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 2xuj_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 LVGcPXXXAG GNDTELIAcL 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 0.000 176.624 176.600 0.040 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.718 29.700 0.031 0.000 0.812 5 D N 5.788 126.221 120.400 0.054 0.000 2.396 5 D HA 0.287 4.949 4.640 0.037 0.000 0.225 5 D C -1.584 174.757 176.300 0.069 0.000 1.121 5 D CA -2.335 51.710 54.000 0.075 0.000 0.853 5 D CB 1.527 42.398 40.800 0.117 0.000 1.043 5 D HN 0.190 nan 8.370 nan 0.000 0.500 6 P HA -0.207 nan 4.420 nan 0.000 0.217 6 P C 1.213 178.530 177.300 0.029 0.000 1.151 6 P CA 0.983 64.100 63.100 0.027 0.000 0.849 6 P CB 0.438 32.140 31.700 0.004 0.000 0.787 7 Q N -0.574 119.227 119.800 0.003 0.000 2.234 7 Q HA -0.060 4.302 4.340 0.037 0.000 0.206 7 Q C 1.905 177.986 176.000 0.136 0.000 0.980 7 Q CA 1.024 56.810 55.803 -0.029 0.000 0.869 7 Q CB -0.473 28.087 28.738 -0.297 0.000 0.912 7 Q HN 0.423 nan 8.270 nan 0.000 0.436 8 L N 0.166 121.485 121.223 0.160 0.000 2.728 8 L HA 0.266 4.628 4.340 0.037 0.000 0.235 8 L C 0.306 177.345 176.870 0.281 0.000 1.197 8 L CA -0.146 54.810 54.840 0.193 0.000 0.992 8 L CB 0.291 42.390 42.059 0.068 0.000 1.263 8 L HN -0.013 nan 8.230 nan 0.000 0.484 9 L N 1.038 122.398 121.223 0.229 0.000 2.372 9 L HA 0.572 4.934 4.340 0.037 0.000 0.273 9 L C -1.127 175.782 176.870 0.065 0.000 0.989 9 L CA -0.453 54.486 54.840 0.165 0.000 0.841 9 L CB 2.014 44.127 42.059 0.090 0.000 1.225 9 L HN -0.196 nan 8.230 nan 0.000 0.414 10 V N 4.067 123.983 119.914 0.005 0.000 2.735 10 V HA 0.495 4.637 4.120 0.037 0.000 0.310 10 V C -0.245 175.763 176.094 -0.143 0.000 1.061 10 V CA -0.795 61.360 62.300 -0.241 0.000 0.913 10 V CB 2.083 33.450 31.823 -0.761 0.000 1.005 10 V HN 0.698 nan 8.190 nan 0.000 0.428 11 R N 3.226 123.625 120.500 -0.169 0.000 2.198 11 R HA 0.664 5.027 4.340 0.037 0.000 0.339 11 R C -0.497 175.708 176.300 -0.159 0.000 1.020 11 R CA -0.313 55.720 56.100 -0.112 0.000 0.864 11 R CB 1.275 31.515 30.300 -0.100 0.000 1.105 11 R HN 0.758 nan 8.270 nan 0.000 0.463 12 V N 1.871 121.742 119.914 -0.071 0.000 3.302 12 V HA 0.414 4.556 4.120 0.037 0.000 0.316 12 V C 1.352 177.374 176.094 -0.120 0.000 1.111 12 V CA -0.742 61.521 62.300 -0.061 0.000 1.029 12 V CB 1.497 33.434 31.823 0.189 0.000 1.170 12 V HN 0.829 nan 8.190 nan 0.000 0.452 13 R N 0.906 121.332 120.500 -0.124 0.000 2.105 13 R HA -0.064 4.298 4.340 0.037 0.000 0.239 13 R C 2.069 178.231 176.300 -0.231 0.000 1.135 13 R CA 1.756 57.769 56.100 -0.145 0.000 0.967 13 R CB -0.790 29.447 30.300 -0.105 0.000 0.861 13 R HN 0.992 nan 8.270 nan 0.000 0.442 14 G N -0.613 107.997 108.800 -0.317 0.000 2.813 14 G HA2 0.245 4.227 3.960 0.037 0.000 0.209 14 G HA3 0.245 4.227 3.960 0.037 0.000 0.209 14 G C 0.437 174.396 174.900 -1.568 0.000 1.150 14 G CA 0.598 45.238 45.100 -0.766 0.000 0.785 14 G HN 0.593 nan 8.290 nan 0.000 0.535 15 G N -1.215 106.933 108.800 -1.087 0.000 2.320 15 G HA2 0.138 4.120 3.960 0.037 0.000 0.274 15 G HA3 0.138 4.120 3.960 0.037 0.000 0.274 15 G C -1.296 173.520 174.900 -0.139 0.000 1.324 15 G CA -0.907 43.681 45.100 -0.853 0.000 0.957 15 G HN 0.236 nan 8.290 nan 0.000 0.481 16 Q N -0.326 119.572 119.800 0.163 0.000 2.230 16 Q HA 0.687 5.049 4.340 0.037 0.000 0.253 16 Q C -0.639 175.645 176.000 0.473 0.000 0.919 16 Q CA -0.340 55.624 55.803 0.269 0.000 0.908 16 Q CB 2.018 30.846 28.738 0.151 0.000 1.245 16 Q HN 0.433 nan 8.270 nan 0.000 0.437 17 L N 1.985 123.410 121.223 0.336 0.000 2.365 17 L HA 0.571 4.933 4.340 0.037 0.000 0.273 17 L C -0.386 176.664 176.870 0.301 0.000 1.000 17 L CA -0.656 54.389 54.840 0.341 0.000 0.819 17 L CB 2.116 44.412 42.059 0.396 0.000 1.284 17 L HN 0.418 nan 8.230 nan 0.000 0.418 18 R N 1.467 122.115 120.500 0.246 0.000 2.343 18 R HA 0.592 4.954 4.340 0.037 0.000 0.320 18 R C -0.097 176.288 176.300 0.142 0.000 0.956 18 R CA -0.350 55.867 56.100 0.195 0.000 0.836 18 R CB 1.578 31.937 30.300 0.097 0.000 1.151 18 R HN 0.803 nan 8.270 nan 0.000 0.450 19 G N 3.366 112.204 108.800 0.063 0.000 2.525 19 G HA2 0.382 4.364 3.960 0.037 0.000 0.287 19 G HA3 0.382 4.364 3.960 0.037 0.000 0.287 19 G C -0.809 173.914 174.900 -0.295 0.000 1.350 19 G CA -0.673 44.166 45.100 -0.435 0.000 1.039 19 G HN 0.606 nan 8.290 nan 0.000 0.513 20 I N -0.936 119.407 120.570 -0.379 0.000 2.582 20 I HA 0.495 4.687 4.170 0.037 0.000 0.292 20 I C -0.157 175.831 176.117 -0.214 0.000 1.066 20 I CA -1.140 60.020 61.300 -0.234 0.000 1.053 20 I CB 2.022 39.892 38.000 -0.217 0.000 1.241 20 I HN 0.487 nan 8.210 nan 0.000 0.421 21 R N 7.717 128.134 120.500 -0.139 0.000 2.234 21 R HA 0.569 4.931 4.340 0.037 0.000 0.324 21 R C -1.754 174.459 176.300 -0.146 0.000 1.054 21 R CA -0.328 55.689 56.100 -0.138 0.000 0.912 21 R CB 0.665 30.844 30.300 -0.201 0.000 1.030 21 R HN 0.651 nan 8.270 nan 0.000 0.455 22 L N 3.778 124.930 121.223 -0.117 0.000 2.334 22 L HA 0.434 4.796 4.340 0.037 0.000 0.272 22 L C -0.091 176.713 176.870 -0.110 0.000 1.020 22 L CA -0.933 53.849 54.840 -0.096 0.000 0.812 22 L CB 1.844 43.878 42.059 -0.042 0.000 1.264 22 L HN 0.575 nan 8.230 nan 0.000 0.439 23 K N 2.283 122.618 120.400 -0.108 0.000 2.262 23 K HA 0.614 4.956 4.320 0.037 0.000 0.282 23 K C -0.824 175.699 176.600 -0.128 0.000 1.066 23 K CA -0.303 55.919 56.287 -0.108 0.000 0.901 23 K CB 1.103 33.551 32.500 -0.086 0.000 1.089 23 K HN 0.693 nan 8.250 nan 0.000 0.476 24 A N 5.653 128.395 122.820 -0.131 0.000 2.337 24 A HA 0.469 4.811 4.320 0.037 0.000 0.331 24 A C -1.953 175.598 177.584 -0.056 0.000 1.137 24 A CA -1.882 50.056 52.037 -0.165 0.000 0.807 24 A CB 0.826 19.700 19.000 -0.211 0.000 1.250 24 A HN 0.638 nan 8.150 nan 0.000 0.468 25 P HA -0.236 nan 4.420 nan 0.000 0.221 25 P C 1.458 178.772 177.300 0.023 0.000 1.160 25 P CA 2.631 65.759 63.100 0.046 0.000 0.933 25 P CB 0.135 31.899 31.700 0.107 0.000 0.793 26 G N -2.426 106.390 108.800 0.026 0.000 2.777 26 G HA2 0.402 4.384 3.960 0.037 0.000 0.211 26 G HA3 0.402 4.384 3.960 0.037 0.000 0.211 26 G C 0.586 175.493 174.900 0.011 0.000 1.149 26 G CA 0.659 45.772 45.100 0.021 0.000 0.785 26 G HN 0.687 nan 8.290 nan 0.000 0.536 27 G N -0.745 108.053 108.800 -0.003 0.000 2.315 27 G HA2 0.442 4.424 3.960 0.037 0.000 0.294 27 G HA3 0.442 4.424 3.960 0.037 0.000 0.294 27 G C -3.389 171.487 174.900 -0.040 0.000 1.300 27 G CA -0.717 44.375 45.100 -0.013 0.000 0.843 27 G HN -0.002 nan 8.290 nan 0.000 0.527 28 P HA 0.491 nan 4.420 nan 0.000 0.275 28 P C -0.023 177.269 177.300 -0.013 0.000 1.228 28 P CA -0.216 62.798 63.100 -0.144 0.000 0.786 28 P CB 1.623 33.080 31.700 -0.405 0.000 0.927 29 V N -0.874 119.040 119.914 0.001 0.000 3.001 29 V HA 0.687 4.829 4.120 0.037 0.000 0.314 29 V C -0.437 175.743 176.094 0.143 0.000 1.099 29 V CA -0.897 61.482 62.300 0.132 0.000 0.989 29 V CB 1.907 33.809 31.823 0.131 0.000 1.040 29 V HN 0.437 nan 8.190 nan 0.000 0.434 30 S N 1.966 117.797 115.700 0.219 0.000 2.442 30 S HA 0.860 5.352 4.470 0.037 0.000 0.297 30 S C 0.017 174.577 174.600 -0.067 0.000 1.131 30 S CA -0.030 58.225 58.200 0.091 0.000 1.092 30 S CB 1.216 64.559 63.200 0.239 0.000 0.998 30 S HN 1.545 nan 8.310 nan 0.000 0.478 31 A N 2.655 125.243 122.820 -0.386 0.000 2.342 31 A HA 0.828 5.170 4.320 0.037 0.000 0.323 31 A C -1.150 175.947 177.584 -0.811 0.000 1.125 31 A CA -0.648 51.070 52.037 -0.532 0.000 0.785 31 A CB 0.429 19.131 19.000 -0.495 0.000 1.221 31 A HN 0.698 nan 8.150 nan 0.000 0.463 32 F N 2.666 122.447 119.950 -0.282 0.000 2.443 32 F HA 0.433 4.982 4.527 0.037 0.000 0.369 32 F C -0.270 175.354 175.800 -0.294 0.000 1.090 32 F CA -0.262 57.651 58.000 -0.145 0.000 1.129 32 F CB 1.112 40.178 39.000 0.110 0.000 1.367 32 F HN 0.336 nan 8.300 nan 0.000 0.465 33 L N 1.901 122.965 121.223 -0.265 0.000 2.322 33 L HA 0.719 5.081 4.340 0.037 0.000 0.279 33 L C 1.028 177.803 176.870 -0.159 0.000 1.036 33 L CA -0.924 53.706 54.840 -0.350 0.000 0.807 33 L CB 1.543 43.183 42.059 -0.699 0.000 1.226 33 L HN 0.797 nan 8.230 nan 0.000 0.433 34 G N 2.839 111.613 108.800 -0.044 0.000 2.198 34 G HA2 -0.257 3.725 3.960 0.037 0.000 0.257 34 G HA3 -0.257 3.725 3.960 0.037 0.000 0.257 34 G C 0.018 174.968 174.900 0.083 0.000 1.042 34 G CA -0.342 44.752 45.100 -0.009 0.000 0.791 34 G HN 0.496 nan 8.290 nan 0.000 0.502 35 I N 2.038 122.651 120.570 0.072 0.000 2.598 35 I HA 0.190 4.382 4.170 0.037 0.000 0.284 35 I C -1.385 174.768 176.117 0.060 0.000 1.140 35 I CA -1.711 59.605 61.300 0.026 0.000 1.420 35 I CB 0.746 38.698 38.000 -0.081 0.000 1.387 35 I HN -0.006 nan 8.210 nan 0.000 0.553 36 P HA 0.092 nan 4.420 nan 0.000 0.286 36 P C -0.279 176.908 177.300 -0.187 0.000 1.269 36 P CA -0.128 62.800 63.100 -0.286 0.000 0.787 36 P CB 0.667 32.195 31.700 -0.287 0.000 0.920 37 F N 1.060 120.804 119.950 -0.344 0.000 2.706 37 F HA 0.729 5.278 4.527 0.037 0.000 0.313 37 F C 0.018 175.775 175.800 -0.072 0.000 1.096 37 F CA -0.725 57.136 58.000 -0.232 0.000 1.219 37 F CB 0.226 39.008 39.000 -0.363 0.000 1.051 37 F HN 0.317 nan 8.300 nan 0.000 0.568 38 A N 0.181 122.682 122.820 -0.533 0.000 2.572 38 A HA 0.558 4.900 4.320 0.037 0.000 0.295 38 A C -0.827 176.577 177.584 -0.301 0.000 1.072 38 A CA -0.779 51.047 52.037 -0.351 0.000 0.691 38 A CB 0.958 19.668 19.000 -0.483 0.000 1.291 38 A HN 0.068 nan 8.150 nan 0.000 0.404 39 E N 1.416 121.528 120.200 -0.147 0.000 2.465 39 E HA 0.167 4.539 4.350 0.037 0.000 0.260 39 E C -2.290 174.205 176.600 -0.174 0.000 0.980 39 E CA -1.133 55.198 56.400 -0.116 0.000 0.927 39 E CB -0.052 29.619 29.700 -0.047 0.000 0.934 39 E HN 0.229 nan 8.360 nan 0.000 0.459 40 P HA -0.004 nan 4.420 nan 0.000 0.260 40 P C -2.249 174.979 177.300 -0.120 0.000 1.185 40 P CA -0.730 62.273 63.100 -0.162 0.000 0.763 40 P CB -0.058 31.588 31.700 -0.089 0.000 0.776 41 P HA 0.019 nan 4.420 nan 0.000 0.225 41 P C -0.325 176.914 177.300 -0.102 0.000 1.813 41 P CA 0.075 63.115 63.100 -0.099 0.000 1.013 41 P CB -0.073 31.572 31.700 -0.092 0.000 1.961 42 V N -1.996 117.864 119.914 -0.090 0.000 3.166 42 V HA 0.905 5.047 4.120 0.037 0.000 0.317 42 V C 1.067 177.116 176.094 -0.076 0.000 1.136 42 V CA 0.002 62.246 62.300 -0.093 0.000 1.035 42 V CB 0.697 32.472 31.823 -0.080 0.000 1.110 42 V HN 0.556 nan 8.190 nan 0.000 0.450 43 G N 1.641 110.398 108.800 -0.073 0.000 2.660 43 G HA2 -0.384 3.598 3.960 0.037 0.000 0.321 43 G HA3 -0.384 3.598 3.960 0.037 0.000 0.321 43 G C 1.374 176.245 174.900 -0.048 0.000 1.246 43 G CA 2.076 47.145 45.100 -0.051 0.000 1.000 43 G HN 2.416 nan 8.290 nan 0.000 0.550 44 S N 0.404 116.090 115.700 -0.024 0.000 2.500 44 S HA -0.025 4.467 4.470 0.037 0.000 0.239 44 S C 2.061 176.654 174.600 -0.010 0.000 0.989 44 S CA 1.796 59.993 58.200 -0.006 0.000 0.951 44 S CB -0.151 63.053 63.200 0.007 0.000 0.759 44 S HN 0.695 nan 8.310 nan 0.000 0.523 45 R N 0.473 120.953 120.500 -0.034 0.000 2.317 45 R HA 0.271 4.633 4.340 0.037 0.000 0.208 45 R C 0.963 177.222 176.300 -0.068 0.000 0.914 45 R CA -0.240 55.840 56.100 -0.033 0.000 1.060 45 R CB 0.003 30.282 30.300 -0.036 0.000 1.015 45 R HN 0.374 nan 8.270 nan 0.000 0.498 46 R N 0.771 121.182 120.500 -0.149 0.000 2.585 46 R HA -0.140 4.222 4.340 0.037 0.000 0.275 46 R C -0.355 175.752 176.300 -0.322 0.000 1.018 46 R CA 0.647 56.534 56.100 -0.356 0.000 1.072 46 R CB 0.157 30.098 30.300 -0.597 0.000 0.953 46 R HN 0.124 nan 8.270 nan 0.000 0.419 47 F N -0.991 118.979 119.950 0.033 0.000 2.748 47 F HA -0.325 4.224 4.527 0.037 0.000 0.370 47 F C 0.146 175.943 175.800 -0.005 0.000 0.620 47 F CA 0.768 58.766 58.000 -0.004 0.000 1.233 47 F CB -1.703 37.285 39.000 -0.019 0.000 1.708 47 F HN 0.461 nan 8.300 nan 0.000 0.298 48 M N 0.774 120.443 119.600 0.114 0.000 2.444 48 M HA 0.434 4.936 4.480 0.037 0.000 0.319 48 M C -1.999 174.334 176.300 0.055 0.000 1.183 48 M CA -1.540 53.809 55.300 0.082 0.000 1.032 48 M CB 0.840 33.475 32.600 0.059 0.000 1.569 48 M HN -0.385 nan 8.290 nan 0.000 0.468 49 P HA 0.062 nan 4.420 nan 0.000 0.267 49 P C -2.458 174.874 177.300 0.052 0.000 1.201 49 P CA -0.477 62.661 63.100 0.063 0.000 0.775 49 P CB -0.521 31.225 31.700 0.076 0.000 0.854 50 P HA 0.129 nan 4.420 nan 0.000 0.275 50 P C -0.437 176.898 177.300 0.058 0.000 1.227 50 P CA 0.186 63.314 63.100 0.046 0.000 0.781 50 P CB 0.749 32.502 31.700 0.088 0.000 0.906 51 E N 3.316 123.533 120.200 0.029 0.000 2.242 51 E HA 0.375 4.747 4.350 0.037 0.000 0.275 51 E C -2.188 174.443 176.600 0.053 0.000 1.002 51 E CA -2.231 54.196 56.400 0.044 0.000 0.841 51 E CB 0.138 29.854 29.700 0.028 0.000 1.109 51 E HN 0.323 nan 8.360 nan 0.000 0.394 52 P HA 0.010 nan 4.420 nan 0.000 0.269 52 P C -0.311 177.049 177.300 0.101 0.000 1.209 52 P CA -0.226 62.949 63.100 0.125 0.000 0.776 52 P CB 0.427 32.211 31.700 0.141 0.000 0.876 53 K N 3.398 123.877 120.400 0.131 0.000 2.447 53 K HA 0.023 4.365 4.320 0.037 0.000 0.281 53 K C 0.029 176.740 176.600 0.185 0.000 1.031 53 K CA 0.419 56.790 56.287 0.140 0.000 1.019 53 K CB -0.017 32.608 32.500 0.207 0.000 0.918 53 K HN 0.261 nan 8.250 nan 0.000 0.476 54 R N 5.260 125.851 120.500 0.151 0.000 2.623 54 R HA 0.099 4.461 4.340 0.037 0.000 0.271 54 R C -1.967 174.459 176.300 0.210 0.000 1.043 54 R CA -1.458 54.725 56.100 0.139 0.000 1.083 54 R CB -0.059 30.304 30.300 0.106 0.000 0.974 54 R HN 0.573 nan 8.270 nan 0.000 0.436 55 P HA -0.125 nan 4.420 nan 0.000 0.267 55 P C -1.175 176.186 177.300 0.101 0.000 1.195 55 P CA 0.370 63.429 63.100 -0.069 0.000 0.773 55 P CB 0.309 31.940 31.700 -0.115 0.000 0.837 56 W N 0.703 122.036 121.300 0.055 0.000 2.902 56 W HA 0.684 5.366 4.660 0.037 0.000 0.346 56 W C -0.645 175.899 176.519 0.041 0.000 1.139 56 W CA -1.083 56.291 57.345 0.049 0.000 1.139 56 W CB 0.069 29.565 29.460 0.060 0.000 1.439 56 W HN 0.374 nan 8.180 nan 0.000 0.558 57 S N 1.638 117.511 115.700 0.288 0.000 2.610 57 S HA 0.741 5.233 4.470 0.037 0.000 0.273 57 S C 0.670 175.421 174.600 0.251 0.000 1.274 57 S CA 0.241 58.545 58.200 0.175 0.000 1.023 57 S CB 0.709 63.982 63.200 0.122 0.000 0.962 57 S HN 2.194 nan 8.310 nan 0.000 0.523 58 G N 0.660 109.555 108.800 0.157 0.000 2.575 58 G HA2 -0.198 3.784 3.960 0.037 0.000 0.267 58 G HA3 -0.198 3.784 3.960 0.037 0.000 0.267 58 G C -0.475 174.558 174.900 0.223 0.000 1.264 58 G CA -0.157 45.034 45.100 0.150 0.000 0.935 58 G HN 1.733 nan 8.290 nan 0.000 0.568 59 V N 0.825 120.845 119.914 0.176 0.000 2.333 59 V HA 0.498 4.640 4.120 0.037 0.000 0.274 59 V C 0.578 176.762 176.094 0.150 0.000 1.028 59 V CA -0.457 61.957 62.300 0.190 0.000 0.851 59 V CB 1.130 33.029 31.823 0.125 0.000 1.000 59 V HN 0.802 nan 8.190 nan 0.000 0.456 60 L N 4.588 125.912 121.223 0.169 0.000 2.418 60 L HA 0.323 4.685 4.340 0.037 0.000 0.274 60 L C 0.355 177.214 176.870 -0.018 0.000 1.135 60 L CA 0.194 54.997 54.840 -0.061 0.000 0.870 60 L CB 0.663 42.436 42.059 -0.477 0.000 1.154 60 L HN 0.781 nan 8.230 nan 0.000 0.462 61 D N 4.597 124.966 120.400 -0.052 0.000 2.348 61 D HA 0.309 4.971 4.640 0.037 0.000 0.259 61 D C -0.053 176.210 176.300 -0.062 0.000 1.296 61 D CA 0.326 54.301 54.000 -0.041 0.000 0.931 61 D CB 0.715 41.481 40.800 -0.056 0.000 1.067 61 D HN 0.650 nan 8.370 nan 0.000 0.503 62 A N 3.414 126.223 122.820 -0.019 0.000 3.213 62 A HA 0.281 4.623 4.320 0.037 0.000 0.308 62 A C 1.106 178.620 177.584 -0.115 0.000 1.177 62 A CA -0.283 51.736 52.037 -0.029 0.000 1.010 62 A CB -0.256 18.815 19.000 0.118 0.000 1.092 62 A HN 0.583 nan 8.150 nan 0.000 0.583 63 T N -3.172 111.292 114.554 -0.151 0.000 3.001 63 T HA 0.227 4.599 4.350 0.037 0.000 0.251 63 T C 0.764 175.312 174.700 -0.254 0.000 1.040 63 T CA 0.798 62.777 62.100 -0.201 0.000 0.985 63 T CB -0.165 68.615 68.868 -0.147 0.000 1.011 63 T HN 0.679 nan 8.240 nan 0.000 0.509 64 T N -0.344 114.064 114.554 -0.244 0.000 2.906 64 T HA 0.683 5.055 4.350 0.037 0.000 0.295 64 T C -0.661 173.883 174.700 -0.259 0.000 1.061 64 T CA -0.938 61.001 62.100 -0.268 0.000 1.000 64 T CB 1.013 69.791 68.868 -0.149 0.000 1.103 64 T HN -0.016 nan 8.240 nan 0.000 0.486 65 F N 1.910 121.795 119.950 -0.108 0.000 2.629 65 F HA 0.352 4.902 4.527 0.037 0.000 0.369 65 F C 1.087 176.787 175.800 -0.167 0.000 1.125 65 F CA 0.074 58.011 58.000 -0.105 0.000 1.330 65 F CB 0.269 39.235 39.000 -0.058 0.000 1.071 65 F HN 0.687 nan 8.300 nan 0.000 0.595 66 Q N 1.653 121.466 119.800 0.021 0.000 2.199 66 Q HA 0.335 4.697 4.340 0.037 0.000 0.205 66 Q C -0.398 175.508 176.000 -0.156 0.000 1.001 66 Q CA -0.671 54.974 55.803 -0.263 0.000 1.019 66 Q CB 0.603 28.876 28.738 -0.775 0.000 1.132 66 Q HN 0.499 nan 8.270 nan 0.000 0.530 67 N N -0.629 117.945 118.700 -0.210 0.000 2.374 67 N HA 0.044 4.806 4.740 0.037 0.000 0.241 67 N C -1.014 174.462 175.510 -0.057 0.000 1.262 67 N CA 0.055 53.041 53.050 -0.107 0.000 0.880 67 N CB 0.366 38.802 38.487 -0.085 0.000 1.105 67 N HN 0.304 nan 8.380 nan 0.000 0.438 68 V N 1.880 121.739 119.914 -0.092 0.000 2.530 68 V HA 0.059 4.201 4.120 0.037 0.000 0.282 68 V C 0.648 176.684 176.094 -0.096 0.000 1.048 68 V CA -0.786 61.445 62.300 -0.115 0.000 0.997 68 V CB 0.734 32.449 31.823 -0.180 0.000 0.987 68 V HN 0.705 nan 8.190 nan 0.000 0.477 69 c N 4.694 123.256 118.600 -0.062 0.000 2.634 69 c HA 0.048 4.640 4.570 0.037 0.000 0.417 69 c C 0.527 174.570 174.090 -0.078 0.000 1.334 69 c CA -0.487 55.816 56.329 -0.044 0.000 1.829 69 c CB -0.991 41.525 42.510 0.010 0.000 2.665 69 c HN 0.753 nan 8.230 nan 0.000 0.614 70 Y N 3.952 124.116 120.300 -0.226 0.000 2.632 70 Y HA 0.279 4.851 4.550 0.037 0.000 0.329 70 Y C 0.669 176.586 175.900 0.029 0.000 1.174 70 Y CA 0.965 58.931 58.100 -0.223 0.000 1.469 70 Y CB 0.137 38.247 38.460 -0.584 0.000 1.242 70 Y HN 0.764 nan 8.280 nan 0.000 0.540 71 Q N 4.482 124.209 119.800 -0.121 0.000 2.630 71 Q HA 0.236 4.598 4.340 0.037 0.000 0.295 71 Q C -2.009 174.077 176.000 0.144 0.000 0.944 71 Q CA -1.170 54.718 55.803 0.141 0.000 0.766 71 Q CB 1.266 30.029 28.738 0.041 0.000 1.471 71 Q HN 0.705 nan 8.270 nan 0.000 0.416 72 Y N 1.436 121.859 120.300 0.205 0.000 2.402 72 Y HA 0.407 4.979 4.550 0.036 0.000 0.333 72 Y C -0.924 175.039 175.900 0.105 0.000 1.076 72 Y CA -0.253 57.953 58.100 0.177 0.000 1.299 72 Y CB 1.013 39.624 38.460 0.251 0.000 1.197 72 Y HN 0.429 nan 8.280 nan 0.000 0.517 73 V N 6.690 126.263 119.914 -0.567 0.000 2.406 73 V HA 0.054 4.196 4.120 0.037 0.000 0.272 73 V C -0.200 175.485 176.094 -0.681 0.000 1.043 73 V CA -0.808 61.216 62.300 -0.461 0.000 0.915 73 V CB 1.132 32.767 31.823 -0.313 0.000 0.988 73 V HN 0.714 nan 8.190 nan 0.000 0.466 74 D N 3.925 124.150 120.400 -0.292 0.000 2.401 74 D HA 0.099 4.761 4.640 0.037 0.000 0.254 74 D C 0.918 177.179 176.300 -0.064 0.000 1.192 74 D CA 0.200 54.149 54.000 -0.084 0.000 0.885 74 D CB 1.187 42.081 40.800 0.157 0.000 1.147 74 D HN 0.741 nan 8.370 nan 0.000 0.478 75 T N 1.618 116.141 114.554 -0.052 0.000 3.293 75 T HA 0.108 4.480 4.350 0.037 0.000 0.276 75 T C 1.348 176.028 174.700 -0.033 0.000 1.003 75 T CA -0.572 61.506 62.100 -0.036 0.000 0.916 75 T CB -0.090 68.743 68.868 -0.059 0.000 1.134 75 T HN 0.227 nan 8.240 nan 0.000 0.530 76 L N 0.614 121.810 121.223 -0.045 0.000 2.007 76 L HA 0.322 4.684 4.340 0.037 0.000 0.205 76 L C -0.366 176.223 176.870 -0.469 0.000 1.073 76 L CA 1.455 56.115 54.840 -0.300 0.000 0.744 76 L CB -0.159 41.646 42.059 -0.424 0.000 0.898 76 L HN 0.430 nan 8.230 nan 0.000 0.435 77 Y N 0.099 120.431 120.300 0.054 0.000 2.526 77 Y HA 0.439 5.011 4.550 0.037 0.000 0.328 77 Y C -2.239 173.705 175.900 0.072 0.000 0.995 77 Y CA -3.678 54.435 58.100 0.021 0.000 1.304 77 Y CB 0.026 38.445 38.460 -0.069 0.000 1.096 77 Y HN 0.078 nan 8.280 nan 0.000 0.499 78 P HA 0.147 nan 4.420 nan 0.000 0.266 78 P C 0.979 178.333 177.300 0.090 0.000 1.215 78 P CA 1.019 64.171 63.100 0.087 0.000 0.763 78 P CB 0.762 32.487 31.700 0.042 0.000 0.806 79 G N 2.856 111.691 108.800 0.058 0.000 2.184 79 G HA2 -0.304 3.678 3.960 0.037 0.000 0.264 79 G HA3 -0.304 3.678 3.960 0.037 0.000 0.264 79 G C -0.006 174.910 174.900 0.027 0.000 0.975 79 G CA -0.325 44.784 45.100 0.015 0.000 0.642 79 G HN 0.557 nan 8.290 nan 0.000 0.536 80 F N 2.032 121.938 119.950 -0.073 0.000 2.502 80 F HA 0.551 5.099 4.527 0.036 0.000 0.371 80 F C 1.401 177.091 175.800 -0.184 0.000 1.083 80 F CA -0.233 57.675 58.000 -0.153 0.000 1.174 80 F CB 0.984 39.876 39.000 -0.179 0.000 1.096 80 F HN 0.199 nan 8.300 nan 0.000 0.545 81 E N 4.457 124.189 120.200 -0.780 0.000 2.086 81 E HA -0.202 4.170 4.350 0.037 0.000 0.205 81 E C 2.265 178.304 176.600 -0.934 0.000 1.027 81 E CA 2.421 58.376 56.400 -0.741 0.000 0.830 81 E CB -0.736 28.601 29.700 -0.605 0.000 0.751 81 E HN 0.919 nan 8.360 nan 0.000 0.456 82 G N -1.236 106.482 108.800 -1.803 0.000 2.475 82 G HA2 -0.340 3.642 3.960 0.037 0.000 0.220 82 G HA3 -0.340 3.642 3.960 0.037 0.000 0.220 82 G C 1.694 176.545 174.900 -0.082 0.000 1.125 82 G CA 1.948 46.354 45.100 -1.157 0.000 0.755 82 G HN 0.522 nan 8.290 nan 0.000 0.565 83 T N -2.176 112.333 114.554 -0.074 0.000 3.033 83 T HA 0.145 4.517 4.350 0.037 0.000 0.248 83 T C 1.914 176.728 174.700 0.190 0.000 1.040 83 T CA 0.821 63.171 62.100 0.416 0.000 1.133 83 T CB 0.059 69.259 68.868 0.554 0.000 0.895 83 T HN 0.137 nan 8.240 nan 0.000 0.465 84 E N 2.170 122.344 120.200 -0.044 0.000 2.204 84 E HA -0.039 4.333 4.350 0.037 0.000 0.194 84 E C 2.146 178.634 176.600 -0.187 0.000 0.989 84 E CA 1.069 57.413 56.400 -0.093 0.000 0.824 84 E CB -0.442 29.179 29.700 -0.132 0.000 0.756 84 E HN 0.808 nan 8.360 nan 0.000 0.477 85 M N -2.717 116.679 119.600 -0.340 0.000 2.632 85 M HA -0.001 4.501 4.480 0.037 0.000 0.256 85 M C 1.169 177.074 176.300 -0.659 0.000 1.080 85 M CA 1.167 56.126 55.300 -0.567 0.000 1.084 85 M CB -0.360 31.785 32.600 -0.758 0.000 1.439 85 M HN -0.021 nan 8.290 nan 0.000 0.509 86 W N 0.453 121.661 121.300 -0.154 0.000 2.907 86 W HA 0.294 4.975 4.660 0.036 0.000 0.271 86 W C 0.644 177.052 176.519 -0.186 0.000 1.253 86 W CA -0.891 56.352 57.345 -0.170 0.000 1.501 86 W CB -0.059 29.341 29.460 -0.099 0.000 1.047 86 W HN 0.073 nan 8.180 nan 0.000 0.610 87 N N 1.737 120.446 118.700 0.016 0.000 2.415 87 N HA 0.066 4.828 4.740 0.037 0.000 0.248 87 N C -2.446 172.979 175.510 -0.141 0.000 1.271 87 N CA -0.907 52.103 53.050 -0.067 0.000 0.913 87 N CB -0.236 38.207 38.487 -0.072 0.000 1.129 87 N HN -0.334 nan 8.380 nan 0.000 0.444 88 P HA 0.035 nan 4.420 nan 0.000 0.263 88 P C 0.275 177.467 177.300 -0.180 0.000 1.195 88 P CA 0.056 63.040 63.100 -0.194 0.000 0.762 88 P CB 0.209 31.787 31.700 -0.203 0.000 0.799 89 N N 2.953 121.536 118.700 -0.196 0.000 2.230 89 N HA 0.049 4.811 4.740 0.037 0.000 0.202 89 N C 0.207 175.633 175.510 -0.140 0.000 1.119 89 N CA 0.129 53.077 53.050 -0.171 0.000 0.851 89 N CB 0.307 38.677 38.487 -0.195 0.000 0.990 89 N HN 0.150 nan 8.380 nan 0.000 0.497 90 R N -0.010 120.404 120.500 -0.144 0.000 2.905 90 R HA 0.340 4.702 4.340 0.037 0.000 0.260 90 R C -0.570 175.660 176.300 -0.116 0.000 1.086 90 R CA -0.827 55.208 56.100 -0.109 0.000 0.978 90 R CB 0.303 30.551 30.300 -0.086 0.000 1.215 90 R HN 0.062 nan 8.270 nan 0.000 0.480 91 E N 0.907 121.049 120.200 -0.097 0.000 2.481 91 E HA 0.010 4.382 4.350 0.037 0.000 0.263 91 E C -0.376 176.158 176.600 -0.111 0.000 0.992 91 E CA 0.352 56.696 56.400 -0.093 0.000 0.938 91 E CB 0.314 29.971 29.700 -0.071 0.000 0.933 91 E HN 0.257 nan 8.360 nan 0.000 0.453 92 L N 2.689 123.832 121.223 -0.134 0.000 2.395 92 L HA 0.429 4.791 4.340 0.037 0.000 0.269 92 L C 0.207 177.062 176.870 -0.025 0.000 1.133 92 L CA -0.194 54.536 54.840 -0.183 0.000 0.812 92 L CB 1.146 42.932 42.059 -0.455 0.000 1.125 92 L HN 0.448 nan 8.230 nan 0.000 0.452 93 S N 0.513 116.228 115.700 0.025 0.000 2.578 93 S HA 0.140 4.632 4.470 0.037 0.000 0.285 93 S C 0.127 174.722 174.600 -0.008 0.000 1.126 93 S CA -0.678 57.558 58.200 0.061 0.000 0.878 93 S CB 1.355 64.557 63.200 0.004 0.000 1.091 93 S HN 0.755 nan 8.310 nan 0.000 0.450 94 E N 1.054 121.193 120.200 -0.103 0.000 2.268 94 E HA -0.085 4.287 4.350 0.037 0.000 0.195 94 E C -0.257 176.277 176.600 -0.110 0.000 0.995 94 E CA 0.613 56.882 56.400 -0.218 0.000 0.836 94 E CB 0.085 29.604 29.700 -0.302 0.000 0.763 94 E HN 0.532 nan 8.360 nan 0.000 0.491 95 D N 0.221 120.596 120.400 -0.042 0.000 2.422 95 D HA 0.014 4.676 4.640 0.037 0.000 0.227 95 D C -0.002 176.395 176.300 0.161 0.000 1.190 95 D CA -0.352 53.665 54.000 0.028 0.000 0.905 95 D CB 0.163 40.990 40.800 0.044 0.000 1.034 95 D HN 0.125 nan 8.370 nan 0.000 0.507 96 c N 2.647 121.332 118.600 0.140 0.000 3.935 96 c HA 0.328 4.920 4.570 0.037 0.000 0.301 96 c C 0.599 174.796 174.090 0.179 0.000 1.874 96 c CA -0.637 55.840 56.329 0.246 0.000 1.723 96 c CB -1.209 41.354 42.510 0.089 0.000 3.192 96 c HN 0.467 nan 8.230 nan 0.000 0.577 97 L N 2.462 123.504 121.223 -0.302 0.000 2.384 97 L HA 0.363 4.725 4.340 0.037 0.000 0.258 97 L C -0.996 175.239 176.870 -1.058 0.000 1.266 97 L CA 0.662 55.068 54.840 -0.722 0.000 1.162 97 L CB -0.826 40.639 42.059 -0.990 0.000 1.375 97 L HN 0.413 nan 8.230 nan 0.000 0.420 98 Y N 1.452 121.743 120.300 -0.015 0.000 2.477 98 Y HA 0.553 5.125 4.550 0.037 0.000 0.347 98 Y C -0.015 176.075 175.900 0.316 0.000 0.981 98 Y CA -1.285 56.882 58.100 0.113 0.000 1.033 98 Y CB 1.963 40.431 38.460 0.013 0.000 1.245 98 Y HN 0.184 nan 8.280 nan 0.000 0.455 99 L N 0.237 121.650 121.223 0.316 0.000 2.304 99 L HA 0.767 5.129 4.340 0.037 0.000 0.268 99 L C -0.959 175.929 176.870 0.030 0.000 1.010 99 L CA -1.158 53.745 54.840 0.104 0.000 0.813 99 L CB 1.274 43.219 42.059 -0.190 0.000 1.315 99 L HN 0.481 nan 8.230 nan 0.000 0.445 100 N N -0.163 118.554 118.700 0.028 0.000 2.240 100 N HA 0.691 5.453 4.740 0.037 0.000 0.302 100 N C -1.536 173.876 175.510 -0.164 0.000 1.106 100 N CA -0.462 52.506 53.050 -0.137 0.000 0.778 100 N CB 2.804 41.180 38.487 -0.184 0.000 1.431 100 N HN 0.474 nan 8.380 nan 0.000 0.479 101 V N 1.265 121.013 119.914 -0.276 0.000 2.531 101 V HA 0.419 4.561 4.120 0.037 0.000 0.301 101 V C -0.757 175.253 176.094 -0.140 0.000 1.034 101 V CA -0.803 61.425 62.300 -0.119 0.000 0.865 101 V CB 2.074 33.710 31.823 -0.311 0.000 0.995 101 V HN 0.554 nan 8.190 nan 0.000 0.424 102 W N 2.543 123.946 121.300 0.172 0.000 2.433 102 W HA 0.637 5.319 4.660 0.037 0.000 0.315 102 W C 0.199 176.828 176.519 0.183 0.000 1.087 102 W CA -0.319 57.125 57.345 0.165 0.000 1.205 102 W CB 2.116 31.652 29.460 0.127 0.000 1.288 102 W HN 0.519 nan 8.180 nan 0.000 0.504 103 T N 3.594 118.395 114.554 0.411 0.000 2.896 103 T HA 0.477 4.849 4.350 0.037 0.000 0.297 103 T C -2.602 172.272 174.700 0.289 0.000 1.108 103 T CA -2.178 60.126 62.100 0.340 0.000 1.004 103 T CB 1.914 71.015 68.868 0.388 0.000 1.159 103 T HN -0.086 nan 8.240 nan 0.000 0.499 104 P HA 0.139 nan 4.420 nan 0.000 0.267 104 P C -1.699 175.735 177.300 0.223 0.000 1.200 104 P CA 0.166 63.382 63.100 0.193 0.000 0.772 104 P CB 0.055 31.839 31.700 0.139 0.000 0.855 105 Y N 4.427 124.780 120.300 0.089 0.000 2.334 105 Y HA 0.389 4.961 4.550 0.037 0.000 0.336 105 Y C -1.966 173.966 175.900 0.053 0.000 0.960 105 Y CA -2.489 55.654 58.100 0.072 0.000 1.164 105 Y CB 1.075 39.564 38.460 0.048 0.000 1.155 105 Y HN 0.349 nan 8.280 nan 0.000 0.478 106 P HA 0.120 nan 4.420 nan 0.000 0.272 106 P C -0.882 176.381 177.300 -0.062 0.000 1.240 106 P CA -0.514 62.439 63.100 -0.246 0.000 0.791 106 P CB 0.862 32.455 31.700 -0.178 0.000 0.978 107 R N 1.658 122.118 120.500 -0.068 0.000 2.478 107 R HA -0.015 4.347 4.340 0.037 0.000 0.281 107 R C -1.838 174.478 176.300 0.026 0.000 0.939 107 R CA -0.464 55.651 56.100 0.024 0.000 1.120 107 R CB -0.882 29.421 30.300 0.004 0.000 0.885 107 R HN 0.361 nan 8.270 nan 0.000 0.415 108 P HA -0.026 nan 4.420 nan 0.000 0.265 108 P C -0.450 176.866 177.300 0.025 0.000 1.193 108 P CA 0.306 63.434 63.100 0.046 0.000 0.765 108 P CB 1.118 32.856 31.700 0.063 0.000 0.823 109 A N 2.864 125.693 122.820 0.016 0.000 1.902 109 A HA -0.034 4.308 4.320 0.037 0.000 0.217 109 A C 1.005 178.592 177.584 0.005 0.000 1.181 109 A CA 1.709 53.749 52.037 0.006 0.000 0.623 109 A CB -0.762 18.240 19.000 0.004 0.000 0.818 109 A HN 0.635 nan 8.150 nan 0.000 0.443 110 S N -1.479 114.226 115.700 0.009 0.000 2.638 110 S HA 0.633 5.125 4.470 0.037 0.000 0.302 110 S C -3.206 171.401 174.600 0.012 0.000 1.096 110 S CA -1.944 56.260 58.200 0.006 0.000 0.953 110 S CB 1.209 64.409 63.200 0.002 0.000 1.107 110 S HN -0.009 nan 8.310 nan 0.000 0.503 111 P HA 0.146 nan 4.420 nan 0.000 0.258 111 P C -0.564 176.742 177.300 0.011 0.000 1.172 111 P CA 0.445 63.550 63.100 0.009 0.000 0.762 111 P CB -0.114 31.583 31.700 -0.005 0.000 0.764 112 T N 5.153 119.724 114.554 0.027 0.000 2.859 112 T HA 0.427 4.799 4.350 0.037 0.000 0.281 112 T C -2.444 172.270 174.700 0.023 0.000 1.005 112 T CA -2.139 59.978 62.100 0.029 0.000 1.025 112 T CB 0.877 69.778 68.868 0.055 0.000 0.977 112 T HN 0.116 nan 8.240 nan 0.000 0.458 113 P HA 0.180 nan 4.420 nan 0.000 0.266 113 P C -0.910 176.412 177.300 0.037 0.000 1.195 113 P CA -0.236 62.863 63.100 -0.003 0.000 0.768 113 P CB 0.397 32.081 31.700 -0.027 0.000 0.838 114 V N 4.907 124.854 119.914 0.056 0.000 2.435 114 V HA 0.328 4.470 4.120 0.037 0.000 0.290 114 V C -0.103 176.066 176.094 0.125 0.000 1.030 114 V CA -0.511 61.852 62.300 0.105 0.000 0.881 114 V CB 1.513 33.410 31.823 0.123 0.000 0.983 114 V HN 0.330 nan 8.190 nan 0.000 0.445 115 L N 6.465 127.782 121.223 0.156 0.000 2.325 115 L HA 0.625 4.987 4.340 0.037 0.000 0.281 115 L C -0.490 176.612 176.870 0.388 0.000 1.004 115 L CA -0.264 54.684 54.840 0.180 0.000 0.823 115 L CB 1.403 43.461 42.059 -0.002 0.000 1.236 115 L HN 0.508 nan 8.230 nan 0.000 0.415 116 I N 4.420 125.263 120.570 0.454 0.000 2.330 116 I HA 0.221 4.413 4.170 0.037 0.000 0.289 116 I C -0.618 175.807 176.117 0.513 0.000 1.001 116 I CA -0.609 60.951 61.300 0.433 0.000 1.193 116 I CB 1.289 39.412 38.000 0.206 0.000 1.345 116 I HN 0.616 nan 8.210 nan 0.000 0.461 117 W N 8.367 129.796 121.300 0.215 0.000 2.315 117 W HA 0.537 5.218 4.660 0.036 0.000 0.316 117 W C -1.404 175.031 176.519 -0.139 0.000 1.211 117 W CA -0.565 56.663 57.345 -0.195 0.000 1.201 117 W CB 1.146 30.535 29.460 -0.119 0.000 1.184 117 W HN 0.357 nan 8.180 nan 0.000 0.544 118 I N 9.014 128.954 120.570 -1.049 0.000 2.420 118 I HA 0.068 4.260 4.170 0.037 0.000 0.282 118 I C -0.242 175.084 176.117 -1.319 0.000 1.019 118 I CA -1.096 59.668 61.300 -0.893 0.000 1.130 118 I CB 0.632 38.270 38.000 -0.602 0.000 1.262 118 I HN 0.326 nan 8.210 nan 0.000 0.454 119 Y N 4.468 124.302 120.300 -0.776 0.000 2.459 119 Y HA 0.595 5.167 4.550 0.036 0.000 0.349 119 Y C 0.879 176.584 175.900 -0.326 0.000 1.266 119 Y CA -0.510 57.230 58.100 -0.600 0.000 1.483 119 Y CB -0.100 38.218 38.460 -0.237 0.000 1.362 119 Y HN 0.538 nan 8.280 nan 0.000 0.628 120 G N -1.160 107.619 108.800 -0.036 0.000 2.702 120 G HA2 0.490 4.472 3.960 0.037 0.000 0.254 120 G HA3 0.490 4.472 3.960 0.037 0.000 0.254 120 G C 0.330 175.202 174.900 -0.047 0.000 1.380 120 G CA -0.930 44.101 45.100 -0.115 0.000 1.042 120 G HN 1.700 nan 8.290 nan 0.000 0.557 121 G N -2.860 105.755 108.800 -0.308 0.000 2.215 121 G HA2 0.401 4.383 3.960 0.037 0.000 0.187 121 G HA3 0.401 4.383 3.960 0.037 0.000 0.187 121 G C 1.039 175.496 174.900 -0.738 0.000 1.039 121 G CA 0.737 45.550 45.100 -0.478 0.000 0.771 121 G HN 2.323 nan 8.290 nan 0.000 0.507 122 G N -0.286 108.039 108.800 -0.792 0.000 2.225 122 G HA2 -0.101 3.881 3.960 0.037 0.000 0.267 122 G HA3 -0.101 3.881 3.960 0.037 0.000 0.267 122 G C 0.858 175.497 174.900 -0.435 0.000 1.024 122 G CA 0.610 44.955 45.100 -1.258 0.000 0.784 122 G HN 1.734 nan 8.290 nan 0.000 0.507 123 F N -3.212 116.655 119.950 -0.137 0.000 3.021 123 F HA -0.324 4.225 4.527 0.037 0.000 0.294 123 F C 1.435 177.400 175.800 0.276 0.000 0.761 123 F CA 2.261 60.311 58.000 0.084 0.000 1.102 123 F CB -2.105 36.755 39.000 -0.233 0.000 1.380 123 F HN 0.970 nan 8.300 nan 0.000 0.387 124 Y N -1.333 119.085 120.300 0.198 0.000 2.471 124 Y HA 0.626 5.198 4.550 0.036 0.000 0.249 124 Y C 0.531 176.541 175.900 0.182 0.000 1.116 124 Y CA 0.294 58.546 58.100 0.253 0.000 1.240 124 Y CB 0.083 38.677 38.460 0.225 0.000 1.251 124 Y HN 0.085 nan 8.280 nan 0.000 0.527 125 S N -0.711 114.703 115.700 -0.478 0.000 2.672 125 S HA 0.883 5.375 4.470 0.037 0.000 0.271 125 S C -0.121 174.291 174.600 -0.315 0.000 1.171 125 S CA -0.481 57.465 58.200 -0.422 0.000 0.817 125 S CB 1.453 64.272 63.200 -0.634 0.000 1.150 125 S HN 1.420 nan 8.310 nan 0.000 0.478 126 G N -0.585 107.977 108.800 -0.398 0.000 2.479 126 G HA2 0.549 4.531 3.960 0.037 0.000 0.686 126 G HA3 0.549 4.531 3.960 0.037 0.000 0.686 126 G C -0.591 173.555 174.900 -1.256 0.000 1.295 126 G CA -0.298 44.373 45.100 -0.715 0.000 0.922 126 G HN 2.404 nan 8.290 nan 0.000 0.582 127 A N -1.589 120.204 122.820 -1.711 0.000 2.585 127 A HA 0.937 5.279 4.320 0.037 0.000 0.299 127 A C 0.433 177.781 177.584 -0.393 0.000 1.047 127 A CA 0.848 52.332 52.037 -0.922 0.000 0.723 127 A CB 0.594 19.327 19.000 -0.446 0.000 1.275 127 A HN 2.611 nan 8.150 nan 0.000 0.408 128 A N 0.609 123.451 122.820 0.036 0.000 2.238 128 A HA 0.305 4.648 4.320 0.037 0.000 0.208 128 A C 1.626 179.220 177.584 0.016 0.000 1.177 128 A CA 1.690 53.921 52.037 0.323 0.000 0.804 128 A CB -0.554 18.716 19.000 0.451 0.000 0.823 128 A HN 1.824 nan 8.150 nan 0.000 0.482 129 S N -0.519 114.933 115.700 -0.414 0.000 2.575 129 S HA 0.301 4.793 4.470 0.037 0.000 0.215 129 S C 0.486 174.637 174.600 -0.748 0.000 0.966 129 S CA -0.404 57.059 58.200 -1.228 0.000 0.911 129 S CB -0.502 61.972 63.200 -1.209 0.000 0.780 129 S HN 0.394 nan 8.310 nan 0.000 0.514 130 L N 2.517 123.478 121.223 -0.436 0.000 2.485 130 L HA 0.126 4.488 4.340 0.037 0.000 0.275 130 L C 1.151 177.678 176.870 -0.571 0.000 1.207 130 L CA -0.419 54.109 54.840 -0.520 0.000 0.855 130 L CB 0.236 41.882 42.059 -0.688 0.000 1.114 130 L HN 0.053 nan 8.230 nan 0.000 0.485 131 D N 1.378 121.488 120.400 -0.484 0.000 2.172 131 D HA -0.170 4.492 4.640 0.037 0.000 0.196 131 D C 1.918 177.907 176.300 -0.519 0.000 0.999 131 D CA 1.484 55.251 54.000 -0.389 0.000 0.856 131 D CB -0.018 40.586 40.800 -0.326 0.000 0.934 131 D HN 0.529 nan 8.370 nan 0.000 0.453 132 V N -1.762 117.667 119.914 -0.809 0.000 3.305 132 V HA -0.113 4.029 4.120 0.037 0.000 0.269 132 V C 0.586 175.941 176.094 -1.232 0.000 1.157 132 V CA 0.865 62.631 62.300 -0.890 0.000 1.157 132 V CB -1.135 30.152 31.823 -0.893 0.000 0.772 132 V HN 0.076 nan 8.190 nan 0.000 0.498 133 Y N 0.191 119.827 120.300 -1.107 0.000 2.751 133 Y HA 0.516 5.088 4.550 0.036 0.000 0.289 133 Y C 0.482 175.762 175.900 -1.033 0.000 1.110 133 Y CA -2.242 54.750 58.100 -1.847 0.000 1.251 133 Y CB -0.649 37.167 38.460 -1.073 0.000 1.178 133 Y HN 0.177 nan 8.280 nan 0.000 0.540 134 D N 0.639 120.696 120.400 -0.572 0.000 2.339 134 D HA 0.127 4.789 4.640 0.037 0.000 0.256 134 D C 1.377 177.384 176.300 -0.488 0.000 1.214 134 D CA 0.319 54.074 54.000 -0.408 0.000 0.877 134 D CB 1.518 42.245 40.800 -0.121 0.000 1.111 134 D HN 0.525 nan 8.370 nan 0.000 0.478 135 G N 4.107 111.967 108.800 -1.567 0.000 2.650 135 G HA2 -0.191 3.791 3.960 0.037 0.000 0.214 135 G HA3 -0.191 3.791 3.960 0.037 0.000 0.214 135 G C 1.469 175.920 174.900 -0.749 0.000 1.136 135 G CA 0.076 44.528 45.100 -1.081 0.000 0.789 135 G HN 0.531 nan 8.290 nan 0.000 0.536 136 R N -0.270 119.645 120.500 -0.974 0.000 2.133 136 R HA -0.196 4.166 4.340 0.037 0.000 0.245 136 R C 2.069 178.116 176.300 -0.421 0.000 1.137 136 R CA 1.982 57.734 56.100 -0.580 0.000 0.947 136 R CB -0.459 29.388 30.300 -0.755 0.000 0.865 136 R HN 0.402 nan 8.270 nan 0.000 0.437 137 F N 0.505 120.367 119.950 -0.147 0.000 2.146 137 F HA -0.099 4.450 4.527 0.038 0.000 0.298 137 F C 2.330 178.075 175.800 -0.091 0.000 1.096 137 F CA 0.873 58.810 58.000 -0.104 0.000 1.275 137 F CB -0.489 38.437 39.000 -0.123 0.000 1.008 137 F HN -0.003 nan 8.300 nan 0.000 0.480 138 L N -0.317 120.943 121.223 0.062 0.000 2.093 138 L HA -0.164 4.198 4.340 0.037 0.000 0.208 138 L C 2.706 179.592 176.870 0.026 0.000 1.085 138 L CA 0.927 55.766 54.840 -0.002 0.000 0.755 138 L CB -0.907 41.103 42.059 -0.082 0.000 0.904 138 L HN 0.176 nan 8.230 nan 0.000 0.435 139 A N -0.596 122.250 122.820 0.043 0.000 1.841 139 A HA -0.285 4.057 4.320 0.037 0.000 0.216 139 A C 2.272 179.903 177.584 0.079 0.000 1.199 139 A CA 1.807 53.904 52.037 0.100 0.000 0.621 139 A CB -0.728 18.374 19.000 0.171 0.000 0.835 139 A HN 0.374 nan 8.150 nan 0.000 0.445 140 Q N -0.256 119.574 119.800 0.049 0.000 2.061 140 Q HA -0.131 4.231 4.340 0.037 0.000 0.204 140 Q C 2.220 178.249 176.000 0.048 0.000 0.984 140 Q CA 2.316 58.146 55.803 0.046 0.000 0.846 140 Q CB -0.396 28.347 28.738 0.007 0.000 0.902 140 Q HN 0.428 nan 8.270 nan 0.000 0.421 141 V N 0.797 120.739 119.914 0.046 0.000 2.446 141 V HA -0.088 4.054 4.120 0.037 0.000 0.244 141 V C 1.794 177.905 176.094 0.028 0.000 1.039 141 V CA 1.449 63.772 62.300 0.038 0.000 1.045 141 V CB -0.143 31.704 31.823 0.040 0.000 0.681 141 V HN 0.216 nan 8.190 nan 0.000 0.459 142 E N -0.238 119.977 120.200 0.026 0.000 2.476 142 E HA 0.203 4.575 4.350 0.037 0.000 0.199 142 E C 1.725 178.343 176.600 0.031 0.000 1.021 142 E CA 0.760 57.171 56.400 0.019 0.000 0.907 142 E CB 0.655 30.359 29.700 0.006 0.000 0.974 142 E HN 0.590 nan 8.360 nan 0.000 0.489 143 G N 1.559 110.386 108.800 0.046 0.000 2.148 143 G HA2 -0.305 3.677 3.960 0.037 0.000 0.254 143 G HA3 -0.305 3.677 3.960 0.037 0.000 0.254 143 G C 0.499 175.440 174.900 0.069 0.000 0.981 143 G CA 0.368 45.504 45.100 0.059 0.000 0.670 143 G HN 0.486 nan 8.290 nan 0.000 0.528 144 A N -0.559 122.301 122.820 0.067 0.000 2.340 144 A HA 0.730 5.072 4.320 0.037 0.000 0.268 144 A C 0.505 178.164 177.584 0.126 0.000 1.100 144 A CA 0.051 52.132 52.037 0.075 0.000 0.803 144 A CB 1.220 20.246 19.000 0.043 0.000 1.043 144 A HN 1.114 nan 8.150 nan 0.000 0.488 145 V N 2.975 122.972 119.914 0.138 0.000 2.385 145 V HA 0.303 4.445 4.120 0.037 0.000 0.269 145 V C 0.023 176.245 176.094 0.214 0.000 1.043 145 V CA -0.002 62.410 62.300 0.186 0.000 0.906 145 V CB 0.582 32.502 31.823 0.161 0.000 0.995 145 V HN 0.722 nan 8.190 nan 0.000 0.467 146 L N 6.363 127.772 121.223 0.309 0.000 2.329 146 L HA 0.772 5.134 4.340 0.037 0.000 0.279 146 L C -0.834 176.335 176.870 0.498 0.000 1.014 146 L CA -0.285 54.790 54.840 0.392 0.000 0.814 146 L CB 1.867 44.154 42.059 0.382 0.000 1.257 146 L HN 0.448 nan 8.230 nan 0.000 0.424 147 V N 2.990 123.185 119.914 0.468 0.000 2.638 147 V HA 0.661 4.803 4.120 0.037 0.000 0.306 147 V C -0.540 175.832 176.094 0.462 0.000 1.052 147 V CA -0.478 62.056 62.300 0.390 0.000 0.885 147 V CB 1.861 33.833 31.823 0.250 0.000 0.999 147 V HN 0.841 nan 8.190 nan 0.000 0.424 148 S N 5.051 121.029 115.700 0.464 0.000 2.548 148 S HA 0.890 5.382 4.470 0.037 0.000 0.286 148 S C -0.737 174.036 174.600 0.288 0.000 1.098 148 S CA -0.868 57.599 58.200 0.445 0.000 0.930 148 S CB 2.276 65.871 63.200 0.659 0.000 1.070 148 S HN 0.881 nan 8.310 nan 0.000 0.480 149 M N 1.210 120.944 119.600 0.224 0.000 2.664 149 M HA 0.647 5.149 4.480 0.037 0.000 0.314 149 M C -1.457 175.065 176.300 0.370 0.000 1.200 149 M CA -0.739 54.675 55.300 0.190 0.000 0.916 149 M CB 1.299 33.881 32.600 -0.030 0.000 1.717 149 M HN 0.499 nan 8.290 nan 0.000 0.470 150 N N 1.716 120.683 118.700 0.445 0.000 2.509 150 N HA 0.587 5.349 4.740 0.037 0.000 0.287 150 N C -1.507 174.272 175.510 0.448 0.000 1.121 150 N CA -0.053 53.264 53.050 0.445 0.000 0.977 150 N CB 0.998 39.681 38.487 0.325 0.000 1.167 150 N HN 0.749 nan 8.380 nan 0.000 0.476 151 Y N -2.067 118.414 120.300 0.302 0.000 2.553 151 Y HA 0.575 5.146 4.550 0.036 0.000 0.347 151 Y C -0.067 175.975 175.900 0.235 0.000 1.019 151 Y CA -1.329 56.904 58.100 0.222 0.000 1.032 151 Y CB 0.995 39.516 38.460 0.102 0.000 1.284 151 Y HN 0.184 nan 8.280 nan 0.000 0.466 152 R N 1.771 122.445 120.500 0.290 0.000 2.590 152 R HA 0.501 4.863 4.340 0.037 0.000 0.274 152 R C -0.437 176.056 176.300 0.322 0.000 1.061 152 R CA -0.195 56.026 56.100 0.202 0.000 1.081 152 R CB 0.988 31.360 30.300 0.121 0.000 0.984 152 R HN 0.724 nan 8.270 nan 0.000 0.448 153 V N -0.606 119.530 119.914 0.370 0.000 3.126 153 V HA 0.894 5.036 4.120 0.037 0.000 0.314 153 V C 0.583 177.037 176.094 0.600 0.000 1.138 153 V CA -0.094 62.547 62.300 0.569 0.000 1.034 153 V CB 1.290 33.350 31.823 0.396 0.000 1.075 153 V HN 0.977 nan 8.190 nan 0.000 0.442 154 G N 1.977 111.180 108.800 0.671 0.000 2.564 154 G HA2 -0.259 3.723 3.960 0.037 0.000 0.273 154 G HA3 -0.259 3.723 3.960 0.037 0.000 0.273 154 G C 0.983 176.046 174.900 0.271 0.000 1.242 154 G CA 1.317 46.741 45.100 0.540 0.000 0.951 154 G HN 2.390 nan 8.290 nan 0.000 0.564 155 T N -1.565 112.857 114.554 -0.220 0.000 2.665 155 T HA -0.146 4.226 4.350 0.037 0.000 0.268 155 T C 2.149 176.732 174.700 -0.195 0.000 1.035 155 T CA 2.733 64.450 62.100 -0.639 0.000 1.151 155 T CB -0.517 67.859 68.868 -0.819 0.000 0.862 155 T HN 0.689 nan 8.240 nan 0.000 0.438 156 F N 2.287 122.312 119.950 0.124 0.000 2.202 156 F HA 0.162 4.711 4.527 0.036 0.000 0.301 156 F C 2.723 178.542 175.800 0.033 0.000 1.082 156 F CA 0.860 58.893 58.000 0.055 0.000 1.313 156 F CB -0.971 38.026 39.000 -0.004 0.000 1.024 156 F HN 0.402 nan 8.300 nan 0.000 0.495 157 G N -2.244 106.653 108.800 0.161 0.000 2.762 157 G HA2 0.072 4.054 3.960 0.037 0.000 0.209 157 G HA3 0.072 4.054 3.960 0.037 0.000 0.209 157 G C 0.808 175.289 174.900 -0.699 0.000 1.134 157 G CA 0.163 45.102 45.100 -0.268 0.000 0.781 157 G HN 0.358 nan 8.290 nan 0.000 0.528 158 F N -0.613 119.445 119.950 0.180 0.000 2.974 158 F HA 0.422 4.971 4.527 0.037 0.000 0.357 158 F C 0.325 176.215 175.800 0.151 0.000 1.114 158 F CA -0.946 57.142 58.000 0.145 0.000 1.099 158 F CB 0.351 39.452 39.000 0.168 0.000 1.205 158 F HN -0.089 nan 8.300 nan 0.000 0.535 159 L N 2.223 123.506 121.223 0.099 0.000 2.462 159 L HA 0.558 4.920 4.340 0.037 0.000 0.272 159 L C -0.004 176.850 176.870 -0.028 0.000 1.166 159 L CA 0.107 54.906 54.840 -0.069 0.000 0.880 159 L CB 0.455 42.223 42.059 -0.486 0.000 1.142 159 L HN 0.138 nan 8.230 nan 0.000 0.473 160 A N 6.323 129.162 122.820 0.033 0.000 2.422 160 A HA 0.656 4.998 4.320 0.037 0.000 0.302 160 A C -1.113 176.459 177.584 -0.021 0.000 1.041 160 A CA -0.584 51.455 52.037 0.003 0.000 0.708 160 A CB 1.265 20.298 19.000 0.055 0.000 1.257 160 A HN 0.702 nan 8.150 nan 0.000 0.414 161 L N 3.433 124.627 121.223 -0.048 0.000 2.371 161 L HA 0.321 4.683 4.340 0.037 0.000 0.262 161 L C -2.452 174.410 176.870 -0.012 0.000 1.054 161 L CA -1.819 53.000 54.840 -0.035 0.000 0.924 161 L CB 1.445 43.470 42.059 -0.058 0.000 1.295 161 L HN 0.413 nan 8.230 nan 0.000 0.441 162 P HA 0.078 nan 4.420 nan 0.000 0.266 162 P C 0.965 178.270 177.300 0.008 0.000 1.195 162 P CA 0.647 63.753 63.100 0.010 0.000 0.768 162 P CB 0.936 32.642 31.700 0.011 0.000 0.838 163 G N 1.394 110.203 108.800 0.015 0.000 2.225 163 G HA2 -0.249 3.733 3.960 0.037 0.000 0.254 163 G HA3 -0.249 3.733 3.960 0.037 0.000 0.254 163 G C 0.416 175.324 174.900 0.013 0.000 0.988 163 G CA 0.351 45.460 45.100 0.014 0.000 0.625 163 G HN 0.836 nan 8.290 nan 0.000 0.527 164 S N -0.541 115.166 115.700 0.011 0.000 2.617 164 S HA 0.621 5.113 4.470 0.037 0.000 0.269 164 S C 1.206 175.819 174.600 0.021 0.000 1.292 164 S CA 0.448 58.655 58.200 0.011 0.000 1.010 164 S CB 2.014 65.214 63.200 0.000 0.000 0.944 164 S HN 0.524 nan 8.310 nan 0.000 0.536 165 R N 0.543 121.057 120.500 0.024 0.000 2.127 165 R HA 0.005 4.367 4.340 0.037 0.000 0.217 165 R C 1.533 177.857 176.300 0.041 0.000 1.074 165 R CA 1.237 57.355 56.100 0.031 0.000 0.991 165 R CB -0.092 30.225 30.300 0.028 0.000 0.895 165 R HN 0.900 nan 8.270 nan 0.000 0.450 166 E N -0.747 119.477 120.200 0.041 0.000 2.460 166 E HA 0.077 4.449 4.350 0.037 0.000 0.200 166 E C -0.267 176.385 176.600 0.087 0.000 1.011 166 E CA 0.321 56.760 56.400 0.064 0.000 0.912 166 E CB 0.968 30.707 29.700 0.066 0.000 0.953 166 E HN 0.215 nan 8.360 nan 0.000 0.494 167 A N 2.706 125.552 122.820 0.043 0.000 3.266 167 A HA 0.375 4.717 4.320 0.037 0.000 0.310 167 A C -2.187 175.406 177.584 0.015 0.000 1.066 167 A CA -1.044 51.008 52.037 0.025 0.000 0.839 167 A CB 0.890 19.817 19.000 -0.121 0.000 1.192 167 A HN -0.080 nan 8.150 nan 0.000 0.496 168 P HA 0.168 nan 4.420 nan 0.000 0.241 168 P C 0.899 178.224 177.300 0.042 0.000 1.191 168 P CA 1.525 64.650 63.100 0.040 0.000 0.771 168 P CB 0.138 31.870 31.700 0.054 0.000 0.929 169 G N 1.160 109.984 108.800 0.040 0.000 2.781 169 G HA2 -0.215 3.767 3.960 0.037 0.000 0.683 169 G HA3 -0.215 3.767 3.960 0.037 0.000 0.683 169 G C -0.008 174.902 174.900 0.018 0.000 1.390 169 G CA -0.260 44.869 45.100 0.047 0.000 0.850 169 G HN 0.155 nan 8.290 nan 0.000 0.557 170 N N -2.534 116.176 118.700 0.016 0.000 2.828 170 N HA -0.283 4.479 4.740 0.037 0.000 0.248 170 N C 1.845 177.225 175.510 -0.216 0.000 1.044 170 N CA 2.448 55.442 53.050 -0.093 0.000 0.851 170 N CB -1.687 36.675 38.487 -0.208 0.000 1.136 170 N HN 1.913 nan 8.380 nan 0.000 0.572 171 V N -2.638 117.143 119.914 -0.223 0.000 2.626 171 V HA 0.013 4.155 4.120 0.037 0.000 0.252 171 V C 2.346 178.319 176.094 -0.200 0.000 1.067 171 V CA 2.284 64.502 62.300 -0.138 0.000 1.081 171 V CB -0.940 30.851 31.823 -0.055 0.000 0.686 171 V HN 0.268 nan 8.190 nan 0.000 0.468 172 G N 0.632 109.098 108.800 -0.557 0.000 2.440 172 G HA2 -0.195 3.787 3.960 0.037 0.000 0.218 172 G HA3 -0.195 3.787 3.960 0.037 0.000 0.218 172 G C 1.551 176.407 174.900 -0.074 0.000 1.154 172 G CA 1.303 46.186 45.100 -0.363 0.000 0.767 172 G HN 0.546 nan 8.290 nan 0.000 0.552 173 L N -0.232 120.911 121.223 -0.133 0.000 2.156 173 L HA 0.126 4.488 4.340 0.037 0.000 0.208 173 L C 2.784 179.705 176.870 0.086 0.000 1.095 173 L CA 0.276 55.033 54.840 -0.139 0.000 0.770 173 L CB -0.180 41.501 42.059 -0.631 0.000 0.914 173 L HN 0.173 nan 8.230 nan 0.000 0.439 174 L N -0.786 120.495 121.223 0.096 0.000 2.109 174 L HA -0.171 4.191 4.340 0.037 0.000 0.207 174 L C 2.143 179.150 176.870 0.228 0.000 1.086 174 L CA 0.759 55.743 54.840 0.239 0.000 0.760 174 L CB -0.548 41.625 42.059 0.189 0.000 0.910 174 L HN 0.249 nan 8.230 nan 0.000 0.437 175 D N 0.058 120.578 120.400 0.201 0.000 2.133 175 D HA -0.237 4.426 4.640 0.037 0.000 0.195 175 D C 2.254 178.728 176.300 0.290 0.000 0.997 175 D CA 1.336 55.531 54.000 0.326 0.000 0.840 175 D CB -0.145 40.856 40.800 0.335 0.000 0.947 175 D HN 0.407 nan 8.370 nan 0.000 0.452 176 Q N -0.124 119.780 119.800 0.173 0.000 2.079 176 Q HA -0.081 4.281 4.340 0.037 0.000 0.200 176 Q C 2.276 178.293 176.000 0.027 0.000 0.974 176 Q CA 0.838 56.668 55.803 0.045 0.000 0.840 176 Q CB -0.038 28.721 28.738 0.035 0.000 0.898 176 Q HN 0.187 nan 8.270 nan 0.000 0.430 177 R N 0.620 121.249 120.500 0.215 0.000 2.127 177 R HA -0.175 4.187 4.340 0.037 0.000 0.238 177 R C 2.096 178.469 176.300 0.122 0.000 1.134 177 R CA 0.983 57.199 56.100 0.193 0.000 0.975 177 R CB -0.145 30.359 30.300 0.340 0.000 0.865 177 R HN 0.225 nan 8.270 nan 0.000 0.447 178 L N 0.379 121.697 121.223 0.158 0.000 2.109 178 L HA 0.075 4.437 4.340 0.037 0.000 0.207 178 L C 2.234 179.155 176.870 0.086 0.000 1.086 178 L CA 1.868 56.825 54.840 0.196 0.000 0.760 178 L CB -0.455 41.804 42.059 0.334 0.000 0.910 178 L HN 0.218 nan 8.230 nan 0.000 0.437 179 A N -0.534 122.134 122.820 -0.253 0.000 1.902 179 A HA -0.176 4.166 4.320 0.037 0.000 0.217 179 A C 2.107 179.649 177.584 -0.070 0.000 1.181 179 A CA 1.903 53.630 52.037 -0.516 0.000 0.623 179 A CB -0.853 17.645 19.000 -0.837 0.000 0.818 179 A HN 0.402 nan 8.150 nan 0.000 0.443 180 L N -0.504 120.685 121.223 -0.056 0.000 2.042 180 L HA -0.210 4.152 4.340 0.037 0.000 0.210 180 L C 2.650 179.578 176.870 0.096 0.000 1.076 180 L CA 2.354 57.202 54.840 0.013 0.000 0.749 180 L CB -1.087 40.938 42.059 -0.057 0.000 0.893 180 L HN 0.576 nan 8.230 nan 0.000 0.432 181 Q N -1.515 118.354 119.800 0.114 0.000 2.084 181 Q HA -0.268 4.094 4.340 0.037 0.000 0.202 181 Q C 2.179 178.278 176.000 0.165 0.000 0.978 181 Q CA 1.761 57.641 55.803 0.129 0.000 0.844 181 Q CB -0.630 28.189 28.738 0.135 0.000 0.898 181 Q HN 0.507 nan 8.270 nan 0.000 0.426 182 W N -0.716 120.606 121.300 0.037 0.000 2.342 182 W HA -0.178 4.504 4.660 0.037 0.000 0.297 182 W C 1.680 178.236 176.519 0.062 0.000 1.213 182 W CA 1.657 59.042 57.345 0.065 0.000 1.251 182 W CB -0.111 29.391 29.460 0.069 0.000 1.136 182 W HN 0.027 nan 8.180 nan 0.000 0.526 183 V N 0.605 120.675 119.914 0.260 0.000 2.323 183 V HA -0.307 3.835 4.120 0.037 0.000 0.244 183 V C 2.547 178.641 176.094 0.001 0.000 1.041 183 V CA 1.928 64.310 62.300 0.136 0.000 1.025 183 V CB -0.943 31.002 31.823 0.203 0.000 0.656 183 V HN 0.135 nan 8.190 nan 0.000 0.451 184 Q N 0.087 119.907 119.800 0.033 0.000 2.112 184 Q HA -0.264 4.098 4.340 0.037 0.000 0.206 184 Q C 2.145 178.111 176.000 -0.057 0.000 0.987 184 Q CA 1.953 57.763 55.803 0.012 0.000 0.858 184 Q CB -0.302 28.455 28.738 0.031 0.000 0.905 184 Q HN 0.728 nan 8.270 nan 0.000 0.420 185 E N -0.625 119.499 120.200 -0.126 0.000 2.230 185 E HA -0.001 4.371 4.350 0.037 0.000 0.192 185 E C 1.232 177.665 176.600 -0.277 0.000 0.987 185 E CA 0.366 56.659 56.400 -0.179 0.000 0.841 185 E CB 0.264 29.862 29.700 -0.170 0.000 0.783 185 E HN 0.359 nan 8.360 nan 0.000 0.481 186 N N -0.161 118.279 118.700 -0.432 0.000 2.266 186 N HA 0.028 4.790 4.740 0.037 0.000 0.217 186 N C 1.566 176.973 175.510 -0.173 0.000 1.211 186 N CA 0.024 52.788 53.050 -0.477 0.000 0.881 186 N CB 0.457 38.286 38.487 -1.097 0.000 1.153 186 N HN 0.010 nan 8.380 nan 0.000 0.489 187 I N 2.806 123.313 120.570 -0.106 0.000 2.208 187 I HA -0.194 3.998 4.170 0.037 0.000 0.245 187 I C 2.296 178.517 176.117 0.172 0.000 1.097 187 I CA 0.923 62.294 61.300 0.119 0.000 1.363 187 I CB -0.401 37.641 38.000 0.069 0.000 1.051 187 I HN 0.101 nan 8.210 nan 0.000 0.413 188 A N 0.373 123.220 122.820 0.045 0.000 1.958 188 A HA -0.289 4.053 4.320 0.037 0.000 0.221 188 A C 2.479 180.059 177.584 -0.008 0.000 1.178 188 A CA 2.171 54.218 52.037 0.017 0.000 0.642 188 A CB -1.363 17.623 19.000 -0.023 0.000 0.816 188 A HN 0.539 nan 8.150 nan 0.000 0.453 189 A N -1.908 120.872 122.820 -0.068 0.000 2.076 189 A HA 0.042 4.384 4.320 0.037 0.000 0.220 189 A C 1.591 178.966 177.584 -0.347 0.000 1.160 189 A CA 1.425 53.317 52.037 -0.241 0.000 0.653 189 A CB -0.625 18.143 19.000 -0.388 0.000 0.801 189 A HN 0.540 nan 8.150 nan 0.000 0.455 190 F N -1.741 118.149 119.950 -0.101 0.000 2.678 190 F HA 0.393 4.942 4.527 0.037 0.000 0.305 190 F C 1.777 177.573 175.800 -0.006 0.000 1.090 190 F CA 0.502 58.456 58.000 -0.076 0.000 1.272 190 F CB 0.400 39.361 39.000 -0.066 0.000 1.060 190 F HN 0.321 nan 8.300 nan 0.000 0.576 191 G N 0.260 109.143 108.800 0.139 0.000 2.175 191 G HA2 -0.188 3.794 3.960 0.037 0.000 0.244 191 G HA3 -0.188 3.794 3.960 0.037 0.000 0.244 191 G C 0.681 175.642 174.900 0.101 0.000 0.982 191 G CA -0.275 44.883 45.100 0.097 0.000 0.641 191 G HN 0.706 nan 8.290 nan 0.000 0.527 192 G N -0.365 108.514 108.800 0.130 0.000 2.503 192 G HA2 0.456 4.438 3.960 0.037 0.000 0.257 192 G HA3 0.456 4.438 3.960 0.037 0.000 0.257 192 G C -0.622 174.315 174.900 0.061 0.000 1.214 192 G CA 0.357 45.517 45.100 0.099 0.000 0.839 192 G HN 0.227 nan 8.290 nan 0.000 0.559 193 D N 1.491 121.915 120.400 0.039 0.000 2.396 193 D HA 0.267 4.929 4.640 0.037 0.000 0.225 193 D C -1.111 175.199 176.300 0.015 0.000 1.121 193 D CA -2.398 51.608 54.000 0.009 0.000 0.853 193 D CB 1.810 42.595 40.800 -0.024 0.000 1.043 193 D HN 0.059 nan 8.370 nan 0.000 0.500 194 P HA -0.072 nan 4.420 nan 0.000 0.234 194 P C 0.993 178.356 177.300 0.105 0.000 1.167 194 P CA 0.600 63.743 63.100 0.072 0.000 0.763 194 P CB 0.140 31.870 31.700 0.050 0.000 0.835 195 M N -1.043 118.543 119.600 -0.022 0.000 2.530 195 M HA 0.117 4.619 4.480 0.037 0.000 0.231 195 M C 0.459 176.341 176.300 -0.697 0.000 1.180 195 M CA 0.320 55.503 55.300 -0.196 0.000 0.985 195 M CB 0.165 32.701 32.600 -0.107 0.000 1.623 195 M HN -0.173 nan 8.290 nan 0.000 0.475 196 S N 0.767 116.220 115.700 -0.411 0.000 2.479 196 S HA 0.378 4.870 4.470 0.037 0.000 0.169 196 S C -1.122 173.461 174.600 -0.030 0.000 1.181 196 S CA -0.525 57.475 58.200 -0.334 0.000 1.169 196 S CB 0.467 63.544 63.200 -0.204 0.000 1.384 196 S HN 0.012 nan 8.310 nan 0.000 0.412 197 V N 3.452 123.491 119.914 0.210 0.000 2.417 197 V HA 0.608 4.750 4.120 0.037 0.000 0.291 197 V C 0.053 176.320 176.094 0.288 0.000 1.024 197 V CA -0.393 62.070 62.300 0.272 0.000 0.861 197 V CB 1.957 33.980 31.823 0.334 0.000 0.985 197 V HN 0.713 nan 8.190 nan 0.000 0.436 198 T N 6.460 121.138 114.554 0.207 0.000 2.791 198 T HA 0.565 4.937 4.350 0.037 0.000 0.288 198 T C -0.277 174.575 174.700 0.253 0.000 0.999 198 T CA -0.327 61.900 62.100 0.212 0.000 0.952 198 T CB 0.740 69.672 68.868 0.107 0.000 0.938 198 T HN 0.351 nan 8.240 nan 0.000 0.444 199 L N 4.934 126.283 121.223 0.211 0.000 2.349 199 L HA 0.682 5.044 4.340 0.037 0.000 0.275 199 L C -0.372 176.702 176.870 0.340 0.000 1.115 199 L CA -0.729 54.188 54.840 0.130 0.000 0.820 199 L CB 0.262 42.167 42.059 -0.257 0.000 1.135 199 L HN 0.637 nan 8.230 nan 0.000 0.445 200 F N 0.654 120.666 119.950 0.104 0.000 2.608 200 F HA 0.920 5.469 4.527 0.036 0.000 0.309 200 F C -0.439 175.366 175.800 0.008 0.000 1.103 200 F CA -1.134 56.978 58.000 0.187 0.000 0.954 200 F CB 1.532 40.775 39.000 0.405 0.000 1.267 200 F HN 0.483 nan 8.300 nan 0.000 0.444 201 G N 1.726 110.371 108.800 -0.259 0.000 2.646 201 G HA2 0.505 4.487 3.960 0.037 0.000 0.291 201 G HA3 0.505 4.487 3.960 0.037 0.000 0.291 201 G C -2.569 172.088 174.900 -0.405 0.000 1.445 201 G CA -0.783 43.765 45.100 -0.920 0.000 0.814 201 G HN 0.867 nan 8.290 nan 0.000 0.495 202 E N 0.265 120.190 120.200 -0.458 0.000 2.288 202 E HA 0.648 5.020 4.350 0.037 0.000 0.268 202 E C 0.664 177.221 176.600 -0.072 0.000 0.885 202 E CA 0.285 56.667 56.400 -0.030 0.000 0.767 202 E CB 2.239 32.083 29.700 0.239 0.000 1.220 202 E HN 0.931 nan 8.360 nan 0.000 0.427 203 S N 2.593 118.325 115.700 0.053 0.000 4.114 203 S HA -0.404 4.088 4.470 0.037 0.000 0.618 203 S C 1.537 176.245 174.600 0.180 0.000 1.937 203 S CA 2.485 60.797 58.200 0.186 0.000 4.228 203 S CB -1.632 61.616 63.200 0.080 0.000 0.216 203 S HN 1.041 nan 8.310 nan 0.000 0.528 204 A N 0.973 123.771 122.820 -0.037 0.000 1.948 204 A HA 0.031 4.373 4.320 0.037 0.000 0.220 204 A C 2.599 179.932 177.584 -0.418 0.000 1.177 204 A CA 2.808 54.604 52.037 -0.402 0.000 0.636 204 A CB -1.726 16.658 19.000 -1.027 0.000 0.815 204 A HN 1.752 nan 8.150 nan 0.000 0.449 205 G N -0.958 107.639 108.800 -0.339 0.000 2.448 205 G HA2 0.038 4.020 3.960 0.037 0.000 0.219 205 G HA3 0.038 4.020 3.960 0.037 0.000 0.219 205 G C 1.632 176.368 174.900 -0.274 0.000 1.127 205 G CA 1.338 46.195 45.100 -0.405 0.000 0.766 205 G HN 0.824 nan 8.290 nan 0.000 0.552 206 A N 1.012 123.753 122.820 -0.132 0.000 1.897 206 A HA 0.413 4.755 4.320 0.037 0.000 0.215 206 A C 2.762 180.346 177.584 0.002 0.000 1.181 206 A CA 1.890 53.911 52.037 -0.027 0.000 0.620 206 A CB -0.609 18.437 19.000 0.077 0.000 0.821 206 A HN 0.662 nan 8.150 nan 0.000 0.443 207 A N -0.475 122.371 122.820 0.043 0.000 1.969 207 A HA -0.004 4.338 4.320 0.037 0.000 0.218 207 A C 2.391 179.998 177.584 0.039 0.000 1.169 207 A CA 1.850 53.904 52.037 0.029 0.000 0.635 207 A CB -0.702 18.320 19.000 0.036 0.000 0.810 207 A HN 0.430 nan 8.150 nan 0.000 0.445 208 S N -0.213 115.515 115.700 0.047 0.000 2.356 208 S HA -0.143 4.349 4.470 0.037 0.000 0.223 208 S C 1.899 176.501 174.600 0.003 0.000 1.032 208 S CA 1.439 59.634 58.200 -0.010 0.000 1.005 208 S CB -0.552 62.590 63.200 -0.098 0.000 0.867 208 S HN 0.345 nan 8.310 nan 0.000 0.449 209 V N 1.869 121.778 119.914 -0.009 0.000 2.282 209 V HA -0.211 3.931 4.120 0.037 0.000 0.249 209 V C 2.638 178.748 176.094 0.027 0.000 1.057 209 V CA 2.045 64.342 62.300 -0.005 0.000 1.032 209 V CB -1.566 30.227 31.823 -0.050 0.000 0.645 209 V HN 0.606 nan 8.190 nan 0.000 0.447 210 G N -1.037 107.769 108.800 0.010 0.000 2.440 210 G HA2 -0.300 3.682 3.960 0.037 0.000 0.218 210 G HA3 -0.300 3.682 3.960 0.037 0.000 0.218 210 G C 1.626 176.552 174.900 0.043 0.000 1.154 210 G CA 1.193 46.301 45.100 0.013 0.000 0.767 210 G HN 0.446 nan 8.290 nan 0.000 0.552 211 M N -0.109 119.493 119.600 0.003 0.000 2.175 211 M HA 0.009 4.511 4.480 0.037 0.000 0.264 211 M C 2.288 178.650 176.300 0.103 0.000 1.063 211 M CA 0.949 56.267 55.300 0.029 0.000 1.119 211 M CB -0.231 32.327 32.600 -0.071 0.000 1.377 211 M HN 0.228 nan 8.290 nan 0.000 0.415 212 H N -0.377 118.804 119.070 0.186 0.000 2.456 212 H HA -0.043 4.535 4.556 0.037 0.000 0.296 212 H C 2.107 177.659 175.328 0.374 0.000 1.079 212 H CA 1.423 57.596 56.048 0.208 0.000 1.322 212 H CB -0.329 29.393 29.762 -0.068 0.000 1.388 212 H HN 0.434 nan 8.280 nan 0.000 0.538 213 I N 0.638 121.464 120.570 0.426 0.000 2.315 213 I HA -0.209 3.983 4.170 0.037 0.000 0.248 213 I C 1.632 177.949 176.117 0.333 0.000 1.117 213 I CA 1.004 62.574 61.300 0.451 0.000 1.404 213 I CB 0.011 38.176 38.000 0.275 0.000 1.071 213 I HN 0.102 nan 8.210 nan 0.000 0.419 214 L N -0.846 120.525 121.223 0.246 0.000 2.653 214 L HA 0.155 4.517 4.340 0.037 0.000 0.231 214 L C 0.713 177.652 176.870 0.115 0.000 1.153 214 L CA 0.036 54.999 54.840 0.205 0.000 0.933 214 L CB 0.082 42.241 42.059 0.166 0.000 1.175 214 L HN -0.013 nan 8.230 nan 0.000 0.473 215 S N -0.076 115.669 115.700 0.076 0.000 2.718 215 S HA 0.249 4.741 4.470 0.037 0.000 0.294 215 S C 0.656 175.196 174.600 -0.100 0.000 1.157 215 S CA -0.585 57.551 58.200 -0.107 0.000 1.121 215 S CB 1.147 64.086 63.200 -0.435 0.000 1.015 215 S HN 0.187 nan 8.310 nan 0.000 0.479 216 L N 6.867 128.038 121.223 -0.086 0.000 2.051 216 L HA 0.020 4.382 4.340 0.037 0.000 0.214 216 L C -1.090 175.735 176.870 -0.075 0.000 1.076 216 L CA 2.252 57.050 54.840 -0.069 0.000 0.758 216 L CB -0.850 41.168 42.059 -0.068 0.000 0.890 216 L HN 0.493 nan 8.230 nan 0.000 0.433 217 P HA -0.048 nan 4.420 nan 0.000 0.226 217 P C 1.558 178.846 177.300 -0.021 0.000 1.153 217 P CA 1.143 64.195 63.100 -0.080 0.000 0.777 217 P CB 0.084 31.715 31.700 -0.115 0.000 0.794 218 S N -0.859 114.855 115.700 0.023 0.000 2.446 218 S HA 0.011 4.503 4.470 0.037 0.000 0.225 218 S C 1.804 176.540 174.600 0.227 0.000 1.016 218 S CA 0.444 58.778 58.200 0.223 0.000 0.943 218 S CB -0.339 63.150 63.200 0.483 0.000 0.786 218 S HN 0.094 nan 8.310 nan 0.000 0.508 219 R N 2.037 122.557 120.500 0.034 0.000 2.152 219 R HA -0.013 4.349 4.340 0.037 0.000 0.232 219 R C 2.221 178.304 176.300 -0.361 0.000 1.117 219 R CA 1.349 57.294 56.100 -0.259 0.000 0.981 219 R CB -1.110 29.078 30.300 -0.187 0.000 0.870 219 R HN 0.575 nan 8.270 nan 0.000 0.451 220 S N -0.069 115.520 115.700 -0.185 0.000 2.603 220 S HA 0.083 4.575 4.470 0.037 0.000 0.220 220 S C 1.702 176.206 174.600 -0.159 0.000 0.967 220 S CA 0.200 58.290 58.200 -0.184 0.000 0.920 220 S CB -0.146 62.996 63.200 -0.096 0.000 0.773 220 S HN 0.221 nan 8.310 nan 0.000 0.529 221 L N 0.315 121.498 121.223 -0.067 0.000 2.640 221 L HA 0.490 4.853 4.340 0.037 0.000 0.230 221 L C -0.023 176.944 176.870 0.162 0.000 1.123 221 L CA -0.333 54.548 54.840 0.068 0.000 0.900 221 L CB -0.099 42.049 42.059 0.149 0.000 1.146 221 L HN 0.500 nan 8.230 nan 0.000 0.484 222 F N -4.032 115.797 119.950 -0.201 0.000 2.693 222 F HA 0.452 5.001 4.527 0.037 0.000 0.309 222 F C 0.099 175.717 175.800 -0.304 0.000 1.129 222 F CA -1.094 56.822 58.000 -0.141 0.000 0.948 222 F CB 0.819 39.815 39.000 -0.008 0.000 1.315 222 F HN -0.134 nan 8.300 nan 0.000 0.447 223 H N -0.514 118.589 119.070 0.054 0.000 3.058 223 H HA 0.544 5.122 4.556 0.037 0.000 0.258 223 H C -0.143 175.191 175.328 0.010 0.000 1.015 223 H CA -0.081 55.931 56.048 -0.061 0.000 1.210 223 H CB 0.642 30.380 29.762 -0.040 0.000 1.481 223 H HN 0.473 nan 8.280 nan 0.000 0.492 224 R N -0.280 120.404 120.500 0.306 0.000 2.716 224 R HA 0.757 5.119 4.340 0.037 0.000 0.271 224 R C -1.659 174.908 176.300 0.445 0.000 1.028 224 R CA -0.692 55.569 56.100 0.268 0.000 0.883 224 R CB 2.382 32.657 30.300 -0.042 0.000 1.250 224 R HN 0.153 nan 8.270 nan 0.000 0.465 225 A N 0.912 124.007 122.820 0.459 0.000 2.572 225 A HA 0.738 5.080 4.320 0.037 0.000 0.295 225 A C -1.605 176.174 177.584 0.325 0.000 1.072 225 A CA -0.595 51.662 52.037 0.367 0.000 0.691 225 A CB 2.040 21.217 19.000 0.295 0.000 1.291 225 A HN 0.271 nan 8.150 nan 0.000 0.404 226 V N 1.550 121.608 119.914 0.239 0.000 2.482 226 V HA 0.486 4.628 4.120 0.037 0.000 0.295 226 V C -1.314 174.893 176.094 0.188 0.000 1.026 226 V CA -0.249 62.138 62.300 0.146 0.000 0.856 226 V CB 1.196 33.132 31.823 0.190 0.000 1.001 226 V HN 0.672 nan 8.190 nan 0.000 0.424 227 L N 5.073 126.372 121.223 0.126 0.000 2.316 227 L HA 0.574 4.936 4.340 0.037 0.000 0.280 227 L C -0.013 176.967 176.870 0.183 0.000 1.006 227 L CA -0.017 54.893 54.840 0.117 0.000 0.836 227 L CB 1.537 43.621 42.059 0.042 0.000 1.221 227 L HN 0.617 nan 8.230 nan 0.000 0.418 228 Q N 1.936 121.891 119.800 0.258 0.000 2.348 228 Q HA 0.465 4.827 4.340 0.037 0.000 0.265 228 Q C 0.053 176.202 176.000 0.247 0.000 0.998 228 Q CA -0.552 55.468 55.803 0.361 0.000 0.831 228 Q CB 1.528 30.577 28.738 0.518 0.000 1.251 228 Q HN 0.635 nan 8.270 nan 0.000 0.456 229 S N 1.064 116.893 115.700 0.215 0.000 3.682 229 S HA -0.156 4.336 4.470 0.037 0.000 0.354 229 S C -0.035 174.775 174.600 0.349 0.000 1.034 229 S CA 0.588 58.947 58.200 0.266 0.000 1.084 229 S CB -1.108 62.252 63.200 0.266 0.000 0.903 229 S HN 0.998 nan 8.310 nan 0.000 0.470 230 G N -0.438 108.518 108.800 0.260 0.000 2.442 230 G HA2 0.609 4.591 3.960 0.037 0.000 0.296 230 G HA3 0.609 4.591 3.960 0.037 0.000 0.296 230 G C -0.949 174.030 174.900 0.131 0.000 1.564 230 G CA 0.216 45.514 45.100 0.329 0.000 0.828 230 G HN 0.994 nan 8.290 nan 0.000 0.571 231 T N -1.088 113.489 114.554 0.037 0.000 2.889 231 T HA 0.751 5.123 4.350 0.037 0.000 0.315 231 T C -2.364 172.203 174.700 -0.222 0.000 1.291 231 T CA -1.305 60.736 62.100 -0.098 0.000 1.028 231 T CB 3.066 71.860 68.868 -0.124 0.000 1.235 231 T HN 0.280 nan 8.240 nan 0.000 0.491 232 P HA -0.024 nan 4.420 nan 0.000 0.217 232 P C 0.455 177.604 177.300 -0.251 0.000 1.154 232 P CA 0.703 63.686 63.100 -0.194 0.000 0.841 232 P CB -0.207 31.432 31.700 -0.102 0.000 0.788 233 N N 1.019 119.595 118.700 -0.205 0.000 2.260 233 N HA 0.175 4.937 4.740 0.037 0.000 0.230 233 N C 0.864 176.185 175.510 -0.315 0.000 1.323 233 N CA 1.103 54.029 53.050 -0.207 0.000 0.897 233 N CB -0.504 37.898 38.487 -0.141 0.000 1.146 233 N HN 0.294 nan 8.380 nan 0.000 0.460 234 G N -1.146 107.484 108.800 -0.283 0.000 2.603 234 G HA2 -0.126 3.856 3.960 0.037 0.000 0.686 234 G HA3 -0.126 3.856 3.960 0.037 0.000 0.686 234 G C -2.132 172.528 174.900 -0.401 0.000 1.286 234 G CA -0.219 44.667 45.100 -0.356 0.000 0.871 234 G HN 0.542 nan 8.290 nan 0.000 0.568 235 P HA 0.077 nan 4.420 nan 0.000 0.229 235 P C 1.407 178.629 177.300 -0.130 0.000 1.160 235 P CA 2.164 65.119 63.100 -0.241 0.000 0.777 235 P CB -0.046 31.459 31.700 -0.324 0.000 0.814 236 W N -1.950 119.241 121.300 -0.183 0.000 2.773 236 W HA 0.579 5.261 4.660 0.036 0.000 0.297 236 W C 0.993 177.572 176.519 0.100 0.000 1.050 236 W CA 0.429 57.736 57.345 -0.064 0.000 1.467 236 W CB -0.637 28.780 29.460 -0.071 0.000 0.977 236 W HN -0.175 nan 8.180 nan 0.000 0.573 237 A N 1.944 124.393 122.820 -0.618 0.000 2.123 237 A HA 0.163 4.505 4.320 0.037 0.000 0.214 237 A C 1.166 178.577 177.584 -0.289 0.000 1.152 237 A CA 1.767 53.492 52.037 -0.520 0.000 0.728 237 A CB -0.699 17.749 19.000 -0.919 0.000 0.814 237 A HN 0.226 nan 8.150 nan 0.000 0.464 238 T N -3.291 111.118 114.554 -0.243 0.000 2.887 238 T HA 0.655 5.027 4.350 0.037 0.000 0.292 238 T C -0.533 174.092 174.700 -0.124 0.000 1.087 238 T CA -0.092 61.889 62.100 -0.198 0.000 1.009 238 T CB 1.427 70.188 68.868 -0.179 0.000 1.203 238 T HN 0.857 nan 8.240 nan 0.000 0.518 239 V N -1.512 118.340 119.914 -0.103 0.000 3.160 239 V HA 0.911 5.053 4.120 0.037 0.000 0.310 239 V C 0.203 176.262 176.094 -0.058 0.000 1.181 239 V CA -0.852 61.405 62.300 -0.071 0.000 1.047 239 V CB 1.252 33.037 31.823 -0.062 0.000 1.068 239 V HN 1.382 nan 8.190 nan 0.000 0.441 240 S N 0.918 116.591 115.700 -0.046 0.000 2.632 240 S HA 0.670 5.162 4.470 0.037 0.000 0.267 240 S C 1.338 175.923 174.600 -0.024 0.000 1.276 240 S CA 0.073 58.253 58.200 -0.034 0.000 0.998 240 S CB 1.312 64.492 63.200 -0.032 0.000 0.953 240 S HN 1.939 nan 8.310 nan 0.000 0.547 241 A N 1.728 124.539 122.820 -0.016 0.000 1.908 241 A HA 0.110 4.452 4.320 0.037 0.000 0.218 241 A C 2.193 179.772 177.584 -0.009 0.000 1.181 241 A CA 1.786 53.819 52.037 -0.007 0.000 0.627 241 A CB -1.851 17.147 19.000 -0.002 0.000 0.818 241 A HN 1.173 nan 8.150 nan 0.000 0.445 242 G N -0.594 108.197 108.800 -0.015 0.000 2.422 242 G HA2 -0.221 3.761 3.960 0.037 0.000 0.218 242 G HA3 -0.221 3.761 3.960 0.037 0.000 0.218 242 G C 1.471 176.357 174.900 -0.022 0.000 1.146 242 G CA 1.371 46.460 45.100 -0.017 0.000 0.769 242 G HN 0.567 nan 8.290 nan 0.000 0.547 243 E N 1.013 121.196 120.200 -0.028 0.000 2.107 243 E HA 0.121 4.493 4.350 0.037 0.000 0.191 243 E C 2.635 179.210 176.600 -0.041 0.000 0.982 243 E CA 1.307 57.683 56.400 -0.040 0.000 0.809 243 E CB -0.527 29.144 29.700 -0.048 0.000 0.756 243 E HN 0.258 nan 8.360 nan 0.000 0.459 244 A N 0.833 123.639 122.820 -0.022 0.000 1.898 244 A HA -0.146 4.196 4.320 0.037 0.000 0.216 244 A C 2.297 179.896 177.584 0.025 0.000 1.181 244 A CA 1.646 53.688 52.037 0.008 0.000 0.620 244 A CB -0.609 18.413 19.000 0.036 0.000 0.819 244 A HN 0.259 nan 8.150 nan 0.000 0.442 245 R N -0.747 119.758 120.500 0.008 0.000 2.103 245 R HA -0.173 4.189 4.340 0.037 0.000 0.242 245 R C 2.487 178.787 176.300 0.000 0.000 1.142 245 R CA 1.685 57.786 56.100 0.002 0.000 0.960 245 R CB -0.270 30.026 30.300 -0.006 0.000 0.858 245 R HN 0.421 nan 8.270 nan 0.000 0.439 246 R N 0.562 121.055 120.500 -0.011 0.000 2.081 246 R HA -0.110 4.252 4.340 0.037 0.000 0.235 246 R C 2.142 178.434 176.300 -0.014 0.000 1.131 246 R CA 1.779 57.867 56.100 -0.019 0.000 0.960 246 R CB -0.091 30.189 30.300 -0.033 0.000 0.856 246 R HN 0.317 nan 8.270 nan 0.000 0.436 247 R N -0.480 120.008 120.500 -0.019 0.000 2.093 247 R HA 0.047 4.409 4.340 0.037 0.000 0.224 247 R C 2.339 178.720 176.300 0.134 0.000 1.101 247 R CA 0.991 57.079 56.100 -0.019 0.000 0.979 247 R CB -0.285 29.891 30.300 -0.206 0.000 0.877 247 R HN 0.162 nan 8.270 nan 0.000 0.441 248 A N 0.913 123.831 122.820 0.164 0.000 1.865 248 A HA -0.171 4.171 4.320 0.037 0.000 0.217 248 A C 2.162 179.771 177.584 0.042 0.000 1.191 248 A CA 2.059 54.175 52.037 0.131 0.000 0.623 248 A CB -0.992 18.029 19.000 0.035 0.000 0.826 248 A HN 0.262 nan 8.150 nan 0.000 0.444 249 T N -0.017 114.548 114.554 0.018 0.000 2.788 249 T HA -0.134 4.238 4.350 0.037 0.000 0.268 249 T C 1.813 176.515 174.700 0.004 0.000 1.044 249 T CA 1.533 63.632 62.100 -0.003 0.000 1.139 249 T CB -0.324 68.538 68.868 -0.009 0.000 0.867 249 T HN 0.306 nan 8.240 nan 0.000 0.454 250 L N 0.863 122.097 121.223 0.017 0.000 2.072 250 L HA 0.203 4.565 4.340 0.037 0.000 0.205 250 L C 2.148 179.035 176.870 0.028 0.000 1.079 250 L CA 1.319 56.166 54.840 0.010 0.000 0.752 250 L CB -0.908 41.152 42.059 0.001 0.000 0.906 250 L HN 0.166 nan 8.230 nan 0.000 0.436 251 L N -0.098 121.176 121.223 0.084 0.000 2.079 251 L HA -0.128 4.234 4.340 0.037 0.000 0.210 251 L C 2.478 179.367 176.870 0.031 0.000 1.081 251 L CA 2.000 56.903 54.840 0.106 0.000 0.752 251 L CB -0.797 41.384 42.059 0.204 0.000 0.896 251 L HN 0.299 nan 8.230 nan 0.000 0.433 252 A N -0.668 122.156 122.820 0.007 0.000 1.902 252 A HA -0.230 4.112 4.320 0.037 0.000 0.217 252 A C 2.511 180.084 177.584 -0.018 0.000 1.181 252 A CA 1.721 53.751 52.037 -0.013 0.000 0.623 252 A CB -0.627 18.357 19.000 -0.026 0.000 0.818 252 A HN 0.465 nan 8.150 nan 0.000 0.443 253 R N -0.616 119.870 120.500 -0.023 0.000 2.081 253 R HA -0.049 4.313 4.340 0.037 0.000 0.235 253 R C 1.905 178.166 176.300 -0.066 0.000 1.131 253 R CA 1.414 57.493 56.100 -0.035 0.000 0.960 253 R CB -0.380 29.901 30.300 -0.032 0.000 0.856 253 R HN 0.548 nan 8.270 nan 0.000 0.436 254 L N 0.489 121.653 121.223 -0.098 0.000 2.275 254 L HA -0.085 4.277 4.340 0.037 0.000 0.215 254 L C 1.630 178.328 176.870 -0.286 0.000 1.119 254 L CA 0.582 55.276 54.840 -0.243 0.000 0.790 254 L CB 0.146 42.017 42.059 -0.313 0.000 0.919 254 L HN 0.150 nan 8.230 nan 0.000 0.443 255 V N -4.244 115.608 119.914 -0.103 0.000 3.177 255 V HA 0.555 4.698 4.120 0.037 0.000 0.342 255 V C 1.188 177.288 176.094 0.010 0.000 1.379 255 V CA 0.228 62.525 62.300 -0.005 0.000 1.191 255 V CB -0.178 31.690 31.823 0.075 0.000 1.167 255 V HN 0.396 nan 8.190 nan 0.000 0.471 256 G N -0.303 108.490 108.800 -0.012 0.000 2.199 256 G HA2 -0.273 3.709 3.960 0.037 0.000 0.254 256 G HA3 -0.273 3.709 3.960 0.037 0.000 0.254 256 G C 0.298 175.201 174.900 0.004 0.000 0.982 256 G CA 0.025 45.126 45.100 0.002 0.000 0.632 256 G HN 0.687 nan 8.290 nan 0.000 0.529 257 c N 3.478 122.081 118.600 0.004 0.000 2.499 257 c HA 0.602 5.194 4.570 0.037 0.000 0.386 257 c C -0.594 173.494 174.090 -0.003 0.000 1.293 257 c CA -0.827 55.505 56.329 0.005 0.000 1.884 257 c CB 0.784 43.300 42.510 0.009 0.000 2.509 257 c HN 0.518 nan 8.230 nan 0.000 0.566 263 G N -0.940 107.855 108.800 -0.008 0.000 2.507 263 G HA2 0.645 4.627 3.960 0.037 0.000 0.271 263 G HA3 0.645 4.627 3.960 0.037 0.000 0.271 263 G C 0.775 175.671 174.900 -0.007 0.000 1.189 263 G CA 0.451 45.546 45.100 -0.007 0.000 0.859 263 G HN 2.483 nan 8.290 nan 0.000 0.542 264 G N 0.608 109.404 108.800 -0.006 0.000 3.445 264 G HA2 0.060 4.042 3.960 0.037 0.000 0.634 264 G HA3 0.060 4.042 3.960 0.037 0.000 0.634 264 G C 0.047 174.944 174.900 -0.005 0.000 0.909 264 G CA 0.140 45.238 45.100 -0.004 0.000 0.740 264 G HN 1.770 nan 8.290 nan 0.000 0.441 265 N N 1.070 119.768 118.700 -0.004 0.000 2.621 265 N HA -0.148 4.614 4.740 0.037 0.000 0.291 265 N C 1.019 176.526 175.510 -0.005 0.000 1.580 265 N CA 1.247 54.295 53.050 -0.003 0.000 1.058 265 N CB 0.020 38.507 38.487 0.001 0.000 0.975 265 N HN 0.622 nan 8.380 nan 0.000 0.477 266 D N 2.125 122.520 120.400 -0.007 0.000 2.092 266 D HA -0.115 4.547 4.640 0.037 0.000 0.193 266 D C 1.509 177.804 176.300 -0.009 0.000 0.994 266 D CA 2.383 56.375 54.000 -0.013 0.000 0.828 266 D CB -0.212 40.581 40.800 -0.012 0.000 0.963 266 D HN 0.715 nan 8.370 nan 0.000 0.450 267 T N 0.521 115.076 114.554 0.002 0.000 2.699 267 T HA -0.205 4.167 4.350 0.037 0.000 0.268 267 T C 1.828 176.537 174.700 0.015 0.000 1.036 267 T CA 1.516 63.623 62.100 0.012 0.000 1.147 267 T CB -0.220 68.657 68.868 0.014 0.000 0.862 267 T HN 0.285 nan 8.240 nan 0.000 0.446 268 E N 0.210 120.416 120.200 0.009 0.000 2.072 268 E HA -0.012 4.360 4.350 0.037 0.000 0.190 268 E C 2.175 178.781 176.600 0.010 0.000 0.982 268 E CA 0.500 56.907 56.400 0.011 0.000 0.803 268 E CB -0.151 29.554 29.700 0.007 0.000 0.755 268 E HN 0.391 nan 8.360 nan 0.000 0.453 269 L N 0.674 121.896 121.223 -0.002 0.000 2.017 269 L HA -0.189 4.173 4.340 0.037 0.000 0.208 269 L C 2.183 179.046 176.870 -0.011 0.000 1.073 269 L CA 1.311 56.144 54.840 -0.012 0.000 0.745 269 L CB -0.144 41.897 42.059 -0.029 0.000 0.894 269 L HN 0.166 nan 8.230 nan 0.000 0.432 270 I N -0.088 120.473 120.570 -0.016 0.000 2.179 270 I HA -0.294 3.898 4.170 0.037 0.000 0.242 270 I C 2.760 178.938 176.117 0.102 0.000 1.088 270 I CA 1.177 62.484 61.300 0.013 0.000 1.357 270 I CB -0.714 37.294 38.000 0.014 0.000 1.051 270 I HN 0.338 nan 8.210 nan 0.000 0.409 271 A N -0.215 122.647 122.820 0.071 0.000 1.927 271 A HA -0.350 3.992 4.320 0.037 0.000 0.220 271 A C 2.540 180.167 177.584 0.072 0.000 1.185 271 A CA 2.337 54.416 52.037 0.070 0.000 0.639 271 A CB -1.468 17.559 19.000 0.045 0.000 0.820 271 A HN 0.657 nan 8.150 nan 0.000 0.451 272 c N -0.850 117.785 118.600 0.059 0.000 2.476 272 c HA 0.088 4.680 4.570 0.037 0.000 0.278 272 c C 2.600 176.738 174.090 0.079 0.000 1.274 272 c CA 0.892 57.254 56.329 0.054 0.000 1.713 272 c CB -1.564 40.966 42.510 0.034 0.000 2.039 272 c HN 0.593 nan 8.230 nan 0.000 0.484 273 L N 0.642 121.927 121.223 0.104 0.000 2.013 273 L HA -0.189 4.173 4.340 0.037 0.000 0.212 273 L C 2.984 179.988 176.870 0.224 0.000 1.073 273 L CA 1.884 56.829 54.840 0.174 0.000 0.753 273 L CB -0.710 41.458 42.059 0.183 0.000 0.890 273 L HN 0.368 nan 8.230 nan 0.000 0.432 274 R N -0.522 120.117 120.500 0.231 0.000 2.200 274 R HA -0.137 4.225 4.340 0.037 0.000 0.234 274 R C 2.102 178.431 176.300 0.049 0.000 1.127 274 R CA 1.718 57.879 56.100 0.102 0.000 0.989 274 R CB -0.521 29.831 30.300 0.086 0.000 0.869 274 R HN 0.541 nan 8.270 nan 0.000 0.459 275 T N -1.522 113.068 114.554 0.059 0.000 3.148 275 T HA 0.087 4.459 4.350 0.037 0.000 0.253 275 T C 0.776 175.498 174.700 0.037 0.000 1.134 275 T CA 0.036 62.159 62.100 0.038 0.000 1.051 275 T CB 0.141 69.031 68.868 0.037 0.000 0.959 275 T HN -0.110 nan 8.240 nan 0.000 0.525 276 R N 2.540 123.071 120.500 0.051 0.000 2.312 276 R HA 0.403 4.765 4.340 0.037 0.000 0.311 276 R C -2.771 173.551 176.300 0.036 0.000 1.004 276 R CA -2.730 53.401 56.100 0.051 0.000 0.902 276 R CB 0.401 30.744 30.300 0.071 0.000 1.073 276 R HN 0.222 nan 8.270 nan 0.000 0.457 277 P HA -0.088 nan 4.420 nan 0.000 0.263 277 P C 0.518 177.807 177.300 -0.018 0.000 1.175 277 P CA 0.331 63.423 63.100 -0.013 0.000 0.761 277 P CB 0.462 32.162 31.700 -0.000 0.000 0.794 278 A N 3.706 126.455 122.820 -0.119 0.000 1.915 278 A HA -0.313 4.029 4.320 0.037 0.000 0.220 278 A C 2.192 179.746 177.584 -0.051 0.000 1.198 278 A CA 2.284 54.237 52.037 -0.140 0.000 0.647 278 A CB -1.269 17.151 19.000 -0.967 0.000 0.825 278 A HN 0.521 nan 8.150 nan 0.000 0.456 279 Q N -0.150 119.586 119.800 -0.106 0.000 2.226 279 Q HA -0.161 4.201 4.340 0.037 0.000 0.204 279 Q C 1.266 177.353 176.000 0.145 0.000 0.975 279 Q CA 2.006 57.901 55.803 0.152 0.000 0.866 279 Q CB -0.448 28.400 28.738 0.183 0.000 0.915 279 Q HN 0.681 nan 8.270 nan 0.000 0.440 280 D N -0.882 119.578 120.400 0.101 0.000 2.117 280 D HA -0.131 4.531 4.640 0.037 0.000 0.197 280 D C 1.526 177.910 176.300 0.140 0.000 0.987 280 D CA 0.725 54.796 54.000 0.118 0.000 0.829 280 D CB -0.086 40.782 40.800 0.113 0.000 0.961 280 D HN 0.207 nan 8.370 nan 0.000 0.460 281 L N 0.292 121.578 121.223 0.106 0.000 2.046 281 L HA -0.123 4.239 4.340 0.037 0.000 0.208 281 L C 2.473 179.393 176.870 0.084 0.000 1.077 281 L CA 0.993 55.855 54.840 0.037 0.000 0.747 281 L CB -0.876 41.077 42.059 -0.177 0.000 0.896 281 L HN -0.026 nan 8.230 nan 0.000 0.432 282 V N -0.642 119.384 119.914 0.188 0.000 2.358 282 V HA -0.265 3.877 4.120 0.037 0.000 0.246 282 V C 2.197 178.385 176.094 0.156 0.000 1.047 282 V CA 1.527 63.986 62.300 0.266 0.000 1.035 282 V CB -0.577 31.529 31.823 0.471 0.000 0.658 282 V HN 0.356 nan 8.190 nan 0.000 0.452 283 D N -0.529 119.924 120.400 0.088 0.000 2.170 283 D HA -0.195 4.467 4.640 0.037 0.000 0.193 283 D C 1.852 177.946 176.300 -0.342 0.000 1.004 283 D CA 1.596 55.531 54.000 -0.108 0.000 0.860 283 D CB -0.197 40.488 40.800 -0.191 0.000 0.931 283 D HN 0.535 nan 8.370 nan 0.000 0.448 284 H N -0.765 118.317 119.070 0.021 0.000 2.672 284 H HA 0.161 4.739 4.556 0.037 0.000 0.277 284 H C 1.512 176.833 175.328 -0.011 0.000 1.074 284 H CA -0.081 55.942 56.048 -0.041 0.000 1.173 284 H CB 0.551 30.377 29.762 0.107 0.000 1.558 284 H HN 0.312 nan 8.280 nan 0.000 0.539 285 E N 0.653 120.931 120.200 0.130 0.000 2.070 285 E HA -0.223 4.149 4.350 0.037 0.000 0.197 285 E C 1.534 178.251 176.600 0.194 0.000 1.004 285 E CA 1.152 57.707 56.400 0.259 0.000 0.805 285 E CB -0.017 29.818 29.700 0.226 0.000 0.744 285 E HN 0.404 nan 8.360 nan 0.000 0.451 286 W N 0.723 121.904 121.300 -0.199 0.000 2.800 286 W HA -0.035 4.646 4.660 0.036 0.000 0.249 286 W C 0.920 177.423 176.519 -0.025 0.000 1.294 286 W CA 1.006 58.231 57.345 -0.200 0.000 1.402 286 W CB -0.137 29.132 29.460 -0.317 0.000 1.126 286 W HN 0.192 nan 8.180 nan 0.000 0.652 287 H N -0.810 118.261 119.070 0.002 0.000 2.524 287 H HA 0.065 4.643 4.556 0.036 0.000 0.280 287 H C 1.743 176.990 175.328 -0.136 0.000 1.018 287 H CA 0.581 56.544 56.048 -0.142 0.000 1.165 287 H CB 0.216 29.994 29.762 0.027 0.000 1.411 287 H HN 0.117 nan 8.280 nan 0.000 0.569 288 V N -1.907 117.990 119.914 -0.027 0.000 3.578 288 V HA 0.210 4.352 4.120 0.037 0.000 0.290 288 V C 0.437 176.441 176.094 -0.151 0.000 1.376 288 V CA -0.216 62.037 62.300 -0.078 0.000 1.083 288 V CB -0.325 31.450 31.823 -0.079 0.000 0.911 288 V HN 0.132 nan 8.190 nan 0.000 0.433 289 L N 2.531 123.644 121.223 -0.184 0.000 2.416 289 L HA 0.269 4.631 4.340 0.037 0.000 0.272 289 L C -0.277 176.503 176.870 -0.149 0.000 1.161 289 L CA -1.087 53.649 54.840 -0.173 0.000 0.845 289 L CB 0.834 42.785 42.059 -0.181 0.000 1.119 289 L HN 0.133 nan 8.230 nan 0.000 0.464 290 P HA -0.115 nan 4.420 nan 0.000 0.217 290 P C -0.088 177.158 177.300 -0.090 0.000 1.150 290 P CA 1.228 64.272 63.100 -0.093 0.000 0.832 290 P CB 0.393 32.049 31.700 -0.074 0.000 0.787 291 Q N -1.296 118.450 119.800 -0.090 0.000 2.528 291 Q HA 0.340 4.702 4.340 0.037 0.000 0.289 291 Q C -0.455 175.494 176.000 -0.085 0.000 1.091 291 Q CA -0.791 54.967 55.803 -0.074 0.000 0.797 291 Q CB 1.390 30.100 28.738 -0.047 0.000 1.466 291 Q HN -0.043 nan 8.270 nan 0.000 0.436 292 E N 0.745 120.908 120.200 -0.062 0.000 2.452 292 E HA 0.254 4.626 4.350 0.037 0.000 0.261 292 E C -0.909 175.689 176.600 -0.003 0.000 0.987 292 E CA 0.300 56.683 56.400 -0.028 0.000 0.926 292 E CB 0.391 30.092 29.700 0.001 0.000 0.934 292 E HN 0.603 nan 8.360 nan 0.000 0.452 293 S N 2.799 118.517 115.700 0.029 0.000 2.615 293 S HA 0.608 5.100 4.470 0.037 0.000 0.268 293 S C -0.720 173.910 174.600 0.051 0.000 1.146 293 S CA -1.041 57.172 58.200 0.023 0.000 0.818 293 S CB 0.626 63.816 63.200 -0.016 0.000 1.111 293 S HN 0.507 nan 8.310 nan 0.000 0.465 294 I N -2.925 117.655 120.570 0.018 0.000 2.934 294 I HA 0.810 5.002 4.170 0.037 0.000 0.306 294 I C -0.274 175.792 176.117 -0.085 0.000 1.110 294 I CA -1.214 60.095 61.300 0.014 0.000 1.019 294 I CB 1.337 39.388 38.000 0.085 0.000 1.227 294 I HN 0.786 nan 8.210 nan 0.000 0.434 295 F N 1.792 121.494 119.950 -0.413 0.000 3.091 295 F HA -0.186 4.362 4.527 0.036 0.000 0.288 295 F C -0.312 174.915 175.800 -0.956 0.000 0.907 295 F CA 0.622 58.087 58.000 -0.891 0.000 1.028 295 F CB -0.642 37.726 39.000 -1.052 0.000 1.022 295 F HN 0.589 nan 8.300 nan 0.000 0.665 296 R N 0.312 120.402 120.500 -0.684 0.000 2.686 296 R HA 0.699 5.061 4.340 0.037 0.000 0.286 296 R C -1.102 174.841 176.300 -0.595 0.000 0.969 296 R CA -0.620 55.150 56.100 -0.549 0.000 0.898 296 R CB 1.433 31.620 30.300 -0.190 0.000 1.183 296 R HN -0.011 nan 8.270 nan 0.000 0.456 297 F N -0.684 119.343 119.950 0.128 0.000 2.561 297 F HA 0.306 4.855 4.527 0.036 0.000 0.313 297 F C 1.381 177.202 175.800 0.035 0.000 1.126 297 F CA -0.809 57.257 58.000 0.109 0.000 0.918 297 F CB 2.023 41.186 39.000 0.272 0.000 1.199 297 F HN 0.376 nan 8.300 nan 0.000 0.444 298 S N 1.256 117.035 115.700 0.132 0.000 2.356 298 S HA -0.059 4.433 4.470 0.037 0.000 0.223 298 S C -0.016 174.265 174.600 -0.531 0.000 1.032 298 S CA 1.332 59.394 58.200 -0.229 0.000 1.005 298 S CB -0.217 62.849 63.200 -0.223 0.000 0.867 298 S HN 0.358 nan 8.310 nan 0.000 0.449 299 F N 0.978 121.054 119.950 0.211 0.000 2.496 299 F HA 0.584 5.133 4.527 0.037 0.000 0.341 299 F C -0.119 175.762 175.800 0.134 0.000 1.134 299 F CA -0.982 57.134 58.000 0.194 0.000 0.968 299 F CB 1.653 40.803 39.000 0.249 0.000 1.205 299 F HN -0.096 nan 8.300 nan 0.000 0.436 300 V N 0.838 120.777 119.914 0.042 0.000 3.182 300 V HA 0.771 4.913 4.120 0.037 0.000 0.308 300 V C -3.006 172.767 176.094 -0.534 0.000 1.240 300 V CA -3.196 58.819 62.300 -0.475 0.000 1.063 300 V CB 2.151 33.882 31.823 -0.153 0.000 1.076 300 V HN 0.285 nan 8.190 nan 0.000 0.446 301 P HA 0.222 nan 4.420 nan 0.000 0.267 301 P C -0.720 176.453 177.300 -0.212 0.000 1.200 301 P CA 0.323 63.157 63.100 -0.443 0.000 0.772 301 P CB 0.762 32.107 31.700 -0.591 0.000 0.855 302 V N 4.520 124.384 119.914 -0.082 0.000 2.547 302 V HA 0.219 4.361 4.120 0.037 0.000 0.299 302 V C -0.284 175.787 176.094 -0.039 0.000 1.040 302 V CA -0.842 61.431 62.300 -0.045 0.000 0.913 302 V CB 1.968 33.796 31.823 0.009 0.000 0.992 302 V HN 0.134 nan 8.190 nan 0.000 0.449 303 V N 7.310 127.204 119.914 -0.034 0.000 2.341 303 V HA 0.155 4.297 4.120 0.037 0.000 0.248 303 V C 0.880 176.978 176.094 0.008 0.000 1.107 303 V CA 0.293 62.586 62.300 -0.013 0.000 1.069 303 V CB 0.079 31.889 31.823 -0.022 0.000 1.177 303 V HN 1.061 nan 8.190 nan 0.000 0.492 304 D N 2.791 123.210 120.400 0.031 0.000 2.348 304 D HA 0.072 4.734 4.640 0.037 0.000 0.211 304 D C 1.612 177.937 176.300 0.041 0.000 0.998 304 D CA 0.763 54.787 54.000 0.040 0.000 0.873 304 D CB 0.220 41.056 40.800 0.060 0.000 0.925 304 D HN 0.667 nan 8.370 nan 0.000 0.524 305 G N 0.774 109.600 108.800 0.043 0.000 2.166 305 G HA2 -0.339 3.643 3.960 0.037 0.000 0.260 305 G HA3 -0.339 3.643 3.960 0.037 0.000 0.260 305 G C 0.445 175.371 174.900 0.044 0.000 0.986 305 G CA 0.862 45.983 45.100 0.035 0.000 0.683 305 G HN 0.549 nan 8.290 nan 0.000 0.527 306 D N -1.396 119.047 120.400 0.072 0.000 3.013 306 D HA 0.220 4.882 4.640 0.037 0.000 0.235 306 D C 1.821 178.185 176.300 0.106 0.000 1.540 306 D CA 0.354 54.401 54.000 0.079 0.000 1.303 306 D CB -0.563 40.292 40.800 0.091 0.000 0.980 306 D HN 0.085 nan 8.370 nan 0.000 0.250 307 F N 1.200 121.157 119.950 0.011 0.000 2.091 307 F HA 0.109 4.658 4.527 0.037 0.000 0.299 307 F C 0.691 176.490 175.800 -0.002 0.000 1.103 307 F CA 1.221 59.226 58.000 0.009 0.000 1.228 307 F CB 0.068 39.070 39.000 0.004 0.000 0.984 307 F HN -0.007 nan 8.300 nan 0.000 0.477 308 L N 1.002 122.411 121.223 0.310 0.000 2.283 308 L HA 0.174 4.536 4.340 0.037 0.000 0.281 308 L C 1.488 178.410 176.870 0.086 0.000 1.033 308 L CA -0.113 54.834 54.840 0.178 0.000 0.848 308 L CB 1.108 43.242 42.059 0.126 0.000 1.226 308 L HN 0.119 nan 8.230 nan 0.000 0.429 309 S N 0.654 116.385 115.700 0.053 0.000 2.419 309 S HA -0.076 4.416 4.470 0.037 0.000 0.233 309 S C 0.552 175.164 174.600 0.021 0.000 1.016 309 S CA 0.792 59.008 58.200 0.027 0.000 0.974 309 S CB 0.161 63.366 63.200 0.008 0.000 0.786 309 S HN 0.697 nan 8.310 nan 0.000 0.492 310 D N -0.069 120.345 120.400 0.023 0.000 2.812 310 D HA 0.331 4.993 4.640 0.037 0.000 0.318 310 D C -0.811 175.494 176.300 0.008 0.000 1.234 310 D CA 0.085 54.091 54.000 0.011 0.000 0.989 310 D CB 1.444 42.249 40.800 0.008 0.000 1.442 310 D HN 0.255 nan 8.370 nan 0.000 0.537 311 T N -0.925 113.626 114.554 -0.005 0.000 2.926 311 T HA 0.235 4.607 4.350 0.037 0.000 0.307 311 T C -1.819 172.874 174.700 -0.013 0.000 1.059 311 T CA -0.752 61.337 62.100 -0.020 0.000 1.122 311 T CB 1.083 69.933 68.868 -0.031 0.000 0.972 311 T HN 0.081 nan 8.240 nan 0.000 0.545 312 P HA -0.140 nan 4.420 nan 0.000 0.216 312 P C 1.403 178.697 177.300 -0.011 0.000 1.154 312 P CA 1.200 64.286 63.100 -0.023 0.000 0.865 312 P CB 0.061 31.716 31.700 -0.075 0.000 0.789 313 E N -0.429 119.753 120.200 -0.030 0.000 2.033 313 E HA -0.206 4.166 4.350 0.037 0.000 0.199 313 E C 2.176 178.782 176.600 0.010 0.000 1.011 313 E CA 1.872 58.261 56.400 -0.017 0.000 0.815 313 E CB -1.287 28.395 29.700 -0.029 0.000 0.755 313 E HN 0.140 nan 8.360 nan 0.000 0.451 314 A N 0.259 123.083 122.820 0.007 0.000 1.978 314 A HA -0.167 4.175 4.320 0.037 0.000 0.220 314 A C 2.208 179.814 177.584 0.037 0.000 1.170 314 A CA 1.256 53.303 52.037 0.016 0.000 0.636 314 A CB -0.586 18.418 19.000 0.006 0.000 0.810 314 A HN 0.205 nan 8.150 nan 0.000 0.448 315 L N -0.245 121.011 121.223 0.054 0.000 2.095 315 L HA -0.085 4.277 4.340 0.037 0.000 0.204 315 L C 2.593 179.579 176.870 0.193 0.000 1.080 315 L CA 1.393 56.289 54.840 0.094 0.000 0.759 315 L CB -0.508 41.610 42.059 0.099 0.000 0.914 315 L HN 0.655 nan 8.230 nan 0.000 0.439 316 I N -2.924 117.761 120.570 0.191 0.000 2.439 316 I HA -0.150 4.042 4.170 0.037 0.000 0.251 316 I C 1.926 178.187 176.117 0.241 0.000 1.139 316 I CA 1.250 62.709 61.300 0.266 0.000 1.438 316 I CB -0.484 37.556 38.000 0.068 0.000 1.085 316 I HN 0.193 nan 8.210 nan 0.000 0.427 317 N N 1.537 120.313 118.700 0.128 0.000 2.244 317 N HA -0.105 4.657 4.740 0.037 0.000 0.183 317 N C 1.718 177.276 175.510 0.081 0.000 1.016 317 N CA 2.170 55.274 53.050 0.090 0.000 0.866 317 N CB -0.255 38.261 38.487 0.049 0.000 0.980 317 N HN 0.689 nan 8.380 nan 0.000 0.430 318 T N -4.006 110.584 114.554 0.060 0.000 3.043 318 T HA 0.359 4.731 4.350 0.037 0.000 0.272 318 T C 0.835 175.488 174.700 -0.078 0.000 0.990 318 T CA -0.459 61.642 62.100 0.000 0.000 0.897 318 T CB 0.145 69.006 68.868 -0.011 0.000 1.111 318 T HN 0.046 nan 8.240 nan 0.000 0.529 319 G N 0.671 109.399 108.800 -0.121 0.000 2.569 319 G HA2 0.425 4.407 3.960 0.037 0.000 0.249 319 G HA3 0.425 4.407 3.960 0.037 0.000 0.249 319 G C -1.084 173.367 174.900 -0.748 0.000 1.216 319 G CA -0.371 44.395 45.100 -0.557 0.000 0.845 319 G HN 0.267 nan 8.290 nan 0.000 0.568 320 D N 0.321 120.251 120.400 -0.783 0.000 2.392 320 D HA 0.344 5.006 4.640 0.037 0.000 0.228 320 D C -0.582 175.339 176.300 -0.631 0.000 1.074 320 D CA -0.641 53.048 54.000 -0.518 0.000 0.838 320 D CB 0.754 41.398 40.800 -0.261 0.000 1.067 320 D HN 0.106 nan 8.370 nan 0.000 0.511 321 F N 2.480 122.433 119.950 0.005 0.000 2.908 321 F HA 0.218 4.767 4.527 0.037 0.000 0.328 321 F C 1.861 177.666 175.800 0.009 0.000 1.211 321 F CA -0.499 57.506 58.000 0.009 0.000 1.291 321 F CB 0.350 39.365 39.000 0.025 0.000 0.962 321 F HN 0.309 nan 8.300 nan 0.000 0.505 322 Q N 0.781 120.634 119.800 0.088 0.000 2.045 322 Q HA -0.160 4.202 4.340 0.037 0.000 0.206 322 Q C 0.352 176.390 176.000 0.064 0.000 0.991 322 Q CA 1.802 57.641 55.803 0.061 0.000 0.851 322 Q CB 0.068 28.815 28.738 0.015 0.000 0.911 322 Q HN 0.157 nan 8.270 nan 0.000 0.418 323 D N 0.017 120.446 120.400 0.048 0.000 2.973 323 D HA 0.241 4.903 4.640 0.037 0.000 0.263 323 D C -1.209 175.122 176.300 0.051 0.000 1.266 323 D CA -0.030 53.993 54.000 0.039 0.000 0.975 323 D CB 0.246 41.054 40.800 0.013 0.000 1.032 323 D HN 0.067 nan 8.370 nan 0.000 0.510 324 L N 0.828 122.106 121.223 0.091 0.000 2.401 324 L HA 0.400 4.762 4.340 0.037 0.000 0.266 324 L C -1.281 175.669 176.870 0.132 0.000 0.991 324 L CA -0.509 54.400 54.840 0.114 0.000 0.818 324 L CB 2.305 44.464 42.059 0.168 0.000 1.321 324 L HN -0.173 nan 8.230 nan 0.000 0.413 325 Q N 2.755 122.655 119.800 0.168 0.000 2.330 325 Q HA 0.779 5.141 4.340 0.037 0.000 0.269 325 Q C -1.466 174.806 176.000 0.453 0.000 1.022 325 Q CA -0.423 55.545 55.803 0.274 0.000 0.796 325 Q CB 2.655 31.523 28.738 0.218 0.000 1.271 325 Q HN 0.444 nan 8.270 nan 0.000 0.450 326 V N 2.592 122.717 119.914 0.352 0.000 2.735 326 V HA 0.534 4.676 4.120 0.037 0.000 0.310 326 V C -1.359 174.671 176.094 -0.108 0.000 1.061 326 V CA -0.901 61.510 62.300 0.185 0.000 0.913 326 V CB 2.007 33.859 31.823 0.048 0.000 1.005 326 V HN 0.608 nan 8.190 nan 0.000 0.428 327 L N 6.490 127.465 121.223 -0.415 0.000 2.319 327 L HA 0.843 5.205 4.340 0.037 0.000 0.281 327 L C -0.527 176.228 176.870 -0.192 0.000 1.005 327 L CA -0.153 54.344 54.840 -0.572 0.000 0.828 327 L CB 1.596 42.879 42.059 -1.293 0.000 1.227 327 L HN 0.575 nan 8.230 nan 0.000 0.415 328 V N 2.135 122.001 119.914 -0.079 0.000 2.823 328 V HA 1.122 5.264 4.120 0.037 0.000 0.312 328 V C -0.001 175.915 176.094 -0.297 0.000 1.072 328 V CA 0.091 62.336 62.300 -0.091 0.000 0.937 328 V CB 1.057 32.785 31.823 -0.158 0.000 1.013 328 V HN 0.995 nan 8.190 nan 0.000 0.430 329 G N 1.053 109.504 108.800 -0.582 0.000 2.488 329 G HA2 0.776 4.758 3.960 0.037 0.000 0.301 329 G HA3 0.776 4.758 3.960 0.037 0.000 0.301 329 G C -1.246 173.318 174.900 -0.561 0.000 1.339 329 G CA 0.035 44.388 45.100 -1.244 0.000 0.803 329 G HN 1.973 nan 8.290 nan 0.000 0.482 330 V N -2.245 117.463 119.914 -0.343 0.000 3.078 330 V HA 0.908 5.050 4.120 0.037 0.000 0.311 330 V C 0.352 176.632 176.094 0.309 0.000 1.138 330 V CA -0.544 61.795 62.300 0.065 0.000 1.007 330 V CB 1.092 32.941 31.823 0.043 0.000 1.045 330 V HN 1.743 nan 8.190 nan 0.000 0.432 331 V N -0.053 120.078 119.914 0.361 0.000 2.997 331 V HA 0.533 4.675 4.120 0.037 0.000 0.311 331 V C 1.498 177.801 176.094 0.348 0.000 1.066 331 V CA 0.084 62.653 62.300 0.449 0.000 1.039 331 V CB 1.141 33.218 31.823 0.423 0.000 1.081 331 V HN 1.103 nan 8.190 nan 0.000 0.467 332 K N -0.056 120.549 120.400 0.341 0.000 2.209 332 K HA -0.093 4.249 4.320 0.037 0.000 0.204 332 K C 0.375 177.105 176.600 0.216 0.000 1.048 332 K CA 1.922 58.357 56.287 0.246 0.000 0.940 332 K CB 0.068 32.690 32.500 0.202 0.000 0.729 332 K HN 0.909 nan 8.250 nan 0.000 0.451 333 D N 0.898 121.435 120.400 0.228 0.000 2.739 333 D HA 0.026 4.688 4.640 0.037 0.000 0.335 333 D C 0.035 176.469 176.300 0.223 0.000 1.216 333 D CA -0.088 54.032 54.000 0.199 0.000 0.808 333 D CB 1.173 42.068 40.800 0.158 0.000 1.121 333 D HN 0.151 nan 8.370 nan 0.000 0.499 334 E N 0.416 120.762 120.200 0.244 0.000 2.171 334 E HA -0.142 4.230 4.350 0.037 0.000 0.197 334 E C 1.905 178.680 176.600 0.292 0.000 0.997 334 E CA 0.849 57.428 56.400 0.298 0.000 0.810 334 E CB 0.136 29.979 29.700 0.237 0.000 0.738 334 E HN 0.401 nan 8.360 nan 0.000 0.467 335 G N 0.882 109.812 108.800 0.217 0.000 2.777 335 G HA2 -0.128 3.854 3.960 0.037 0.000 0.211 335 G HA3 -0.128 3.854 3.960 0.037 0.000 0.211 335 G C 1.680 176.735 174.900 0.258 0.000 1.149 335 G CA 0.714 45.947 45.100 0.222 0.000 0.785 335 G HN 0.354 nan 8.290 nan 0.000 0.536 336 S N 1.467 117.283 115.700 0.193 0.000 2.355 336 S HA 0.055 4.547 4.470 0.037 0.000 0.222 336 S C 2.650 177.256 174.600 0.008 0.000 1.031 336 S CA 1.484 59.767 58.200 0.139 0.000 0.993 336 S CB -0.629 62.588 63.200 0.029 0.000 0.859 336 S HN 0.485 nan 8.310 nan 0.000 0.453 337 A N 1.278 124.010 122.820 -0.146 0.000 1.917 337 A HA 0.016 4.358 4.320 0.037 0.000 0.219 337 A C 1.962 179.462 177.584 -0.140 0.000 1.182 337 A CA 1.687 53.507 52.037 -0.360 0.000 0.633 337 A CB -1.331 17.363 19.000 -0.510 0.000 0.819 337 A HN 0.580 nan 8.150 nan 0.000 0.448 338 F N 0.142 120.084 119.950 -0.013 0.000 2.269 338 F HA -0.122 4.426 4.527 0.036 0.000 0.301 338 F C 2.031 177.872 175.800 0.069 0.000 1.082 338 F CA 1.075 59.091 58.000 0.027 0.000 1.360 338 F CB -0.407 38.537 39.000 -0.094 0.000 1.041 338 F HN 0.123 nan 8.300 nan 0.000 0.512 339 L N -0.163 121.145 121.223 0.143 0.000 2.083 339 L HA -0.165 4.197 4.340 0.037 0.000 0.209 339 L C 2.499 179.425 176.870 0.093 0.000 1.083 339 L CA 1.198 55.994 54.840 -0.073 0.000 0.752 339 L CB -0.983 40.792 42.059 -0.474 0.000 0.899 339 L HN 0.189 nan 8.230 nan 0.000 0.433 340 V N -4.141 115.879 119.914 0.176 0.000 2.970 340 V HA -0.194 3.948 4.120 0.037 0.000 0.260 340 V C 1.051 177.130 176.094 -0.025 0.000 1.100 340 V CA 0.761 63.161 62.300 0.168 0.000 1.122 340 V CB -1.185 30.760 31.823 0.203 0.000 0.721 340 V HN 0.284 nan 8.190 nan 0.000 0.483 341 Y N 2.282 122.632 120.300 0.084 0.000 2.930 341 Y HA 0.626 5.198 4.550 0.036 0.000 0.386 341 Y C 1.549 177.490 175.900 0.068 0.000 1.185 341 Y CA 0.361 58.486 58.100 0.041 0.000 1.922 341 Y CB 0.070 38.534 38.460 0.006 0.000 2.006 341 Y HN 0.413 nan 8.280 nan 0.000 0.431 342 G N -0.885 108.023 108.800 0.181 0.000 2.229 342 G HA2 -0.223 3.759 3.960 0.037 0.000 0.189 342 G HA3 -0.223 3.759 3.960 0.037 0.000 0.189 342 G C -0.389 174.616 174.900 0.175 0.000 1.000 342 G CA -0.298 44.912 45.100 0.182 0.000 0.663 342 G HN 0.151 nan 8.290 nan 0.000 0.493 343 V N 2.808 122.828 119.914 0.176 0.000 2.389 343 V HA 0.404 4.546 4.120 0.037 0.000 0.264 343 V C -1.502 174.784 176.094 0.320 0.000 1.049 343 V CA -1.463 60.955 62.300 0.196 0.000 0.932 343 V CB 0.904 32.766 31.823 0.066 0.000 1.011 343 V HN 0.138 nan 8.190 nan 0.000 0.475 344 P HA 0.224 nan 4.420 nan 0.000 0.266 344 P C 1.086 178.516 177.300 0.217 0.000 1.193 344 P CA 1.250 64.468 63.100 0.196 0.000 0.770 344 P CB 0.626 32.403 31.700 0.129 0.000 0.836 345 G N 0.248 109.101 108.800 0.089 0.000 2.217 345 G HA2 -0.227 3.755 3.960 0.037 0.000 0.246 345 G HA3 -0.227 3.755 3.960 0.037 0.000 0.246 345 G C -0.164 174.555 174.900 -0.302 0.000 0.990 345 G CA -0.478 44.547 45.100 -0.124 0.000 0.627 345 G HN 0.399 nan 8.290 nan 0.000 0.522 346 F N 1.125 121.097 119.950 0.036 0.000 2.458 346 F HA 0.820 5.368 4.527 0.036 0.000 0.330 346 F C 0.580 176.480 175.800 0.167 0.000 1.082 346 F CA -0.161 57.881 58.000 0.070 0.000 0.995 346 F CB 2.351 41.431 39.000 0.133 0.000 1.170 346 F HN 0.258 nan 8.300 nan 0.000 0.478 347 S N 0.984 116.950 115.700 0.443 0.000 2.578 347 S HA 0.266 4.758 4.470 0.037 0.000 0.272 347 S C 0.019 174.925 174.600 0.510 0.000 1.145 347 S CA -0.792 57.653 58.200 0.408 0.000 0.835 347 S CB 1.327 64.668 63.200 0.235 0.000 1.104 347 S HN 0.758 nan 8.310 nan 0.000 0.458 348 K N 0.861 121.447 120.400 0.311 0.000 2.365 348 K HA 0.174 4.516 4.320 0.037 0.000 0.197 348 K C 0.115 176.723 176.600 0.014 0.000 1.042 348 K CA 1.040 57.405 56.287 0.129 0.000 0.987 348 K CB -0.122 32.246 32.500 -0.220 0.000 0.779 348 K HN 0.426 nan 8.250 nan 0.000 0.484 349 D N 1.126 121.518 120.400 -0.013 0.000 2.340 349 D HA 0.003 4.665 4.640 0.037 0.000 0.220 349 D C -0.417 175.901 176.300 0.031 0.000 1.039 349 D CA 0.333 54.303 54.000 -0.050 0.000 0.866 349 D CB -0.003 40.746 40.800 -0.084 0.000 0.913 349 D HN 0.508 nan 8.370 nan 0.000 0.523 350 N N -1.575 117.191 118.700 0.110 0.000 2.732 350 N HA 0.087 4.849 4.740 0.037 0.000 0.259 350 N C 0.154 175.750 175.510 0.143 0.000 1.402 350 N CA -0.647 52.454 53.050 0.084 0.000 0.829 350 N CB 0.814 39.308 38.487 0.011 0.000 1.495 350 N HN -0.349 nan 8.380 nan 0.000 0.511 351 E N -0.281 119.944 120.200 0.042 0.000 2.463 351 E HA -0.047 4.325 4.350 0.037 0.000 0.201 351 E C -0.564 175.727 176.600 -0.514 0.000 1.045 351 E CA 0.717 57.088 56.400 -0.049 0.000 0.872 351 E CB -0.354 29.322 29.700 -0.040 0.000 0.797 351 E HN 0.576 nan 8.360 nan 0.000 0.538 352 S N 0.191 115.619 115.700 -0.454 0.000 3.572 352 S HA -0.180 4.312 4.470 0.037 0.000 0.394 352 S C -0.115 174.070 174.600 -0.692 0.000 0.923 352 S CA 0.123 57.915 58.200 -0.681 0.000 1.291 352 S CB -1.287 61.292 63.200 -1.034 0.000 0.914 352 S HN 0.269 nan 8.310 nan 0.000 0.545 353 L N 2.559 123.524 121.223 -0.430 0.000 2.302 353 L HA 0.465 4.827 4.340 0.037 0.000 0.285 353 L C 0.831 177.514 176.870 -0.311 0.000 1.090 353 L CA -0.483 54.160 54.840 -0.328 0.000 0.866 353 L CB 0.054 41.990 42.059 -0.205 0.000 1.244 353 L HN 0.502 nan 8.230 nan 0.000 0.435 354 I N -0.198 120.153 120.570 -0.366 0.000 2.886 354 I HA 0.513 4.705 4.170 0.037 0.000 0.299 354 I C 0.916 176.954 176.117 -0.131 0.000 1.044 354 I CA -0.427 60.705 61.300 -0.280 0.000 1.310 354 I CB 1.145 38.950 38.000 -0.326 0.000 1.441 354 I HN 0.543 nan 8.210 nan 0.000 0.578 355 S N 2.543 118.204 115.700 -0.065 0.000 2.686 355 S HA 0.350 4.842 4.470 0.037 0.000 0.270 355 S C 0.969 175.595 174.600 0.044 0.000 1.194 355 S CA -0.461 57.729 58.200 -0.016 0.000 0.990 355 S CB 1.420 64.620 63.200 -0.001 0.000 1.029 355 S HN 0.844 nan 8.310 nan 0.000 0.560 356 R N 0.344 120.877 120.500 0.054 0.000 2.073 356 R HA -0.034 4.328 4.340 0.037 0.000 0.234 356 R C 2.445 178.846 176.300 0.169 0.000 1.134 356 R CA 1.689 57.862 56.100 0.122 0.000 0.952 356 R CB -1.269 29.079 30.300 0.080 0.000 0.850 356 R HN 0.820 nan 8.270 nan 0.000 0.433 357 A N 0.571 123.453 122.820 0.103 0.000 1.892 357 A HA -0.270 4.072 4.320 0.037 0.000 0.218 357 A C 2.109 179.751 177.584 0.097 0.000 1.188 357 A CA 1.843 53.932 52.037 0.086 0.000 0.631 357 A CB -0.669 18.365 19.000 0.057 0.000 0.822 357 A HN 0.565 nan 8.150 nan 0.000 0.447 358 Q N -1.955 117.907 119.800 0.104 0.000 2.124 358 Q HA -0.157 4.205 4.340 0.037 0.000 0.202 358 Q C 1.900 178.021 176.000 0.201 0.000 0.977 358 Q CA 1.626 57.503 55.803 0.123 0.000 0.850 358 Q CB -0.292 28.492 28.738 0.077 0.000 0.901 358 Q HN 0.817 nan 8.270 nan 0.000 0.429 359 F N 0.892 120.884 119.950 0.070 0.000 2.146 359 F HA -0.176 4.377 4.527 0.043 0.000 0.298 359 F C 1.665 177.512 175.800 0.078 0.000 1.096 359 F CA 1.009 59.062 58.000 0.087 0.000 1.275 359 F CB 0.117 39.150 39.000 0.054 0.000 1.008 359 F HN -0.039 nan 8.300 nan 0.000 0.480 360 L N 0.046 121.245 121.223 -0.041 0.000 2.093 360 L HA -0.115 4.247 4.340 0.037 0.000 0.208 360 L C 2.788 179.598 176.870 -0.099 0.000 1.085 360 L CA 0.990 55.744 54.840 -0.143 0.000 0.755 360 L CB -1.409 40.647 42.059 -0.005 0.000 0.904 360 L HN 0.228 nan 8.230 nan 0.000 0.435 361 A N 0.707 123.517 122.820 -0.017 0.000 1.968 361 A HA -0.017 4.325 4.320 0.037 0.000 0.217 361 A C 2.422 180.009 177.584 0.005 0.000 1.169 361 A CA 1.396 53.438 52.037 0.008 0.000 0.638 361 A CB -1.009 18.018 19.000 0.045 0.000 0.812 361 A HN 0.411 nan 8.150 nan 0.000 0.446 362 G N -0.395 108.412 108.800 0.013 0.000 2.422 362 G HA2 -0.095 3.887 3.960 0.037 0.000 0.218 362 G HA3 -0.095 3.887 3.960 0.037 0.000 0.218 362 G C 1.464 176.326 174.900 -0.064 0.000 1.146 362 G CA 1.228 46.341 45.100 0.022 0.000 0.769 362 G HN 0.304 nan 8.290 nan 0.000 0.547 363 V N 1.114 120.919 119.914 -0.182 0.000 2.407 363 V HA -0.152 3.990 4.120 0.037 0.000 0.248 363 V C 2.996 179.045 176.094 -0.075 0.000 1.055 363 V CA 1.635 63.830 62.300 -0.174 0.000 1.049 363 V CB -0.434 31.209 31.823 -0.299 0.000 0.662 363 V HN 0.213 nan 8.190 nan 0.000 0.455 364 R N 0.251 120.715 120.500 -0.060 0.000 2.080 364 R HA -0.091 4.271 4.340 0.037 0.000 0.236 364 R C 2.190 178.485 176.300 -0.010 0.000 1.137 364 R CA 1.737 57.821 56.100 -0.025 0.000 0.943 364 R CB -1.120 29.171 30.300 -0.016 0.000 0.846 364 R HN 0.447 nan 8.270 nan 0.000 0.431 365 I N 0.184 120.753 120.570 -0.000 0.000 2.194 365 I HA -0.227 3.965 4.170 0.037 0.000 0.246 365 I C 2.384 178.507 176.117 0.010 0.000 1.093 365 I CA 1.824 63.133 61.300 0.015 0.000 1.355 365 I CB -0.735 37.288 38.000 0.037 0.000 1.046 365 I HN 0.296 nan 8.210 nan 0.000 0.413 366 G N 0.133 108.931 108.800 -0.002 0.000 2.421 366 G HA2 -0.037 3.945 3.960 0.037 0.000 0.217 366 G HA3 -0.037 3.945 3.960 0.037 0.000 0.217 366 G C 0.830 175.748 174.900 0.030 0.000 1.143 366 G CA 0.329 45.429 45.100 0.001 0.000 0.784 366 G HN 0.262 nan 8.290 nan 0.000 0.541 367 V N 2.158 122.077 119.914 0.008 0.000 2.271 367 V HA 0.223 4.365 4.120 0.037 0.000 0.259 367 V C -1.443 174.661 176.094 0.016 0.000 1.030 367 V CA -1.167 61.127 62.300 -0.010 0.000 0.957 367 V CB 1.522 33.315 31.823 -0.049 0.000 1.186 367 V HN 0.075 nan 8.190 nan 0.000 0.471 368 P HA -0.196 nan 4.420 nan 0.000 0.220 368 P C 1.422 178.727 177.300 0.007 0.000 1.148 368 P CA 1.168 64.274 63.100 0.010 0.000 0.803 368 P CB 0.365 32.067 31.700 0.003 0.000 0.782 369 Q N 0.016 119.830 119.800 0.024 0.000 2.435 369 Q HA 0.075 4.437 4.340 0.037 0.000 0.207 369 Q C 0.722 176.725 176.000 0.004 0.000 0.956 369 Q CA 0.342 56.154 55.803 0.014 0.000 0.917 369 Q CB -0.702 28.055 28.738 0.031 0.000 0.997 369 Q HN 0.051 nan 8.270 nan 0.000 0.497 370 A N 2.291 125.114 122.820 0.005 0.000 2.409 370 A HA 0.373 4.715 4.320 0.037 0.000 0.262 370 A C 0.490 178.068 177.584 -0.010 0.000 1.113 370 A CA 0.102 52.136 52.037 -0.005 0.000 0.790 370 A CB 0.356 19.355 19.000 -0.001 0.000 1.046 370 A HN 0.514 nan 8.150 nan 0.000 0.496 371 S N 1.825 117.515 115.700 -0.017 0.000 2.606 371 S HA 0.092 4.584 4.470 0.037 0.000 0.257 371 S C 0.479 175.076 174.600 -0.005 0.000 1.327 371 S CA 0.424 58.615 58.200 -0.015 0.000 0.984 371 S CB 0.337 63.523 63.200 -0.024 0.000 0.941 371 S HN 0.616 nan 8.310 nan 0.000 0.576 372 D N 0.168 120.568 120.400 -0.001 0.000 2.123 372 D HA -0.075 4.587 4.640 0.037 0.000 0.196 372 D C 1.720 178.033 176.300 0.021 0.000 0.992 372 D CA 1.217 55.222 54.000 0.009 0.000 0.833 372 D CB -0.449 40.356 40.800 0.009 0.000 0.954 372 D HN 0.436 nan 8.370 nan 0.000 0.455 373 L N 0.586 121.820 121.223 0.019 0.000 2.027 373 L HA 0.006 4.368 4.340 0.037 0.000 0.206 373 L C 2.057 178.958 176.870 0.052 0.000 1.074 373 L CA 1.780 56.642 54.840 0.036 0.000 0.745 373 L CB -0.856 41.217 42.059 0.024 0.000 0.898 373 L HN -0.003 nan 8.230 nan 0.000 0.433 374 A N -0.357 122.474 122.820 0.018 0.000 1.940 374 A HA -0.145 4.197 4.320 0.037 0.000 0.219 374 A C 2.443 180.055 177.584 0.046 0.000 1.176 374 A CA 1.922 53.964 52.037 0.009 0.000 0.631 374 A CB -1.203 17.769 19.000 -0.047 0.000 0.814 374 A HN 0.596 nan 8.150 nan 0.000 0.446 375 A N -0.567 122.273 122.820 0.034 0.000 1.933 375 A HA -0.124 4.218 4.320 0.037 0.000 0.218 375 A C 1.971 179.591 177.584 0.060 0.000 1.175 375 A CA 2.047 54.103 52.037 0.033 0.000 0.628 375 A CB -0.420 18.585 19.000 0.008 0.000 0.814 375 A HN 0.534 nan 8.150 nan 0.000 0.444 376 E N 0.042 120.288 120.200 0.077 0.000 2.107 376 E HA 0.014 4.386 4.350 0.037 0.000 0.191 376 E C 2.024 178.720 176.600 0.159 0.000 0.982 376 E CA 1.237 57.702 56.400 0.108 0.000 0.809 376 E CB -0.387 29.370 29.700 0.096 0.000 0.756 376 E HN 0.476 nan 8.360 nan 0.000 0.459 377 A N 0.031 122.966 122.820 0.191 0.000 1.908 377 A HA -0.180 4.162 4.320 0.037 0.000 0.218 377 A C 2.436 180.187 177.584 0.278 0.000 1.181 377 A CA 1.744 53.957 52.037 0.292 0.000 0.627 377 A CB -0.869 18.395 19.000 0.439 0.000 0.818 377 A HN 0.194 nan 8.150 nan 0.000 0.445 378 V N -0.421 119.658 119.914 0.276 0.000 2.255 378 V HA -0.262 3.880 4.120 0.037 0.000 0.247 378 V C 2.575 178.835 176.094 0.276 0.000 1.051 378 V CA 2.089 64.525 62.300 0.227 0.000 1.018 378 V CB -1.011 30.924 31.823 0.188 0.000 0.641 378 V HN 0.373 nan 8.190 nan 0.000 0.445 379 V N -0.050 119.985 119.914 0.201 0.000 2.252 379 V HA -0.293 3.849 4.120 0.037 0.000 0.249 379 V C 2.321 178.629 176.094 0.358 0.000 1.056 379 V CA 2.270 64.730 62.300 0.268 0.000 1.022 379 V CB -0.616 31.301 31.823 0.157 0.000 0.641 379 V HN 0.464 nan 8.190 nan 0.000 0.445 380 L N -0.711 120.708 121.223 0.328 0.000 2.191 380 L HA -0.198 4.164 4.340 0.037 0.000 0.212 380 L C 2.470 179.537 176.870 0.327 0.000 1.103 380 L CA 1.771 56.881 54.840 0.451 0.000 0.769 380 L CB -0.761 41.489 42.059 0.319 0.000 0.908 380 L HN 0.482 nan 8.230 nan 0.000 0.438 381 H N -1.080 117.975 119.070 -0.024 0.000 2.436 381 H HA -0.124 4.455 4.556 0.040 0.000 0.294 381 H C 1.660 176.811 175.328 -0.295 0.000 1.048 381 H CA 1.597 57.443 56.048 -0.338 0.000 1.353 381 H CB 0.181 29.335 29.762 -1.013 0.000 1.414 381 H HN 0.248 nan 8.280 nan 0.000 0.536 382 Y N -0.398 119.927 120.300 0.042 0.000 2.458 382 Y HA 0.166 4.737 4.550 0.035 0.000 0.254 382 Y C 0.699 176.524 175.900 -0.125 0.000 1.120 382 Y CA 0.069 58.202 58.100 0.054 0.000 1.282 382 Y CB 0.531 39.183 38.460 0.319 0.000 1.109 382 Y HN 0.004 nan 8.280 nan 0.000 0.526 383 T N 1.637 116.107 114.554 -0.139 0.000 2.928 383 T HA -0.087 4.285 4.350 0.037 0.000 0.305 383 T C -0.141 174.122 174.700 -0.728 0.000 1.035 383 T CA -0.087 61.633 62.100 -0.634 0.000 1.145 383 T CB 0.301 68.439 68.868 -1.216 0.000 0.963 383 T HN 0.091 nan 8.240 nan 0.000 0.545 384 D N 1.965 122.020 120.400 -0.576 0.000 2.393 384 D HA 0.068 4.730 4.640 0.037 0.000 0.232 384 D C 0.075 176.097 176.300 -0.463 0.000 1.192 384 D CA -0.422 53.331 54.000 -0.412 0.000 0.882 384 D CB 0.416 41.004 40.800 -0.353 0.000 1.038 384 D HN 0.641 nan 8.370 nan 0.000 0.499 385 W N 3.140 124.351 121.300 -0.148 0.000 2.721 385 W HA -0.074 4.606 4.660 0.034 0.000 0.245 385 W C 1.806 178.210 176.519 -0.192 0.000 1.276 385 W CA -0.492 56.769 57.345 -0.140 0.000 1.342 385 W CB 0.244 29.637 29.460 -0.112 0.000 1.135 385 W HN 0.401 nan 8.180 nan 0.000 0.654 386 L N -0.694 120.430 121.223 -0.164 0.000 2.202 386 L HA 0.054 4.416 4.340 0.037 0.000 0.205 386 L C 0.117 176.587 176.870 -0.667 0.000 1.083 386 L CA 1.698 56.295 54.840 -0.405 0.000 0.790 386 L CB -0.756 40.993 42.059 -0.515 0.000 0.942 386 L HN -0.029 nan 8.230 nan 0.000 0.452 387 H N -0.733 118.187 119.070 -0.250 0.000 2.336 387 H HA 0.294 4.856 4.556 0.011 0.000 0.230 387 H C -1.795 173.352 175.328 -0.302 0.000 1.426 387 H CA -1.644 54.240 56.048 -0.273 0.000 1.359 387 H CB 0.134 29.664 29.762 -0.387 0.000 1.555 387 H HN 0.063 nan 8.280 nan 0.000 0.512 388 P HA -0.158 nan 4.420 nan 0.000 0.220 388 P C 0.425 177.601 177.300 -0.206 0.000 1.148 388 P CA 1.256 64.197 63.100 -0.265 0.000 0.803 388 P CB 0.656 32.294 31.700 -0.103 0.000 0.782 389 E N -0.516 119.623 120.200 -0.102 0.000 2.693 389 E HA 0.082 4.454 4.350 0.037 0.000 0.214 389 E C -0.371 176.199 176.600 -0.051 0.000 0.990 389 E CA -0.243 56.116 56.400 -0.068 0.000 1.047 389 E CB 0.122 29.807 29.700 -0.025 0.000 1.039 389 E HN 0.206 nan 8.360 nan 0.000 0.475 390 D N 1.691 122.065 120.400 -0.043 0.000 2.339 390 D HA 0.046 4.708 4.640 0.037 0.000 0.256 390 D C -1.669 174.617 176.300 -0.023 0.000 1.214 390 D CA -1.965 52.035 54.000 0.000 0.000 0.877 390 D CB 1.389 42.237 40.800 0.079 0.000 1.111 390 D HN -0.184 nan 8.370 nan 0.000 0.478 391 P HA -0.138 nan 4.420 nan 0.000 0.215 391 P C 1.174 178.405 177.300 -0.116 0.000 1.153 391 P CA 1.147 64.188 63.100 -0.098 0.000 0.853 391 P CB 0.149 31.784 31.700 -0.109 0.000 0.788 392 T N -1.639 112.855 114.554 -0.099 0.000 2.684 392 T HA -0.211 4.161 4.350 0.037 0.000 0.267 392 T C 1.557 176.168 174.700 -0.148 0.000 1.036 392 T CA 1.744 63.763 62.100 -0.134 0.000 1.148 392 T CB -1.121 67.660 68.868 -0.145 0.000 0.863 392 T HN 0.288 nan 8.240 nan 0.000 0.436 393 H N 0.487 119.483 119.070 -0.124 0.000 2.357 393 H HA 0.117 4.689 4.556 0.026 0.000 0.301 393 H C 2.165 177.373 175.328 -0.199 0.000 1.082 393 H CA 1.095 57.063 56.048 -0.133 0.000 1.342 393 H CB -0.317 29.363 29.762 -0.137 0.000 1.389 393 H HN 0.214 nan 8.280 nan 0.000 0.511 394 L N -0.107 121.031 121.223 -0.142 0.000 2.027 394 L HA -0.170 4.192 4.340 0.037 0.000 0.206 394 L C 2.753 179.549 176.870 -0.124 0.000 1.074 394 L CA 1.161 55.797 54.840 -0.340 0.000 0.745 394 L CB -0.421 41.467 42.059 -0.285 0.000 0.898 394 L HN 0.233 nan 8.230 nan 0.000 0.433 395 R N 0.860 121.330 120.500 -0.050 0.000 2.103 395 R HA -0.217 4.145 4.340 0.037 0.000 0.234 395 R C 1.827 178.220 176.300 0.154 0.000 1.132 395 R CA 2.494 58.635 56.100 0.069 0.000 0.925 395 R CB -0.644 29.547 30.300 -0.182 0.000 0.842 395 R HN 0.340 nan 8.270 nan 0.000 0.430 396 D N 0.337 120.779 120.400 0.070 0.000 2.158 396 D HA -0.156 4.506 4.640 0.037 0.000 0.197 396 D C 1.758 178.141 176.300 0.138 0.000 0.995 396 D CA 1.579 55.651 54.000 0.118 0.000 0.846 396 D CB -0.329 40.498 40.800 0.044 0.000 0.941 396 D HN 0.431 nan 8.370 nan 0.000 0.456 397 A N 0.754 123.626 122.820 0.087 0.000 1.877 397 A HA -0.177 4.165 4.320 0.037 0.000 0.216 397 A C 2.179 179.874 177.584 0.185 0.000 1.186 397 A CA 1.840 53.950 52.037 0.123 0.000 0.620 397 A CB -0.583 18.377 19.000 -0.067 0.000 0.822 397 A HN 0.167 nan 8.150 nan 0.000 0.443 398 M N 0.327 120.107 119.600 0.300 0.000 2.106 398 M HA -0.142 4.360 4.480 0.037 0.000 0.259 398 M C 2.302 178.666 176.300 0.107 0.000 1.068 398 M CA 2.329 57.821 55.300 0.319 0.000 1.100 398 M CB -0.592 32.259 32.600 0.419 0.000 1.351 398 M HN 0.458 nan 8.290 nan 0.000 0.404 399 S N -0.302 115.479 115.700 0.135 0.000 2.356 399 S HA -0.106 4.386 4.470 0.037 0.000 0.223 399 S C 2.087 176.750 174.600 0.105 0.000 1.032 399 S CA 1.660 59.940 58.200 0.134 0.000 1.005 399 S CB -0.715 62.630 63.200 0.243 0.000 0.867 399 S HN 0.642 nan 8.310 nan 0.000 0.449 400 A N 1.113 124.004 122.820 0.118 0.000 1.883 400 A HA -0.014 4.328 4.320 0.037 0.000 0.217 400 A C 2.402 179.998 177.584 0.020 0.000 1.186 400 A CA 1.899 54.018 52.037 0.136 0.000 0.624 400 A CB -1.338 17.822 19.000 0.266 0.000 0.822 400 A HN 0.474 nan 8.150 nan 0.000 0.444 401 V N -0.231 119.546 119.914 -0.227 0.000 2.220 401 V HA -0.319 3.823 4.120 0.037 0.000 0.250 401 V C 2.613 178.657 176.094 -0.083 0.000 1.056 401 V CA 2.410 64.549 62.300 -0.269 0.000 1.016 401 V CB -0.940 30.730 31.823 -0.255 0.000 0.639 401 V HN 0.405 nan 8.190 nan 0.000 0.446 402 V N 0.580 120.450 119.914 -0.075 0.000 2.332 402 V HA -0.195 3.947 4.120 0.037 0.000 0.248 402 V C 2.565 178.537 176.094 -0.203 0.000 1.055 402 V CA 2.230 64.460 62.300 -0.117 0.000 1.038 402 V CB -1.471 30.314 31.823 -0.063 0.000 0.651 402 V HN 0.637 nan 8.190 nan 0.000 0.450 403 G N -0.462 108.285 108.800 -0.089 0.000 2.394 403 G HA2 -0.201 3.781 3.960 0.037 0.000 0.215 403 G HA3 -0.201 3.781 3.960 0.037 0.000 0.215 403 G C 1.207 176.027 174.900 -0.133 0.000 1.165 403 G CA 0.899 45.957 45.100 -0.070 0.000 0.784 403 G HN 0.498 nan 8.290 nan 0.000 0.535 404 D N -0.196 120.151 120.400 -0.089 0.000 2.097 404 D HA -0.091 4.571 4.640 0.037 0.000 0.195 404 D C 2.118 178.133 176.300 -0.474 0.000 0.989 404 D CA 1.275 55.205 54.000 -0.118 0.000 0.827 404 D CB -0.448 40.457 40.800 0.175 0.000 0.966 404 D HN 0.386 nan 8.370 nan 0.000 0.456 405 H N 0.805 119.347 119.070 -0.879 0.000 2.326 405 H HA 0.031 4.609 4.556 0.036 0.000 0.301 405 H C 1.488 176.372 175.328 -0.740 0.000 1.081 405 H CA 1.719 56.975 56.048 -1.319 0.000 1.334 405 H CB -0.009 28.950 29.762 -1.338 0.000 1.385 405 H HN 0.013 nan 8.280 nan 0.000 0.504 406 N N -0.749 117.471 118.700 -0.801 0.000 2.402 406 N HA -0.008 4.754 4.740 0.037 0.000 0.174 406 N C 1.490 176.726 175.510 -0.458 0.000 1.027 406 N CA 1.138 53.673 53.050 -0.859 0.000 0.891 406 N CB 0.867 38.300 38.487 -1.756 0.000 1.016 406 N HN 0.265 nan 8.380 nan 0.000 0.439 407 V N -0.027 119.673 119.914 -0.356 0.000 3.001 407 V HA 0.051 4.193 4.120 0.037 0.000 0.228 407 V C 2.253 178.299 176.094 -0.080 0.000 1.204 407 V CA 0.310 62.546 62.300 -0.108 0.000 1.247 407 V CB -0.153 31.683 31.823 0.022 0.000 1.093 407 V HN -0.141 nan 8.190 nan 0.000 0.504 408 V N -0.104 119.764 119.914 -0.076 0.000 2.295 408 V HA -0.264 3.878 4.120 0.037 0.000 0.246 408 V C 2.470 178.530 176.094 -0.058 0.000 1.049 408 V CA 2.416 64.690 62.300 -0.043 0.000 1.024 408 V CB -0.812 31.017 31.823 0.010 0.000 0.648 408 V HN 0.644 nan 8.190 nan 0.000 0.447 409 c N -0.570 117.988 118.600 -0.070 0.000 2.475 409 c HA 0.047 4.639 4.570 0.037 0.000 0.279 409 c C 0.565 174.621 174.090 -0.058 0.000 1.322 409 c CA 0.657 56.973 56.329 -0.021 0.000 1.734 409 c CB -1.675 40.860 42.510 0.043 0.000 2.005 409 c HN 0.436 nan 8.230 nan 0.000 0.495 410 P HA -0.100 nan 4.420 nan 0.000 0.215 410 P C 1.820 179.056 177.300 -0.107 0.000 1.157 410 P CA 1.483 64.507 63.100 -0.126 0.000 0.874 410 P CB -0.178 31.419 31.700 -0.172 0.000 0.790 411 V N -0.042 119.812 119.914 -0.100 0.000 2.332 411 V HA -0.293 3.849 4.120 0.037 0.000 0.248 411 V C 2.408 178.406 176.094 -0.161 0.000 1.055 411 V CA 2.327 64.554 62.300 -0.122 0.000 1.038 411 V CB -1.678 30.071 31.823 -0.123 0.000 0.651 411 V HN 0.112 nan 8.190 nan 0.000 0.450 412 A N -1.245 121.499 122.820 -0.126 0.000 1.930 412 A HA -0.280 4.062 4.320 0.037 0.000 0.217 412 A C 2.240 179.780 177.584 -0.073 0.000 1.175 412 A CA 1.980 53.948 52.037 -0.116 0.000 0.627 412 A CB -0.460 18.524 19.000 -0.026 0.000 0.815 412 A HN 0.598 nan 8.150 nan 0.000 0.443 413 Q N -0.962 118.810 119.800 -0.048 0.000 2.083 413 Q HA -0.127 4.235 4.340 0.037 0.000 0.198 413 Q C 2.040 178.011 176.000 -0.048 0.000 0.969 413 Q CA 1.466 57.256 55.803 -0.021 0.000 0.838 413 Q CB -0.193 28.534 28.738 -0.019 0.000 0.900 413 Q HN 0.560 nan 8.270 nan 0.000 0.436 414 L N 0.733 121.900 121.223 -0.094 0.000 2.017 414 L HA -0.131 4.231 4.340 0.037 0.000 0.208 414 L C 2.257 179.042 176.870 -0.142 0.000 1.073 414 L CA 2.249 57.016 54.840 -0.122 0.000 0.745 414 L CB -0.800 41.174 42.059 -0.140 0.000 0.894 414 L HN 0.231 nan 8.230 nan 0.000 0.432 415 A N -0.473 122.226 122.820 -0.201 0.000 1.892 415 A HA -0.165 4.177 4.320 0.037 0.000 0.218 415 A C 2.329 179.870 177.584 -0.072 0.000 1.188 415 A CA 1.914 53.774 52.037 -0.296 0.000 0.631 415 A CB -1.694 16.869 19.000 -0.728 0.000 0.822 415 A HN 0.567 nan 8.150 nan 0.000 0.447 416 G N -1.056 107.772 108.800 0.046 0.000 2.402 416 G HA2 -0.158 3.824 3.960 0.037 0.000 0.216 416 G HA3 -0.158 3.824 3.960 0.037 0.000 0.216 416 G C 1.670 176.637 174.900 0.112 0.000 1.162 416 G CA 0.707 45.929 45.100 0.205 0.000 0.777 416 G HN 0.383 nan 8.290 nan 0.000 0.539 417 R N 0.345 120.876 120.500 0.051 0.000 2.073 417 R HA 0.085 4.447 4.340 0.037 0.000 0.234 417 R C 2.664 179.007 176.300 0.072 0.000 1.134 417 R CA 0.595 56.731 56.100 0.061 0.000 0.952 417 R CB -1.280 29.046 30.300 0.043 0.000 0.850 417 R HN 0.395 nan 8.270 nan 0.000 0.433 418 L N 0.322 121.526 121.223 -0.032 0.000 2.012 418 L HA -0.179 4.183 4.340 0.037 0.000 0.210 418 L C 2.611 179.519 176.870 0.063 0.000 1.073 418 L CA 1.627 56.420 54.840 -0.078 0.000 0.748 418 L CB -0.683 41.245 42.059 -0.218 0.000 0.891 418 L HN 0.175 nan 8.230 nan 0.000 0.431 419 A N -0.176 122.692 122.820 0.080 0.000 1.898 419 A HA -0.109 4.233 4.320 0.037 0.000 0.216 419 A C 2.518 180.158 177.584 0.094 0.000 1.181 419 A CA 1.526 53.626 52.037 0.104 0.000 0.620 419 A CB -0.695 18.413 19.000 0.180 0.000 0.819 419 A HN 0.396 nan 8.150 nan 0.000 0.442 420 A N -1.056 121.825 122.820 0.100 0.000 1.972 420 A HA -0.139 4.203 4.320 0.037 0.000 0.219 420 A C 1.743 179.383 177.584 0.093 0.000 1.169 420 A CA 1.595 53.683 52.037 0.085 0.000 0.635 420 A CB -0.294 18.757 19.000 0.084 0.000 0.810 420 A HN 0.605 nan 8.150 nan 0.000 0.446 421 Q N -1.885 117.998 119.800 0.138 0.000 2.241 421 Q HA 0.417 4.779 4.340 0.037 0.000 0.296 421 Q C 0.788 176.894 176.000 0.177 0.000 0.889 421 Q CA 0.331 56.231 55.803 0.161 0.000 1.089 421 Q CB 0.543 29.421 28.738 0.234 0.000 1.195 421 Q HN 0.750 nan 8.270 nan 0.000 0.451 422 G N -0.117 108.758 108.800 0.126 0.000 2.279 422 G HA2 -0.300 3.682 3.960 0.037 0.000 0.223 422 G HA3 -0.300 3.682 3.960 0.037 0.000 0.223 422 G C 0.468 175.435 174.900 0.111 0.000 1.015 422 G CA -0.249 44.912 45.100 0.102 0.000 0.621 422 G HN 0.595 nan 8.290 nan 0.000 0.506 423 A N 0.028 122.938 122.820 0.151 0.000 2.429 423 A HA 0.665 5.007 4.320 0.037 0.000 0.242 423 A C 0.633 178.252 177.584 0.059 0.000 1.088 423 A CA 1.130 53.236 52.037 0.116 0.000 0.784 423 A CB 0.244 19.294 19.000 0.085 0.000 1.038 423 A HN 0.924 nan 8.150 nan 0.000 0.501 424 R N 0.486 121.015 120.500 0.049 0.000 2.310 424 R HA 0.553 4.915 4.340 0.037 0.000 0.324 424 R C -1.650 174.616 176.300 -0.058 0.000 0.955 424 R CA -0.150 55.941 56.100 -0.015 0.000 0.830 424 R CB 0.989 31.316 30.300 0.045 0.000 1.154 424 R HN 0.485 nan 8.270 nan 0.000 0.458 425 V N 5.238 125.039 119.914 -0.189 0.000 2.604 425 V HA 0.471 4.613 4.120 0.037 0.000 0.305 425 V C -1.164 174.736 176.094 -0.323 0.000 1.043 425 V CA -0.780 61.438 62.300 -0.137 0.000 0.888 425 V CB 1.809 33.627 31.823 -0.009 0.000 0.995 425 V HN 0.666 nan 8.190 nan 0.000 0.429 426 Y N 2.036 122.278 120.300 -0.096 0.000 2.391 426 Y HA 0.777 5.349 4.550 0.036 0.000 0.341 426 Y C 0.265 176.207 175.900 0.069 0.000 0.965 426 Y CA -0.532 57.484 58.100 -0.138 0.000 1.067 426 Y CB 2.256 40.291 38.460 -0.709 0.000 1.199 426 Y HN 0.766 nan 8.280 nan 0.000 0.450 427 A N 3.323 126.496 122.820 0.588 0.000 2.374 427 A HA 0.877 5.219 4.320 0.037 0.000 0.317 427 A C -1.871 176.145 177.584 0.720 0.000 1.094 427 A CA -0.697 51.601 52.037 0.436 0.000 0.765 427 A CB 1.058 20.170 19.000 0.187 0.000 1.268 427 A HN 0.747 nan 8.150 nan 0.000 0.438 428 Y N -0.500 120.068 120.300 0.448 0.000 2.571 428 Y HA 0.768 5.340 4.550 0.036 0.000 0.341 428 Y C -1.278 174.833 175.900 0.352 0.000 1.076 428 Y CA -1.537 56.803 58.100 0.401 0.000 1.029 428 Y CB 1.224 39.944 38.460 0.434 0.000 1.308 428 Y HN 0.737 nan 8.280 nan 0.000 0.461 429 I N 3.872 124.776 120.570 0.557 0.000 2.465 429 I HA 0.537 4.729 4.170 0.037 0.000 0.291 429 I C -1.930 174.539 176.117 0.587 0.000 1.014 429 I CA -1.043 60.542 61.300 0.474 0.000 1.093 429 I CB 1.189 39.412 38.000 0.371 0.000 1.267 429 I HN 0.736 nan 8.210 nan 0.000 0.431 430 F N 7.117 127.356 119.950 0.481 0.000 2.411 430 F HA 0.445 4.995 4.527 0.037 0.000 0.352 430 F C 0.412 176.388 175.800 0.293 0.000 1.123 430 F CA -0.034 58.215 58.000 0.415 0.000 1.044 430 F CB 1.166 40.449 39.000 0.471 0.000 1.135 430 F HN 0.567 nan 8.300 nan 0.000 0.461 431 E N 2.755 122.890 120.200 -0.109 0.000 2.630 431 E HA -0.010 4.362 4.350 0.037 0.000 0.218 431 E C -0.825 175.704 176.600 -0.118 0.000 0.977 431 E CA -0.165 56.226 56.400 -0.014 0.000 1.038 431 E CB 0.293 29.992 29.700 -0.002 0.000 1.051 431 E HN 0.532 nan 8.360 nan 0.000 0.487 432 H N 1.476 120.259 119.070 -0.477 0.000 2.604 432 H HA 0.216 4.794 4.556 0.036 0.000 0.306 432 H C -0.350 174.970 175.328 -0.014 0.000 1.075 432 H CA -0.405 55.421 56.048 -0.370 0.000 1.357 432 H CB 0.454 29.800 29.762 -0.694 0.000 1.426 432 H HN -0.163 nan 8.280 nan 0.000 0.470 433 R N 4.261 124.466 120.500 -0.492 0.000 2.242 433 R HA 0.369 4.731 4.340 0.037 0.000 0.334 433 R C -0.473 175.541 176.300 -0.477 0.000 1.071 433 R CA -0.427 55.499 56.100 -0.290 0.000 0.922 433 R CB 0.075 30.288 30.300 -0.145 0.000 1.023 433 R HN 0.837 nan 8.270 nan 0.000 0.458 434 A N 3.224 126.083 122.820 0.065 0.000 2.566 434 A HA -0.029 4.313 4.320 0.037 0.000 0.245 434 A C 1.419 179.107 177.584 0.173 0.000 1.056 434 A CA 0.592 52.901 52.037 0.452 0.000 0.757 434 A CB 0.279 19.726 19.000 0.744 0.000 0.979 434 A HN 1.007 nan 8.150 nan 0.000 0.508 435 S N 1.909 117.728 115.700 0.197 0.000 2.419 435 S HA -0.188 4.304 4.470 0.037 0.000 0.235 435 S C 1.479 176.052 174.600 -0.045 0.000 1.019 435 S CA 1.742 59.979 58.200 0.062 0.000 0.982 435 S CB -0.988 62.271 63.200 0.098 0.000 0.789 435 S HN 1.229 nan 8.310 nan 0.000 0.490 436 T N -0.583 113.893 114.554 -0.129 0.000 3.160 436 T HA 0.284 4.656 4.350 0.037 0.000 0.257 436 T C 0.501 175.107 174.700 -0.156 0.000 1.147 436 T CA -0.290 61.668 62.100 -0.238 0.000 1.064 436 T CB -0.651 67.916 68.868 -0.503 0.000 0.949 436 T HN 0.302 nan 8.240 nan 0.000 0.526 437 L N 3.559 124.733 121.223 -0.082 0.000 2.513 437 L HA 0.185 4.547 4.340 0.037 0.000 0.272 437 L C 1.667 178.476 176.870 -0.101 0.000 1.187 437 L CA 0.385 55.175 54.840 -0.084 0.000 0.895 437 L CB 0.803 42.826 42.059 -0.059 0.000 1.147 437 L HN 0.370 nan 8.230 nan 0.000 0.483 438 T N -0.899 113.551 114.554 -0.172 0.000 3.086 438 T HA 0.089 4.461 4.350 0.037 0.000 0.250 438 T C 0.259 174.930 174.700 -0.047 0.000 1.074 438 T CA -0.486 61.516 62.100 -0.164 0.000 0.988 438 T CB -0.201 68.462 68.868 -0.342 0.000 0.988 438 T HN 0.371 nan 8.240 nan 0.000 0.530 439 W N 3.146 124.450 121.300 0.008 0.000 2.161 439 W HA 0.443 5.124 4.660 0.036 0.000 0.344 439 W C -2.034 174.387 176.519 -0.163 0.000 1.262 439 W CA -2.256 55.066 57.345 -0.039 0.000 1.270 439 W CB 0.419 29.779 29.460 -0.166 0.000 1.126 439 W HN -0.031 nan 8.180 nan 0.000 0.598 440 P HA 0.090 nan 4.420 nan 0.000 0.276 440 P C 0.501 177.710 177.300 -0.152 0.000 1.261 440 P CA -0.211 62.843 63.100 -0.077 0.000 0.800 440 P CB 1.007 32.663 31.700 -0.075 0.000 1.066 441 L N 0.105 121.305 121.223 -0.038 0.000 2.081 441 L HA -0.143 4.219 4.340 0.037 0.000 0.212 441 L C 2.422 179.312 176.870 0.034 0.000 1.080 441 L CA 1.598 56.441 54.840 0.006 0.000 0.754 441 L CB -0.762 41.333 42.059 0.059 0.000 0.893 441 L HN 0.605 nan 8.230 nan 0.000 0.433 442 W N -1.564 119.770 121.300 0.057 0.000 2.699 442 W HA -0.104 4.577 4.660 0.035 0.000 0.249 442 W C 1.653 178.219 176.519 0.079 0.000 1.280 442 W CA 0.271 57.652 57.345 0.060 0.000 1.345 442 W CB -0.632 28.865 29.460 0.061 0.000 1.128 442 W HN 0.182 nan 8.180 nan 0.000 0.642 443 M N 1.307 120.567 119.600 -0.567 0.000 2.562 443 M HA 0.127 4.629 4.480 0.037 0.000 0.257 443 M C 1.732 177.940 176.300 -0.154 0.000 1.099 443 M CA 1.545 56.509 55.300 -0.561 0.000 1.099 443 M CB -0.429 31.666 32.600 -0.842 0.000 1.427 443 M HN 0.193 nan 8.290 nan 0.000 0.489 444 G N 0.386 109.150 108.800 -0.060 0.000 2.556 444 G HA2 -0.282 3.700 3.960 0.037 0.000 0.283 444 G HA3 -0.282 3.700 3.960 0.037 0.000 0.283 444 G C -0.225 174.688 174.900 0.022 0.000 1.177 444 G CA -0.243 44.870 45.100 0.020 0.000 0.978 444 G HN 0.193 nan 8.290 nan 0.000 0.554 445 V N 3.672 123.646 119.914 0.100 0.000 2.270 445 V HA 0.439 4.581 4.120 0.037 0.000 0.263 445 V C -1.672 174.548 176.094 0.211 0.000 1.066 445 V CA -0.720 61.692 62.300 0.186 0.000 0.857 445 V CB 0.903 32.905 31.823 0.298 0.000 1.099 445 V HN 0.533 nan 8.190 nan 0.000 0.476 446 P HA 0.126 nan 4.420 nan 0.000 0.274 446 P C -0.178 177.336 177.300 0.356 0.000 1.256 446 P CA -0.496 62.698 63.100 0.156 0.000 0.795 446 P CB 0.352 31.997 31.700 -0.093 0.000 1.038 447 H N 0.483 119.653 119.070 0.167 0.000 3.217 447 H HA 0.257 4.835 4.556 0.036 0.000 0.272 447 H C 1.457 176.808 175.328 0.038 0.000 0.929 447 H CA 2.189 58.319 56.048 0.136 0.000 1.425 447 H CB -1.112 28.726 29.762 0.128 0.000 1.505 447 H HN 0.708 nan 8.280 nan 0.000 0.542 448 G N 3.805 112.508 108.800 -0.162 0.000 2.179 448 G HA2 -0.281 3.701 3.960 0.037 0.000 0.220 448 G HA3 -0.281 3.701 3.960 0.037 0.000 0.220 448 G C 0.349 175.219 174.900 -0.051 0.000 0.990 448 G CA 0.196 45.162 45.100 -0.222 0.000 0.646 448 G HN 0.613 nan 8.290 nan 0.000 0.517 449 Y N 1.359 121.794 120.300 0.224 0.000 2.583 449 Y HA 0.281 4.853 4.550 0.038 0.000 0.294 449 Y C 2.124 178.162 175.900 0.230 0.000 1.170 449 Y CA 0.647 58.920 58.100 0.288 0.000 1.265 449 Y CB 0.472 39.134 38.460 0.336 0.000 1.119 449 Y HN 0.471 nan 8.280 nan 0.000 0.522 450 E N -0.091 120.111 120.200 0.003 0.000 2.452 450 E HA -0.023 4.349 4.350 0.037 0.000 0.197 450 E C 1.416 177.919 176.600 -0.162 0.000 1.022 450 E CA 0.511 56.581 56.400 -0.549 0.000 0.890 450 E CB -0.186 28.767 29.700 -1.245 0.000 0.918 450 E HN 0.535 nan 8.360 nan 0.000 0.496 451 I N 1.518 122.094 120.570 0.009 0.000 2.110 451 I HA -0.249 3.943 4.170 0.037 0.000 0.236 451 I C 2.534 178.648 176.117 -0.005 0.000 1.068 451 I CA 1.523 62.862 61.300 0.065 0.000 1.333 451 I CB -0.471 37.627 38.000 0.163 0.000 1.054 451 I HN 0.116 nan 8.210 nan 0.000 0.402 452 E N 0.337 120.460 120.200 -0.129 0.000 2.549 452 E HA -0.344 4.028 4.350 0.037 0.000 0.249 452 E C 1.904 178.226 176.600 -0.464 0.000 1.084 452 E CA 2.750 58.964 56.400 -0.311 0.000 1.243 452 E CB -0.298 29.242 29.700 -0.265 0.000 1.105 452 E HN 0.401 nan 8.360 nan 0.000 0.477 453 F N -0.412 119.425 119.950 -0.188 0.000 2.118 453 F HA -0.079 4.470 4.527 0.038 0.000 0.293 453 F C 2.309 177.868 175.800 -0.402 0.000 1.102 453 F CA 0.598 58.420 58.000 -0.298 0.000 1.247 453 F CB -0.312 38.571 39.000 -0.195 0.000 1.017 453 F HN 0.084 nan 8.300 nan 0.000 0.475 454 I N -0.439 119.962 120.570 -0.283 0.000 2.236 454 I HA -0.327 3.865 4.170 0.037 0.000 0.249 454 I C 2.150 178.005 176.117 -0.436 0.000 1.102 454 I CA 1.804 62.776 61.300 -0.546 0.000 1.365 454 I CB -1.567 36.006 38.000 -0.711 0.000 1.051 454 I HN 0.106 nan 8.210 nan 0.000 0.420 455 F N 0.771 120.520 119.950 -0.336 0.000 2.661 455 F HA 0.186 4.735 4.527 0.036 0.000 0.298 455 F C 1.972 177.593 175.800 -0.297 0.000 1.137 455 F CA 0.926 58.763 58.000 -0.272 0.000 1.454 455 F CB -0.242 38.581 39.000 -0.294 0.000 1.103 455 F HN 0.302 nan 8.300 nan 0.000 0.577 456 G N -0.109 108.494 108.800 -0.327 0.000 2.143 456 G HA2 -0.306 3.676 3.960 0.037 0.000 0.249 456 G HA3 -0.306 3.676 3.960 0.037 0.000 0.249 456 G C 1.013 175.246 174.900 -1.113 0.000 0.981 456 G CA 0.350 45.127 45.100 -0.539 0.000 0.665 456 G HN 0.299 nan 8.290 nan 0.000 0.528 457 L N 0.561 121.178 121.223 -1.010 0.000 2.129 457 L HA 0.021 4.383 4.340 0.037 0.000 0.212 457 L C 0.253 176.533 176.870 -0.984 0.000 1.087 457 L CA 2.693 56.889 54.840 -1.073 0.000 0.757 457 L CB -0.841 40.850 42.059 -0.614 0.000 0.896 457 L HN 0.218 nan 8.230 nan 0.000 0.434 458 P HA -0.097 nan 4.420 nan 0.000 0.234 458 P C 1.465 178.514 177.300 -0.419 0.000 1.167 458 P CA 0.745 63.251 63.100 -0.990 0.000 0.763 458 P CB 0.090 31.238 31.700 -0.920 0.000 0.835 459 L N -1.122 119.816 121.223 -0.475 0.000 2.395 459 L HA 0.012 4.374 4.340 0.037 0.000 0.218 459 L C 0.970 177.805 176.870 -0.058 0.000 1.130 459 L CA 1.092 55.800 54.840 -0.220 0.000 0.826 459 L CB -0.963 40.997 42.059 -0.164 0.000 0.941 459 L HN -0.060 nan 8.230 nan 0.000 0.451 460 D N 0.077 120.426 120.400 -0.085 0.000 2.336 460 D HA 0.085 4.747 4.640 0.037 0.000 0.249 460 D C -1.663 174.669 176.300 0.053 0.000 1.213 460 D CA -1.923 52.131 54.000 0.090 0.000 0.870 460 D CB 1.573 42.471 40.800 0.163 0.000 1.076 460 D HN -0.012 nan 8.370 nan 0.000 0.483 461 P HA -0.105 nan 4.420 nan 0.000 0.223 461 P C 1.274 178.597 177.300 0.037 0.000 1.151 461 P CA 0.700 63.827 63.100 0.044 0.000 0.787 461 P CB 0.138 31.857 31.700 0.032 0.000 0.788 462 S N -0.824 114.896 115.700 0.033 0.000 2.481 462 S HA -0.035 4.457 4.470 0.037 0.000 0.231 462 S C 1.622 176.221 174.600 -0.002 0.000 0.996 462 S CA 0.622 58.828 58.200 0.011 0.000 0.942 462 S CB -1.349 61.855 63.200 0.007 0.000 0.768 462 S HN 0.110 nan 8.310 nan 0.000 0.520 463 L N 1.200 122.438 121.223 0.026 0.000 2.599 463 L HA 0.199 4.561 4.340 0.037 0.000 0.230 463 L C 0.170 176.991 176.870 -0.082 0.000 1.141 463 L CA -0.118 54.720 54.840 -0.003 0.000 0.877 463 L CB -0.766 41.355 42.059 0.104 0.000 1.009 463 L HN 0.284 nan 8.230 nan 0.000 0.447 464 N N -0.700 117.987 118.700 -0.022 0.000 2.740 464 N HA -0.237 4.525 4.740 0.037 0.000 0.248 464 N C -0.513 174.949 175.510 -0.081 0.000 1.062 464 N CA 0.871 53.889 53.050 -0.052 0.000 0.704 464 N CB -1.600 36.830 38.487 -0.095 0.000 0.968 464 N HN 0.342 nan 8.380 nan 0.000 0.547 465 Y N 0.544 120.827 120.300 -0.028 0.000 2.300 465 Y HA 0.195 4.766 4.550 0.036 0.000 0.328 465 Y C 1.902 177.822 175.900 0.034 0.000 1.270 465 Y CA -0.139 57.970 58.100 0.015 0.000 1.352 465 Y CB 0.553 39.016 38.460 0.004 0.000 1.286 465 Y HN 0.073 nan 8.280 nan 0.000 0.536 466 T N -2.610 112.088 114.554 0.240 0.000 2.813 466 T HA 0.048 4.420 4.350 0.037 0.000 0.297 466 T C 1.087 175.866 174.700 0.132 0.000 1.036 466 T CA -0.294 61.895 62.100 0.150 0.000 1.044 466 T CB 0.937 69.886 68.868 0.134 0.000 0.993 466 T HN 0.746 nan 8.240 nan 0.000 0.535 467 T N 1.579 116.182 114.554 0.081 0.000 2.684 467 T HA -0.121 4.251 4.350 0.037 0.000 0.267 467 T C 1.788 176.522 174.700 0.057 0.000 1.036 467 T CA 1.922 64.056 62.100 0.057 0.000 1.148 467 T CB -0.512 68.377 68.868 0.036 0.000 0.863 467 T HN 0.767 nan 8.240 nan 0.000 0.436 468 E N 1.239 121.470 120.200 0.052 0.000 2.065 468 E HA -0.168 4.204 4.350 0.037 0.000 0.201 468 E C 2.271 178.909 176.600 0.062 0.000 1.016 468 E CA 1.492 57.907 56.400 0.025 0.000 0.818 468 E CB -0.258 29.439 29.700 -0.006 0.000 0.749 468 E HN 0.607 nan 8.360 nan 0.000 0.453 469 E N -0.113 120.171 120.200 0.140 0.000 2.153 469 E HA -0.178 4.194 4.350 0.037 0.000 0.194 469 E C 2.162 178.886 176.600 0.207 0.000 0.988 469 E CA 0.609 57.181 56.400 0.286 0.000 0.811 469 E CB -0.090 29.922 29.700 0.520 0.000 0.746 469 E HN 0.103 nan 8.360 nan 0.000 0.466 470 R N 1.009 121.564 120.500 0.092 0.000 2.096 470 R HA -0.119 4.243 4.340 0.037 0.000 0.235 470 R C 2.119 178.422 176.300 0.005 0.000 1.127 470 R CA 1.057 57.156 56.100 -0.003 0.000 0.968 470 R CB -0.102 30.194 30.300 -0.006 0.000 0.861 470 R HN 0.199 nan 8.270 nan 0.000 0.440 471 I N 0.211 120.807 120.570 0.044 0.000 2.406 471 I HA -0.212 3.980 4.170 0.037 0.000 0.249 471 I C 2.131 178.288 176.117 0.067 0.000 1.122 471 I CA 0.541 61.860 61.300 0.032 0.000 1.431 471 I CB -0.291 37.726 38.000 0.028 0.000 1.087 471 I HN 0.136 nan 8.210 nan 0.000 0.424 472 F N 2.283 122.182 119.950 -0.084 0.000 2.113 472 F HA -0.163 4.387 4.527 0.038 0.000 0.297 472 F C 2.488 178.256 175.800 -0.054 0.000 1.103 472 F CA 1.269 59.202 58.000 -0.113 0.000 1.248 472 F CB -0.670 38.194 39.000 -0.227 0.000 0.999 472 F HN -0.004 nan 8.300 nan 0.000 0.475 473 A N 0.026 122.776 122.820 -0.116 0.000 1.940 473 A HA -0.267 4.075 4.320 0.037 0.000 0.219 473 A C 2.194 179.644 177.584 -0.223 0.000 1.176 473 A CA 1.995 53.904 52.037 -0.214 0.000 0.631 473 A CB -0.948 17.938 19.000 -0.190 0.000 0.814 473 A HN 0.622 nan 8.150 nan 0.000 0.446 474 Q N -1.184 118.528 119.800 -0.146 0.000 2.119 474 Q HA -0.114 4.248 4.340 0.037 0.000 0.201 474 Q C 2.392 178.290 176.000 -0.169 0.000 0.972 474 Q CA 1.221 56.946 55.803 -0.129 0.000 0.847 474 Q CB -0.116 28.576 28.738 -0.077 0.000 0.903 474 Q HN 0.629 nan 8.270 nan 0.000 0.433 475 R N 0.171 120.558 120.500 -0.190 0.000 2.081 475 R HA -0.121 4.241 4.340 0.037 0.000 0.235 475 R C 2.215 178.226 176.300 -0.483 0.000 1.131 475 R CA 1.111 57.019 56.100 -0.320 0.000 0.960 475 R CB -0.161 30.023 30.300 -0.193 0.000 0.856 475 R HN 0.246 nan 8.270 nan 0.000 0.436 476 L N -0.183 120.837 121.223 -0.339 0.000 2.056 476 L HA -0.157 4.205 4.340 0.037 0.000 0.207 476 L C 2.449 179.247 176.870 -0.121 0.000 1.078 476 L CA 1.242 55.951 54.840 -0.219 0.000 0.749 476 L CB -0.250 41.554 42.059 -0.425 0.000 0.901 476 L HN 0.248 nan 8.230 nan 0.000 0.433 477 M N -0.893 118.591 119.600 -0.192 0.000 2.213 477 M HA -0.187 4.315 4.480 0.037 0.000 0.263 477 M C 2.226 178.523 176.300 -0.004 0.000 1.062 477 M CA 1.424 56.653 55.300 -0.117 0.000 1.105 477 M CB -0.264 32.253 32.600 -0.138 0.000 1.385 477 M HN 0.053 nan 8.290 nan 0.000 0.417 478 K N -0.170 120.195 120.400 -0.058 0.000 2.057 478 K HA -0.118 4.224 4.320 0.037 0.000 0.206 478 K C 1.886 178.563 176.600 0.128 0.000 1.050 478 K CA 1.571 57.844 56.287 -0.022 0.000 0.935 478 K CB -0.269 32.159 32.500 -0.120 0.000 0.715 478 K HN 0.314 nan 8.250 nan 0.000 0.439 479 Y N -0.193 120.251 120.300 0.240 0.000 2.114 479 Y HA -0.214 4.358 4.550 0.036 0.000 0.284 479 Y C 2.461 178.526 175.900 0.276 0.000 1.143 479 Y CA 0.701 58.982 58.100 0.302 0.000 1.135 479 Y CB -0.960 37.828 38.460 0.547 0.000 0.980 479 Y HN 0.196 nan 8.280 nan 0.000 0.499 480 W N 0.649 122.042 121.300 0.156 0.000 2.335 480 W HA -0.250 4.431 4.660 0.036 0.000 0.311 480 W C 2.444 178.982 176.519 0.031 0.000 1.213 480 W CA 2.223 59.599 57.345 0.051 0.000 1.274 480 W CB -0.672 28.735 29.460 -0.088 0.000 1.148 480 W HN 0.238 nan 8.180 nan 0.000 0.498 481 T N -2.460 112.217 114.554 0.204 0.000 2.942 481 T HA -0.102 4.270 4.350 0.037 0.000 0.265 481 T C 1.402 176.134 174.700 0.053 0.000 1.062 481 T CA 0.983 63.127 62.100 0.072 0.000 1.139 481 T CB -0.609 68.278 68.868 0.031 0.000 0.883 481 T HN -0.068 nan 8.240 nan 0.000 0.468 482 N N 0.875 119.631 118.700 0.092 0.000 2.223 482 N HA -0.005 4.757 4.740 0.037 0.000 0.185 482 N C 1.313 176.832 175.510 0.015 0.000 1.016 482 N CA 0.852 53.936 53.050 0.057 0.000 0.863 482 N CB -0.537 38.010 38.487 0.100 0.000 0.983 482 N HN 0.482 nan 8.380 nan 0.000 0.429 483 F N 1.441 121.323 119.950 -0.113 0.000 2.163 483 F HA 0.069 4.618 4.527 0.038 0.000 0.297 483 F C 2.146 177.872 175.800 -0.124 0.000 1.094 483 F CA 1.044 58.923 58.000 -0.202 0.000 1.290 483 F CB -0.406 38.385 39.000 -0.349 0.000 1.017 483 F HN 0.002 nan 8.300 nan 0.000 0.483 484 A N 0.432 123.137 122.820 -0.192 0.000 1.930 484 A HA -0.164 4.178 4.320 0.037 0.000 0.217 484 A C 2.377 179.831 177.584 -0.217 0.000 1.175 484 A CA 1.609 53.510 52.037 -0.227 0.000 0.627 484 A CB -0.784 18.169 19.000 -0.079 0.000 0.815 484 A HN 0.445 nan 8.150 nan 0.000 0.443 485 R N -0.904 119.508 120.500 -0.148 0.000 2.090 485 R HA -0.097 4.265 4.340 0.037 0.000 0.228 485 R C 1.884 178.100 176.300 -0.141 0.000 1.110 485 R CA 1.992 58.026 56.100 -0.111 0.000 0.973 485 R CB -0.037 30.229 30.300 -0.058 0.000 0.869 485 R HN 0.671 nan 8.270 nan 0.000 0.440 486 T N -6.317 108.127 114.554 -0.183 0.000 2.993 486 T HA 0.239 4.611 4.350 0.037 0.000 0.260 486 T C 0.984 175.566 174.700 -0.197 0.000 0.939 486 T CA 0.419 62.431 62.100 -0.146 0.000 0.886 486 T CB 1.214 70.037 68.868 -0.075 0.000 1.209 486 T HN 0.296 nan 8.240 nan 0.000 0.518 487 G N 1.247 109.799 108.800 -0.413 0.000 2.132 487 G HA2 -0.129 3.853 3.960 0.037 0.000 0.234 487 G HA3 -0.129 3.853 3.960 0.037 0.000 0.234 487 G C -0.400 174.474 174.900 -0.042 0.000 0.989 487 G CA 0.165 44.971 45.100 -0.491 0.000 0.676 487 G HN 0.815 nan 8.290 nan 0.000 0.522 488 D N -0.673 119.691 120.400 -0.061 0.000 2.616 488 D HA 0.425 5.087 4.640 0.037 0.000 0.238 488 D C -1.707 174.459 176.300 -0.223 0.000 1.354 488 D CA -1.457 52.447 54.000 -0.160 0.000 0.970 488 D CB 2.025 42.810 40.800 -0.024 0.000 1.369 488 D HN -0.010 nan 8.370 nan 0.000 0.585 489 P HA 0.008 nan 4.420 nan 0.000 0.245 489 P C -0.057 177.263 177.300 0.033 0.000 1.212 489 P CA -0.024 62.913 63.100 -0.272 0.000 0.774 489 P CB 0.360 31.582 31.700 -0.797 0.000 0.999 490 N N 1.527 120.210 118.700 -0.028 0.000 2.530 490 N HA 0.039 4.801 4.740 0.037 0.000 0.273 490 N C -0.249 175.339 175.510 0.131 0.000 1.173 490 N CA 0.207 53.337 53.050 0.133 0.000 0.967 490 N CB 0.421 38.976 38.487 0.113 0.000 1.109 490 N HN -0.034 nan 8.380 nan 0.000 0.453 491 D N 1.807 122.307 120.400 0.167 0.000 2.352 491 D HA 0.126 4.788 4.640 0.037 0.000 0.245 491 D C -1.352 174.998 176.300 0.084 0.000 1.224 491 D CA -1.594 52.474 54.000 0.115 0.000 0.879 491 D CB 0.891 41.758 40.800 0.112 0.000 1.057 491 D HN 0.297 nan 8.370 nan 0.000 0.491 492 P HA -0.060 nan 4.420 nan 0.000 0.237 492 P C 1.093 178.419 177.300 0.044 0.000 1.178 492 P CA 0.577 63.708 63.100 0.051 0.000 0.766 492 P CB 0.253 31.974 31.700 0.037 0.000 0.876 493 R N 0.889 121.415 120.500 0.044 0.000 2.048 493 R HA -0.005 4.357 4.340 0.037 0.000 0.221 493 R C 1.059 177.384 176.300 0.042 0.000 1.174 493 R CA 1.127 57.249 56.100 0.037 0.000 0.971 493 R CB -1.932 28.387 30.300 0.031 0.000 0.863 493 R HN 0.244 nan 8.270 nan 0.000 0.439 494 D N 0.369 120.799 120.400 0.049 0.000 2.502 494 D HA 0.236 4.898 4.640 0.037 0.000 0.249 494 D C 0.545 176.880 176.300 0.059 0.000 1.188 494 D CA 0.969 55.002 54.000 0.054 0.000 0.890 494 D CB 0.677 41.516 40.800 0.064 0.000 1.140 494 D HN 0.526 nan 8.370 nan 0.000 0.505 495 S N 2.814 118.544 115.700 0.050 0.000 2.574 495 S HA 0.407 4.899 4.470 0.037 0.000 0.242 495 S C 0.960 175.590 174.600 0.049 0.000 0.982 495 S CA -0.203 58.026 58.200 0.049 0.000 0.977 495 S CB -0.123 63.100 63.200 0.039 0.000 0.814 495 S HN 0.588 nan 8.310 nan 0.000 0.464 496 K N 0.835 121.268 120.400 0.055 0.000 3.206 496 K HA 0.759 5.101 4.320 0.037 0.000 0.180 496 K C 0.501 177.136 176.600 0.059 0.000 1.088 496 K CA 0.054 56.371 56.287 0.050 0.000 0.872 496 K CB -1.011 31.513 32.500 0.041 0.000 0.976 496 K HN 0.482 nan 8.250 nan 0.000 0.564 497 S N 0.818 116.559 115.700 0.068 0.000 3.085 497 S HA -0.140 4.352 4.470 0.037 0.000 0.635 497 S C -2.344 172.311 174.600 0.092 0.000 2.922 497 S CA 0.634 58.880 58.200 0.077 0.000 3.129 497 S CB -0.979 62.255 63.200 0.058 0.000 0.332 497 S HN 0.728 nan 8.310 nan 0.000 1.789 498 P HA 0.356 nan 4.420 nan 0.000 0.286 498 P C -0.784 176.582 177.300 0.110 0.000 1.269 498 P CA -0.383 62.762 63.100 0.075 0.000 0.787 498 P CB 0.466 32.192 31.700 0.044 0.000 0.920 499 Q N 1.469 121.342 119.800 0.123 0.000 2.332 499 Q HA 0.058 4.420 4.340 0.037 0.000 0.263 499 Q C -0.332 175.811 176.000 0.238 0.000 0.979 499 Q CA 0.204 56.115 55.803 0.179 0.000 0.885 499 Q CB 0.647 29.481 28.738 0.161 0.000 1.218 499 Q HN 0.547 nan 8.270 nan 0.000 0.405 500 W N 5.909 127.251 121.300 0.070 0.000 2.419 500 W HA 0.242 4.925 4.660 0.039 0.000 0.312 500 W C -2.448 174.192 176.519 0.201 0.000 1.323 500 W CA -2.147 55.247 57.345 0.083 0.000 1.293 500 W CB 0.156 29.600 29.460 -0.025 0.000 1.324 500 W HN 0.419 nan 8.180 nan 0.000 0.512 501 P HA 0.364 nan 4.420 nan 0.000 0.285 501 P C -2.601 174.915 177.300 0.360 0.000 1.269 501 P CA -1.876 61.463 63.100 0.398 0.000 0.844 501 P CB 0.797 32.635 31.700 0.229 0.000 1.094 502 P HA 0.045 nan 4.420 nan 0.000 0.268 502 P C -0.882 176.408 177.300 -0.016 0.000 1.205 502 P CA 0.049 62.972 63.100 -0.294 0.000 0.771 502 P CB 0.069 31.574 31.700 -0.324 0.000 0.858 503 Y N 3.158 123.401 120.300 -0.095 0.000 2.377 503 Y HA 0.352 4.924 4.550 0.036 0.000 0.330 503 Y C 0.372 176.265 175.900 -0.012 0.000 1.108 503 Y CA 0.554 58.670 58.100 0.027 0.000 1.308 503 Y CB 0.272 38.768 38.460 0.060 0.000 1.216 503 Y HN 0.414 nan 8.280 nan 0.000 0.518 504 T N 0.343 114.610 114.554 -0.478 0.000 2.901 504 T HA 0.278 4.650 4.350 0.037 0.000 0.293 504 T C 0.905 175.366 174.700 -0.398 0.000 1.084 504 T CA -0.190 61.747 62.100 -0.272 0.000 1.008 504 T CB 1.252 70.037 68.868 -0.138 0.000 1.170 504 T HN 0.663 nan 8.240 nan 0.000 0.509 505 T N -0.316 114.158 114.554 -0.134 0.000 2.737 505 T HA -0.013 4.359 4.350 0.037 0.000 0.265 505 T C 2.333 176.984 174.700 -0.083 0.000 1.038 505 T CA 1.137 63.198 62.100 -0.065 0.000 1.144 505 T CB -1.068 67.815 68.868 0.024 0.000 0.866 505 T HN 0.920 nan 8.240 nan 0.000 0.434 506 A N 2.306 125.084 122.820 -0.069 0.000 1.849 506 A HA 0.197 4.539 4.320 0.037 0.000 0.217 506 A C 2.779 180.324 177.584 -0.066 0.000 1.202 506 A CA 2.551 54.558 52.037 -0.049 0.000 0.629 506 A CB -1.453 17.526 19.000 -0.035 0.000 0.834 506 A HN 0.859 nan 8.150 nan 0.000 0.447 507 A N -3.157 119.600 122.820 -0.105 0.000 2.044 507 A HA 0.273 4.615 4.320 0.037 0.000 0.213 507 A C 1.144 178.655 177.584 -0.121 0.000 1.169 507 A CA 1.106 53.092 52.037 -0.085 0.000 0.724 507 A CB -0.164 18.799 19.000 -0.061 0.000 0.840 507 A HN 0.591 nan 8.150 nan 0.000 0.463 508 Q N -0.701 118.906 119.800 -0.321 0.000 2.480 508 Q HA -0.218 4.144 4.340 0.037 0.000 0.265 508 Q C -0.539 175.434 176.000 -0.046 0.000 1.072 508 Q CA 0.794 56.329 55.803 -0.447 0.000 1.018 508 Q CB -1.660 27.032 28.738 -0.076 0.000 1.433 508 Q HN 0.841 nan 8.270 nan 0.000 0.513 509 Q N 0.349 120.127 119.800 -0.036 0.000 2.311 509 Q HA 0.322 4.684 4.340 0.037 0.000 0.272 509 Q C -0.287 175.972 176.000 0.431 0.000 1.012 509 Q CA 0.469 56.367 55.803 0.158 0.000 0.891 509 Q CB 0.378 29.168 28.738 0.088 0.000 1.201 509 Q HN 0.342 nan 8.270 nan 0.000 0.391 510 Y N -1.141 119.295 120.300 0.226 0.000 2.728 510 Y HA 0.754 5.325 4.550 0.035 0.000 0.330 510 Y C -1.164 174.775 175.900 0.065 0.000 1.234 510 Y CA -1.531 56.726 58.100 0.261 0.000 1.070 510 Y CB 0.640 39.268 38.460 0.280 0.000 1.300 510 Y HN 0.306 nan 8.280 nan 0.000 0.467 511 V N -0.591 119.292 119.914 -0.051 0.000 2.876 511 V HA 0.783 4.925 4.120 0.037 0.000 0.312 511 V C -0.413 175.614 176.094 -0.112 0.000 1.085 511 V CA -0.610 61.485 62.300 -0.342 0.000 0.945 511 V CB 1.256 32.598 31.823 -0.801 0.000 1.017 511 V HN 1.240 nan 8.190 nan 0.000 0.428 512 S N 4.602 120.224 115.700 -0.129 0.000 2.505 512 S HA 0.660 5.152 4.470 0.037 0.000 0.276 512 S C -0.380 174.199 174.600 -0.035 0.000 1.274 512 S CA -0.561 57.634 58.200 -0.007 0.000 1.053 512 S CB 0.412 63.588 63.200 -0.040 0.000 0.919 512 S HN 0.791 nan 8.310 nan 0.000 0.490 513 L N 4.240 125.497 121.223 0.056 0.000 2.277 513 L HA 0.510 4.872 4.340 0.037 0.000 0.284 513 L C -0.225 176.557 176.870 -0.146 0.000 1.028 513 L CA -0.428 54.460 54.840 0.079 0.000 0.835 513 L CB 0.188 42.411 42.059 0.273 0.000 1.215 513 L HN 0.945 nan 8.230 nan 0.000 0.425 514 N N 2.185 120.722 118.700 -0.270 0.000 3.344 514 N HA 0.340 5.102 4.740 0.037 0.000 0.296 514 N C 0.202 175.135 175.510 -0.963 0.000 1.571 514 N CA -0.961 51.674 53.050 -0.691 0.000 0.844 514 N CB 0.643 38.909 38.487 -0.368 0.000 1.718 514 N HN 0.179 nan 8.380 nan 0.000 0.589 515 L N -0.784 119.881 121.223 -0.930 0.000 2.141 515 L HA 0.056 4.418 4.340 0.037 0.000 0.209 515 L C 0.544 177.209 176.870 -0.342 0.000 1.094 515 L CA 1.029 55.435 54.840 -0.723 0.000 0.763 515 L CB -0.489 41.252 42.059 -0.531 0.000 0.908 515 L HN 0.411 nan 8.230 nan 0.000 0.437 516 K N 0.251 120.502 120.400 -0.249 0.000 2.219 516 K HA 0.189 4.531 4.320 0.037 0.000 0.258 516 K C -2.196 174.347 176.600 -0.095 0.000 1.008 516 K CA -1.753 54.453 56.287 -0.136 0.000 0.928 516 K CB -0.109 32.326 32.500 -0.108 0.000 0.983 516 K HN -0.179 nan 8.250 nan 0.000 0.484 517 P HA -0.031 nan 4.420 nan 0.000 0.269 517 P C -0.412 176.880 177.300 -0.014 0.000 1.215 517 P CA -0.181 62.917 63.100 -0.003 0.000 0.780 517 P CB 0.378 32.081 31.700 0.005 0.000 0.898 518 L N 1.449 122.680 121.223 0.013 0.000 2.720 518 L HA -0.135 4.227 4.340 0.037 0.000 0.289 518 L C 1.137 177.961 176.870 -0.078 0.000 1.232 518 L CA 0.945 55.750 54.840 -0.058 0.000 0.915 518 L CB -0.339 41.674 42.059 -0.075 0.000 1.184 518 L HN 0.504 nan 8.230 nan 0.000 0.491 519 E N 3.224 123.354 120.200 -0.116 0.000 2.179 519 E HA 0.384 4.756 4.350 0.037 0.000 0.275 519 E C -1.258 175.235 176.600 -0.178 0.000 0.945 519 E CA -0.814 55.517 56.400 -0.116 0.000 0.792 519 E CB 1.832 31.473 29.700 -0.099 0.000 1.125 519 E HN 0.310 nan 8.360 nan 0.000 0.397 520 V N 5.678 125.501 119.914 -0.153 0.000 2.364 520 V HA 0.349 4.491 4.120 0.037 0.000 0.272 520 V C 0.197 176.151 176.094 -0.234 0.000 1.036 520 V CA -0.311 61.878 62.300 -0.185 0.000 0.880 520 V CB 0.754 32.526 31.823 -0.085 0.000 0.991 520 V HN 0.655 nan 8.190 nan 0.000 0.460 521 R N 4.291 124.519 120.500 -0.454 0.000 2.787 521 R HA 0.750 5.112 4.340 0.037 0.000 0.271 521 R C -0.642 175.450 176.300 -0.347 0.000 0.993 521 R CA -0.983 54.836 56.100 -0.468 0.000 0.993 521 R CB 2.222 32.107 30.300 -0.692 0.000 1.155 521 R HN 0.569 nan 8.270 nan 0.000 0.486 522 R N -0.037 120.441 120.500 -0.036 0.000 2.562 522 R HA 0.458 4.820 4.340 0.037 0.000 0.298 522 R C -0.608 175.878 176.300 0.311 0.000 0.961 522 R CA -0.448 55.736 56.100 0.141 0.000 0.881 522 R CB 2.147 32.487 30.300 0.066 0.000 1.159 522 R HN 0.899 nan 8.270 nan 0.000 0.450 523 G N 2.220 111.235 108.800 0.358 0.000 3.414 523 G HA2 -0.219 3.763 3.960 0.037 0.000 0.504 523 G HA3 -0.219 3.763 3.960 0.037 0.000 0.504 523 G C -1.054 174.028 174.900 0.303 0.000 0.936 523 G CA -0.769 44.501 45.100 0.284 0.000 0.748 523 G HN 0.415 nan 8.290 nan 0.000 0.408 524 L N 4.156 125.456 121.223 0.128 0.000 2.315 524 L HA 0.600 4.962 4.340 0.037 0.000 0.278 524 L C 1.470 178.350 176.870 0.016 0.000 1.088 524 L CA -0.352 54.401 54.840 -0.144 0.000 0.899 524 L CB -0.170 41.684 42.059 -0.343 0.000 1.277 524 L HN 0.706 nan 8.230 nan 0.000 0.431 525 R N 3.028 123.580 120.500 0.085 0.000 3.333 525 R HA -0.283 4.079 4.340 0.037 0.000 0.256 525 R C 1.247 177.639 176.300 0.154 0.000 1.010 525 R CA 0.588 56.771 56.100 0.138 0.000 0.680 525 R CB -2.040 28.352 30.300 0.153 0.000 1.102 525 R HN 0.806 nan 8.270 nan 0.000 0.440 526 A N 0.755 123.662 122.820 0.145 0.000 1.865 526 A HA -0.249 4.093 4.320 0.037 0.000 0.217 526 A C 2.083 179.754 177.584 0.143 0.000 1.191 526 A CA 1.278 53.399 52.037 0.140 0.000 0.623 526 A CB -0.118 18.959 19.000 0.129 0.000 0.826 526 A HN 0.418 nan 8.150 nan 0.000 0.444 527 Q N -0.684 119.199 119.800 0.139 0.000 2.046 527 Q HA -0.112 4.250 4.340 0.037 0.000 0.200 527 Q C 2.262 178.371 176.000 0.182 0.000 0.975 527 Q CA 2.059 57.946 55.803 0.140 0.000 0.836 527 Q CB -1.217 27.591 28.738 0.116 0.000 0.896 527 Q HN 0.652 nan 8.270 nan 0.000 0.428 528 T N 0.730 115.412 114.554 0.214 0.000 2.746 528 T HA -0.125 4.247 4.350 0.037 0.000 0.267 528 T C 2.021 176.921 174.700 0.334 0.000 1.039 528 T CA 1.260 63.515 62.100 0.258 0.000 1.142 528 T CB -0.259 68.804 68.868 0.324 0.000 0.866 528 T HN 0.329 nan 8.240 nan 0.000 0.444 529 c N 1.515 120.304 118.600 0.315 0.000 2.448 529 c HA 0.293 4.885 4.570 0.037 0.000 0.280 529 c C 3.097 177.342 174.090 0.259 0.000 1.398 529 c CA -0.120 56.408 56.329 0.332 0.000 1.774 529 c CB -1.427 41.217 42.510 0.223 0.000 1.888 529 c HN 0.633 nan 8.230 nan 0.000 0.519 530 A N 0.336 123.276 122.820 0.200 0.000 1.933 530 A HA -0.172 4.170 4.320 0.037 0.000 0.218 530 A C 1.859 179.535 177.584 0.153 0.000 1.175 530 A CA 1.450 53.580 52.037 0.156 0.000 0.628 530 A CB -0.790 18.287 19.000 0.129 0.000 0.814 530 A HN 0.520 nan 8.150 nan 0.000 0.444 531 F N -0.836 119.094 119.950 -0.033 0.000 2.065 531 F HA -0.223 4.328 4.527 0.040 0.000 0.298 531 F C 1.992 177.731 175.800 -0.101 0.000 1.112 531 F CA 1.962 59.850 58.000 -0.187 0.000 1.212 531 F CB -0.520 38.092 39.000 -0.647 0.000 0.975 531 F HN 0.399 nan 8.300 nan 0.000 0.476 532 W N 0.118 121.441 121.300 0.038 0.000 2.436 532 W HA -0.094 4.587 4.660 0.035 0.000 0.284 532 W C 2.002 178.496 176.519 -0.043 0.000 1.225 532 W CA 0.754 58.087 57.345 -0.019 0.000 1.271 532 W CB -0.220 29.329 29.460 0.148 0.000 1.114 532 W HN -0.030 nan 8.180 nan 0.000 0.559 533 N N -0.867 117.965 118.700 0.221 0.000 2.414 533 N HA 0.086 4.848 4.740 0.037 0.000 0.177 533 N C 1.389 176.938 175.510 0.065 0.000 1.062 533 N CA 0.678 53.807 53.050 0.132 0.000 0.890 533 N CB 0.019 38.580 38.487 0.124 0.000 1.070 533 N HN 0.159 nan 8.380 nan 0.000 0.454 534 R N -0.990 119.545 120.500 0.058 0.000 2.144 534 R HA 0.262 4.624 4.340 0.037 0.000 0.195 534 R C 1.542 177.853 176.300 0.019 0.000 1.077 534 R CA 0.001 56.128 56.100 0.045 0.000 1.120 534 R CB -0.408 29.939 30.300 0.078 0.000 1.060 534 R HN -0.013 nan 8.270 nan 0.000 0.520 535 F N 1.512 121.369 119.950 -0.156 0.000 2.060 535 F HA -0.098 4.452 4.527 0.038 0.000 0.295 535 F C 1.870 177.504 175.800 -0.276 0.000 1.120 535 F CA 1.180 59.051 58.000 -0.215 0.000 1.205 535 F CB -0.334 38.496 39.000 -0.283 0.000 0.986 535 F HN -0.084 nan 8.300 nan 0.000 0.470 536 L N 1.124 122.085 121.223 -0.437 0.000 2.046 536 L HA -0.064 4.298 4.340 0.037 0.000 0.208 536 L C -0.693 175.973 176.870 -0.340 0.000 1.077 536 L CA 1.940 56.469 54.840 -0.519 0.000 0.747 536 L CB -2.193 39.558 42.059 -0.513 0.000 0.896 536 L HN -0.003 nan 8.230 nan 0.000 0.432 537 P HA -0.232 nan 4.420 nan 0.000 0.216 537 P C 1.446 178.620 177.300 -0.210 0.000 1.154 537 P CA 1.716 64.726 63.100 -0.149 0.000 0.865 537 P CB -0.031 31.616 31.700 -0.089 0.000 0.789 538 K N -1.450 118.773 120.400 -0.296 0.000 2.360 538 K HA -0.083 4.259 4.320 0.037 0.000 0.201 538 K C 0.330 176.710 176.600 -0.366 0.000 1.046 538 K CA 0.510 56.610 56.287 -0.313 0.000 0.945 538 K CB -0.481 31.824 32.500 -0.325 0.000 0.750 538 K HN 0.042 nan 8.250 nan 0.000 0.464 539 L N 2.141 123.090 121.223 -0.456 0.000 2.399 539 L HA 0.062 4.424 4.340 0.037 0.000 0.257 539 L C 0.443 177.198 176.870 -0.192 0.000 1.236 539 L CA 0.440 55.089 54.840 -0.318 0.000 1.144 539 L CB -0.170 41.686 42.059 -0.338 0.000 1.379 539 L HN 0.046 nan 8.230 nan 0.000 0.414 540 L N -0.175 120.960 121.223 -0.148 0.000 2.187 540 L HA 0.737 5.099 4.340 0.037 0.000 0.197 540 L C 1.125 177.950 176.870 -0.075 0.000 1.090 540 L CA 1.000 55.780 54.840 -0.099 0.000 0.781 540 L CB -1.215 40.792 42.059 -0.086 0.000 0.956 540 L HN 0.372 nan 8.230 nan 0.000 0.463 541 S N 0.000 115.659 115.700 -0.068 0.000 2.498 541 S HA 0.000 4.492 4.470 0.037 0.000 0.327 541 S CA 0.000 nan 58.200 nan 0.000 1.107 541 S CB 0.000 nan 63.200 nan 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517