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 2xuh_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSAFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.624 176.600 0.040 0.000 1.382 4 E CA 0.000 56.418 56.400 0.030 0.000 0.976 4 E CB 0.000 29.718 29.700 0.030 0.000 0.812 5 D N 6.342 126.774 120.400 0.052 0.000 2.336 5 D HA 0.188 4.838 4.640 0.017 0.000 0.249 5 D C -1.430 174.915 176.300 0.075 0.000 1.213 5 D CA -2.204 51.840 54.000 0.074 0.000 0.870 5 D CB 1.427 42.292 40.800 0.109 0.000 1.076 5 D HN 0.274 nan 8.370 nan 0.000 0.483 6 P HA -0.158 nan 4.420 nan 0.000 0.219 6 P C 1.050 178.376 177.300 0.043 0.000 1.146 6 P CA 0.778 63.902 63.100 0.039 0.000 0.808 6 P CB 0.454 32.164 31.700 0.016 0.000 0.779 7 Q N -0.711 119.111 119.800 0.036 0.000 2.364 7 Q HA 0.040 4.390 4.340 0.017 0.000 0.207 7 Q C 1.768 177.869 176.000 0.169 0.000 0.970 7 Q CA 0.824 56.642 55.803 0.024 0.000 0.888 7 Q CB -0.190 28.444 28.738 -0.173 0.000 0.951 7 Q HN 0.423 nan 8.270 nan 0.000 0.469 8 L N -0.148 121.184 121.223 0.182 0.000 2.769 8 L HA 0.277 4.627 4.340 0.017 0.000 0.240 8 L C 0.162 177.209 176.870 0.296 0.000 1.163 8 L CA -0.093 54.876 54.840 0.215 0.000 0.962 8 L CB 0.506 42.612 42.059 0.080 0.000 1.258 8 L HN -0.036 nan 8.230 nan 0.000 0.513 9 L N 0.951 122.311 121.223 0.228 0.000 2.319 9 L HA 0.529 4.879 4.340 0.017 0.000 0.281 9 L C -0.928 175.996 176.870 0.091 0.000 1.005 9 L CA -0.420 54.523 54.840 0.171 0.000 0.828 9 L CB 2.194 44.310 42.059 0.095 0.000 1.227 9 L HN -0.192 nan 8.230 nan 0.000 0.415 10 V N 3.872 123.813 119.914 0.045 0.000 2.680 10 V HA 0.469 4.600 4.120 0.017 0.000 0.309 10 V C -0.245 175.777 176.094 -0.120 0.000 1.052 10 V CA -0.798 61.382 62.300 -0.200 0.000 0.908 10 V CB 2.286 33.711 31.823 -0.663 0.000 1.001 10 V HN 0.672 nan 8.190 nan 0.000 0.431 11 R N 3.495 123.898 120.500 -0.162 0.000 2.215 11 R HA 0.661 5.011 4.340 0.017 0.000 0.337 11 R C -0.626 175.581 176.300 -0.155 0.000 1.010 11 R CA -0.346 55.690 56.100 -0.105 0.000 0.871 11 R CB 1.213 31.458 30.300 -0.091 0.000 1.134 11 R HN 0.704 nan 8.270 nan 0.000 0.477 12 V N 1.987 121.859 119.914 -0.070 0.000 3.109 12 V HA 0.425 4.555 4.120 0.017 0.000 0.317 12 V C 1.442 177.467 176.094 -0.116 0.000 1.074 12 V CA -0.842 61.417 62.300 -0.068 0.000 1.033 12 V CB 1.588 33.512 31.823 0.169 0.000 1.111 12 V HN 0.897 nan 8.190 nan 0.000 0.458 13 R N 1.447 121.866 120.500 -0.135 0.000 2.154 13 R HA -0.091 4.259 4.340 0.017 0.000 0.248 13 R C 1.596 177.773 176.300 -0.206 0.000 1.155 13 R CA 2.187 58.200 56.100 -0.145 0.000 0.979 13 R CB -0.715 29.513 30.300 -0.121 0.000 0.869 13 R HN 1.052 nan 8.270 nan 0.000 0.452 14 G N -1.706 106.906 108.800 -0.314 0.000 3.393 14 G HA2 0.479 4.450 3.960 0.017 0.000 0.255 14 G HA3 0.479 4.450 3.960 0.017 0.000 0.255 14 G C -0.100 173.887 174.900 -1.522 0.000 1.097 14 G CA 0.171 44.861 45.100 -0.684 0.000 0.780 14 G HN 0.640 nan 8.290 nan 0.000 0.540 15 G N -0.641 107.566 108.800 -0.988 0.000 2.359 15 G HA2 0.083 4.053 3.960 0.017 0.000 0.303 15 G HA3 0.083 4.053 3.960 0.017 0.000 0.303 15 G C -1.074 173.758 174.900 -0.115 0.000 1.293 15 G CA -1.050 43.544 45.100 -0.842 0.000 0.964 15 G HN 0.285 nan 8.290 nan 0.000 0.531 16 Q N -0.603 119.296 119.800 0.166 0.000 2.259 16 Q HA 0.692 5.042 4.340 0.017 0.000 0.249 16 Q C -0.205 176.091 176.000 0.493 0.000 0.914 16 Q CA -0.198 55.775 55.803 0.283 0.000 0.904 16 Q CB 1.560 30.402 28.738 0.173 0.000 1.213 16 Q HN 0.460 nan 8.270 nan 0.000 0.428 17 L N 1.518 122.949 121.223 0.346 0.000 2.341 17 L HA 0.628 4.978 4.340 0.017 0.000 0.267 17 L C -0.449 176.600 176.870 0.298 0.000 1.009 17 L CA -0.829 54.215 54.840 0.339 0.000 0.819 17 L CB 2.103 44.398 42.059 0.393 0.000 1.323 17 L HN 0.456 nan 8.230 nan 0.000 0.425 18 R N 0.609 121.260 120.500 0.252 0.000 2.439 18 R HA 0.619 4.969 4.340 0.017 0.000 0.310 18 R C -0.415 175.962 176.300 0.128 0.000 0.955 18 R CA -0.338 55.879 56.100 0.195 0.000 0.853 18 R CB 1.826 32.181 30.300 0.092 0.000 1.171 18 R HN 0.828 nan 8.270 nan 0.000 0.449 19 G N 3.211 112.008 108.800 -0.006 0.000 2.568 19 G HA2 0.489 4.459 3.960 0.017 0.000 0.293 19 G HA3 0.489 4.459 3.960 0.017 0.000 0.293 19 G C -0.963 173.716 174.900 -0.368 0.000 1.347 19 G CA -0.695 44.082 45.100 -0.538 0.000 1.039 19 G HN 0.593 nan 8.290 nan 0.000 0.523 20 I N -0.976 119.331 120.570 -0.438 0.000 2.582 20 I HA 0.546 4.726 4.170 0.017 0.000 0.292 20 I C -0.095 175.872 176.117 -0.250 0.000 1.066 20 I CA -1.186 59.953 61.300 -0.269 0.000 1.053 20 I CB 2.079 39.938 38.000 -0.236 0.000 1.241 20 I HN 0.502 nan 8.210 nan 0.000 0.421 21 R N 7.587 127.975 120.500 -0.186 0.000 2.316 21 R HA 0.508 4.858 4.340 0.017 0.000 0.314 21 R C -1.642 174.543 176.300 -0.192 0.000 1.069 21 R CA -0.215 55.754 56.100 -0.217 0.000 0.959 21 R CB 0.497 30.606 30.300 -0.319 0.000 0.987 21 R HN 0.674 nan 8.270 nan 0.000 0.446 22 L N 3.752 124.882 121.223 -0.155 0.000 2.334 22 L HA 0.439 4.789 4.340 0.017 0.000 0.270 22 L C -0.062 176.730 176.870 -0.129 0.000 1.018 22 L CA -0.979 53.790 54.840 -0.118 0.000 0.811 22 L CB 1.689 43.714 42.059 -0.057 0.000 1.271 22 L HN 0.596 nan 8.230 nan 0.000 0.443 23 K N 1.812 122.143 120.400 -0.114 0.000 2.248 23 K HA 0.669 4.999 4.320 0.017 0.000 0.281 23 K C -0.878 175.656 176.600 -0.111 0.000 1.054 23 K CA -0.335 55.890 56.287 -0.104 0.000 0.903 23 K CB 1.389 33.841 32.500 -0.080 0.000 1.077 23 K HN 0.693 nan 8.250 nan 0.000 0.474 24 A N 4.960 127.717 122.820 -0.105 0.000 2.330 24 A HA 0.508 4.838 4.320 0.017 0.000 0.329 24 A C -1.863 175.717 177.584 -0.006 0.000 1.135 24 A CA -1.734 50.234 52.037 -0.115 0.000 0.817 24 A CB 0.830 19.736 19.000 -0.156 0.000 1.269 24 A HN 0.742 nan 8.150 nan 0.000 0.469 25 P HA -0.131 nan 4.420 nan 0.000 0.218 25 P C 1.204 178.533 177.300 0.048 0.000 1.148 25 P CA 2.075 65.221 63.100 0.077 0.000 0.822 25 P CB 0.088 31.862 31.700 0.123 0.000 0.784 26 G N -1.423 107.407 108.800 0.051 0.000 2.939 26 G HA2 0.425 4.395 3.960 0.017 0.000 0.210 26 G HA3 0.425 4.395 3.960 0.017 0.000 0.210 26 G C 0.591 175.508 174.900 0.028 0.000 1.160 26 G CA 0.546 45.669 45.100 0.039 0.000 0.770 26 G HN 0.676 nan 8.290 nan 0.000 0.543 27 G N -0.627 108.182 108.800 0.015 0.000 2.320 27 G HA2 0.411 4.381 3.960 0.017 0.000 0.297 27 G HA3 0.411 4.381 3.960 0.017 0.000 0.297 27 G C -3.369 171.519 174.900 -0.021 0.000 1.344 27 G CA -0.747 44.358 45.100 0.009 0.000 0.851 27 G HN 0.012 nan 8.290 nan 0.000 0.567 28 P HA 0.494 nan 4.420 nan 0.000 0.274 28 P C -0.056 177.234 177.300 -0.018 0.000 1.237 28 P CA -0.168 62.847 63.100 -0.142 0.000 0.793 28 P CB 1.612 33.067 31.700 -0.408 0.000 0.977 29 V N -1.699 118.199 119.914 -0.027 0.000 2.962 29 V HA 0.594 4.724 4.120 0.017 0.000 0.313 29 V C -0.379 175.792 176.094 0.128 0.000 1.099 29 V CA -0.867 61.507 62.300 0.125 0.000 0.971 29 V CB 1.859 33.762 31.823 0.135 0.000 1.028 29 V HN 0.416 nan 8.190 nan 0.000 0.430 30 S N 2.363 118.213 115.700 0.251 0.000 2.475 30 S HA 0.816 5.296 4.470 0.017 0.000 0.281 30 S C 0.109 174.707 174.600 -0.003 0.000 1.198 30 S CA 0.091 58.376 58.200 0.143 0.000 1.063 30 S CB 1.032 64.432 63.200 0.333 0.000 0.972 30 S HN 1.556 nan 8.310 nan 0.000 0.486 31 A N 3.084 125.705 122.820 -0.332 0.000 2.343 31 A HA 0.798 5.129 4.320 0.017 0.000 0.316 31 A C -1.138 175.989 177.584 -0.761 0.000 1.104 31 A CA -0.646 51.099 52.037 -0.486 0.000 0.768 31 A CB 0.453 19.165 19.000 -0.480 0.000 1.213 31 A HN 0.675 nan 8.150 nan 0.000 0.456 32 F N 2.878 122.650 119.950 -0.297 0.000 2.359 32 F HA 0.469 5.006 4.527 0.017 0.000 0.369 32 F C -0.213 175.392 175.800 -0.325 0.000 1.084 32 F CA -0.394 57.499 58.000 -0.177 0.000 1.096 32 F CB 1.130 40.169 39.000 0.065 0.000 1.335 32 F HN 0.341 nan 8.300 nan 0.000 0.457 33 L N 2.173 123.234 121.223 -0.270 0.000 2.309 33 L HA 0.773 5.123 4.340 0.017 0.000 0.282 33 L C 0.860 177.632 176.870 -0.163 0.000 1.036 33 L CA -1.035 53.598 54.840 -0.344 0.000 0.806 33 L CB 1.583 43.219 42.059 -0.705 0.000 1.220 33 L HN 0.812 nan 8.230 nan 0.000 0.429 34 G N 3.076 111.845 108.800 -0.051 0.000 2.248 34 G HA2 -0.224 3.746 3.960 0.017 0.000 0.252 34 G HA3 -0.224 3.746 3.960 0.017 0.000 0.252 34 G C -0.288 174.645 174.900 0.054 0.000 1.085 34 G CA -0.502 44.574 45.100 -0.040 0.000 0.845 34 G HN 0.484 nan 8.290 nan 0.000 0.494 35 I N 2.071 122.695 120.570 0.090 0.000 2.352 35 I HA 0.256 4.436 4.170 0.017 0.000 0.290 35 I C -1.493 174.678 176.117 0.089 0.000 1.036 35 I CA -2.288 59.032 61.300 0.034 0.000 1.336 35 I CB 1.194 39.141 38.000 -0.089 0.000 1.407 35 I HN -0.026 nan 8.210 nan 0.000 0.497 36 P HA 0.025 nan 4.420 nan 0.000 0.271 36 P C -0.249 176.969 177.300 -0.138 0.000 1.220 36 P CA 0.102 63.062 63.100 -0.233 0.000 0.768 36 P CB 0.404 31.989 31.700 -0.191 0.000 0.848 37 F N 0.846 120.617 119.950 -0.299 0.000 2.746 37 F HA 0.734 5.271 4.527 0.017 0.000 0.320 37 F C 0.017 175.800 175.800 -0.028 0.000 1.097 37 F CA -0.767 57.133 58.000 -0.168 0.000 1.195 37 F CB 0.236 39.039 39.000 -0.328 0.000 1.056 37 F HN 0.331 nan 8.300 nan 0.000 0.562 38 A N 0.151 122.657 122.820 -0.523 0.000 2.594 38 A HA 0.551 4.882 4.320 0.017 0.000 0.295 38 A C -0.858 176.546 177.584 -0.300 0.000 1.071 38 A CA -0.792 51.050 52.037 -0.326 0.000 0.685 38 A CB 0.983 19.746 19.000 -0.395 0.000 1.285 38 A HN 0.080 nan 8.150 nan 0.000 0.405 39 E N 1.475 121.590 120.200 -0.142 0.000 2.465 39 E HA 0.170 4.530 4.350 0.017 0.000 0.260 39 E C -2.276 174.227 176.600 -0.162 0.000 0.980 39 E CA -1.074 55.261 56.400 -0.108 0.000 0.927 39 E CB -0.101 29.574 29.700 -0.041 0.000 0.934 39 E HN 0.236 nan 8.360 nan 0.000 0.459 40 P HA -0.018 nan 4.420 nan 0.000 0.261 40 P C -2.191 175.044 177.300 -0.110 0.000 1.183 40 P CA -0.695 62.316 63.100 -0.148 0.000 0.761 40 P CB -0.065 31.586 31.700 -0.082 0.000 0.785 41 P HA 0.014 nan 4.420 nan 0.000 0.218 41 P C -0.312 176.930 177.300 -0.097 0.000 1.793 41 P CA 0.068 63.114 63.100 -0.090 0.000 0.941 41 P CB -0.135 31.516 31.700 -0.083 0.000 1.919 42 V N -2.755 117.107 119.914 -0.086 0.000 2.850 42 V HA 0.886 5.016 4.120 0.017 0.000 0.315 42 V C 1.015 177.066 176.094 -0.073 0.000 1.064 42 V CA 0.205 62.451 62.300 -0.089 0.000 0.979 42 V CB 0.829 32.607 31.823 -0.075 0.000 1.039 42 V HN 0.534 nan 8.190 nan 0.000 0.452 43 G N 2.950 111.705 108.800 -0.076 0.000 2.601 43 G HA2 -0.367 3.603 3.960 0.017 0.000 0.306 43 G HA3 -0.367 3.603 3.960 0.017 0.000 0.306 43 G C 1.309 176.179 174.900 -0.050 0.000 1.172 43 G CA 1.680 46.748 45.100 -0.053 0.000 0.966 43 G HN 2.335 nan 8.290 nan 0.000 0.542 44 S N 0.600 116.284 115.700 -0.027 0.000 2.489 44 S HA 0.108 4.589 4.470 0.017 0.000 0.228 44 S C 2.010 176.604 174.600 -0.010 0.000 0.995 44 S CA 1.372 59.568 58.200 -0.008 0.000 0.934 44 S CB -0.044 63.159 63.200 0.005 0.000 0.771 44 S HN 0.680 nan 8.310 nan 0.000 0.522 45 R N 0.805 121.287 120.500 -0.030 0.000 2.299 45 R HA 0.223 4.574 4.340 0.017 0.000 0.197 45 R C 0.947 177.211 176.300 -0.061 0.000 0.971 45 R CA -0.137 55.946 56.100 -0.028 0.000 1.030 45 R CB -0.084 30.198 30.300 -0.030 0.000 0.932 45 R HN 0.381 nan 8.270 nan 0.000 0.477 46 R N 0.836 121.253 120.500 -0.138 0.000 2.538 46 R HA -0.140 4.210 4.340 0.017 0.000 0.282 46 R C -0.375 175.750 176.300 -0.292 0.000 1.009 46 R CA 0.648 56.548 56.100 -0.333 0.000 1.063 46 R CB 0.130 30.098 30.300 -0.554 0.000 0.945 46 R HN 0.118 nan 8.270 nan 0.000 0.414 47 F N -0.847 119.124 119.950 0.035 0.000 2.619 47 F HA -0.311 4.226 4.527 0.017 0.000 0.425 47 F C 0.214 176.009 175.800 -0.007 0.000 0.575 47 F CA 0.628 58.625 58.000 -0.006 0.000 1.289 47 F CB -1.727 37.259 39.000 -0.024 0.000 1.859 47 F HN 0.493 nan 8.300 nan 0.000 0.280 48 M N 1.153 120.830 119.600 0.128 0.000 2.359 48 M HA 0.393 4.883 4.480 0.017 0.000 0.322 48 M C -1.966 174.368 176.300 0.058 0.000 1.166 48 M CA -1.451 53.901 55.300 0.087 0.000 1.067 48 M CB 0.707 33.344 32.600 0.062 0.000 1.523 48 M HN -0.366 nan 8.290 nan 0.000 0.467 49 P HA 0.090 nan 4.420 nan 0.000 0.267 49 P C -2.457 174.873 177.300 0.050 0.000 1.200 49 P CA -0.616 62.519 63.100 0.059 0.000 0.772 49 P CB -0.474 31.270 31.700 0.073 0.000 0.855 50 P HA 0.150 nan 4.420 nan 0.000 0.272 50 P C -0.659 176.673 177.300 0.054 0.000 1.223 50 P CA 0.134 63.258 63.100 0.039 0.000 0.784 50 P CB 0.803 32.542 31.700 0.064 0.000 0.923 51 E N 2.239 122.457 120.200 0.030 0.000 2.207 51 E HA 0.398 4.758 4.350 0.017 0.000 0.270 51 E C -2.225 174.410 176.600 0.059 0.000 0.927 51 E CA -2.396 54.034 56.400 0.050 0.000 0.799 51 E CB 0.639 30.360 29.700 0.036 0.000 1.172 51 E HN 0.379 nan 8.360 nan 0.000 0.404 52 P HA -0.045 nan 4.420 nan 0.000 0.265 52 P C -0.662 176.706 177.300 0.112 0.000 1.193 52 P CA -0.219 62.962 63.100 0.135 0.000 0.765 52 P CB 0.487 32.276 31.700 0.149 0.000 0.823 53 K N 3.973 124.457 120.400 0.140 0.000 2.484 53 K HA 0.000 4.331 4.320 0.017 0.000 0.280 53 K C 0.250 176.966 176.600 0.192 0.000 1.013 53 K CA 0.326 56.700 56.287 0.145 0.000 1.029 53 K CB 0.075 32.693 32.500 0.198 0.000 0.902 53 K HN 0.275 nan 8.250 nan 0.000 0.481 54 R N 4.969 125.565 120.500 0.158 0.000 2.643 54 R HA 0.137 4.487 4.340 0.017 0.000 0.270 54 R C -1.970 174.452 176.300 0.202 0.000 1.061 54 R CA -1.564 54.620 56.100 0.141 0.000 1.107 54 R CB -0.015 30.349 30.300 0.106 0.000 0.999 54 R HN 0.576 nan 8.270 nan 0.000 0.460 55 P HA -0.112 nan 4.420 nan 0.000 0.266 55 P C -1.179 176.172 177.300 0.086 0.000 1.193 55 P CA 0.315 63.369 63.100 -0.077 0.000 0.770 55 P CB 0.282 31.907 31.700 -0.125 0.000 0.836 56 W N 0.934 122.270 121.300 0.060 0.000 2.799 56 W HA 0.682 5.352 4.660 0.017 0.000 0.349 56 W C -0.635 175.911 176.519 0.045 0.000 1.100 56 W CA -0.991 56.386 57.345 0.053 0.000 1.174 56 W CB 0.143 29.643 29.460 0.066 0.000 1.427 56 W HN 0.371 nan 8.180 nan 0.000 0.547 57 S N 1.436 117.300 115.700 0.273 0.000 2.646 57 S HA 0.785 5.265 4.470 0.017 0.000 0.276 57 S C 0.723 175.466 174.600 0.238 0.000 1.222 57 S CA 0.003 58.301 58.200 0.163 0.000 1.014 57 S CB 0.861 64.127 63.200 0.110 0.000 0.991 57 S HN 2.056 nan 8.310 nan 0.000 0.533 58 G N 0.411 109.301 108.800 0.150 0.000 2.594 58 G HA2 -0.211 3.760 3.960 0.017 0.000 0.297 58 G HA3 -0.211 3.760 3.960 0.017 0.000 0.297 58 G C -0.470 174.572 174.900 0.238 0.000 1.273 58 G CA 0.061 45.251 45.100 0.151 0.000 0.974 58 G HN 1.714 nan 8.290 nan 0.000 0.552 59 V N 0.614 120.649 119.914 0.201 0.000 2.378 59 V HA 0.551 4.681 4.120 0.017 0.000 0.288 59 V C 0.368 176.558 176.094 0.160 0.000 1.016 59 V CA -0.520 61.907 62.300 0.211 0.000 0.840 59 V CB 1.283 33.185 31.823 0.132 0.000 0.994 59 V HN 0.784 nan 8.190 nan 0.000 0.431 60 L N 4.280 125.597 121.223 0.156 0.000 2.367 60 L HA 0.318 4.668 4.340 0.017 0.000 0.275 60 L C 0.604 177.453 176.870 -0.036 0.000 1.129 60 L CA 0.489 55.269 54.840 -0.101 0.000 0.839 60 L CB 0.736 42.462 42.059 -0.554 0.000 1.133 60 L HN 0.718 nan 8.230 nan 0.000 0.453 61 D N 4.777 125.138 120.400 -0.065 0.000 2.342 61 D HA 0.129 4.779 4.640 0.017 0.000 0.260 61 D C -0.473 175.782 176.300 -0.076 0.000 1.278 61 D CA 0.156 54.124 54.000 -0.053 0.000 0.910 61 D CB 1.030 41.790 40.800 -0.067 0.000 1.079 61 D HN 0.678 nan 8.370 nan 0.000 0.496 62 A N 3.261 126.062 122.820 -0.032 0.000 3.041 62 A HA 0.196 4.526 4.320 0.017 0.000 0.307 62 A C 0.942 178.454 177.584 -0.120 0.000 1.116 62 A CA -0.502 51.513 52.037 -0.037 0.000 1.001 62 A CB -0.115 18.957 19.000 0.119 0.000 1.112 62 A HN 0.518 nan 8.150 nan 0.000 0.556 63 T N -3.832 110.627 114.554 -0.160 0.000 3.134 63 T HA 0.362 4.722 4.350 0.017 0.000 0.260 63 T C 0.281 174.824 174.700 -0.261 0.000 1.027 63 T CA 0.197 62.168 62.100 -0.214 0.000 0.913 63 T CB 0.140 68.912 68.868 -0.160 0.000 1.046 63 T HN 0.216 nan 8.240 nan 0.000 0.553 64 T N 1.097 115.484 114.554 -0.278 0.000 3.041 64 T HA 0.532 4.892 4.350 0.017 0.000 0.321 64 T C -1.447 173.105 174.700 -0.247 0.000 1.184 64 T CA -0.658 61.286 62.100 -0.260 0.000 1.050 64 T CB 0.648 69.419 68.868 -0.162 0.000 1.159 64 T HN 0.114 nan 8.240 nan 0.000 0.469 65 F N 2.860 122.739 119.950 -0.118 0.000 2.553 65 F HA 0.457 4.995 4.527 0.017 0.000 0.356 65 F C 0.867 176.569 175.800 -0.164 0.000 1.142 65 F CA -0.004 57.928 58.000 -0.113 0.000 1.322 65 F CB 0.714 39.674 39.000 -0.067 0.000 1.126 65 F HN 0.458 nan 8.300 nan 0.000 0.599 66 Q N 1.548 121.376 119.800 0.047 0.000 2.385 66 Q HA 0.366 4.717 4.340 0.017 0.000 0.262 66 Q C -0.675 175.251 176.000 -0.124 0.000 1.050 66 Q CA -0.803 54.870 55.803 -0.217 0.000 0.903 66 Q CB 0.799 29.176 28.738 -0.602 0.000 1.325 66 Q HN 0.494 nan 8.270 nan 0.000 0.485 67 N N -0.421 118.182 118.700 -0.162 0.000 2.329 67 N HA 0.019 4.769 4.740 0.017 0.000 0.237 67 N C -0.948 174.544 175.510 -0.030 0.000 1.258 67 N CA 0.158 53.163 53.050 -0.075 0.000 0.866 67 N CB 0.304 38.761 38.487 -0.051 0.000 1.102 67 N HN 0.340 nan 8.380 nan 0.000 0.440 68 V N 1.933 121.804 119.914 -0.072 0.000 2.465 68 V HA 0.074 4.205 4.120 0.017 0.000 0.279 68 V C 0.490 176.538 176.094 -0.077 0.000 1.045 68 V CA -0.826 61.419 62.300 -0.092 0.000 0.938 68 V CB 0.965 32.692 31.823 -0.161 0.000 0.986 68 V HN 0.731 nan 8.190 nan 0.000 0.467 69 c N 4.963 123.539 118.600 -0.040 0.000 2.563 69 c HA 0.015 4.595 4.570 0.017 0.000 0.411 69 c C 0.561 174.622 174.090 -0.050 0.000 1.386 69 c CA -0.478 55.837 56.329 -0.023 0.000 1.703 69 c CB -1.220 41.308 42.510 0.029 0.000 2.596 69 c HN 0.751 nan 8.230 nan 0.000 0.605 70 Y N 4.315 124.495 120.300 -0.199 0.000 2.721 70 Y HA 0.203 4.763 4.550 0.017 0.000 0.329 70 Y C 0.842 176.762 175.900 0.035 0.000 1.211 70 Y CA 1.044 59.026 58.100 -0.197 0.000 1.512 70 Y CB 0.120 38.271 38.460 -0.515 0.000 1.249 70 Y HN 0.752 nan 8.280 nan 0.000 0.549 71 Q N 4.332 124.149 119.800 0.028 0.000 2.522 71 Q HA 0.211 4.562 4.340 0.017 0.000 0.285 71 Q C -1.763 174.339 176.000 0.169 0.000 0.982 71 Q CA -1.234 54.701 55.803 0.221 0.000 0.805 71 Q CB 1.228 30.039 28.738 0.122 0.000 1.457 71 Q HN 0.660 nan 8.270 nan 0.000 0.394 72 Y N 1.172 121.587 120.300 0.191 0.000 2.702 72 Y HA 0.314 4.874 4.550 0.017 0.000 0.336 72 Y C -1.010 174.923 175.900 0.054 0.000 1.235 72 Y CA 0.303 58.470 58.100 0.112 0.000 1.492 72 Y CB 0.849 39.358 38.460 0.081 0.000 1.308 72 Y HN 0.441 nan 8.280 nan 0.000 0.589 73 V N 6.929 126.423 119.914 -0.700 0.000 2.417 73 V HA 0.101 4.231 4.120 0.017 0.000 0.291 73 V C -0.445 175.113 176.094 -0.893 0.000 1.024 73 V CA -0.991 60.971 62.300 -0.563 0.000 0.861 73 V CB 1.422 33.040 31.823 -0.341 0.000 0.985 73 V HN 0.820 nan 8.190 nan 0.000 0.436 74 D N 3.072 123.215 120.400 -0.430 0.000 2.455 74 D HA 0.228 4.878 4.640 0.017 0.000 0.241 74 D C 0.961 177.211 176.300 -0.084 0.000 1.138 74 D CA 0.784 54.696 54.000 -0.146 0.000 0.877 74 D CB 1.095 41.999 40.800 0.174 0.000 1.187 74 D HN 0.779 nan 8.370 nan 0.000 0.451 75 T N 0.805 115.359 114.554 -0.001 0.000 3.087 75 T HA 0.016 4.376 4.350 0.017 0.000 0.283 75 T C 1.401 176.109 174.700 0.012 0.000 0.956 75 T CA -0.459 61.640 62.100 -0.001 0.000 0.894 75 T CB -0.117 68.730 68.868 -0.035 0.000 1.160 75 T HN 0.272 nan 8.240 nan 0.000 0.532 76 L N 0.976 122.210 121.223 0.019 0.000 2.012 76 L HA 0.171 4.521 4.340 0.017 0.000 0.210 76 L C -0.195 176.423 176.870 -0.420 0.000 1.073 76 L CA 1.664 56.362 54.840 -0.237 0.000 0.748 76 L CB -0.489 41.352 42.059 -0.364 0.000 0.891 76 L HN 0.409 nan 8.230 nan 0.000 0.431 77 Y N 0.706 121.058 120.300 0.086 0.000 2.748 77 Y HA 0.420 4.980 4.550 0.017 0.000 0.359 77 Y C -2.198 173.753 175.900 0.084 0.000 1.030 77 Y CA -3.584 54.541 58.100 0.043 0.000 1.169 77 Y CB -0.310 38.135 38.460 -0.025 0.000 1.127 77 Y HN 0.116 nan 8.280 nan 0.000 0.644 78 P HA 0.149 nan 4.420 nan 0.000 0.267 78 P C 1.043 178.400 177.300 0.094 0.000 1.205 78 P CA 1.261 64.418 63.100 0.096 0.000 0.765 78 P CB 1.431 33.156 31.700 0.043 0.000 0.828 79 G N 2.689 111.525 108.800 0.060 0.000 2.268 79 G HA2 -0.290 3.680 3.960 0.017 0.000 0.240 79 G HA3 -0.290 3.680 3.960 0.017 0.000 0.240 79 G C -0.080 174.842 174.900 0.036 0.000 1.010 79 G CA -0.095 45.021 45.100 0.027 0.000 0.618 79 G HN 0.578 nan 8.290 nan 0.000 0.516 80 F N 2.544 122.450 119.950 -0.074 0.000 2.495 80 F HA 0.565 5.102 4.527 0.017 0.000 0.365 80 F C 1.322 177.019 175.800 -0.173 0.000 1.090 80 F CA 0.327 58.235 58.000 -0.153 0.000 1.235 80 F CB 0.909 39.788 39.000 -0.201 0.000 1.119 80 F HN 0.230 nan 8.300 nan 0.000 0.562 81 E N 3.447 123.095 120.200 -0.919 0.000 2.106 81 E HA -0.067 4.293 4.350 0.017 0.000 0.192 81 E C 2.209 178.227 176.600 -0.970 0.000 0.984 81 E CA 1.124 57.056 56.400 -0.781 0.000 0.806 81 E CB -0.316 29.040 29.700 -0.573 0.000 0.750 81 E HN 1.032 nan 8.360 nan 0.000 0.458 82 G N -0.006 107.657 108.800 -1.895 0.000 2.462 82 G HA2 -0.319 3.651 3.960 0.017 0.000 0.220 82 G HA3 -0.319 3.651 3.960 0.017 0.000 0.220 82 G C 1.655 176.510 174.900 -0.074 0.000 1.121 82 G CA 1.678 46.116 45.100 -1.104 0.000 0.758 82 G HN 0.449 nan 8.290 nan 0.000 0.559 83 T N -2.384 112.092 114.554 -0.130 0.000 3.021 83 T HA 0.132 4.492 4.350 0.017 0.000 0.245 83 T C 1.921 176.709 174.700 0.146 0.000 1.028 83 T CA 0.783 63.104 62.100 0.368 0.000 1.139 83 T CB 0.013 69.183 68.868 0.503 0.000 0.884 83 T HN 0.099 nan 8.240 nan 0.000 0.457 84 E N 2.250 122.404 120.200 -0.075 0.000 2.204 84 E HA -0.103 4.257 4.350 0.017 0.000 0.195 84 E C 2.225 178.692 176.600 -0.223 0.000 0.990 84 E CA 1.348 57.675 56.400 -0.122 0.000 0.821 84 E CB -0.496 29.108 29.700 -0.160 0.000 0.750 84 E HN 0.805 nan 8.360 nan 0.000 0.477 85 M N -2.403 116.968 119.600 -0.382 0.000 2.446 85 M HA -0.077 4.413 4.480 0.017 0.000 0.263 85 M C 1.206 177.051 176.300 -0.758 0.000 1.066 85 M CA 1.369 56.291 55.300 -0.631 0.000 1.087 85 M CB -0.464 31.646 32.600 -0.817 0.000 1.406 85 M HN 0.011 nan 8.290 nan 0.000 0.459 86 W N 0.615 121.823 121.300 -0.154 0.000 3.013 86 W HA 0.293 4.962 4.660 0.016 0.000 0.280 86 W C 0.516 176.928 176.519 -0.178 0.000 1.249 86 W CA -0.940 56.303 57.345 -0.170 0.000 1.577 86 W CB -0.064 29.340 29.460 -0.094 0.000 1.057 86 W HN 0.089 nan 8.180 nan 0.000 0.613 87 N N 1.646 120.348 118.700 0.003 0.000 2.415 87 N HA 0.101 4.851 4.740 0.017 0.000 0.248 87 N C -2.410 173.015 175.510 -0.141 0.000 1.271 87 N CA -1.233 51.779 53.050 -0.064 0.000 0.913 87 N CB -0.101 38.341 38.487 -0.075 0.000 1.129 87 N HN -0.332 nan 8.380 nan 0.000 0.444 88 P HA 0.035 nan 4.420 nan 0.000 0.264 88 P C 0.172 177.363 177.300 -0.181 0.000 1.183 88 P CA 0.116 63.103 63.100 -0.189 0.000 0.763 88 P CB 0.304 31.887 31.700 -0.195 0.000 0.807 89 N N 2.266 120.849 118.700 -0.196 0.000 2.204 89 N HA 0.095 4.846 4.740 0.017 0.000 0.219 89 N C 0.195 175.621 175.510 -0.141 0.000 1.151 89 N CA -0.035 52.911 53.050 -0.173 0.000 0.867 89 N CB 0.417 38.785 38.487 -0.199 0.000 1.043 89 N HN 0.155 nan 8.380 nan 0.000 0.516 90 R N -0.207 120.208 120.500 -0.141 0.000 2.906 90 R HA 0.351 4.701 4.340 0.017 0.000 0.258 90 R C -0.817 175.413 176.300 -0.117 0.000 1.156 90 R CA -0.715 55.320 56.100 -0.108 0.000 0.996 90 R CB 0.369 30.615 30.300 -0.090 0.000 1.259 90 R HN 0.088 nan 8.270 nan 0.000 0.462 91 E N 0.961 121.102 120.200 -0.098 0.000 2.373 91 E HA 0.169 4.529 4.350 0.017 0.000 0.267 91 E C -0.403 176.127 176.600 -0.117 0.000 1.032 91 E CA -0.003 56.338 56.400 -0.098 0.000 0.889 91 E CB 0.463 30.119 29.700 -0.072 0.000 0.984 91 E HN 0.267 nan 8.360 nan 0.000 0.425 92 L N 2.893 124.023 121.223 -0.155 0.000 2.397 92 L HA 0.369 4.719 4.340 0.017 0.000 0.271 92 L C 0.262 177.107 176.870 -0.041 0.000 1.148 92 L CA -0.139 54.572 54.840 -0.215 0.000 0.825 92 L CB 0.945 42.670 42.059 -0.556 0.000 1.117 92 L HN 0.426 nan 8.230 nan 0.000 0.456 93 S N 0.749 116.460 115.700 0.018 0.000 2.558 93 S HA 0.167 4.647 4.470 0.017 0.000 0.277 93 S C 0.177 174.776 174.600 -0.002 0.000 1.143 93 S CA -0.680 57.558 58.200 0.063 0.000 0.865 93 S CB 1.502 64.709 63.200 0.011 0.000 1.102 93 S HN 0.749 nan 8.310 nan 0.000 0.454 94 E N 1.054 121.197 120.200 -0.094 0.000 2.274 94 E HA -0.074 4.286 4.350 0.017 0.000 0.194 94 E C -0.241 176.298 176.600 -0.102 0.000 0.996 94 E CA 0.524 56.803 56.400 -0.203 0.000 0.840 94 E CB 0.070 29.588 29.700 -0.303 0.000 0.772 94 E HN 0.553 nan 8.360 nan 0.000 0.491 95 D N 0.485 120.862 120.400 -0.040 0.000 2.470 95 D HA -0.011 4.639 4.640 0.017 0.000 0.226 95 D C 0.096 176.483 176.300 0.144 0.000 1.196 95 D CA -0.268 53.744 54.000 0.021 0.000 0.979 95 D CB -0.109 40.716 40.800 0.041 0.000 1.059 95 D HN 0.139 nan 8.370 nan 0.000 0.515 96 c N 2.179 120.832 118.600 0.088 0.000 3.865 96 c HA 0.351 4.931 4.570 0.017 0.000 0.297 96 c C 0.834 174.985 174.090 0.101 0.000 1.758 96 c CA -0.666 55.783 56.329 0.200 0.000 1.778 96 c CB -1.270 41.294 42.510 0.091 0.000 3.158 96 c HN 0.432 nan 8.230 nan 0.000 0.598 97 L N 2.540 123.560 121.223 -0.339 0.000 2.400 97 L HA 0.299 4.649 4.340 0.017 0.000 0.262 97 L C -0.928 175.262 176.870 -1.133 0.000 1.309 97 L CA 0.785 55.190 54.840 -0.725 0.000 1.186 97 L CB -0.920 40.597 42.059 -0.904 0.000 1.375 97 L HN 0.424 nan 8.230 nan 0.000 0.433 98 Y N 1.629 121.910 120.300 -0.032 0.000 2.512 98 Y HA 0.604 5.164 4.550 0.017 0.000 0.348 98 Y C -0.070 176.042 175.900 0.354 0.000 0.990 98 Y CA -1.309 56.867 58.100 0.126 0.000 1.033 98 Y CB 1.934 40.404 38.460 0.018 0.000 1.259 98 Y HN 0.172 nan 8.280 nan 0.000 0.461 99 L N 0.182 121.604 121.223 0.332 0.000 2.301 99 L HA 0.774 5.124 4.340 0.017 0.000 0.264 99 L C -1.136 175.739 176.870 0.009 0.000 1.016 99 L CA -1.193 53.703 54.840 0.095 0.000 0.821 99 L CB 1.658 43.582 42.059 -0.226 0.000 1.346 99 L HN 0.495 nan 8.230 nan 0.000 0.429 100 N N 0.335 119.040 118.700 0.009 0.000 2.238 100 N HA 0.707 5.457 4.740 0.017 0.000 0.302 100 N C -1.511 173.892 175.510 -0.180 0.000 1.072 100 N CA -0.476 52.485 53.050 -0.148 0.000 0.792 100 N CB 2.909 41.300 38.487 -0.160 0.000 1.425 100 N HN 0.482 nan 8.380 nan 0.000 0.478 101 V N 1.371 121.107 119.914 -0.297 0.000 2.531 101 V HA 0.444 4.574 4.120 0.017 0.000 0.301 101 V C -0.827 175.196 176.094 -0.120 0.000 1.034 101 V CA -0.764 61.448 62.300 -0.146 0.000 0.865 101 V CB 2.251 33.825 31.823 -0.416 0.000 0.995 101 V HN 0.571 nan 8.190 nan 0.000 0.424 102 W N 3.035 124.423 121.300 0.146 0.000 2.529 102 W HA 0.662 5.332 4.660 0.017 0.000 0.321 102 W C 0.220 176.842 176.519 0.171 0.000 1.047 102 W CA -0.408 57.031 57.345 0.157 0.000 1.216 102 W CB 2.438 31.969 29.460 0.119 0.000 1.357 102 W HN 0.659 nan 8.180 nan 0.000 0.489 103 T N 0.155 114.960 114.554 0.418 0.000 2.887 103 T HA 0.582 4.942 4.350 0.017 0.000 0.292 103 T C -2.757 172.115 174.700 0.288 0.000 1.087 103 T CA -2.491 59.808 62.100 0.331 0.000 1.009 103 T CB 2.209 71.290 68.868 0.354 0.000 1.203 103 T HN -0.072 nan 8.240 nan 0.000 0.518 104 P HA 0.265 nan 4.420 nan 0.000 0.272 104 P C -1.590 175.850 177.300 0.232 0.000 1.240 104 P CA -0.285 62.931 63.100 0.194 0.000 0.791 104 P CB 0.133 31.914 31.700 0.136 0.000 0.978 105 Y N 2.066 122.418 120.300 0.088 0.000 2.332 105 Y HA 0.398 4.958 4.550 0.017 0.000 0.326 105 Y C -2.220 173.713 175.900 0.055 0.000 0.978 105 Y CA -2.415 55.730 58.100 0.075 0.000 1.205 105 Y CB 1.045 39.538 38.460 0.055 0.000 1.131 105 Y HN 0.332 nan 8.280 nan 0.000 0.462 106 P HA 0.115 nan 4.420 nan 0.000 0.273 106 P C -0.590 176.651 177.300 -0.098 0.000 1.250 106 P CA -0.495 62.382 63.100 -0.372 0.000 0.793 106 P CB 0.878 32.420 31.700 -0.263 0.000 1.011 107 R N 0.927 121.387 120.500 -0.067 0.000 2.619 107 R HA 0.012 4.362 4.340 0.017 0.000 0.268 107 R C -1.864 174.459 176.300 0.038 0.000 0.990 107 R CA -0.691 55.437 56.100 0.047 0.000 1.092 107 R CB -0.714 29.612 30.300 0.042 0.000 0.935 107 R HN 0.356 nan 8.270 nan 0.000 0.415 108 P HA -0.060 nan 4.420 nan 0.000 0.265 108 P C -0.480 176.837 177.300 0.027 0.000 1.187 108 P CA 0.355 63.486 63.100 0.051 0.000 0.766 108 P CB 0.816 32.556 31.700 0.066 0.000 0.820 109 A N 2.793 125.623 122.820 0.017 0.000 1.873 109 A HA -0.015 4.315 4.320 0.017 0.000 0.215 109 A C 0.964 178.551 177.584 0.005 0.000 1.186 109 A CA 1.668 53.709 52.037 0.006 0.000 0.616 109 A CB -0.792 18.210 19.000 0.004 0.000 0.823 109 A HN 0.639 nan 8.150 nan 0.000 0.442 110 S N -1.139 114.566 115.700 0.009 0.000 2.648 110 S HA 0.633 5.113 4.470 0.017 0.000 0.305 110 S C -3.134 171.473 174.600 0.011 0.000 1.094 110 S CA -1.958 56.245 58.200 0.005 0.000 0.983 110 S CB 1.082 64.283 63.200 0.001 0.000 1.101 110 S HN 0.044 nan 8.310 nan 0.000 0.514 111 P HA 0.124 nan 4.420 nan 0.000 0.261 111 P C -0.592 176.714 177.300 0.010 0.000 1.165 111 P CA 0.487 63.592 63.100 0.008 0.000 0.759 111 P CB -0.112 31.584 31.700 -0.007 0.000 0.772 112 T N 4.917 119.485 114.554 0.024 0.000 2.856 112 T HA 0.442 4.802 4.350 0.017 0.000 0.283 112 T C -2.513 172.199 174.700 0.019 0.000 1.008 112 T CA -1.900 60.215 62.100 0.026 0.000 0.997 112 T CB 1.253 70.151 68.868 0.051 0.000 0.992 112 T HN 0.127 nan 8.240 nan 0.000 0.454 113 P HA 0.161 nan 4.420 nan 0.000 0.265 113 P C -0.966 176.349 177.300 0.024 0.000 1.187 113 P CA -0.211 62.884 63.100 -0.009 0.000 0.766 113 P CB 0.407 32.090 31.700 -0.029 0.000 0.820 114 V N 4.420 124.355 119.914 0.034 0.000 2.513 114 V HA 0.345 4.475 4.120 0.017 0.000 0.299 114 V C -0.081 176.064 176.094 0.085 0.000 1.035 114 V CA -0.572 61.775 62.300 0.078 0.000 0.889 114 V CB 1.622 33.502 31.823 0.096 0.000 0.988 114 V HN 0.314 nan 8.190 nan 0.000 0.440 115 L N 5.704 126.996 121.223 0.117 0.000 2.333 115 L HA 0.614 4.964 4.340 0.017 0.000 0.280 115 L C -0.479 176.598 176.870 0.344 0.000 1.004 115 L CA -0.068 54.850 54.840 0.131 0.000 0.820 115 L CB 1.429 43.455 42.059 -0.055 0.000 1.247 115 L HN 0.502 nan 8.230 nan 0.000 0.416 116 I N 4.391 125.206 120.570 0.410 0.000 2.355 116 I HA 0.207 4.388 4.170 0.017 0.000 0.288 116 I C -0.791 175.653 176.117 0.544 0.000 0.999 116 I CA -0.545 60.996 61.300 0.402 0.000 1.163 116 I CB 1.155 39.271 38.000 0.194 0.000 1.316 116 I HN 0.618 nan 8.210 nan 0.000 0.454 117 W N 8.643 130.119 121.300 0.293 0.000 2.365 117 W HA 0.560 5.230 4.660 0.016 0.000 0.316 117 W C -1.533 174.925 176.519 -0.102 0.000 1.164 117 W CA -0.601 56.692 57.345 -0.087 0.000 1.204 117 W CB 1.168 30.585 29.460 -0.071 0.000 1.213 117 W HN 0.335 nan 8.180 nan 0.000 0.539 118 I N 8.827 128.729 120.570 -1.114 0.000 2.382 118 I HA 0.085 4.265 4.170 0.017 0.000 0.285 118 I C -0.251 175.025 176.117 -1.401 0.000 1.007 118 I CA -1.138 59.585 61.300 -0.963 0.000 1.142 118 I CB 0.854 38.496 38.000 -0.597 0.000 1.289 118 I HN 0.306 nan 8.210 nan 0.000 0.453 119 Y N 4.592 124.433 120.300 -0.765 0.000 2.426 119 Y HA 0.644 5.203 4.550 0.017 0.000 0.344 119 Y C 0.807 176.549 175.900 -0.263 0.000 1.256 119 Y CA -0.763 57.047 58.100 -0.483 0.000 1.451 119 Y CB -0.110 38.302 38.460 -0.079 0.000 1.342 119 Y HN 0.539 nan 8.280 nan 0.000 0.600 120 G N -0.799 108.037 108.800 0.060 0.000 2.606 120 G HA2 0.478 4.449 3.960 0.017 0.000 0.262 120 G HA3 0.478 4.449 3.960 0.017 0.000 0.262 120 G C 0.348 175.209 174.900 -0.065 0.000 1.394 120 G CA -0.906 44.156 45.100 -0.062 0.000 1.044 120 G HN 1.754 nan 8.290 nan 0.000 0.553 121 G N -2.806 105.799 108.800 -0.324 0.000 2.157 121 G HA2 0.382 4.352 3.960 0.017 0.000 0.114 121 G HA3 0.382 4.352 3.960 0.017 0.000 0.114 121 G C 1.118 175.489 174.900 -0.881 0.000 1.041 121 G CA 0.692 45.458 45.100 -0.556 0.000 0.714 121 G HN 2.335 nan 8.290 nan 0.000 0.492 122 G N -0.521 107.753 108.800 -0.877 0.000 2.212 122 G HA2 -0.137 3.833 3.960 0.017 0.000 0.267 122 G HA3 -0.137 3.833 3.960 0.017 0.000 0.267 122 G C 0.959 175.562 174.900 -0.494 0.000 1.002 122 G CA 0.912 45.208 45.100 -1.340 0.000 0.729 122 G HN 1.805 nan 8.290 nan 0.000 0.517 123 F N -3.457 116.379 119.950 -0.190 0.000 2.935 123 F HA -0.333 4.204 4.527 0.017 0.000 0.317 123 F C 1.524 177.465 175.800 0.236 0.000 0.699 123 F CA 2.146 60.175 58.000 0.050 0.000 1.127 123 F CB -2.089 36.812 39.000 -0.166 0.000 1.491 123 F HN 0.853 nan 8.300 nan 0.000 0.337 124 Y N -0.817 119.632 120.300 0.248 0.000 2.444 124 Y HA 0.634 5.193 4.550 0.016 0.000 0.249 124 Y C 0.695 176.725 175.900 0.217 0.000 1.134 124 Y CA 0.294 58.582 58.100 0.313 0.000 1.261 124 Y CB 0.018 38.676 38.460 0.329 0.000 1.143 124 Y HN 0.092 nan 8.280 nan 0.000 0.523 125 S N -0.897 114.523 115.700 -0.467 0.000 2.672 125 S HA 0.878 5.358 4.470 0.017 0.000 0.271 125 S C -0.232 174.178 174.600 -0.317 0.000 1.171 125 S CA -0.491 57.494 58.200 -0.358 0.000 0.817 125 S CB 1.491 64.384 63.200 -0.511 0.000 1.150 125 S HN 1.307 nan 8.310 nan 0.000 0.478 126 G N -0.737 107.837 108.800 -0.377 0.000 2.406 126 G HA2 0.557 4.527 3.960 0.017 0.000 0.680 126 G HA3 0.557 4.527 3.960 0.017 0.000 0.680 126 G C -0.742 173.473 174.900 -1.141 0.000 1.338 126 G CA -0.157 44.529 45.100 -0.690 0.000 0.941 126 G HN 2.155 nan 8.290 nan 0.000 0.633 127 A N -0.891 121.187 122.820 -1.237 0.000 2.594 127 A HA 1.003 5.334 4.320 0.017 0.000 0.296 127 A C 0.525 177.931 177.584 -0.297 0.000 1.061 127 A CA 0.478 52.046 52.037 -0.782 0.000 0.689 127 A CB 1.058 19.827 19.000 -0.385 0.000 1.280 127 A HN 2.576 nan 8.150 nan 0.000 0.406 128 A N 0.385 123.259 122.820 0.091 0.000 2.238 128 A HA 0.322 4.652 4.320 0.017 0.000 0.208 128 A C 1.470 179.092 177.584 0.063 0.000 1.177 128 A CA 1.462 53.724 52.037 0.374 0.000 0.804 128 A CB -0.576 18.705 19.000 0.469 0.000 0.823 128 A HN 1.667 nan 8.150 nan 0.000 0.482 129 S N -0.610 114.886 115.700 -0.339 0.000 2.556 129 S HA 0.340 4.820 4.470 0.017 0.000 0.216 129 S C 0.486 174.678 174.600 -0.681 0.000 0.970 129 S CA -0.458 57.111 58.200 -1.051 0.000 0.912 129 S CB -0.482 62.026 63.200 -1.154 0.000 0.790 129 S HN 0.385 nan 8.310 nan 0.000 0.504 130 L N 2.188 123.139 121.223 -0.452 0.000 2.483 130 L HA 0.150 4.501 4.340 0.017 0.000 0.275 130 L C 1.172 177.721 176.870 -0.535 0.000 1.220 130 L CA -0.404 54.108 54.840 -0.547 0.000 0.833 130 L CB 0.189 41.784 42.059 -0.772 0.000 1.102 130 L HN 0.050 nan 8.230 nan 0.000 0.490 131 D N 0.776 120.898 120.400 -0.463 0.000 2.149 131 D HA -0.146 4.504 4.640 0.017 0.000 0.198 131 D C 2.000 178.030 176.300 -0.450 0.000 0.990 131 D CA 1.304 55.094 54.000 -0.350 0.000 0.839 131 D CB -0.079 40.551 40.800 -0.284 0.000 0.948 131 D HN 0.516 nan 8.370 nan 0.000 0.460 132 V N -1.254 118.244 119.914 -0.694 0.000 2.913 132 V HA -0.183 3.947 4.120 0.017 0.000 0.260 132 V C 1.189 176.724 176.094 -0.932 0.000 1.098 132 V CA 1.124 62.983 62.300 -0.734 0.000 1.121 132 V CB -1.185 30.178 31.823 -0.766 0.000 0.714 132 V HN 0.095 nan 8.190 nan 0.000 0.487 133 Y N 0.435 120.191 120.300 -0.908 0.000 2.532 133 Y HA 0.427 4.987 4.550 0.016 0.000 0.283 133 Y C 0.883 176.180 175.900 -1.004 0.000 1.181 133 Y CA -1.831 55.341 58.100 -1.547 0.000 1.256 133 Y CB -1.014 36.881 38.460 -0.942 0.000 1.112 133 Y HN 0.262 nan 8.280 nan 0.000 0.521 134 D N 0.855 120.970 120.400 -0.474 0.000 2.389 134 D HA 0.010 4.660 4.640 0.017 0.000 0.263 134 D C 1.469 177.463 176.300 -0.509 0.000 1.255 134 D CA 0.537 54.332 54.000 -0.341 0.000 0.914 134 D CB 1.191 41.925 40.800 -0.110 0.000 1.116 134 D HN 0.458 nan 8.370 nan 0.000 0.502 135 G N 4.160 112.047 108.800 -1.522 0.000 2.744 135 G HA2 -0.211 3.760 3.960 0.017 0.000 0.211 135 G HA3 -0.211 3.760 3.960 0.017 0.000 0.211 135 G C 1.507 175.797 174.900 -1.016 0.000 1.143 135 G CA 0.511 44.829 45.100 -1.302 0.000 0.788 135 G HN 0.649 nan 8.290 nan 0.000 0.534 136 R N -0.486 119.348 120.500 -1.110 0.000 2.105 136 R HA -0.059 4.291 4.340 0.017 0.000 0.239 136 R C 1.854 177.860 176.300 -0.489 0.000 1.135 136 R CA 1.544 57.244 56.100 -0.668 0.000 0.967 136 R CB -0.772 29.155 30.300 -0.622 0.000 0.861 136 R HN 0.324 nan 8.270 nan 0.000 0.442 137 F N 1.511 121.364 119.950 -0.162 0.000 2.113 137 F HA 0.017 4.554 4.527 0.018 0.000 0.297 137 F C 2.305 178.049 175.800 -0.093 0.000 1.103 137 F CA 0.869 58.805 58.000 -0.106 0.000 1.248 137 F CB -0.559 38.373 39.000 -0.112 0.000 0.999 137 F HN -0.122 nan 8.300 nan 0.000 0.475 138 L N -0.201 121.052 121.223 0.050 0.000 2.131 138 L HA -0.170 4.180 4.340 0.017 0.000 0.210 138 L C 2.656 179.536 176.870 0.017 0.000 1.092 138 L CA 1.020 55.856 54.840 -0.006 0.000 0.759 138 L CB -0.905 41.105 42.059 -0.082 0.000 0.903 138 L HN 0.188 nan 8.230 nan 0.000 0.435 139 A N -1.005 121.827 122.820 0.021 0.000 1.897 139 A HA -0.197 4.133 4.320 0.017 0.000 0.215 139 A C 2.299 179.927 177.584 0.072 0.000 1.181 139 A CA 1.189 53.275 52.037 0.082 0.000 0.620 139 A CB -0.400 18.692 19.000 0.153 0.000 0.821 139 A HN 0.350 nan 8.150 nan 0.000 0.443 140 Q N -0.007 119.818 119.800 0.042 0.000 2.016 140 Q HA -0.090 4.260 4.340 0.017 0.000 0.200 140 Q C 2.180 178.212 176.000 0.054 0.000 0.978 140 Q CA 2.075 57.908 55.803 0.049 0.000 0.833 140 Q CB -0.223 28.527 28.738 0.020 0.000 0.895 140 Q HN 0.421 nan 8.270 nan 0.000 0.427 141 V N 1.123 121.069 119.914 0.053 0.000 2.379 141 V HA -0.108 4.023 4.120 0.017 0.000 0.243 141 V C 1.712 177.823 176.094 0.029 0.000 1.035 141 V CA 1.518 63.843 62.300 0.042 0.000 1.035 141 V CB -0.211 31.635 31.823 0.039 0.000 0.673 141 V HN 0.237 nan 8.190 nan 0.000 0.457 142 E N 0.068 120.283 120.200 0.025 0.000 2.474 142 E HA 0.196 4.556 4.350 0.017 0.000 0.195 142 E C 1.575 178.192 176.600 0.029 0.000 1.039 142 E CA 0.677 57.088 56.400 0.018 0.000 0.881 142 E CB 0.343 30.046 29.700 0.004 0.000 0.970 142 E HN 0.603 nan 8.360 nan 0.000 0.486 143 G N 1.959 110.786 108.800 0.045 0.000 2.305 143 G HA2 -0.287 3.683 3.960 0.017 0.000 0.287 143 G HA3 -0.287 3.683 3.960 0.017 0.000 0.287 143 G C 0.364 175.302 174.900 0.063 0.000 1.036 143 G CA 0.473 45.608 45.100 0.059 0.000 0.887 143 G HN 0.441 nan 8.290 nan 0.000 0.505 144 A N -0.836 122.023 122.820 0.065 0.000 2.304 144 A HA 0.779 5.109 4.320 0.017 0.000 0.301 144 A C 0.394 178.051 177.584 0.122 0.000 1.132 144 A CA -0.278 51.802 52.037 0.070 0.000 0.819 144 A CB 1.536 20.559 19.000 0.038 0.000 1.094 144 A HN 1.102 nan 8.150 nan 0.000 0.492 145 V N 2.944 122.935 119.914 0.129 0.000 2.385 145 V HA 0.292 4.422 4.120 0.017 0.000 0.269 145 V C -0.058 176.158 176.094 0.203 0.000 1.043 145 V CA 0.008 62.413 62.300 0.175 0.000 0.906 145 V CB 0.592 32.504 31.823 0.149 0.000 0.995 145 V HN 0.712 nan 8.190 nan 0.000 0.467 146 L N 6.409 127.811 121.223 0.299 0.000 2.313 146 L HA 0.721 5.071 4.340 0.017 0.000 0.283 146 L C -0.787 176.380 176.870 0.496 0.000 1.013 146 L CA -0.289 54.782 54.840 0.385 0.000 0.816 146 L CB 1.782 44.062 42.059 0.367 0.000 1.236 146 L HN 0.435 nan 8.230 nan 0.000 0.419 147 V N 3.049 123.231 119.914 0.446 0.000 2.604 147 V HA 0.679 4.809 4.120 0.017 0.000 0.305 147 V C -0.455 175.911 176.094 0.454 0.000 1.043 147 V CA -0.482 62.041 62.300 0.372 0.000 0.888 147 V CB 1.983 33.942 31.823 0.227 0.000 0.995 147 V HN 0.844 nan 8.190 nan 0.000 0.429 148 S N 4.930 120.891 115.700 0.436 0.000 2.541 148 S HA 0.861 5.341 4.470 0.017 0.000 0.280 148 S C -0.805 173.955 174.600 0.266 0.000 1.112 148 S CA -0.847 57.606 58.200 0.421 0.000 0.925 148 S CB 2.239 65.817 63.200 0.631 0.000 1.067 148 S HN 0.858 nan 8.310 nan 0.000 0.479 149 M N 1.520 121.234 119.600 0.191 0.000 2.456 149 M HA 0.619 5.109 4.480 0.017 0.000 0.324 149 M C -1.424 175.080 176.300 0.341 0.000 1.124 149 M CA -0.518 54.886 55.300 0.173 0.000 0.959 149 M CB 0.994 33.544 32.600 -0.084 0.000 1.692 149 M HN 0.545 nan 8.290 nan 0.000 0.444 150 N N 3.145 122.109 118.700 0.440 0.000 2.508 150 N HA 0.487 5.237 4.740 0.017 0.000 0.264 150 N C -1.335 174.441 175.510 0.443 0.000 1.216 150 N CA 0.261 53.586 53.050 0.459 0.000 0.943 150 N CB 0.327 39.026 38.487 0.353 0.000 1.113 150 N HN 0.739 nan 8.380 nan 0.000 0.447 151 Y N -2.072 118.406 120.300 0.297 0.000 2.544 151 Y HA 0.524 5.084 4.550 0.017 0.000 0.342 151 Y C -0.270 175.775 175.900 0.241 0.000 1.062 151 Y CA -1.304 56.923 58.100 0.211 0.000 1.023 151 Y CB 0.931 39.448 38.460 0.096 0.000 1.308 151 Y HN 0.212 nan 8.280 nan 0.000 0.457 152 R N 2.115 122.781 120.500 0.276 0.000 2.537 152 R HA 0.482 4.832 4.340 0.017 0.000 0.280 152 R C -0.206 176.291 176.300 0.327 0.000 1.058 152 R CA -0.108 56.115 56.100 0.206 0.000 1.057 152 R CB 0.904 31.288 30.300 0.139 0.000 0.973 152 R HN 0.715 nan 8.270 nan 0.000 0.438 153 V N -0.125 120.015 119.914 0.378 0.000 3.181 153 V HA 0.845 4.976 4.120 0.017 0.000 0.314 153 V C 0.826 177.292 176.094 0.619 0.000 1.173 153 V CA -0.214 62.430 62.300 0.575 0.000 1.052 153 V CB 1.065 33.124 31.823 0.393 0.000 1.123 153 V HN 0.959 nan 8.190 nan 0.000 0.454 154 G N 1.585 110.799 108.800 0.689 0.000 2.582 154 G HA2 -0.331 3.640 3.960 0.017 0.000 0.300 154 G HA3 -0.331 3.640 3.960 0.017 0.000 0.300 154 G C 1.106 176.210 174.900 0.341 0.000 1.300 154 G CA 1.901 47.363 45.100 0.604 0.000 0.959 154 G HN 2.402 nan 8.290 nan 0.000 0.548 155 T N -1.935 112.544 114.554 -0.125 0.000 2.721 155 T HA -0.186 4.174 4.350 0.017 0.000 0.268 155 T C 2.089 176.691 174.700 -0.163 0.000 1.038 155 T CA 2.713 64.477 62.100 -0.560 0.000 1.145 155 T CB -0.429 67.966 68.868 -0.788 0.000 0.858 155 T HN 0.576 nan 8.240 nan 0.000 0.459 156 F N 1.895 121.953 119.950 0.180 0.000 2.259 156 F HA 0.303 4.840 4.527 0.017 0.000 0.298 156 F C 2.755 178.596 175.800 0.067 0.000 1.088 156 F CA 0.570 58.629 58.000 0.098 0.000 1.358 156 F CB -0.799 38.209 39.000 0.014 0.000 1.040 156 F HN 0.363 nan 8.300 nan 0.000 0.505 157 G N -1.709 107.210 108.800 0.198 0.000 2.595 157 G HA2 0.008 3.978 3.960 0.017 0.000 0.213 157 G HA3 0.008 3.978 3.960 0.017 0.000 0.213 157 G C 0.865 175.339 174.900 -0.711 0.000 1.141 157 G CA 0.252 45.192 45.100 -0.265 0.000 0.806 157 G HN 0.351 nan 8.290 nan 0.000 0.530 158 F N -0.566 119.506 119.950 0.203 0.000 2.915 158 F HA 0.432 4.969 4.527 0.017 0.000 0.347 158 F C 0.389 176.291 175.800 0.170 0.000 1.104 158 F CA -0.918 57.178 58.000 0.160 0.000 1.126 158 F CB 0.394 39.494 39.000 0.168 0.000 1.145 158 F HN -0.092 nan 8.300 nan 0.000 0.541 159 L N 2.287 123.576 121.223 0.111 0.000 2.477 159 L HA 0.558 4.908 4.340 0.017 0.000 0.272 159 L C -0.038 176.787 176.870 -0.076 0.000 1.157 159 L CA 0.020 54.805 54.840 -0.092 0.000 0.889 159 L CB 0.376 42.066 42.059 -0.614 0.000 1.158 159 L HN 0.132 nan 8.230 nan 0.000 0.473 160 A N 6.276 129.112 122.820 0.027 0.000 2.374 160 A HA 0.665 4.995 4.320 0.017 0.000 0.305 160 A C -1.077 176.494 177.584 -0.020 0.000 1.053 160 A CA -0.563 51.474 52.037 0.001 0.000 0.726 160 A CB 1.271 20.307 19.000 0.060 0.000 1.229 160 A HN 0.711 nan 8.150 nan 0.000 0.431 161 L N 3.740 124.934 121.223 -0.049 0.000 2.426 161 L HA 0.325 4.675 4.340 0.017 0.000 0.255 161 L C -2.401 174.463 176.870 -0.011 0.000 1.080 161 L CA -1.689 53.131 54.840 -0.033 0.000 0.960 161 L CB 1.404 43.431 42.059 -0.053 0.000 1.326 161 L HN 0.414 nan 8.230 nan 0.000 0.441 162 P HA 0.066 nan 4.420 nan 0.000 0.264 162 P C 0.990 178.295 177.300 0.009 0.000 1.183 162 P CA 0.782 63.888 63.100 0.010 0.000 0.763 162 P CB 0.878 32.584 31.700 0.011 0.000 0.807 163 G N 1.657 110.466 108.800 0.015 0.000 2.241 163 G HA2 -0.249 3.721 3.960 0.017 0.000 0.244 163 G HA3 -0.249 3.721 3.960 0.017 0.000 0.244 163 G C 0.418 175.327 174.900 0.014 0.000 0.998 163 G CA 0.287 45.395 45.100 0.015 0.000 0.621 163 G HN 0.823 nan 8.290 nan 0.000 0.519 164 S N -0.317 115.389 115.700 0.011 0.000 2.603 164 S HA 0.627 5.107 4.470 0.017 0.000 0.268 164 S C 1.212 175.826 174.600 0.022 0.000 1.317 164 S CA 0.298 58.505 58.200 0.012 0.000 1.012 164 S CB 1.736 64.938 63.200 0.003 0.000 0.926 164 S HN 0.403 nan 8.310 nan 0.000 0.539 165 R N 0.596 121.111 120.500 0.025 0.000 2.127 165 R HA 0.013 4.363 4.340 0.017 0.000 0.217 165 R C 1.653 177.979 176.300 0.043 0.000 1.074 165 R CA 1.183 57.303 56.100 0.033 0.000 0.991 165 R CB -0.051 30.267 30.300 0.031 0.000 0.895 165 R HN 0.878 nan 8.270 nan 0.000 0.450 166 E N -0.484 119.742 120.200 0.044 0.000 2.476 166 E HA 0.086 4.446 4.350 0.017 0.000 0.199 166 E C -0.150 176.503 176.600 0.088 0.000 1.021 166 E CA 0.202 56.641 56.400 0.066 0.000 0.907 166 E CB 1.020 30.760 29.700 0.067 0.000 0.974 166 E HN 0.102 nan 8.360 nan 0.000 0.489 167 A N 2.637 125.485 122.820 0.047 0.000 3.300 167 A HA 0.359 4.689 4.320 0.017 0.000 0.300 167 A C -2.227 175.365 177.584 0.012 0.000 1.099 167 A CA -0.955 51.096 52.037 0.023 0.000 0.846 167 A CB 0.918 19.855 19.000 -0.107 0.000 1.255 167 A HN -0.058 nan 8.150 nan 0.000 0.519 168 P HA 0.195 nan 4.420 nan 0.000 0.241 168 P C 0.855 178.178 177.300 0.039 0.000 1.191 168 P CA 1.466 64.588 63.100 0.038 0.000 0.771 168 P CB 0.192 31.923 31.700 0.052 0.000 0.929 169 G N 1.184 110.004 108.800 0.034 0.000 2.730 169 G HA2 -0.191 3.779 3.960 0.017 0.000 0.686 169 G HA3 -0.191 3.779 3.960 0.017 0.000 0.686 169 G C -0.031 174.878 174.900 0.014 0.000 1.343 169 G CA -0.294 44.832 45.100 0.044 0.000 0.826 169 G HN 0.137 nan 8.290 nan 0.000 0.582 170 N N -2.470 116.239 118.700 0.015 0.000 2.828 170 N HA -0.288 4.462 4.740 0.017 0.000 0.248 170 N C 1.882 177.240 175.510 -0.254 0.000 1.044 170 N CA 2.440 55.430 53.050 -0.101 0.000 0.851 170 N CB -1.715 36.651 38.487 -0.201 0.000 1.136 170 N HN 1.915 nan 8.380 nan 0.000 0.572 171 V N -2.445 117.323 119.914 -0.243 0.000 2.490 171 V HA -0.012 4.118 4.120 0.017 0.000 0.250 171 V C 2.361 178.317 176.094 -0.230 0.000 1.061 171 V CA 2.341 64.541 62.300 -0.166 0.000 1.064 171 V CB -1.001 30.787 31.823 -0.058 0.000 0.670 171 V HN 0.273 nan 8.190 nan 0.000 0.461 172 G N 0.634 109.092 108.800 -0.570 0.000 2.442 172 G HA2 -0.184 3.787 3.960 0.017 0.000 0.219 172 G HA3 -0.184 3.787 3.960 0.017 0.000 0.219 172 G C 1.557 176.396 174.900 -0.101 0.000 1.141 172 G CA 1.309 46.191 45.100 -0.364 0.000 0.763 172 G HN 0.554 nan 8.290 nan 0.000 0.554 173 L N -0.164 120.950 121.223 -0.181 0.000 2.093 173 L HA 0.070 4.420 4.340 0.017 0.000 0.208 173 L C 2.814 179.661 176.870 -0.038 0.000 1.085 173 L CA 0.343 55.044 54.840 -0.231 0.000 0.755 173 L CB -0.331 41.264 42.059 -0.772 0.000 0.904 173 L HN 0.176 nan 8.230 nan 0.000 0.435 174 L N -0.523 120.687 121.223 -0.021 0.000 2.141 174 L HA -0.196 4.154 4.340 0.017 0.000 0.209 174 L C 2.146 179.129 176.870 0.189 0.000 1.094 174 L CA 0.794 55.730 54.840 0.160 0.000 0.763 174 L CB -0.626 41.513 42.059 0.133 0.000 0.908 174 L HN 0.269 nan 8.230 nan 0.000 0.437 175 D N 0.052 120.551 120.400 0.165 0.000 2.104 175 D HA -0.202 4.448 4.640 0.017 0.000 0.194 175 D C 2.297 178.760 176.300 0.271 0.000 0.994 175 D CA 1.220 55.395 54.000 0.292 0.000 0.830 175 D CB -0.173 40.813 40.800 0.310 0.000 0.959 175 D HN 0.392 nan 8.370 nan 0.000 0.452 176 Q N 0.089 119.979 119.800 0.151 0.000 2.050 176 Q HA -0.149 4.201 4.340 0.017 0.000 0.202 176 Q C 2.296 178.311 176.000 0.025 0.000 0.980 176 Q CA 1.227 57.055 55.803 0.042 0.000 0.840 176 Q CB -0.105 28.659 28.738 0.043 0.000 0.898 176 Q HN 0.150 nan 8.270 nan 0.000 0.424 177 R N 0.564 121.176 120.500 0.187 0.000 2.103 177 R HA -0.204 4.146 4.340 0.017 0.000 0.242 177 R C 2.140 178.515 176.300 0.126 0.000 1.142 177 R CA 1.198 57.399 56.100 0.168 0.000 0.960 177 R CB -0.350 30.162 30.300 0.352 0.000 0.858 177 R HN 0.212 nan 8.270 nan 0.000 0.439 178 L N 0.432 121.760 121.223 0.176 0.000 2.083 178 L HA -0.046 4.304 4.340 0.017 0.000 0.209 178 L C 2.225 179.162 176.870 0.110 0.000 1.083 178 L CA 2.132 57.102 54.840 0.217 0.000 0.752 178 L CB -0.771 41.501 42.059 0.355 0.000 0.899 178 L HN 0.314 nan 8.230 nan 0.000 0.433 179 A N -1.023 121.680 122.820 -0.195 0.000 1.902 179 A HA -0.169 4.161 4.320 0.017 0.000 0.217 179 A C 2.117 179.660 177.584 -0.068 0.000 1.181 179 A CA 1.738 53.480 52.037 -0.493 0.000 0.623 179 A CB -0.780 17.734 19.000 -0.810 0.000 0.818 179 A HN 0.394 nan 8.150 nan 0.000 0.443 180 L N -0.166 121.032 121.223 -0.042 0.000 2.042 180 L HA -0.228 4.122 4.340 0.017 0.000 0.210 180 L C 2.687 179.616 176.870 0.099 0.000 1.076 180 L CA 2.124 56.977 54.840 0.022 0.000 0.749 180 L CB -0.991 41.044 42.059 -0.039 0.000 0.893 180 L HN 0.494 nan 8.230 nan 0.000 0.432 181 Q N -2.661 117.212 119.800 0.121 0.000 2.123 181 Q HA -0.245 4.105 4.340 0.017 0.000 0.199 181 Q C 2.121 178.212 176.000 0.151 0.000 0.966 181 Q CA 1.595 57.475 55.803 0.128 0.000 0.845 181 Q CB -0.392 28.427 28.738 0.135 0.000 0.907 181 Q HN 0.578 nan 8.270 nan 0.000 0.439 182 W N 0.700 122.023 121.300 0.038 0.000 2.338 182 W HA -0.240 4.430 4.660 0.017 0.000 0.304 182 W C 1.853 178.408 176.519 0.059 0.000 1.212 182 W CA 1.431 58.815 57.345 0.065 0.000 1.264 182 W CB -0.158 29.337 29.460 0.059 0.000 1.142 182 W HN -0.146 nan 8.180 nan 0.000 0.512 183 V N 0.869 120.971 119.914 0.314 0.000 2.287 183 V HA -0.366 3.764 4.120 0.017 0.000 0.248 183 V C 2.581 178.678 176.094 0.005 0.000 1.053 183 V CA 2.143 64.546 62.300 0.172 0.000 1.027 183 V CB -1.093 30.850 31.823 0.200 0.000 0.646 183 V HN 0.216 nan 8.190 nan 0.000 0.447 184 Q N -0.061 119.754 119.800 0.024 0.000 2.077 184 Q HA -0.262 4.088 4.340 0.017 0.000 0.206 184 Q C 2.232 178.191 176.000 -0.069 0.000 0.989 184 Q CA 2.014 57.816 55.803 -0.002 0.000 0.853 184 Q CB -0.348 28.405 28.738 0.025 0.000 0.907 184 Q HN 0.725 nan 8.270 nan 0.000 0.418 185 E N -0.346 119.778 120.200 -0.127 0.000 2.152 185 E HA -0.053 4.307 4.350 0.017 0.000 0.192 185 E C 1.387 177.820 176.600 -0.279 0.000 0.983 185 E CA 0.549 56.840 56.400 -0.182 0.000 0.818 185 E CB 0.219 29.808 29.700 -0.184 0.000 0.758 185 E HN 0.323 nan 8.360 nan 0.000 0.467 186 N N -0.229 118.205 118.700 -0.442 0.000 2.317 186 N HA 0.014 4.764 4.740 0.017 0.000 0.199 186 N C 1.509 176.896 175.510 -0.205 0.000 1.145 186 N CA 0.041 52.780 53.050 -0.518 0.000 0.882 186 N CB 0.400 38.157 38.487 -1.218 0.000 1.113 186 N HN 0.030 nan 8.380 nan 0.000 0.486 187 I N 2.597 123.108 120.570 -0.099 0.000 2.335 187 I HA -0.159 4.021 4.170 0.017 0.000 0.251 187 I C 2.197 178.402 176.117 0.146 0.000 1.129 187 I CA 0.618 62.002 61.300 0.140 0.000 1.402 187 I CB -0.423 37.633 38.000 0.094 0.000 1.069 187 I HN 0.069 nan 8.210 nan 0.000 0.424 188 A N 0.357 123.190 122.820 0.022 0.000 1.917 188 A HA -0.240 4.090 4.320 0.017 0.000 0.219 188 A C 2.528 180.095 177.584 -0.028 0.000 1.182 188 A CA 2.026 54.062 52.037 -0.002 0.000 0.633 188 A CB -1.289 17.688 19.000 -0.039 0.000 0.819 188 A HN 0.494 nan 8.150 nan 0.000 0.448 189 A N -1.514 121.242 122.820 -0.107 0.000 2.032 189 A HA -0.066 4.264 4.320 0.017 0.000 0.221 189 A C 1.694 179.066 177.584 -0.353 0.000 1.165 189 A CA 1.610 53.481 52.037 -0.277 0.000 0.645 189 A CB -0.718 18.012 19.000 -0.450 0.000 0.807 189 A HN 0.550 nan 8.150 nan 0.000 0.453 190 F N -1.533 118.361 119.950 -0.093 0.000 2.727 190 F HA 0.380 4.917 4.527 0.017 0.000 0.302 190 F C 1.814 177.613 175.800 -0.002 0.000 1.097 190 F CA 0.593 58.552 58.000 -0.068 0.000 1.330 190 F CB 0.258 39.220 39.000 -0.062 0.000 1.084 190 F HN 0.345 nan 8.300 nan 0.000 0.578 191 G N 0.301 109.183 108.800 0.137 0.000 2.157 191 G HA2 -0.198 3.772 3.960 0.017 0.000 0.239 191 G HA3 -0.198 3.772 3.960 0.017 0.000 0.239 191 G C 0.714 175.674 174.900 0.100 0.000 0.982 191 G CA -0.285 44.871 45.100 0.094 0.000 0.650 191 G HN 0.710 nan 8.290 nan 0.000 0.527 192 G N -0.365 108.514 108.800 0.131 0.000 2.544 192 G HA2 0.420 4.390 3.960 0.017 0.000 0.242 192 G HA3 0.420 4.390 3.960 0.017 0.000 0.242 192 G C -0.429 174.502 174.900 0.051 0.000 1.247 192 G CA 0.479 45.636 45.100 0.096 0.000 0.840 192 G HN 0.280 nan 8.290 nan 0.000 0.578 193 D N 1.468 121.884 120.400 0.028 0.000 2.443 193 D HA 0.289 4.939 4.640 0.017 0.000 0.221 193 D C -1.097 175.198 176.300 -0.009 0.000 1.097 193 D CA -2.387 51.611 54.000 -0.004 0.000 0.865 193 D CB 1.746 42.531 40.800 -0.026 0.000 1.034 193 D HN 0.056 nan 8.370 nan 0.000 0.511 194 P HA -0.089 nan 4.420 nan 0.000 0.226 194 P C 1.364 178.654 177.300 -0.016 0.000 1.153 194 P CA 0.550 63.653 63.100 0.005 0.000 0.777 194 P CB 0.202 31.902 31.700 0.001 0.000 0.794 195 M N -1.051 118.514 119.600 -0.059 0.000 2.686 195 M HA 0.022 4.512 4.480 0.017 0.000 0.246 195 M C 0.729 176.833 176.300 -0.327 0.000 1.096 195 M CA 0.788 56.005 55.300 -0.138 0.000 1.076 195 M CB -0.124 32.406 32.600 -0.116 0.000 1.504 195 M HN -0.203 nan 8.290 nan 0.000 0.524 196 S N 0.418 115.998 115.700 -0.200 0.000 2.204 196 S HA 0.388 4.868 4.470 0.017 0.000 0.147 196 S C -0.912 173.652 174.600 -0.060 0.000 1.711 196 S CA -0.609 57.464 58.200 -0.212 0.000 1.274 196 S CB 0.293 63.394 63.200 -0.165 0.000 1.257 196 S HN -0.043 nan 8.310 nan 0.000 0.404 197 V N 3.061 122.988 119.914 0.022 0.000 2.435 197 V HA 0.576 4.706 4.120 0.017 0.000 0.290 197 V C 0.084 176.285 176.094 0.178 0.000 1.030 197 V CA -0.375 61.996 62.300 0.118 0.000 0.881 197 V CB 1.946 33.875 31.823 0.177 0.000 0.983 197 V HN 0.639 nan 8.190 nan 0.000 0.445 198 T N 6.274 120.914 114.554 0.142 0.000 2.786 198 T HA 0.573 4.933 4.350 0.017 0.000 0.283 198 T C -0.261 174.555 174.700 0.194 0.000 0.992 198 T CA -0.385 61.815 62.100 0.166 0.000 0.954 198 T CB 0.886 69.799 68.868 0.075 0.000 0.934 198 T HN 0.346 nan 8.240 nan 0.000 0.440 199 L N 4.632 125.943 121.223 0.147 0.000 2.417 199 L HA 0.654 5.004 4.340 0.017 0.000 0.268 199 L C -0.118 176.964 176.870 0.353 0.000 1.158 199 L CA -0.645 54.266 54.840 0.119 0.000 0.819 199 L CB 0.213 42.136 42.059 -0.226 0.000 1.112 199 L HN 0.707 nan 8.230 nan 0.000 0.458 200 F N -0.369 119.641 119.950 0.099 0.000 2.613 200 F HA 0.929 5.466 4.527 0.016 0.000 0.310 200 F C -0.212 175.557 175.800 -0.052 0.000 1.085 200 F CA -0.802 57.298 58.000 0.167 0.000 0.945 200 F CB 2.187 41.436 39.000 0.414 0.000 1.298 200 F HN 0.505 nan 8.300 nan 0.000 0.455 201 G N 1.144 109.839 108.800 -0.175 0.000 2.646 201 G HA2 0.463 4.433 3.960 0.017 0.000 0.291 201 G HA3 0.463 4.433 3.960 0.017 0.000 0.291 201 G C -2.668 172.045 174.900 -0.311 0.000 1.445 201 G CA -0.692 43.940 45.100 -0.780 0.000 0.814 201 G HN 0.822 nan 8.290 nan 0.000 0.495 202 E N 0.354 120.332 120.200 -0.369 0.000 2.277 202 E HA 0.649 5.009 4.350 0.017 0.000 0.266 202 E C 0.761 177.330 176.600 -0.052 0.000 0.901 202 E CA 0.209 56.602 56.400 -0.011 0.000 0.782 202 E CB 2.223 32.046 29.700 0.204 0.000 1.228 202 E HN 0.745 nan 8.360 nan 0.000 0.424 203 S N 2.120 117.860 115.700 0.067 0.000 4.112 203 S HA -0.404 4.076 4.470 0.017 0.000 0.602 203 S C 1.494 176.198 174.600 0.173 0.000 1.939 203 S CA 2.240 60.560 58.200 0.200 0.000 4.230 203 S CB -1.546 61.731 63.200 0.127 0.000 0.245 203 S HN 0.916 nan 8.310 nan 0.000 0.530 204 A N 0.954 123.735 122.820 -0.064 0.000 1.940 204 A HA 0.075 4.405 4.320 0.017 0.000 0.219 204 A C 2.545 179.882 177.584 -0.412 0.000 1.176 204 A CA 2.637 54.415 52.037 -0.432 0.000 0.631 204 A CB -1.672 16.633 19.000 -1.157 0.000 0.814 204 A HN 1.618 nan 8.150 nan 0.000 0.446 205 G N -0.557 108.051 108.800 -0.319 0.000 2.440 205 G HA2 -0.039 3.931 3.960 0.017 0.000 0.218 205 G HA3 -0.039 3.931 3.960 0.017 0.000 0.218 205 G C 1.728 176.469 174.900 -0.265 0.000 1.154 205 G CA 1.526 46.399 45.100 -0.379 0.000 0.767 205 G HN 0.823 nan 8.290 nan 0.000 0.552 206 A N 1.226 123.960 122.820 -0.142 0.000 1.873 206 A HA 0.299 4.629 4.320 0.017 0.000 0.215 206 A C 2.854 180.433 177.584 -0.008 0.000 1.186 206 A CA 2.212 54.227 52.037 -0.036 0.000 0.616 206 A CB -0.903 18.132 19.000 0.059 0.000 0.823 206 A HN 0.853 nan 8.150 nan 0.000 0.442 207 A N -0.387 122.452 122.820 0.033 0.000 1.948 207 A HA -0.133 4.197 4.320 0.017 0.000 0.220 207 A C 2.438 180.049 177.584 0.044 0.000 1.177 207 A CA 2.290 54.344 52.037 0.027 0.000 0.636 207 A CB -0.866 18.179 19.000 0.075 0.000 0.815 207 A HN 0.467 nan 8.150 nan 0.000 0.449 208 S N -0.623 115.093 115.700 0.027 0.000 2.355 208 S HA -0.109 4.371 4.470 0.017 0.000 0.222 208 S C 1.905 176.480 174.600 -0.042 0.000 1.031 208 S CA 1.271 59.452 58.200 -0.030 0.000 0.993 208 S CB -0.509 62.621 63.200 -0.117 0.000 0.859 208 S HN 0.352 nan 8.310 nan 0.000 0.453 209 V N 1.872 121.773 119.914 -0.021 0.000 2.282 209 V HA -0.212 3.918 4.120 0.017 0.000 0.249 209 V C 2.627 178.732 176.094 0.017 0.000 1.057 209 V CA 2.092 64.387 62.300 -0.009 0.000 1.032 209 V CB -1.525 30.265 31.823 -0.056 0.000 0.645 209 V HN 0.600 nan 8.190 nan 0.000 0.447 210 G N -1.134 107.671 108.800 0.007 0.000 2.418 210 G HA2 -0.288 3.683 3.960 0.017 0.000 0.217 210 G HA3 -0.288 3.683 3.960 0.017 0.000 0.217 210 G C 1.634 176.565 174.900 0.051 0.000 1.158 210 G CA 1.163 46.273 45.100 0.016 0.000 0.771 210 G HN 0.435 nan 8.290 nan 0.000 0.545 211 M N -0.130 119.485 119.600 0.025 0.000 2.117 211 M HA -0.031 4.459 4.480 0.017 0.000 0.262 211 M C 2.403 178.781 176.300 0.131 0.000 1.065 211 M CA 1.105 56.450 55.300 0.075 0.000 1.114 211 M CB -0.329 32.302 32.600 0.051 0.000 1.361 211 M HN 0.226 nan 8.290 nan 0.000 0.408 212 H N -0.098 119.096 119.070 0.207 0.000 2.352 212 H HA -0.124 4.442 4.556 0.017 0.000 0.299 212 H C 2.176 177.685 175.328 0.301 0.000 1.097 212 H CA 1.816 57.989 56.048 0.209 0.000 1.311 212 H CB -0.650 29.133 29.762 0.036 0.000 1.377 212 H HN 0.403 nan 8.280 nan 0.000 0.504 213 I N 0.686 121.504 120.570 0.413 0.000 2.248 213 I HA -0.270 3.910 4.170 0.017 0.000 0.248 213 I C 1.836 178.137 176.117 0.307 0.000 1.107 213 I CA 1.227 62.787 61.300 0.434 0.000 1.373 213 I CB -0.111 38.051 38.000 0.270 0.000 1.055 213 I HN 0.101 nan 8.210 nan 0.000 0.418 214 L N -1.007 120.345 121.223 0.216 0.000 2.628 214 L HA 0.157 4.507 4.340 0.017 0.000 0.229 214 L C 0.671 177.571 176.870 0.050 0.000 1.137 214 L CA -0.055 54.884 54.840 0.165 0.000 0.909 214 L CB 0.080 42.225 42.059 0.142 0.000 1.137 214 L HN 0.007 nan 8.230 nan 0.000 0.470 215 S N -0.350 115.344 115.700 -0.009 0.000 2.659 215 S HA 0.418 4.898 4.470 0.017 0.000 0.312 215 S C 0.999 175.522 174.600 -0.129 0.000 1.114 215 S CA -0.663 57.408 58.200 -0.216 0.000 1.063 215 S CB 1.028 63.790 63.200 -0.729 0.000 0.996 215 S HN 0.191 nan 8.310 nan 0.000 0.478 216 L N 4.945 126.100 121.223 -0.114 0.000 2.012 216 L HA -0.021 4.329 4.340 0.017 0.000 0.210 216 L C -0.761 176.072 176.870 -0.062 0.000 1.073 216 L CA 1.269 56.066 54.840 -0.073 0.000 0.748 216 L CB -1.684 40.333 42.059 -0.070 0.000 0.891 216 L HN 0.475 nan 8.230 nan 0.000 0.431 217 P HA -0.097 nan 4.420 nan 0.000 0.221 217 P C 1.552 178.865 177.300 0.023 0.000 1.145 217 P CA 1.149 64.228 63.100 -0.035 0.000 0.795 217 P CB 0.083 31.756 31.700 -0.044 0.000 0.775 218 S N -1.061 114.671 115.700 0.054 0.000 2.470 218 S HA 0.034 4.514 4.470 0.017 0.000 0.225 218 S C 1.776 176.525 174.600 0.248 0.000 1.006 218 S CA 0.378 58.711 58.200 0.222 0.000 0.934 218 S CB -0.316 63.146 63.200 0.437 0.000 0.778 218 S HN 0.070 nan 8.310 nan 0.000 0.517 219 R N 2.035 122.576 120.500 0.068 0.000 2.189 219 R HA 0.066 4.416 4.340 0.017 0.000 0.223 219 R C 1.796 177.937 176.300 -0.264 0.000 1.092 219 R CA 0.913 56.908 56.100 -0.175 0.000 0.989 219 R CB -0.864 29.352 30.300 -0.140 0.000 0.876 219 R HN 0.514 nan 8.270 nan 0.000 0.457 220 S N -0.323 115.318 115.700 -0.099 0.000 2.660 220 S HA 0.167 4.648 4.470 0.017 0.000 0.227 220 S C 1.402 176.001 174.600 -0.002 0.000 0.948 220 S CA -0.090 58.065 58.200 -0.074 0.000 0.948 220 S CB -0.082 63.097 63.200 -0.034 0.000 0.779 220 S HN 0.172 nan 8.310 nan 0.000 0.487 221 L N 0.375 121.632 121.223 0.057 0.000 2.858 221 L HA 0.519 4.870 4.340 0.017 0.000 0.251 221 L C -0.202 176.856 176.870 0.313 0.000 1.149 221 L CA -0.358 54.587 54.840 0.175 0.000 0.955 221 L CB 0.193 42.367 42.059 0.191 0.000 1.289 221 L HN 0.507 nan 8.230 nan 0.000 0.542 222 F N -4.658 115.337 119.950 0.074 0.000 2.773 222 F HA 0.463 5.000 4.527 0.017 0.000 0.314 222 F C 0.201 176.093 175.800 0.154 0.000 1.160 222 F CA -0.981 57.088 58.000 0.115 0.000 0.920 222 F CB 0.925 39.970 39.000 0.075 0.000 1.323 222 F HN -0.244 nan 8.300 nan 0.000 0.457 223 H N -0.601 118.512 119.070 0.073 0.000 2.501 223 H HA 0.530 5.096 4.556 0.017 0.000 0.281 223 H C -0.126 175.244 175.328 0.069 0.000 0.988 223 H CA 0.554 56.578 56.048 -0.039 0.000 1.232 223 H CB 0.601 30.343 29.762 -0.033 0.000 1.455 223 H HN 0.478 nan 8.280 nan 0.000 0.501 224 R N -0.446 120.268 120.500 0.356 0.000 2.867 224 R HA 0.786 5.136 4.340 0.017 0.000 0.268 224 R C -1.383 175.172 176.300 0.425 0.000 1.014 224 R CA -0.821 55.444 56.100 0.276 0.000 0.946 224 R CB 2.591 32.858 30.300 -0.056 0.000 1.208 224 R HN 0.151 nan 8.270 nan 0.000 0.477 225 A N 0.910 123.976 122.820 0.409 0.000 2.515 225 A HA 0.696 5.026 4.320 0.017 0.000 0.298 225 A C -1.438 176.311 177.584 0.276 0.000 1.059 225 A CA -0.618 51.594 52.037 0.292 0.000 0.698 225 A CB 1.923 21.058 19.000 0.226 0.000 1.289 225 A HN 0.324 nan 8.150 nan 0.000 0.404 226 V N 1.928 121.970 119.914 0.213 0.000 2.483 226 V HA 0.476 4.606 4.120 0.017 0.000 0.297 226 V C -1.213 174.987 176.094 0.177 0.000 1.027 226 V CA -0.284 62.093 62.300 0.129 0.000 0.855 226 V CB 1.296 33.224 31.823 0.175 0.000 0.995 226 V HN 0.684 nan 8.190 nan 0.000 0.424 227 L N 5.213 126.505 121.223 0.116 0.000 2.318 227 L HA 0.524 4.875 4.340 0.017 0.000 0.277 227 L C 0.049 177.021 176.870 0.170 0.000 1.008 227 L CA 0.066 54.970 54.840 0.107 0.000 0.846 227 L CB 1.454 43.532 42.059 0.031 0.000 1.220 227 L HN 0.617 nan 8.230 nan 0.000 0.423 228 Q N 2.177 122.128 119.800 0.252 0.000 2.372 228 Q HA 0.435 4.785 4.340 0.017 0.000 0.259 228 Q C 0.105 176.243 176.000 0.230 0.000 0.993 228 Q CA -0.479 55.532 55.803 0.346 0.000 0.854 228 Q CB 1.266 30.289 28.738 0.476 0.000 1.231 228 Q HN 0.646 nan 8.270 nan 0.000 0.462 229 S N 0.875 116.694 115.700 0.199 0.000 3.698 229 S HA -0.157 4.323 4.470 0.017 0.000 0.338 229 S C 0.050 174.848 174.600 0.330 0.000 1.089 229 S CA 0.530 58.875 58.200 0.241 0.000 0.991 229 S CB -1.228 62.114 63.200 0.236 0.000 0.909 229 S HN 1.009 nan 8.310 nan 0.000 0.485 230 G N -0.568 108.382 108.800 0.250 0.000 2.519 230 G HA2 0.665 4.635 3.960 0.017 0.000 0.292 230 G HA3 0.665 4.635 3.960 0.017 0.000 0.292 230 G C -0.950 174.024 174.900 0.124 0.000 1.507 230 G CA 0.270 45.567 45.100 0.329 0.000 0.806 230 G HN 1.087 nan 8.290 nan 0.000 0.523 231 T N -1.632 112.932 114.554 0.016 0.000 2.889 231 T HA 0.726 5.086 4.350 0.017 0.000 0.315 231 T C -2.491 172.076 174.700 -0.221 0.000 1.291 231 T CA -1.217 60.821 62.100 -0.103 0.000 1.028 231 T CB 2.861 71.652 68.868 -0.128 0.000 1.235 231 T HN 0.269 nan 8.240 nan 0.000 0.491 232 P HA -0.009 nan 4.420 nan 0.000 0.217 232 P C 0.470 177.628 177.300 -0.236 0.000 1.154 232 P CA 0.703 63.698 63.100 -0.174 0.000 0.841 232 P CB -0.202 31.450 31.700 -0.080 0.000 0.788 233 N N 0.884 119.466 118.700 -0.198 0.000 2.326 233 N HA 0.226 4.976 4.740 0.017 0.000 0.239 233 N C 0.800 176.117 175.510 -0.321 0.000 1.301 233 N CA 0.981 53.909 53.050 -0.203 0.000 0.909 233 N CB -0.120 38.287 38.487 -0.134 0.000 1.156 233 N HN 0.266 nan 8.380 nan 0.000 0.462 234 G N -0.826 107.797 108.800 -0.295 0.000 2.462 234 G HA2 -0.105 3.865 3.960 0.017 0.000 0.685 234 G HA3 -0.105 3.865 3.960 0.017 0.000 0.685 234 G C -2.264 172.399 174.900 -0.394 0.000 1.295 234 G CA -0.227 44.648 45.100 -0.376 0.000 0.941 234 G HN 0.506 nan 8.290 nan 0.000 0.554 235 P HA 0.085 nan 4.420 nan 0.000 0.227 235 P C 1.442 178.673 177.300 -0.115 0.000 1.161 235 P CA 2.097 65.063 63.100 -0.223 0.000 0.788 235 P CB -0.020 31.507 31.700 -0.289 0.000 0.822 236 W N -1.492 119.718 121.300 -0.149 0.000 2.873 236 W HA 0.558 5.227 4.660 0.016 0.000 0.282 236 W C 1.196 177.790 176.519 0.125 0.000 1.118 236 W CA 0.441 57.772 57.345 -0.024 0.000 1.480 236 W CB -0.799 28.687 29.460 0.043 0.000 0.954 236 W HN -0.176 nan 8.180 nan 0.000 0.591 237 A N 1.932 124.437 122.820 -0.524 0.000 2.119 237 A HA 0.133 4.463 4.320 0.017 0.000 0.216 237 A C 1.136 178.587 177.584 -0.222 0.000 1.152 237 A CA 1.780 53.580 52.037 -0.395 0.000 0.708 237 A CB -0.788 17.726 19.000 -0.811 0.000 0.805 237 A HN 0.239 nan 8.150 nan 0.000 0.460 238 T N -3.182 111.252 114.554 -0.201 0.000 2.865 238 T HA 0.631 4.991 4.350 0.017 0.000 0.294 238 T C -0.625 174.004 174.700 -0.119 0.000 1.119 238 T CA -0.130 61.864 62.100 -0.176 0.000 1.007 238 T CB 1.467 70.240 68.868 -0.158 0.000 1.225 238 T HN 0.841 nan 8.240 nan 0.000 0.515 239 V N -1.385 118.466 119.914 -0.104 0.000 3.040 239 V HA 0.895 5.025 4.120 0.017 0.000 0.312 239 V C 0.242 176.298 176.094 -0.063 0.000 1.115 239 V CA -0.970 61.282 62.300 -0.081 0.000 0.998 239 V CB 1.368 33.141 31.823 -0.084 0.000 1.042 239 V HN 1.351 nan 8.190 nan 0.000 0.433 240 S N 1.746 117.413 115.700 -0.055 0.000 2.600 240 S HA 0.591 5.071 4.470 0.017 0.000 0.265 240 S C 1.462 176.044 174.600 -0.030 0.000 1.325 240 S CA 0.099 58.276 58.200 -0.039 0.000 1.002 240 S CB 1.189 64.366 63.200 -0.039 0.000 0.921 240 S HN 1.975 nan 8.310 nan 0.000 0.554 241 A N 2.499 125.308 122.820 -0.018 0.000 1.869 241 A HA -0.007 4.323 4.320 0.017 0.000 0.218 241 A C 2.316 179.891 177.584 -0.015 0.000 1.203 241 A CA 2.231 54.262 52.037 -0.010 0.000 0.638 241 A CB -2.065 16.933 19.000 -0.004 0.000 0.831 241 A HN 1.286 nan 8.150 nan 0.000 0.450 242 G N -0.619 108.169 108.800 -0.020 0.000 2.513 242 G HA2 -0.346 3.624 3.960 0.017 0.000 0.219 242 G HA3 -0.346 3.624 3.960 0.017 0.000 0.219 242 G C 1.473 176.354 174.900 -0.032 0.000 1.160 242 G CA 1.656 46.742 45.100 -0.024 0.000 0.767 242 G HN 0.614 nan 8.290 nan 0.000 0.571 243 E N 0.856 121.031 120.200 -0.042 0.000 2.106 243 E HA 0.089 4.449 4.350 0.017 0.000 0.192 243 E C 2.640 179.201 176.600 -0.064 0.000 0.984 243 E CA 1.429 57.793 56.400 -0.060 0.000 0.806 243 E CB -0.530 29.125 29.700 -0.074 0.000 0.750 243 E HN 0.320 nan 8.360 nan 0.000 0.458 244 A N 0.704 123.499 122.820 -0.042 0.000 1.872 244 A HA -0.117 4.213 4.320 0.017 0.000 0.214 244 A C 2.278 179.866 177.584 0.007 0.000 1.187 244 A CA 1.551 53.578 52.037 -0.015 0.000 0.614 244 A CB -0.593 18.419 19.000 0.018 0.000 0.826 244 A HN 0.259 nan 8.150 nan 0.000 0.442 245 R N -0.524 119.975 120.500 -0.003 0.000 2.103 245 R HA -0.167 4.183 4.340 0.017 0.000 0.242 245 R C 2.442 178.739 176.300 -0.005 0.000 1.142 245 R CA 1.771 57.869 56.100 -0.003 0.000 0.960 245 R CB -0.286 30.008 30.300 -0.010 0.000 0.858 245 R HN 0.517 nan 8.270 nan 0.000 0.439 246 R N 0.210 120.698 120.500 -0.019 0.000 2.070 246 R HA -0.108 4.242 4.340 0.017 0.000 0.233 246 R C 2.347 178.636 176.300 -0.019 0.000 1.137 246 R CA 1.848 57.933 56.100 -0.025 0.000 0.945 246 R CB -0.100 30.174 30.300 -0.042 0.000 0.845 246 R HN 0.270 nan 8.270 nan 0.000 0.430 247 R N -0.147 120.327 120.500 -0.043 0.000 2.073 247 R HA -0.092 4.258 4.340 0.017 0.000 0.234 247 R C 2.366 178.734 176.300 0.113 0.000 1.134 247 R CA 1.453 57.520 56.100 -0.056 0.000 0.952 247 R CB -0.440 29.689 30.300 -0.284 0.000 0.850 247 R HN 0.236 nan 8.270 nan 0.000 0.433 248 A N 0.716 123.636 122.820 0.166 0.000 1.883 248 A HA -0.183 4.147 4.320 0.017 0.000 0.217 248 A C 2.238 179.855 177.584 0.055 0.000 1.186 248 A CA 2.118 54.251 52.037 0.160 0.000 0.624 248 A CB -1.032 18.000 19.000 0.054 0.000 0.822 248 A HN 0.313 nan 8.150 nan 0.000 0.444 249 T N 0.161 114.729 114.554 0.024 0.000 2.652 249 T HA -0.189 4.171 4.350 0.017 0.000 0.267 249 T C 1.852 176.560 174.700 0.014 0.000 1.039 249 T CA 1.675 63.778 62.100 0.005 0.000 1.153 249 T CB -0.470 68.396 68.868 -0.003 0.000 0.863 249 T HN 0.336 nan 8.240 nan 0.000 0.428 250 L N 1.010 122.248 121.223 0.026 0.000 2.012 250 L HA 0.024 4.375 4.340 0.017 0.000 0.210 250 L C 2.239 179.135 176.870 0.045 0.000 1.073 250 L CA 1.499 56.356 54.840 0.028 0.000 0.748 250 L CB -0.976 41.098 42.059 0.024 0.000 0.891 250 L HN 0.214 nan 8.230 nan 0.000 0.431 251 L N -0.157 121.124 121.223 0.096 0.000 2.042 251 L HA -0.171 4.179 4.340 0.017 0.000 0.210 251 L C 2.530 179.411 176.870 0.017 0.000 1.076 251 L CA 2.119 57.021 54.840 0.103 0.000 0.749 251 L CB -0.924 41.254 42.059 0.199 0.000 0.893 251 L HN 0.320 nan 8.230 nan 0.000 0.432 252 A N -0.488 122.333 122.820 0.002 0.000 1.873 252 A HA -0.295 4.036 4.320 0.017 0.000 0.218 252 A C 2.525 180.093 177.584 -0.028 0.000 1.193 252 A CA 2.097 54.123 52.037 -0.019 0.000 0.629 252 A CB -0.765 18.221 19.000 -0.023 0.000 0.826 252 A HN 0.498 nan 8.150 nan 0.000 0.447 253 R N -0.716 119.770 120.500 -0.023 0.000 2.091 253 R HA -0.104 4.246 4.340 0.017 0.000 0.238 253 R C 1.995 178.258 176.300 -0.062 0.000 1.136 253 R CA 1.648 57.730 56.100 -0.030 0.000 0.959 253 R CB -0.444 29.846 30.300 -0.016 0.000 0.856 253 R HN 0.579 nan 8.270 nan 0.000 0.437 254 L N 0.392 121.559 121.223 -0.093 0.000 2.275 254 L HA -0.087 4.263 4.340 0.017 0.000 0.215 254 L C 1.795 178.472 176.870 -0.322 0.000 1.119 254 L CA 0.560 55.268 54.840 -0.219 0.000 0.790 254 L CB 0.089 41.991 42.059 -0.262 0.000 0.919 254 L HN 0.141 nan 8.230 nan 0.000 0.443 255 V N -4.498 115.310 119.914 -0.178 0.000 3.319 255 V HA 0.563 4.693 4.120 0.017 0.000 0.317 255 V C 1.159 177.223 176.094 -0.050 0.000 1.411 255 V CA 0.255 62.485 62.300 -0.115 0.000 1.112 255 V CB -0.035 31.766 31.823 -0.037 0.000 1.031 255 V HN 0.381 nan 8.190 nan 0.000 0.448 256 G N -0.291 108.480 108.800 -0.049 0.000 2.175 256 G HA2 -0.232 3.738 3.960 0.017 0.000 0.244 256 G HA3 -0.232 3.738 3.960 0.017 0.000 0.244 256 G C 0.116 175.009 174.900 -0.012 0.000 0.982 256 G CA -0.060 45.026 45.100 -0.023 0.000 0.641 256 G HN 0.688 nan 8.290 nan 0.000 0.527 257 c N 2.572 121.164 118.600 -0.013 0.000 2.330 257 c HA 0.761 5.342 4.570 0.017 0.000 0.344 257 c C -1.033 173.051 174.090 -0.009 0.000 1.273 257 c CA -1.063 55.263 56.329 -0.006 0.000 1.879 257 c CB 1.280 43.790 42.510 -0.001 0.000 2.376 257 c HN 0.483 nan 8.230 nan 0.000 0.534 266 D N -0.092 120.306 120.400 -0.004 0.000 2.097 266 D HA -0.071 4.579 4.640 0.017 0.000 0.197 266 D C 1.102 177.401 176.300 -0.002 0.000 0.984 266 D CA 2.172 56.167 54.000 -0.009 0.000 0.826 266 D CB -0.516 40.279 40.800 -0.009 0.000 0.973 266 D HN 0.695 nan 8.370 nan 0.000 0.460 267 T N 1.196 115.754 114.554 0.006 0.000 2.597 267 T HA -0.206 4.155 4.350 0.017 0.000 0.267 267 T C 1.821 176.531 174.700 0.017 0.000 1.053 267 T CA 1.601 63.710 62.100 0.015 0.000 1.165 267 T CB -0.336 68.541 68.868 0.016 0.000 0.863 267 T HN 0.289 nan 8.240 nan 0.000 0.427 268 E N 0.338 120.545 120.200 0.012 0.000 2.058 268 E HA -0.102 4.258 4.350 0.017 0.000 0.194 268 E C 2.238 178.845 176.600 0.012 0.000 0.997 268 E CA 0.929 57.336 56.400 0.012 0.000 0.801 268 E CB -0.295 29.409 29.700 0.008 0.000 0.746 268 E HN 0.339 nan 8.360 nan 0.000 0.450 269 L N 0.618 121.843 121.223 0.003 0.000 2.017 269 L HA -0.204 4.146 4.340 0.017 0.000 0.208 269 L C 2.205 179.073 176.870 -0.002 0.000 1.073 269 L CA 1.258 56.094 54.840 -0.006 0.000 0.745 269 L CB -0.058 41.988 42.059 -0.021 0.000 0.894 269 L HN 0.127 nan 8.230 nan 0.000 0.432 270 I N -0.572 119.999 120.570 0.002 0.000 2.353 270 I HA -0.224 3.956 4.170 0.017 0.000 0.248 270 I C 2.634 178.809 176.117 0.096 0.000 1.119 270 I CA 1.039 62.357 61.300 0.030 0.000 1.417 270 I CB -0.445 37.572 38.000 0.028 0.000 1.078 270 I HN 0.290 nan 8.210 nan 0.000 0.421 271 A N -0.485 122.374 122.820 0.065 0.000 1.940 271 A HA -0.301 4.030 4.320 0.017 0.000 0.219 271 A C 2.495 180.117 177.584 0.064 0.000 1.176 271 A CA 2.006 54.082 52.037 0.064 0.000 0.631 271 A CB -1.336 17.689 19.000 0.042 0.000 0.814 271 A HN 0.623 nan 8.150 nan 0.000 0.446 272 c N -0.793 117.839 118.600 0.052 0.000 2.467 272 c HA 0.151 4.731 4.570 0.017 0.000 0.279 272 c C 2.533 176.663 174.090 0.065 0.000 1.347 272 c CA 0.748 57.104 56.329 0.045 0.000 1.748 272 c CB -1.533 40.993 42.510 0.027 0.000 1.977 272 c HN 0.575 nan 8.230 nan 0.000 0.501 273 L N 0.430 121.708 121.223 0.092 0.000 2.127 273 L HA -0.110 4.241 4.340 0.017 0.000 0.211 273 L C 2.910 179.906 176.870 0.209 0.000 1.089 273 L CA 1.453 56.387 54.840 0.157 0.000 0.757 273 L CB -0.613 41.553 42.059 0.178 0.000 0.899 273 L HN 0.348 nan 8.230 nan 0.000 0.434 274 R N -0.645 119.966 120.500 0.184 0.000 2.276 274 R HA -0.070 4.280 4.340 0.017 0.000 0.203 274 R C 1.989 178.310 176.300 0.036 0.000 1.017 274 R CA 1.430 57.582 56.100 0.086 0.000 1.010 274 R CB -0.171 30.173 30.300 0.074 0.000 0.900 274 R HN 0.472 nan 8.270 nan 0.000 0.469 275 T N -1.793 112.789 114.554 0.046 0.000 3.107 275 T HA 0.152 4.512 4.350 0.017 0.000 0.249 275 T C 0.799 175.513 174.700 0.024 0.000 1.096 275 T CA -0.165 61.950 62.100 0.026 0.000 1.012 275 T CB 0.202 69.085 68.868 0.026 0.000 0.977 275 T HN -0.159 nan 8.240 nan 0.000 0.527 276 R N 2.596 123.119 120.500 0.037 0.000 2.297 276 R HA 0.432 4.782 4.340 0.017 0.000 0.308 276 R C -2.732 173.582 176.300 0.024 0.000 1.029 276 R CA -2.627 53.495 56.100 0.037 0.000 0.929 276 R CB 0.345 30.678 30.300 0.055 0.000 1.046 276 R HN 0.225 nan 8.270 nan 0.000 0.461 277 P HA -0.080 nan 4.420 nan 0.000 0.266 277 P C 0.351 177.632 177.300 -0.032 0.000 1.186 277 P CA 0.329 63.415 63.100 -0.023 0.000 0.767 277 P CB 0.581 32.276 31.700 -0.008 0.000 0.820 278 A N 2.620 125.339 122.820 -0.169 0.000 1.902 278 A HA -0.254 4.076 4.320 0.017 0.000 0.217 278 A C 2.119 179.637 177.584 -0.111 0.000 1.181 278 A CA 1.811 53.709 52.037 -0.233 0.000 0.623 278 A CB -1.149 17.182 19.000 -1.115 0.000 0.818 278 A HN 0.529 nan 8.150 nan 0.000 0.443 279 Q N 0.084 119.807 119.800 -0.128 0.000 2.224 279 Q HA -0.132 4.219 4.340 0.017 0.000 0.203 279 Q C 1.134 177.222 176.000 0.146 0.000 0.970 279 Q CA 1.714 57.612 55.803 0.159 0.000 0.865 279 Q CB -0.379 28.483 28.738 0.207 0.000 0.922 279 Q HN 0.622 nan 8.270 nan 0.000 0.445 280 D N -0.550 119.910 120.400 0.100 0.000 2.144 280 D HA -0.137 4.513 4.640 0.017 0.000 0.199 280 D C 1.597 177.995 176.300 0.163 0.000 0.984 280 D CA 0.949 55.026 54.000 0.128 0.000 0.834 280 D CB -0.013 40.850 40.800 0.105 0.000 0.955 280 D HN 0.321 nan 8.370 nan 0.000 0.465 281 L N -0.085 121.217 121.223 0.131 0.000 2.068 281 L HA -0.074 4.276 4.340 0.017 0.000 0.204 281 L C 2.469 179.426 176.870 0.145 0.000 1.076 281 L CA 0.460 55.349 54.840 0.081 0.000 0.753 281 L CB -0.431 41.561 42.059 -0.112 0.000 0.910 281 L HN -0.067 nan 8.230 nan 0.000 0.439 282 V N 0.042 120.097 119.914 0.235 0.000 2.392 282 V HA -0.304 3.826 4.120 0.017 0.000 0.249 282 V C 2.138 178.369 176.094 0.228 0.000 1.059 282 V CA 1.842 64.331 62.300 0.316 0.000 1.051 282 V CB -0.567 31.538 31.823 0.470 0.000 0.658 282 V HN 0.420 nan 8.190 nan 0.000 0.455 283 D N -0.799 119.681 120.400 0.133 0.000 2.133 283 D HA -0.164 4.486 4.640 0.017 0.000 0.195 283 D C 1.869 178.035 176.300 -0.224 0.000 0.997 283 D CA 1.463 55.425 54.000 -0.062 0.000 0.840 283 D CB -0.226 40.452 40.800 -0.203 0.000 0.947 283 D HN 0.530 nan 8.370 nan 0.000 0.452 284 H N -0.445 118.641 119.070 0.028 0.000 2.594 284 H HA 0.154 4.721 4.556 0.017 0.000 0.279 284 H C 1.414 176.826 175.328 0.140 0.000 1.042 284 H CA -0.068 55.927 56.048 -0.088 0.000 1.177 284 H CB 0.652 30.357 29.762 -0.095 0.000 1.524 284 H HN 0.309 nan 8.280 nan 0.000 0.537 285 E N 0.621 121.027 120.200 0.344 0.000 2.153 285 E HA -0.175 4.185 4.350 0.017 0.000 0.194 285 E C 1.503 178.459 176.600 0.592 0.000 0.988 285 E CA 0.683 57.386 56.400 0.505 0.000 0.811 285 E CB 0.101 30.091 29.700 0.484 0.000 0.746 285 E HN 0.546 nan 8.360 nan 0.000 0.466 286 W N 0.194 121.615 121.300 0.203 0.000 2.658 286 W HA -0.044 4.626 4.660 0.016 0.000 0.263 286 W C 1.396 178.031 176.519 0.193 0.000 1.274 286 W CA 0.382 57.810 57.345 0.139 0.000 1.343 286 W CB 0.150 29.636 29.460 0.043 0.000 1.106 286 W HN 0.270 nan 8.180 nan 0.000 0.615 287 H N -0.208 118.989 119.070 0.211 0.000 2.563 287 H HA -0.081 4.486 4.556 0.017 0.000 0.272 287 H C 1.904 177.246 175.328 0.024 0.000 1.005 287 H CA 0.949 57.067 56.048 0.116 0.000 1.171 287 H CB 0.200 30.071 29.762 0.181 0.000 1.351 287 H HN 0.115 nan 8.280 nan 0.000 0.602 288 V N -1.600 118.370 119.914 0.093 0.000 3.647 288 V HA 0.143 4.273 4.120 0.017 0.000 0.279 288 V C 0.794 176.785 176.094 -0.171 0.000 1.314 288 V CA -0.031 62.250 62.300 -0.032 0.000 1.125 288 V CB -0.395 31.406 31.823 -0.037 0.000 0.907 288 V HN 0.076 nan 8.190 nan 0.000 0.434 289 L N 2.353 123.420 121.223 -0.261 0.000 2.453 289 L HA 0.226 4.576 4.340 0.017 0.000 0.272 289 L C -0.449 176.293 176.870 -0.214 0.000 1.182 289 L CA -0.973 53.670 54.840 -0.328 0.000 0.858 289 L CB 0.667 42.421 42.059 -0.508 0.000 1.120 289 L HN 0.140 nan 8.230 nan 0.000 0.474 290 P HA -0.058 nan 4.420 nan 0.000 0.225 290 P C -0.263 176.969 177.300 -0.113 0.000 1.156 290 P CA 0.947 63.971 63.100 -0.127 0.000 0.787 290 P CB 0.497 32.129 31.700 -0.112 0.000 0.802 291 Q N -0.992 118.728 119.800 -0.135 0.000 2.421 291 Q HA 0.314 4.664 4.340 0.017 0.000 0.280 291 Q C -0.594 175.330 176.000 -0.126 0.000 1.085 291 Q CA -0.729 55.008 55.803 -0.109 0.000 0.807 291 Q CB 1.797 30.481 28.738 -0.089 0.000 1.405 291 Q HN -0.049 nan 8.270 nan 0.000 0.419 292 E N 1.100 121.247 120.200 -0.088 0.000 2.465 292 E HA 0.238 4.598 4.350 0.017 0.000 0.260 292 E C -0.945 175.613 176.600 -0.069 0.000 0.980 292 E CA 0.296 56.655 56.400 -0.069 0.000 0.927 292 E CB 0.356 30.036 29.700 -0.034 0.000 0.934 292 E HN 0.617 nan 8.360 nan 0.000 0.459 293 S N 3.275 118.935 115.700 -0.066 0.000 2.615 293 S HA 0.575 5.055 4.470 0.017 0.000 0.268 293 S C -0.635 173.956 174.600 -0.016 0.000 1.146 293 S CA -1.015 57.147 58.200 -0.063 0.000 0.818 293 S CB 0.537 63.660 63.200 -0.128 0.000 1.111 293 S HN 0.541 nan 8.310 nan 0.000 0.465 294 I N -2.799 117.768 120.570 -0.006 0.000 2.892 294 I HA 0.835 5.015 4.170 0.017 0.000 0.306 294 I C -0.218 175.864 176.117 -0.059 0.000 1.078 294 I CA -1.208 60.116 61.300 0.040 0.000 1.032 294 I CB 1.140 39.219 38.000 0.132 0.000 1.229 294 I HN 0.788 nan 8.210 nan 0.000 0.435 295 F N 1.743 121.478 119.950 -0.358 0.000 3.074 295 F HA -0.183 4.354 4.527 0.016 0.000 0.287 295 F C -0.305 174.935 175.800 -0.934 0.000 0.932 295 F CA 0.648 58.170 58.000 -0.797 0.000 0.995 295 F CB -0.616 37.830 39.000 -0.923 0.000 0.966 295 F HN 0.579 nan 8.300 nan 0.000 0.721 296 R N 0.382 120.393 120.500 -0.816 0.000 2.686 296 R HA 0.660 5.010 4.340 0.017 0.000 0.283 296 R C -1.018 174.659 176.300 -1.037 0.000 0.978 296 R CA -0.616 55.008 56.100 -0.793 0.000 0.897 296 R CB 1.428 31.478 30.300 -0.418 0.000 1.192 296 R HN -0.000 nan 8.270 nan 0.000 0.457 297 F N -0.738 119.210 119.950 -0.003 0.000 2.551 297 F HA 0.344 4.881 4.527 0.017 0.000 0.316 297 F C 1.450 177.173 175.800 -0.129 0.000 1.089 297 F CA -0.817 57.196 58.000 0.022 0.000 0.915 297 F CB 1.905 41.158 39.000 0.422 0.000 1.186 297 F HN 0.362 nan 8.300 nan 0.000 0.456 298 S N 0.808 116.476 115.700 -0.054 0.000 2.368 298 S HA -0.005 4.475 4.470 0.017 0.000 0.224 298 S C -0.068 174.233 174.600 -0.498 0.000 1.029 298 S CA 1.147 59.140 58.200 -0.344 0.000 0.988 298 S CB -0.215 62.838 63.200 -0.245 0.000 0.838 298 S HN 0.371 nan 8.310 nan 0.000 0.462 299 F N 1.371 121.476 119.950 0.258 0.000 2.500 299 F HA 0.553 5.090 4.527 0.017 0.000 0.349 299 F C -0.141 175.757 175.800 0.163 0.000 1.127 299 F CA -0.973 57.164 58.000 0.228 0.000 0.998 299 F CB 1.545 40.718 39.000 0.289 0.000 1.237 299 F HN -0.116 nan 8.300 nan 0.000 0.439 300 V N 0.760 120.700 119.914 0.042 0.000 3.167 300 V HA 0.772 4.902 4.120 0.017 0.000 0.310 300 V C -2.946 172.807 176.094 -0.568 0.000 1.207 300 V CA -3.261 58.734 62.300 -0.508 0.000 1.059 300 V CB 2.078 33.790 31.823 -0.184 0.000 1.079 300 V HN 0.244 nan 8.190 nan 0.000 0.446 301 P HA 0.219 nan 4.420 nan 0.000 0.267 301 P C -0.680 176.499 177.300 -0.202 0.000 1.200 301 P CA 0.338 63.172 63.100 -0.443 0.000 0.772 301 P CB 0.741 32.110 31.700 -0.552 0.000 0.855 302 V N 4.098 123.972 119.914 -0.068 0.000 2.732 302 V HA 0.273 4.403 4.120 0.017 0.000 0.310 302 V C -0.425 175.659 176.094 -0.015 0.000 1.053 302 V CA -0.874 61.407 62.300 -0.032 0.000 0.957 302 V CB 2.133 33.965 31.823 0.015 0.000 1.018 302 V HN 0.119 nan 8.190 nan 0.000 0.452 303 V N 6.706 126.611 119.914 -0.015 0.000 2.313 303 V HA 0.224 4.354 4.120 0.017 0.000 0.252 303 V C 0.635 176.741 176.094 0.019 0.000 1.112 303 V CA 0.157 62.460 62.300 0.004 0.000 0.984 303 V CB 0.334 32.150 31.823 -0.013 0.000 1.157 303 V HN 1.054 nan 8.190 nan 0.000 0.493 304 D N 2.661 123.088 120.400 0.045 0.000 2.360 304 D HA 0.112 4.762 4.640 0.017 0.000 0.210 304 D C 1.525 177.852 176.300 0.046 0.000 1.047 304 D CA 0.634 54.663 54.000 0.048 0.000 0.854 304 D CB 0.400 41.243 40.800 0.071 0.000 0.936 304 D HN 0.659 nan 8.370 nan 0.000 0.514 305 G N 0.656 109.482 108.800 0.043 0.000 2.153 305 G HA2 -0.324 3.646 3.960 0.017 0.000 0.252 305 G HA3 -0.324 3.646 3.960 0.017 0.000 0.252 305 G C 0.327 175.251 174.900 0.040 0.000 0.994 305 G CA 0.809 45.929 45.100 0.032 0.000 0.698 305 G HN 0.559 nan 8.290 nan 0.000 0.521 306 D N -1.915 118.526 120.400 0.068 0.000 2.912 306 D HA 0.207 4.857 4.640 0.017 0.000 0.170 306 D C 1.628 177.985 176.300 0.096 0.000 1.484 306 D CA 0.452 54.497 54.000 0.076 0.000 1.542 306 D CB -0.705 40.152 40.800 0.095 0.000 1.344 306 D HN 0.082 nan 8.370 nan 0.000 0.222 307 F N 1.314 121.278 119.950 0.023 0.000 2.095 307 F HA 0.201 4.738 4.527 0.017 0.000 0.298 307 F C 0.536 176.344 175.800 0.014 0.000 1.104 307 F CA 1.249 59.264 58.000 0.025 0.000 1.232 307 F CB 0.174 39.189 39.000 0.024 0.000 0.987 307 F HN -0.014 nan 8.300 nan 0.000 0.475 308 L N 0.817 122.201 121.223 0.270 0.000 2.295 308 L HA 0.201 4.551 4.340 0.017 0.000 0.281 308 L C 1.312 178.224 176.870 0.070 0.000 1.018 308 L CA -0.201 54.728 54.840 0.149 0.000 0.841 308 L CB 1.435 43.587 42.059 0.154 0.000 1.218 308 L HN 0.087 nan 8.230 nan 0.000 0.424 309 S N 0.476 116.193 115.700 0.028 0.000 2.453 309 S HA 0.003 4.483 4.470 0.017 0.000 0.231 309 S C 0.473 175.079 174.600 0.010 0.000 1.005 309 S CA 0.464 58.671 58.200 0.013 0.000 0.949 309 S CB 0.201 63.397 63.200 -0.007 0.000 0.774 309 S HN 0.706 nan 8.310 nan 0.000 0.510 310 D N 0.123 120.530 120.400 0.012 0.000 2.759 310 D HA 0.280 4.930 4.640 0.017 0.000 0.321 310 D C -0.872 175.431 176.300 0.005 0.000 1.267 310 D CA 0.052 54.055 54.000 0.005 0.000 0.933 310 D CB 1.453 42.253 40.800 -0.001 0.000 1.431 310 D HN 0.248 nan 8.370 nan 0.000 0.504 311 T N -0.894 113.657 114.554 -0.006 0.000 2.932 311 T HA 0.214 4.574 4.350 0.017 0.000 0.312 311 T C -1.805 172.889 174.700 -0.010 0.000 1.071 311 T CA -0.702 61.388 62.100 -0.018 0.000 1.128 311 T CB 1.003 69.853 68.868 -0.030 0.000 0.984 311 T HN 0.091 nan 8.240 nan 0.000 0.549 312 P HA -0.113 nan 4.420 nan 0.000 0.216 312 P C 1.343 178.639 177.300 -0.007 0.000 1.150 312 P CA 1.142 64.233 63.100 -0.016 0.000 0.843 312 P CB 0.071 31.734 31.700 -0.061 0.000 0.787 313 E N -0.477 119.707 120.200 -0.026 0.000 2.031 313 E HA -0.156 4.204 4.350 0.017 0.000 0.193 313 E C 2.181 178.786 176.600 0.008 0.000 0.994 313 E CA 1.634 58.025 56.400 -0.015 0.000 0.800 313 E CB -1.184 28.499 29.700 -0.028 0.000 0.752 313 E HN 0.116 nan 8.360 nan 0.000 0.447 314 A N 0.588 123.410 122.820 0.003 0.000 1.908 314 A HA -0.185 4.145 4.320 0.017 0.000 0.218 314 A C 2.205 179.804 177.584 0.025 0.000 1.181 314 A CA 1.365 53.407 52.037 0.009 0.000 0.627 314 A CB -0.732 18.268 19.000 -0.000 0.000 0.818 314 A HN 0.209 nan 8.150 nan 0.000 0.445 315 L N -0.163 121.083 121.223 0.039 0.000 2.156 315 L HA -0.107 4.243 4.340 0.017 0.000 0.208 315 L C 2.553 179.511 176.870 0.146 0.000 1.095 315 L CA 1.365 56.244 54.840 0.066 0.000 0.770 315 L CB -0.583 41.520 42.059 0.074 0.000 0.914 315 L HN 0.683 nan 8.230 nan 0.000 0.439 316 I N -2.962 117.703 120.570 0.159 0.000 2.617 316 I HA -0.101 4.079 4.170 0.017 0.000 0.256 316 I C 1.766 178.005 176.117 0.204 0.000 1.167 316 I CA 1.122 62.572 61.300 0.249 0.000 1.469 316 I CB -0.400 37.668 38.000 0.113 0.000 1.098 316 I HN 0.151 nan 8.210 nan 0.000 0.436 317 N N 1.384 120.146 118.700 0.103 0.000 2.459 317 N HA -0.087 4.663 4.740 0.017 0.000 0.181 317 N C 1.683 177.223 175.510 0.050 0.000 1.046 317 N CA 1.874 54.966 53.050 0.071 0.000 0.904 317 N CB -0.183 38.327 38.487 0.037 0.000 0.964 317 N HN 0.705 nan 8.380 nan 0.000 0.444 318 T N -4.451 110.121 114.554 0.029 0.000 3.016 318 T HA 0.303 4.663 4.350 0.017 0.000 0.271 318 T C 0.976 175.612 174.700 -0.107 0.000 0.968 318 T CA -0.265 61.819 62.100 -0.027 0.000 0.891 318 T CB 0.079 68.930 68.868 -0.029 0.000 1.149 318 T HN 0.029 nan 8.240 nan 0.000 0.524 319 G N 0.757 109.451 108.800 -0.175 0.000 2.667 319 G HA2 0.410 4.380 3.960 0.017 0.000 0.250 319 G HA3 0.410 4.380 3.960 0.017 0.000 0.250 319 G C -1.089 173.413 174.900 -0.664 0.000 1.212 319 G CA -0.290 44.474 45.100 -0.559 0.000 0.874 319 G HN 0.287 nan 8.290 nan 0.000 0.561 320 D N -0.255 119.693 120.400 -0.753 0.000 2.414 320 D HA 0.382 5.032 4.640 0.017 0.000 0.232 320 D C -0.546 175.435 176.300 -0.531 0.000 1.070 320 D CA -0.645 53.068 54.000 -0.478 0.000 0.839 320 D CB 0.934 41.584 40.800 -0.249 0.000 1.079 320 D HN 0.068 nan 8.370 nan 0.000 0.521 321 F N 1.676 121.619 119.950 -0.011 0.000 2.698 321 F HA 0.223 4.760 4.527 0.017 0.000 0.304 321 F C 2.115 177.908 175.800 -0.012 0.000 1.108 321 F CA -0.271 57.724 58.000 -0.008 0.000 1.263 321 F CB 0.253 39.259 39.000 0.009 0.000 1.013 321 F HN 0.367 nan 8.300 nan 0.000 0.532 322 Q N 0.723 120.580 119.800 0.096 0.000 2.135 322 Q HA -0.192 4.158 4.340 0.017 0.000 0.204 322 Q C 1.540 177.564 176.000 0.041 0.000 0.981 322 Q CA 1.747 57.584 55.803 0.057 0.000 0.856 322 Q CB -0.095 28.652 28.738 0.015 0.000 0.902 322 Q HN 0.468 nan 8.270 nan 0.000 0.425 323 D N -0.395 120.017 120.400 0.020 0.000 2.363 323 D HA -0.068 4.583 4.640 0.017 0.000 0.226 323 D C 0.201 176.492 176.300 -0.015 0.000 1.020 323 D CA 0.144 54.131 54.000 -0.022 0.000 0.892 323 D CB 0.005 40.760 40.800 -0.076 0.000 0.900 323 D HN 0.074 nan 8.370 nan 0.000 0.531 324 L N 0.551 121.805 121.223 0.051 0.000 2.329 324 L HA 0.392 4.742 4.340 0.017 0.000 0.279 324 L C -0.939 175.983 176.870 0.087 0.000 1.014 324 L CA -0.514 54.366 54.840 0.067 0.000 0.814 324 L CB 1.983 44.118 42.059 0.126 0.000 1.257 324 L HN -0.245 nan 8.230 nan 0.000 0.424 325 Q N 3.051 122.919 119.800 0.114 0.000 2.333 325 Q HA 0.769 5.120 4.340 0.017 0.000 0.267 325 Q C -1.489 174.719 176.000 0.346 0.000 1.012 325 Q CA -0.495 55.430 55.803 0.203 0.000 0.824 325 Q CB 2.566 31.387 28.738 0.140 0.000 1.290 325 Q HN 0.466 nan 8.270 nan 0.000 0.449 326 V N 2.344 122.458 119.914 0.332 0.000 2.760 326 V HA 0.494 4.624 4.120 0.017 0.000 0.309 326 V C -1.416 174.665 176.094 -0.021 0.000 1.077 326 V CA -0.908 61.514 62.300 0.202 0.000 0.910 326 V CB 1.900 33.747 31.823 0.041 0.000 1.008 326 V HN 0.584 nan 8.190 nan 0.000 0.424 327 L N 6.358 127.383 121.223 -0.331 0.000 2.305 327 L HA 0.869 5.219 4.340 0.017 0.000 0.284 327 L C -0.390 176.362 176.870 -0.198 0.000 1.013 327 L CA -0.147 54.365 54.840 -0.547 0.000 0.819 327 L CB 1.562 42.841 42.059 -1.299 0.000 1.227 327 L HN 0.648 nan 8.230 nan 0.000 0.417 328 V N 2.121 121.973 119.914 -0.104 0.000 2.914 328 V HA 1.131 5.261 4.120 0.017 0.000 0.314 328 V C -0.073 175.788 176.094 -0.388 0.000 1.084 328 V CA 0.093 62.315 62.300 -0.131 0.000 0.963 328 V CB 1.166 32.881 31.823 -0.180 0.000 1.025 328 V HN 1.023 nan 8.190 nan 0.000 0.432 329 G N 0.686 109.118 108.800 -0.614 0.000 2.488 329 G HA2 0.764 4.734 3.960 0.017 0.000 0.301 329 G HA3 0.764 4.734 3.960 0.017 0.000 0.301 329 G C -1.222 173.367 174.900 -0.518 0.000 1.339 329 G CA 0.061 44.399 45.100 -1.270 0.000 0.803 329 G HN 2.028 nan 8.290 nan 0.000 0.482 330 V N -2.355 117.386 119.914 -0.289 0.000 3.130 330 V HA 0.924 5.054 4.120 0.017 0.000 0.310 330 V C 0.297 176.579 176.094 0.313 0.000 1.158 330 V CA -0.441 61.908 62.300 0.081 0.000 1.029 330 V CB 1.125 32.971 31.823 0.039 0.000 1.057 330 V HN 1.787 nan 8.190 nan 0.000 0.436 331 V N -0.434 119.683 119.914 0.338 0.000 3.109 331 V HA 0.573 4.703 4.120 0.017 0.000 0.317 331 V C 1.341 177.626 176.094 0.318 0.000 1.074 331 V CA -0.043 62.506 62.300 0.415 0.000 1.033 331 V CB 1.277 33.338 31.823 0.396 0.000 1.111 331 V HN 1.094 nan 8.190 nan 0.000 0.458 332 K N -0.515 120.069 120.400 0.306 0.000 2.288 332 K HA -0.009 4.321 4.320 0.017 0.000 0.201 332 K C 0.223 176.940 176.600 0.194 0.000 1.048 332 K CA 1.461 57.880 56.287 0.220 0.000 0.956 332 K CB 0.135 32.739 32.500 0.175 0.000 0.746 332 K HN 0.885 nan 8.250 nan 0.000 0.461 333 D N 1.086 121.613 120.400 0.211 0.000 2.861 333 D HA 0.026 4.676 4.640 0.017 0.000 0.357 333 D C 0.091 176.524 176.300 0.221 0.000 1.250 333 D CA -0.083 54.032 54.000 0.191 0.000 0.802 333 D CB 1.218 42.111 40.800 0.155 0.000 1.141 333 D HN 0.111 nan 8.370 nan 0.000 0.489 334 E N 0.412 120.753 120.200 0.235 0.000 2.130 334 E HA -0.136 4.224 4.350 0.017 0.000 0.196 334 E C 1.864 178.654 176.600 0.316 0.000 0.998 334 E CA 0.912 57.489 56.400 0.294 0.000 0.806 334 E CB 0.169 30.006 29.700 0.228 0.000 0.738 334 E HN 0.416 nan 8.360 nan 0.000 0.459 335 G N 0.525 109.465 108.800 0.235 0.000 2.887 335 G HA2 -0.096 3.874 3.960 0.017 0.000 0.211 335 G HA3 -0.096 3.874 3.960 0.017 0.000 0.211 335 G C 1.638 176.706 174.900 0.280 0.000 1.152 335 G CA 0.652 45.908 45.100 0.260 0.000 0.769 335 G HN 0.328 nan 8.290 nan 0.000 0.541 336 S N 1.489 117.317 115.700 0.213 0.000 2.359 336 S HA -0.031 4.449 4.470 0.017 0.000 0.224 336 S C 2.521 177.168 174.600 0.078 0.000 1.035 336 S CA 1.482 59.797 58.200 0.192 0.000 1.018 336 S CB -0.538 62.742 63.200 0.133 0.000 0.876 336 S HN 0.484 nan 8.310 nan 0.000 0.448 337 A N 0.082 122.847 122.820 -0.091 0.000 2.168 337 A HA 0.297 4.627 4.320 0.017 0.000 0.215 337 A C 1.649 179.130 177.584 -0.172 0.000 1.152 337 A CA 0.573 52.398 52.037 -0.353 0.000 0.716 337 A CB -0.882 17.695 19.000 -0.706 0.000 0.794 337 A HN 0.560 nan 8.150 nan 0.000 0.465 338 F N -0.477 119.473 119.950 -0.000 0.000 2.710 338 F HA 0.139 4.676 4.527 0.016 0.000 0.298 338 F C 1.744 177.616 175.800 0.120 0.000 1.137 338 F CA 0.450 58.486 58.000 0.061 0.000 1.444 338 F CB -0.069 38.911 39.000 -0.032 0.000 1.111 338 F HN 0.116 nan 8.300 nan 0.000 0.580 339 L N -0.323 121.016 121.223 0.192 0.000 2.217 339 L HA -0.111 4.239 4.340 0.017 0.000 0.211 339 L C 2.274 179.209 176.870 0.107 0.000 1.107 339 L CA 0.725 55.542 54.840 -0.040 0.000 0.783 339 L CB -0.618 41.119 42.059 -0.538 0.000 0.919 339 L HN 0.116 nan 8.230 nan 0.000 0.442 340 V N -4.983 115.064 119.914 0.222 0.000 3.380 340 V HA -0.143 3.987 4.120 0.017 0.000 0.268 340 V C 1.050 177.105 176.094 -0.064 0.000 1.168 340 V CA 0.657 63.064 62.300 0.177 0.000 1.156 340 V CB -1.190 30.786 31.823 0.255 0.000 0.785 340 V HN 0.291 nan 8.190 nan 0.000 0.487 341 Y N 1.870 122.259 120.300 0.149 0.000 2.801 341 Y HA 0.672 5.232 4.550 0.016 0.000 0.340 341 Y C 1.581 177.555 175.900 0.124 0.000 1.088 341 Y CA 0.313 58.483 58.100 0.117 0.000 1.444 341 Y CB 0.492 39.016 38.460 0.108 0.000 1.251 341 Y HN 0.385 nan 8.280 nan 0.000 0.522 342 G N -1.451 107.462 108.800 0.188 0.000 3.259 342 G HA2 -0.161 3.810 3.960 0.017 0.000 0.217 342 G HA3 -0.161 3.810 3.960 0.017 0.000 0.217 342 G C -0.537 174.448 174.900 0.141 0.000 0.993 342 G CA -0.512 44.683 45.100 0.158 0.000 0.836 342 G HN -0.015 nan 8.290 nan 0.000 0.514 343 V N 3.449 123.458 119.914 0.159 0.000 2.405 343 V HA 0.376 4.506 4.120 0.017 0.000 0.264 343 V C -1.734 174.546 176.094 0.310 0.000 1.048 343 V CA -1.240 61.176 62.300 0.194 0.000 0.966 343 V CB 0.912 32.797 31.823 0.104 0.000 1.015 343 V HN 0.117 nan 8.190 nan 0.000 0.477 344 P HA 0.248 nan 4.420 nan 0.000 0.266 344 P C 1.025 178.431 177.300 0.176 0.000 1.195 344 P CA 1.221 64.421 63.100 0.167 0.000 0.768 344 P CB 0.671 32.431 31.700 0.100 0.000 0.838 345 G N 0.831 109.669 108.800 0.063 0.000 2.213 345 G HA2 -0.214 3.756 3.960 0.017 0.000 0.236 345 G HA3 -0.214 3.756 3.960 0.017 0.000 0.236 345 G C -0.201 174.510 174.900 -0.316 0.000 0.991 345 G CA -0.573 44.438 45.100 -0.149 0.000 0.629 345 G HN 0.395 nan 8.290 nan 0.000 0.517 346 F N 1.500 121.471 119.950 0.035 0.000 2.443 346 F HA 0.787 5.323 4.527 0.016 0.000 0.335 346 F C 0.548 176.444 175.800 0.160 0.000 1.104 346 F CA -0.232 57.810 58.000 0.070 0.000 1.013 346 F CB 2.304 41.383 39.000 0.132 0.000 1.136 346 F HN 0.168 nan 8.300 nan 0.000 0.470 347 S N 1.810 117.744 115.700 0.390 0.000 2.556 347 S HA 0.300 4.780 4.470 0.017 0.000 0.271 347 S C 0.407 175.315 174.600 0.513 0.000 1.135 347 S CA -0.860 57.576 58.200 0.394 0.000 0.858 347 S CB 1.442 64.781 63.200 0.233 0.000 1.114 347 S HN 0.765 nan 8.310 nan 0.000 0.468 348 K N 1.429 122.049 120.400 0.366 0.000 2.283 348 K HA 0.032 4.362 4.320 0.017 0.000 0.202 348 K C 0.244 176.869 176.600 0.042 0.000 1.048 348 K CA 1.493 57.878 56.287 0.163 0.000 0.948 348 K CB -0.179 32.184 32.500 -0.227 0.000 0.742 348 K HN 0.465 nan 8.250 nan 0.000 0.458 349 D N 1.009 121.409 120.400 0.001 0.000 2.340 349 D HA -0.009 4.641 4.640 0.017 0.000 0.220 349 D C -0.250 176.081 176.300 0.052 0.000 1.039 349 D CA 0.414 54.391 54.000 -0.038 0.000 0.866 349 D CB -0.023 40.731 40.800 -0.077 0.000 0.913 349 D HN 0.513 nan 8.370 nan 0.000 0.523 350 N N -1.371 117.412 118.700 0.138 0.000 2.774 350 N HA 0.087 4.837 4.740 0.017 0.000 0.264 350 N C 0.162 175.764 175.510 0.153 0.000 1.415 350 N CA -0.619 52.495 53.050 0.106 0.000 0.815 350 N CB 0.879 39.382 38.487 0.027 0.000 1.514 350 N HN -0.357 nan 8.380 nan 0.000 0.523 351 E N -0.421 119.795 120.200 0.026 0.000 2.516 351 E HA -0.002 4.358 4.350 0.017 0.000 0.199 351 E C -0.495 175.789 176.600 -0.527 0.000 1.069 351 E CA 0.347 56.689 56.400 -0.098 0.000 0.876 351 E CB -0.293 29.390 29.700 -0.029 0.000 0.843 351 E HN 0.589 nan 8.360 nan 0.000 0.530 352 S N 0.323 115.756 115.700 -0.444 0.000 3.614 352 S HA -0.177 4.303 4.470 0.017 0.000 0.360 352 S C 0.171 174.368 174.600 -0.672 0.000 1.023 352 S CA 0.134 57.943 58.200 -0.653 0.000 1.114 352 S CB -1.523 61.117 63.200 -0.933 0.000 0.907 352 S HN 0.299 nan 8.310 nan 0.000 0.470 353 L N 1.799 122.772 121.223 -0.416 0.000 2.433 353 L HA 0.393 4.744 4.340 0.017 0.000 0.275 353 L C 0.765 177.449 176.870 -0.310 0.000 1.128 353 L CA -0.044 54.611 54.840 -0.308 0.000 0.875 353 L CB 0.011 41.957 42.059 -0.188 0.000 1.171 353 L HN 0.420 nan 8.230 nan 0.000 0.463 354 I N 0.201 120.588 120.570 -0.305 0.000 2.707 354 I HA 0.619 4.799 4.170 0.017 0.000 0.309 354 I C 0.589 176.640 176.117 -0.110 0.000 1.001 354 I CA -0.626 60.528 61.300 -0.243 0.000 1.129 354 I CB 1.851 39.683 38.000 -0.279 0.000 1.308 354 I HN 0.571 nan 8.210 nan 0.000 0.466 355 S N 2.818 118.482 115.700 -0.061 0.000 2.645 355 S HA 0.361 4.841 4.470 0.017 0.000 0.266 355 S C 0.943 175.570 174.600 0.046 0.000 1.258 355 S CA -0.508 57.683 58.200 -0.016 0.000 0.990 355 S CB 1.541 64.736 63.200 -0.009 0.000 0.967 355 S HN 0.857 nan 8.310 nan 0.000 0.556 356 R N 0.499 121.030 120.500 0.050 0.000 2.081 356 R HA -0.084 4.266 4.340 0.017 0.000 0.235 356 R C 2.405 178.798 176.300 0.155 0.000 1.131 356 R CA 1.566 57.738 56.100 0.119 0.000 0.960 356 R CB -1.099 29.242 30.300 0.068 0.000 0.856 356 R HN 0.847 nan 8.270 nan 0.000 0.436 357 A N 0.529 123.401 122.820 0.087 0.000 1.883 357 A HA -0.245 4.085 4.320 0.017 0.000 0.217 357 A C 2.042 179.672 177.584 0.076 0.000 1.186 357 A CA 1.637 53.715 52.037 0.067 0.000 0.624 357 A CB -0.599 18.425 19.000 0.040 0.000 0.822 357 A HN 0.491 nan 8.150 nan 0.000 0.444 358 Q N -1.905 117.945 119.800 0.084 0.000 2.181 358 Q HA -0.179 4.172 4.340 0.017 0.000 0.205 358 Q C 1.828 177.935 176.000 0.178 0.000 0.980 358 Q CA 1.672 57.535 55.803 0.101 0.000 0.862 358 Q CB -0.300 28.473 28.738 0.057 0.000 0.905 358 Q HN 0.822 nan 8.270 nan 0.000 0.429 359 F N 0.764 120.747 119.950 0.055 0.000 2.098 359 F HA -0.165 4.376 4.527 0.023 0.000 0.294 359 F C 1.680 177.520 175.800 0.067 0.000 1.107 359 F CA 0.996 59.042 58.000 0.076 0.000 1.234 359 F CB 0.031 39.062 39.000 0.052 0.000 1.002 359 F HN -0.059 nan 8.300 nan 0.000 0.472 360 L N 0.589 121.690 121.223 -0.203 0.000 2.012 360 L HA -0.188 4.162 4.340 0.017 0.000 0.210 360 L C 2.887 179.658 176.870 -0.166 0.000 1.073 360 L CA 1.229 55.915 54.840 -0.257 0.000 0.748 360 L CB -1.822 40.189 42.059 -0.079 0.000 0.891 360 L HN 0.243 nan 8.230 nan 0.000 0.431 361 A N 1.090 123.873 122.820 -0.061 0.000 1.892 361 A HA -0.170 4.161 4.320 0.017 0.000 0.218 361 A C 2.459 180.029 177.584 -0.025 0.000 1.188 361 A CA 2.041 54.064 52.037 -0.023 0.000 0.631 361 A CB -1.523 17.488 19.000 0.018 0.000 0.822 361 A HN 0.467 nan 8.150 nan 0.000 0.447 362 G N -0.926 107.874 108.800 0.001 0.000 2.462 362 G HA2 -0.086 3.885 3.960 0.017 0.000 0.220 362 G HA3 -0.086 3.885 3.960 0.017 0.000 0.220 362 G C 1.443 176.308 174.900 -0.058 0.000 1.121 362 G CA 1.199 46.317 45.100 0.029 0.000 0.758 362 G HN 0.349 nan 8.290 nan 0.000 0.559 363 V N 0.960 120.768 119.914 -0.176 0.000 2.453 363 V HA -0.088 4.042 4.120 0.017 0.000 0.247 363 V C 2.828 178.864 176.094 -0.098 0.000 1.048 363 V CA 1.391 63.580 62.300 -0.186 0.000 1.049 363 V CB -0.321 31.300 31.823 -0.336 0.000 0.672 363 V HN 0.241 nan 8.190 nan 0.000 0.457 364 R N -0.109 120.341 120.500 -0.083 0.000 2.241 364 R HA 0.060 4.410 4.340 0.017 0.000 0.224 364 R C 1.862 178.138 176.300 -0.039 0.000 1.101 364 R CA 1.125 57.194 56.100 -0.053 0.000 0.995 364 R CB -0.645 29.629 30.300 -0.043 0.000 0.870 364 R HN 0.480 nan 8.270 nan 0.000 0.463 365 I N -0.968 119.583 120.570 -0.032 0.000 3.035 365 I HA 0.027 4.207 4.170 0.017 0.000 0.271 365 I C 2.044 178.149 176.117 -0.019 0.000 1.190 365 I CA 0.800 62.090 61.300 -0.018 0.000 1.472 365 I CB -0.084 37.920 38.000 0.007 0.000 1.116 365 I HN 0.132 nan 8.210 nan 0.000 0.443 366 G N 0.481 109.266 108.800 -0.025 0.000 2.539 366 G HA2 0.049 4.019 3.960 0.017 0.000 0.215 366 G HA3 0.049 4.019 3.960 0.017 0.000 0.215 366 G C 0.760 175.654 174.900 -0.010 0.000 1.141 366 G CA 0.307 45.396 45.100 -0.019 0.000 0.806 366 G HN 0.178 nan 8.290 nan 0.000 0.533 367 V N 1.612 121.502 119.914 -0.040 0.000 2.271 367 V HA 0.234 4.364 4.120 0.017 0.000 0.259 367 V C -1.795 174.276 176.094 -0.039 0.000 1.030 367 V CA -1.139 61.116 62.300 -0.076 0.000 0.957 367 V CB 1.475 33.243 31.823 -0.091 0.000 1.186 367 V HN 0.001 nan 8.190 nan 0.000 0.471 368 P HA -0.160 nan 4.420 nan 0.000 0.222 368 P C 1.502 178.781 177.300 -0.034 0.000 1.147 368 P CA 1.028 64.107 63.100 -0.036 0.000 0.790 368 P CB 0.264 31.933 31.700 -0.050 0.000 0.780 369 Q N -0.926 118.861 119.800 -0.021 0.000 2.360 369 Q HA 0.186 4.536 4.340 0.017 0.000 0.202 369 Q C 0.570 176.551 176.000 -0.031 0.000 0.915 369 Q CA 0.060 55.848 55.803 -0.024 0.000 0.943 369 Q CB -0.318 28.416 28.738 -0.008 0.000 1.064 369 Q HN 0.015 nan 8.270 nan 0.000 0.511 370 A N 2.148 124.948 122.820 -0.033 0.000 2.425 370 A HA 0.396 4.726 4.320 0.017 0.000 0.249 370 A C 0.538 178.100 177.584 -0.036 0.000 1.084 370 A CA 0.121 52.135 52.037 -0.037 0.000 0.781 370 A CB 0.391 19.372 19.000 -0.032 0.000 1.019 370 A HN 0.524 nan 8.150 nan 0.000 0.490 371 S N 1.265 116.942 115.700 -0.039 0.000 2.641 371 S HA 0.152 4.633 4.470 0.017 0.000 0.261 371 S C 0.400 174.987 174.600 -0.022 0.000 1.257 371 S CA 0.161 58.341 58.200 -0.033 0.000 0.983 371 S CB 0.363 63.540 63.200 -0.039 0.000 0.990 371 S HN 0.613 nan 8.310 nan 0.000 0.572 372 D N -0.038 120.353 120.400 -0.015 0.000 2.144 372 D HA -0.061 4.589 4.640 0.017 0.000 0.199 372 D C 1.706 178.010 176.300 0.007 0.000 0.984 372 D CA 0.730 54.727 54.000 -0.005 0.000 0.834 372 D CB -0.424 40.376 40.800 -0.001 0.000 0.955 372 D HN 0.358 nan 8.370 nan 0.000 0.465 373 L N 0.985 122.211 121.223 0.005 0.000 2.044 373 L HA 0.031 4.381 4.340 0.017 0.000 0.205 373 L C 2.157 179.048 176.870 0.036 0.000 1.075 373 L CA 1.596 56.449 54.840 0.022 0.000 0.747 373 L CB -1.104 40.960 42.059 0.009 0.000 0.903 373 L HN -0.029 nan 8.230 nan 0.000 0.435 374 A N -0.568 122.255 122.820 0.003 0.000 1.940 374 A HA -0.139 4.191 4.320 0.017 0.000 0.219 374 A C 2.417 180.029 177.584 0.046 0.000 1.176 374 A CA 1.970 54.011 52.037 0.006 0.000 0.631 374 A CB -1.071 17.894 19.000 -0.058 0.000 0.814 374 A HN 0.556 nan 8.150 nan 0.000 0.446 375 A N -0.435 122.397 122.820 0.020 0.000 1.898 375 A HA -0.082 4.249 4.320 0.017 0.000 0.216 375 A C 1.963 179.565 177.584 0.031 0.000 1.181 375 A CA 1.975 54.018 52.037 0.010 0.000 0.620 375 A CB -0.456 18.532 19.000 -0.019 0.000 0.819 375 A HN 0.545 nan 8.150 nan 0.000 0.442 376 E N 0.462 120.691 120.200 0.049 0.000 2.077 376 E HA -0.101 4.259 4.350 0.017 0.000 0.193 376 E C 1.995 178.666 176.600 0.119 0.000 0.989 376 E CA 1.671 58.118 56.400 0.079 0.000 0.800 376 E CB -0.474 29.270 29.700 0.074 0.000 0.746 376 E HN 0.461 nan 8.360 nan 0.000 0.452 377 A N 0.054 122.955 122.820 0.135 0.000 1.908 377 A HA -0.180 4.150 4.320 0.017 0.000 0.218 377 A C 2.511 180.149 177.584 0.090 0.000 1.181 377 A CA 1.812 53.955 52.037 0.178 0.000 0.627 377 A CB -0.841 18.358 19.000 0.331 0.000 0.818 377 A HN 0.221 nan 8.150 nan 0.000 0.445 378 V N -0.613 119.365 119.914 0.107 0.000 2.358 378 V HA -0.207 3.923 4.120 0.017 0.000 0.246 378 V C 2.569 178.805 176.094 0.237 0.000 1.047 378 V CA 1.877 64.227 62.300 0.083 0.000 1.035 378 V CB -0.661 31.223 31.823 0.100 0.000 0.658 378 V HN 0.373 nan 8.190 nan 0.000 0.452 379 V N -0.155 119.865 119.914 0.178 0.000 2.343 379 V HA -0.250 3.880 4.120 0.017 0.000 0.247 379 V C 2.276 178.601 176.094 0.384 0.000 1.051 379 V CA 1.925 64.395 62.300 0.283 0.000 1.036 379 V CB -0.477 31.431 31.823 0.141 0.000 0.654 379 V HN 0.445 nan 8.190 nan 0.000 0.451 380 L N -0.631 120.787 121.223 0.326 0.000 2.093 380 L HA -0.171 4.179 4.340 0.017 0.000 0.208 380 L C 2.519 179.628 176.870 0.397 0.000 1.085 380 L CA 1.912 57.018 54.840 0.443 0.000 0.755 380 L CB -0.716 41.529 42.059 0.310 0.000 0.904 380 L HN 0.466 nan 8.230 nan 0.000 0.435 381 H N -1.275 117.838 119.070 0.072 0.000 2.502 381 H HA -0.127 4.441 4.556 0.020 0.000 0.283 381 H C 1.512 176.753 175.328 -0.145 0.000 1.015 381 H CA 1.440 57.405 56.048 -0.138 0.000 1.298 381 H CB 0.215 29.637 29.762 -0.567 0.000 1.411 381 H HN 0.258 nan 8.280 nan 0.000 0.556 382 Y N -0.507 119.840 120.300 0.078 0.000 2.442 382 Y HA 0.198 4.758 4.550 0.016 0.000 0.250 382 Y C 0.725 176.582 175.900 -0.071 0.000 1.113 382 Y CA 0.037 58.176 58.100 0.065 0.000 1.273 382 Y CB 0.531 39.164 38.460 0.289 0.000 1.138 382 Y HN 0.013 nan 8.280 nan 0.000 0.522 383 T N 1.241 115.782 114.554 -0.022 0.000 2.930 383 T HA -0.017 4.343 4.350 0.017 0.000 0.306 383 T C -0.387 173.997 174.700 -0.528 0.000 1.045 383 T CA -0.157 61.679 62.100 -0.441 0.000 1.134 383 T CB 0.404 68.749 68.868 -0.872 0.000 0.961 383 T HN 0.063 nan 8.240 nan 0.000 0.545 384 D N 1.482 121.616 120.400 -0.443 0.000 2.380 384 D HA 0.158 4.808 4.640 0.017 0.000 0.230 384 D C -0.020 176.069 176.300 -0.350 0.000 1.154 384 D CA -0.721 53.122 54.000 -0.261 0.000 0.859 384 D CB 0.336 41.112 40.800 -0.039 0.000 1.045 384 D HN 0.582 nan 8.370 nan 0.000 0.495 385 W N 3.050 124.339 121.300 -0.017 0.000 2.825 385 W HA 0.092 4.759 4.660 0.012 0.000 0.243 385 W C 1.717 178.211 176.519 -0.042 0.000 1.293 385 W CA -0.187 57.142 57.345 -0.028 0.000 1.403 385 W CB -0.038 29.404 29.460 -0.029 0.000 1.134 385 W HN 0.433 nan 8.180 nan 0.000 0.666 386 L N -1.444 119.835 121.223 0.094 0.000 2.162 386 L HA -0.037 4.313 4.340 0.017 0.000 0.205 386 L C 0.274 177.081 176.870 -0.104 0.000 1.086 386 L CA 1.043 55.902 54.840 0.032 0.000 0.778 386 L CB -0.308 41.799 42.059 0.081 0.000 0.928 386 L HN -0.083 nan 8.230 nan 0.000 0.446 387 H N -0.801 118.186 119.070 -0.138 0.000 2.448 387 H HA 0.167 4.725 4.556 0.003 0.000 0.237 387 H C -1.760 173.423 175.328 -0.242 0.000 1.391 387 H CA -1.449 54.485 56.048 -0.190 0.000 1.477 387 H CB 0.722 30.321 29.762 -0.272 0.000 1.520 387 H HN -0.090 nan 8.280 nan 0.000 0.502 388 P HA -0.131 nan 4.420 nan 0.000 0.223 388 P C 0.638 177.813 177.300 -0.209 0.000 1.151 388 P CA 1.081 63.998 63.100 -0.306 0.000 0.787 388 P CB 0.741 32.254 31.700 -0.311 0.000 0.788 389 E N -0.157 119.971 120.200 -0.120 0.000 2.481 389 E HA 0.017 4.378 4.350 0.017 0.000 0.198 389 E C 0.069 176.630 176.600 -0.065 0.000 1.027 389 E CA -0.024 56.330 56.400 -0.077 0.000 0.900 389 E CB -0.207 29.465 29.700 -0.045 0.000 0.993 389 E HN 0.314 nan 8.360 nan 0.000 0.482 390 D N 2.258 122.614 120.400 -0.072 0.000 2.382 390 D HA -0.005 4.645 4.640 0.017 0.000 0.259 390 D C -1.673 174.581 176.300 -0.076 0.000 1.224 390 D CA -1.537 52.411 54.000 -0.086 0.000 0.894 390 D CB 1.301 41.974 40.800 -0.212 0.000 1.127 390 D HN -0.170 nan 8.370 nan 0.000 0.487 391 P HA -0.066 nan 4.420 nan 0.000 0.223 391 P C 0.980 178.237 177.300 -0.072 0.000 1.151 391 P CA 0.739 63.790 63.100 -0.082 0.000 0.787 391 P CB 0.291 31.936 31.700 -0.092 0.000 0.788 392 T N -1.748 112.797 114.554 -0.016 0.000 2.896 392 T HA -0.096 4.264 4.350 0.017 0.000 0.263 392 T C 1.460 176.195 174.700 0.058 0.000 1.050 392 T CA 1.322 63.432 62.100 0.017 0.000 1.140 392 T CB -0.762 68.140 68.868 0.056 0.000 0.877 392 T HN 0.201 nan 8.240 nan 0.000 0.457 393 H N 0.942 119.953 119.070 -0.098 0.000 2.326 393 H HA 0.176 4.740 4.556 0.014 0.000 0.301 393 H C 2.138 177.370 175.328 -0.160 0.000 1.081 393 H CA 0.840 56.825 56.048 -0.105 0.000 1.334 393 H CB -0.621 29.067 29.762 -0.124 0.000 1.385 393 H HN 0.190 nan 8.280 nan 0.000 0.504 394 L N 0.034 121.199 121.223 -0.097 0.000 2.042 394 L HA -0.217 4.133 4.340 0.017 0.000 0.210 394 L C 2.798 179.615 176.870 -0.088 0.000 1.076 394 L CA 1.380 56.053 54.840 -0.277 0.000 0.749 394 L CB -0.312 41.611 42.059 -0.226 0.000 0.893 394 L HN 0.232 nan 8.230 nan 0.000 0.432 395 R N 0.397 120.890 120.500 -0.012 0.000 2.061 395 R HA -0.172 4.178 4.340 0.017 0.000 0.230 395 R C 1.766 178.168 176.300 0.169 0.000 1.140 395 R CA 2.062 58.225 56.100 0.106 0.000 0.940 395 R CB -0.458 29.778 30.300 -0.106 0.000 0.839 395 R HN 0.345 nan 8.270 nan 0.000 0.429 396 D N 0.445 120.897 120.400 0.086 0.000 2.182 396 D HA -0.131 4.519 4.640 0.017 0.000 0.201 396 D C 1.663 178.037 176.300 0.122 0.000 0.986 396 D CA 1.389 55.455 54.000 0.110 0.000 0.847 396 D CB -0.106 40.706 40.800 0.020 0.000 0.942 396 D HN 0.394 nan 8.370 nan 0.000 0.467 397 A N 0.684 123.550 122.820 0.077 0.000 1.897 397 A HA -0.114 4.216 4.320 0.017 0.000 0.215 397 A C 2.139 179.842 177.584 0.198 0.000 1.181 397 A CA 1.244 53.365 52.037 0.140 0.000 0.620 397 A CB -0.433 18.556 19.000 -0.020 0.000 0.821 397 A HN 0.124 nan 8.150 nan 0.000 0.443 398 M N 0.269 120.028 119.600 0.265 0.000 2.108 398 M HA -0.128 4.362 4.480 0.017 0.000 0.261 398 M C 2.279 178.647 176.300 0.113 0.000 1.066 398 M CA 2.217 57.696 55.300 0.299 0.000 1.107 398 M CB -0.569 32.264 32.600 0.388 0.000 1.356 398 M HN 0.424 nan 8.290 nan 0.000 0.406 399 S N -0.471 115.309 115.700 0.134 0.000 2.368 399 S HA -0.067 4.413 4.470 0.017 0.000 0.225 399 S C 2.014 176.690 174.600 0.127 0.000 1.030 399 S CA 1.472 59.755 58.200 0.139 0.000 0.999 399 S CB -0.538 62.804 63.200 0.236 0.000 0.844 399 S HN 0.624 nan 8.310 nan 0.000 0.459 400 A N 0.683 123.595 122.820 0.152 0.000 1.968 400 A HA 0.113 4.443 4.320 0.017 0.000 0.217 400 A C 2.316 179.959 177.584 0.099 0.000 1.169 400 A CA 1.347 53.498 52.037 0.191 0.000 0.638 400 A CB -0.877 18.323 19.000 0.333 0.000 0.812 400 A HN 0.446 nan 8.150 nan 0.000 0.446 401 V N -0.304 119.538 119.914 -0.120 0.000 2.287 401 V HA -0.256 3.874 4.120 0.017 0.000 0.248 401 V C 2.576 178.588 176.094 -0.136 0.000 1.053 401 V CA 2.189 64.339 62.300 -0.250 0.000 1.027 401 V CB -0.751 30.925 31.823 -0.245 0.000 0.646 401 V HN 0.381 nan 8.190 nan 0.000 0.447 402 V N 0.596 120.459 119.914 -0.085 0.000 2.307 402 V HA -0.137 3.993 4.120 0.017 0.000 0.245 402 V C 2.629 178.600 176.094 -0.205 0.000 1.045 402 V CA 2.121 64.347 62.300 -0.123 0.000 1.024 402 V CB -1.383 30.417 31.823 -0.039 0.000 0.651 402 V HN 0.605 nan 8.190 nan 0.000 0.449 403 G N -0.113 108.640 108.800 -0.079 0.000 2.459 403 G HA2 -0.277 3.693 3.960 0.017 0.000 0.217 403 G HA3 -0.277 3.693 3.960 0.017 0.000 0.217 403 G C 1.240 176.051 174.900 -0.148 0.000 1.183 403 G CA 1.198 46.262 45.100 -0.061 0.000 0.776 403 G HN 0.503 nan 8.290 nan 0.000 0.552 404 D N -0.284 120.045 120.400 -0.119 0.000 2.097 404 D HA -0.094 4.556 4.640 0.017 0.000 0.195 404 D C 2.114 178.081 176.300 -0.556 0.000 0.989 404 D CA 1.372 55.261 54.000 -0.183 0.000 0.827 404 D CB -0.523 40.326 40.800 0.081 0.000 0.966 404 D HN 0.433 nan 8.370 nan 0.000 0.456 405 H N 0.759 119.227 119.070 -1.002 0.000 2.389 405 H HA 0.025 4.591 4.556 0.017 0.000 0.299 405 H C 1.464 176.384 175.328 -0.680 0.000 1.081 405 H CA 1.601 56.888 56.048 -1.268 0.000 1.345 405 H CB 0.088 29.013 29.762 -1.394 0.000 1.393 405 H HN 0.004 nan 8.280 nan 0.000 0.520 406 N N -0.844 117.403 118.700 -0.755 0.000 2.402 406 N HA 0.003 4.753 4.740 0.017 0.000 0.174 406 N C 1.306 176.576 175.510 -0.400 0.000 1.027 406 N CA 1.128 53.683 53.050 -0.826 0.000 0.891 406 N CB 0.967 38.384 38.487 -1.783 0.000 1.016 406 N HN 0.275 nan 8.380 nan 0.000 0.439 407 V N -0.257 119.481 119.914 -0.295 0.000 3.134 407 V HA 0.060 4.190 4.120 0.017 0.000 0.222 407 V C 2.241 178.294 176.094 -0.067 0.000 1.247 407 V CA 0.223 62.483 62.300 -0.068 0.000 1.281 407 V CB -0.258 31.599 31.823 0.057 0.000 1.169 407 V HN -0.166 nan 8.190 nan 0.000 0.512 408 V N 0.206 120.079 119.914 -0.069 0.000 2.255 408 V HA -0.305 3.825 4.120 0.017 0.000 0.247 408 V C 2.533 178.591 176.094 -0.060 0.000 1.051 408 V CA 2.617 64.889 62.300 -0.047 0.000 1.018 408 V CB -0.955 30.866 31.823 -0.002 0.000 0.641 408 V HN 0.660 nan 8.190 nan 0.000 0.445 409 c N -0.307 118.252 118.600 -0.067 0.000 2.446 409 c HA -0.002 4.578 4.570 0.017 0.000 0.277 409 c C 0.615 174.676 174.090 -0.050 0.000 1.275 409 c CA 0.928 57.248 56.329 -0.015 0.000 1.727 409 c CB -1.875 40.668 42.510 0.054 0.000 2.010 409 c HN 0.449 nan 8.230 nan 0.000 0.486 410 P HA -0.077 nan 4.420 nan 0.000 0.215 410 P C 1.795 179.035 177.300 -0.101 0.000 1.153 410 P CA 1.363 64.394 63.100 -0.115 0.000 0.853 410 P CB -0.161 31.439 31.700 -0.167 0.000 0.788 411 V N 0.206 120.061 119.914 -0.099 0.000 2.287 411 V HA -0.288 3.842 4.120 0.017 0.000 0.248 411 V C 2.452 178.446 176.094 -0.167 0.000 1.053 411 V CA 2.368 64.592 62.300 -0.128 0.000 1.027 411 V CB -1.719 30.025 31.823 -0.131 0.000 0.646 411 V HN 0.108 nan 8.190 nan 0.000 0.447 412 A N -0.362 122.378 122.820 -0.134 0.000 1.902 412 A HA -0.333 3.997 4.320 0.017 0.000 0.217 412 A C 2.208 179.758 177.584 -0.057 0.000 1.181 412 A CA 2.322 54.289 52.037 -0.117 0.000 0.623 412 A CB -0.609 18.379 19.000 -0.020 0.000 0.818 412 A HN 0.620 nan 8.150 nan 0.000 0.443 413 Q N -0.565 119.217 119.800 -0.030 0.000 2.045 413 Q HA -0.196 4.154 4.340 0.017 0.000 0.206 413 Q C 1.886 177.864 176.000 -0.036 0.000 0.991 413 Q CA 2.133 57.930 55.803 -0.010 0.000 0.851 413 Q CB -0.485 28.245 28.738 -0.014 0.000 0.911 413 Q HN 0.518 nan 8.270 nan 0.000 0.418 414 L N 0.204 121.377 121.223 -0.084 0.000 2.017 414 L HA -0.039 4.311 4.340 0.017 0.000 0.208 414 L C 2.248 179.044 176.870 -0.123 0.000 1.073 414 L CA 2.206 56.982 54.840 -0.107 0.000 0.745 414 L CB -1.059 40.922 42.059 -0.130 0.000 0.894 414 L HN 0.334 nan 8.230 nan 0.000 0.432 415 A N -0.618 122.085 122.820 -0.195 0.000 1.892 415 A HA 0.077 4.407 4.320 0.017 0.000 0.218 415 A C 1.966 179.550 177.584 0.001 0.000 1.188 415 A CA 1.873 53.737 52.037 -0.287 0.000 0.631 415 A CB -1.575 16.931 19.000 -0.823 0.000 0.822 415 A HN 0.785 nan 8.150 nan 0.000 0.447 416 G N -1.825 107.035 108.800 0.100 0.000 2.652 416 G HA2 -0.239 3.731 3.960 0.017 0.000 0.318 416 G HA3 -0.239 3.731 3.960 0.017 0.000 0.318 416 G C 0.711 175.709 174.900 0.164 0.000 1.295 416 G CA 1.837 47.013 45.100 0.127 0.000 0.999 416 G HN 1.440 nan 8.290 nan 0.000 0.548 417 R N -3.596 116.969 120.500 0.110 0.000 1.174 417 R HA -0.122 4.228 4.340 0.017 0.000 0.006 417 R C 2.148 178.498 176.300 0.082 0.000 0.962 417 R CA 2.298 58.447 56.100 0.082 0.000 1.988 417 R CB -1.829 28.497 30.300 0.044 0.000 0.111 417 R HN 0.809 nan 8.270 nan 0.000 0.733 418 L N 1.035 122.247 121.223 -0.018 0.000 2.046 418 L HA -0.029 4.321 4.340 0.017 0.000 0.208 418 L C 2.493 179.397 176.870 0.056 0.000 1.077 418 L CA 1.983 56.773 54.840 -0.083 0.000 0.747 418 L CB -0.522 41.384 42.059 -0.254 0.000 0.896 418 L HN 0.540 nan 8.230 nan 0.000 0.432 419 A N 0.171 123.040 122.820 0.082 0.000 1.902 419 A HA -0.151 4.179 4.320 0.017 0.000 0.217 419 A C 2.512 180.148 177.584 0.087 0.000 1.181 419 A CA 1.756 53.852 52.037 0.100 0.000 0.623 419 A CB -0.683 18.415 19.000 0.162 0.000 0.818 419 A HN 0.403 nan 8.150 nan 0.000 0.443 420 A N -1.225 121.652 122.820 0.096 0.000 2.015 420 A HA -0.074 4.256 4.320 0.017 0.000 0.219 420 A C 1.795 179.433 177.584 0.091 0.000 1.163 420 A CA 1.411 53.496 52.037 0.080 0.000 0.646 420 A CB -0.266 18.780 19.000 0.076 0.000 0.806 420 A HN 0.598 nan 8.150 nan 0.000 0.448 421 Q N -1.472 118.414 119.800 0.143 0.000 2.211 421 Q HA 0.384 4.734 4.340 0.017 0.000 0.231 421 Q C 0.816 176.914 176.000 0.164 0.000 0.865 421 Q CA 0.389 56.289 55.803 0.162 0.000 0.997 421 Q CB 0.350 29.230 28.738 0.235 0.000 1.101 421 Q HN 0.769 nan 8.270 nan 0.000 0.468 422 G N -0.359 108.512 108.800 0.118 0.000 2.175 422 G HA2 -0.292 3.678 3.960 0.017 0.000 0.244 422 G HA3 -0.292 3.678 3.960 0.017 0.000 0.244 422 G C 0.287 175.248 174.900 0.101 0.000 0.982 422 G CA -0.100 45.054 45.100 0.091 0.000 0.641 422 G HN 0.552 nan 8.290 nan 0.000 0.527 423 A N 0.000 122.897 122.820 0.128 0.000 2.351 423 A HA 0.708 5.038 4.320 0.017 0.000 0.257 423 A C 0.742 178.352 177.584 0.043 0.000 1.087 423 A CA 0.495 52.586 52.037 0.090 0.000 0.798 423 A CB 0.347 19.373 19.000 0.044 0.000 1.033 423 A HN 0.864 nan 8.150 nan 0.000 0.488 424 R N 1.539 122.061 120.500 0.037 0.000 2.221 424 R HA 0.508 4.858 4.340 0.017 0.000 0.327 424 R C -1.567 174.713 176.300 -0.034 0.000 1.033 424 R CA -0.159 55.933 56.100 -0.013 0.000 0.887 424 R CB 0.436 30.757 30.300 0.036 0.000 1.057 424 R HN 0.448 nan 8.270 nan 0.000 0.455 425 V N 5.680 125.500 119.914 -0.156 0.000 2.540 425 V HA 0.419 4.549 4.120 0.017 0.000 0.302 425 V C -1.185 174.715 176.094 -0.324 0.000 1.035 425 V CA -0.814 61.415 62.300 -0.120 0.000 0.873 425 V CB 1.570 33.393 31.823 0.001 0.000 0.992 425 V HN 0.669 nan 8.190 nan 0.000 0.428 426 Y N 2.027 122.273 120.300 -0.090 0.000 2.409 426 Y HA 0.816 5.376 4.550 0.016 0.000 0.343 426 Y C 0.318 176.255 175.900 0.062 0.000 0.973 426 Y CA -0.545 57.481 58.100 -0.123 0.000 1.064 426 Y CB 2.285 40.315 38.460 -0.716 0.000 1.207 426 Y HN 0.791 nan 8.280 nan 0.000 0.452 427 A N 2.876 126.033 122.820 0.562 0.000 2.413 427 A HA 0.875 5.205 4.320 0.017 0.000 0.307 427 A C -1.892 176.106 177.584 0.689 0.000 1.087 427 A CA -0.713 51.569 52.037 0.409 0.000 0.750 427 A CB 1.141 20.202 19.000 0.102 0.000 1.296 427 A HN 0.753 nan 8.150 nan 0.000 0.423 428 Y N -0.691 119.864 120.300 0.425 0.000 2.615 428 Y HA 0.805 5.364 4.550 0.016 0.000 0.341 428 Y C -1.135 174.946 175.900 0.301 0.000 1.089 428 Y CA -1.570 56.735 58.100 0.341 0.000 1.049 428 Y CB 1.342 40.007 38.460 0.342 0.000 1.296 428 Y HN 0.711 nan 8.280 nan 0.000 0.470 429 I N 2.998 123.897 120.570 0.549 0.000 2.465 429 I HA 0.477 4.657 4.170 0.017 0.000 0.291 429 I C -1.850 174.617 176.117 0.583 0.000 1.014 429 I CA -1.062 60.526 61.300 0.481 0.000 1.093 429 I CB 1.238 39.438 38.000 0.334 0.000 1.267 429 I HN 0.749 nan 8.210 nan 0.000 0.431 430 F N 7.213 127.444 119.950 0.469 0.000 2.405 430 F HA 0.404 4.942 4.527 0.018 0.000 0.355 430 F C 0.569 176.517 175.800 0.246 0.000 1.121 430 F CA 0.100 58.313 58.000 0.355 0.000 1.112 430 F CB 0.945 40.170 39.000 0.376 0.000 1.126 430 F HN 0.555 nan 8.300 nan 0.000 0.481 431 E N 2.846 122.944 120.200 -0.170 0.000 2.641 431 E HA -0.020 4.340 4.350 0.017 0.000 0.224 431 E C -0.783 175.671 176.600 -0.243 0.000 0.951 431 E CA -0.185 56.160 56.400 -0.093 0.000 1.102 431 E CB 0.316 29.993 29.700 -0.038 0.000 1.091 431 E HN 0.539 nan 8.360 nan 0.000 0.507 432 H N 1.567 120.230 119.070 -0.679 0.000 2.620 432 H HA 0.218 4.784 4.556 0.017 0.000 0.313 432 H C -0.343 174.861 175.328 -0.207 0.000 1.075 432 H CA -0.276 55.424 56.048 -0.579 0.000 1.397 432 H CB 0.528 29.698 29.762 -0.987 0.000 1.446 432 H HN -0.141 nan 8.280 nan 0.000 0.493 433 R N 4.130 124.195 120.500 -0.725 0.000 2.221 433 R HA 0.505 4.855 4.340 0.017 0.000 0.327 433 R C -0.637 175.435 176.300 -0.380 0.000 1.033 433 R CA -0.704 55.196 56.100 -0.334 0.000 0.887 433 R CB 0.482 30.675 30.300 -0.178 0.000 1.057 433 R HN 0.806 nan 8.270 nan 0.000 0.455 434 A N 3.033 125.972 122.820 0.199 0.000 2.546 434 A HA 0.005 4.335 4.320 0.017 0.000 0.243 434 A C 1.316 179.036 177.584 0.228 0.000 1.063 434 A CA 0.506 52.856 52.037 0.521 0.000 0.757 434 A CB 0.301 19.699 19.000 0.662 0.000 0.991 434 A HN 1.021 nan 8.150 nan 0.000 0.503 435 S N 1.494 117.355 115.700 0.269 0.000 2.447 435 S HA -0.159 4.321 4.470 0.017 0.000 0.233 435 S C 1.427 176.030 174.600 0.006 0.000 1.006 435 S CA 1.602 59.869 58.200 0.111 0.000 0.957 435 S CB -0.805 62.478 63.200 0.137 0.000 0.773 435 S HN 1.257 nan 8.310 nan 0.000 0.507 436 T N -0.777 113.747 114.554 -0.050 0.000 3.129 436 T HA 0.304 4.664 4.350 0.017 0.000 0.251 436 T C 0.489 175.132 174.700 -0.095 0.000 1.117 436 T CA -0.495 61.504 62.100 -0.169 0.000 1.034 436 T CB -0.450 68.161 68.868 -0.428 0.000 0.968 436 T HN 0.221 nan 8.240 nan 0.000 0.526 437 L N 4.182 125.396 121.223 -0.016 0.000 2.490 437 L HA 0.274 4.624 4.340 0.017 0.000 0.274 437 L C 1.452 178.290 176.870 -0.053 0.000 1.201 437 L CA 0.693 55.517 54.840 -0.027 0.000 0.869 437 L CB 0.773 42.823 42.059 -0.014 0.000 1.123 437 L HN 0.469 nan 8.230 nan 0.000 0.484 438 T N -0.469 114.028 114.554 -0.095 0.000 3.022 438 T HA 0.097 4.457 4.350 0.017 0.000 0.250 438 T C 0.385 175.101 174.700 0.027 0.000 1.060 438 T CA -0.452 61.597 62.100 -0.084 0.000 1.013 438 T CB -0.277 68.429 68.868 -0.271 0.000 0.982 438 T HN 0.395 nan 8.240 nan 0.000 0.508 439 W N 3.714 125.046 121.300 0.054 0.000 2.150 439 W HA 0.409 5.079 4.660 0.016 0.000 0.341 439 W C -1.943 174.466 176.519 -0.183 0.000 1.276 439 W CA -2.058 55.259 57.345 -0.048 0.000 1.238 439 W CB 0.126 29.486 29.460 -0.167 0.000 1.128 439 W HN -0.007 nan 8.180 nan 0.000 0.581 440 P HA 0.018 nan 4.420 nan 0.000 0.273 440 P C 0.435 177.633 177.300 -0.170 0.000 1.250 440 P CA -0.015 63.015 63.100 -0.118 0.000 0.793 440 P CB 0.892 32.508 31.700 -0.141 0.000 1.011 441 L N -0.191 121.004 121.223 -0.047 0.000 2.083 441 L HA -0.108 4.242 4.340 0.017 0.000 0.209 441 L C 2.594 179.489 176.870 0.041 0.000 1.083 441 L CA 1.395 56.236 54.840 0.001 0.000 0.752 441 L CB -1.017 41.073 42.059 0.052 0.000 0.899 441 L HN 0.596 nan 8.230 nan 0.000 0.433 442 W N -0.889 120.453 121.300 0.070 0.000 2.468 442 W HA -0.166 4.504 4.660 0.016 0.000 0.262 442 W C 1.632 178.207 176.519 0.093 0.000 1.241 442 W CA 0.531 57.922 57.345 0.077 0.000 1.232 442 W CB -0.747 28.765 29.460 0.087 0.000 1.124 442 W HN 0.198 nan 8.180 nan 0.000 0.597 443 M N 1.351 120.677 119.600 -0.458 0.000 2.619 443 M HA 0.114 4.604 4.480 0.017 0.000 0.251 443 M C 1.889 178.124 176.300 -0.108 0.000 1.106 443 M CA 1.291 56.312 55.300 -0.464 0.000 1.086 443 M CB -0.621 31.540 32.600 -0.731 0.000 1.465 443 M HN 0.204 nan 8.290 nan 0.000 0.506 444 G N 0.886 109.670 108.800 -0.028 0.000 2.629 444 G HA2 -0.305 3.665 3.960 0.017 0.000 0.313 444 G HA3 -0.305 3.665 3.960 0.017 0.000 0.313 444 G C -0.024 174.886 174.900 0.016 0.000 1.217 444 G CA 0.086 45.199 45.100 0.022 0.000 0.994 444 G HN 0.277 nan 8.290 nan 0.000 0.549 445 V N 3.544 123.507 119.914 0.082 0.000 2.275 445 V HA 0.488 4.619 4.120 0.017 0.000 0.272 445 V C -1.947 174.270 176.094 0.205 0.000 1.028 445 V CA -0.888 61.509 62.300 0.162 0.000 0.810 445 V CB 1.375 33.341 31.823 0.238 0.000 1.043 445 V HN 0.523 nan 8.190 nan 0.000 0.453 446 P HA 0.200 nan 4.420 nan 0.000 0.276 446 P C -0.239 177.281 177.300 0.367 0.000 1.244 446 P CA -0.554 62.649 63.100 0.171 0.000 0.801 446 P CB 0.370 32.014 31.700 -0.092 0.000 1.006 447 H N 0.860 120.041 119.070 0.185 0.000 3.231 447 H HA 0.192 4.758 4.556 0.016 0.000 0.280 447 H C 1.517 176.870 175.328 0.040 0.000 0.901 447 H CA 2.428 58.566 56.048 0.151 0.000 1.414 447 H CB -0.876 28.994 29.762 0.179 0.000 1.433 447 H HN 0.751 nan 8.280 nan 0.000 0.549 448 G N 3.522 112.156 108.800 -0.276 0.000 2.218 448 G HA2 -0.289 3.681 3.960 0.017 0.000 0.216 448 G HA3 -0.289 3.681 3.960 0.017 0.000 0.216 448 G C 0.548 175.321 174.900 -0.210 0.000 0.994 448 G CA 0.214 45.092 45.100 -0.370 0.000 0.637 448 G HN 0.621 nan 8.290 nan 0.000 0.505 449 Y N 1.721 122.139 120.300 0.196 0.000 2.470 449 Y HA 0.245 4.806 4.550 0.017 0.000 0.284 449 Y C 2.314 178.378 175.900 0.273 0.000 1.188 449 Y CA 0.933 59.211 58.100 0.297 0.000 1.269 449 Y CB 0.440 39.102 38.460 0.336 0.000 1.094 449 Y HN 0.492 nan 8.280 nan 0.000 0.518 450 E N 0.098 120.295 120.200 -0.005 0.000 2.307 450 E HA -0.047 4.313 4.350 0.017 0.000 0.195 450 E C 1.628 178.135 176.600 -0.154 0.000 0.975 450 E CA 0.604 56.683 56.400 -0.535 0.000 0.878 450 E CB -0.457 28.492 29.700 -1.252 0.000 0.845 450 E HN 0.529 nan 8.360 nan 0.000 0.488 451 I N 3.034 123.589 120.570 -0.025 0.000 2.151 451 I HA -0.328 3.852 4.170 0.017 0.000 0.243 451 I C 2.750 178.861 176.117 -0.010 0.000 1.080 451 I CA 2.234 63.553 61.300 0.031 0.000 1.339 451 I CB -0.620 37.462 38.000 0.137 0.000 1.039 451 I HN 0.215 nan 8.210 nan 0.000 0.409 452 E N 1.249 121.391 120.200 -0.096 0.000 2.171 452 E HA -0.257 4.103 4.350 0.017 0.000 0.197 452 E C 2.070 178.424 176.600 -0.410 0.000 0.997 452 E CA 1.653 57.888 56.400 -0.274 0.000 0.810 452 E CB -0.615 28.891 29.700 -0.323 0.000 0.738 452 E HN 0.466 nan 8.360 nan 0.000 0.467 453 F N 1.376 121.232 119.950 -0.157 0.000 2.163 453 F HA -0.047 4.491 4.527 0.018 0.000 0.297 453 F C 2.436 178.021 175.800 -0.358 0.000 1.094 453 F CA 0.644 58.501 58.000 -0.238 0.000 1.290 453 F CB -0.172 38.794 39.000 -0.057 0.000 1.017 453 F HN -0.032 nan 8.300 nan 0.000 0.483 454 I N -0.864 119.554 120.570 -0.253 0.000 2.226 454 I HA -0.288 3.892 4.170 0.017 0.000 0.245 454 I C 2.185 178.080 176.117 -0.371 0.000 1.100 454 I CA 1.723 62.723 61.300 -0.500 0.000 1.374 454 I CB -1.457 36.114 38.000 -0.715 0.000 1.057 454 I HN 0.085 nan 8.210 nan 0.000 0.413 455 F N 1.082 120.857 119.950 -0.292 0.000 2.604 455 F HA 0.137 4.673 4.527 0.016 0.000 0.298 455 F C 1.878 177.567 175.800 -0.186 0.000 1.131 455 F CA 1.026 58.903 58.000 -0.206 0.000 1.457 455 F CB -0.308 38.552 39.000 -0.234 0.000 1.095 455 F HN 0.321 nan 8.300 nan 0.000 0.574 456 G N -0.208 108.463 108.800 -0.215 0.000 2.132 456 G HA2 -0.275 3.695 3.960 0.017 0.000 0.228 456 G HA3 -0.275 3.695 3.960 0.017 0.000 0.228 456 G C 0.925 175.269 174.900 -0.928 0.000 1.000 456 G CA 0.230 45.077 45.100 -0.421 0.000 0.693 456 G HN 0.285 nan 8.290 nan 0.000 0.515 457 L N 0.406 121.130 121.223 -0.831 0.000 2.079 457 L HA 0.054 4.404 4.340 0.017 0.000 0.210 457 L C 0.258 176.624 176.870 -0.841 0.000 1.081 457 L CA 2.664 56.950 54.840 -0.924 0.000 0.752 457 L CB -0.811 40.953 42.059 -0.492 0.000 0.896 457 L HN 0.190 nan 8.230 nan 0.000 0.433 458 P HA -0.125 nan 4.420 nan 0.000 0.234 458 P C 1.413 178.476 177.300 -0.395 0.000 1.162 458 P CA 0.912 63.499 63.100 -0.856 0.000 0.759 458 P CB 0.051 31.182 31.700 -0.949 0.000 0.813 459 L N -1.489 119.440 121.223 -0.491 0.000 2.554 459 L HA 0.045 4.395 4.340 0.017 0.000 0.226 459 L C 0.921 177.708 176.870 -0.139 0.000 1.137 459 L CA 0.862 55.536 54.840 -0.277 0.000 0.863 459 L CB -0.582 41.332 42.059 -0.243 0.000 0.985 459 L HN -0.111 nan 8.230 nan 0.000 0.451 460 D N 0.598 120.886 120.400 -0.187 0.000 2.352 460 D HA 0.076 4.726 4.640 0.017 0.000 0.245 460 D C -1.441 174.876 176.300 0.028 0.000 1.224 460 D CA -1.954 52.061 54.000 0.025 0.000 0.879 460 D CB 1.399 42.239 40.800 0.067 0.000 1.057 460 D HN 0.008 nan 8.370 nan 0.000 0.491 461 P HA -0.160 nan 4.420 nan 0.000 0.219 461 P C 1.190 178.505 177.300 0.024 0.000 1.146 461 P CA 0.789 63.907 63.100 0.030 0.000 0.808 461 P CB 0.113 31.828 31.700 0.025 0.000 0.779 462 S N -0.542 115.171 115.700 0.021 0.000 2.474 462 S HA -0.034 4.446 4.470 0.017 0.000 0.235 462 S C 1.843 176.432 174.600 -0.018 0.000 0.997 462 S CA 0.492 58.693 58.200 0.001 0.000 0.949 462 S CB -1.443 61.758 63.200 0.002 0.000 0.766 462 S HN 0.122 nan 8.310 nan 0.000 0.517 463 L N 1.711 122.932 121.223 -0.003 0.000 2.599 463 L HA 0.120 4.471 4.340 0.017 0.000 0.230 463 L C 0.039 176.830 176.870 -0.132 0.000 1.141 463 L CA 0.073 54.880 54.840 -0.055 0.000 0.877 463 L CB -1.191 40.884 42.059 0.027 0.000 1.009 463 L HN 0.404 nan 8.230 nan 0.000 0.447 464 N N -0.917 117.753 118.700 -0.049 0.000 2.725 464 N HA -0.302 4.448 4.740 0.017 0.000 0.280 464 N C -0.620 174.832 175.510 -0.097 0.000 1.017 464 N CA 0.696 53.721 53.050 -0.042 0.000 0.813 464 N CB -2.186 36.273 38.487 -0.046 0.000 0.931 464 N HN 0.262 nan 8.380 nan 0.000 0.570 465 Y N -0.200 120.083 120.300 -0.028 0.000 2.299 465 Y HA 0.243 4.803 4.550 0.016 0.000 0.335 465 Y C 1.980 177.898 175.900 0.030 0.000 1.287 465 Y CA -0.008 58.101 58.100 0.014 0.000 1.424 465 Y CB 0.487 38.946 38.460 -0.001 0.000 1.326 465 Y HN 0.425 nan 8.280 nan 0.000 0.567 466 T N -2.718 111.976 114.554 0.233 0.000 2.748 466 T HA 0.008 4.368 4.350 0.017 0.000 0.304 466 T C 1.117 175.892 174.700 0.125 0.000 1.041 466 T CA -0.161 62.024 62.100 0.142 0.000 1.033 466 T CB 0.640 69.583 68.868 0.126 0.000 0.995 466 T HN 0.720 nan 8.240 nan 0.000 0.536 467 T N 0.979 115.579 114.554 0.075 0.000 2.777 467 T HA -0.063 4.297 4.350 0.017 0.000 0.266 467 T C 1.879 176.608 174.700 0.048 0.000 1.040 467 T CA 1.663 63.794 62.100 0.053 0.000 1.141 467 T CB -0.434 68.454 68.868 0.033 0.000 0.868 467 T HN 0.746 nan 8.240 nan 0.000 0.444 468 E N 1.301 121.525 120.200 0.041 0.000 2.085 468 E HA -0.137 4.223 4.350 0.017 0.000 0.194 468 E C 2.219 178.836 176.600 0.029 0.000 0.994 468 E CA 1.202 57.609 56.400 0.011 0.000 0.801 468 E CB -0.175 29.511 29.700 -0.024 0.000 0.743 468 E HN 0.572 nan 8.360 nan 0.000 0.453 469 E N -0.037 120.213 120.200 0.083 0.000 2.204 469 E HA -0.178 4.182 4.350 0.017 0.000 0.195 469 E C 2.094 178.798 176.600 0.173 0.000 0.990 469 E CA 0.687 57.205 56.400 0.196 0.000 0.821 469 E CB -0.036 29.908 29.700 0.408 0.000 0.750 469 E HN 0.114 nan 8.360 nan 0.000 0.477 470 R N 0.873 121.418 120.500 0.074 0.000 2.090 470 R HA -0.100 4.250 4.340 0.017 0.000 0.228 470 R C 2.111 178.409 176.300 -0.003 0.000 1.110 470 R CA 0.864 56.958 56.100 -0.010 0.000 0.973 470 R CB -0.006 30.285 30.300 -0.015 0.000 0.869 470 R HN 0.100 nan 8.270 nan 0.000 0.440 471 I N 0.877 121.465 120.570 0.030 0.000 2.179 471 I HA -0.275 3.905 4.170 0.017 0.000 0.242 471 I C 2.318 178.468 176.117 0.056 0.000 1.088 471 I CA 1.228 62.544 61.300 0.027 0.000 1.357 471 I CB -1.176 36.843 38.000 0.031 0.000 1.051 471 I HN 0.176 nan 8.210 nan 0.000 0.409 472 F N 2.304 122.204 119.950 -0.084 0.000 2.126 472 F HA -0.175 4.363 4.527 0.018 0.000 0.299 472 F C 2.545 178.318 175.800 -0.045 0.000 1.096 472 F CA 1.417 59.356 58.000 -0.102 0.000 1.255 472 F CB -0.513 38.359 39.000 -0.213 0.000 0.997 472 F HN 0.031 nan 8.300 nan 0.000 0.479 473 A N -0.059 122.705 122.820 -0.093 0.000 1.940 473 A HA -0.246 4.084 4.320 0.017 0.000 0.219 473 A C 2.169 179.620 177.584 -0.222 0.000 1.176 473 A CA 1.890 53.813 52.037 -0.190 0.000 0.631 473 A CB -0.852 18.047 19.000 -0.168 0.000 0.814 473 A HN 0.620 nan 8.150 nan 0.000 0.446 474 Q N -1.050 118.656 119.800 -0.156 0.000 2.046 474 Q HA -0.148 4.202 4.340 0.017 0.000 0.200 474 Q C 2.417 178.304 176.000 -0.188 0.000 0.975 474 Q CA 1.430 57.150 55.803 -0.139 0.000 0.836 474 Q CB -0.176 28.509 28.738 -0.088 0.000 0.896 474 Q HN 0.624 nan 8.270 nan 0.000 0.428 475 R N 0.374 120.741 120.500 -0.222 0.000 2.103 475 R HA -0.159 4.191 4.340 0.017 0.000 0.242 475 R C 2.265 178.254 176.300 -0.519 0.000 1.142 475 R CA 1.287 57.162 56.100 -0.376 0.000 0.960 475 R CB -0.253 29.890 30.300 -0.263 0.000 0.858 475 R HN 0.240 nan 8.270 nan 0.000 0.439 476 L N -0.314 120.692 121.223 -0.363 0.000 2.056 476 L HA -0.172 4.178 4.340 0.017 0.000 0.207 476 L C 2.498 179.316 176.870 -0.086 0.000 1.078 476 L CA 1.245 55.969 54.840 -0.193 0.000 0.749 476 L CB -0.279 41.530 42.059 -0.418 0.000 0.901 476 L HN 0.257 nan 8.230 nan 0.000 0.433 477 M N -0.768 118.729 119.600 -0.172 0.000 2.213 477 M HA -0.197 4.293 4.480 0.017 0.000 0.263 477 M C 2.278 178.576 176.300 -0.003 0.000 1.062 477 M CA 1.584 56.822 55.300 -0.103 0.000 1.105 477 M CB -0.230 32.295 32.600 -0.126 0.000 1.385 477 M HN 0.100 nan 8.290 nan 0.000 0.417 478 K N -0.473 119.886 120.400 -0.069 0.000 2.057 478 K HA -0.139 4.191 4.320 0.017 0.000 0.206 478 K C 1.890 178.551 176.600 0.101 0.000 1.050 478 K CA 1.407 57.669 56.287 -0.042 0.000 0.935 478 K CB -0.122 32.292 32.500 -0.143 0.000 0.715 478 K HN 0.273 nan 8.250 nan 0.000 0.439 479 Y N -0.030 120.406 120.300 0.226 0.000 2.114 479 Y HA -0.231 4.329 4.550 0.017 0.000 0.284 479 Y C 2.312 178.337 175.900 0.209 0.000 1.143 479 Y CA 0.778 59.035 58.100 0.263 0.000 1.135 479 Y CB -0.822 37.936 38.460 0.496 0.000 0.980 479 Y HN 0.214 nan 8.280 nan 0.000 0.499 480 W N 0.630 122.015 121.300 0.141 0.000 2.355 480 W HA -0.239 4.430 4.660 0.016 0.000 0.309 480 W C 2.504 179.030 176.519 0.012 0.000 1.206 480 W CA 2.408 59.774 57.345 0.035 0.000 1.284 480 W CB -0.709 28.703 29.460 -0.079 0.000 1.145 480 W HN 0.241 nan 8.180 nan 0.000 0.502 481 T N -2.319 112.346 114.554 0.185 0.000 2.942 481 T HA -0.118 4.242 4.350 0.017 0.000 0.265 481 T C 1.442 176.168 174.700 0.042 0.000 1.062 481 T CA 1.086 63.222 62.100 0.060 0.000 1.139 481 T CB -0.594 68.286 68.868 0.021 0.000 0.883 481 T HN -0.086 nan 8.240 nan 0.000 0.468 482 N N 0.919 119.665 118.700 0.076 0.000 2.166 482 N HA -0.009 4.741 4.740 0.017 0.000 0.186 482 N C 1.355 176.867 175.510 0.003 0.000 1.019 482 N CA 0.980 54.056 53.050 0.043 0.000 0.856 482 N CB -0.613 37.922 38.487 0.080 0.000 0.993 482 N HN 0.495 nan 8.380 nan 0.000 0.426 483 F N 1.545 121.413 119.950 -0.137 0.000 2.186 483 F HA -0.011 4.527 4.527 0.018 0.000 0.299 483 F C 2.137 177.849 175.800 -0.146 0.000 1.090 483 F CA 1.158 59.024 58.000 -0.224 0.000 1.307 483 F CB -0.365 38.410 39.000 -0.375 0.000 1.019 483 F HN 0.016 nan 8.300 nan 0.000 0.489 484 A N 0.403 123.132 122.820 -0.152 0.000 1.902 484 A HA -0.167 4.163 4.320 0.017 0.000 0.217 484 A C 2.371 179.832 177.584 -0.204 0.000 1.181 484 A CA 1.627 53.545 52.037 -0.199 0.000 0.623 484 A CB -0.744 18.206 19.000 -0.084 0.000 0.818 484 A HN 0.432 nan 8.150 nan 0.000 0.443 485 R N -1.198 119.217 120.500 -0.141 0.000 2.092 485 R HA -0.084 4.266 4.340 0.017 0.000 0.231 485 R C 1.847 178.066 176.300 -0.135 0.000 1.119 485 R CA 1.853 57.888 56.100 -0.108 0.000 0.970 485 R CB -0.020 30.244 30.300 -0.060 0.000 0.864 485 R HN 0.729 nan 8.270 nan 0.000 0.440 486 T N -6.572 107.872 114.554 -0.184 0.000 3.046 486 T HA 0.209 4.569 4.350 0.017 0.000 0.270 486 T C 1.068 175.647 174.700 -0.202 0.000 0.920 486 T CA 0.401 62.412 62.100 -0.147 0.000 0.874 486 T CB 1.222 70.041 68.868 -0.080 0.000 1.214 486 T HN 0.262 nan 8.240 nan 0.000 0.536 487 G N 1.481 110.023 108.800 -0.429 0.000 2.148 487 G HA2 -0.172 3.798 3.960 0.017 0.000 0.254 487 G HA3 -0.172 3.798 3.960 0.017 0.000 0.254 487 G C -0.349 174.473 174.900 -0.131 0.000 0.981 487 G CA 0.297 45.084 45.100 -0.522 0.000 0.670 487 G HN 0.841 nan 8.290 nan 0.000 0.528 488 D N -0.697 119.626 120.400 -0.128 0.000 2.736 488 D HA 0.445 5.096 4.640 0.017 0.000 0.243 488 D C -1.371 174.795 176.300 -0.224 0.000 1.304 488 D CA -1.725 52.170 54.000 -0.175 0.000 0.934 488 D CB 2.040 42.821 40.800 -0.032 0.000 1.382 488 D HN 0.004 nan 8.370 nan 0.000 0.571 489 P HA -0.026 nan 4.420 nan 0.000 0.237 489 P C -0.057 177.259 177.300 0.027 0.000 1.178 489 P CA 0.023 62.953 63.100 -0.282 0.000 0.766 489 P CB 0.378 31.572 31.700 -0.843 0.000 0.876 490 N N 1.505 120.194 118.700 -0.019 0.000 2.530 490 N HA 0.023 4.773 4.740 0.017 0.000 0.273 490 N C 0.033 175.626 175.510 0.139 0.000 1.173 490 N CA 0.242 53.382 53.050 0.149 0.000 0.967 490 N CB 0.639 39.203 38.487 0.127 0.000 1.109 490 N HN 0.051 nan 8.380 nan 0.000 0.453 491 D N 2.563 123.067 120.400 0.174 0.000 2.338 491 D HA 0.063 4.713 4.640 0.017 0.000 0.255 491 D C -1.597 174.753 176.300 0.082 0.000 1.237 491 D CA -1.177 52.889 54.000 0.111 0.000 0.883 491 D CB 1.085 41.943 40.800 0.097 0.000 1.087 491 D HN 0.291 nan 8.370 nan 0.000 0.485 492 P HA 0.051 nan 4.420 nan 0.000 0.256 492 P C 0.557 177.882 177.300 0.041 0.000 1.335 492 P CA 0.386 63.515 63.100 0.047 0.000 0.808 492 P CB 0.217 31.937 31.700 0.033 0.000 1.305 493 R N -1.157 119.369 120.500 0.043 0.000 2.568 493 R HA 0.130 4.480 4.340 0.017 0.000 0.254 493 R C 0.473 176.798 176.300 0.041 0.000 0.925 493 R CA -0.003 56.119 56.100 0.037 0.000 1.025 493 R CB -1.032 29.285 30.300 0.028 0.000 1.428 493 R HN 0.037 nan 8.270 nan 0.000 0.573 494 D N 0.795 121.227 120.400 0.052 0.000 2.359 494 D HA 0.351 5.001 4.640 0.017 0.000 0.250 494 D C 0.930 177.267 176.300 0.062 0.000 1.264 494 D CA 0.738 54.772 54.000 0.057 0.000 0.911 494 D CB 1.100 41.943 40.800 0.070 0.000 1.056 494 D HN 0.433 nan 8.370 nan 0.000 0.499 495 S N 2.498 118.229 115.700 0.051 0.000 2.575 495 S HA 0.226 4.706 4.470 0.017 0.000 0.215 495 S C 1.081 175.710 174.600 0.049 0.000 0.966 495 S CA 0.062 58.292 58.200 0.049 0.000 0.911 495 S CB -0.108 63.116 63.200 0.040 0.000 0.780 495 S HN 0.472 nan 8.310 nan 0.000 0.514 496 K N 1.312 121.743 120.400 0.051 0.000 2.185 496 K HA 0.750 5.080 4.320 0.017 0.000 0.269 496 K C 0.500 177.139 176.600 0.064 0.000 0.987 496 K CA -0.421 55.896 56.287 0.050 0.000 0.865 496 K CB 0.539 33.065 32.500 0.042 0.000 1.090 496 K HN 0.239 nan 8.250 nan 0.000 0.450 497 S N 1.883 117.621 115.700 0.063 0.000 2.463 497 S HA 0.352 4.832 4.470 0.017 0.000 0.241 497 S C -1.635 173.017 174.600 0.087 0.000 1.299 497 S CA -0.278 57.967 58.200 0.075 0.000 0.979 497 S CB -0.398 62.839 63.200 0.061 0.000 0.950 497 S HN 0.813 nan 8.310 nan 0.000 0.516 498 P HA 0.361 nan 4.420 nan 0.000 0.279 498 P C -1.003 176.366 177.300 0.115 0.000 1.252 498 P CA -0.581 62.566 63.100 0.078 0.000 0.811 498 P CB 0.369 32.097 31.700 0.048 0.000 1.035 499 Q N 0.071 119.947 119.800 0.127 0.000 2.259 499 Q HA 0.133 4.483 4.340 0.017 0.000 0.246 499 Q C -0.628 175.519 176.000 0.246 0.000 0.920 499 Q CA -0.102 55.812 55.803 0.186 0.000 0.895 499 Q CB 0.787 29.626 28.738 0.169 0.000 1.220 499 Q HN 0.554 nan 8.270 nan 0.000 0.439 500 W N 6.355 127.703 121.300 0.080 0.000 2.585 500 W HA 0.221 4.892 4.660 0.019 0.000 0.337 500 W C -2.386 174.265 176.519 0.220 0.000 1.226 500 W CA -2.234 55.169 57.345 0.097 0.000 1.463 500 W CB -0.017 29.438 29.460 -0.008 0.000 1.458 500 W HN 0.391 nan 8.180 nan 0.000 0.458 501 P HA 0.322 nan 4.420 nan 0.000 0.279 501 P C -2.644 174.837 177.300 0.302 0.000 1.252 501 P CA -1.877 61.436 63.100 0.355 0.000 0.811 501 P CB 0.719 32.541 31.700 0.205 0.000 1.035 502 P HA 0.099 nan 4.420 nan 0.000 0.271 502 P C -0.706 176.574 177.300 -0.033 0.000 1.218 502 P CA 0.030 62.936 63.100 -0.324 0.000 0.780 502 P CB 0.048 31.525 31.700 -0.372 0.000 0.901 503 Y N 2.802 123.036 120.300 -0.110 0.000 2.436 503 Y HA 0.306 4.866 4.550 0.016 0.000 0.336 503 Y C 0.468 176.351 175.900 -0.028 0.000 1.049 503 Y CA 0.622 58.724 58.100 0.005 0.000 1.294 503 Y CB 0.125 38.606 38.460 0.035 0.000 1.179 503 Y HN 0.394 nan 8.280 nan 0.000 0.520 504 T N 0.105 114.401 114.554 -0.429 0.000 2.907 504 T HA 0.285 4.645 4.350 0.017 0.000 0.290 504 T C 0.922 175.371 174.700 -0.419 0.000 1.066 504 T CA -0.176 61.762 62.100 -0.270 0.000 1.012 504 T CB 1.347 70.124 68.868 -0.152 0.000 1.184 504 T HN 0.607 nan 8.240 nan 0.000 0.522 505 T N -1.255 113.191 114.554 -0.180 0.000 2.942 505 T HA 0.132 4.492 4.350 0.017 0.000 0.265 505 T C 2.282 176.915 174.700 -0.112 0.000 1.062 505 T CA 0.763 62.790 62.100 -0.123 0.000 1.139 505 T CB -0.826 68.036 68.868 -0.010 0.000 0.883 505 T HN 0.840 nan 8.240 nan 0.000 0.468 506 A N 2.232 124.998 122.820 -0.091 0.000 1.841 506 A HA 0.303 4.634 4.320 0.017 0.000 0.216 506 A C 2.762 180.299 177.584 -0.079 0.000 1.199 506 A CA 2.111 54.110 52.037 -0.064 0.000 0.621 506 A CB -1.424 17.549 19.000 -0.044 0.000 0.835 506 A HN 0.758 nan 8.150 nan 0.000 0.445 507 A N -2.536 120.218 122.820 -0.110 0.000 2.030 507 A HA 0.210 4.541 4.320 0.017 0.000 0.215 507 A C 1.040 178.554 177.584 -0.116 0.000 1.164 507 A CA 1.008 52.994 52.037 -0.084 0.000 0.697 507 A CB -0.297 18.669 19.000 -0.057 0.000 0.827 507 A HN 0.619 nan 8.150 nan 0.000 0.457 508 Q N -0.477 119.140 119.800 -0.306 0.000 2.468 508 Q HA -0.213 4.137 4.340 0.017 0.000 0.289 508 Q C -0.690 175.305 176.000 -0.008 0.000 1.299 508 Q CA 0.623 56.162 55.803 -0.440 0.000 0.838 508 Q CB -1.821 26.855 28.738 -0.103 0.000 1.195 508 Q HN 0.836 nan 8.270 nan 0.000 0.456 509 Q N 0.394 120.190 119.800 -0.008 0.000 2.314 509 Q HA 0.447 4.797 4.340 0.017 0.000 0.258 509 Q C -0.356 175.896 176.000 0.420 0.000 0.954 509 Q CA 0.113 56.012 55.803 0.160 0.000 0.890 509 Q CB 0.543 29.332 28.738 0.084 0.000 1.210 509 Q HN 0.354 nan 8.270 nan 0.000 0.410 510 Y N -1.392 119.044 120.300 0.227 0.000 2.655 510 Y HA 0.729 5.288 4.550 0.015 0.000 0.336 510 Y C -1.256 174.679 175.900 0.059 0.000 1.154 510 Y CA -1.474 56.772 58.100 0.243 0.000 1.055 510 Y CB 0.676 39.287 38.460 0.251 0.000 1.295 510 Y HN 0.331 nan 8.280 nan 0.000 0.465 511 V N -0.326 119.576 119.914 -0.020 0.000 2.864 511 V HA 0.835 4.965 4.120 0.017 0.000 0.314 511 V C -0.398 175.642 176.094 -0.089 0.000 1.073 511 V CA -0.586 61.526 62.300 -0.313 0.000 0.956 511 V CB 1.318 32.656 31.823 -0.808 0.000 1.023 511 V HN 1.200 nan 8.190 nan 0.000 0.435 512 S N 4.008 119.649 115.700 -0.097 0.000 2.475 512 S HA 0.699 5.179 4.470 0.017 0.000 0.281 512 S C -0.434 174.158 174.600 -0.013 0.000 1.198 512 S CA -0.668 57.550 58.200 0.029 0.000 1.063 512 S CB 0.577 63.788 63.200 0.019 0.000 0.972 512 S HN 0.764 nan 8.310 nan 0.000 0.486 513 L N 4.476 125.748 121.223 0.082 0.000 2.261 513 L HA 0.476 4.826 4.340 0.017 0.000 0.289 513 L C 0.076 176.942 176.870 -0.007 0.000 1.059 513 L CA -0.385 54.542 54.840 0.146 0.000 0.816 513 L CB -0.350 41.891 42.059 0.303 0.000 1.191 513 L HN 0.910 nan 8.230 nan 0.000 0.431 514 N N 2.270 120.899 118.700 -0.117 0.000 3.522 514 N HA 0.346 5.096 4.740 0.017 0.000 0.328 514 N C 0.260 175.304 175.510 -0.777 0.000 1.623 514 N CA -0.947 51.748 53.050 -0.591 0.000 0.812 514 N CB 0.553 38.833 38.487 -0.345 0.000 2.008 514 N HN 0.187 nan 8.380 nan 0.000 0.601 515 L N -0.716 120.060 121.223 -0.745 0.000 2.201 515 L HA 0.077 4.427 4.340 0.017 0.000 0.212 515 L C 0.670 177.397 176.870 -0.239 0.000 1.105 515 L CA 0.997 55.503 54.840 -0.557 0.000 0.775 515 L CB -0.479 41.333 42.059 -0.412 0.000 0.913 515 L HN 0.393 nan 8.230 nan 0.000 0.440 516 K N 0.190 120.487 120.400 -0.172 0.000 2.138 516 K HA 0.226 4.556 4.320 0.017 0.000 0.251 516 K C -2.133 174.445 176.600 -0.036 0.000 1.015 516 K CA -1.791 54.446 56.287 -0.083 0.000 0.917 516 K CB -0.111 32.347 32.500 -0.069 0.000 1.021 516 K HN -0.181 nan 8.250 nan 0.000 0.485 517 P HA -0.002 nan 4.420 nan 0.000 0.271 517 P C -0.435 176.875 177.300 0.016 0.000 1.233 517 P CA -0.216 62.902 63.100 0.031 0.000 0.789 517 P CB 0.361 32.078 31.700 0.030 0.000 0.951 518 L N 1.024 122.269 121.223 0.036 0.000 2.640 518 L HA -0.062 4.288 4.340 0.017 0.000 0.280 518 L C 1.123 177.958 176.870 -0.059 0.000 1.229 518 L CA 0.812 55.629 54.840 -0.038 0.000 0.919 518 L CB -0.357 41.667 42.059 -0.059 0.000 1.168 518 L HN 0.452 nan 8.230 nan 0.000 0.496 519 E N 3.067 123.210 120.200 -0.095 0.000 2.166 519 E HA 0.369 4.729 4.350 0.017 0.000 0.275 519 E C -1.230 175.276 176.600 -0.157 0.000 0.941 519 E CA -0.789 55.552 56.400 -0.097 0.000 0.784 519 E CB 1.739 31.390 29.700 -0.082 0.000 1.115 519 E HN 0.294 nan 8.360 nan 0.000 0.399 520 V N 5.494 125.327 119.914 -0.134 0.000 2.432 520 V HA 0.381 4.511 4.120 0.017 0.000 0.275 520 V C 0.278 176.239 176.094 -0.221 0.000 1.043 520 V CA -0.218 61.982 62.300 -0.167 0.000 0.925 520 V CB 0.993 32.771 31.823 -0.074 0.000 0.985 520 V HN 0.675 nan 8.190 nan 0.000 0.466 521 R N 3.996 124.244 120.500 -0.418 0.000 2.892 521 R HA 0.736 5.086 4.340 0.017 0.000 0.265 521 R C -0.870 175.214 176.300 -0.359 0.000 1.025 521 R CA -1.063 54.761 56.100 -0.459 0.000 0.982 521 R CB 2.570 32.425 30.300 -0.740 0.000 1.185 521 R HN 0.578 nan 8.270 nan 0.000 0.484 522 R N -0.077 120.375 120.500 -0.079 0.000 2.494 522 R HA 0.502 4.852 4.340 0.017 0.000 0.305 522 R C -0.692 175.776 176.300 0.280 0.000 0.959 522 R CA -0.374 55.790 56.100 0.105 0.000 0.864 522 R CB 2.175 32.506 30.300 0.052 0.000 1.159 522 R HN 0.901 nan 8.270 nan 0.000 0.446 523 G N 2.210 111.234 108.800 0.373 0.000 3.445 523 G HA2 -0.207 3.763 3.960 0.017 0.000 0.680 523 G HA3 -0.207 3.763 3.960 0.017 0.000 0.680 523 G C -1.165 173.936 174.900 0.335 0.000 0.972 523 G CA -0.913 44.372 45.100 0.308 0.000 0.798 523 G HN 0.411 nan 8.290 nan 0.000 0.461 524 L N 4.218 125.534 121.223 0.155 0.000 2.352 524 L HA 0.529 4.879 4.340 0.017 0.000 0.272 524 L C 1.572 178.448 176.870 0.011 0.000 1.109 524 L CA -0.354 54.404 54.840 -0.137 0.000 0.952 524 L CB -0.375 41.536 42.059 -0.247 0.000 1.314 524 L HN 0.685 nan 8.230 nan 0.000 0.427 525 R N 2.542 123.089 120.500 0.079 0.000 3.225 525 R HA -0.297 4.053 4.340 0.017 0.000 0.245 525 R C 1.335 177.729 176.300 0.157 0.000 0.928 525 R CA 0.550 56.730 56.100 0.133 0.000 0.632 525 R CB -1.958 28.430 30.300 0.147 0.000 1.038 525 R HN 0.731 nan 8.270 nan 0.000 0.461 526 A N 0.656 123.566 122.820 0.151 0.000 1.908 526 A HA -0.280 4.050 4.320 0.017 0.000 0.218 526 A C 2.086 179.763 177.584 0.155 0.000 1.181 526 A CA 1.717 53.844 52.037 0.149 0.000 0.627 526 A CB -0.168 18.913 19.000 0.135 0.000 0.818 526 A HN 0.437 nan 8.150 nan 0.000 0.445 527 Q N -0.749 119.140 119.800 0.149 0.000 2.046 527 Q HA -0.079 4.271 4.340 0.017 0.000 0.200 527 Q C 2.223 178.352 176.000 0.215 0.000 0.975 527 Q CA 2.319 58.212 55.803 0.150 0.000 0.836 527 Q CB -0.882 27.926 28.738 0.116 0.000 0.896 527 Q HN 0.613 nan 8.270 nan 0.000 0.428 528 T N -0.747 113.960 114.554 0.255 0.000 2.788 528 T HA -0.130 4.230 4.350 0.017 0.000 0.268 528 T C 1.836 176.809 174.700 0.455 0.000 1.044 528 T CA 1.331 63.659 62.100 0.379 0.000 1.139 528 T CB -0.385 68.713 68.868 0.383 0.000 0.867 528 T HN 0.350 nan 8.240 nan 0.000 0.454 529 c N 1.459 120.277 118.600 0.364 0.000 2.464 529 c HA 0.320 4.900 4.570 0.017 0.000 0.278 529 c C 3.116 177.374 174.090 0.280 0.000 1.375 529 c CA -0.202 56.346 56.329 0.365 0.000 1.761 529 c CB -1.386 41.266 42.510 0.238 0.000 1.944 529 c HN 0.637 nan 8.230 nan 0.000 0.509 530 A N 0.835 123.784 122.820 0.216 0.000 1.892 530 A HA -0.271 4.059 4.320 0.017 0.000 0.218 530 A C 1.890 179.567 177.584 0.155 0.000 1.188 530 A CA 2.058 54.191 52.037 0.160 0.000 0.631 530 A CB -0.944 18.133 19.000 0.129 0.000 0.822 530 A HN 0.550 nan 8.150 nan 0.000 0.447 531 F N -0.994 118.947 119.950 -0.014 0.000 2.069 531 F HA -0.213 4.326 4.527 0.020 0.000 0.298 531 F C 1.998 177.756 175.800 -0.070 0.000 1.113 531 F CA 1.969 59.879 58.000 -0.150 0.000 1.214 531 F CB -0.558 38.095 39.000 -0.578 0.000 0.978 531 F HN 0.393 nan 8.300 nan 0.000 0.474 532 W N 0.319 121.607 121.300 -0.020 0.000 2.436 532 W HA -0.089 4.580 4.660 0.015 0.000 0.284 532 W C 2.075 178.536 176.519 -0.096 0.000 1.225 532 W CA 0.833 58.122 57.345 -0.093 0.000 1.271 532 W CB -0.311 29.237 29.460 0.147 0.000 1.114 532 W HN -0.021 nan 8.180 nan 0.000 0.559 533 N N -0.703 118.104 118.700 0.179 0.000 2.415 533 N HA 0.064 4.814 4.740 0.017 0.000 0.174 533 N C 1.505 177.041 175.510 0.043 0.000 1.048 533 N CA 0.736 53.849 53.050 0.104 0.000 0.895 533 N CB -0.190 38.363 38.487 0.109 0.000 1.036 533 N HN 0.198 nan 8.380 nan 0.000 0.449 534 R N -1.224 119.301 120.500 0.042 0.000 2.167 534 R HA 0.226 4.576 4.340 0.017 0.000 0.201 534 R C 1.188 177.510 176.300 0.036 0.000 1.024 534 R CA 0.261 56.388 56.100 0.044 0.000 1.053 534 R CB 0.083 30.430 30.300 0.078 0.000 0.987 534 R HN 0.070 nan 8.270 nan 0.000 0.493 535 F N 0.745 120.570 119.950 -0.208 0.000 2.343 535 F HA 0.109 4.646 4.527 0.018 0.000 0.286 535 F C 1.829 177.417 175.800 -0.353 0.000 1.057 535 F CA 0.156 58.006 58.000 -0.250 0.000 1.365 535 F CB -0.315 38.553 39.000 -0.220 0.000 1.114 535 F HN -0.178 nan 8.300 nan 0.000 0.545 536 L N 1.724 122.540 121.223 -0.678 0.000 2.021 536 L HA -0.161 4.189 4.340 0.017 0.000 0.215 536 L C -0.955 175.666 176.870 -0.414 0.000 1.074 536 L CA 2.455 56.889 54.840 -0.677 0.000 0.760 536 L CB -1.728 39.941 42.059 -0.651 0.000 0.889 536 L HN 0.026 nan 8.230 nan 0.000 0.433 537 P HA -0.187 nan 4.420 nan 0.000 0.215 537 P C 1.433 178.605 177.300 -0.212 0.000 1.157 537 P CA 1.605 64.599 63.100 -0.177 0.000 0.868 537 P CB -0.086 31.552 31.700 -0.104 0.000 0.788 538 K N -0.969 119.278 120.400 -0.254 0.000 2.152 538 K HA -0.154 4.176 4.320 0.017 0.000 0.206 538 K C 1.943 178.350 176.600 -0.322 0.000 1.048 538 K CA 1.056 57.197 56.287 -0.243 0.000 0.933 538 K CB -0.771 31.612 32.500 -0.195 0.000 0.721 538 K HN 0.074 nan 8.250 nan 0.000 0.447 539 L N 1.127 122.042 121.223 -0.514 0.000 2.072 539 L HA -0.095 4.255 4.340 0.017 0.000 0.205 539 L C 1.868 178.581 176.870 -0.261 0.000 1.079 539 L CA 1.336 55.893 54.840 -0.471 0.000 0.752 539 L CB -0.191 41.454 42.059 -0.690 0.000 0.906 539 L HN 0.089 nan 8.230 nan 0.000 0.436 540 L N -0.776 120.310 121.223 -0.228 0.000 2.056 540 L HA -0.141 4.209 4.340 0.017 0.000 0.207 540 L C 2.886 179.688 176.870 -0.113 0.000 1.078 540 L CA 1.205 55.959 54.840 -0.142 0.000 0.749 540 L CB -1.297 40.692 42.059 -0.117 0.000 0.901 540 L HN 0.445 nan 8.230 nan 0.000 0.433 541 S N 0.234 115.863 115.700 -0.119 0.000 2.380 541 S HA -0.119 4.361 4.470 0.017 0.000 0.229 541 S C 1.214 175.767 174.600 -0.079 0.000 1.050 541 S CA 2.100 60.246 58.200 -0.090 0.000 1.100 541 S CB -0.475 62.671 63.200 -0.089 0.000 0.984 541 S HN 0.425 nan 8.310 nan 0.000 0.434 542 A N 0.000 122.766 122.820 -0.091 0.000 2.254 542 A HA 0.000 4.330 4.320 0.017 0.000 0.244 542 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 542 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486