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 2xui_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSAFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.042 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.718 29.700 0.031 0.000 0.812 5 D N 2.022 122.455 120.400 0.055 0.000 2.470 5 D HA 0.299 4.956 4.640 0.028 0.000 0.233 5 D C -2.059 174.283 176.300 0.070 0.000 1.372 5 D CA -1.632 52.411 54.000 0.073 0.000 0.994 5 D CB 1.825 42.687 40.800 0.104 0.000 1.377 5 D HN 0.137 nan 8.370 nan 0.000 0.586 6 P HA -0.205 nan 4.420 nan 0.000 0.216 6 P C 1.178 178.497 177.300 0.033 0.000 1.154 6 P CA 1.103 64.220 63.100 0.028 0.000 0.865 6 P CB 0.450 32.154 31.700 0.006 0.000 0.789 7 Q N -0.964 118.844 119.800 0.013 0.000 2.437 7 Q HA 0.003 4.360 4.340 0.028 0.000 0.210 7 Q C 1.863 177.949 176.000 0.144 0.000 0.972 7 Q CA 0.856 56.652 55.803 -0.011 0.000 0.903 7 Q CB -0.270 28.307 28.738 -0.268 0.000 0.967 7 Q HN 0.433 nan 8.270 nan 0.000 0.486 8 L N -0.286 121.041 121.223 0.174 0.000 2.808 8 L HA 0.261 4.618 4.340 0.028 0.000 0.246 8 L C 0.197 177.258 176.870 0.318 0.000 1.153 8 L CA -0.128 54.854 54.840 0.237 0.000 0.956 8 L CB 0.475 42.596 42.059 0.102 0.000 1.270 8 L HN -0.029 nan 8.230 nan 0.000 0.528 9 L N 0.867 122.215 121.223 0.208 0.000 2.296 9 L HA 0.532 4.889 4.340 0.028 0.000 0.286 9 L C -0.865 176.033 176.870 0.046 0.000 1.023 9 L CA -0.464 54.462 54.840 0.143 0.000 0.812 9 L CB 2.097 44.203 42.059 0.078 0.000 1.223 9 L HN -0.216 nan 8.230 nan 0.000 0.421 10 V N 3.829 123.725 119.914 -0.029 0.000 2.638 10 V HA 0.416 4.553 4.120 0.028 0.000 0.306 10 V C -0.290 175.706 176.094 -0.163 0.000 1.052 10 V CA -0.782 61.356 62.300 -0.270 0.000 0.885 10 V CB 2.174 33.516 31.823 -0.803 0.000 0.999 10 V HN 0.689 nan 8.190 nan 0.000 0.424 11 R N 3.887 124.284 120.500 -0.172 0.000 2.196 11 R HA 0.646 5.003 4.340 0.028 0.000 0.340 11 R C -0.383 175.823 176.300 -0.156 0.000 1.043 11 R CA -0.297 55.737 56.100 -0.110 0.000 0.883 11 R CB 1.134 31.377 30.300 -0.096 0.000 1.078 11 R HN 0.714 nan 8.270 nan 0.000 0.462 12 V N 2.160 122.033 119.914 -0.068 0.000 3.463 12 V HA 0.423 4.560 4.120 0.028 0.000 0.302 12 V C 1.366 177.387 176.094 -0.122 0.000 1.097 12 V CA -0.670 61.590 62.300 -0.068 0.000 1.003 12 V CB 1.420 33.338 31.823 0.158 0.000 1.229 12 V HN 0.900 nan 8.190 nan 0.000 0.444 13 R N 0.530 120.943 120.500 -0.145 0.000 2.115 13 R HA 0.057 4.413 4.340 0.028 0.000 0.230 13 R C 1.673 177.834 176.300 -0.233 0.000 1.111 13 R CA 1.865 57.866 56.100 -0.166 0.000 0.976 13 R CB -0.799 29.413 30.300 -0.147 0.000 0.870 13 R HN 0.995 nan 8.270 nan 0.000 0.445 14 G N -1.158 107.440 108.800 -0.336 0.000 3.189 14 G HA2 0.446 4.423 3.960 0.028 0.000 0.225 14 G HA3 0.446 4.423 3.960 0.028 0.000 0.225 14 G C 0.092 174.067 174.900 -1.541 0.000 1.159 14 G CA 0.197 44.861 45.100 -0.726 0.000 0.763 14 G HN 0.657 nan 8.290 nan 0.000 0.549 15 G N -0.808 107.390 108.800 -1.005 0.000 2.325 15 G HA2 0.119 4.096 3.960 0.028 0.000 0.285 15 G HA3 0.119 4.096 3.960 0.028 0.000 0.285 15 G C -1.196 173.670 174.900 -0.056 0.000 1.303 15 G CA -0.995 43.610 45.100 -0.826 0.000 0.970 15 G HN 0.241 nan 8.290 nan 0.000 0.490 16 Q N -0.456 119.506 119.800 0.270 0.000 2.222 16 Q HA 0.716 5.073 4.340 0.028 0.000 0.252 16 Q C -0.501 175.779 176.000 0.467 0.000 0.926 16 Q CA -0.403 55.582 55.803 0.303 0.000 0.899 16 Q CB 2.241 31.089 28.738 0.184 0.000 1.250 16 Q HN 0.470 nan 8.270 nan 0.000 0.441 17 L N 1.240 122.645 121.223 0.303 0.000 2.370 17 L HA 0.604 4.961 4.340 0.028 0.000 0.266 17 L C -0.382 176.644 176.870 0.260 0.000 1.002 17 L CA -0.783 54.231 54.840 0.291 0.000 0.818 17 L CB 2.322 44.580 42.059 0.332 0.000 1.325 17 L HN 0.431 nan 8.230 nan 0.000 0.418 18 R N 0.628 121.267 120.500 0.231 0.000 2.393 18 R HA 0.603 4.960 4.340 0.028 0.000 0.315 18 R C -0.266 176.146 176.300 0.187 0.000 0.952 18 R CA -0.352 55.870 56.100 0.204 0.000 0.842 18 R CB 1.789 32.148 30.300 0.100 0.000 1.163 18 R HN 0.824 nan 8.270 nan 0.000 0.450 19 G N 3.218 112.107 108.800 0.148 0.000 2.537 19 G HA2 0.431 4.407 3.960 0.028 0.000 0.297 19 G HA3 0.431 4.407 3.960 0.028 0.000 0.297 19 G C -0.886 173.864 174.900 -0.249 0.000 1.310 19 G CA -0.672 44.245 45.100 -0.305 0.000 1.027 19 G HN 0.599 nan 8.290 nan 0.000 0.505 20 I N -1.091 119.272 120.570 -0.345 0.000 2.608 20 I HA 0.537 4.723 4.170 0.028 0.000 0.295 20 I C -0.005 175.979 176.117 -0.222 0.000 1.049 20 I CA -1.169 59.997 61.300 -0.224 0.000 1.063 20 I CB 2.030 39.910 38.000 -0.200 0.000 1.248 20 I HN 0.410 nan 8.210 nan 0.000 0.424 21 R N 7.312 127.715 120.500 -0.162 0.000 2.265 21 R HA 0.553 4.910 4.340 0.028 0.000 0.314 21 R C -1.591 174.603 176.300 -0.175 0.000 1.053 21 R CA -0.368 55.617 56.100 -0.192 0.000 0.931 21 R CB 0.719 30.849 30.300 -0.284 0.000 1.024 21 R HN 0.676 nan 8.270 nan 0.000 0.457 22 L N 3.096 124.230 121.223 -0.148 0.000 2.319 22 L HA 0.471 4.828 4.340 0.028 0.000 0.267 22 L C -0.209 176.591 176.870 -0.116 0.000 1.011 22 L CA -0.964 53.811 54.840 -0.108 0.000 0.818 22 L CB 1.964 43.993 42.059 -0.051 0.000 1.316 22 L HN 0.499 nan 8.230 nan 0.000 0.432 23 K N 1.490 121.830 120.400 -0.099 0.000 2.253 23 K HA 0.619 4.956 4.320 0.028 0.000 0.277 23 K C -0.771 175.771 176.600 -0.098 0.000 1.053 23 K CA -0.322 55.911 56.287 -0.089 0.000 0.892 23 K CB 1.312 33.773 32.500 -0.066 0.000 1.102 23 K HN 0.675 nan 8.250 nan 0.000 0.469 24 A N 5.259 128.021 122.820 -0.096 0.000 2.306 24 A HA 0.449 4.786 4.320 0.028 0.000 0.330 24 A C -1.981 175.605 177.584 0.003 0.000 1.146 24 A CA -1.722 50.257 52.037 -0.096 0.000 0.827 24 A CB 0.599 19.527 19.000 -0.119 0.000 1.178 24 A HN 0.642 nan 8.150 nan 0.000 0.490 25 P HA -0.115 nan 4.420 nan 0.000 0.216 25 P C 1.304 178.632 177.300 0.048 0.000 1.150 25 P CA 1.998 65.145 63.100 0.077 0.000 0.843 25 P CB 0.232 32.003 31.700 0.119 0.000 0.787 26 G N -2.231 106.600 108.800 0.052 0.000 3.042 26 G HA2 0.444 4.421 3.960 0.028 0.000 0.212 26 G HA3 0.444 4.421 3.960 0.028 0.000 0.212 26 G C 0.513 175.430 174.900 0.028 0.000 1.166 26 G CA 0.470 45.594 45.100 0.039 0.000 0.767 26 G HN 0.606 nan 8.290 nan 0.000 0.546 27 G N -0.590 108.219 108.800 0.015 0.000 2.352 27 G HA2 0.360 4.337 3.960 0.028 0.000 0.302 27 G HA3 0.360 4.337 3.960 0.028 0.000 0.302 27 G C -3.380 171.508 174.900 -0.020 0.000 1.370 27 G CA -0.748 44.355 45.100 0.005 0.000 0.918 27 G HN 0.040 nan 8.290 nan 0.000 0.610 28 P HA 0.529 nan 4.420 nan 0.000 0.274 28 P C -0.043 177.248 177.300 -0.014 0.000 1.237 28 P CA -0.234 62.790 63.100 -0.127 0.000 0.793 28 P CB 1.607 33.087 31.700 -0.367 0.000 0.977 29 V N -2.148 117.757 119.914 -0.015 0.000 2.962 29 V HA 0.589 4.726 4.120 0.028 0.000 0.313 29 V C -0.320 175.848 176.094 0.123 0.000 1.099 29 V CA -0.887 61.485 62.300 0.121 0.000 0.971 29 V CB 1.742 33.640 31.823 0.126 0.000 1.028 29 V HN 0.423 nan 8.190 nan 0.000 0.430 30 S N 2.125 117.956 115.700 0.218 0.000 2.513 30 S HA 0.820 5.307 4.470 0.028 0.000 0.276 30 S C 0.119 174.658 174.600 -0.102 0.000 1.254 30 S CA 0.111 58.349 58.200 0.063 0.000 1.053 30 S CB 1.120 64.442 63.200 0.202 0.000 0.958 30 S HN 1.595 nan 8.310 nan 0.000 0.491 31 A N 2.808 125.366 122.820 -0.437 0.000 2.371 31 A HA 0.808 5.145 4.320 0.028 0.000 0.311 31 A C -1.257 175.843 177.584 -0.807 0.000 1.068 31 A CA -0.671 51.025 52.037 -0.568 0.000 0.744 31 A CB 0.619 19.314 19.000 -0.509 0.000 1.239 31 A HN 0.683 nan 8.150 nan 0.000 0.435 32 F N 2.594 122.371 119.950 -0.287 0.000 2.513 32 F HA 0.522 5.066 4.527 0.028 0.000 0.358 32 F C -0.289 175.320 175.800 -0.318 0.000 1.118 32 F CA -0.323 57.583 58.000 -0.156 0.000 1.037 32 F CB 1.376 40.443 39.000 0.112 0.000 1.276 32 F HN 0.346 nan 8.300 nan 0.000 0.446 33 L N 1.893 122.970 121.223 -0.244 0.000 2.342 33 L HA 0.786 5.143 4.340 0.028 0.000 0.271 33 L C 0.836 177.590 176.870 -0.193 0.000 1.008 33 L CA -1.170 53.453 54.840 -0.362 0.000 0.818 33 L CB 1.888 43.512 42.059 -0.726 0.000 1.296 33 L HN 0.796 nan 8.230 nan 0.000 0.427 34 G N 2.529 111.273 108.800 -0.093 0.000 2.225 34 G HA2 -0.242 3.735 3.960 0.028 0.000 0.264 34 G HA3 -0.242 3.735 3.960 0.028 0.000 0.264 34 G C -0.119 174.816 174.900 0.058 0.000 1.060 34 G CA -0.315 44.751 45.100 -0.056 0.000 0.833 34 G HN 0.465 nan 8.290 nan 0.000 0.498 35 I N 1.836 122.452 120.570 0.077 0.000 2.471 35 I HA 0.241 4.428 4.170 0.028 0.000 0.286 35 I C -1.531 174.648 176.117 0.104 0.000 1.079 35 I CA -2.109 59.219 61.300 0.047 0.000 1.398 35 I CB 1.033 38.994 38.000 -0.065 0.000 1.403 35 I HN -0.039 nan 8.210 nan 0.000 0.530 36 P HA 0.075 nan 4.420 nan 0.000 0.282 36 P C -0.206 177.014 177.300 -0.133 0.000 1.262 36 P CA -0.112 62.837 63.100 -0.251 0.000 0.773 36 P CB 0.442 32.008 31.700 -0.223 0.000 0.879 37 F N 1.292 121.060 119.950 -0.304 0.000 2.678 37 F HA 0.735 5.278 4.527 0.028 0.000 0.305 37 F C 0.063 175.842 175.800 -0.035 0.000 1.090 37 F CA -0.818 57.074 58.000 -0.181 0.000 1.272 37 F CB 0.253 39.057 39.000 -0.327 0.000 1.060 37 F HN 0.321 nan 8.300 nan 0.000 0.576 38 A N 0.003 122.531 122.820 -0.487 0.000 2.604 38 A HA 0.500 4.837 4.320 0.028 0.000 0.295 38 A C -0.893 176.514 177.584 -0.295 0.000 1.067 38 A CA -0.868 50.966 52.037 -0.339 0.000 0.683 38 A CB 0.851 19.569 19.000 -0.471 0.000 1.281 38 A HN 0.076 nan 8.150 nan 0.000 0.407 39 E N 1.504 121.619 120.200 -0.141 0.000 2.480 39 E HA 0.146 4.513 4.350 0.028 0.000 0.258 39 E C -2.269 174.233 176.600 -0.164 0.000 0.984 39 E CA -1.071 55.263 56.400 -0.111 0.000 0.930 39 E CB -0.213 29.460 29.700 -0.046 0.000 0.936 39 E HN 0.231 nan 8.360 nan 0.000 0.466 40 P HA -0.049 nan 4.420 nan 0.000 0.255 40 P C -2.165 175.069 177.300 -0.109 0.000 1.161 40 P CA -0.455 62.562 63.100 -0.139 0.000 0.768 40 P CB -0.098 31.557 31.700 -0.074 0.000 0.746 41 P HA 0.011 nan 4.420 nan 0.000 0.220 41 P C -0.330 176.909 177.300 -0.101 0.000 1.806 41 P CA 0.095 63.139 63.100 -0.094 0.000 0.976 41 P CB -0.123 31.525 31.700 -0.086 0.000 1.952 42 V N -2.564 117.295 119.914 -0.090 0.000 2.850 42 V HA 0.879 5.016 4.120 0.028 0.000 0.315 42 V C 1.106 177.151 176.094 -0.082 0.000 1.064 42 V CA 0.133 62.376 62.300 -0.095 0.000 0.979 42 V CB 0.773 32.550 31.823 -0.078 0.000 1.039 42 V HN 0.541 nan 8.190 nan 0.000 0.452 43 G N 2.828 111.576 108.800 -0.087 0.000 2.675 43 G HA2 -0.372 3.605 3.960 0.028 0.000 0.312 43 G HA3 -0.372 3.605 3.960 0.028 0.000 0.312 43 G C 1.299 176.160 174.900 -0.066 0.000 1.186 43 G CA 1.715 46.776 45.100 -0.066 0.000 0.965 43 G HN 2.290 nan 8.290 nan 0.000 0.548 44 S N 1.256 116.932 115.700 -0.040 0.000 2.527 44 S HA 0.076 4.563 4.470 0.028 0.000 0.222 44 S C 1.746 176.331 174.600 -0.024 0.000 0.985 44 S CA 1.217 59.404 58.200 -0.022 0.000 0.921 44 S CB -0.127 63.070 63.200 -0.005 0.000 0.772 44 S HN 0.937 nan 8.310 nan 0.000 0.529 45 R N 1.122 121.596 120.500 -0.043 0.000 2.480 45 R HA 0.321 4.678 4.340 0.028 0.000 0.277 45 R C 0.477 176.723 176.300 -0.090 0.000 1.008 45 R CA -0.444 55.630 56.100 -0.042 0.000 1.090 45 R CB -0.252 30.031 30.300 -0.028 0.000 1.234 45 R HN 0.279 nan 8.270 nan 0.000 0.549 46 R N 1.115 121.510 120.500 -0.176 0.000 2.442 46 R HA -0.012 4.345 4.340 0.028 0.000 0.291 46 R C -0.534 175.507 176.300 -0.432 0.000 1.069 46 R CA 0.211 56.068 56.100 -0.405 0.000 1.022 46 R CB 0.172 30.104 30.300 -0.615 0.000 0.976 46 R HN 0.263 nan 8.270 nan 0.000 0.443 47 F N -0.451 119.502 119.950 0.006 0.000 2.656 47 F HA -0.274 4.269 4.527 0.028 0.000 0.381 47 F C -0.017 175.769 175.800 -0.022 0.000 0.603 47 F CA 0.429 58.410 58.000 -0.032 0.000 1.335 47 F CB -1.563 37.405 39.000 -0.053 0.000 1.836 47 F HN 0.470 nan 8.300 nan 0.000 0.290 48 M N 1.099 120.759 119.600 0.099 0.000 2.409 48 M HA 0.415 4.912 4.480 0.028 0.000 0.329 48 M C -1.998 174.332 176.300 0.051 0.000 1.180 48 M CA -1.407 53.936 55.300 0.073 0.000 1.053 48 M CB 0.840 33.469 32.600 0.048 0.000 1.586 48 M HN -0.364 nan 8.290 nan 0.000 0.461 49 P HA 0.120 nan 4.420 nan 0.000 0.266 49 P C -2.399 174.934 177.300 0.054 0.000 1.195 49 P CA -0.550 62.587 63.100 0.062 0.000 0.768 49 P CB -0.454 31.291 31.700 0.075 0.000 0.838 50 P HA 0.139 nan 4.420 nan 0.000 0.274 50 P C -0.466 176.869 177.300 0.059 0.000 1.231 50 P CA 0.174 63.302 63.100 0.047 0.000 0.790 50 P CB 0.943 32.691 31.700 0.079 0.000 0.951 51 E N 1.932 122.152 120.200 0.033 0.000 2.212 51 E HA 0.399 4.766 4.350 0.028 0.000 0.270 51 E C -2.298 174.338 176.600 0.060 0.000 0.956 51 E CA -2.175 54.254 56.400 0.049 0.000 0.825 51 E CB 0.792 30.512 29.700 0.033 0.000 1.167 51 E HN 0.314 nan 8.360 nan 0.000 0.400 52 P HA 0.008 nan 4.420 nan 0.000 0.268 52 P C -0.346 177.018 177.300 0.107 0.000 1.205 52 P CA -0.150 63.029 63.100 0.132 0.000 0.771 52 P CB 0.418 32.202 31.700 0.140 0.000 0.858 53 K N 3.610 124.091 120.400 0.135 0.000 2.489 53 K HA 0.008 4.345 4.320 0.028 0.000 0.278 53 K C 0.088 176.789 176.600 0.169 0.000 1.000 53 K CA 0.459 56.828 56.287 0.136 0.000 1.012 53 K CB 0.184 32.798 32.500 0.191 0.000 0.903 53 K HN 0.285 nan 8.250 nan 0.000 0.485 54 R N 4.720 125.306 120.500 0.145 0.000 2.641 54 R HA 0.185 4.542 4.340 0.028 0.000 0.269 54 R C -1.989 174.411 176.300 0.168 0.000 1.074 54 R CA -1.690 54.484 56.100 0.123 0.000 1.133 54 R CB 0.093 30.450 30.300 0.095 0.000 1.029 54 R HN 0.585 nan 8.270 nan 0.000 0.488 55 P HA -0.109 nan 4.420 nan 0.000 0.267 55 P C -1.236 176.097 177.300 0.055 0.000 1.201 55 P CA 0.297 63.326 63.100 -0.119 0.000 0.775 55 P CB 0.302 31.918 31.700 -0.140 0.000 0.854 56 W N 0.654 121.986 121.300 0.053 0.000 2.864 56 W HA 0.653 5.330 4.660 0.028 0.000 0.343 56 W C -0.499 176.043 176.519 0.039 0.000 1.109 56 W CA -1.114 56.259 57.345 0.047 0.000 1.192 56 W CB 0.020 29.516 29.460 0.060 0.000 1.426 56 W HN 0.377 nan 8.180 nan 0.000 0.529 57 S N 2.164 118.023 115.700 0.265 0.000 2.603 57 S HA 0.645 5.132 4.470 0.028 0.000 0.268 57 S C 0.874 175.623 174.600 0.249 0.000 1.317 57 S CA 0.315 58.616 58.200 0.168 0.000 1.012 57 S CB 0.548 63.818 63.200 0.117 0.000 0.926 57 S HN 2.134 nan 8.310 nan 0.000 0.539 58 G N 0.846 109.741 108.800 0.159 0.000 2.581 58 G HA2 -0.221 3.756 3.960 0.028 0.000 0.291 58 G HA3 -0.221 3.756 3.960 0.028 0.000 0.291 58 G C -0.328 174.719 174.900 0.245 0.000 1.277 58 G CA 0.034 45.229 45.100 0.158 0.000 0.959 58 G HN 1.710 nan 8.290 nan 0.000 0.554 59 V N 0.723 120.753 119.914 0.193 0.000 2.394 59 V HA 0.567 4.704 4.120 0.028 0.000 0.282 59 V C 0.481 176.658 176.094 0.139 0.000 1.031 59 V CA -0.370 62.048 62.300 0.196 0.000 0.881 59 V CB 1.265 33.161 31.823 0.122 0.000 0.982 59 V HN 0.789 nan 8.190 nan 0.000 0.451 60 L N 4.277 125.568 121.223 0.113 0.000 2.292 60 L HA 0.444 4.801 4.340 0.028 0.000 0.284 60 L C 0.288 177.120 176.870 -0.063 0.000 1.065 60 L CA 0.266 55.018 54.840 -0.147 0.000 0.806 60 L CB 1.157 42.819 42.059 -0.662 0.000 1.175 60 L HN 0.707 nan 8.230 nan 0.000 0.431 61 D N 4.582 124.932 120.400 -0.084 0.000 2.339 61 D HA 0.280 4.937 4.640 0.028 0.000 0.256 61 D C -0.786 175.469 176.300 -0.076 0.000 1.214 61 D CA 0.054 54.021 54.000 -0.056 0.000 0.877 61 D CB 1.308 42.069 40.800 -0.065 0.000 1.111 61 D HN 0.684 nan 8.370 nan 0.000 0.478 62 A N 3.136 125.938 122.820 -0.030 0.000 3.248 62 A HA 0.293 4.630 4.320 0.028 0.000 0.315 62 A C 0.616 178.138 177.584 -0.103 0.000 0.974 62 A CA -0.532 51.483 52.037 -0.037 0.000 0.939 62 A CB 0.053 19.112 19.000 0.098 0.000 1.061 62 A HN 0.524 nan 8.150 nan 0.000 0.481 63 T N -3.168 111.292 114.554 -0.156 0.000 3.058 63 T HA 0.337 4.704 4.350 0.028 0.000 0.278 63 T C 0.464 175.012 174.700 -0.253 0.000 0.974 63 T CA 0.630 62.609 62.100 -0.202 0.000 0.893 63 T CB -0.169 68.614 68.868 -0.142 0.000 1.138 63 T HN 0.865 nan 8.240 nan 0.000 0.529 64 T N -0.418 113.977 114.554 -0.265 0.000 2.900 64 T HA 0.701 5.068 4.350 0.028 0.000 0.303 64 T C -0.823 173.705 174.700 -0.287 0.000 1.142 64 T CA -0.852 61.079 62.100 -0.282 0.000 1.007 64 T CB 1.003 69.783 68.868 -0.147 0.000 1.156 64 T HN -0.016 nan 8.240 nan 0.000 0.490 65 F N 2.038 121.926 119.950 -0.103 0.000 2.595 65 F HA 0.305 4.849 4.527 0.028 0.000 0.359 65 F C 1.479 177.186 175.800 -0.155 0.000 1.147 65 F CA -0.005 57.935 58.000 -0.100 0.000 1.341 65 F CB 0.393 39.361 39.000 -0.052 0.000 1.104 65 F HN 0.473 nan 8.300 nan 0.000 0.603 66 Q N 1.289 121.099 119.800 0.018 0.000 2.173 66 Q HA 0.236 4.593 4.340 0.028 0.000 0.186 66 Q C -0.244 175.687 176.000 -0.114 0.000 1.018 66 Q CA -0.808 54.857 55.803 -0.231 0.000 1.064 66 Q CB 0.509 28.816 28.738 -0.719 0.000 1.130 66 Q HN 0.503 nan 8.270 nan 0.000 0.553 67 N N -0.020 118.584 118.700 -0.160 0.000 2.353 67 N HA -0.014 4.743 4.740 0.028 0.000 0.248 67 N C -0.502 174.994 175.510 -0.022 0.000 1.240 67 N CA 0.175 53.182 53.050 -0.072 0.000 0.862 67 N CB 0.311 38.766 38.487 -0.054 0.000 1.086 67 N HN 0.173 nan 8.380 nan 0.000 0.453 68 V N 2.166 122.045 119.914 -0.058 0.000 2.583 68 V HA 0.028 4.165 4.120 0.028 0.000 0.287 68 V C 0.736 176.791 176.094 -0.066 0.000 1.051 68 V CA -0.781 61.474 62.300 -0.075 0.000 1.010 68 V CB 0.818 32.561 31.823 -0.134 0.000 0.988 68 V HN 0.726 nan 8.190 nan 0.000 0.478 69 c N 4.733 123.312 118.600 -0.036 0.000 2.634 69 c HA 0.045 4.632 4.570 0.028 0.000 0.417 69 c C 0.541 174.594 174.090 -0.061 0.000 1.334 69 c CA -0.510 55.802 56.329 -0.029 0.000 1.829 69 c CB -1.050 41.470 42.510 0.016 0.000 2.665 69 c HN 0.745 nan 8.230 nan 0.000 0.614 70 Y N 4.054 124.221 120.300 -0.222 0.000 2.721 70 Y HA 0.217 4.784 4.550 0.028 0.000 0.329 70 Y C 0.822 176.722 175.900 -0.001 0.000 1.211 70 Y CA 1.053 59.014 58.100 -0.231 0.000 1.512 70 Y CB 0.115 38.219 38.460 -0.593 0.000 1.249 70 Y HN 0.730 nan 8.280 nan 0.000 0.549 71 Q N 3.945 123.728 119.800 -0.028 0.000 2.522 71 Q HA 0.243 4.600 4.340 0.028 0.000 0.285 71 Q C -1.869 174.264 176.000 0.221 0.000 0.982 71 Q CA -1.172 54.762 55.803 0.218 0.000 0.805 71 Q CB 1.273 30.095 28.738 0.140 0.000 1.457 71 Q HN 0.674 nan 8.270 nan 0.000 0.394 72 Y N 1.032 121.544 120.300 0.354 0.000 2.620 72 Y HA 0.225 4.792 4.550 0.029 0.000 0.330 72 Y C -0.372 175.689 175.900 0.268 0.000 1.186 72 Y CA 0.095 58.411 58.100 0.360 0.000 1.467 72 Y CB 0.895 39.703 38.460 0.579 0.000 1.262 72 Y HN 0.434 nan 8.280 nan 0.000 0.550 73 V N 5.923 126.063 119.914 0.377 0.000 2.439 73 V HA 0.040 4.177 4.120 0.028 0.000 0.282 73 V C -0.192 176.150 176.094 0.414 0.000 1.039 73 V CA -0.888 61.580 62.300 0.280 0.000 0.913 73 V CB 1.413 33.289 31.823 0.089 0.000 0.983 73 V HN 0.652 nan 8.190 nan 0.000 0.460 74 D N 3.584 124.177 120.400 0.323 0.000 2.358 74 D HA 0.100 4.757 4.640 0.028 0.000 0.258 74 D C 0.935 177.374 176.300 0.232 0.000 1.223 74 D CA 0.209 54.390 54.000 0.302 0.000 0.886 74 D CB 1.257 42.243 40.800 0.310 0.000 1.120 74 D HN 0.764 nan 8.370 nan 0.000 0.482 75 T N 1.256 115.930 114.554 0.200 0.000 3.228 75 T HA 0.060 4.427 4.350 0.028 0.000 0.278 75 T C 1.610 176.327 174.700 0.030 0.000 1.014 75 T CA -0.494 61.680 62.100 0.124 0.000 0.904 75 T CB -0.013 68.929 68.868 0.122 0.000 1.110 75 T HN 0.206 nan 8.240 nan 0.000 0.541 76 L N 0.949 122.162 121.223 -0.017 0.000 1.955 76 L HA 0.125 4.482 4.340 0.028 0.000 0.213 76 L C -0.101 176.497 176.870 -0.453 0.000 1.072 76 L CA 1.727 56.388 54.840 -0.298 0.000 0.755 76 L CB -0.360 41.440 42.059 -0.432 0.000 0.888 76 L HN 0.437 nan 8.230 nan 0.000 0.432 77 Y N 0.033 120.353 120.300 0.033 0.000 2.805 77 Y HA 0.413 4.980 4.550 0.028 0.000 0.339 77 Y C -2.184 173.762 175.900 0.077 0.000 1.012 77 Y CA -3.342 54.760 58.100 0.003 0.000 1.262 77 Y CB -0.125 38.264 38.460 -0.120 0.000 1.100 77 Y HN 0.133 nan 8.280 nan 0.000 0.559 78 P HA 0.168 nan 4.420 nan 0.000 0.267 78 P C 0.971 178.344 177.300 0.120 0.000 1.209 78 P CA 0.956 64.130 63.100 0.124 0.000 0.763 78 P CB 0.912 32.656 31.700 0.075 0.000 0.816 79 G N 2.415 111.275 108.800 0.100 0.000 2.176 79 G HA2 -0.277 3.700 3.960 0.028 0.000 0.253 79 G HA3 -0.277 3.700 3.960 0.028 0.000 0.253 79 G C -0.128 174.817 174.900 0.075 0.000 0.979 79 G CA -0.449 44.687 45.100 0.061 0.000 0.641 79 G HN 0.535 nan 8.290 nan 0.000 0.530 80 F N 2.134 122.053 119.950 -0.051 0.000 2.445 80 F HA 0.575 5.119 4.527 0.028 0.000 0.359 80 F C 1.349 177.052 175.800 -0.163 0.000 1.101 80 F CA -0.253 57.663 58.000 -0.140 0.000 1.177 80 F CB 1.040 39.932 39.000 -0.179 0.000 1.110 80 F HN 0.218 nan 8.300 nan 0.000 0.522 81 E N 3.704 123.439 120.200 -0.774 0.000 2.130 81 E HA -0.185 4.182 4.350 0.028 0.000 0.196 81 E C 2.109 178.225 176.600 -0.808 0.000 0.998 81 E CA 1.601 57.590 56.400 -0.684 0.000 0.806 81 E CB -0.310 29.055 29.700 -0.558 0.000 0.738 81 E HN 1.013 nan 8.360 nan 0.000 0.459 82 G N -0.644 107.200 108.800 -1.593 0.000 2.470 82 G HA2 -0.265 3.712 3.960 0.028 0.000 0.220 82 G HA3 -0.265 3.712 3.960 0.028 0.000 0.220 82 G C 1.559 176.535 174.900 0.127 0.000 1.121 82 G CA 1.498 46.048 45.100 -0.917 0.000 0.766 82 G HN 0.472 nan 8.290 nan 0.000 0.553 83 T N -2.878 111.758 114.554 0.137 0.000 2.999 83 T HA 0.166 4.533 4.350 0.028 0.000 0.247 83 T C 1.805 176.666 174.700 0.267 0.000 1.012 83 T CA 0.371 62.778 62.100 0.511 0.000 1.048 83 T CB 0.168 69.399 68.868 0.606 0.000 1.020 83 T HN 0.066 nan 8.240 nan 0.000 0.478 84 E N 2.334 122.563 120.200 0.049 0.000 2.204 84 E HA -0.049 4.318 4.350 0.028 0.000 0.194 84 E C 2.180 178.700 176.600 -0.133 0.000 0.989 84 E CA 1.162 57.548 56.400 -0.024 0.000 0.824 84 E CB -0.466 29.192 29.700 -0.071 0.000 0.756 84 E HN 0.802 nan 8.360 nan 0.000 0.477 85 M N -2.494 116.940 119.600 -0.276 0.000 2.460 85 M HA -0.045 4.452 4.480 0.028 0.000 0.263 85 M C 1.265 177.196 176.300 -0.614 0.000 1.071 85 M CA 1.317 56.311 55.300 -0.511 0.000 1.096 85 M CB -0.473 31.711 32.600 -0.693 0.000 1.408 85 M HN -0.013 nan 8.290 nan 0.000 0.463 86 W N 0.855 122.087 121.300 -0.113 0.000 2.996 86 W HA 0.283 4.959 4.660 0.027 0.000 0.270 86 W C 0.596 177.029 176.519 -0.143 0.000 1.280 86 W CA -0.859 56.399 57.345 -0.145 0.000 1.549 86 W CB -0.165 29.247 29.460 -0.080 0.000 1.079 86 W HN 0.098 nan 8.180 nan 0.000 0.629 87 N N 1.493 120.231 118.700 0.064 0.000 2.399 87 N HA 0.102 4.859 4.740 0.028 0.000 0.250 87 N C -2.406 173.060 175.510 -0.074 0.000 1.272 87 N CA -1.171 51.891 53.050 0.019 0.000 0.928 87 N CB -0.201 38.307 38.487 0.036 0.000 1.158 87 N HN -0.333 nan 8.380 nan 0.000 0.463 88 P HA 0.064 nan 4.420 nan 0.000 0.265 88 P C 0.293 177.515 177.300 -0.131 0.000 1.193 88 P CA -0.000 63.021 63.100 -0.132 0.000 0.765 88 P CB 0.337 31.957 31.700 -0.132 0.000 0.823 89 N N 2.430 121.034 118.700 -0.160 0.000 2.205 89 N HA 0.056 4.813 4.740 0.028 0.000 0.201 89 N C 0.222 175.664 175.510 -0.113 0.000 1.128 89 N CA 0.197 53.160 53.050 -0.144 0.000 0.867 89 N CB 0.339 38.717 38.487 -0.183 0.000 0.996 89 N HN 0.150 nan 8.380 nan 0.000 0.503 90 R N 0.358 120.790 120.500 -0.113 0.000 2.930 90 R HA 0.343 4.700 4.340 0.028 0.000 0.257 90 R C -0.154 176.091 176.300 -0.091 0.000 1.107 90 R CA -0.637 55.413 56.100 -0.082 0.000 0.999 90 R CB 0.718 30.980 30.300 -0.063 0.000 1.209 90 R HN 0.144 nan 8.270 nan 0.000 0.486 91 E N 1.618 121.772 120.200 -0.078 0.000 2.442 91 E HA 0.037 4.404 4.350 0.028 0.000 0.262 91 E C 0.043 176.583 176.600 -0.099 0.000 1.004 91 E CA 0.154 56.505 56.400 -0.081 0.000 0.928 91 E CB 0.534 30.198 29.700 -0.060 0.000 0.937 91 E HN 0.261 nan 8.360 nan 0.000 0.446 92 L N 1.780 122.920 121.223 -0.138 0.000 2.397 92 L HA 0.210 4.567 4.340 0.028 0.000 0.271 92 L C 0.676 177.523 176.870 -0.038 0.000 1.148 92 L CA 0.123 54.842 54.840 -0.201 0.000 0.825 92 L CB 0.806 42.549 42.059 -0.528 0.000 1.117 92 L HN 0.430 nan 8.230 nan 0.000 0.456 93 S N 0.658 116.372 115.700 0.023 0.000 2.556 93 S HA 0.148 4.635 4.470 0.028 0.000 0.280 93 S C 0.200 174.792 174.600 -0.013 0.000 1.141 93 S CA -0.680 57.558 58.200 0.064 0.000 0.883 93 S CB 1.417 64.624 63.200 0.011 0.000 1.103 93 S HN 0.749 nan 8.310 nan 0.000 0.453 94 E N 1.139 121.273 120.200 -0.108 0.000 2.268 94 E HA -0.092 4.275 4.350 0.028 0.000 0.195 94 E C -0.187 176.351 176.600 -0.102 0.000 0.995 94 E CA 0.590 56.865 56.400 -0.209 0.000 0.836 94 E CB 0.052 29.578 29.700 -0.291 0.000 0.763 94 E HN 0.558 nan 8.360 nan 0.000 0.491 95 D N 0.474 120.849 120.400 -0.040 0.000 2.470 95 D HA -0.014 4.643 4.640 0.028 0.000 0.226 95 D C 0.140 176.526 176.300 0.144 0.000 1.196 95 D CA -0.238 53.778 54.000 0.026 0.000 0.979 95 D CB -0.097 40.730 40.800 0.044 0.000 1.059 95 D HN 0.142 nan 8.370 nan 0.000 0.515 96 c N 2.270 120.933 118.600 0.104 0.000 4.015 96 c HA 0.350 4.936 4.570 0.028 0.000 0.323 96 c C 0.766 174.947 174.090 0.151 0.000 1.724 96 c CA -0.653 55.797 56.329 0.201 0.000 1.828 96 c CB -1.222 41.339 42.510 0.085 0.000 3.083 96 c HN 0.435 nan 8.230 nan 0.000 0.640 97 L N 2.421 123.478 121.223 -0.277 0.000 2.384 97 L HA 0.366 4.723 4.340 0.028 0.000 0.258 97 L C -0.877 175.373 176.870 -1.033 0.000 1.266 97 L CA 0.562 54.996 54.840 -0.676 0.000 1.162 97 L CB -0.873 40.636 42.059 -0.917 0.000 1.375 97 L HN 0.399 nan 8.230 nan 0.000 0.420 98 Y N 1.590 121.857 120.300 -0.056 0.000 2.570 98 Y HA 0.667 5.234 4.550 0.028 0.000 0.345 98 Y C -0.027 176.057 175.900 0.305 0.000 1.014 98 Y CA -1.251 56.896 58.100 0.078 0.000 1.063 98 Y CB 2.016 40.479 38.460 0.006 0.000 1.272 98 Y HN 0.174 nan 8.280 nan 0.000 0.477 99 L N -0.251 121.157 121.223 0.308 0.000 2.303 99 L HA 0.781 5.137 4.340 0.028 0.000 0.256 99 L C -1.422 175.457 176.870 0.015 0.000 1.034 99 L CA -1.241 53.672 54.840 0.122 0.000 0.832 99 L CB 1.870 43.842 42.059 -0.144 0.000 1.403 99 L HN 0.520 nan 8.230 nan 0.000 0.419 100 N N -0.030 118.675 118.700 0.009 0.000 2.225 100 N HA 0.695 5.452 4.740 0.028 0.000 0.298 100 N C -1.578 173.836 175.510 -0.161 0.000 1.076 100 N CA -0.415 52.547 53.050 -0.146 0.000 0.792 100 N CB 2.892 41.274 38.487 -0.176 0.000 1.498 100 N HN 0.501 nan 8.380 nan 0.000 0.474 101 V N 1.386 121.134 119.914 -0.276 0.000 2.540 101 V HA 0.489 4.626 4.120 0.028 0.000 0.302 101 V C -0.717 175.311 176.094 -0.111 0.000 1.035 101 V CA -0.730 61.503 62.300 -0.112 0.000 0.873 101 V CB 2.199 33.809 31.823 -0.356 0.000 0.992 101 V HN 0.551 nan 8.190 nan 0.000 0.428 102 W N 2.694 124.094 121.300 0.167 0.000 2.606 102 W HA 0.690 5.367 4.660 0.029 0.000 0.332 102 W C 0.154 176.790 176.519 0.194 0.000 1.052 102 W CA -0.442 57.002 57.345 0.166 0.000 1.223 102 W CB 2.439 31.971 29.460 0.120 0.000 1.383 102 W HN 0.654 nan 8.180 nan 0.000 0.524 103 T N -0.079 114.735 114.554 0.434 0.000 2.883 103 T HA 0.514 4.881 4.350 0.028 0.000 0.296 103 T C -2.833 172.039 174.700 0.288 0.000 1.117 103 T CA -2.417 59.893 62.100 0.350 0.000 1.006 103 T CB 2.129 71.230 68.868 0.388 0.000 1.191 103 T HN -0.091 nan 8.240 nan 0.000 0.508 104 P HA 0.144 nan 4.420 nan 0.000 0.267 104 P C -1.540 175.896 177.300 0.226 0.000 1.201 104 P CA 0.046 63.260 63.100 0.191 0.000 0.775 104 P CB 0.005 31.789 31.700 0.139 0.000 0.854 105 Y N 3.622 123.973 120.300 0.085 0.000 2.326 105 Y HA 0.395 4.962 4.550 0.028 0.000 0.331 105 Y C -2.035 173.898 175.900 0.054 0.000 0.962 105 Y CA -2.456 55.685 58.100 0.070 0.000 1.167 105 Y CB 1.085 39.572 38.460 0.045 0.000 1.148 105 Y HN 0.339 nan 8.280 nan 0.000 0.463 106 P HA 0.181 nan 4.420 nan 0.000 0.272 106 P C -0.827 176.421 177.300 -0.086 0.000 1.240 106 P CA -0.354 62.537 63.100 -0.349 0.000 0.791 106 P CB 0.992 32.538 31.700 -0.256 0.000 0.978 107 R N 1.057 121.519 120.500 -0.062 0.000 2.585 107 R HA 0.115 4.472 4.340 0.028 0.000 0.275 107 R C -1.851 174.475 176.300 0.043 0.000 1.018 107 R CA -0.969 55.167 56.100 0.060 0.000 1.072 107 R CB -0.956 29.393 30.300 0.083 0.000 0.953 107 R HN 0.423 nan 8.270 nan 0.000 0.419 108 P HA -0.094 nan 4.420 nan 0.000 0.264 108 P C -0.033 177.286 177.300 0.033 0.000 1.183 108 P CA 0.382 63.516 63.100 0.056 0.000 0.763 108 P CB 0.686 32.430 31.700 0.074 0.000 0.807 109 A N 2.873 125.706 122.820 0.021 0.000 1.872 109 A HA -0.004 4.333 4.320 0.028 0.000 0.214 109 A C 1.020 178.610 177.584 0.010 0.000 1.187 109 A CA 1.594 53.637 52.037 0.009 0.000 0.614 109 A CB -0.833 18.171 19.000 0.006 0.000 0.826 109 A HN 0.633 nan 8.150 nan 0.000 0.442 110 S N -0.804 114.905 115.700 0.014 0.000 2.638 110 S HA 0.613 5.100 4.470 0.028 0.000 0.298 110 S C -3.064 171.547 174.600 0.019 0.000 1.111 110 S CA -1.840 56.367 58.200 0.011 0.000 1.027 110 S CB 0.920 64.124 63.200 0.006 0.000 1.064 110 S HN 0.033 nan 8.310 nan 0.000 0.525 111 P HA 0.143 nan 4.420 nan 0.000 0.260 111 P C -0.629 176.685 177.300 0.023 0.000 1.172 111 P CA 0.450 63.562 63.100 0.020 0.000 0.760 111 P CB 0.041 31.744 31.700 0.005 0.000 0.773 112 T N 5.684 120.263 114.554 0.042 0.000 2.824 112 T HA 0.407 4.774 4.350 0.028 0.000 0.280 112 T C -2.374 172.350 174.700 0.040 0.000 0.995 112 T CA -1.796 60.330 62.100 0.043 0.000 1.009 112 T CB 0.912 69.821 68.868 0.069 0.000 0.955 112 T HN 0.140 nan 8.240 nan 0.000 0.452 113 P HA 0.118 nan 4.420 nan 0.000 0.266 113 P C -0.967 176.364 177.300 0.050 0.000 1.193 113 P CA -0.181 62.927 63.100 0.013 0.000 0.770 113 P CB 0.392 32.083 31.700 -0.015 0.000 0.836 114 V N 4.545 124.502 119.914 0.071 0.000 2.417 114 V HA 0.268 4.405 4.120 0.028 0.000 0.291 114 V C 0.108 176.272 176.094 0.116 0.000 1.024 114 V CA -0.546 61.822 62.300 0.113 0.000 0.861 114 V CB 1.227 33.133 31.823 0.139 0.000 0.985 114 V HN 0.288 nan 8.190 nan 0.000 0.436 115 L N 6.068 127.365 121.223 0.124 0.000 2.295 115 L HA 0.569 4.925 4.340 0.028 0.000 0.285 115 L C -0.236 176.839 176.870 0.341 0.000 1.035 115 L CA 0.125 55.044 54.840 0.132 0.000 0.806 115 L CB 1.376 43.377 42.059 -0.096 0.000 1.214 115 L HN 0.467 nan 8.230 nan 0.000 0.426 116 I N 2.786 123.610 120.570 0.423 0.000 2.382 116 I HA 0.209 4.396 4.170 0.028 0.000 0.286 116 I C -0.734 175.727 176.117 0.573 0.000 1.002 116 I CA -0.485 61.071 61.300 0.426 0.000 1.135 116 I CB 1.121 39.247 38.000 0.209 0.000 1.288 116 I HN 0.634 nan 8.210 nan 0.000 0.448 117 W N 8.443 129.938 121.300 0.326 0.000 2.316 117 W HA 0.583 5.260 4.660 0.027 0.000 0.321 117 W C -1.495 174.971 176.519 -0.089 0.000 1.203 117 W CA -0.549 56.752 57.345 -0.073 0.000 1.214 117 W CB 1.133 30.558 29.460 -0.059 0.000 1.169 117 W HN 0.335 nan 8.180 nan 0.000 0.561 118 I N 8.597 128.505 120.570 -1.104 0.000 2.439 118 I HA 0.079 4.266 4.170 0.028 0.000 0.283 118 I C -0.343 174.972 176.117 -1.337 0.000 1.023 118 I CA -1.132 59.596 61.300 -0.953 0.000 1.100 118 I CB 0.882 38.520 38.000 -0.603 0.000 1.238 118 I HN 0.309 nan 8.210 nan 0.000 0.445 119 Y N 4.545 124.413 120.300 -0.721 0.000 2.426 119 Y HA 0.676 5.243 4.550 0.028 0.000 0.344 119 Y C 0.762 176.527 175.900 -0.225 0.000 1.256 119 Y CA -0.723 57.097 58.100 -0.467 0.000 1.451 119 Y CB -0.058 38.370 38.460 -0.053 0.000 1.342 119 Y HN 0.531 nan 8.280 nan 0.000 0.600 120 G N -0.955 107.903 108.800 0.097 0.000 2.583 120 G HA2 0.491 4.468 3.960 0.028 0.000 0.280 120 G HA3 0.491 4.468 3.960 0.028 0.000 0.280 120 G C 0.306 175.205 174.900 -0.002 0.000 1.376 120 G CA -0.933 44.149 45.100 -0.031 0.000 1.043 120 G HN 1.728 nan 8.290 nan 0.000 0.538 121 G N -2.899 105.746 108.800 -0.258 0.000 2.165 121 G HA2 0.401 4.378 3.960 0.028 0.000 0.144 121 G HA3 0.401 4.378 3.960 0.028 0.000 0.144 121 G C 1.036 175.546 174.900 -0.650 0.000 1.049 121 G CA 0.736 45.576 45.100 -0.433 0.000 0.741 121 G HN 2.361 nan 8.290 nan 0.000 0.493 122 G N -0.475 107.907 108.800 -0.697 0.000 2.179 122 G HA2 -0.103 3.874 3.960 0.028 0.000 0.257 122 G HA3 -0.103 3.874 3.960 0.028 0.000 0.257 122 G C 0.857 175.556 174.900 -0.335 0.000 1.010 122 G CA 0.637 45.062 45.100 -1.125 0.000 0.736 122 G HN 1.747 nan 8.290 nan 0.000 0.513 123 F N -3.135 116.770 119.950 -0.076 0.000 2.973 123 F HA -0.323 4.221 4.527 0.028 0.000 0.299 123 F C 1.448 177.435 175.800 0.312 0.000 0.737 123 F CA 2.288 60.363 58.000 0.124 0.000 1.151 123 F CB -2.068 36.821 39.000 -0.185 0.000 1.440 123 F HN 0.962 nan 8.300 nan 0.000 0.367 124 Y N -1.389 119.067 120.300 0.260 0.000 2.432 124 Y HA 0.615 5.181 4.550 0.028 0.000 0.252 124 Y C 0.637 176.698 175.900 0.269 0.000 1.097 124 Y CA 0.399 58.686 58.100 0.313 0.000 1.250 124 Y CB 0.076 38.742 38.460 0.344 0.000 1.245 124 Y HN 0.053 nan 8.280 nan 0.000 0.522 125 S N -0.640 114.814 115.700 -0.411 0.000 2.752 125 S HA 0.885 5.372 4.470 0.028 0.000 0.284 125 S C -0.091 174.350 174.600 -0.265 0.000 1.189 125 S CA -0.576 57.419 58.200 -0.342 0.000 0.835 125 S CB 1.459 64.319 63.200 -0.566 0.000 1.192 125 S HN 1.346 nan 8.310 nan 0.000 0.506 126 G N -0.794 107.809 108.800 -0.328 0.000 2.515 126 G HA2 0.527 4.504 3.960 0.028 0.000 0.686 126 G HA3 0.527 4.504 3.960 0.028 0.000 0.686 126 G C -0.683 173.556 174.900 -1.101 0.000 1.274 126 G CA -0.205 44.534 45.100 -0.603 0.000 0.874 126 G HN 2.109 nan 8.290 nan 0.000 0.631 127 A N -0.756 121.317 122.820 -1.245 0.000 2.589 127 A HA 1.010 5.347 4.320 0.028 0.000 0.296 127 A C 0.618 178.013 177.584 -0.316 0.000 1.062 127 A CA 0.525 52.078 52.037 -0.807 0.000 0.686 127 A CB 1.125 19.903 19.000 -0.370 0.000 1.282 127 A HN 2.588 nan 8.150 nan 0.000 0.404 128 A N 0.520 123.412 122.820 0.121 0.000 2.235 128 A HA 0.267 4.603 4.320 0.028 0.000 0.208 128 A C 1.539 179.215 177.584 0.153 0.000 1.172 128 A CA 1.649 53.941 52.037 0.424 0.000 0.786 128 A CB -0.552 18.750 19.000 0.504 0.000 0.804 128 A HN 1.731 nan 8.150 nan 0.000 0.479 129 S N -0.784 114.775 115.700 -0.236 0.000 2.540 129 S HA 0.384 4.871 4.470 0.028 0.000 0.218 129 S C 0.423 174.577 174.600 -0.743 0.000 0.977 129 S CA -0.495 57.128 58.200 -0.963 0.000 0.918 129 S CB -0.467 62.123 63.200 -1.017 0.000 0.806 129 S HN 0.360 nan 8.310 nan 0.000 0.496 130 L N 1.954 122.905 121.223 -0.453 0.000 2.464 130 L HA 0.229 4.586 4.340 0.028 0.000 0.264 130 L C 1.176 177.718 176.870 -0.548 0.000 1.199 130 L CA -0.538 53.970 54.840 -0.553 0.000 0.818 130 L CB 0.252 41.846 42.059 -0.774 0.000 1.102 130 L HN 0.064 nan 8.230 nan 0.000 0.473 131 D N 0.687 120.797 120.400 -0.483 0.000 2.117 131 D HA -0.137 4.519 4.640 0.028 0.000 0.197 131 D C 2.034 178.056 176.300 -0.464 0.000 0.987 131 D CA 1.343 55.125 54.000 -0.364 0.000 0.829 131 D CB -0.110 40.520 40.800 -0.283 0.000 0.961 131 D HN 0.506 nan 8.370 nan 0.000 0.460 132 V N -1.039 118.463 119.914 -0.687 0.000 3.026 132 V HA -0.192 3.945 4.120 0.028 0.000 0.265 132 V C 1.043 176.610 176.094 -0.878 0.000 1.121 132 V CA 1.168 63.042 62.300 -0.710 0.000 1.142 132 V CB -1.212 30.152 31.823 -0.766 0.000 0.730 132 V HN 0.080 nan 8.190 nan 0.000 0.503 133 Y N 0.150 119.901 120.300 -0.916 0.000 2.658 133 Y HA 0.483 5.049 4.550 0.028 0.000 0.276 133 Y C 0.688 175.947 175.900 -1.069 0.000 1.167 133 Y CA -2.088 55.084 58.100 -1.546 0.000 1.230 133 Y CB -0.841 37.066 38.460 -0.921 0.000 1.144 133 Y HN 0.281 nan 8.280 nan 0.000 0.529 134 D N 0.472 120.555 120.400 -0.527 0.000 2.382 134 D HA 0.117 4.774 4.640 0.028 0.000 0.259 134 D C 1.451 177.436 176.300 -0.524 0.000 1.224 134 D CA 0.421 54.194 54.000 -0.378 0.000 0.894 134 D CB 1.238 41.960 40.800 -0.130 0.000 1.127 134 D HN 0.439 nan 8.370 nan 0.000 0.487 135 G N 3.865 111.775 108.800 -1.484 0.000 2.920 135 G HA2 -0.168 3.809 3.960 0.028 0.000 0.208 135 G HA3 -0.168 3.809 3.960 0.028 0.000 0.208 135 G C 1.422 175.754 174.900 -0.947 0.000 1.159 135 G CA 0.319 44.701 45.100 -1.196 0.000 0.784 135 G HN 0.618 nan 8.290 nan 0.000 0.535 136 R N -0.604 119.279 120.500 -1.027 0.000 2.096 136 R HA -0.006 4.351 4.340 0.028 0.000 0.235 136 R C 1.721 177.738 176.300 -0.472 0.000 1.127 136 R CA 1.231 56.954 56.100 -0.628 0.000 0.968 136 R CB -0.647 29.304 30.300 -0.581 0.000 0.861 136 R HN 0.289 nan 8.270 nan 0.000 0.440 137 F N 1.549 121.411 119.950 -0.147 0.000 2.084 137 F HA -0.011 4.533 4.527 0.029 0.000 0.296 137 F C 2.322 178.071 175.800 -0.085 0.000 1.111 137 F CA 0.951 58.892 58.000 -0.099 0.000 1.224 137 F CB -0.658 38.275 39.000 -0.112 0.000 0.991 137 F HN -0.114 nan 8.300 nan 0.000 0.471 138 L N -0.264 120.998 121.223 0.064 0.000 2.083 138 L HA -0.214 4.143 4.340 0.028 0.000 0.209 138 L C 2.658 179.543 176.870 0.025 0.000 1.083 138 L CA 1.103 55.945 54.840 0.004 0.000 0.752 138 L CB -0.855 41.164 42.059 -0.066 0.000 0.899 138 L HN 0.201 nan 8.230 nan 0.000 0.433 139 A N -1.083 121.754 122.820 0.028 0.000 1.872 139 A HA -0.215 4.122 4.320 0.028 0.000 0.214 139 A C 2.272 179.904 177.584 0.080 0.000 1.187 139 A CA 1.336 53.427 52.037 0.090 0.000 0.614 139 A CB -0.435 18.665 19.000 0.166 0.000 0.826 139 A HN 0.376 nan 8.150 nan 0.000 0.442 140 Q N -0.030 119.800 119.800 0.049 0.000 2.020 140 Q HA -0.085 4.272 4.340 0.028 0.000 0.198 140 Q C 2.207 178.242 176.000 0.059 0.000 0.974 140 Q CA 2.058 57.895 55.803 0.056 0.000 0.829 140 Q CB -0.285 28.470 28.738 0.028 0.000 0.894 140 Q HN 0.394 nan 8.270 nan 0.000 0.433 141 V N 1.432 121.381 119.914 0.059 0.000 2.323 141 V HA -0.153 3.984 4.120 0.028 0.000 0.244 141 V C 2.081 178.196 176.094 0.035 0.000 1.041 141 V CA 1.755 64.084 62.300 0.048 0.000 1.025 141 V CB -0.303 31.549 31.823 0.048 0.000 0.656 141 V HN 0.269 nan 8.190 nan 0.000 0.451 142 E N -0.255 119.965 120.200 0.032 0.000 2.400 142 E HA 0.145 4.512 4.350 0.028 0.000 0.195 142 E C 1.748 178.370 176.600 0.036 0.000 1.012 142 E CA 0.833 57.248 56.400 0.025 0.000 0.875 142 E CB 0.267 29.975 29.700 0.012 0.000 0.859 142 E HN 0.637 nan 8.360 nan 0.000 0.498 143 G N 1.380 110.212 108.800 0.052 0.000 2.149 143 G HA2 -0.260 3.717 3.960 0.028 0.000 0.235 143 G HA3 -0.260 3.717 3.960 0.028 0.000 0.235 143 G C 0.386 175.332 174.900 0.076 0.000 1.018 143 G CA 0.319 45.459 45.100 0.067 0.000 0.728 143 G HN 0.488 nan 8.290 nan 0.000 0.508 144 A N -0.733 122.133 122.820 0.077 0.000 2.302 144 A HA 0.780 5.116 4.320 0.028 0.000 0.285 144 A C 0.441 178.107 177.584 0.138 0.000 1.105 144 A CA -0.126 51.962 52.037 0.084 0.000 0.816 144 A CB 1.425 20.456 19.000 0.053 0.000 1.067 144 A HN 1.123 nan 8.150 nan 0.000 0.489 145 V N 2.576 122.578 119.914 0.147 0.000 2.385 145 V HA 0.345 4.482 4.120 0.028 0.000 0.269 145 V C -0.190 176.035 176.094 0.219 0.000 1.043 145 V CA -0.004 62.413 62.300 0.196 0.000 0.906 145 V CB 0.638 32.567 31.823 0.176 0.000 0.995 145 V HN 0.699 nan 8.190 nan 0.000 0.467 146 L N 6.562 127.971 121.223 0.309 0.000 2.356 146 L HA 0.751 5.108 4.340 0.028 0.000 0.277 146 L C -0.906 176.262 176.870 0.497 0.000 0.996 146 L CA -0.266 54.805 54.840 0.384 0.000 0.822 146 L CB 1.849 44.125 42.059 0.362 0.000 1.256 146 L HN 0.429 nan 8.230 nan 0.000 0.413 147 V N 3.212 123.395 119.914 0.450 0.000 2.588 147 V HA 0.680 4.817 4.120 0.028 0.000 0.304 147 V C -0.393 175.975 176.094 0.456 0.000 1.042 147 V CA -0.457 62.071 62.300 0.380 0.000 0.877 147 V CB 1.951 33.913 31.823 0.232 0.000 0.996 147 V HN 0.840 nan 8.190 nan 0.000 0.425 148 S N 5.362 121.336 115.700 0.458 0.000 2.542 148 S HA 0.894 5.381 4.470 0.028 0.000 0.293 148 S C -0.746 174.028 174.600 0.290 0.000 1.089 148 S CA -0.813 57.655 58.200 0.447 0.000 0.961 148 S CB 2.282 65.873 63.200 0.651 0.000 1.062 148 S HN 0.863 nan 8.310 nan 0.000 0.483 149 M N 1.407 121.140 119.600 0.221 0.000 2.602 149 M HA 0.631 5.128 4.480 0.028 0.000 0.312 149 M C -1.688 174.830 176.300 0.364 0.000 1.181 149 M CA -0.561 54.854 55.300 0.190 0.000 0.910 149 M CB 1.204 33.753 32.600 -0.085 0.000 1.723 149 M HN 0.545 nan 8.290 nan 0.000 0.459 150 N N 2.835 121.810 118.700 0.458 0.000 2.514 150 N HA 0.514 5.271 4.740 0.028 0.000 0.277 150 N C -1.401 174.384 175.510 0.459 0.000 1.126 150 N CA 0.104 53.440 53.050 0.477 0.000 0.978 150 N CB 0.486 39.196 38.487 0.372 0.000 1.106 150 N HN 0.700 nan 8.380 nan 0.000 0.461 151 Y N -1.353 119.115 120.300 0.279 0.000 2.536 151 Y HA 0.587 5.154 4.550 0.028 0.000 0.347 151 Y C 0.088 176.126 175.900 0.229 0.000 1.000 151 Y CA -1.349 56.874 58.100 0.205 0.000 1.051 151 Y CB 0.934 39.447 38.460 0.088 0.000 1.259 151 Y HN 0.191 nan 8.280 nan 0.000 0.468 152 R N 1.774 122.412 120.500 0.231 0.000 2.590 152 R HA 0.495 4.852 4.340 0.028 0.000 0.274 152 R C -0.385 176.053 176.300 0.231 0.000 1.061 152 R CA -0.230 55.960 56.100 0.150 0.000 1.081 152 R CB 0.907 31.266 30.300 0.098 0.000 0.984 152 R HN 0.736 nan 8.270 nan 0.000 0.448 153 V N -0.298 119.797 119.914 0.300 0.000 3.158 153 V HA 0.864 5.001 4.120 0.028 0.000 0.315 153 V C 0.768 177.188 176.094 0.542 0.000 1.148 153 V CA -0.163 62.437 62.300 0.500 0.000 1.042 153 V CB 1.168 33.205 31.823 0.356 0.000 1.101 153 V HN 0.965 nan 8.190 nan 0.000 0.448 154 G N 1.872 111.042 108.800 0.616 0.000 2.582 154 G HA2 -0.318 3.659 3.960 0.028 0.000 0.288 154 G HA3 -0.318 3.659 3.960 0.028 0.000 0.288 154 G C 1.069 176.087 174.900 0.197 0.000 1.247 154 G CA 1.717 47.088 45.100 0.452 0.000 0.972 154 G HN 2.350 nan 8.290 nan 0.000 0.557 155 T N -1.759 112.631 114.554 -0.274 0.000 2.720 155 T HA -0.106 4.260 4.350 0.028 0.000 0.268 155 T C 2.148 176.688 174.700 -0.267 0.000 1.037 155 T CA 2.587 64.287 62.100 -0.667 0.000 1.144 155 T CB -0.434 67.896 68.868 -0.897 0.000 0.864 155 T HN 0.582 nan 8.240 nan 0.000 0.444 156 F N 2.151 122.151 119.950 0.083 0.000 2.269 156 F HA 0.219 4.762 4.527 0.028 0.000 0.301 156 F C 2.665 178.459 175.800 -0.010 0.000 1.082 156 F CA 0.751 58.763 58.000 0.020 0.000 1.360 156 F CB -0.811 38.169 39.000 -0.034 0.000 1.041 156 F HN 0.396 nan 8.300 nan 0.000 0.512 157 G N -2.130 106.727 108.800 0.094 0.000 2.709 157 G HA2 0.056 4.033 3.960 0.028 0.000 0.208 157 G HA3 0.056 4.033 3.960 0.028 0.000 0.208 157 G C 0.815 175.242 174.900 -0.788 0.000 1.129 157 G CA 0.168 45.051 45.100 -0.360 0.000 0.793 157 G HN 0.345 nan 8.290 nan 0.000 0.524 158 F N -0.470 119.573 119.950 0.155 0.000 2.899 158 F HA 0.434 4.978 4.527 0.029 0.000 0.337 158 F C 0.343 176.232 175.800 0.147 0.000 1.129 158 F CA -0.930 57.144 58.000 0.123 0.000 1.128 158 F CB 0.359 39.436 39.000 0.129 0.000 1.154 158 F HN -0.089 nan 8.300 nan 0.000 0.531 159 L N 2.217 123.506 121.223 0.109 0.000 2.462 159 L HA 0.581 4.938 4.340 0.028 0.000 0.272 159 L C -0.032 176.813 176.870 -0.042 0.000 1.166 159 L CA -0.012 54.801 54.840 -0.046 0.000 0.880 159 L CB 0.524 42.251 42.059 -0.553 0.000 1.142 159 L HN 0.137 nan 8.230 nan 0.000 0.473 160 A N 6.435 129.270 122.820 0.024 0.000 2.374 160 A HA 0.639 4.976 4.320 0.028 0.000 0.305 160 A C -1.065 176.499 177.584 -0.034 0.000 1.053 160 A CA -0.587 51.446 52.037 -0.007 0.000 0.726 160 A CB 1.255 20.281 19.000 0.043 0.000 1.229 160 A HN 0.717 nan 8.150 nan 0.000 0.431 161 L N 3.510 124.697 121.223 -0.059 0.000 2.371 161 L HA 0.312 4.669 4.340 0.028 0.000 0.262 161 L C -2.440 174.419 176.870 -0.019 0.000 1.054 161 L CA -1.836 52.978 54.840 -0.043 0.000 0.924 161 L CB 1.390 43.410 42.059 -0.064 0.000 1.295 161 L HN 0.412 nan 8.230 nan 0.000 0.441 162 P HA 0.061 nan 4.420 nan 0.000 0.264 162 P C 0.946 178.248 177.300 0.003 0.000 1.193 162 P CA 0.740 63.842 63.100 0.003 0.000 0.763 162 P CB 0.941 32.643 31.700 0.004 0.000 0.810 163 G N 1.789 110.595 108.800 0.010 0.000 2.217 163 G HA2 -0.241 3.736 3.960 0.028 0.000 0.246 163 G HA3 -0.241 3.736 3.960 0.028 0.000 0.246 163 G C 0.430 175.335 174.900 0.009 0.000 0.990 163 G CA 0.257 45.362 45.100 0.010 0.000 0.627 163 G HN 0.785 nan 8.290 nan 0.000 0.522 164 S N -0.457 115.247 115.700 0.006 0.000 2.614 164 S HA 0.625 5.111 4.470 0.028 0.000 0.265 164 S C 1.155 175.764 174.600 0.016 0.000 1.303 164 S CA 0.325 58.529 58.200 0.006 0.000 1.000 164 S CB 1.933 65.131 63.200 -0.005 0.000 0.935 164 S HN 0.376 nan 8.310 nan 0.000 0.551 165 R N -0.121 120.390 120.500 0.019 0.000 2.173 165 R HA 0.078 4.435 4.340 0.028 0.000 0.208 165 R C 1.103 177.425 176.300 0.037 0.000 1.035 165 R CA 0.869 56.986 56.100 0.027 0.000 1.004 165 R CB -0.082 30.233 30.300 0.025 0.000 0.917 165 R HN 0.779 nan 8.270 nan 0.000 0.462 166 E N -0.840 119.381 120.200 0.036 0.000 2.364 166 E HA 0.145 4.512 4.350 0.028 0.000 0.196 166 E C -0.276 176.371 176.600 0.079 0.000 0.990 166 E CA 0.438 56.873 56.400 0.058 0.000 0.886 166 E CB 1.199 30.933 29.700 0.056 0.000 0.866 166 E HN 0.165 nan 8.360 nan 0.000 0.493 167 A N 1.257 124.096 122.820 0.031 0.000 3.127 167 A HA 0.309 4.646 4.320 0.028 0.000 0.319 167 A C -2.226 175.361 177.584 0.005 0.000 1.104 167 A CA -1.019 51.024 52.037 0.009 0.000 0.802 167 A CB 0.496 19.413 19.000 -0.139 0.000 1.193 167 A HN -0.085 nan 8.150 nan 0.000 0.479 168 P HA 0.182 nan 4.420 nan 0.000 0.245 168 P C 0.880 178.202 177.300 0.036 0.000 1.212 168 P CA 1.482 64.602 63.100 0.035 0.000 0.774 168 P CB 0.148 31.878 31.700 0.049 0.000 0.999 169 G N 1.237 110.058 108.800 0.034 0.000 2.781 169 G HA2 -0.220 3.757 3.960 0.028 0.000 0.683 169 G HA3 -0.220 3.757 3.960 0.028 0.000 0.683 169 G C 0.034 174.948 174.900 0.024 0.000 1.390 169 G CA -0.275 44.853 45.100 0.045 0.000 0.850 169 G HN 0.146 nan 8.290 nan 0.000 0.557 170 N N -2.468 116.253 118.700 0.035 0.000 2.732 170 N HA -0.303 4.454 4.740 0.028 0.000 0.250 170 N C 1.952 177.359 175.510 -0.173 0.000 1.097 170 N CA 2.511 55.525 53.050 -0.061 0.000 0.812 170 N CB -1.657 36.709 38.487 -0.202 0.000 1.148 170 N HN 1.940 nan 8.380 nan 0.000 0.572 171 V N -2.390 117.423 119.914 -0.169 0.000 2.594 171 V HA -0.044 4.093 4.120 0.028 0.000 0.253 171 V C 2.310 178.301 176.094 -0.171 0.000 1.069 171 V CA 2.372 64.603 62.300 -0.114 0.000 1.082 171 V CB -0.982 30.818 31.823 -0.039 0.000 0.680 171 V HN 0.281 nan 8.190 nan 0.000 0.469 172 G N 0.235 108.747 108.800 -0.478 0.000 2.448 172 G HA2 -0.112 3.865 3.960 0.028 0.000 0.219 172 G HA3 -0.112 3.865 3.960 0.028 0.000 0.219 172 G C 1.519 176.403 174.900 -0.027 0.000 1.127 172 G CA 1.107 46.026 45.100 -0.302 0.000 0.766 172 G HN 0.556 nan 8.290 nan 0.000 0.552 173 L N -0.226 120.941 121.223 -0.094 0.000 2.131 173 L HA 0.142 4.498 4.340 0.028 0.000 0.206 173 L C 2.777 179.682 176.870 0.059 0.000 1.087 173 L CA 0.206 54.962 54.840 -0.139 0.000 0.767 173 L CB -0.305 41.354 42.059 -0.666 0.000 0.917 173 L HN 0.152 nan 8.230 nan 0.000 0.441 174 L N -0.310 120.955 121.223 0.069 0.000 2.079 174 L HA -0.242 4.114 4.340 0.028 0.000 0.210 174 L C 2.206 179.207 176.870 0.217 0.000 1.081 174 L CA 1.038 56.007 54.840 0.216 0.000 0.752 174 L CB -0.733 41.429 42.059 0.172 0.000 0.896 174 L HN 0.295 nan 8.230 nan 0.000 0.433 175 D N 0.003 120.521 120.400 0.196 0.000 2.104 175 D HA -0.215 4.442 4.640 0.028 0.000 0.194 175 D C 2.308 178.764 176.300 0.260 0.000 0.994 175 D CA 1.289 55.479 54.000 0.317 0.000 0.830 175 D CB -0.237 40.764 40.800 0.337 0.000 0.959 175 D HN 0.441 nan 8.370 nan 0.000 0.452 176 Q N 0.079 119.970 119.800 0.152 0.000 2.084 176 Q HA -0.105 4.252 4.340 0.028 0.000 0.202 176 Q C 2.299 178.301 176.000 0.005 0.000 0.978 176 Q CA 0.962 56.776 55.803 0.019 0.000 0.844 176 Q CB -0.065 28.679 28.738 0.011 0.000 0.898 176 Q HN 0.180 nan 8.270 nan 0.000 0.426 177 R N 0.525 121.141 120.500 0.193 0.000 2.091 177 R HA -0.177 4.180 4.340 0.028 0.000 0.238 177 R C 2.182 178.550 176.300 0.114 0.000 1.136 177 R CA 1.087 57.295 56.100 0.180 0.000 0.959 177 R CB -0.239 30.268 30.300 0.345 0.000 0.856 177 R HN 0.214 nan 8.270 nan 0.000 0.437 178 L N 0.424 121.740 121.223 0.156 0.000 2.083 178 L HA -0.030 4.327 4.340 0.028 0.000 0.209 178 L C 2.152 179.068 176.870 0.077 0.000 1.083 178 L CA 2.050 57.003 54.840 0.189 0.000 0.752 178 L CB -0.565 41.689 42.059 0.324 0.000 0.899 178 L HN 0.237 nan 8.230 nan 0.000 0.433 179 A N -1.049 121.620 122.820 -0.251 0.000 1.969 179 A HA -0.126 4.210 4.320 0.028 0.000 0.218 179 A C 2.074 179.598 177.584 -0.099 0.000 1.169 179 A CA 1.582 53.290 52.037 -0.548 0.000 0.635 179 A CB -0.664 17.754 19.000 -0.970 0.000 0.810 179 A HN 0.407 nan 8.150 nan 0.000 0.445 180 L N 0.034 121.223 121.223 -0.056 0.000 2.056 180 L HA -0.181 4.176 4.340 0.028 0.000 0.207 180 L C 2.707 179.634 176.870 0.094 0.000 1.078 180 L CA 1.921 56.771 54.840 0.017 0.000 0.749 180 L CB -0.994 41.039 42.059 -0.043 0.000 0.901 180 L HN 0.499 nan 8.230 nan 0.000 0.433 181 Q N -2.322 117.545 119.800 0.111 0.000 2.119 181 Q HA -0.267 4.090 4.340 0.028 0.000 0.201 181 Q C 2.164 178.257 176.000 0.156 0.000 0.972 181 Q CA 1.753 57.628 55.803 0.121 0.000 0.847 181 Q CB -0.513 28.301 28.738 0.126 0.000 0.903 181 Q HN 0.584 nan 8.270 nan 0.000 0.433 182 W N 1.399 122.719 121.300 0.034 0.000 2.335 182 W HA -0.245 4.432 4.660 0.028 0.000 0.311 182 W C 2.002 178.556 176.519 0.059 0.000 1.213 182 W CA 1.577 58.960 57.345 0.062 0.000 1.274 182 W CB -0.166 29.333 29.460 0.066 0.000 1.148 182 W HN -0.159 nan 8.180 nan 0.000 0.498 183 V N 0.809 120.931 119.914 0.347 0.000 2.287 183 V HA -0.363 3.773 4.120 0.028 0.000 0.248 183 V C 2.553 178.675 176.094 0.045 0.000 1.053 183 V CA 2.127 64.552 62.300 0.209 0.000 1.027 183 V CB -1.078 30.878 31.823 0.221 0.000 0.646 183 V HN 0.232 nan 8.190 nan 0.000 0.447 184 Q N 0.005 119.836 119.800 0.052 0.000 2.061 184 Q HA -0.228 4.129 4.340 0.028 0.000 0.204 184 Q C 2.229 178.205 176.000 -0.040 0.000 0.984 184 Q CA 1.914 57.732 55.803 0.024 0.000 0.846 184 Q CB -0.303 28.456 28.738 0.036 0.000 0.902 184 Q HN 0.755 nan 8.270 nan 0.000 0.421 185 E N -0.273 119.868 120.200 -0.098 0.000 2.216 185 E HA -0.038 4.329 4.350 0.028 0.000 0.192 185 E C 1.406 177.854 176.600 -0.253 0.000 0.988 185 E CA 0.517 56.823 56.400 -0.157 0.000 0.834 185 E CB 0.143 29.745 29.700 -0.162 0.000 0.772 185 E HN 0.354 nan 8.360 nan 0.000 0.479 186 N N 0.169 118.628 118.700 -0.402 0.000 2.382 186 N HA 0.020 4.777 4.740 0.028 0.000 0.200 186 N C 1.665 177.069 175.510 -0.178 0.000 1.122 186 N CA 0.054 52.808 53.050 -0.494 0.000 0.870 186 N CB 0.387 38.124 38.487 -1.251 0.000 1.176 186 N HN 0.028 nan 8.380 nan 0.000 0.474 187 I N 2.593 123.120 120.570 -0.071 0.000 2.361 187 I HA -0.131 4.056 4.170 0.028 0.000 0.251 187 I C 2.190 178.416 176.117 0.183 0.000 1.133 187 I CA 0.600 61.989 61.300 0.148 0.000 1.413 187 I CB -0.384 37.688 38.000 0.120 0.000 1.073 187 I HN 0.053 nan 8.210 nan 0.000 0.424 188 A N 0.314 123.170 122.820 0.061 0.000 1.978 188 A HA -0.185 4.152 4.320 0.028 0.000 0.220 188 A C 2.505 180.092 177.584 0.005 0.000 1.170 188 A CA 1.772 53.828 52.037 0.033 0.000 0.636 188 A CB -1.184 17.811 19.000 -0.009 0.000 0.810 188 A HN 0.491 nan 8.150 nan 0.000 0.448 189 A N -1.402 121.384 122.820 -0.057 0.000 2.024 189 A HA -0.026 4.311 4.320 0.028 0.000 0.220 189 A C 1.665 179.055 177.584 -0.325 0.000 1.164 189 A CA 1.445 53.347 52.037 -0.225 0.000 0.643 189 A CB -0.690 18.089 19.000 -0.370 0.000 0.806 189 A HN 0.522 nan 8.150 nan 0.000 0.451 190 F N -1.369 118.533 119.950 -0.081 0.000 2.765 190 F HA 0.363 4.907 4.527 0.028 0.000 0.302 190 F C 1.874 177.688 175.800 0.022 0.000 1.111 190 F CA 0.643 58.613 58.000 -0.049 0.000 1.359 190 F CB 0.222 39.205 39.000 -0.029 0.000 1.097 190 F HN 0.355 nan 8.300 nan 0.000 0.577 191 G N 0.050 108.940 108.800 0.151 0.000 2.175 191 G HA2 -0.199 3.778 3.960 0.028 0.000 0.244 191 G HA3 -0.199 3.778 3.960 0.028 0.000 0.244 191 G C 0.756 175.727 174.900 0.118 0.000 0.982 191 G CA -0.272 44.894 45.100 0.110 0.000 0.641 191 G HN 0.713 nan 8.290 nan 0.000 0.527 192 G N -0.449 108.444 108.800 0.155 0.000 2.606 192 G HA2 0.444 4.420 3.960 0.028 0.000 0.252 192 G HA3 0.444 4.420 3.960 0.028 0.000 0.252 192 G C -0.659 174.290 174.900 0.083 0.000 1.206 192 G CA 0.504 45.679 45.100 0.125 0.000 0.861 192 G HN 0.280 nan 8.290 nan 0.000 0.561 193 D N 0.563 121.002 120.400 0.065 0.000 2.441 193 D HA 0.311 4.968 4.640 0.028 0.000 0.231 193 D C -1.362 174.967 176.300 0.048 0.000 1.073 193 D CA -2.350 51.671 54.000 0.035 0.000 0.850 193 D CB 2.002 42.804 40.800 0.004 0.000 1.062 193 D HN 0.037 nan 8.370 nan 0.000 0.524 194 P HA -0.053 nan 4.420 nan 0.000 0.234 194 P C 1.191 178.578 177.300 0.144 0.000 1.167 194 P CA 0.432 63.590 63.100 0.095 0.000 0.763 194 P CB 0.259 31.996 31.700 0.062 0.000 0.835 195 M N -1.196 118.426 119.600 0.037 0.000 2.495 195 M HA 0.112 4.608 4.480 0.028 0.000 0.237 195 M C 0.370 176.334 176.300 -0.559 0.000 1.131 195 M CA 0.373 55.619 55.300 -0.090 0.000 1.032 195 M CB 0.380 32.924 32.600 -0.093 0.000 1.513 195 M HN -0.243 nan 8.290 nan 0.000 0.488 196 S N 0.494 116.033 115.700 -0.269 0.000 2.383 196 S HA 0.482 4.969 4.470 0.028 0.000 0.196 196 S C -1.308 173.323 174.600 0.051 0.000 1.364 196 S CA -0.631 57.415 58.200 -0.257 0.000 1.212 196 S CB 0.554 63.648 63.200 -0.177 0.000 1.171 196 S HN -0.033 nan 8.310 nan 0.000 0.456 197 V N 4.033 124.141 119.914 0.324 0.000 2.487 197 V HA 0.568 4.705 4.120 0.028 0.000 0.298 197 V C -0.114 176.157 176.094 0.296 0.000 1.028 197 V CA -0.476 62.001 62.300 0.295 0.000 0.860 197 V CB 2.064 34.077 31.823 0.317 0.000 0.991 197 V HN 0.742 nan 8.190 nan 0.000 0.427 198 T N 6.479 121.153 114.554 0.200 0.000 2.791 198 T HA 0.569 4.936 4.350 0.028 0.000 0.288 198 T C -0.213 174.617 174.700 0.218 0.000 0.999 198 T CA -0.337 61.882 62.100 0.197 0.000 0.952 198 T CB 0.752 69.676 68.868 0.092 0.000 0.938 198 T HN 0.348 nan 8.240 nan 0.000 0.444 199 L N 5.050 126.382 121.223 0.182 0.000 2.397 199 L HA 0.656 5.013 4.340 0.028 0.000 0.271 199 L C -0.153 176.922 176.870 0.342 0.000 1.148 199 L CA -0.632 54.282 54.840 0.123 0.000 0.825 199 L CB 0.228 42.140 42.059 -0.245 0.000 1.117 199 L HN 0.710 nan 8.230 nan 0.000 0.456 200 F N 0.089 120.097 119.950 0.097 0.000 2.608 200 F HA 0.893 5.436 4.527 0.028 0.000 0.309 200 F C -0.323 175.455 175.800 -0.037 0.000 1.103 200 F CA -0.724 57.379 58.000 0.172 0.000 0.954 200 F CB 2.089 41.334 39.000 0.409 0.000 1.267 200 F HN 0.506 nan 8.300 nan 0.000 0.444 201 G N 1.579 110.256 108.800 -0.205 0.000 2.646 201 G HA2 0.475 4.452 3.960 0.028 0.000 0.291 201 G HA3 0.475 4.452 3.960 0.028 0.000 0.291 201 G C -2.672 172.023 174.900 -0.340 0.000 1.445 201 G CA -0.697 43.905 45.100 -0.831 0.000 0.814 201 G HN 0.819 nan 8.290 nan 0.000 0.495 202 E N 0.300 120.265 120.200 -0.391 0.000 2.256 202 E HA 0.647 5.014 4.350 0.028 0.000 0.267 202 E C 0.669 177.234 176.600 -0.059 0.000 0.892 202 E CA 0.213 56.603 56.400 -0.018 0.000 0.775 202 E CB 2.248 32.075 29.700 0.212 0.000 1.207 202 E HN 0.781 nan 8.360 nan 0.000 0.420 203 S N 2.230 117.963 115.700 0.055 0.000 4.114 203 S HA -0.394 4.093 4.470 0.028 0.000 0.618 203 S C 1.455 176.167 174.600 0.188 0.000 1.937 203 S CA 2.070 60.380 58.200 0.183 0.000 4.228 203 S CB -1.569 61.678 63.200 0.078 0.000 0.216 203 S HN 0.934 nan 8.310 nan 0.000 0.528 204 A N 0.898 123.705 122.820 -0.022 0.000 2.024 204 A HA 0.128 4.465 4.320 0.028 0.000 0.220 204 A C 2.416 179.743 177.584 -0.428 0.000 1.164 204 A CA 2.424 54.241 52.037 -0.367 0.000 0.643 204 A CB -1.496 16.914 19.000 -0.983 0.000 0.806 204 A HN 1.549 nan 8.150 nan 0.000 0.451 205 G N -0.777 107.838 108.800 -0.307 0.000 2.422 205 G HA2 0.081 4.058 3.960 0.028 0.000 0.218 205 G HA3 0.081 4.058 3.960 0.028 0.000 0.218 205 G C 1.662 176.407 174.900 -0.259 0.000 1.140 205 G CA 1.183 46.056 45.100 -0.378 0.000 0.775 205 G HN 0.737 nan 8.290 nan 0.000 0.545 206 A N 1.278 124.023 122.820 -0.125 0.000 1.898 206 A HA 0.334 4.671 4.320 0.028 0.000 0.216 206 A C 2.813 180.399 177.584 0.002 0.000 1.181 206 A CA 2.051 54.075 52.037 -0.023 0.000 0.620 206 A CB -0.802 18.241 19.000 0.073 0.000 0.819 206 A HN 0.712 nan 8.150 nan 0.000 0.442 207 A N -0.419 122.426 122.820 0.041 0.000 1.940 207 A HA -0.099 4.238 4.320 0.028 0.000 0.219 207 A C 2.438 180.055 177.584 0.056 0.000 1.176 207 A CA 2.162 54.221 52.037 0.038 0.000 0.631 207 A CB -0.869 18.180 19.000 0.082 0.000 0.814 207 A HN 0.450 nan 8.150 nan 0.000 0.446 208 S N -0.506 115.221 115.700 0.045 0.000 2.356 208 S HA -0.134 4.353 4.470 0.028 0.000 0.223 208 S C 1.899 176.503 174.600 0.007 0.000 1.032 208 S CA 1.415 59.610 58.200 -0.010 0.000 1.005 208 S CB -0.507 62.624 63.200 -0.115 0.000 0.867 208 S HN 0.352 nan 8.310 nan 0.000 0.449 209 V N 1.715 121.627 119.914 -0.003 0.000 2.332 209 V HA -0.175 3.962 4.120 0.028 0.000 0.248 209 V C 2.602 178.715 176.094 0.032 0.000 1.055 209 V CA 1.968 64.270 62.300 0.003 0.000 1.038 209 V CB -1.481 30.314 31.823 -0.046 0.000 0.651 209 V HN 0.600 nan 8.190 nan 0.000 0.450 210 G N -0.962 107.851 108.800 0.022 0.000 2.422 210 G HA2 -0.280 3.697 3.960 0.028 0.000 0.218 210 G HA3 -0.280 3.697 3.960 0.028 0.000 0.218 210 G C 1.618 176.555 174.900 0.062 0.000 1.146 210 G CA 1.063 46.182 45.100 0.032 0.000 0.769 210 G HN 0.446 nan 8.290 nan 0.000 0.547 211 M N -0.149 119.466 119.600 0.025 0.000 2.229 211 M HA 0.040 4.537 4.480 0.028 0.000 0.264 211 M C 2.282 178.660 176.300 0.131 0.000 1.063 211 M CA 0.849 56.188 55.300 0.065 0.000 1.114 211 M CB -0.177 32.425 32.600 0.004 0.000 1.387 211 M HN 0.210 nan 8.290 nan 0.000 0.420 212 H N -0.230 118.960 119.070 0.200 0.000 2.423 212 H HA -0.024 4.549 4.556 0.028 0.000 0.297 212 H C 2.116 177.648 175.328 0.340 0.000 1.075 212 H CA 1.474 57.644 56.048 0.202 0.000 1.342 212 H CB -0.346 29.392 29.762 -0.041 0.000 1.395 212 H HN 0.413 nan 8.280 nan 0.000 0.530 213 I N 0.781 121.614 120.570 0.437 0.000 2.361 213 I HA -0.227 3.960 4.170 0.028 0.000 0.251 213 I C 1.544 177.863 176.117 0.337 0.000 1.133 213 I CA 1.074 62.659 61.300 0.476 0.000 1.413 213 I CB -0.049 38.152 38.000 0.334 0.000 1.073 213 I HN 0.098 nan 8.210 nan 0.000 0.424 214 L N -0.735 120.631 121.223 0.240 0.000 2.741 214 L HA 0.184 4.541 4.340 0.028 0.000 0.237 214 L C 0.580 177.492 176.870 0.070 0.000 1.178 214 L CA -0.003 54.943 54.840 0.176 0.000 0.973 214 L CB 0.091 42.242 42.059 0.153 0.000 1.255 214 L HN -0.001 nan 8.230 nan 0.000 0.498 215 S N -0.158 115.554 115.700 0.019 0.000 2.756 215 S HA 0.289 4.776 4.470 0.028 0.000 0.303 215 S C 0.911 175.427 174.600 -0.140 0.000 1.135 215 S CA -0.614 57.480 58.200 -0.178 0.000 1.066 215 S CB 1.203 64.044 63.200 -0.599 0.000 1.008 215 S HN 0.066 nan 8.310 nan 0.000 0.482 216 L N 5.591 126.738 121.223 -0.126 0.000 1.978 216 L HA -0.041 4.316 4.340 0.028 0.000 0.218 216 L C -0.703 176.114 176.870 -0.088 0.000 1.075 216 L CA 2.546 57.331 54.840 -0.093 0.000 0.767 216 L CB -2.257 39.751 42.059 -0.084 0.000 0.890 216 L HN 0.535 nan 8.230 nan 0.000 0.434 217 P HA -0.118 nan 4.420 nan 0.000 0.216 217 P C 1.919 179.209 177.300 -0.018 0.000 1.150 217 P CA 1.383 64.442 63.100 -0.069 0.000 0.843 217 P CB 0.039 31.689 31.700 -0.084 0.000 0.787 218 S N -1.083 114.620 115.700 0.006 0.000 2.423 218 S HA -0.071 4.415 4.470 0.028 0.000 0.231 218 S C 1.855 176.582 174.600 0.212 0.000 1.014 218 S CA 0.738 59.053 58.200 0.191 0.000 0.965 218 S CB -0.477 62.962 63.200 0.399 0.000 0.785 218 S HN 0.084 nan 8.310 nan 0.000 0.495 219 R N 1.666 122.191 120.500 0.042 0.000 2.189 219 R HA 0.035 4.392 4.340 0.028 0.000 0.223 219 R C 1.969 178.076 176.300 -0.323 0.000 1.092 219 R CA 1.029 57.008 56.100 -0.201 0.000 0.989 219 R CB -0.782 29.424 30.300 -0.156 0.000 0.876 219 R HN 0.534 nan 8.270 nan 0.000 0.457 220 S N -0.471 115.129 115.700 -0.167 0.000 2.671 220 S HA 0.142 4.629 4.470 0.028 0.000 0.220 220 S C 1.552 176.057 174.600 -0.158 0.000 0.951 220 S CA -0.041 58.054 58.200 -0.176 0.000 0.932 220 S CB -0.053 63.091 63.200 -0.094 0.000 0.777 220 S HN 0.182 nan 8.310 nan 0.000 0.508 221 L N 0.163 121.327 121.223 -0.098 0.000 2.731 221 L HA 0.493 4.850 4.340 0.028 0.000 0.240 221 L C -0.047 176.877 176.870 0.089 0.000 1.120 221 L CA -0.248 54.610 54.840 0.029 0.000 0.913 221 L CB 0.207 42.339 42.059 0.122 0.000 1.213 221 L HN 0.509 nan 8.230 nan 0.000 0.515 222 F N -4.095 115.709 119.950 -0.243 0.000 2.686 222 F HA 0.469 5.013 4.527 0.028 0.000 0.311 222 F C 0.296 175.849 175.800 -0.413 0.000 1.128 222 F CA -1.033 56.833 58.000 -0.223 0.000 0.946 222 F CB 0.899 39.869 39.000 -0.050 0.000 1.336 222 F HN -0.133 nan 8.300 nan 0.000 0.457 223 H N -0.972 118.130 119.070 0.052 0.000 3.017 223 H HA 0.530 5.103 4.556 0.028 0.000 0.255 223 H C -0.181 175.157 175.328 0.017 0.000 0.990 223 H CA -0.072 55.934 56.048 -0.071 0.000 1.205 223 H CB 0.660 30.393 29.762 -0.049 0.000 1.460 223 H HN 0.415 nan 8.280 nan 0.000 0.478 224 R N -0.087 120.605 120.500 0.320 0.000 2.710 224 R HA 0.760 5.117 4.340 0.028 0.000 0.270 224 R C -1.663 174.896 176.300 0.431 0.000 1.021 224 R CA -0.754 55.499 56.100 0.255 0.000 0.889 224 R CB 2.554 32.812 30.300 -0.070 0.000 1.243 224 R HN 0.162 nan 8.270 nan 0.000 0.464 225 A N 1.220 124.314 122.820 0.458 0.000 2.515 225 A HA 0.728 5.065 4.320 0.028 0.000 0.298 225 A C -1.505 176.264 177.584 0.308 0.000 1.059 225 A CA -0.593 51.657 52.037 0.355 0.000 0.698 225 A CB 1.992 21.160 19.000 0.280 0.000 1.289 225 A HN 0.287 nan 8.150 nan 0.000 0.404 226 V N 1.779 121.833 119.914 0.232 0.000 2.525 226 V HA 0.493 4.630 4.120 0.028 0.000 0.299 226 V C -1.207 175.007 176.094 0.200 0.000 1.034 226 V CA -0.284 62.097 62.300 0.135 0.000 0.863 226 V CB 1.284 33.223 31.823 0.193 0.000 0.999 226 V HN 0.681 nan 8.190 nan 0.000 0.423 227 L N 5.152 126.460 121.223 0.143 0.000 2.318 227 L HA 0.532 4.889 4.340 0.028 0.000 0.277 227 L C 0.024 177.012 176.870 0.197 0.000 1.008 227 L CA 0.037 54.955 54.840 0.129 0.000 0.846 227 L CB 1.474 43.564 42.059 0.052 0.000 1.220 227 L HN 0.630 nan 8.230 nan 0.000 0.423 228 Q N 1.986 121.947 119.800 0.268 0.000 2.340 228 Q HA 0.433 4.790 4.340 0.028 0.000 0.259 228 Q C 0.246 176.386 176.000 0.233 0.000 0.964 228 Q CA -0.546 55.470 55.803 0.354 0.000 0.900 228 Q CB 1.369 30.395 28.738 0.480 0.000 1.228 228 Q HN 0.616 nan 8.270 nan 0.000 0.449 229 S N 0.952 116.775 115.700 0.205 0.000 3.581 229 S HA -0.175 4.312 4.470 0.028 0.000 0.354 229 S C 0.044 174.838 174.600 0.324 0.000 1.059 229 S CA 0.613 58.956 58.200 0.239 0.000 1.060 229 S CB -1.140 62.203 63.200 0.238 0.000 0.908 229 S HN 0.983 nan 8.310 nan 0.000 0.475 230 G N -0.475 108.477 108.800 0.253 0.000 2.616 230 G HA2 0.649 4.626 3.960 0.028 0.000 0.294 230 G HA3 0.649 4.626 3.960 0.028 0.000 0.294 230 G C -0.922 174.059 174.900 0.135 0.000 1.489 230 G CA 0.189 45.491 45.100 0.337 0.000 0.836 230 G HN 0.910 nan 8.290 nan 0.000 0.527 231 T N -1.252 113.318 114.554 0.028 0.000 2.868 231 T HA 0.741 5.108 4.350 0.028 0.000 0.306 231 T C -2.328 172.237 174.700 -0.225 0.000 1.224 231 T CA -1.352 60.688 62.100 -0.100 0.000 1.012 231 T CB 3.031 71.820 68.868 -0.130 0.000 1.221 231 T HN 0.269 nan 8.240 nan 0.000 0.499 232 P HA -0.023 nan 4.420 nan 0.000 0.218 232 P C 0.334 177.485 177.300 -0.249 0.000 1.152 232 P CA 0.709 63.700 63.100 -0.183 0.000 0.826 232 P CB -0.173 31.476 31.700 -0.084 0.000 0.790 233 N N 0.877 119.452 118.700 -0.208 0.000 2.399 233 N HA 0.273 5.030 4.740 0.028 0.000 0.250 233 N C 0.797 176.109 175.510 -0.330 0.000 1.272 233 N CA 0.812 53.734 53.050 -0.213 0.000 0.928 233 N CB 0.270 38.672 38.487 -0.140 0.000 1.158 233 N HN 0.256 nan 8.380 nan 0.000 0.463 234 G N -0.418 108.200 108.800 -0.304 0.000 2.384 234 G HA2 -0.078 3.898 3.960 0.028 0.000 0.668 234 G HA3 -0.078 3.898 3.960 0.028 0.000 0.668 234 G C -2.419 172.247 174.900 -0.390 0.000 1.280 234 G CA -0.249 44.623 45.100 -0.380 0.000 0.992 234 G HN 0.497 nan 8.290 nan 0.000 0.512 235 P HA 0.140 nan 4.420 nan 0.000 0.235 235 P C 1.455 178.676 177.300 -0.132 0.000 1.177 235 P CA 1.857 64.816 63.100 -0.236 0.000 0.785 235 P CB -0.019 31.508 31.700 -0.290 0.000 0.885 236 W N -1.457 119.733 121.300 -0.183 0.000 2.975 236 W HA 0.597 5.274 4.660 0.028 0.000 0.316 236 W C 0.966 177.558 176.519 0.122 0.000 1.131 236 W CA 0.420 57.739 57.345 -0.044 0.000 1.624 236 W CB -0.774 28.671 29.460 -0.025 0.000 1.038 236 W HN -0.164 nan 8.180 nan 0.000 0.571 237 A N 1.783 124.311 122.820 -0.488 0.000 2.123 237 A HA 0.164 4.501 4.320 0.028 0.000 0.214 237 A C 1.121 178.572 177.584 -0.222 0.000 1.152 237 A CA 1.715 53.534 52.037 -0.363 0.000 0.728 237 A CB -0.659 17.874 19.000 -0.778 0.000 0.814 237 A HN 0.228 nan 8.150 nan 0.000 0.464 238 T N -3.304 111.128 114.554 -0.204 0.000 2.841 238 T HA 0.617 4.984 4.350 0.028 0.000 0.296 238 T C -0.763 173.864 174.700 -0.122 0.000 1.166 238 T CA -0.087 61.898 62.100 -0.191 0.000 1.007 238 T CB 1.424 70.186 68.868 -0.177 0.000 1.253 238 T HN 0.938 nan 8.240 nan 0.000 0.511 239 V N -1.086 118.763 119.914 -0.109 0.000 3.007 239 V HA 0.889 5.026 4.120 0.028 0.000 0.311 239 V C 0.263 176.318 176.094 -0.065 0.000 1.120 239 V CA -0.788 61.464 62.300 -0.080 0.000 0.980 239 V CB 1.316 33.090 31.823 -0.081 0.000 1.033 239 V HN 1.417 nan 8.190 nan 0.000 0.429 240 S N 2.018 117.687 115.700 -0.052 0.000 2.584 240 S HA 0.529 5.016 4.470 0.028 0.000 0.270 240 S C 1.475 176.056 174.600 -0.032 0.000 1.346 240 S CA 0.145 58.322 58.200 -0.039 0.000 1.018 240 S CB 1.220 64.400 63.200 -0.034 0.000 0.899 240 S HN 2.045 nan 8.310 nan 0.000 0.542 241 A N 2.775 125.582 122.820 -0.021 0.000 1.948 241 A HA 0.037 4.374 4.320 0.028 0.000 0.220 241 A C 2.216 179.790 177.584 -0.017 0.000 1.177 241 A CA 1.962 53.991 52.037 -0.014 0.000 0.636 241 A CB -1.846 17.150 19.000 -0.007 0.000 0.815 241 A HN 1.191 nan 8.150 nan 0.000 0.449 242 G N -0.615 108.173 108.800 -0.019 0.000 2.418 242 G HA2 -0.228 3.749 3.960 0.028 0.000 0.217 242 G HA3 -0.228 3.749 3.960 0.028 0.000 0.217 242 G C 1.463 176.346 174.900 -0.027 0.000 1.158 242 G CA 1.316 46.404 45.100 -0.021 0.000 0.771 242 G HN 0.594 nan 8.290 nan 0.000 0.545 243 E N 0.828 121.007 120.200 -0.035 0.000 2.208 243 E HA 0.164 4.531 4.350 0.028 0.000 0.193 243 E C 2.544 179.107 176.600 -0.063 0.000 0.988 243 E CA 1.202 57.572 56.400 -0.049 0.000 0.828 243 E CB -0.386 29.281 29.700 -0.054 0.000 0.763 243 E HN 0.282 nan 8.360 nan 0.000 0.478 244 A N 0.844 123.636 122.820 -0.047 0.000 1.898 244 A HA -0.132 4.204 4.320 0.028 0.000 0.216 244 A C 2.269 179.850 177.584 -0.006 0.000 1.181 244 A CA 1.566 53.586 52.037 -0.029 0.000 0.620 244 A CB -0.577 18.424 19.000 0.002 0.000 0.819 244 A HN 0.268 nan 8.150 nan 0.000 0.442 245 R N -0.533 119.960 120.500 -0.011 0.000 2.091 245 R HA -0.155 4.202 4.340 0.028 0.000 0.238 245 R C 2.446 178.739 176.300 -0.012 0.000 1.136 245 R CA 1.729 57.822 56.100 -0.011 0.000 0.959 245 R CB -0.315 29.976 30.300 -0.015 0.000 0.856 245 R HN 0.502 nan 8.270 nan 0.000 0.437 246 R N 0.293 120.780 120.500 -0.021 0.000 2.080 246 R HA -0.128 4.229 4.340 0.028 0.000 0.236 246 R C 2.322 178.611 176.300 -0.019 0.000 1.137 246 R CA 2.009 58.096 56.100 -0.022 0.000 0.943 246 R CB -0.115 30.167 30.300 -0.030 0.000 0.846 246 R HN 0.294 nan 8.270 nan 0.000 0.431 247 R N -0.327 120.147 120.500 -0.044 0.000 2.092 247 R HA -0.048 4.309 4.340 0.028 0.000 0.231 247 R C 2.320 178.687 176.300 0.112 0.000 1.119 247 R CA 1.162 57.226 56.100 -0.060 0.000 0.970 247 R CB -0.306 29.802 30.300 -0.319 0.000 0.864 247 R HN 0.232 nan 8.270 nan 0.000 0.440 248 A N 0.736 123.645 122.820 0.148 0.000 1.877 248 A HA -0.163 4.174 4.320 0.028 0.000 0.216 248 A C 2.188 179.784 177.584 0.021 0.000 1.186 248 A CA 1.988 54.093 52.037 0.115 0.000 0.620 248 A CB -0.907 18.101 19.000 0.012 0.000 0.822 248 A HN 0.259 nan 8.150 nan 0.000 0.443 249 T N -0.000 114.556 114.554 0.004 0.000 2.746 249 T HA -0.141 4.226 4.350 0.028 0.000 0.267 249 T C 1.825 176.522 174.700 -0.005 0.000 1.039 249 T CA 1.565 63.657 62.100 -0.013 0.000 1.142 249 T CB -0.346 68.514 68.868 -0.013 0.000 0.866 249 T HN 0.288 nan 8.240 nan 0.000 0.444 250 L N 0.744 121.975 121.223 0.013 0.000 2.056 250 L HA 0.140 4.497 4.340 0.028 0.000 0.207 250 L C 2.169 179.050 176.870 0.018 0.000 1.078 250 L CA 1.337 56.187 54.840 0.017 0.000 0.749 250 L CB -0.744 41.331 42.059 0.027 0.000 0.901 250 L HN 0.184 nan 8.230 nan 0.000 0.433 251 L N -0.557 120.699 121.223 0.055 0.000 2.046 251 L HA -0.115 4.241 4.340 0.028 0.000 0.208 251 L C 2.489 179.333 176.870 -0.043 0.000 1.077 251 L CA 1.866 56.727 54.840 0.035 0.000 0.747 251 L CB -0.698 41.418 42.059 0.095 0.000 0.896 251 L HN 0.281 nan 8.230 nan 0.000 0.432 252 A N -0.345 122.447 122.820 -0.046 0.000 1.858 252 A HA -0.272 4.065 4.320 0.028 0.000 0.216 252 A C 2.520 180.067 177.584 -0.062 0.000 1.190 252 A CA 1.897 53.897 52.037 -0.061 0.000 0.617 252 A CB -0.786 18.178 19.000 -0.060 0.000 0.827 252 A HN 0.480 nan 8.150 nan 0.000 0.443 253 R N -0.403 120.066 120.500 -0.051 0.000 2.117 253 R HA -0.118 4.239 4.340 0.028 0.000 0.243 253 R C 1.904 178.151 176.300 -0.088 0.000 1.143 253 R CA 1.649 57.718 56.100 -0.052 0.000 0.968 253 R CB -0.414 29.867 30.300 -0.031 0.000 0.863 253 R HN 0.565 nan 8.270 nan 0.000 0.444 254 L N 0.579 121.721 121.223 -0.134 0.000 2.291 254 L HA -0.072 4.285 4.340 0.028 0.000 0.214 254 L C 1.773 178.396 176.870 -0.411 0.000 1.120 254 L CA 0.582 55.250 54.840 -0.286 0.000 0.799 254 L CB 0.192 42.036 42.059 -0.359 0.000 0.925 254 L HN 0.144 nan 8.230 nan 0.000 0.446 255 V N -4.119 115.652 119.914 -0.237 0.000 3.271 255 V HA 0.529 4.666 4.120 0.028 0.000 0.327 255 V C 1.099 177.152 176.094 -0.068 0.000 1.389 255 V CA 0.246 62.462 62.300 -0.141 0.000 1.156 255 V CB -0.194 31.595 31.823 -0.056 0.000 1.103 255 V HN 0.404 nan 8.190 nan 0.000 0.453 256 G N -0.383 108.375 108.800 -0.070 0.000 2.141 256 G HA2 -0.233 3.744 3.960 0.028 0.000 0.242 256 G HA3 -0.233 3.744 3.960 0.028 0.000 0.242 256 G C 0.076 174.959 174.900 -0.028 0.000 0.982 256 G CA -0.024 45.053 45.100 -0.038 0.000 0.662 256 G HN 0.717 nan 8.290 nan 0.000 0.527 257 c N 1.927 120.507 118.600 -0.034 0.000 2.351 257 c HA 0.804 5.391 4.570 0.028 0.000 0.326 257 c C -1.333 172.741 174.090 -0.028 0.000 1.272 257 c CA -1.190 55.123 56.329 -0.025 0.000 1.650 257 c CB 1.676 44.172 42.510 -0.024 0.000 2.257 257 c HN 0.446 nan 8.230 nan 0.000 0.505 266 D N 0.346 120.739 120.400 -0.013 0.000 2.104 266 D HA -0.135 4.522 4.640 0.028 0.000 0.194 266 D C 1.185 177.476 176.300 -0.015 0.000 0.994 266 D CA 2.511 56.499 54.000 -0.019 0.000 0.830 266 D CB -0.517 40.272 40.800 -0.017 0.000 0.959 266 D HN 0.753 nan 8.370 nan 0.000 0.452 267 T N 0.583 115.135 114.554 -0.004 0.000 2.665 267 T HA -0.217 4.150 4.350 0.028 0.000 0.268 267 T C 1.879 176.583 174.700 0.005 0.000 1.035 267 T CA 1.647 63.750 62.100 0.005 0.000 1.151 267 T CB -0.320 68.552 68.868 0.008 0.000 0.862 267 T HN 0.114 nan 8.240 nan 0.000 0.438 268 E N 0.784 120.984 120.200 0.000 0.000 2.051 268 E HA -0.032 4.335 4.350 0.028 0.000 0.192 268 E C 2.041 178.639 176.600 -0.003 0.000 0.991 268 E CA 0.697 57.097 56.400 0.001 0.000 0.799 268 E CB -0.467 29.232 29.700 -0.002 0.000 0.748 268 E HN 0.459 nan 8.360 nan 0.000 0.449 269 L N -0.142 121.073 121.223 -0.014 0.000 2.017 269 L HA -0.134 4.222 4.340 0.028 0.000 0.208 269 L C 2.144 178.998 176.870 -0.028 0.000 1.073 269 L CA 1.276 56.100 54.840 -0.026 0.000 0.745 269 L CB -0.139 41.895 42.059 -0.041 0.000 0.894 269 L HN 0.213 nan 8.230 nan 0.000 0.432 270 I N -0.273 120.282 120.570 -0.026 0.000 2.315 270 I HA -0.251 3.936 4.170 0.028 0.000 0.248 270 I C 2.670 178.828 176.117 0.070 0.000 1.117 270 I CA 1.098 62.397 61.300 -0.002 0.000 1.404 270 I CB -0.444 37.559 38.000 0.004 0.000 1.071 270 I HN 0.319 nan 8.210 nan 0.000 0.419 271 A N -0.582 122.265 122.820 0.045 0.000 1.972 271 A HA -0.293 4.044 4.320 0.028 0.000 0.219 271 A C 2.486 180.098 177.584 0.046 0.000 1.169 271 A CA 1.951 54.016 52.037 0.048 0.000 0.635 271 A CB -1.286 17.731 19.000 0.028 0.000 0.810 271 A HN 0.625 nan 8.150 nan 0.000 0.446 272 c N -0.889 117.731 118.600 0.033 0.000 2.475 272 c HA 0.144 4.731 4.570 0.028 0.000 0.279 272 c C 2.546 176.661 174.090 0.041 0.000 1.322 272 c CA 0.766 57.110 56.329 0.025 0.000 1.734 272 c CB -1.504 41.011 42.510 0.008 0.000 2.005 272 c HN 0.588 nan 8.230 nan 0.000 0.495 273 L N 0.462 121.723 121.223 0.062 0.000 2.079 273 L HA -0.130 4.227 4.340 0.028 0.000 0.210 273 L C 2.924 179.899 176.870 0.175 0.000 1.081 273 L CA 1.581 56.492 54.840 0.119 0.000 0.752 273 L CB -0.610 41.519 42.059 0.117 0.000 0.896 273 L HN 0.339 nan 8.230 nan 0.000 0.433 274 R N -0.699 119.903 120.500 0.169 0.000 2.235 274 R HA -0.098 4.259 4.340 0.028 0.000 0.213 274 R C 2.132 178.444 176.300 0.020 0.000 1.059 274 R CA 1.521 57.662 56.100 0.069 0.000 0.997 274 R CB -0.264 30.070 30.300 0.055 0.000 0.884 274 R HN 0.510 nan 8.270 nan 0.000 0.462 275 T N -1.789 112.783 114.554 0.029 0.000 3.081 275 T HA 0.102 4.469 4.350 0.028 0.000 0.255 275 T C 0.944 175.648 174.700 0.007 0.000 1.113 275 T CA -0.029 62.077 62.100 0.011 0.000 1.082 275 T CB 0.194 69.070 68.868 0.012 0.000 0.939 275 T HN -0.134 nan 8.240 nan 0.000 0.506 276 R N 2.677 123.187 120.500 0.016 0.000 2.390 276 R HA 0.408 4.765 4.340 0.028 0.000 0.291 276 R C -2.614 173.684 176.300 -0.002 0.000 1.070 276 R CA -2.480 53.627 56.100 0.012 0.000 1.014 276 R CB 0.151 30.466 30.300 0.024 0.000 1.007 276 R HN 0.262 nan 8.270 nan 0.000 0.466 277 P HA -0.053 nan 4.420 nan 0.000 0.267 277 P C 0.316 177.581 177.300 -0.058 0.000 1.201 277 P CA 0.226 63.299 63.100 -0.046 0.000 0.775 277 P CB 0.522 32.203 31.700 -0.032 0.000 0.854 278 A N 2.153 124.867 122.820 -0.177 0.000 1.908 278 A HA -0.262 4.075 4.320 0.028 0.000 0.218 278 A C 2.136 179.651 177.584 -0.114 0.000 1.181 278 A CA 1.868 53.775 52.037 -0.216 0.000 0.627 278 A CB -1.202 17.166 19.000 -1.053 0.000 0.818 278 A HN 0.527 nan 8.150 nan 0.000 0.445 279 Q N 0.059 119.774 119.800 -0.141 0.000 2.291 279 Q HA -0.131 4.226 4.340 0.028 0.000 0.205 279 Q C 1.177 177.219 176.000 0.070 0.000 0.970 279 Q CA 1.764 57.619 55.803 0.087 0.000 0.876 279 Q CB -0.385 28.425 28.738 0.120 0.000 0.935 279 Q HN 0.647 nan 8.270 nan 0.000 0.455 280 D N -0.779 119.649 120.400 0.046 0.000 2.097 280 D HA -0.148 4.509 4.640 0.028 0.000 0.195 280 D C 1.509 177.868 176.300 0.098 0.000 0.989 280 D CA 0.858 54.904 54.000 0.076 0.000 0.827 280 D CB -0.114 40.728 40.800 0.070 0.000 0.966 280 D HN 0.199 nan 8.370 nan 0.000 0.456 281 L N 0.369 121.625 121.223 0.056 0.000 1.989 281 L HA -0.139 4.218 4.340 0.028 0.000 0.211 281 L C 2.556 179.442 176.870 0.027 0.000 1.071 281 L CA 1.026 55.858 54.840 -0.013 0.000 0.749 281 L CB -1.030 40.916 42.059 -0.188 0.000 0.890 281 L HN -0.024 nan 8.230 nan 0.000 0.431 282 V N -0.291 119.700 119.914 0.129 0.000 2.332 282 V HA -0.327 3.810 4.120 0.028 0.000 0.248 282 V C 2.251 178.441 176.094 0.161 0.000 1.055 282 V CA 1.819 64.249 62.300 0.216 0.000 1.038 282 V CB -0.653 31.371 31.823 0.334 0.000 0.651 282 V HN 0.413 nan 8.190 nan 0.000 0.450 283 D N -0.960 119.462 120.400 0.036 0.000 2.172 283 D HA -0.172 4.485 4.640 0.028 0.000 0.196 283 D C 1.929 178.034 176.300 -0.325 0.000 0.999 283 D CA 1.487 55.411 54.000 -0.127 0.000 0.856 283 D CB -0.185 40.460 40.800 -0.258 0.000 0.934 283 D HN 0.564 nan 8.370 nan 0.000 0.453 284 H N -0.808 118.208 119.070 -0.089 0.000 2.755 284 H HA 0.135 4.708 4.556 0.028 0.000 0.273 284 H C 1.572 176.819 175.328 -0.136 0.000 1.055 284 H CA -0.045 55.796 56.048 -0.344 0.000 1.191 284 H CB 0.635 30.237 29.762 -0.266 0.000 1.536 284 H HN 0.287 nan 8.280 nan 0.000 0.529 285 E N 0.860 121.089 120.200 0.048 0.000 2.136 285 E HA -0.225 4.142 4.350 0.028 0.000 0.202 285 E C 1.053 177.547 176.600 -0.177 0.000 1.019 285 E CA 1.597 57.966 56.400 -0.051 0.000 0.819 285 E CB -0.002 29.555 29.700 -0.239 0.000 0.739 285 E HN 0.464 nan 8.360 nan 0.000 0.458 286 W N -0.781 120.691 121.300 0.288 0.000 2.770 286 W HA -0.023 4.654 4.660 0.029 0.000 0.256 286 W C 1.750 178.452 176.519 0.305 0.000 1.291 286 W CA 0.197 57.679 57.345 0.229 0.000 1.396 286 W CB 0.103 29.625 29.460 0.104 0.000 1.114 286 W HN 0.205 nan 8.180 nan 0.000 0.637 287 H N -0.374 118.854 119.070 0.262 0.000 2.563 287 H HA -0.022 4.551 4.556 0.028 0.000 0.272 287 H C 2.000 177.404 175.328 0.126 0.000 1.005 287 H CA 0.937 57.103 56.048 0.197 0.000 1.171 287 H CB -0.904 28.991 29.762 0.221 0.000 1.351 287 H HN 0.193 nan 8.280 nan 0.000 0.602 288 V N -2.581 117.456 119.914 0.206 0.000 3.647 288 V HA 0.193 4.330 4.120 0.028 0.000 0.279 288 V C 0.798 176.897 176.094 0.008 0.000 1.314 288 V CA -0.170 62.175 62.300 0.075 0.000 1.125 288 V CB -0.463 31.366 31.823 0.009 0.000 0.907 288 V HN 0.052 nan 8.190 nan 0.000 0.434 289 L N 1.858 123.110 121.223 0.049 0.000 2.461 289 L HA 0.235 4.592 4.340 0.028 0.000 0.272 289 L C -0.556 176.325 176.870 0.017 0.000 1.197 289 L CA -0.982 53.873 54.840 0.025 0.000 0.836 289 L CB 0.525 42.632 42.059 0.079 0.000 1.105 289 L HN 0.147 nan 8.230 nan 0.000 0.477 290 P HA -0.029 nan 4.420 nan 0.000 0.225 290 P C -0.513 176.790 177.300 0.005 0.000 1.156 290 P CA 0.878 63.977 63.100 -0.001 0.000 0.787 290 P CB 0.478 32.170 31.700 -0.012 0.000 0.802 291 Q N -1.420 118.385 119.800 0.008 0.000 2.501 291 Q HA 0.310 4.667 4.340 0.028 0.000 0.288 291 Q C -0.764 175.240 176.000 0.008 0.000 1.051 291 Q CA -0.743 55.063 55.803 0.006 0.000 0.788 291 Q CB 1.367 30.106 28.738 0.001 0.000 1.469 291 Q HN -0.086 nan 8.270 nan 0.000 0.416 292 E N 1.170 121.371 120.200 0.003 0.000 2.498 292 E HA 0.231 4.598 4.350 0.028 0.000 0.252 292 E C -0.922 175.673 176.600 -0.008 0.000 1.025 292 E CA 0.179 56.577 56.400 -0.003 0.000 0.938 292 E CB 0.272 29.970 29.700 -0.004 0.000 0.947 292 E HN 0.576 nan 8.360 nan 0.000 0.478 293 S N 3.758 119.449 115.700 -0.016 0.000 2.656 293 S HA 0.709 5.196 4.470 0.028 0.000 0.273 293 S C -0.457 174.114 174.600 -0.048 0.000 1.168 293 S CA -1.018 57.166 58.200 -0.026 0.000 0.817 293 S CB 0.988 64.174 63.200 -0.024 0.000 1.146 293 S HN 0.529 nan 8.310 nan 0.000 0.475 294 I N -3.430 117.106 120.570 -0.057 0.000 3.145 294 I HA 0.766 4.953 4.170 0.028 0.000 0.313 294 I C -0.260 175.784 176.117 -0.122 0.000 1.122 294 I CA -1.281 59.972 61.300 -0.079 0.000 0.987 294 I CB 1.200 39.186 38.000 -0.024 0.000 1.236 294 I HN 0.756 nan 8.210 nan 0.000 0.453 295 F N 1.579 121.276 119.950 -0.421 0.000 3.079 295 F HA -0.198 4.346 4.527 0.027 0.000 0.274 295 F C -0.259 174.991 175.800 -0.916 0.000 0.940 295 F CA 0.727 58.241 58.000 -0.811 0.000 0.932 295 F CB -0.642 37.762 39.000 -0.993 0.000 0.891 295 F HN 0.537 nan 8.300 nan 0.000 0.722 296 R N 0.317 120.432 120.500 -0.642 0.000 2.750 296 R HA 0.700 5.057 4.340 0.028 0.000 0.281 296 R C -0.921 175.059 176.300 -0.534 0.000 0.972 296 R CA -0.624 55.166 56.100 -0.517 0.000 0.912 296 R CB 1.402 31.616 30.300 -0.143 0.000 1.187 296 R HN 0.009 nan 8.270 nan 0.000 0.464 297 F N -1.135 119.003 119.950 0.312 0.000 2.576 297 F HA 0.339 4.883 4.527 0.028 0.000 0.313 297 F C 1.317 177.186 175.800 0.114 0.000 1.078 297 F CA -0.843 57.385 58.000 0.379 0.000 0.921 297 F CB 1.891 41.172 39.000 0.468 0.000 1.232 297 F HN 0.352 nan 8.300 nan 0.000 0.459 298 S N 0.390 116.116 115.700 0.042 0.000 2.414 298 S HA 0.104 4.590 4.470 0.028 0.000 0.227 298 S C -0.220 174.006 174.600 -0.624 0.000 1.022 298 S CA 0.904 58.899 58.200 -0.342 0.000 0.958 298 S CB -0.148 62.749 63.200 -0.505 0.000 0.797 298 S HN 0.360 nan 8.310 nan 0.000 0.493 299 F N 1.532 121.515 119.950 0.056 0.000 2.577 299 F HA 0.546 5.090 4.527 0.028 0.000 0.344 299 F C -0.215 175.623 175.800 0.063 0.000 1.145 299 F CA -1.017 57.035 58.000 0.088 0.000 0.996 299 F CB 1.645 40.716 39.000 0.119 0.000 1.248 299 F HN -0.125 nan 8.300 nan 0.000 0.447 300 V N 0.772 120.672 119.914 -0.024 0.000 3.160 300 V HA 0.774 4.911 4.120 0.028 0.000 0.310 300 V C -2.930 172.802 176.094 -0.602 0.000 1.181 300 V CA -3.250 58.720 62.300 -0.551 0.000 1.047 300 V CB 2.083 33.768 31.823 -0.230 0.000 1.068 300 V HN 0.251 nan 8.190 nan 0.000 0.441 301 P HA 0.178 nan 4.420 nan 0.000 0.266 301 P C -0.740 176.413 177.300 -0.245 0.000 1.193 301 P CA 0.374 63.181 63.100 -0.488 0.000 0.770 301 P CB 0.611 31.945 31.700 -0.610 0.000 0.836 302 V N 4.149 123.999 119.914 -0.107 0.000 2.628 302 V HA 0.258 4.395 4.120 0.028 0.000 0.306 302 V C -0.447 175.624 176.094 -0.039 0.000 1.045 302 V CA -0.914 61.350 62.300 -0.060 0.000 0.905 302 V CB 2.128 33.947 31.823 -0.008 0.000 0.997 302 V HN 0.131 nan 8.190 nan 0.000 0.436 303 V N 7.356 127.249 119.914 -0.035 0.000 2.364 303 V HA 0.201 4.338 4.120 0.028 0.000 0.252 303 V C 0.728 176.826 176.094 0.007 0.000 1.075 303 V CA 0.366 62.660 62.300 -0.010 0.000 1.033 303 V CB 0.218 32.028 31.823 -0.021 0.000 1.116 303 V HN 1.051 nan 8.190 nan 0.000 0.488 304 D N 2.695 123.114 120.400 0.030 0.000 2.369 304 D HA 0.147 4.804 4.640 0.028 0.000 0.211 304 D C 1.527 177.850 176.300 0.038 0.000 1.077 304 D CA 0.627 54.649 54.000 0.036 0.000 0.842 304 D CB 0.590 41.422 40.800 0.055 0.000 0.947 304 D HN 0.655 nan 8.370 nan 0.000 0.509 305 G N 0.718 109.541 108.800 0.039 0.000 2.184 305 G HA2 -0.354 3.623 3.960 0.028 0.000 0.264 305 G HA3 -0.354 3.623 3.960 0.028 0.000 0.264 305 G C 0.543 175.465 174.900 0.038 0.000 0.975 305 G CA 0.832 45.950 45.100 0.030 0.000 0.642 305 G HN 0.533 nan 8.290 nan 0.000 0.536 306 D N -1.380 119.059 120.400 0.065 0.000 3.013 306 D HA 0.265 4.922 4.640 0.028 0.000 0.256 306 D C 1.819 178.179 176.300 0.100 0.000 1.573 306 D CA 0.464 54.509 54.000 0.074 0.000 1.197 306 D CB -0.507 40.347 40.800 0.089 0.000 1.041 306 D HN 0.098 nan 8.370 nan 0.000 0.304 307 F N 1.068 121.025 119.950 0.012 0.000 2.102 307 F HA 0.194 4.738 4.527 0.028 0.000 0.298 307 F C 0.583 176.382 175.800 -0.001 0.000 1.105 307 F CA 1.102 59.108 58.000 0.011 0.000 1.239 307 F CB 0.098 39.104 39.000 0.010 0.000 0.991 307 F HN -0.032 nan 8.300 nan 0.000 0.474 308 L N 0.991 122.396 121.223 0.303 0.000 2.277 308 L HA 0.187 4.544 4.340 0.028 0.000 0.284 308 L C 1.413 178.330 176.870 0.078 0.000 1.028 308 L CA -0.190 54.751 54.840 0.168 0.000 0.835 308 L CB 1.309 43.449 42.059 0.135 0.000 1.215 308 L HN 0.115 nan 8.230 nan 0.000 0.425 309 S N 0.666 116.389 115.700 0.040 0.000 2.428 309 S HA -0.009 4.478 4.470 0.028 0.000 0.230 309 S C 0.517 175.126 174.600 0.014 0.000 1.014 309 S CA 0.488 58.699 58.200 0.018 0.000 0.957 309 S CB 0.217 63.415 63.200 -0.002 0.000 0.784 309 S HN 0.680 nan 8.310 nan 0.000 0.499 310 D N 0.232 120.642 120.400 0.016 0.000 2.752 310 D HA 0.321 4.978 4.640 0.028 0.000 0.313 310 D C -0.773 175.530 176.300 0.005 0.000 1.225 310 D CA -0.006 53.998 54.000 0.007 0.000 0.976 310 D CB 1.646 42.448 40.800 0.003 0.000 1.443 310 D HN 0.262 nan 8.370 nan 0.000 0.515 311 T N -0.996 113.554 114.554 -0.006 0.000 2.932 311 T HA 0.186 4.553 4.350 0.028 0.000 0.312 311 T C -1.830 172.863 174.700 -0.012 0.000 1.071 311 T CA -0.704 61.384 62.100 -0.019 0.000 1.128 311 T CB 1.025 69.875 68.868 -0.030 0.000 0.984 311 T HN 0.077 nan 8.240 nan 0.000 0.549 312 P HA -0.111 nan 4.420 nan 0.000 0.216 312 P C 1.405 178.702 177.300 -0.005 0.000 1.153 312 P CA 1.149 64.240 63.100 -0.015 0.000 0.858 312 P CB 0.054 31.717 31.700 -0.061 0.000 0.789 313 E N -0.271 119.913 120.200 -0.026 0.000 2.048 313 E HA -0.218 4.149 4.350 0.028 0.000 0.202 313 E C 2.175 178.781 176.600 0.010 0.000 1.021 313 E CA 1.918 58.309 56.400 -0.014 0.000 0.825 313 E CB -1.310 28.374 29.700 -0.028 0.000 0.756 313 E HN 0.134 nan 8.360 nan 0.000 0.454 314 A N 0.371 123.195 122.820 0.006 0.000 1.940 314 A HA -0.180 4.157 4.320 0.028 0.000 0.219 314 A C 2.227 179.828 177.584 0.029 0.000 1.176 314 A CA 1.386 53.430 52.037 0.012 0.000 0.631 314 A CB -0.652 18.350 19.000 0.003 0.000 0.814 314 A HN 0.206 nan 8.150 nan 0.000 0.446 315 L N -0.301 120.947 121.223 0.041 0.000 2.131 315 L HA -0.084 4.273 4.340 0.028 0.000 0.206 315 L C 2.577 179.534 176.870 0.144 0.000 1.087 315 L CA 1.334 56.214 54.840 0.067 0.000 0.767 315 L CB -0.526 41.578 42.059 0.074 0.000 0.917 315 L HN 0.663 nan 8.230 nan 0.000 0.441 316 I N -2.882 117.784 120.570 0.160 0.000 2.439 316 I HA -0.125 4.062 4.170 0.028 0.000 0.251 316 I C 1.890 178.135 176.117 0.214 0.000 1.139 316 I CA 1.181 62.631 61.300 0.251 0.000 1.438 316 I CB -0.487 37.573 38.000 0.101 0.000 1.085 316 I HN 0.154 nan 8.210 nan 0.000 0.427 317 N N 1.428 120.195 118.700 0.111 0.000 2.381 317 N HA -0.117 4.639 4.740 0.028 0.000 0.182 317 N C 1.755 177.308 175.510 0.071 0.000 1.025 317 N CA 2.059 55.158 53.050 0.082 0.000 0.888 317 N CB -0.356 38.158 38.487 0.045 0.000 0.965 317 N HN 0.711 nan 8.380 nan 0.000 0.438 318 T N -4.287 110.299 114.554 0.055 0.000 3.003 318 T HA 0.305 4.672 4.350 0.028 0.000 0.261 318 T C 0.952 175.616 174.700 -0.060 0.000 1.003 318 T CA -0.322 61.780 62.100 0.004 0.000 0.917 318 T CB 0.093 68.954 68.868 -0.012 0.000 1.084 318 T HN 0.043 nan 8.240 nan 0.000 0.522 319 G N 0.994 109.733 108.800 -0.102 0.000 2.569 319 G HA2 0.399 4.376 3.960 0.028 0.000 0.249 319 G HA3 0.399 4.376 3.960 0.028 0.000 0.249 319 G C -1.009 173.565 174.900 -0.542 0.000 1.216 319 G CA -0.358 44.467 45.100 -0.458 0.000 0.845 319 G HN 0.285 nan 8.290 nan 0.000 0.568 320 D N 0.317 120.370 120.400 -0.578 0.000 2.317 320 D HA 0.318 4.975 4.640 0.028 0.000 0.234 320 D C -0.453 175.547 176.300 -0.500 0.000 1.112 320 D CA -0.645 53.127 54.000 -0.380 0.000 0.840 320 D CB 0.658 41.338 40.800 -0.200 0.000 1.078 320 D HN 0.091 nan 8.370 nan 0.000 0.486 321 F N 2.277 122.232 119.950 0.008 0.000 2.850 321 F HA 0.219 4.763 4.527 0.029 0.000 0.306 321 F C 1.963 177.771 175.800 0.012 0.000 1.162 321 F CA -0.367 57.641 58.000 0.014 0.000 1.327 321 F CB 0.281 39.298 39.000 0.028 0.000 0.953 321 F HN 0.407 nan 8.300 nan 0.000 0.507 322 Q N 0.325 120.188 119.800 0.105 0.000 2.084 322 Q HA -0.153 4.204 4.340 0.028 0.000 0.202 322 Q C 0.524 176.565 176.000 0.068 0.000 0.978 322 Q CA 1.598 57.445 55.803 0.073 0.000 0.844 322 Q CB 0.165 28.919 28.738 0.026 0.000 0.898 322 Q HN 0.167 nan 8.270 nan 0.000 0.426 323 D N 0.058 120.491 120.400 0.056 0.000 2.738 323 D HA 0.153 4.810 4.640 0.028 0.000 0.246 323 D C -1.146 175.188 176.300 0.056 0.000 1.270 323 D CA -0.049 53.976 54.000 0.041 0.000 0.833 323 D CB 0.334 41.141 40.800 0.013 0.000 1.040 323 D HN 0.105 nan 8.370 nan 0.000 0.487 324 L N 0.947 122.231 121.223 0.101 0.000 2.329 324 L HA 0.391 4.748 4.340 0.028 0.000 0.279 324 L C -0.796 176.148 176.870 0.124 0.000 1.014 324 L CA -0.461 54.451 54.840 0.121 0.000 0.814 324 L CB 1.799 43.973 42.059 0.192 0.000 1.257 324 L HN -0.217 nan 8.230 nan 0.000 0.424 325 Q N 3.088 122.970 119.800 0.137 0.000 2.312 325 Q HA 0.806 5.163 4.340 0.028 0.000 0.263 325 Q C -1.426 174.797 176.000 0.371 0.000 0.995 325 Q CA -0.493 55.439 55.803 0.216 0.000 0.853 325 Q CB 2.573 31.386 28.738 0.125 0.000 1.300 325 Q HN 0.472 nan 8.270 nan 0.000 0.448 326 V N 2.278 122.421 119.914 0.382 0.000 2.733 326 V HA 0.467 4.603 4.120 0.028 0.000 0.306 326 V C -1.553 174.551 176.094 0.017 0.000 1.084 326 V CA -0.859 61.592 62.300 0.253 0.000 0.905 326 V CB 1.954 33.825 31.823 0.080 0.000 1.010 326 V HN 0.604 nan 8.190 nan 0.000 0.424 327 L N 6.773 127.786 121.223 -0.350 0.000 2.305 327 L HA 0.917 5.273 4.340 0.028 0.000 0.284 327 L C -0.482 176.286 176.870 -0.170 0.000 1.013 327 L CA -0.183 54.340 54.840 -0.530 0.000 0.819 327 L CB 1.623 42.867 42.059 -1.358 0.000 1.227 327 L HN 0.654 nan 8.230 nan 0.000 0.417 328 V N 2.207 122.095 119.914 -0.043 0.000 3.007 328 V HA 1.130 5.267 4.120 0.028 0.000 0.311 328 V C -0.229 175.669 176.094 -0.326 0.000 1.120 328 V CA 0.271 62.526 62.300 -0.074 0.000 0.980 328 V CB 1.174 32.916 31.823 -0.135 0.000 1.033 328 V HN 1.092 nan 8.190 nan 0.000 0.429 329 G N 1.064 109.491 108.800 -0.621 0.000 2.428 329 G HA2 0.788 4.765 3.960 0.028 0.000 0.304 329 G HA3 0.788 4.765 3.960 0.028 0.000 0.304 329 G C -1.154 173.393 174.900 -0.588 0.000 1.303 329 G CA 0.117 44.472 45.100 -1.242 0.000 0.825 329 G HN 2.119 nan 8.290 nan 0.000 0.484 330 V N -2.348 117.356 119.914 -0.349 0.000 3.159 330 V HA 0.907 5.044 4.120 0.028 0.000 0.308 330 V C 0.278 176.561 176.094 0.315 0.000 1.190 330 V CA -0.391 61.950 62.300 0.069 0.000 1.037 330 V CB 1.078 32.920 31.823 0.033 0.000 1.060 330 V HN 1.883 nan 8.190 nan 0.000 0.437 331 V N -0.278 119.845 119.914 0.348 0.000 3.134 331 V HA 0.545 4.682 4.120 0.028 0.000 0.313 331 V C 1.361 177.646 176.094 0.318 0.000 1.069 331 V CA 0.022 62.576 62.300 0.423 0.000 1.048 331 V CB 1.273 33.341 31.823 0.408 0.000 1.119 331 V HN 1.123 nan 8.190 nan 0.000 0.461 332 K N -0.299 120.285 120.400 0.307 0.000 2.442 332 K HA -0.014 4.322 4.320 0.028 0.000 0.198 332 K C 0.140 176.857 176.600 0.195 0.000 1.042 332 K CA 1.391 57.811 56.287 0.221 0.000 0.958 332 K CB 0.112 32.721 32.500 0.181 0.000 0.766 332 K HN 0.897 nan 8.250 nan 0.000 0.474 333 D N 0.922 121.448 120.400 0.209 0.000 2.997 333 D HA 0.020 4.676 4.640 0.028 0.000 0.362 333 D C 0.069 176.488 176.300 0.200 0.000 1.298 333 D CA -0.091 54.017 54.000 0.180 0.000 0.756 333 D CB 1.090 41.975 40.800 0.141 0.000 1.216 333 D HN 0.102 nan 8.370 nan 0.000 0.496 334 E N 0.349 120.680 120.200 0.219 0.000 2.130 334 E HA -0.142 4.225 4.350 0.028 0.000 0.196 334 E C 1.841 178.600 176.600 0.265 0.000 0.998 334 E CA 0.962 57.525 56.400 0.271 0.000 0.806 334 E CB 0.159 29.986 29.700 0.212 0.000 0.738 334 E HN 0.398 nan 8.360 nan 0.000 0.459 335 G N 0.551 109.464 108.800 0.188 0.000 2.986 335 G HA2 -0.088 3.889 3.960 0.028 0.000 0.213 335 G HA3 -0.088 3.889 3.960 0.028 0.000 0.213 335 G C 1.601 176.630 174.900 0.214 0.000 1.156 335 G CA 0.628 45.847 45.100 0.199 0.000 0.763 335 G HN 0.326 nan 8.290 nan 0.000 0.547 336 S N 1.314 117.102 115.700 0.146 0.000 2.368 336 S HA 0.016 4.502 4.470 0.028 0.000 0.225 336 S C 2.575 177.149 174.600 -0.043 0.000 1.030 336 S CA 1.470 59.718 58.200 0.080 0.000 0.999 336 S CB -0.464 62.737 63.200 0.002 0.000 0.844 336 S HN 0.454 nan 8.310 nan 0.000 0.459 337 A N 0.697 123.425 122.820 -0.153 0.000 1.969 337 A HA 0.173 4.510 4.320 0.028 0.000 0.218 337 A C 1.838 179.286 177.584 -0.226 0.000 1.169 337 A CA 1.099 52.915 52.037 -0.368 0.000 0.635 337 A CB -1.022 17.647 19.000 -0.551 0.000 0.810 337 A HN 0.562 nan 8.150 nan 0.000 0.445 338 F N 0.076 119.956 119.950 -0.116 0.000 2.365 338 F HA -0.029 4.515 4.527 0.027 0.000 0.300 338 F C 1.939 177.725 175.800 -0.023 0.000 1.090 338 F CA 0.825 58.757 58.000 -0.113 0.000 1.408 338 F CB -0.309 38.560 39.000 -0.218 0.000 1.060 338 F HN 0.116 nan 8.300 nan 0.000 0.534 339 L N -0.222 121.042 121.223 0.067 0.000 2.141 339 L HA -0.132 4.225 4.340 0.028 0.000 0.209 339 L C 2.409 179.309 176.870 0.050 0.000 1.094 339 L CA 0.994 55.755 54.840 -0.131 0.000 0.763 339 L CB -0.861 40.845 42.059 -0.589 0.000 0.908 339 L HN 0.157 nan 8.230 nan 0.000 0.437 340 V N -4.432 115.575 119.914 0.156 0.000 3.217 340 V HA -0.160 3.977 4.120 0.028 0.000 0.264 340 V C 0.833 176.890 176.094 -0.061 0.000 1.135 340 V CA 0.557 62.953 62.300 0.161 0.000 1.142 340 V CB -1.244 30.719 31.823 0.234 0.000 0.754 340 V HN 0.238 nan 8.190 nan 0.000 0.484 341 Y N 2.462 122.757 120.300 -0.008 0.000 2.735 341 Y HA 0.626 5.192 4.550 0.028 0.000 0.354 341 Y C 1.569 177.426 175.900 -0.072 0.000 1.288 341 Y CA 0.243 58.296 58.100 -0.079 0.000 1.836 341 Y CB 0.067 38.438 38.460 -0.150 0.000 1.920 341 Y HN 0.390 nan 8.280 nan 0.000 0.438 342 G N -0.211 108.607 108.800 0.029 0.000 2.176 342 G HA2 -0.253 3.724 3.960 0.028 0.000 0.232 342 G HA3 -0.253 3.724 3.960 0.028 0.000 0.232 342 G C -0.270 174.662 174.900 0.054 0.000 0.986 342 G CA -0.081 45.031 45.100 0.020 0.000 0.643 342 G HN 0.272 nan 8.290 nan 0.000 0.522 343 V N 2.314 122.286 119.914 0.098 0.000 2.427 343 V HA 0.385 4.522 4.120 0.028 0.000 0.268 343 V C -1.489 174.756 176.094 0.253 0.000 1.046 343 V CA -1.432 60.957 62.300 0.148 0.000 0.970 343 V CB 0.949 32.823 31.823 0.086 0.000 1.001 343 V HN 0.140 nan 8.190 nan 0.000 0.476 344 P HA 0.246 nan 4.420 nan 0.000 0.261 344 P C 1.016 178.391 177.300 0.124 0.000 1.183 344 P CA 1.294 64.464 63.100 0.117 0.000 0.761 344 P CB 0.597 32.336 31.700 0.065 0.000 0.785 345 G N 1.617 110.427 108.800 0.017 0.000 2.253 345 G HA2 -0.189 3.788 3.960 0.028 0.000 0.209 345 G HA3 -0.189 3.788 3.960 0.028 0.000 0.209 345 G C -0.236 174.416 174.900 -0.413 0.000 0.997 345 G CA -0.623 44.342 45.100 -0.226 0.000 0.640 345 G HN 0.394 nan 8.290 nan 0.000 0.496 346 F N 1.569 121.515 119.950 -0.006 0.000 2.443 346 F HA 0.822 5.365 4.527 0.027 0.000 0.335 346 F C 0.545 176.420 175.800 0.126 0.000 1.104 346 F CA -0.235 57.782 58.000 0.028 0.000 1.013 346 F CB 2.310 41.370 39.000 0.101 0.000 1.136 346 F HN 0.162 nan 8.300 nan 0.000 0.470 347 S N 1.291 117.210 115.700 0.366 0.000 2.579 347 S HA 0.329 4.815 4.470 0.028 0.000 0.272 347 S C 0.189 175.092 174.600 0.505 0.000 1.141 347 S CA -0.862 57.557 58.200 0.366 0.000 0.843 347 S CB 1.488 64.809 63.200 0.202 0.000 1.122 347 S HN 0.755 nan 8.310 nan 0.000 0.468 348 K N 0.866 121.457 120.400 0.318 0.000 2.418 348 K HA 0.200 4.537 4.320 0.028 0.000 0.195 348 K C 0.064 176.690 176.600 0.042 0.000 1.035 348 K CA 0.817 57.200 56.287 0.158 0.000 1.003 348 K CB -0.022 32.370 32.500 -0.180 0.000 0.793 348 K HN 0.396 nan 8.250 nan 0.000 0.494 349 D N 0.899 121.314 120.400 0.025 0.000 2.360 349 D HA 0.018 4.675 4.640 0.028 0.000 0.210 349 D C -0.280 176.051 176.300 0.052 0.000 1.047 349 D CA 0.281 54.269 54.000 -0.020 0.000 0.854 349 D CB 0.178 40.937 40.800 -0.067 0.000 0.936 349 D HN 0.490 nan 8.370 nan 0.000 0.514 350 N N -1.088 117.683 118.700 0.119 0.000 3.229 350 N HA 0.120 4.877 4.740 0.028 0.000 0.315 350 N C 0.452 176.019 175.510 0.095 0.000 1.520 350 N CA -0.530 52.564 53.050 0.073 0.000 0.769 350 N CB 0.784 39.268 38.487 -0.005 0.000 1.766 350 N HN -0.411 nan 8.380 nan 0.000 0.618 351 E N -0.425 119.745 120.200 -0.050 0.000 2.482 351 E HA 0.017 4.384 4.350 0.028 0.000 0.196 351 E C -0.375 175.847 176.600 -0.631 0.000 1.047 351 E CA 0.447 56.728 56.400 -0.199 0.000 0.869 351 E CB -0.492 29.142 29.700 -0.111 0.000 0.836 351 E HN 0.605 nan 8.360 nan 0.000 0.520 352 S N 0.398 115.777 115.700 -0.535 0.000 3.549 352 S HA -0.200 4.287 4.470 0.028 0.000 0.366 352 S C 0.429 174.602 174.600 -0.713 0.000 1.012 352 S CA 0.230 57.994 58.200 -0.726 0.000 1.141 352 S CB -2.134 60.453 63.200 -1.021 0.000 0.910 352 S HN 0.297 nan 8.310 nan 0.000 0.471 353 L N 1.552 122.507 121.223 -0.448 0.000 2.418 353 L HA 0.415 4.772 4.340 0.028 0.000 0.274 353 L C 0.751 177.427 176.870 -0.323 0.000 1.135 353 L CA 0.009 54.651 54.840 -0.329 0.000 0.870 353 L CB -0.005 41.928 42.059 -0.210 0.000 1.154 353 L HN 0.450 nan 8.230 nan 0.000 0.462 354 I N 0.005 120.392 120.570 -0.305 0.000 2.910 354 I HA 0.658 4.845 4.170 0.028 0.000 0.310 354 I C 0.445 176.488 176.117 -0.123 0.000 1.043 354 I CA -0.709 60.442 61.300 -0.249 0.000 1.053 354 I CB 1.995 39.817 38.000 -0.296 0.000 1.242 354 I HN 0.560 nan 8.210 nan 0.000 0.452 355 S N 2.296 117.953 115.700 -0.073 0.000 2.645 355 S HA 0.372 4.859 4.470 0.028 0.000 0.266 355 S C 0.988 175.610 174.600 0.036 0.000 1.258 355 S CA -0.436 57.748 58.200 -0.025 0.000 0.990 355 S CB 1.532 64.722 63.200 -0.016 0.000 0.967 355 S HN 0.873 nan 8.310 nan 0.000 0.556 356 R N 0.584 121.111 120.500 0.044 0.000 2.103 356 R HA -0.130 4.227 4.340 0.028 0.000 0.242 356 R C 2.406 178.797 176.300 0.152 0.000 1.142 356 R CA 1.762 57.930 56.100 0.113 0.000 0.960 356 R CB -1.166 29.175 30.300 0.067 0.000 0.858 356 R HN 0.851 nan 8.270 nan 0.000 0.439 357 A N 0.399 123.269 122.820 0.083 0.000 1.908 357 A HA -0.237 4.100 4.320 0.028 0.000 0.218 357 A C 2.054 179.679 177.584 0.068 0.000 1.181 357 A CA 1.664 53.739 52.037 0.063 0.000 0.627 357 A CB -0.513 18.508 19.000 0.035 0.000 0.818 357 A HN 0.520 nan 8.150 nan 0.000 0.445 358 Q N -1.932 117.912 119.800 0.073 0.000 2.167 358 Q HA -0.095 4.262 4.340 0.028 0.000 0.202 358 Q C 1.853 177.946 176.000 0.155 0.000 0.970 358 Q CA 1.414 57.265 55.803 0.080 0.000 0.855 358 Q CB -0.272 28.483 28.738 0.027 0.000 0.911 358 Q HN 0.801 nan 8.270 nan 0.000 0.438 359 F N 0.784 120.757 119.950 0.038 0.000 2.102 359 F HA -0.255 4.292 4.527 0.034 0.000 0.298 359 F C 1.903 177.736 175.800 0.055 0.000 1.105 359 F CA 0.840 58.876 58.000 0.060 0.000 1.239 359 F CB -0.040 38.982 39.000 0.037 0.000 0.991 359 F HN 0.099 nan 8.300 nan 0.000 0.474 360 L N 1.155 122.303 121.223 -0.124 0.000 2.017 360 L HA -0.043 4.314 4.340 0.028 0.000 0.208 360 L C 2.505 179.285 176.870 -0.151 0.000 1.073 360 L CA 2.069 56.783 54.840 -0.211 0.000 0.745 360 L CB -1.584 40.448 42.059 -0.044 0.000 0.894 360 L HN 0.195 nan 8.230 nan 0.000 0.432 361 A N -0.241 122.546 122.820 -0.056 0.000 1.873 361 A HA -0.184 4.153 4.320 0.028 0.000 0.218 361 A C 2.397 179.958 177.584 -0.039 0.000 1.193 361 A CA 2.004 54.025 52.037 -0.027 0.000 0.629 361 A CB -1.766 17.241 19.000 0.011 0.000 0.826 361 A HN 0.556 nan 8.150 nan 0.000 0.447 362 G N -0.839 107.946 108.800 -0.025 0.000 2.469 362 G HA2 -0.174 3.803 3.960 0.028 0.000 0.220 362 G HA3 -0.174 3.803 3.960 0.028 0.000 0.220 362 G C 1.489 176.328 174.900 -0.103 0.000 1.136 362 G CA 1.390 46.479 45.100 -0.018 0.000 0.759 362 G HN 0.382 nan 8.290 nan 0.000 0.562 363 V N 0.730 120.511 119.914 -0.223 0.000 2.453 363 V HA -0.088 4.049 4.120 0.028 0.000 0.247 363 V C 2.942 178.975 176.094 -0.102 0.000 1.048 363 V CA 1.480 63.653 62.300 -0.212 0.000 1.049 363 V CB -0.352 31.250 31.823 -0.367 0.000 0.672 363 V HN 0.210 nan 8.190 nan 0.000 0.457 364 R N -0.013 120.437 120.500 -0.084 0.000 2.105 364 R HA -0.035 4.322 4.340 0.028 0.000 0.239 364 R C 2.046 178.329 176.300 -0.029 0.000 1.135 364 R CA 1.467 57.541 56.100 -0.043 0.000 0.967 364 R CB -0.842 29.439 30.300 -0.032 0.000 0.861 364 R HN 0.455 nan 8.270 nan 0.000 0.442 365 I N -0.450 120.102 120.570 -0.031 0.000 2.500 365 I HA -0.079 4.108 4.170 0.028 0.000 0.252 365 I C 2.183 178.288 176.117 -0.021 0.000 1.142 365 I CA 1.182 62.470 61.300 -0.020 0.000 1.451 365 I CB -0.337 37.655 38.000 -0.014 0.000 1.093 365 I HN 0.211 nan 8.210 nan 0.000 0.430 366 G N 0.242 109.025 108.800 -0.030 0.000 2.430 366 G HA2 -0.033 3.944 3.960 0.028 0.000 0.216 366 G HA3 -0.033 3.944 3.960 0.028 0.000 0.216 366 G C 0.807 175.717 174.900 0.017 0.000 1.146 366 G CA 0.304 45.392 45.100 -0.020 0.000 0.793 366 G HN 0.215 nan 8.290 nan 0.000 0.537 367 V N 2.091 122.002 119.914 -0.005 0.000 2.271 367 V HA 0.236 4.373 4.120 0.028 0.000 0.259 367 V C -1.550 174.549 176.094 0.008 0.000 1.030 367 V CA -1.221 61.071 62.300 -0.013 0.000 0.957 367 V CB 1.426 33.229 31.823 -0.034 0.000 1.186 367 V HN 0.078 nan 8.190 nan 0.000 0.471 368 P HA -0.152 nan 4.420 nan 0.000 0.226 368 P C 1.247 178.553 177.300 0.010 0.000 1.153 368 P CA 0.948 64.054 63.100 0.010 0.000 0.777 368 P CB 0.360 32.065 31.700 0.008 0.000 0.794 369 Q N -0.711 119.102 119.800 0.021 0.000 2.403 369 Q HA 0.231 4.588 4.340 0.028 0.000 0.203 369 Q C 0.449 176.449 176.000 -0.000 0.000 0.932 369 Q CA -0.042 55.769 55.803 0.013 0.000 0.945 369 Q CB -0.137 28.618 28.738 0.029 0.000 1.045 369 Q HN 0.014 nan 8.270 nan 0.000 0.511 370 A N 1.847 124.665 122.820 -0.003 0.000 2.309 370 A HA 0.467 4.804 4.320 0.028 0.000 0.298 370 A C 0.337 177.914 177.584 -0.012 0.000 1.165 370 A CA -0.258 51.772 52.037 -0.012 0.000 0.821 370 A CB 0.814 19.810 19.000 -0.007 0.000 1.102 370 A HN 0.459 nan 8.150 nan 0.000 0.500 371 S N 1.565 117.255 115.700 -0.017 0.000 2.634 371 S HA 0.175 4.662 4.470 0.028 0.000 0.261 371 S C 0.383 174.983 174.600 -0.000 0.000 1.271 371 S CA 0.146 58.340 58.200 -0.011 0.000 0.985 371 S CB 0.446 63.635 63.200 -0.018 0.000 0.968 371 S HN 0.604 nan 8.310 nan 0.000 0.568 372 D N 0.222 120.625 120.400 0.005 0.000 2.106 372 D HA -0.105 4.552 4.640 0.028 0.000 0.191 372 D C 1.775 178.090 176.300 0.027 0.000 0.997 372 D CA 1.174 55.182 54.000 0.014 0.000 0.834 372 D CB -0.534 40.275 40.800 0.015 0.000 0.956 372 D HN 0.413 nan 8.370 nan 0.000 0.448 373 L N 0.706 121.945 121.223 0.026 0.000 2.042 373 L HA -0.139 4.217 4.340 0.028 0.000 0.210 373 L C 2.071 178.978 176.870 0.061 0.000 1.076 373 L CA 1.939 56.806 54.840 0.044 0.000 0.749 373 L CB -0.895 41.183 42.059 0.032 0.000 0.893 373 L HN 0.020 nan 8.230 nan 0.000 0.432 374 A N -0.910 121.927 122.820 0.028 0.000 1.930 374 A HA -0.046 4.291 4.320 0.028 0.000 0.217 374 A C 2.429 180.054 177.584 0.068 0.000 1.175 374 A CA 1.649 53.703 52.037 0.028 0.000 0.627 374 A CB -1.030 17.949 19.000 -0.035 0.000 0.815 374 A HN 0.554 nan 8.150 nan 0.000 0.443 375 A N -0.171 122.676 122.820 0.045 0.000 1.898 375 A HA -0.123 4.214 4.320 0.028 0.000 0.216 375 A C 1.957 179.581 177.584 0.068 0.000 1.181 375 A CA 2.035 54.094 52.037 0.037 0.000 0.620 375 A CB -0.494 18.509 19.000 0.005 0.000 0.819 375 A HN 0.560 nan 8.150 nan 0.000 0.442 376 E N 0.383 120.632 120.200 0.082 0.000 2.058 376 E HA -0.122 4.245 4.350 0.028 0.000 0.194 376 E C 2.002 178.697 176.600 0.158 0.000 0.997 376 E CA 1.771 58.238 56.400 0.112 0.000 0.801 376 E CB -0.466 29.295 29.700 0.101 0.000 0.746 376 E HN 0.471 nan 8.360 nan 0.000 0.450 377 A N 0.051 122.985 122.820 0.191 0.000 1.908 377 A HA -0.164 4.172 4.320 0.028 0.000 0.218 377 A C 2.510 180.213 177.584 0.198 0.000 1.181 377 A CA 1.747 53.944 52.037 0.266 0.000 0.627 377 A CB -0.826 18.450 19.000 0.459 0.000 0.818 377 A HN 0.219 nan 8.150 nan 0.000 0.445 378 V N -0.643 119.409 119.914 0.229 0.000 2.261 378 V HA -0.228 3.909 4.120 0.028 0.000 0.246 378 V C 2.567 178.821 176.094 0.266 0.000 1.047 378 V CA 1.956 64.359 62.300 0.173 0.000 1.015 378 V CB -0.818 31.105 31.823 0.166 0.000 0.642 378 V HN 0.365 nan 8.190 nan 0.000 0.446 379 V N -0.122 119.924 119.914 0.219 0.000 2.287 379 V HA -0.283 3.854 4.120 0.028 0.000 0.248 379 V C 2.312 178.642 176.094 0.395 0.000 1.053 379 V CA 2.242 64.745 62.300 0.339 0.000 1.027 379 V CB -0.494 31.455 31.823 0.210 0.000 0.646 379 V HN 0.454 nan 8.190 nan 0.000 0.447 380 L N -0.834 120.585 121.223 0.325 0.000 2.083 380 L HA -0.213 4.144 4.340 0.028 0.000 0.209 380 L C 2.532 179.608 176.870 0.343 0.000 1.083 380 L CA 2.006 57.103 54.840 0.428 0.000 0.752 380 L CB -0.840 41.408 42.059 0.315 0.000 0.899 380 L HN 0.454 nan 8.230 nan 0.000 0.433 381 H N -0.780 118.302 119.070 0.020 0.000 2.387 381 H HA -0.206 4.369 4.556 0.031 0.000 0.299 381 H C 1.718 176.964 175.328 -0.136 0.000 1.090 381 H CA 1.931 57.843 56.048 -0.226 0.000 1.332 381 H CB 0.053 29.316 29.762 -0.830 0.000 1.386 381 H HN 0.272 nan 8.280 nan 0.000 0.516 382 Y N -0.320 120.030 120.300 0.083 0.000 2.500 382 Y HA 0.151 4.717 4.550 0.027 0.000 0.270 382 Y C 0.854 176.763 175.900 0.015 0.000 1.134 382 Y CA 0.282 58.446 58.100 0.107 0.000 1.293 382 Y CB 0.229 38.872 38.460 0.305 0.000 1.063 382 Y HN 0.024 nan 8.280 nan 0.000 0.534 383 T N 1.470 116.039 114.554 0.026 0.000 2.930 383 T HA -0.069 4.298 4.350 0.028 0.000 0.306 383 T C -0.165 174.186 174.700 -0.581 0.000 1.045 383 T CA -0.132 61.733 62.100 -0.391 0.000 1.134 383 T CB 0.306 68.704 68.868 -0.783 0.000 0.961 383 T HN 0.078 nan 8.240 nan 0.000 0.545 384 D N 1.671 121.696 120.400 -0.625 0.000 2.380 384 D HA 0.096 4.753 4.640 0.028 0.000 0.230 384 D C 0.013 175.954 176.300 -0.597 0.000 1.154 384 D CA -0.553 53.083 54.000 -0.607 0.000 0.859 384 D CB 0.498 40.804 40.800 -0.822 0.000 1.045 384 D HN 0.612 nan 8.370 nan 0.000 0.495 385 W N 3.129 124.327 121.300 -0.170 0.000 2.699 385 W HA 0.064 4.739 4.660 0.024 0.000 0.249 385 W C 2.047 178.455 176.519 -0.185 0.000 1.280 385 W CA -0.276 56.984 57.345 -0.141 0.000 1.345 385 W CB 0.113 29.504 29.460 -0.115 0.000 1.128 385 W HN 0.432 nan 8.180 nan 0.000 0.642 386 L N -1.051 120.075 121.223 -0.162 0.000 2.249 386 L HA 0.008 4.365 4.340 0.028 0.000 0.207 386 L C 0.004 176.478 176.870 -0.661 0.000 1.090 386 L CA 1.108 55.711 54.840 -0.396 0.000 0.802 386 L CB -0.030 41.725 42.059 -0.507 0.000 0.947 386 L HN -0.059 nan 8.230 nan 0.000 0.453 387 H N -1.595 117.384 119.070 -0.151 0.000 2.448 387 H HA 0.224 4.777 4.556 -0.006 0.000 0.237 387 H C -1.988 173.207 175.328 -0.222 0.000 1.391 387 H CA -1.705 54.252 56.048 -0.152 0.000 1.477 387 H CB 0.233 29.914 29.762 -0.135 0.000 1.520 387 H HN -0.057 nan 8.280 nan 0.000 0.502 388 P HA -0.088 nan 4.420 nan 0.000 0.233 388 P C 0.247 177.430 177.300 -0.195 0.000 1.167 388 P CA 0.959 63.884 63.100 -0.291 0.000 0.770 388 P CB 0.629 32.175 31.700 -0.257 0.000 0.837 389 E N -0.870 119.271 120.200 -0.098 0.000 2.810 389 E HA 0.067 4.434 4.350 0.028 0.000 0.214 389 E C -0.416 176.153 176.600 -0.052 0.000 0.980 389 E CA -0.283 56.076 56.400 -0.068 0.000 1.159 389 E CB 0.179 29.855 29.700 -0.040 0.000 1.047 389 E HN 0.078 nan 8.360 nan 0.000 0.484 390 D N 2.594 122.970 120.400 -0.041 0.000 2.358 390 D HA 0.016 4.672 4.640 0.028 0.000 0.258 390 D C -1.292 174.979 176.300 -0.049 0.000 1.223 390 D CA -1.905 52.072 54.000 -0.038 0.000 0.886 390 D CB 1.198 41.979 40.800 -0.031 0.000 1.120 390 D HN -0.101 nan 8.370 nan 0.000 0.482 391 P HA -0.096 nan 4.420 nan 0.000 0.219 391 P C 1.114 178.348 177.300 -0.110 0.000 1.150 391 P CA 0.855 63.895 63.100 -0.100 0.000 0.814 391 P CB 0.175 31.809 31.700 -0.111 0.000 0.787 392 T N -1.169 113.337 114.554 -0.079 0.000 2.777 392 T HA -0.180 4.187 4.350 0.028 0.000 0.266 392 T C 1.815 176.491 174.700 -0.041 0.000 1.040 392 T CA 1.170 63.233 62.100 -0.062 0.000 1.141 392 T CB -0.995 67.853 68.868 -0.033 0.000 0.868 392 T HN 0.281 nan 8.240 nan 0.000 0.444 393 H N 0.952 119.966 119.070 -0.094 0.000 2.357 393 H HA 0.081 4.656 4.556 0.033 0.000 0.301 393 H C 2.238 177.480 175.328 -0.143 0.000 1.082 393 H CA 1.068 57.060 56.048 -0.093 0.000 1.342 393 H CB -0.277 29.424 29.762 -0.101 0.000 1.389 393 H HN 0.287 nan 8.280 nan 0.000 0.511 394 L N 0.519 121.627 121.223 -0.192 0.000 2.046 394 L HA -0.186 4.171 4.340 0.028 0.000 0.208 394 L C 3.070 179.833 176.870 -0.178 0.000 1.077 394 L CA 1.233 55.868 54.840 -0.342 0.000 0.747 394 L CB -0.473 41.432 42.059 -0.258 0.000 0.896 394 L HN 0.200 nan 8.230 nan 0.000 0.432 395 R N 0.663 121.110 120.500 -0.089 0.000 2.103 395 R HA -0.225 4.132 4.340 0.028 0.000 0.234 395 R C 1.829 178.191 176.300 0.103 0.000 1.132 395 R CA 2.474 58.605 56.100 0.052 0.000 0.925 395 R CB -0.662 29.562 30.300 -0.126 0.000 0.842 395 R HN 0.338 nan 8.270 nan 0.000 0.430 396 D N 0.207 120.603 120.400 -0.006 0.000 2.190 396 D HA -0.177 4.480 4.640 0.028 0.000 0.200 396 D C 1.674 177.958 176.300 -0.026 0.000 0.992 396 D CA 1.606 55.612 54.000 0.011 0.000 0.854 396 D CB -0.217 40.555 40.800 -0.047 0.000 0.936 396 D HN 0.464 nan 8.370 nan 0.000 0.462 397 A N 0.438 123.153 122.820 -0.174 0.000 1.929 397 A HA -0.099 4.238 4.320 0.028 0.000 0.216 397 A C 2.113 179.769 177.584 0.119 0.000 1.176 397 A CA 1.199 53.196 52.037 -0.067 0.000 0.628 397 A CB -0.387 18.438 19.000 -0.291 0.000 0.816 397 A HN 0.119 nan 8.150 nan 0.000 0.444 398 M N 0.172 119.907 119.600 0.225 0.000 2.108 398 M HA -0.114 4.383 4.480 0.028 0.000 0.261 398 M C 2.281 178.628 176.300 0.079 0.000 1.066 398 M CA 2.178 57.643 55.300 0.276 0.000 1.107 398 M CB -0.647 32.176 32.600 0.372 0.000 1.356 398 M HN 0.405 nan 8.290 nan 0.000 0.406 399 S N -0.434 115.320 115.700 0.090 0.000 2.355 399 S HA -0.059 4.428 4.470 0.028 0.000 0.222 399 S C 2.052 176.700 174.600 0.080 0.000 1.031 399 S CA 1.468 59.721 58.200 0.087 0.000 0.993 399 S CB -0.593 62.714 63.200 0.179 0.000 0.859 399 S HN 0.622 nan 8.310 nan 0.000 0.453 400 A N 0.828 123.712 122.820 0.106 0.000 1.933 400 A HA 0.013 4.350 4.320 0.028 0.000 0.218 400 A C 2.345 179.969 177.584 0.066 0.000 1.175 400 A CA 1.698 53.835 52.037 0.166 0.000 0.628 400 A CB -1.049 18.153 19.000 0.336 0.000 0.814 400 A HN 0.456 nan 8.150 nan 0.000 0.444 401 V N -0.403 119.414 119.914 -0.162 0.000 2.287 401 V HA -0.248 3.888 4.120 0.028 0.000 0.248 401 V C 2.591 178.606 176.094 -0.132 0.000 1.053 401 V CA 2.128 64.280 62.300 -0.246 0.000 1.027 401 V CB -0.706 30.971 31.823 -0.244 0.000 0.646 401 V HN 0.390 nan 8.190 nan 0.000 0.447 402 V N 0.622 120.474 119.914 -0.104 0.000 2.307 402 V HA -0.151 3.986 4.120 0.028 0.000 0.245 402 V C 2.618 178.582 176.094 -0.217 0.000 1.045 402 V CA 2.176 64.386 62.300 -0.149 0.000 1.024 402 V CB -1.392 30.374 31.823 -0.094 0.000 0.651 402 V HN 0.605 nan 8.190 nan 0.000 0.449 403 G N -0.273 108.468 108.800 -0.098 0.000 2.421 403 G HA2 -0.255 3.722 3.960 0.028 0.000 0.216 403 G HA3 -0.255 3.722 3.960 0.028 0.000 0.216 403 G C 1.238 176.054 174.900 -0.140 0.000 1.171 403 G CA 1.088 46.143 45.100 -0.075 0.000 0.775 403 G HN 0.494 nan 8.290 nan 0.000 0.543 404 D N -0.174 120.171 120.400 -0.093 0.000 2.104 404 D HA -0.116 4.541 4.640 0.028 0.000 0.194 404 D C 2.129 178.117 176.300 -0.520 0.000 0.994 404 D CA 1.369 55.286 54.000 -0.139 0.000 0.830 404 D CB -0.498 40.408 40.800 0.177 0.000 0.959 404 D HN 0.396 nan 8.370 nan 0.000 0.452 405 H N 0.631 119.131 119.070 -0.949 0.000 2.389 405 H HA 0.037 4.609 4.556 0.028 0.000 0.299 405 H C 1.400 176.319 175.328 -0.682 0.000 1.081 405 H CA 1.539 56.834 56.048 -1.254 0.000 1.345 405 H CB 0.092 29.067 29.762 -1.310 0.000 1.393 405 H HN 0.032 nan 8.280 nan 0.000 0.520 406 N N -0.964 117.306 118.700 -0.717 0.000 2.414 406 N HA 0.028 4.784 4.740 0.028 0.000 0.177 406 N C 1.174 176.446 175.510 -0.397 0.000 1.062 406 N CA 0.939 53.507 53.050 -0.803 0.000 0.890 406 N CB 1.227 38.709 38.487 -1.675 0.000 1.070 406 N HN 0.240 nan 8.380 nan 0.000 0.454 407 V N -0.124 119.612 119.914 -0.297 0.000 3.264 407 V HA 0.054 4.190 4.120 0.028 0.000 0.217 407 V C 2.220 178.272 176.094 -0.070 0.000 1.236 407 V CA 0.215 62.470 62.300 -0.075 0.000 1.287 407 V CB -0.295 31.551 31.823 0.038 0.000 1.241 407 V HN -0.182 nan 8.190 nan 0.000 0.518 408 V N 0.188 120.063 119.914 -0.065 0.000 2.255 408 V HA -0.310 3.827 4.120 0.028 0.000 0.247 408 V C 2.495 178.556 176.094 -0.056 0.000 1.051 408 V CA 2.593 64.866 62.300 -0.044 0.000 1.018 408 V CB -0.968 30.857 31.823 0.003 0.000 0.641 408 V HN 0.678 nan 8.190 nan 0.000 0.445 409 c N -0.363 118.199 118.600 -0.064 0.000 2.457 409 c HA 0.023 4.610 4.570 0.028 0.000 0.278 409 c C 0.543 174.603 174.090 -0.049 0.000 1.309 409 c CA 0.816 57.137 56.329 -0.014 0.000 1.735 409 c CB -1.781 40.764 42.510 0.058 0.000 1.992 409 c HN 0.465 nan 8.230 nan 0.000 0.493 410 P HA -0.049 nan 4.420 nan 0.000 0.217 410 P C 1.765 179.003 177.300 -0.102 0.000 1.150 410 P CA 1.236 64.266 63.100 -0.116 0.000 0.832 410 P CB -0.167 31.431 31.700 -0.170 0.000 0.787 411 V N 0.246 120.101 119.914 -0.098 0.000 2.343 411 V HA -0.255 3.882 4.120 0.028 0.000 0.247 411 V C 2.446 178.443 176.094 -0.162 0.000 1.051 411 V CA 2.279 64.505 62.300 -0.123 0.000 1.036 411 V CB -1.647 30.102 31.823 -0.125 0.000 0.654 411 V HN 0.100 nan 8.190 nan 0.000 0.451 412 A N -0.591 122.153 122.820 -0.126 0.000 1.930 412 A HA -0.294 4.042 4.320 0.028 0.000 0.217 412 A C 2.199 179.746 177.584 -0.063 0.000 1.175 412 A CA 2.085 54.053 52.037 -0.114 0.000 0.627 412 A CB -0.480 18.508 19.000 -0.019 0.000 0.815 412 A HN 0.612 nan 8.150 nan 0.000 0.443 413 Q N -0.694 119.083 119.800 -0.038 0.000 2.020 413 Q HA -0.162 4.195 4.340 0.028 0.000 0.202 413 Q C 1.930 177.903 176.000 -0.045 0.000 0.982 413 Q CA 1.843 57.636 55.803 -0.016 0.000 0.838 413 Q CB -0.390 28.338 28.738 -0.017 0.000 0.899 413 Q HN 0.491 nan 8.270 nan 0.000 0.423 414 L N 0.540 121.710 121.223 -0.089 0.000 2.012 414 L HA -0.142 4.215 4.340 0.028 0.000 0.210 414 L C 2.260 179.050 176.870 -0.134 0.000 1.073 414 L CA 2.405 57.176 54.840 -0.115 0.000 0.748 414 L CB -1.092 40.887 42.059 -0.133 0.000 0.891 414 L HN 0.335 nan 8.230 nan 0.000 0.431 415 A N -0.577 122.128 122.820 -0.191 0.000 1.883 415 A HA -0.146 4.191 4.320 0.028 0.000 0.217 415 A C 2.348 179.915 177.584 -0.029 0.000 1.186 415 A CA 1.867 53.737 52.037 -0.278 0.000 0.624 415 A CB -1.681 16.865 19.000 -0.756 0.000 0.822 415 A HN 0.565 nan 8.150 nan 0.000 0.444 416 G N -0.638 108.207 108.800 0.075 0.000 2.421 416 G HA2 -0.211 3.766 3.960 0.028 0.000 0.216 416 G HA3 -0.211 3.766 3.960 0.028 0.000 0.216 416 G C 1.676 176.644 174.900 0.113 0.000 1.171 416 G CA 0.835 46.060 45.100 0.207 0.000 0.775 416 G HN 0.432 nan 8.290 nan 0.000 0.543 417 R N 0.374 120.905 120.500 0.051 0.000 2.073 417 R HA 0.071 4.428 4.340 0.028 0.000 0.234 417 R C 2.678 179.005 176.300 0.046 0.000 1.134 417 R CA 0.658 56.790 56.100 0.053 0.000 0.952 417 R CB -1.271 29.053 30.300 0.040 0.000 0.850 417 R HN 0.403 nan 8.270 nan 0.000 0.433 418 L N 0.503 121.687 121.223 -0.066 0.000 2.042 418 L HA -0.146 4.211 4.340 0.028 0.000 0.210 418 L C 2.698 179.581 176.870 0.023 0.000 1.076 418 L CA 1.494 56.249 54.840 -0.143 0.000 0.749 418 L CB -0.760 41.133 42.059 -0.277 0.000 0.893 418 L HN 0.165 nan 8.230 nan 0.000 0.432 419 A N 0.108 122.965 122.820 0.061 0.000 1.877 419 A HA -0.141 4.196 4.320 0.028 0.000 0.216 419 A C 2.543 180.178 177.584 0.085 0.000 1.186 419 A CA 1.704 53.796 52.037 0.092 0.000 0.620 419 A CB -0.740 18.359 19.000 0.164 0.000 0.822 419 A HN 0.391 nan 8.150 nan 0.000 0.443 420 A N -1.114 121.761 122.820 0.091 0.000 1.972 420 A HA -0.145 4.192 4.320 0.028 0.000 0.219 420 A C 1.871 179.511 177.584 0.093 0.000 1.169 420 A CA 1.664 53.749 52.037 0.080 0.000 0.635 420 A CB -0.343 18.703 19.000 0.078 0.000 0.810 420 A HN 0.585 nan 8.150 nan 0.000 0.446 421 Q N -1.687 118.196 119.800 0.139 0.000 2.217 421 Q HA 0.392 4.749 4.340 0.028 0.000 0.226 421 Q C 0.876 176.991 176.000 0.191 0.000 0.875 421 Q CA 0.498 56.407 55.803 0.176 0.000 0.974 421 Q CB 0.377 29.272 28.738 0.261 0.000 1.079 421 Q HN 0.799 nan 8.270 nan 0.000 0.463 422 G N -0.702 108.180 108.800 0.138 0.000 2.238 422 G HA2 -0.251 3.725 3.960 0.028 0.000 0.217 422 G HA3 -0.251 3.725 3.960 0.028 0.000 0.217 422 G C 0.358 175.327 174.900 0.116 0.000 0.996 422 G CA -0.286 44.881 45.100 0.112 0.000 0.632 422 G HN 0.546 nan 8.290 nan 0.000 0.503 423 A N 0.347 123.251 122.820 0.141 0.000 2.406 423 A HA 0.642 4.979 4.320 0.028 0.000 0.243 423 A C 0.738 178.356 177.584 0.057 0.000 1.082 423 A CA 0.759 52.858 52.037 0.104 0.000 0.786 423 A CB 0.259 19.291 19.000 0.054 0.000 1.029 423 A HN 0.783 nan 8.150 nan 0.000 0.495 424 R N 1.112 121.648 120.500 0.059 0.000 2.265 424 R HA 0.532 4.889 4.340 0.028 0.000 0.319 424 R C -1.564 174.735 176.300 -0.002 0.000 1.006 424 R CA -0.216 55.890 56.100 0.010 0.000 0.880 424 R CB 0.612 30.949 30.300 0.061 0.000 1.077 424 R HN 0.482 nan 8.270 nan 0.000 0.454 425 V N 5.343 125.174 119.914 -0.139 0.000 2.656 425 V HA 0.454 4.590 4.120 0.028 0.000 0.307 425 V C -1.286 174.641 176.094 -0.279 0.000 1.051 425 V CA -0.824 61.424 62.300 -0.086 0.000 0.893 425 V CB 1.755 33.583 31.823 0.009 0.000 0.999 425 V HN 0.682 nan 8.190 nan 0.000 0.426 426 Y N 1.866 122.148 120.300 -0.030 0.000 2.406 426 Y HA 0.805 5.372 4.550 0.028 0.000 0.340 426 Y C 0.255 176.255 175.900 0.167 0.000 0.975 426 Y CA -0.476 57.607 58.100 -0.029 0.000 1.056 426 Y CB 2.331 40.436 38.460 -0.591 0.000 1.210 426 Y HN 0.821 nan 8.280 nan 0.000 0.448 427 A N 2.915 126.127 122.820 0.653 0.000 2.423 427 A HA 0.920 5.257 4.320 0.028 0.000 0.304 427 A C -1.911 176.079 177.584 0.677 0.000 1.104 427 A CA -0.734 51.576 52.037 0.455 0.000 0.757 427 A CB 1.385 20.459 19.000 0.123 0.000 1.313 427 A HN 0.770 nan 8.150 nan 0.000 0.423 428 Y N -1.164 119.372 120.300 0.392 0.000 2.609 428 Y HA 0.776 5.342 4.550 0.027 0.000 0.336 428 Y C -1.288 174.788 175.900 0.293 0.000 1.129 428 Y CA -1.396 56.889 58.100 0.309 0.000 1.040 428 Y CB 1.131 39.770 38.460 0.299 0.000 1.310 428 Y HN 0.737 nan 8.280 nan 0.000 0.460 429 I N 3.113 123.997 120.570 0.524 0.000 2.509 429 I HA 0.532 4.719 4.170 0.028 0.000 0.293 429 I C -1.813 174.651 176.117 0.578 0.000 1.020 429 I CA -1.120 60.456 61.300 0.459 0.000 1.088 429 I CB 1.354 39.557 38.000 0.338 0.000 1.267 429 I HN 0.733 nan 8.210 nan 0.000 0.430 430 F N 6.947 127.172 119.950 0.459 0.000 2.385 430 F HA 0.424 4.968 4.527 0.029 0.000 0.360 430 F C 0.450 176.402 175.800 0.254 0.000 1.122 430 F CA -0.042 58.177 58.000 0.365 0.000 1.090 430 F CB 1.021 40.256 39.000 0.392 0.000 1.150 430 F HN 0.544 nan 8.300 nan 0.000 0.472 431 E N 2.993 123.024 120.200 -0.282 0.000 2.630 431 E HA -0.011 4.356 4.350 0.028 0.000 0.218 431 E C -0.821 175.637 176.600 -0.236 0.000 0.977 431 E CA -0.154 56.169 56.400 -0.128 0.000 1.038 431 E CB 0.309 29.976 29.700 -0.055 0.000 1.051 431 E HN 0.518 nan 8.360 nan 0.000 0.487 432 H N 1.401 120.072 119.070 -0.665 0.000 2.552 432 H HA 0.233 4.805 4.556 0.028 0.000 0.311 432 H C -0.443 174.841 175.328 -0.072 0.000 1.071 432 H CA -0.474 55.289 56.048 -0.475 0.000 1.307 432 H CB 0.512 29.792 29.762 -0.803 0.000 1.416 432 H HN -0.151 nan 8.280 nan 0.000 0.464 433 R N 4.166 124.330 120.500 -0.560 0.000 2.216 433 R HA 0.445 4.802 4.340 0.028 0.000 0.332 433 R C -0.548 175.484 176.300 -0.447 0.000 1.056 433 R CA -0.581 55.342 56.100 -0.294 0.000 0.901 433 R CB 0.276 30.478 30.300 -0.163 0.000 1.039 433 R HN 0.818 nan 8.270 nan 0.000 0.456 434 A N 3.181 126.054 122.820 0.088 0.000 2.546 434 A HA -0.015 4.322 4.320 0.028 0.000 0.243 434 A C 1.381 179.056 177.584 0.152 0.000 1.063 434 A CA 0.564 52.844 52.037 0.406 0.000 0.757 434 A CB 0.279 19.622 19.000 0.571 0.000 0.991 434 A HN 1.014 nan 8.150 nan 0.000 0.503 435 S N 1.677 117.500 115.700 0.205 0.000 2.440 435 S HA -0.180 4.307 4.470 0.028 0.000 0.238 435 S C 1.409 175.986 174.600 -0.039 0.000 1.010 435 S CA 1.731 59.973 58.200 0.070 0.000 0.972 435 S CB -0.836 62.428 63.200 0.106 0.000 0.774 435 S HN 1.267 nan 8.310 nan 0.000 0.501 436 T N -1.151 113.339 114.554 -0.106 0.000 3.081 436 T HA 0.319 4.685 4.350 0.028 0.000 0.250 436 T C 0.475 175.085 174.700 -0.150 0.000 1.100 436 T CA -0.507 61.462 62.100 -0.219 0.000 1.038 436 T CB -0.437 68.147 68.868 -0.474 0.000 0.962 436 T HN 0.221 nan 8.240 nan 0.000 0.516 437 L N 4.208 125.386 121.223 -0.074 0.000 2.525 437 L HA 0.259 4.616 4.340 0.028 0.000 0.278 437 L C 1.468 178.264 176.870 -0.123 0.000 1.218 437 L CA 0.786 55.570 54.840 -0.093 0.000 0.878 437 L CB 0.830 42.850 42.059 -0.065 0.000 1.127 437 L HN 0.475 nan 8.230 nan 0.000 0.492 438 T N -0.634 113.795 114.554 -0.209 0.000 3.054 438 T HA 0.137 4.504 4.350 0.028 0.000 0.255 438 T C 0.291 174.944 174.700 -0.078 0.000 1.035 438 T CA -0.511 61.464 62.100 -0.209 0.000 0.941 438 T CB -0.325 68.301 68.868 -0.403 0.000 1.026 438 T HN 0.381 nan 8.240 nan 0.000 0.533 439 W N 3.428 124.732 121.300 0.007 0.000 2.184 439 W HA 0.434 5.110 4.660 0.027 0.000 0.338 439 W C -1.952 174.472 176.519 -0.159 0.000 1.257 439 W CA -2.199 55.120 57.345 -0.043 0.000 1.243 439 W CB 0.306 29.660 29.460 -0.177 0.000 1.122 439 W HN -0.011 nan 8.180 nan 0.000 0.585 440 P HA 0.009 nan 4.420 nan 0.000 0.273 440 P C 0.488 177.706 177.300 -0.136 0.000 1.250 440 P CA -0.016 63.042 63.100 -0.070 0.000 0.793 440 P CB 0.899 32.561 31.700 -0.062 0.000 1.011 441 L N -0.073 121.137 121.223 -0.021 0.000 2.131 441 L HA -0.107 4.250 4.340 0.028 0.000 0.210 441 L C 2.501 179.399 176.870 0.046 0.000 1.092 441 L CA 1.312 56.161 54.840 0.015 0.000 0.759 441 L CB -0.847 41.252 42.059 0.066 0.000 0.903 441 L HN 0.599 nan 8.230 nan 0.000 0.435 442 W N -1.091 120.250 121.300 0.068 0.000 2.525 442 W HA -0.134 4.542 4.660 0.027 0.000 0.259 442 W C 1.576 178.145 176.519 0.084 0.000 1.253 442 W CA 0.409 57.798 57.345 0.072 0.000 1.262 442 W CB -0.742 28.764 29.460 0.077 0.000 1.122 442 W HN 0.201 nan 8.180 nan 0.000 0.607 443 M N 1.308 120.602 119.600 -0.510 0.000 2.595 443 M HA 0.149 4.646 4.480 0.028 0.000 0.248 443 M C 1.888 178.104 176.300 -0.140 0.000 1.119 443 M CA 1.277 56.275 55.300 -0.504 0.000 1.079 443 M CB -0.523 31.596 32.600 -0.800 0.000 1.472 443 M HN 0.166 nan 8.290 nan 0.000 0.501 444 G N 0.849 109.620 108.800 -0.049 0.000 2.629 444 G HA2 -0.300 3.677 3.960 0.028 0.000 0.313 444 G HA3 -0.300 3.677 3.960 0.028 0.000 0.313 444 G C -0.042 174.867 174.900 0.015 0.000 1.217 444 G CA 0.084 45.195 45.100 0.017 0.000 0.994 444 G HN 0.265 nan 8.290 nan 0.000 0.549 445 V N 3.491 123.457 119.914 0.086 0.000 2.275 445 V HA 0.498 4.635 4.120 0.028 0.000 0.272 445 V C -1.933 174.286 176.094 0.208 0.000 1.028 445 V CA -0.908 61.496 62.300 0.173 0.000 0.810 445 V CB 1.456 33.437 31.823 0.263 0.000 1.043 445 V HN 0.512 nan 8.190 nan 0.000 0.453 446 P HA 0.216 nan 4.420 nan 0.000 0.276 446 P C -0.332 177.189 177.300 0.367 0.000 1.252 446 P CA -0.603 62.608 63.100 0.185 0.000 0.802 446 P CB 0.390 32.063 31.700 -0.045 0.000 1.035 447 H N 0.575 119.736 119.070 0.151 0.000 3.217 447 H HA 0.239 4.812 4.556 0.028 0.000 0.272 447 H C 1.475 176.790 175.328 -0.021 0.000 0.929 447 H CA 2.365 58.475 56.048 0.104 0.000 1.425 447 H CB -0.981 28.834 29.762 0.088 0.000 1.505 447 H HN 0.718 nan 8.280 nan 0.000 0.542 448 G N 3.589 112.256 108.800 -0.222 0.000 2.253 448 G HA2 -0.280 3.697 3.960 0.028 0.000 0.209 448 G HA3 -0.280 3.697 3.960 0.028 0.000 0.209 448 G C 0.575 175.403 174.900 -0.118 0.000 0.997 448 G CA 0.162 45.099 45.100 -0.271 0.000 0.640 448 G HN 0.608 nan 8.290 nan 0.000 0.496 449 Y N 1.814 122.252 120.300 0.229 0.000 2.462 449 Y HA 0.240 4.808 4.550 0.029 0.000 0.293 449 Y C 2.337 178.391 175.900 0.257 0.000 1.195 449 Y CA 0.977 59.255 58.100 0.297 0.000 1.276 449 Y CB 0.433 39.091 38.460 0.330 0.000 1.082 449 Y HN 0.508 nan 8.280 nan 0.000 0.514 450 E N 0.090 120.297 120.200 0.010 0.000 2.307 450 E HA -0.054 4.313 4.350 0.028 0.000 0.195 450 E C 1.666 178.169 176.600 -0.161 0.000 0.975 450 E CA 0.586 56.674 56.400 -0.520 0.000 0.878 450 E CB -0.430 28.592 29.700 -1.131 0.000 0.845 450 E HN 0.533 nan 8.360 nan 0.000 0.488 451 I N 2.970 123.529 120.570 -0.018 0.000 2.151 451 I HA -0.341 3.846 4.170 0.028 0.000 0.243 451 I C 2.738 178.859 176.117 0.006 0.000 1.080 451 I CA 2.310 63.636 61.300 0.043 0.000 1.339 451 I CB -0.543 37.560 38.000 0.171 0.000 1.039 451 I HN 0.245 nan 8.210 nan 0.000 0.409 452 E N 1.062 121.221 120.200 -0.069 0.000 2.160 452 E HA -0.241 4.126 4.350 0.028 0.000 0.195 452 E C 2.091 178.460 176.600 -0.385 0.000 0.991 452 E CA 1.504 57.761 56.400 -0.239 0.000 0.810 452 E CB -0.599 28.936 29.700 -0.275 0.000 0.742 452 E HN 0.451 nan 8.360 nan 0.000 0.466 453 F N 1.372 121.222 119.950 -0.168 0.000 2.163 453 F HA -0.075 4.470 4.527 0.029 0.000 0.297 453 F C 2.365 177.937 175.800 -0.381 0.000 1.094 453 F CA 0.650 58.493 58.000 -0.261 0.000 1.290 453 F CB -0.161 38.762 39.000 -0.129 0.000 1.017 453 F HN -0.010 nan 8.300 nan 0.000 0.483 454 I N -0.942 119.464 120.570 -0.273 0.000 2.315 454 I HA -0.266 3.921 4.170 0.028 0.000 0.248 454 I C 2.078 177.943 176.117 -0.420 0.000 1.117 454 I CA 1.580 62.559 61.300 -0.534 0.000 1.404 454 I CB -1.443 36.087 38.000 -0.784 0.000 1.071 454 I HN 0.088 nan 8.210 nan 0.000 0.419 455 F N 1.022 120.787 119.950 -0.308 0.000 2.748 455 F HA 0.176 4.719 4.527 0.028 0.000 0.299 455 F C 1.885 177.566 175.800 -0.198 0.000 1.154 455 F CA 0.889 58.752 58.000 -0.228 0.000 1.446 455 F CB -0.214 38.633 39.000 -0.256 0.000 1.112 455 F HN 0.303 nan 8.300 nan 0.000 0.584 456 G N -0.215 108.447 108.800 -0.230 0.000 2.132 456 G HA2 -0.296 3.681 3.960 0.028 0.000 0.234 456 G HA3 -0.296 3.681 3.960 0.028 0.000 0.234 456 G C 0.978 175.292 174.900 -0.976 0.000 0.989 456 G CA 0.298 45.140 45.100 -0.430 0.000 0.676 456 G HN 0.283 nan 8.290 nan 0.000 0.522 457 L N 0.612 121.319 121.223 -0.859 0.000 2.079 457 L HA 0.037 4.394 4.340 0.028 0.000 0.210 457 L C 0.312 176.630 176.870 -0.920 0.000 1.081 457 L CA 2.750 57.014 54.840 -0.960 0.000 0.752 457 L CB -0.953 40.797 42.059 -0.515 0.000 0.896 457 L HN 0.202 nan 8.230 nan 0.000 0.433 458 P HA -0.126 nan 4.420 nan 0.000 0.231 458 P C 1.496 178.523 177.300 -0.457 0.000 1.158 458 P CA 0.805 63.279 63.100 -1.043 0.000 0.763 458 P CB 0.083 31.162 31.700 -1.035 0.000 0.805 459 L N -1.243 119.665 121.223 -0.526 0.000 2.395 459 L HA 0.025 4.382 4.340 0.028 0.000 0.218 459 L C 0.937 177.712 176.870 -0.158 0.000 1.130 459 L CA 1.045 55.704 54.840 -0.301 0.000 0.826 459 L CB -0.957 40.937 42.059 -0.276 0.000 0.941 459 L HN -0.060 nan 8.230 nan 0.000 0.451 460 D N 0.138 120.407 120.400 -0.218 0.000 2.338 460 D HA 0.050 4.707 4.640 0.028 0.000 0.255 460 D C -1.623 174.689 176.300 0.019 0.000 1.237 460 D CA -1.607 52.400 54.000 0.011 0.000 0.883 460 D CB 1.634 42.469 40.800 0.059 0.000 1.087 460 D HN 0.026 nan 8.370 nan 0.000 0.485 461 P HA -0.087 nan 4.420 nan 0.000 0.223 461 P C 1.230 178.548 177.300 0.030 0.000 1.151 461 P CA 0.618 63.737 63.100 0.032 0.000 0.787 461 P CB 0.119 31.834 31.700 0.026 0.000 0.788 462 S N -0.809 114.907 115.700 0.027 0.000 2.515 462 S HA -0.013 4.474 4.470 0.028 0.000 0.231 462 S C 1.602 176.198 174.600 -0.006 0.000 0.987 462 S CA 0.563 58.768 58.200 0.009 0.000 0.936 462 S CB -1.376 61.829 63.200 0.008 0.000 0.766 462 S HN 0.107 nan 8.310 nan 0.000 0.528 463 L N 1.142 122.375 121.223 0.016 0.000 2.591 463 L HA 0.222 4.579 4.340 0.028 0.000 0.228 463 L C 0.180 176.986 176.870 -0.107 0.000 1.133 463 L CA -0.156 54.671 54.840 -0.021 0.000 0.880 463 L CB -0.764 41.341 42.059 0.077 0.000 1.033 463 L HN 0.273 nan 8.230 nan 0.000 0.450 464 N N -0.603 118.075 118.700 -0.038 0.000 2.740 464 N HA -0.235 4.522 4.740 0.028 0.000 0.248 464 N C -0.513 174.935 175.510 -0.104 0.000 1.062 464 N CA 0.788 53.801 53.050 -0.063 0.000 0.704 464 N CB -1.493 36.937 38.487 -0.096 0.000 0.968 464 N HN 0.319 nan 8.380 nan 0.000 0.547 465 Y N 0.783 121.064 120.300 -0.031 0.000 2.314 465 Y HA 0.141 4.707 4.550 0.028 0.000 0.334 465 Y C 1.963 177.879 175.900 0.027 0.000 1.266 465 Y CA 0.089 58.194 58.100 0.007 0.000 1.391 465 Y CB 0.547 38.999 38.460 -0.012 0.000 1.306 465 Y HN 0.091 nan 8.280 nan 0.000 0.558 466 T N -2.720 111.974 114.554 0.233 0.000 2.766 466 T HA 0.044 4.411 4.350 0.028 0.000 0.295 466 T C 1.105 175.882 174.700 0.129 0.000 1.024 466 T CA -0.274 61.912 62.100 0.143 0.000 1.018 466 T CB 0.778 69.719 68.868 0.123 0.000 1.002 466 T HN 0.714 nan 8.240 nan 0.000 0.532 467 T N 0.765 115.366 114.554 0.078 0.000 2.746 467 T HA -0.076 4.291 4.350 0.028 0.000 0.267 467 T C 1.865 176.597 174.700 0.054 0.000 1.039 467 T CA 1.726 63.859 62.100 0.055 0.000 1.142 467 T CB -0.395 68.494 68.868 0.035 0.000 0.866 467 T HN 0.761 nan 8.240 nan 0.000 0.444 468 E N 1.011 121.240 120.200 0.047 0.000 2.085 468 E HA -0.149 4.217 4.350 0.028 0.000 0.194 468 E C 2.312 178.946 176.600 0.056 0.000 0.994 468 E CA 1.118 57.531 56.400 0.022 0.000 0.801 468 E CB -0.102 29.583 29.700 -0.024 0.000 0.743 468 E HN 0.585 nan 8.360 nan 0.000 0.453 469 E N 0.350 120.619 120.200 0.115 0.000 2.153 469 E HA -0.181 4.186 4.350 0.028 0.000 0.194 469 E C 2.133 178.854 176.600 0.202 0.000 0.988 469 E CA 0.495 57.049 56.400 0.256 0.000 0.811 469 E CB -0.023 29.948 29.700 0.452 0.000 0.746 469 E HN 0.104 nan 8.360 nan 0.000 0.466 470 R N 0.829 121.382 120.500 0.088 0.000 2.075 470 R HA -0.108 4.248 4.340 0.028 0.000 0.232 470 R C 2.266 178.571 176.300 0.007 0.000 1.126 470 R CA 1.003 57.099 56.100 -0.005 0.000 0.963 470 R CB -0.164 30.130 30.300 -0.010 0.000 0.858 470 R HN 0.151 nan 8.270 nan 0.000 0.435 471 I N 0.354 120.949 120.570 0.042 0.000 2.226 471 I HA -0.290 3.897 4.170 0.028 0.000 0.245 471 I C 2.190 178.353 176.117 0.077 0.000 1.100 471 I CA 1.073 62.397 61.300 0.039 0.000 1.374 471 I CB -0.314 37.709 38.000 0.038 0.000 1.057 471 I HN 0.166 nan 8.210 nan 0.000 0.413 472 F N 1.788 121.701 119.950 -0.061 0.000 2.134 472 F HA -0.195 4.350 4.527 0.030 0.000 0.299 472 F C 2.410 178.198 175.800 -0.021 0.000 1.097 472 F CA 1.238 59.196 58.000 -0.070 0.000 1.264 472 F CB -0.580 38.332 39.000 -0.147 0.000 1.001 472 F HN 0.013 nan 8.300 nan 0.000 0.479 473 A N -0.076 122.702 122.820 -0.071 0.000 1.933 473 A HA -0.218 4.118 4.320 0.028 0.000 0.218 473 A C 2.180 179.636 177.584 -0.214 0.000 1.175 473 A CA 1.732 53.653 52.037 -0.194 0.000 0.628 473 A CB -0.819 18.075 19.000 -0.176 0.000 0.814 473 A HN 0.592 nan 8.150 nan 0.000 0.444 474 Q N -0.814 118.900 119.800 -0.142 0.000 2.084 474 Q HA -0.156 4.201 4.340 0.028 0.000 0.202 474 Q C 2.405 178.298 176.000 -0.178 0.000 0.978 474 Q CA 1.457 57.183 55.803 -0.128 0.000 0.844 474 Q CB -0.161 28.531 28.738 -0.077 0.000 0.898 474 Q HN 0.620 nan 8.270 nan 0.000 0.426 475 R N 0.256 120.629 120.500 -0.211 0.000 2.083 475 R HA -0.140 4.217 4.340 0.028 0.000 0.237 475 R C 2.317 178.298 176.300 -0.532 0.000 1.137 475 R CA 1.286 57.158 56.100 -0.379 0.000 0.951 475 R CB -0.336 29.810 30.300 -0.256 0.000 0.851 475 R HN 0.248 nan 8.270 nan 0.000 0.434 476 L N -0.083 120.926 121.223 -0.357 0.000 2.093 476 L HA -0.153 4.204 4.340 0.028 0.000 0.208 476 L C 2.498 179.326 176.870 -0.070 0.000 1.085 476 L CA 1.181 55.919 54.840 -0.170 0.000 0.755 476 L CB -0.296 41.529 42.059 -0.390 0.000 0.904 476 L HN 0.249 nan 8.230 nan 0.000 0.435 477 M N -0.509 118.992 119.600 -0.164 0.000 2.229 477 M HA -0.199 4.298 4.480 0.028 0.000 0.264 477 M C 2.269 178.572 176.300 0.006 0.000 1.063 477 M CA 1.482 56.725 55.300 -0.094 0.000 1.114 477 M CB -0.161 32.368 32.600 -0.120 0.000 1.387 477 M HN -0.002 nan 8.290 nan 0.000 0.420 478 K N -0.115 120.246 120.400 -0.065 0.000 2.103 478 K HA -0.115 4.221 4.320 0.028 0.000 0.204 478 K C 1.525 178.180 176.600 0.091 0.000 1.052 478 K CA 1.582 57.843 56.287 -0.044 0.000 0.945 478 K CB -0.240 32.174 32.500 -0.143 0.000 0.722 478 K HN 0.209 nan 8.250 nan 0.000 0.443 479 Y N -0.746 119.680 120.300 0.210 0.000 2.145 479 Y HA -0.196 4.371 4.550 0.028 0.000 0.286 479 Y C 2.260 178.277 175.900 0.194 0.000 1.145 479 Y CA 0.964 59.208 58.100 0.240 0.000 1.148 479 Y CB -0.838 37.896 38.460 0.456 0.000 0.981 479 Y HN 0.179 nan 8.280 nan 0.000 0.507 480 W N 0.607 121.983 121.300 0.126 0.000 2.358 480 W HA -0.217 4.459 4.660 0.027 0.000 0.303 480 W C 2.377 178.902 176.519 0.010 0.000 1.208 480 W CA 2.218 59.578 57.345 0.025 0.000 1.274 480 W CB -0.556 28.856 29.460 -0.080 0.000 1.138 480 W HN 0.247 nan 8.180 nan 0.000 0.515 481 T N -2.841 111.820 114.554 0.179 0.000 3.014 481 T HA -0.075 4.291 4.350 0.028 0.000 0.263 481 T C 1.411 176.136 174.700 0.043 0.000 1.078 481 T CA 0.877 63.016 62.100 0.064 0.000 1.135 481 T CB -0.466 68.421 68.868 0.031 0.000 0.895 481 T HN -0.115 nan 8.240 nan 0.000 0.480 482 N N 1.070 119.814 118.700 0.074 0.000 2.084 482 N HA -0.003 4.754 4.740 0.028 0.000 0.190 482 N C 1.338 176.843 175.510 -0.009 0.000 1.030 482 N CA 1.085 54.157 53.050 0.037 0.000 0.849 482 N CB -0.686 37.845 38.487 0.073 0.000 1.012 482 N HN 0.481 nan 8.380 nan 0.000 0.423 483 F N 1.640 121.490 119.950 -0.166 0.000 2.102 483 F HA -0.063 4.481 4.527 0.029 0.000 0.298 483 F C 2.166 177.870 175.800 -0.160 0.000 1.105 483 F CA 1.361 59.211 58.000 -0.250 0.000 1.239 483 F CB -0.506 38.255 39.000 -0.398 0.000 0.991 483 F HN 0.034 nan 8.300 nan 0.000 0.474 484 A N 0.457 123.195 122.820 -0.137 0.000 1.908 484 A HA -0.236 4.101 4.320 0.028 0.000 0.218 484 A C 2.400 179.860 177.584 -0.205 0.000 1.181 484 A CA 1.908 53.831 52.037 -0.190 0.000 0.627 484 A CB -0.865 18.094 19.000 -0.069 0.000 0.818 484 A HN 0.481 nan 8.150 nan 0.000 0.445 485 R N -1.193 119.222 120.500 -0.143 0.000 2.115 485 R HA -0.081 4.276 4.340 0.028 0.000 0.226 485 R C 1.717 177.931 176.300 -0.144 0.000 1.100 485 R CA 1.855 57.889 56.100 -0.112 0.000 0.980 485 R CB 0.006 30.270 30.300 -0.061 0.000 0.875 485 R HN 0.703 nan 8.270 nan 0.000 0.445 486 T N -6.567 107.872 114.554 -0.191 0.000 3.046 486 T HA 0.234 4.601 4.350 0.028 0.000 0.270 486 T C 1.003 175.576 174.700 -0.212 0.000 0.920 486 T CA 0.392 62.395 62.100 -0.161 0.000 0.874 486 T CB 1.229 70.038 68.868 -0.098 0.000 1.214 486 T HN 0.264 nan 8.240 nan 0.000 0.536 487 G N 1.264 109.819 108.800 -0.408 0.000 2.159 487 G HA2 -0.158 3.819 3.960 0.028 0.000 0.256 487 G HA3 -0.158 3.819 3.960 0.028 0.000 0.256 487 G C -0.375 174.429 174.900 -0.160 0.000 0.977 487 G CA 0.214 45.028 45.100 -0.476 0.000 0.652 487 G HN 0.810 nan 8.290 nan 0.000 0.531 488 D N -0.515 119.785 120.400 -0.167 0.000 2.788 488 D HA 0.468 5.125 4.640 0.028 0.000 0.247 488 D C -1.591 174.519 176.300 -0.317 0.000 1.236 488 D CA -1.617 52.219 54.000 -0.272 0.000 0.898 488 D CB 2.276 43.018 40.800 -0.098 0.000 1.401 488 D HN 0.003 nan 8.370 nan 0.000 0.549 489 P HA -0.003 nan 4.420 nan 0.000 0.241 489 P C 0.052 177.320 177.300 -0.054 0.000 1.191 489 P CA -0.017 62.864 63.100 -0.365 0.000 0.771 489 P CB 0.449 31.619 31.700 -0.883 0.000 0.929 490 N N 1.550 120.190 118.700 -0.099 0.000 2.508 490 N HA 0.015 4.772 4.740 0.028 0.000 0.264 490 N C 0.068 175.641 175.510 0.105 0.000 1.216 490 N CA 0.329 53.436 53.050 0.094 0.000 0.943 490 N CB 0.439 38.976 38.487 0.084 0.000 1.113 490 N HN -0.007 nan 8.380 nan 0.000 0.447 491 D N 2.198 122.688 120.400 0.151 0.000 2.344 491 D HA 0.064 4.721 4.640 0.028 0.000 0.253 491 D C -1.301 175.042 176.300 0.071 0.000 1.255 491 D CA -1.305 52.758 54.000 0.104 0.000 0.894 491 D CB 0.918 41.782 40.800 0.107 0.000 1.067 491 D HN 0.316 nan 8.370 nan 0.000 0.492 492 P HA -0.056 nan 4.420 nan 0.000 0.239 492 P C 0.563 177.884 177.300 0.034 0.000 1.184 492 P CA 0.565 63.686 63.100 0.035 0.000 0.760 492 P CB 0.293 32.005 31.700 0.019 0.000 0.884 493 R N -0.963 119.560 120.500 0.038 0.000 2.544 493 R HA 0.162 4.519 4.340 0.028 0.000 0.426 493 R C 0.031 176.355 176.300 0.040 0.000 0.943 493 R CA -0.221 55.900 56.100 0.035 0.000 1.162 493 R CB -1.077 29.239 30.300 0.026 0.000 1.588 493 R HN 0.059 nan 8.270 nan 0.000 0.563 494 D N 1.146 121.578 120.400 0.052 0.000 2.456 494 D HA 0.276 4.933 4.640 0.028 0.000 0.219 494 D C 0.210 176.548 176.300 0.063 0.000 1.126 494 D CA 0.390 54.425 54.000 0.059 0.000 0.890 494 D CB 1.475 42.319 40.800 0.073 0.000 1.025 494 D HN 0.475 nan 8.370 nan 0.000 0.511 495 S N 2.137 117.868 115.700 0.052 0.000 3.305 495 S HA 0.219 4.705 4.470 0.028 0.000 0.248 495 S C 0.832 175.464 174.600 0.054 0.000 1.288 495 S CA -0.115 58.115 58.200 0.050 0.000 1.249 495 S CB -0.548 62.676 63.200 0.040 0.000 1.116 495 S HN 0.420 nan 8.310 nan 0.000 0.465 496 K N 1.190 121.630 120.400 0.066 0.000 2.394 496 K HA 0.713 5.050 4.320 0.028 0.000 0.260 496 K C -0.038 176.611 176.600 0.082 0.000 0.967 496 K CA -0.243 56.085 56.287 0.069 0.000 0.855 496 K CB 0.618 33.161 32.500 0.072 0.000 1.101 496 K HN 0.681 nan 8.250 nan 0.000 0.433 497 S N 2.909 118.651 115.700 0.070 0.000 2.586 497 S HA 0.762 5.249 4.470 0.028 0.000 0.274 497 S C -1.818 172.823 174.600 0.068 0.000 1.281 497 S CA -0.831 57.412 58.200 0.072 0.000 1.035 497 S CB 0.503 63.738 63.200 0.058 0.000 0.962 497 S HN 0.621 nan 8.310 nan 0.000 0.512 498 P HA 0.398 nan 4.420 nan 0.000 0.281 498 P C -1.005 176.363 177.300 0.113 0.000 1.249 498 P CA -0.668 62.477 63.100 0.075 0.000 0.810 498 P CB 0.494 32.222 31.700 0.047 0.000 1.008 499 Q N 0.348 120.225 119.800 0.129 0.000 2.259 499 Q HA 0.146 4.503 4.340 0.028 0.000 0.246 499 Q C -0.655 175.494 176.000 0.249 0.000 0.920 499 Q CA -0.137 55.777 55.803 0.186 0.000 0.895 499 Q CB 0.932 29.770 28.738 0.167 0.000 1.220 499 Q HN 0.580 nan 8.270 nan 0.000 0.439 500 W N 5.911 127.254 121.300 0.071 0.000 2.585 500 W HA 0.242 4.920 4.660 0.030 0.000 0.337 500 W C -2.420 174.225 176.519 0.211 0.000 1.226 500 W CA -2.364 55.034 57.345 0.089 0.000 1.463 500 W CB -0.135 29.317 29.460 -0.013 0.000 1.458 500 W HN 0.367 nan 8.180 nan 0.000 0.458 501 P HA 0.248 nan 4.420 nan 0.000 0.277 501 P C -2.559 174.927 177.300 0.311 0.000 1.240 501 P CA -1.713 61.599 63.100 0.353 0.000 0.798 501 P CB 0.272 32.093 31.700 0.201 0.000 0.979 502 P HA 0.019 nan 4.420 nan 0.000 0.268 502 P C -0.609 176.666 177.300 -0.043 0.000 1.204 502 P CA 0.085 62.965 63.100 -0.367 0.000 0.768 502 P CB -0.018 31.439 31.700 -0.406 0.000 0.842 503 Y N 3.512 123.754 120.300 -0.098 0.000 2.544 503 Y HA 0.244 4.811 4.550 0.027 0.000 0.330 503 Y C 0.501 176.385 175.900 -0.026 0.000 1.136 503 Y CA 0.825 58.936 58.100 0.018 0.000 1.417 503 Y CB 0.115 38.613 38.460 0.063 0.000 1.229 503 Y HN 0.414 nan 8.280 nan 0.000 0.532 504 T N 0.434 114.732 114.554 -0.426 0.000 2.906 504 T HA 0.256 4.623 4.350 0.028 0.000 0.295 504 T C 0.866 175.317 174.700 -0.415 0.000 1.075 504 T CA -0.223 61.718 62.100 -0.265 0.000 1.005 504 T CB 1.333 70.115 68.868 -0.143 0.000 1.136 504 T HN 0.658 nan 8.240 nan 0.000 0.498 505 T N -0.897 113.561 114.554 -0.161 0.000 2.951 505 T HA 0.086 4.453 4.350 0.028 0.000 0.268 505 T C 2.105 176.747 174.700 -0.096 0.000 1.073 505 T CA 0.939 62.985 62.100 -0.091 0.000 1.134 505 T CB -0.697 68.183 68.868 0.020 0.000 0.884 505 T HN 0.839 nan 8.240 nan 0.000 0.479 506 A N 1.980 124.747 122.820 -0.088 0.000 1.826 506 A HA 0.539 4.876 4.320 0.028 0.000 0.214 506 A C 2.814 180.349 177.584 -0.080 0.000 1.212 506 A CA 1.497 53.497 52.037 -0.061 0.000 0.605 506 A CB -1.453 17.524 19.000 -0.038 0.000 0.861 506 A HN 0.737 nan 8.150 nan 0.000 0.447 507 A N -1.765 120.992 122.820 -0.105 0.000 2.014 507 A HA 0.069 4.406 4.320 0.028 0.000 0.218 507 A C 1.064 178.574 177.584 -0.123 0.000 1.163 507 A CA 1.213 53.197 52.037 -0.088 0.000 0.652 507 A CB -0.521 18.439 19.000 -0.067 0.000 0.808 507 A HN 0.650 nan 8.150 nan 0.000 0.449 508 Q N -0.648 118.968 119.800 -0.306 0.000 2.451 508 Q HA -0.221 4.136 4.340 0.028 0.000 0.305 508 Q C -0.661 175.304 176.000 -0.059 0.000 1.345 508 Q CA 0.679 56.213 55.803 -0.448 0.000 0.854 508 Q CB -1.777 26.884 28.738 -0.129 0.000 1.162 508 Q HN 0.842 nan 8.270 nan 0.000 0.440 509 Q N 0.500 120.272 119.800 -0.048 0.000 2.288 509 Q HA 0.458 4.815 4.340 0.028 0.000 0.254 509 Q C -0.382 175.864 176.000 0.410 0.000 0.932 509 Q CA -0.026 55.861 55.803 0.140 0.000 0.902 509 Q CB 0.560 29.344 28.738 0.075 0.000 1.203 509 Q HN 0.368 nan 8.270 nan 0.000 0.415 510 Y N -1.216 119.213 120.300 0.216 0.000 2.677 510 Y HA 0.758 5.324 4.550 0.027 0.000 0.334 510 Y C -1.079 174.837 175.900 0.027 0.000 1.154 510 Y CA -1.528 56.708 58.100 0.227 0.000 1.070 510 Y CB 0.591 39.196 38.460 0.243 0.000 1.294 510 Y HN 0.334 nan 8.280 nan 0.000 0.475 511 V N -0.520 119.341 119.914 -0.089 0.000 2.864 511 V HA 0.830 4.967 4.120 0.028 0.000 0.314 511 V C -0.304 175.723 176.094 -0.111 0.000 1.073 511 V CA -0.599 61.490 62.300 -0.352 0.000 0.956 511 V CB 1.312 32.651 31.823 -0.807 0.000 1.023 511 V HN 1.203 nan 8.190 nan 0.000 0.435 512 S N 3.693 119.323 115.700 -0.117 0.000 2.475 512 S HA 0.685 5.172 4.470 0.028 0.000 0.281 512 S C -0.467 174.118 174.600 -0.025 0.000 1.198 512 S CA -0.645 57.559 58.200 0.008 0.000 1.063 512 S CB 0.506 63.699 63.200 -0.010 0.000 0.972 512 S HN 0.762 nan 8.310 nan 0.000 0.486 513 L N 4.447 125.708 121.223 0.063 0.000 2.262 513 L HA 0.511 4.868 4.340 0.028 0.000 0.288 513 L C -0.031 176.806 176.870 -0.055 0.000 1.035 513 L CA -0.386 54.528 54.840 0.123 0.000 0.820 513 L CB -0.069 42.164 42.059 0.290 0.000 1.204 513 L HN 0.962 nan 8.230 nan 0.000 0.424 514 N N 2.226 120.837 118.700 -0.149 0.000 3.517 514 N HA 0.297 5.053 4.740 0.028 0.000 0.329 514 N C 0.145 175.158 175.510 -0.828 0.000 1.569 514 N CA -0.923 51.756 53.050 -0.619 0.000 0.852 514 N CB 0.563 38.837 38.487 -0.355 0.000 1.955 514 N HN 0.169 nan 8.380 nan 0.000 0.555 515 L N -0.665 120.118 121.223 -0.733 0.000 2.109 515 L HA 0.140 4.497 4.340 0.028 0.000 0.207 515 L C 0.714 177.421 176.870 -0.272 0.000 1.086 515 L CA 0.914 55.398 54.840 -0.593 0.000 0.760 515 L CB -0.447 41.347 42.059 -0.442 0.000 0.910 515 L HN 0.431 nan 8.230 nan 0.000 0.437 516 K N 0.700 120.987 120.400 -0.189 0.000 2.276 516 K HA 0.124 4.461 4.320 0.028 0.000 0.259 516 K C -2.050 174.519 176.600 -0.051 0.000 1.001 516 K CA -1.557 54.673 56.287 -0.095 0.000 0.927 516 K CB 0.033 32.487 32.500 -0.076 0.000 0.969 516 K HN -0.094 nan 8.250 nan 0.000 0.490 517 P HA -0.012 nan 4.420 nan 0.000 0.272 517 P C -0.303 177.009 177.300 0.019 0.000 1.240 517 P CA -0.149 62.969 63.100 0.030 0.000 0.791 517 P CB 0.412 32.133 31.700 0.035 0.000 0.978 518 L N 0.553 121.803 121.223 0.046 0.000 2.615 518 L HA -0.040 4.316 4.340 0.028 0.000 0.284 518 L C 1.247 178.087 176.870 -0.051 0.000 1.237 518 L CA 0.845 55.672 54.840 -0.020 0.000 0.905 518 L CB -0.374 41.664 42.059 -0.034 0.000 1.149 518 L HN 0.493 nan 8.230 nan 0.000 0.499 519 E N 2.869 123.014 120.200 -0.093 0.000 2.158 519 E HA 0.350 4.717 4.350 0.028 0.000 0.271 519 E C -1.213 175.290 176.600 -0.162 0.000 0.911 519 E CA -0.810 55.530 56.400 -0.099 0.000 0.767 519 E CB 1.764 31.413 29.700 -0.085 0.000 1.120 519 E HN 0.306 nan 8.360 nan 0.000 0.405 520 V N 5.302 125.134 119.914 -0.137 0.000 2.488 520 V HA 0.307 4.444 4.120 0.028 0.000 0.277 520 V C 0.413 176.368 176.094 -0.232 0.000 1.046 520 V CA -0.018 62.179 62.300 -0.172 0.000 0.986 520 V CB 0.738 32.516 31.823 -0.076 0.000 0.989 520 V HN 0.667 nan 8.190 nan 0.000 0.475 521 R N 3.923 124.160 120.500 -0.439 0.000 2.832 521 R HA 0.741 5.098 4.340 0.028 0.000 0.271 521 R C -0.725 175.358 176.300 -0.362 0.000 0.996 521 R CA -1.017 54.795 56.100 -0.480 0.000 0.977 521 R CB 2.391 32.236 30.300 -0.759 0.000 1.168 521 R HN 0.598 nan 8.270 nan 0.000 0.482 522 R N -0.093 120.357 120.500 -0.082 0.000 2.599 522 R HA 0.498 4.855 4.340 0.028 0.000 0.295 522 R C -0.816 175.644 176.300 0.267 0.000 0.963 522 R CA -0.423 55.733 56.100 0.094 0.000 0.883 522 R CB 2.218 32.543 30.300 0.042 0.000 1.171 522 R HN 0.889 nan 8.270 nan 0.000 0.450 523 G N 2.340 111.359 108.800 0.365 0.000 3.405 523 G HA2 -0.201 3.775 3.960 0.028 0.000 0.676 523 G HA3 -0.201 3.775 3.960 0.028 0.000 0.676 523 G C -1.168 173.938 174.900 0.343 0.000 1.039 523 G CA -0.920 44.364 45.100 0.305 0.000 0.855 523 G HN 0.414 nan 8.290 nan 0.000 0.443 524 L N 4.184 125.506 121.223 0.165 0.000 2.358 524 L HA 0.527 4.884 4.340 0.028 0.000 0.274 524 L C 1.616 178.492 176.870 0.011 0.000 1.136 524 L CA -0.299 54.468 54.840 -0.122 0.000 0.970 524 L CB -0.318 41.596 42.059 -0.241 0.000 1.314 524 L HN 0.672 nan 8.230 nan 0.000 0.427 525 R N 2.741 123.285 120.500 0.073 0.000 3.301 525 R HA -0.299 4.058 4.340 0.028 0.000 0.249 525 R C 1.326 177.718 176.300 0.154 0.000 0.964 525 R CA 0.597 56.777 56.100 0.134 0.000 0.653 525 R CB -1.929 28.462 30.300 0.152 0.000 1.043 525 R HN 0.777 nan 8.270 nan 0.000 0.454 526 A N 0.717 123.626 122.820 0.147 0.000 1.883 526 A HA -0.258 4.079 4.320 0.028 0.000 0.217 526 A C 2.116 179.788 177.584 0.147 0.000 1.186 526 A CA 1.638 53.761 52.037 0.144 0.000 0.624 526 A CB -0.186 18.894 19.000 0.133 0.000 0.822 526 A HN 0.602 nan 8.150 nan 0.000 0.444 527 Q N -1.139 118.746 119.800 0.142 0.000 2.020 527 Q HA -0.141 4.216 4.340 0.028 0.000 0.202 527 Q C 2.309 178.424 176.000 0.192 0.000 0.982 527 Q CA 2.085 57.975 55.803 0.146 0.000 0.838 527 Q CB -0.448 28.365 28.738 0.125 0.000 0.899 527 Q HN 0.677 nan 8.270 nan 0.000 0.423 528 T N 0.306 115.000 114.554 0.233 0.000 2.720 528 T HA -0.179 4.188 4.350 0.028 0.000 0.268 528 T C 2.020 176.935 174.700 0.358 0.000 1.037 528 T CA 1.299 63.572 62.100 0.290 0.000 1.144 528 T CB -0.385 68.699 68.868 0.360 0.000 0.864 528 T HN 0.382 nan 8.240 nan 0.000 0.444 529 c N 1.647 120.444 118.600 0.330 0.000 2.432 529 c HA 0.169 4.756 4.570 0.028 0.000 0.280 529 c C 3.171 177.413 174.090 0.253 0.000 1.353 529 c CA 0.011 56.539 56.329 0.331 0.000 1.766 529 c CB -1.522 41.119 42.510 0.219 0.000 1.924 529 c HN 0.648 nan 8.230 nan 0.000 0.509 530 A N 0.301 123.237 122.820 0.193 0.000 1.908 530 A HA -0.210 4.127 4.320 0.028 0.000 0.218 530 A C 1.894 179.561 177.584 0.139 0.000 1.181 530 A CA 1.709 53.835 52.037 0.147 0.000 0.627 530 A CB -0.833 18.241 19.000 0.122 0.000 0.818 530 A HN 0.546 nan 8.150 nan 0.000 0.445 531 F N -0.861 119.059 119.950 -0.049 0.000 2.095 531 F HA -0.202 4.344 4.527 0.031 0.000 0.298 531 F C 1.949 177.673 175.800 -0.126 0.000 1.104 531 F CA 1.899 59.776 58.000 -0.204 0.000 1.232 531 F CB -0.491 38.100 39.000 -0.681 0.000 0.987 531 F HN 0.392 nan 8.300 nan 0.000 0.475 532 W N 0.276 121.552 121.300 -0.039 0.000 2.453 532 W HA -0.070 4.605 4.660 0.026 0.000 0.289 532 W C 2.048 178.514 176.519 -0.088 0.000 1.215 532 W CA 0.774 58.060 57.345 -0.098 0.000 1.297 532 W CB -0.371 29.151 29.460 0.104 0.000 1.113 532 W HN -0.054 nan 8.180 nan 0.000 0.551 533 N N -0.616 118.197 118.700 0.189 0.000 2.388 533 N HA 0.073 4.830 4.740 0.028 0.000 0.176 533 N C 1.429 176.969 175.510 0.049 0.000 1.062 533 N CA 0.719 53.836 53.050 0.112 0.000 0.895 533 N CB -0.013 38.540 38.487 0.110 0.000 1.018 533 N HN 0.228 nan 8.380 nan 0.000 0.456 534 R N -1.599 118.925 120.500 0.041 0.000 2.310 534 R HA 0.239 4.596 4.340 0.028 0.000 0.199 534 R C 1.037 177.360 176.300 0.038 0.000 0.891 534 R CA -0.023 56.102 56.100 0.042 0.000 1.060 534 R CB 0.228 30.574 30.300 0.077 0.000 1.188 534 R HN 0.035 nan 8.270 nan 0.000 0.607 535 F N 0.681 120.524 119.950 -0.180 0.000 2.315 535 F HA 0.136 4.681 4.527 0.029 0.000 0.284 535 F C 1.761 177.377 175.800 -0.307 0.000 1.049 535 F CA 0.381 58.246 58.000 -0.224 0.000 1.323 535 F CB -0.179 38.690 39.000 -0.218 0.000 1.113 535 F HN -0.174 nan 8.300 nan 0.000 0.544 536 L N 1.302 122.166 121.223 -0.598 0.000 2.012 536 L HA -0.104 4.253 4.340 0.028 0.000 0.210 536 L C -0.915 175.718 176.870 -0.394 0.000 1.073 536 L CA 2.137 56.602 54.840 -0.624 0.000 0.748 536 L CB -1.556 40.143 42.059 -0.599 0.000 0.891 536 L HN 0.028 nan 8.230 nan 0.000 0.431 537 P HA -0.207 nan 4.420 nan 0.000 0.213 537 P C 1.428 178.601 177.300 -0.212 0.000 1.170 537 P CA 1.600 64.600 63.100 -0.167 0.000 0.898 537 P CB -0.067 31.576 31.700 -0.095 0.000 0.787 538 K N -0.900 119.355 120.400 -0.242 0.000 2.089 538 K HA -0.206 4.131 4.320 0.028 0.000 0.210 538 K C 1.986 178.395 176.600 -0.318 0.000 1.048 538 K CA 1.394 57.538 56.287 -0.238 0.000 0.926 538 K CB -0.992 31.387 32.500 -0.200 0.000 0.714 538 K HN 0.071 nan 8.250 nan 0.000 0.448 539 L N 0.951 121.853 121.223 -0.535 0.000 2.201 539 L HA -0.078 4.279 4.340 0.028 0.000 0.212 539 L C 1.886 178.594 176.870 -0.269 0.000 1.105 539 L CA 1.248 55.791 54.840 -0.494 0.000 0.775 539 L CB -0.107 41.502 42.059 -0.750 0.000 0.913 539 L HN 0.108 nan 8.230 nan 0.000 0.440 540 L N -1.133 119.950 121.223 -0.233 0.000 2.209 540 L HA 0.016 4.373 4.340 0.028 0.000 0.207 540 L C 1.764 178.573 176.870 -0.102 0.000 1.094 540 L CA 0.673 55.427 54.840 -0.143 0.000 0.790 540 L CB -0.147 41.839 42.059 -0.122 0.000 0.932 540 L HN 0.462 nan 8.230 nan 0.000 0.447 541 S N 0.000 115.638 115.700 -0.104 0.000 2.498 541 S HA 0.000 4.487 4.470 0.028 0.000 0.327 541 S CA 0.000 58.156 58.200 -0.073 0.000 1.107 541 S CB 0.000 63.158 63.200 -0.069 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517