803 58.000 -0.115 0.000 1.214 531 F CB -0.594 38.082 39.000 -0.540 0.000 0.978 531 F HN 0.376 nan 8.300 nan 0.000 0.474 532 W N 0.598 121.870 121.300 -0.047 0.000 2.409 532 W HA -0.122 4.564 4.660 0.042 0.000 0.299 532 W C 2.210 178.669 176.519 -0.099 0.000 1.203 532 W CA 1.015 58.279 57.345 -0.136 0.000 1.298 532 W CB -0.638 28.873 29.460 0.084 0.000 1.127 532 W HN -0.027 nan 8.180 nan 0.000 0.528 533 N N -0.314 118.514 118.700 0.214 0.000 2.376 533 N HA 0.013 4.779 4.740 0.043 0.000 0.177 533 N C 1.480 177.026 175.510 0.060 0.000 1.024 533 N CA 0.957 54.077 53.050 0.116 0.000 0.893 533 N CB -0.222 38.332 38.487 0.110 0.000 0.980 533 N HN 0.251 nan 8.380 nan 0.000 0.439 534 R N -1.359 119.179 120.500 0.063 0.000 2.167 534 R HA 0.227 4.594 4.340 0.043 0.000 0.195 534 R C 1.457 177.787 176.300 0.049 0.000 1.027 534 R CA -0.018 56.118 56.100 0.059 0.000 1.114 534 R CB -0.220 30.136 30.300 0.094 0.000 1.075 534 R HN 0.041 nan 8.270 nan 0.000 0.538 535 F N 1.790 121.667 119.950 -0.122 0.000 2.118 535 F HA 0.064 4.617 4.527 0.044 0.000 0.293 535 F C 1.841 177.495 175.800 -0.243 0.000 1.102 535 F CA 1.160 59.063 58.000 -0.162 0.000 1.247 535 F CB -0.261 38.652 39.000 -0.144 0.000 1.017 535 F HN -0.148 nan 8.300 nan 0.000 0.475 536 L N 0.393 121.271 121.223 -0.576 0.000 2.043 536 L HA -0.206 4.160 4.340 0.043 0.000 0.212 536 L C -0.476 176.152 176.870 -0.404 0.000 1.075 536 L CA 1.634 56.106 54.840 -0.614 0.000 0.752 536 L CB -2.040 39.702 42.059 -0.527 0.000 0.891 536 L HN 0.162 nan 8.230 nan 0.000 0.432 537 P HA -0.186 nan 4.420 nan 0.000 0.216 537 P C 1.450 178.628 177.300 -0.202 0.000 1.153 537 P CA 1.295 64.294 63.100 -0.167 0.000 0.848 537 P CB 0.016 31.660 31.700 -0.094 0.000 0.787 538 K N -0.705 119.547 120.400 -0.247 0.000 2.280 538 K HA -0.098 4.248 4.320 0.043 0.000 0.202 538 K C 1.028 177.447 176.600 -0.303 0.000 1.047 538 K CA 0.541 56.696 56.287 -0.221 0.000 0.942 538 K CB -0.537 31.867 32.500 -0.160 0.000 0.739 538 K HN 0.030 nan 8.250 nan 0.000 0.457 539 L N 2.721 123.659 121.223 -0.476 0.000 2.862 539 L HA 0.122 4.488 4.340 0.043 0.000 0.240 539 L C -0.296 176.430 176.870 -0.240 0.000 1.283 539 L CA -0.179 54.408 54.840 -0.422 0.000 1.117 539 L CB -0.764 40.926 42.059 -0.614 0.000 1.444 539 L HN -0.022 nan 8.230 nan 0.000 0.456 540 L N 0.000 121.115 121.223 -0.180 0.000 2.949 540 L HA 0.000 4.366 4.340 0.043 0.000 0.249 540 L CA 0.000 54.770 54.840 -0.117 0.000 0.813 540 L CB 0.000 42.005 42.059 -0.091 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502