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 2jf0_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 PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A 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 0.000 176.623 176.600 0.038 0.000 1.382 4 E CA 0.000 56.417 56.400 0.028 0.000 0.976 4 E CB 0.000 29.716 29.700 0.027 0.000 0.812 5 D N 4.402 124.831 120.400 0.049 0.000 2.389 5 D HA 0.052 4.719 4.640 0.046 0.000 0.263 5 D C -1.506 174.832 176.300 0.062 0.000 1.255 5 D CA -1.697 52.347 54.000 0.073 0.000 0.914 5 D CB 1.385 42.255 40.800 0.117 0.000 1.116 5 D HN 0.248 nan 8.370 nan 0.000 0.502 6 P HA -0.092 nan 4.420 nan 0.000 0.223 6 P C 1.181 178.487 177.300 0.009 0.000 1.151 6 P CA 0.606 63.718 63.100 0.021 0.000 0.787 6 P CB 0.342 32.044 31.700 0.004 0.000 0.788 7 Q N -0.659 119.127 119.800 -0.025 0.000 2.224 7 Q HA 0.020 4.387 4.340 0.046 0.000 0.203 7 Q C 1.699 177.751 176.000 0.087 0.000 0.970 7 Q CA 0.996 56.743 55.803 -0.093 0.000 0.865 7 Q CB -0.373 28.089 28.738 -0.461 0.000 0.922 7 Q HN 0.386 nan 8.270 nan 0.000 0.445 8 L N 0.079 121.376 121.223 0.123 0.000 2.611 8 L HA 0.196 4.563 4.340 0.046 0.000 0.229 8 L C 0.407 177.462 176.870 0.308 0.000 1.137 8 L CA -0.082 54.857 54.840 0.166 0.000 0.901 8 L CB 0.188 42.267 42.059 0.034 0.000 1.098 8 L HN -0.025 nan 8.230 nan 0.000 0.456 9 L N 1.078 122.427 121.223 0.211 0.000 2.280 9 L HA 0.474 4.841 4.340 0.046 0.000 0.287 9 L C -0.826 176.074 176.870 0.051 0.000 1.023 9 L CA -0.431 54.499 54.840 0.151 0.000 0.819 9 L CB 1.981 44.085 42.059 0.075 0.000 1.212 9 L HN -0.189 nan 8.230 nan 0.000 0.420 10 V N 3.691 123.595 119.914 -0.017 0.000 2.588 10 V HA 0.424 4.571 4.120 0.046 0.000 0.304 10 V C -0.151 175.851 176.094 -0.154 0.000 1.042 10 V CA -0.825 61.300 62.300 -0.292 0.000 0.877 10 V CB 2.062 33.328 31.823 -0.928 0.000 0.996 10 V HN 0.682 nan 8.190 nan 0.000 0.425 11 R N 3.745 124.146 120.500 -0.166 0.000 2.196 11 R HA 0.632 4.999 4.340 0.046 0.000 0.340 11 R C -0.494 175.717 176.300 -0.148 0.000 1.043 11 R CA -0.296 55.742 56.100 -0.103 0.000 0.883 11 R CB 1.049 31.292 30.300 -0.095 0.000 1.078 11 R HN 0.731 nan 8.270 nan 0.000 0.462 12 V N 2.030 121.913 119.914 -0.051 0.000 3.096 12 V HA 0.436 4.584 4.120 0.046 0.000 0.319 12 V C 1.440 177.467 176.094 -0.111 0.000 1.082 12 V CA -0.921 61.352 62.300 -0.045 0.000 1.022 12 V CB 1.639 33.593 31.823 0.218 0.000 1.103 12 V HN 0.873 nan 8.190 nan 0.000 0.455 13 R N 1.579 121.995 120.500 -0.140 0.000 2.133 13 R HA -0.115 4.252 4.340 0.046 0.000 0.247 13 R C 1.849 178.012 176.300 -0.228 0.000 1.151 13 R CA 2.331 58.339 56.100 -0.155 0.000 0.971 13 R CB -0.863 29.360 30.300 -0.129 0.000 0.866 13 R HN 1.053 nan 8.270 nan 0.000 0.447 14 G N -1.898 106.710 108.800 -0.319 0.000 2.985 14 G HA2 0.405 4.392 3.960 0.046 0.000 0.209 14 G HA3 0.405 4.392 3.960 0.046 0.000 0.209 14 G C 0.220 174.182 174.900 -1.564 0.000 1.165 14 G CA 0.321 44.978 45.100 -0.739 0.000 0.776 14 G HN 0.682 nan 8.290 nan 0.000 0.541 15 G N -0.922 107.273 108.800 -1.009 0.000 2.293 15 G HA2 0.046 4.033 3.960 0.046 0.000 0.282 15 G HA3 0.046 4.033 3.960 0.046 0.000 0.282 15 G C -1.117 173.716 174.900 -0.112 0.000 1.299 15 G CA -0.944 43.668 45.100 -0.814 0.000 1.018 15 G HN 0.304 nan 8.290 nan 0.000 0.478 16 Q N -0.533 119.392 119.800 0.209 0.000 2.235 16 Q HA 0.723 5.090 4.340 0.046 0.000 0.250 16 Q C -0.456 175.860 176.000 0.527 0.000 0.909 16 Q CA -0.377 55.611 55.803 0.308 0.000 0.910 16 Q CB 1.685 30.534 28.738 0.185 0.000 1.223 16 Q HN 0.463 nan 8.270 nan 0.000 0.432 17 L N 1.564 123.000 121.223 0.355 0.000 2.370 17 L HA 0.599 4.967 4.340 0.046 0.000 0.266 17 L C -0.467 176.579 176.870 0.293 0.000 1.002 17 L CA -0.748 54.295 54.840 0.339 0.000 0.818 17 L CB 2.103 44.408 42.059 0.409 0.000 1.325 17 L HN 0.417 nan 8.230 nan 0.000 0.418 18 R N 0.994 121.638 120.500 0.240 0.000 2.288 18 R HA 0.537 4.904 4.340 0.046 0.000 0.326 18 R C -0.091 176.298 176.300 0.148 0.000 0.959 18 R CA -0.357 55.860 56.100 0.194 0.000 0.834 18 R CB 1.490 31.844 30.300 0.090 0.000 1.157 18 R HN 0.850 nan 8.270 nan 0.000 0.470 19 G N 3.407 112.266 108.800 0.098 0.000 2.621 19 G HA2 0.272 4.260 3.960 0.046 0.000 0.271 19 G HA3 0.272 4.260 3.960 0.046 0.000 0.271 19 G C -0.573 174.126 174.900 -0.334 0.000 1.236 19 G CA -0.633 44.189 45.100 -0.463 0.000 0.958 19 G HN 0.611 nan 8.290 nan 0.000 0.512 20 I N -0.910 119.424 120.570 -0.393 0.000 2.530 20 I HA 0.489 4.686 4.170 0.046 0.000 0.297 20 I C 0.197 176.177 176.117 -0.227 0.000 1.011 20 I CA -1.160 59.992 61.300 -0.247 0.000 1.107 20 I CB 1.777 39.641 38.000 -0.226 0.000 1.285 20 I HN 0.384 nan 8.210 nan 0.000 0.436 21 R N 7.271 127.692 120.500 -0.132 0.000 2.296 21 R HA 0.448 4.815 4.340 0.046 0.000 0.323 21 R C -1.427 174.790 176.300 -0.138 0.000 1.067 21 R CA -0.241 55.789 56.100 -0.116 0.000 0.946 21 R CB 0.404 30.613 30.300 -0.150 0.000 0.991 21 R HN 0.602 nan 8.270 nan 0.000 0.448 22 L N 4.494 125.648 121.223 -0.114 0.000 2.331 22 L HA 0.416 4.784 4.340 0.046 0.000 0.275 22 L C -0.372 176.433 176.870 -0.108 0.000 1.022 22 L CA -1.155 53.627 54.840 -0.098 0.000 0.812 22 L CB 1.853 43.882 42.059 -0.050 0.000 1.257 22 L HN 0.540 nan 8.230 nan 0.000 0.435 23 K N 1.685 122.020 120.400 -0.109 0.000 2.227 23 K HA 0.724 5.072 4.320 0.046 0.000 0.280 23 K C -0.705 175.825 176.600 -0.117 0.000 1.041 23 K CA -0.303 55.920 56.287 -0.107 0.000 0.905 23 K CB 1.627 34.073 32.500 -0.090 0.000 1.068 23 K HN 0.516 nan 8.250 nan 0.000 0.470 24 A N 4.104 126.855 122.820 -0.115 0.000 2.337 24 A HA 0.534 4.882 4.320 0.046 0.000 0.331 24 A C -1.832 175.736 177.584 -0.026 0.000 1.137 24 A CA -2.141 49.812 52.037 -0.140 0.000 0.807 24 A CB 0.843 19.735 19.000 -0.181 0.000 1.250 24 A HN 0.660 nan 8.150 nan 0.000 0.468 25 P HA -0.142 nan 4.420 nan 0.000 0.217 25 P C 1.133 178.457 177.300 0.039 0.000 1.148 25 P CA 2.124 65.264 63.100 0.067 0.000 0.834 25 P CB 0.275 32.049 31.700 0.124 0.000 0.783 26 G N -2.313 106.512 108.800 0.042 0.000 3.502 26 G HA2 0.503 4.490 3.960 0.046 0.000 0.267 26 G HA3 0.503 4.490 3.960 0.046 0.000 0.267 26 G C 0.357 175.269 174.900 0.019 0.000 1.090 26 G CA 0.308 45.427 45.100 0.031 0.000 0.795 26 G HN 0.564 nan 8.290 nan 0.000 0.535 27 G N -0.176 108.624 108.800 0.000 0.000 2.368 27 G HA2 0.350 4.337 3.960 0.046 0.000 0.302 27 G HA3 0.350 4.337 3.960 0.046 0.000 0.302 27 G C -3.399 171.471 174.900 -0.049 0.000 1.329 27 G CA -0.805 44.285 45.100 -0.016 0.000 0.935 27 G HN 0.039 nan 8.290 nan 0.000 0.590 28 P HA 0.489 nan 4.420 nan 0.000 0.275 28 P C -0.051 177.244 177.300 -0.009 0.000 1.228 28 P CA -0.157 62.835 63.100 -0.179 0.000 0.786 28 P CB 1.544 32.914 31.700 -0.551 0.000 0.927 29 V N -1.012 118.912 119.914 0.018 0.000 2.735 29 V HA 0.512 4.659 4.120 0.046 0.000 0.310 29 V C -0.156 176.043 176.094 0.175 0.000 1.061 29 V CA -0.876 61.522 62.300 0.162 0.000 0.913 29 V CB 1.671 33.595 31.823 0.167 0.000 1.005 29 V HN 0.401 nan 8.190 nan 0.000 0.428 30 S N 3.172 119.031 115.700 0.266 0.000 2.422 30 S HA 0.689 5.186 4.470 0.046 0.000 0.283 30 S C 0.314 174.857 174.600 -0.096 0.000 1.163 30 S CA 0.124 58.375 58.200 0.085 0.000 1.054 30 S CB 0.750 64.082 63.200 0.220 0.000 0.967 30 S HN 1.487 nan 8.310 nan 0.000 0.499 31 A N 3.625 126.223 122.820 -0.371 0.000 2.271 31 A HA 0.723 5.070 4.320 0.046 0.000 0.317 31 A C -0.736 176.407 177.584 -0.735 0.000 1.245 31 A CA -0.638 51.074 52.037 -0.541 0.000 0.857 31 A CB 0.056 18.727 19.000 -0.549 0.000 1.175 31 A HN 0.689 nan 8.150 nan 0.000 0.512 32 F N 3.423 123.223 119.950 -0.250 0.000 2.293 32 F HA 0.425 4.980 4.527 0.045 0.000 0.370 32 F C -0.131 175.496 175.800 -0.288 0.000 1.090 32 F CA -0.332 57.595 58.000 -0.122 0.000 1.133 32 F CB 0.867 39.983 39.000 0.193 0.000 1.360 32 F HN 0.337 nan 8.300 nan 0.000 0.489 33 L N 2.199 123.270 121.223 -0.252 0.000 2.317 33 L HA 0.736 5.103 4.340 0.046 0.000 0.281 33 L C 0.896 177.677 176.870 -0.148 0.000 1.024 33 L CA -0.957 53.696 54.840 -0.313 0.000 0.810 33 L CB 1.561 43.238 42.059 -0.636 0.000 1.240 33 L HN 0.802 nan 8.230 nan 0.000 0.427 34 G N 3.065 111.842 108.800 -0.038 0.000 2.171 34 G HA2 -0.226 3.761 3.960 0.046 0.000 0.238 34 G HA3 -0.226 3.761 3.960 0.046 0.000 0.238 34 G C -0.161 174.741 174.900 0.003 0.000 1.039 34 G CA -0.473 44.583 45.100 -0.074 0.000 0.759 34 G HN 0.497 nan 8.290 nan 0.000 0.501 35 I N 1.606 122.205 120.570 0.048 0.000 2.416 35 I HA 0.281 4.478 4.170 0.046 0.000 0.288 35 I C -1.683 174.486 176.117 0.088 0.000 1.051 35 I CA -2.205 59.103 61.300 0.013 0.000 1.375 35 I CB 1.062 39.014 38.000 -0.080 0.000 1.407 35 I HN -0.058 nan 8.210 nan 0.000 0.516 36 P HA 0.122 nan 4.420 nan 0.000 0.286 36 P C -0.216 177.003 177.300 -0.134 0.000 1.269 36 P CA -0.180 62.816 63.100 -0.173 0.000 0.787 36 P CB 0.487 32.096 31.700 -0.152 0.000 0.920 37 F N 0.989 120.775 119.950 -0.274 0.000 2.706 37 F HA 0.713 5.267 4.527 0.046 0.000 0.308 37 F C 0.247 176.048 175.800 0.001 0.000 1.095 37 F CA -0.667 57.238 58.000 -0.158 0.000 1.244 37 F CB 0.084 38.899 39.000 -0.309 0.000 1.063 37 F HN 0.264 nan 8.300 nan 0.000 0.582 38 A N 0.296 122.777 122.820 -0.565 0.000 2.498 38 A HA 0.556 4.904 4.320 0.046 0.000 0.298 38 A C -0.655 176.745 177.584 -0.306 0.000 1.075 38 A CA -0.788 51.037 52.037 -0.353 0.000 0.714 38 A CB 0.943 19.662 19.000 -0.468 0.000 1.299 38 A HN 0.077 nan 8.150 nan 0.000 0.407 39 E N 1.487 121.601 120.200 -0.143 0.000 2.465 39 E HA 0.143 4.520 4.350 0.046 0.000 0.260 39 E C -2.283 174.206 176.600 -0.186 0.000 0.980 39 E CA -1.111 55.219 56.400 -0.117 0.000 0.927 39 E CB -0.131 29.541 29.700 -0.047 0.000 0.934 39 E HN 0.232 nan 8.360 nan 0.000 0.459 40 P HA -0.004 nan 4.420 nan 0.000 0.260 40 P C -2.219 174.995 177.300 -0.143 0.000 1.185 40 P CA -0.770 62.216 63.100 -0.189 0.000 0.763 40 P CB -0.083 31.549 31.700 -0.113 0.000 0.776 41 P HA 0.012 nan 4.420 nan 0.000 0.220 41 P C -0.265 176.954 177.300 -0.135 0.000 1.806 41 P CA 0.059 63.084 63.100 -0.124 0.000 0.976 41 P CB -0.100 31.530 31.700 -0.117 0.000 1.952 42 V N -2.442 117.401 119.914 -0.118 0.000 3.096 42 V HA 0.883 5.031 4.120 0.046 0.000 0.319 42 V C 1.118 177.154 176.094 -0.097 0.000 1.103 42 V CA 0.078 62.306 62.300 -0.120 0.000 1.016 42 V CB 0.687 32.450 31.823 -0.100 0.000 1.090 42 V HN 0.536 nan 8.190 nan 0.000 0.449 43 G N 2.121 110.865 108.800 -0.094 0.000 2.634 43 G HA2 -0.381 3.606 3.960 0.046 0.000 0.318 43 G HA3 -0.381 3.606 3.960 0.046 0.000 0.318 43 G C 1.309 176.170 174.900 -0.065 0.000 1.207 43 G CA 1.997 47.058 45.100 -0.066 0.000 0.987 43 G HN 2.353 nan 8.290 nan 0.000 0.547 44 S N 0.174 115.851 115.700 -0.038 0.000 2.522 44 S HA 0.100 4.597 4.470 0.046 0.000 0.227 44 S C 1.979 176.564 174.600 -0.024 0.000 0.986 44 S CA 1.511 59.700 58.200 -0.018 0.000 0.929 44 S CB 0.046 63.246 63.200 -0.000 0.000 0.769 44 S HN 0.556 nan 8.310 nan 0.000 0.529 45 R N 1.341 121.812 120.500 -0.049 0.000 2.297 45 R HA 0.245 4.612 4.340 0.046 0.000 0.197 45 R C 0.847 177.092 176.300 -0.092 0.000 0.943 45 R CA -0.094 55.977 56.100 -0.048 0.000 1.038 45 R CB -0.560 29.712 30.300 -0.047 0.000 0.957 45 R HN 0.539 nan 8.270 nan 0.000 0.484 46 R N 0.698 121.091 120.500 -0.179 0.000 2.585 46 R HA -0.147 4.220 4.340 0.046 0.000 0.275 46 R C -0.226 175.834 176.300 -0.400 0.000 1.018 46 R CA 0.509 56.367 56.100 -0.403 0.000 1.072 46 R CB 0.060 29.993 30.300 -0.612 0.000 0.953 46 R HN 0.081 nan 8.270 nan 0.000 0.419 47 F N -0.525 119.443 119.950 0.030 0.000 2.825 47 F HA -0.288 4.266 4.527 0.045 0.000 0.358 47 F C -0.056 175.737 175.800 -0.012 0.000 0.639 47 F CA 0.583 58.574 58.000 -0.015 0.000 1.153 47 F CB -1.559 37.421 39.000 -0.034 0.000 1.610 47 F HN 0.465 nan 8.300 nan 0.000 0.305 48 M N 1.023 120.682 119.600 0.098 0.000 2.472 48 M HA 0.413 4.920 4.480 0.046 0.000 0.331 48 M C -2.052 174.278 176.300 0.051 0.000 1.170 48 M CA -1.573 53.772 55.300 0.076 0.000 1.009 48 M CB 1.253 33.884 32.600 0.051 0.000 1.672 48 M HN -0.392 nan 8.290 nan 0.000 0.453 49 P HA -0.004 nan 4.420 nan 0.000 0.263 49 P C -2.422 174.911 177.300 0.056 0.000 1.168 49 P CA -0.361 62.780 63.100 0.069 0.000 0.759 49 P CB -0.653 31.096 31.700 0.082 0.000 0.782 50 P HA 0.064 nan 4.420 nan 0.000 0.268 50 P C -0.435 176.902 177.300 0.062 0.000 1.205 50 P CA 0.341 63.469 63.100 0.046 0.000 0.771 50 P CB 0.760 32.515 31.700 0.092 0.000 0.858 51 E N 4.217 124.437 120.200 0.033 0.000 2.231 51 E HA 0.315 4.692 4.350 0.046 0.000 0.277 51 E C -2.082 174.556 176.600 0.063 0.000 0.999 51 E CA -2.427 54.003 56.400 0.050 0.000 0.827 51 E CB 0.170 29.890 29.700 0.032 0.000 1.101 51 E HN 0.386 nan 8.360 nan 0.000 0.393 52 P HA -0.100 nan 4.420 nan 0.000 0.264 52 P C -0.527 176.844 177.300 0.119 0.000 1.183 52 P CA -0.000 63.185 63.100 0.143 0.000 0.763 52 P CB 0.434 32.223 31.700 0.148 0.000 0.807 53 K N 4.392 124.884 120.400 0.153 0.000 2.436 53 K HA 0.006 4.353 4.320 0.046 0.000 0.282 53 K C 0.197 176.922 176.600 0.209 0.000 1.044 53 K CA 0.286 56.670 56.287 0.162 0.000 1.028 53 K CB -0.015 32.622 32.500 0.228 0.000 0.919 53 K HN 0.260 nan 8.250 nan 0.000 0.474 54 R N 5.345 125.943 120.500 0.164 0.000 2.623 54 R HA 0.068 4.435 4.340 0.046 0.000 0.271 54 R C -1.981 174.439 176.300 0.200 0.000 1.043 54 R CA -1.383 54.802 56.100 0.141 0.000 1.083 54 R CB -0.111 30.255 30.300 0.109 0.000 0.974 54 R HN 0.572 nan 8.270 nan 0.000 0.436 55 P HA -0.118 nan 4.420 nan 0.000 0.266 55 P C -1.127 176.205 177.300 0.054 0.000 1.193 55 P CA 0.330 63.351 63.100 -0.131 0.000 0.770 55 P CB 0.305 31.902 31.700 -0.171 0.000 0.836 56 W N 0.942 122.281 121.300 0.064 0.000 2.850 56 W HA 0.702 5.389 4.660 0.046 0.000 0.349 56 W C -0.556 175.991 176.519 0.047 0.000 1.133 56 W CA -1.004 56.375 57.345 0.055 0.000 1.117 56 W CB 0.024 29.525 29.460 0.068 0.000 1.442 56 W HN 0.371 nan 8.180 nan 0.000 0.575 57 S N 1.110 116.990 115.700 0.299 0.000 2.654 57 S HA 0.779 5.277 4.470 0.046 0.000 0.283 57 S C 0.661 175.417 174.600 0.260 0.000 1.180 57 S CA 0.069 58.371 58.200 0.170 0.000 1.021 57 S CB 0.821 64.095 63.200 0.123 0.000 1.018 57 S HN 2.105 nan 8.310 nan 0.000 0.532 58 G N 0.381 109.278 108.800 0.163 0.000 2.574 58 G HA2 -0.201 3.786 3.960 0.046 0.000 0.282 58 G HA3 -0.201 3.786 3.960 0.046 0.000 0.282 58 G C -0.508 174.544 174.900 0.253 0.000 1.257 58 G CA -0.029 45.169 45.100 0.163 0.000 0.956 58 G HN 1.734 nan 8.290 nan 0.000 0.560 59 V N 0.745 120.778 119.914 0.200 0.000 2.326 59 V HA 0.493 4.640 4.120 0.046 0.000 0.281 59 V C 0.327 176.503 176.094 0.137 0.000 1.015 59 V CA -0.565 61.855 62.300 0.199 0.000 0.823 59 V CB 1.207 33.105 31.823 0.126 0.000 1.009 59 V HN 0.788 nan 8.190 nan 0.000 0.436 60 L N 4.440 125.739 121.223 0.126 0.000 2.418 60 L HA 0.302 4.669 4.340 0.046 0.000 0.274 60 L C 0.472 177.310 176.870 -0.054 0.000 1.135 60 L CA 0.206 54.965 54.840 -0.134 0.000 0.870 60 L CB 0.495 42.192 42.059 -0.602 0.000 1.154 60 L HN 0.750 nan 8.230 nan 0.000 0.462 61 D N 4.626 124.980 120.400 -0.076 0.000 2.357 61 D HA 0.204 4.872 4.640 0.046 0.000 0.265 61 D C 0.082 176.330 176.300 -0.088 0.000 1.334 61 D CA 0.349 54.312 54.000 -0.062 0.000 0.984 61 D CB 0.502 41.257 40.800 -0.075 0.000 1.077 61 D HN 0.632 nan 8.370 nan 0.000 0.514 62 A N 3.485 126.286 122.820 -0.032 0.000 3.293 62 A HA 0.307 4.654 4.320 0.046 0.000 0.282 62 A C 1.196 178.704 177.584 -0.125 0.000 1.394 62 A CA -0.151 51.863 52.037 -0.039 0.000 1.118 62 A CB -0.351 18.727 19.000 0.131 0.000 1.133 62 A HN 0.578 nan 8.150 nan 0.000 0.627 63 T N -3.998 110.452 114.554 -0.173 0.000 2.959 63 T HA 0.246 4.624 4.350 0.046 0.000 0.254 63 T C 0.675 175.208 174.700 -0.278 0.000 1.003 63 T CA 0.712 62.677 62.100 -0.224 0.000 0.950 63 T CB 0.217 68.986 68.868 -0.164 0.000 1.090 63 T HN 0.345 nan 8.240 nan 0.000 0.503 64 T N 0.895 115.295 114.554 -0.256 0.000 2.908 64 T HA 0.619 4.996 4.350 0.046 0.000 0.290 64 T C -1.202 173.343 174.700 -0.258 0.000 1.034 64 T CA -0.859 61.079 62.100 -0.271 0.000 1.010 64 T CB 0.505 69.275 68.868 -0.162 0.000 1.068 64 T HN 0.098 nan 8.240 nan 0.000 0.481 65 F N 3.171 123.044 119.950 -0.127 0.000 2.602 65 F HA 0.241 4.795 4.527 0.046 0.000 0.367 65 F C 1.418 177.111 175.800 -0.178 0.000 1.126 65 F CA 0.018 57.944 58.000 -0.124 0.000 1.321 65 F CB 0.415 39.374 39.000 -0.068 0.000 1.094 65 F HN 0.429 nan 8.300 nan 0.000 0.594 66 Q N 1.659 121.460 119.800 0.001 0.000 2.308 66 Q HA 0.167 4.534 4.340 0.046 0.000 0.207 66 Q C -0.089 175.851 176.000 -0.101 0.000 1.035 66 Q CA -0.593 55.063 55.803 -0.246 0.000 1.008 66 Q CB 0.509 28.780 28.738 -0.779 0.000 1.168 66 Q HN 0.510 nan 8.270 nan 0.000 0.565 67 N N -0.283 118.340 118.700 -0.127 0.000 2.395 67 N HA 0.006 4.773 4.740 0.046 0.000 0.246 67 N C -0.544 174.955 175.510 -0.018 0.000 1.246 67 N CA 0.105 53.123 53.050 -0.053 0.000 0.879 67 N CB 0.377 38.846 38.487 -0.030 0.000 1.098 67 N HN 0.179 nan 8.380 nan 0.000 0.444 68 V N 1.823 121.691 119.914 -0.077 0.000 2.686 68 V HA 0.043 4.191 4.120 0.046 0.000 0.295 68 V C 0.782 176.819 176.094 -0.095 0.000 1.055 68 V CA -0.752 61.479 62.300 -0.114 0.000 1.050 68 V CB 0.743 32.456 31.823 -0.183 0.000 0.984 68 V HN 0.696 nan 8.190 nan 0.000 0.482 69 c N 4.074 122.630 118.600 -0.073 0.000 2.679 69 c HA 0.114 4.712 4.570 0.046 0.000 0.417 69 c C 0.471 174.506 174.090 -0.093 0.000 1.302 69 c CA -0.583 55.710 56.329 -0.060 0.000 1.973 69 c CB -0.843 41.661 42.510 -0.009 0.000 2.715 69 c HN 0.756 nan 8.230 nan 0.000 0.628 70 Y N 3.854 124.002 120.300 -0.254 0.000 2.632 70 Y HA 0.271 4.849 4.550 0.046 0.000 0.329 70 Y C 0.715 176.656 175.900 0.067 0.000 1.174 70 Y CA 0.973 58.931 58.100 -0.237 0.000 1.469 70 Y CB 0.069 38.149 38.460 -0.635 0.000 1.242 70 Y HN 0.736 nan 8.280 nan 0.000 0.540 71 Q N 4.797 124.535 119.800 -0.102 0.000 2.522 71 Q HA 0.191 4.559 4.340 0.046 0.000 0.285 71 Q C -1.756 174.301 176.000 0.095 0.000 0.982 71 Q CA -1.205 54.703 55.803 0.174 0.000 0.805 71 Q CB 1.188 29.994 28.738 0.114 0.000 1.457 71 Q HN 0.698 nan 8.270 nan 0.000 0.394 72 Y N 1.450 121.846 120.300 0.159 0.000 2.717 72 Y HA 0.255 4.832 4.550 0.045 0.000 0.330 72 Y C -0.947 174.975 175.900 0.038 0.000 1.217 72 Y CA 0.299 58.450 58.100 0.086 0.000 1.506 72 Y CB 0.722 39.216 38.460 0.056 0.000 1.268 72 Y HN 0.422 nan 8.280 nan 0.000 0.561 73 V N 6.626 126.077 119.914 -0.772 0.000 2.427 73 V HA 0.089 4.237 4.120 0.046 0.000 0.286 73 V C -0.376 175.111 176.094 -1.012 0.000 1.034 73 V CA -0.918 61.007 62.300 -0.625 0.000 0.893 73 V CB 1.462 33.065 31.823 -0.367 0.000 0.982 73 V HN 0.761 nan 8.190 nan 0.000 0.452 74 D N 3.190 123.315 120.400 -0.458 0.000 2.358 74 D HA 0.162 4.829 4.640 0.046 0.000 0.258 74 D C 1.082 177.348 176.300 -0.056 0.000 1.223 74 D CA 0.215 54.123 54.000 -0.153 0.000 0.886 74 D CB 1.225 42.146 40.800 0.201 0.000 1.120 74 D HN 0.722 nan 8.370 nan 0.000 0.482 75 T N 1.340 115.884 114.554 -0.017 0.000 3.092 75 T HA 0.027 4.404 4.350 0.046 0.000 0.258 75 T C 1.680 176.396 174.700 0.027 0.000 1.031 75 T CA -0.448 61.656 62.100 0.006 0.000 0.925 75 T CB -0.019 68.840 68.868 -0.015 0.000 1.036 75 T HN 0.268 nan 8.240 nan 0.000 0.544 76 L N 0.752 122.004 121.223 0.048 0.000 2.012 76 L HA 0.082 4.450 4.340 0.046 0.000 0.210 76 L C -0.056 176.571 176.870 -0.404 0.000 1.073 76 L CA 1.649 56.370 54.840 -0.199 0.000 0.748 76 L CB -0.400 41.475 42.059 -0.305 0.000 0.891 76 L HN 0.372 nan 8.230 nan 0.000 0.431 77 Y N -0.243 120.119 120.300 0.103 0.000 2.837 77 Y HA 0.413 4.991 4.550 0.046 0.000 0.356 77 Y C -2.191 173.762 175.900 0.088 0.000 1.035 77 Y CA -3.474 54.657 58.100 0.052 0.000 1.165 77 Y CB -0.229 38.225 38.460 -0.011 0.000 1.147 77 Y HN 0.079 nan 8.280 nan 0.000 0.628 78 P HA 0.117 nan 4.420 nan 0.000 0.263 78 P C 1.023 178.383 177.300 0.101 0.000 1.195 78 P CA 1.350 64.507 63.100 0.095 0.000 0.762 78 P CB 0.789 32.516 31.700 0.046 0.000 0.799 79 G N 2.387 111.232 108.800 0.075 0.000 2.176 79 G HA2 -0.281 3.706 3.960 0.046 0.000 0.253 79 G HA3 -0.281 3.706 3.960 0.046 0.000 0.253 79 G C -0.092 174.846 174.900 0.064 0.000 0.979 79 G CA -0.401 44.725 45.100 0.042 0.000 0.641 79 G HN 0.542 nan 8.290 nan 0.000 0.530 80 F N 2.013 121.920 119.950 -0.072 0.000 2.445 80 F HA 0.655 5.209 4.527 0.045 0.000 0.359 80 F C 1.302 176.990 175.800 -0.186 0.000 1.101 80 F CA -0.737 57.163 58.000 -0.166 0.000 1.177 80 F CB 1.404 40.271 39.000 -0.222 0.000 1.110 80 F HN 0.072 nan 8.300 nan 0.000 0.522 81 E N 3.918 123.695 120.200 -0.705 0.000 2.171 81 E HA -0.115 4.262 4.350 0.046 0.000 0.197 81 E C 2.215 178.305 176.600 -0.850 0.000 0.997 81 E CA 1.926 57.934 56.400 -0.654 0.000 0.810 81 E CB -0.484 28.910 29.700 -0.508 0.000 0.738 81 E HN 0.918 nan 8.360 nan 0.000 0.467 82 G N -0.941 106.765 108.800 -1.823 0.000 2.422 82 G HA2 -0.285 3.702 3.960 0.046 0.000 0.218 82 G HA3 -0.285 3.702 3.960 0.046 0.000 0.218 82 G C 1.698 176.588 174.900 -0.017 0.000 1.146 82 G CA 1.677 45.976 45.100 -1.335 0.000 0.769 82 G HN 0.488 nan 8.290 nan 0.000 0.547 83 T N -1.587 112.957 114.554 -0.016 0.000 2.983 83 T HA 0.105 4.482 4.350 0.046 0.000 0.250 83 T C 1.978 176.845 174.700 0.278 0.000 1.037 83 T CA 0.970 63.394 62.100 0.540 0.000 1.142 83 T CB -0.034 69.204 68.868 0.618 0.000 0.876 83 T HN 0.083 nan 8.240 nan 0.000 0.455 84 E N 2.409 122.621 120.200 0.019 0.000 2.118 84 E HA -0.135 4.242 4.350 0.046 0.000 0.195 84 E C 2.248 178.758 176.600 -0.151 0.000 0.992 84 E CA 1.530 57.894 56.400 -0.059 0.000 0.804 84 E CB -0.591 29.036 29.700 -0.121 0.000 0.741 84 E HN 0.816 nan 8.360 nan 0.000 0.458 85 M N -2.554 116.868 119.600 -0.298 0.000 2.539 85 M HA -0.066 4.442 4.480 0.046 0.000 0.261 85 M C 1.246 177.139 176.300 -0.679 0.000 1.069 85 M CA 1.349 56.324 55.300 -0.541 0.000 1.081 85 M CB -0.470 31.704 32.600 -0.710 0.000 1.412 85 M HN 0.010 nan 8.290 nan 0.000 0.482 86 W N 0.575 121.801 121.300 -0.123 0.000 3.013 86 W HA 0.287 4.974 4.660 0.045 0.000 0.280 86 W C 0.512 176.927 176.519 -0.173 0.000 1.249 86 W CA -0.948 56.302 57.345 -0.159 0.000 1.577 86 W CB -0.020 29.397 29.460 -0.072 0.000 1.057 86 W HN 0.080 nan 8.180 nan 0.000 0.613 87 N N 1.804 120.525 118.700 0.034 0.000 2.415 87 N HA 0.072 4.840 4.740 0.046 0.000 0.248 87 N C -2.458 172.971 175.510 -0.136 0.000 1.271 87 N CA -1.057 51.963 53.050 -0.050 0.000 0.913 87 N CB -0.253 38.202 38.487 -0.054 0.000 1.129 87 N HN -0.329 nan 8.380 nan 0.000 0.444 88 P HA 0.034 nan 4.420 nan 0.000 0.263 88 P C 0.208 177.402 177.300 -0.176 0.000 1.195 88 P CA 0.072 63.057 63.100 -0.192 0.000 0.762 88 P CB 0.234 31.812 31.700 -0.202 0.000 0.799 89 N N 2.685 121.270 118.700 -0.191 0.000 2.214 89 N HA 0.084 4.851 4.740 0.046 0.000 0.214 89 N C 0.118 175.554 175.510 -0.123 0.000 1.132 89 N CA -0.019 52.935 53.050 -0.160 0.000 0.856 89 N CB 0.331 38.707 38.487 -0.184 0.000 1.020 89 N HN 0.148 nan 8.380 nan 0.000 0.509 90 R N -0.035 120.386 120.500 -0.131 0.000 2.817 90 R HA 0.324 4.691 4.340 0.046 0.000 0.268 90 R C -0.415 175.820 176.300 -0.109 0.000 1.027 90 R CA -0.662 55.380 56.100 -0.098 0.000 0.928 90 R CB 0.618 30.870 30.300 -0.080 0.000 1.228 90 R HN 0.062 nan 8.270 nan 0.000 0.469 91 E N 1.631 121.778 120.200 -0.087 0.000 2.502 91 E HA 0.019 4.396 4.350 0.046 0.000 0.261 91 E C -0.080 176.458 176.600 -0.104 0.000 0.974 91 E CA 0.295 56.645 56.400 -0.084 0.000 0.936 91 E CB 0.285 29.950 29.700 -0.058 0.000 0.926 91 E HN 0.273 nan 8.360 nan 0.000 0.459 92 L N 2.143 123.283 121.223 -0.138 0.000 2.380 92 L HA 0.213 4.580 4.340 0.046 0.000 0.273 92 L C 0.773 177.634 176.870 -0.015 0.000 1.138 92 L CA 0.064 54.781 54.840 -0.205 0.000 0.832 92 L CB 0.740 42.464 42.059 -0.557 0.000 1.124 92 L HN 0.339 nan 8.230 nan 0.000 0.454 93 S N 1.063 116.774 115.700 0.018 0.000 2.550 93 S HA 0.236 4.733 4.470 0.046 0.000 0.270 93 S C 0.258 174.840 174.600 -0.031 0.000 1.145 93 S CA -0.671 57.560 58.200 0.053 0.000 0.852 93 S CB 1.742 64.946 63.200 0.007 0.000 1.119 93 S HN 0.737 nan 8.310 nan 0.000 0.465 94 E N 0.831 120.946 120.200 -0.142 0.000 2.347 94 E HA -0.040 4.337 4.350 0.046 0.000 0.196 94 E C -0.378 176.127 176.600 -0.157 0.000 1.008 94 E CA 0.424 56.659 56.400 -0.275 0.000 0.852 94 E CB 0.131 29.604 29.700 -0.379 0.000 0.783 94 E HN 0.533 nan 8.360 nan 0.000 0.505 95 D N 0.319 120.671 120.400 -0.080 0.000 2.453 95 D HA 0.003 4.670 4.640 0.046 0.000 0.223 95 D C 0.017 176.383 176.300 0.109 0.000 1.183 95 D CA -0.296 53.692 54.000 -0.020 0.000 0.933 95 D CB 0.123 40.937 40.800 0.023 0.000 1.038 95 D HN 0.142 nan 8.370 nan 0.000 0.513 96 c N 2.451 121.068 118.600 0.028 0.000 4.095 96 c HA 0.328 4.925 4.570 0.046 0.000 0.327 96 c C 0.746 174.847 174.090 0.017 0.000 1.811 96 c CA -0.614 55.813 56.329 0.163 0.000 1.785 96 c CB -1.181 41.362 42.510 0.055 0.000 3.120 96 c HN 0.467 nan 8.230 nan 0.000 0.621 97 L N 2.576 123.506 121.223 -0.488 0.000 2.376 97 L HA 0.328 4.695 4.340 0.046 0.000 0.250 97 L C -0.971 175.142 176.870 -1.262 0.000 1.335 97 L CA 0.738 55.076 54.840 -0.836 0.000 1.214 97 L CB -0.777 40.711 42.059 -0.952 0.000 1.395 97 L HN 0.425 nan 8.230 nan 0.000 0.424 98 Y N 1.176 121.419 120.300 -0.095 0.000 2.512 98 Y HA 0.562 5.140 4.550 0.045 0.000 0.348 98 Y C -0.052 176.047 175.900 0.332 0.000 0.990 98 Y CA -1.259 56.875 58.100 0.058 0.000 1.033 98 Y CB 1.915 40.368 38.460 -0.011 0.000 1.259 98 Y HN 0.147 nan 8.280 nan 0.000 0.461 99 L N 0.301 121.734 121.223 0.350 0.000 2.319 99 L HA 0.770 5.137 4.340 0.046 0.000 0.267 99 L C -1.040 175.852 176.870 0.037 0.000 1.011 99 L CA -1.079 53.840 54.840 0.131 0.000 0.818 99 L CB 1.502 43.458 42.059 -0.171 0.000 1.316 99 L HN 0.432 nan 8.230 nan 0.000 0.432 100 N N 0.664 119.404 118.700 0.066 0.000 2.321 100 N HA 0.619 5.386 4.740 0.046 0.000 0.299 100 N C -1.402 174.045 175.510 -0.105 0.000 1.048 100 N CA -0.438 52.556 53.050 -0.093 0.000 0.836 100 N CB 2.775 41.226 38.487 -0.060 0.000 1.269 100 N HN 0.484 nan 8.380 nan 0.000 0.486 101 V N 2.095 121.883 119.914 -0.211 0.000 2.407 101 V HA 0.383 4.530 4.120 0.046 0.000 0.291 101 V C -0.529 175.570 176.094 0.007 0.000 1.018 101 V CA -0.837 61.439 62.300 -0.040 0.000 0.842 101 V CB 1.553 33.182 31.823 -0.324 0.000 0.996 101 V HN 0.536 nan 8.190 nan 0.000 0.426 102 W N 3.461 124.890 121.300 0.215 0.000 2.390 102 W HA 0.591 5.278 4.660 0.046 0.000 0.312 102 W C 0.439 177.100 176.519 0.237 0.000 1.123 102 W CA -0.416 57.056 57.345 0.212 0.000 1.202 102 W CB 2.209 31.766 29.460 0.161 0.000 1.251 102 W HN 0.614 nan 8.180 nan 0.000 0.511 103 T N 0.348 115.191 114.554 0.482 0.000 2.926 103 T HA 0.565 4.943 4.350 0.046 0.000 0.289 103 T C -2.695 172.199 174.700 0.323 0.000 1.054 103 T CA -2.572 59.760 62.100 0.387 0.000 1.015 103 T CB 2.128 71.248 68.868 0.420 0.000 1.167 103 T HN -0.053 nan 8.240 nan 0.000 0.526 104 P HA 0.235 nan 4.420 nan 0.000 0.270 104 P C -1.568 175.880 177.300 0.247 0.000 1.223 104 P CA -0.295 62.934 63.100 0.216 0.000 0.785 104 P CB 0.135 31.930 31.700 0.159 0.000 0.923 105 Y N 2.322 122.682 120.300 0.100 0.000 2.326 105 Y HA 0.411 4.988 4.550 0.045 0.000 0.329 105 Y C -2.271 173.665 175.900 0.060 0.000 0.973 105 Y CA -2.661 55.489 58.100 0.082 0.000 1.162 105 Y CB 1.409 39.903 38.460 0.056 0.000 1.147 105 Y HN 0.329 nan 8.280 nan 0.000 0.456 106 P HA 0.125 nan 4.420 nan 0.000 0.274 106 P C -1.112 176.165 177.300 -0.040 0.000 1.246 106 P CA -0.456 62.532 63.100 -0.186 0.000 0.795 106 P CB 0.973 32.605 31.700 -0.114 0.000 1.006 107 R N 1.442 121.905 120.500 -0.062 0.000 2.590 107 R HA 0.273 4.640 4.340 0.046 0.000 0.274 107 R C -2.170 174.158 176.300 0.047 0.000 1.061 107 R CA -1.296 54.834 56.100 0.049 0.000 1.081 107 R CB -1.071 29.272 30.300 0.072 0.000 0.984 107 R HN 0.275 nan 8.270 nan 0.000 0.448 108 P HA -0.112 nan 4.420 nan 0.000 0.261 108 P C -0.034 177.288 177.300 0.037 0.000 1.173 108 P CA 0.687 63.825 63.100 0.062 0.000 0.760 108 P CB 0.774 32.521 31.700 0.078 0.000 0.783 109 A N 3.243 126.079 122.820 0.026 0.000 1.908 109 A HA -0.076 4.271 4.320 0.046 0.000 0.218 109 A C 0.977 178.569 177.584 0.014 0.000 1.181 109 A CA 1.788 53.833 52.037 0.014 0.000 0.627 109 A CB -0.707 18.301 19.000 0.013 0.000 0.818 109 A HN 0.626 nan 8.150 nan 0.000 0.445 110 S N -1.484 114.228 115.700 0.020 0.000 2.536 110 S HA 0.590 5.087 4.470 0.046 0.000 0.298 110 S C -3.122 171.493 174.600 0.025 0.000 1.083 110 S CA -1.934 56.276 58.200 0.016 0.000 0.995 110 S CB 1.381 64.588 63.200 0.011 0.000 1.058 110 S HN -0.022 nan 8.310 nan 0.000 0.488 111 P HA 0.006 nan 4.420 nan 0.000 0.238 111 P C -0.027 177.291 177.300 0.030 0.000 1.090 111 P CA 0.763 63.879 63.100 0.026 0.000 0.944 111 P CB -0.666 31.040 31.700 0.009 0.000 0.881 112 T N 2.583 117.168 114.554 0.052 0.000 2.875 112 T HA 0.455 4.833 4.350 0.046 0.000 0.284 112 T C -2.543 172.193 174.700 0.060 0.000 0.995 112 T CA -2.926 59.206 62.100 0.053 0.000 1.060 112 T CB 0.759 69.670 68.868 0.072 0.000 0.967 112 T HN -0.021 nan 8.240 nan 0.000 0.476 113 P HA 0.128 nan 4.420 nan 0.000 0.264 113 P C -0.724 176.627 177.300 0.085 0.000 1.179 113 P CA -0.230 62.898 63.100 0.047 0.000 0.763 113 P CB 0.349 32.059 31.700 0.017 0.000 0.806 114 V N 5.050 125.033 119.914 0.114 0.000 2.435 114 V HA 0.267 4.414 4.120 0.046 0.000 0.290 114 V C 0.226 176.422 176.094 0.171 0.000 1.030 114 V CA -0.419 61.974 62.300 0.155 0.000 0.881 114 V CB 1.197 33.124 31.823 0.173 0.000 0.983 114 V HN 0.304 nan 8.190 nan 0.000 0.445 115 L N 6.169 127.508 121.223 0.194 0.000 2.280 115 L HA 0.532 4.899 4.340 0.046 0.000 0.287 115 L C -0.260 176.888 176.870 0.464 0.000 1.023 115 L CA 0.169 55.158 54.840 0.249 0.000 0.819 115 L CB 1.245 43.315 42.059 0.019 0.000 1.212 115 L HN 0.477 nan 8.230 nan 0.000 0.420 116 I N 3.208 124.055 120.570 0.462 0.000 2.307 116 I HA 0.148 4.345 4.170 0.046 0.000 0.289 116 I C -0.487 175.891 176.117 0.435 0.000 1.021 116 I CA -0.389 61.147 61.300 0.393 0.000 1.224 116 I CB 0.693 38.794 38.000 0.169 0.000 1.376 116 I HN 0.658 nan 8.210 nan 0.000 0.470 117 W N 8.729 130.125 121.300 0.160 0.000 2.316 117 W HA 0.498 5.185 4.660 0.045 0.000 0.311 117 W C -1.423 174.970 176.519 -0.210 0.000 1.217 117 W CA -0.605 56.553 57.345 -0.313 0.000 1.199 117 W CB 1.013 30.335 29.460 -0.231 0.000 1.202 117 W HN 0.362 nan 8.180 nan 0.000 0.528 118 I N 9.362 129.241 120.570 -1.151 0.000 2.359 118 I HA 0.072 4.270 4.170 0.046 0.000 0.284 118 I C -0.119 175.085 176.117 -1.522 0.000 1.018 118 I CA -1.092 59.581 61.300 -1.045 0.000 1.173 118 I CB 0.550 38.107 38.000 -0.738 0.000 1.326 118 I HN 0.320 nan 8.210 nan 0.000 0.462 119 Y N 4.619 124.344 120.300 -0.959 0.000 2.459 119 Y HA 0.616 5.193 4.550 0.045 0.000 0.349 119 Y C 0.862 176.522 175.900 -0.399 0.000 1.266 119 Y CA -0.669 57.019 58.100 -0.687 0.000 1.483 119 Y CB -0.101 38.278 38.460 -0.135 0.000 1.362 119 Y HN 0.507 nan 8.280 nan 0.000 0.628 120 G N -1.255 107.492 108.800 -0.089 0.000 2.671 120 G HA2 0.493 4.480 3.960 0.046 0.000 0.275 120 G HA3 0.493 4.480 3.960 0.046 0.000 0.275 120 G C 0.329 175.079 174.900 -0.248 0.000 1.368 120 G CA -0.938 43.994 45.100 -0.280 0.000 1.044 120 G HN 1.684 nan 8.290 nan 0.000 0.543 121 G N -2.955 105.467 108.800 -0.629 0.000 2.240 121 G HA2 0.397 4.384 3.960 0.046 0.000 0.181 121 G HA3 0.397 4.384 3.960 0.046 0.000 0.181 121 G C 1.090 175.147 174.900 -1.405 0.000 1.028 121 G CA 0.787 45.367 45.100 -0.867 0.000 0.760 121 G HN 2.363 nan 8.290 nan 0.000 0.508 122 G N -0.561 107.433 108.800 -1.345 0.000 2.168 122 G HA2 -0.125 3.863 3.960 0.046 0.000 0.257 122 G HA3 -0.125 3.863 3.960 0.046 0.000 0.257 122 G C 0.901 175.304 174.900 -0.828 0.000 0.997 122 G CA 0.808 44.801 45.100 -1.846 0.000 0.708 122 G HN 1.730 nan 8.290 nan 0.000 0.520 123 F N -3.420 116.254 119.950 -0.460 0.000 2.748 123 F HA -0.317 4.238 4.527 0.046 0.000 0.370 123 F C 1.500 177.371 175.800 0.118 0.000 0.620 123 F CA 2.187 60.127 58.000 -0.099 0.000 1.233 123 F CB -2.046 36.784 39.000 -0.283 0.000 1.708 123 F HN 0.893 nan 8.300 nan 0.000 0.298 124 Y N -0.886 119.490 120.300 0.127 0.000 2.430 124 Y HA 0.650 5.228 4.550 0.045 0.000 0.248 124 Y C 0.750 176.739 175.900 0.147 0.000 1.108 124 Y CA 0.194 58.423 58.100 0.216 0.000 1.264 124 Y CB -0.132 38.451 38.460 0.206 0.000 1.172 124 Y HN 0.097 nan 8.280 nan 0.000 0.520 125 S N -1.007 114.473 115.700 -0.368 0.000 2.790 125 S HA 0.872 5.370 4.470 0.046 0.000 0.292 125 S C -0.071 174.363 174.600 -0.277 0.000 1.197 125 S CA -0.492 57.559 58.200 -0.248 0.000 0.851 125 S CB 1.455 64.502 63.200 -0.255 0.000 1.217 125 S HN 1.364 nan 8.310 nan 0.000 0.526 126 G N -0.621 107.986 108.800 -0.322 0.000 2.497 126 G HA2 0.532 4.520 3.960 0.046 0.000 0.686 126 G HA3 0.532 4.520 3.960 0.046 0.000 0.686 126 G C -0.609 173.668 174.900 -1.039 0.000 1.288 126 G CA -0.296 44.463 45.100 -0.568 0.000 0.899 126 G HN 2.295 nan 8.290 nan 0.000 0.608 127 A N -1.316 120.664 122.820 -1.401 0.000 2.582 127 A HA 0.963 5.310 4.320 0.046 0.000 0.297 127 A C 0.457 177.746 177.584 -0.491 0.000 1.059 127 A CA 0.697 52.185 52.037 -0.915 0.000 0.705 127 A CB 0.828 19.559 19.000 -0.449 0.000 1.279 127 A HN 2.609 nan 8.150 nan 0.000 0.404 128 A N 0.643 123.439 122.820 -0.040 0.000 2.252 128 A HA 0.334 4.681 4.320 0.046 0.000 0.207 128 A C 1.538 179.143 177.584 0.035 0.000 1.194 128 A CA 1.631 53.880 52.037 0.353 0.000 0.809 128 A CB -0.599 18.686 19.000 0.476 0.000 0.814 128 A HN 1.858 nan 8.150 nan 0.000 0.482 129 S N -0.998 114.455 115.700 -0.412 0.000 2.523 129 S HA 0.330 4.828 4.470 0.046 0.000 0.217 129 S C 0.454 174.569 174.600 -0.808 0.000 0.996 129 S CA -0.441 56.984 58.200 -1.292 0.000 0.921 129 S CB -0.477 61.995 63.200 -1.213 0.000 0.829 129 S HN 0.337 nan 8.310 nan 0.000 0.495 130 L N 2.672 123.582 121.223 -0.523 0.000 2.514 130 L HA 0.079 4.446 4.340 0.046 0.000 0.280 130 L C 1.032 177.550 176.870 -0.587 0.000 1.223 130 L CA -0.235 54.234 54.840 -0.617 0.000 0.864 130 L CB 0.202 41.693 42.059 -0.947 0.000 1.118 130 L HN 0.139 nan 8.230 nan 0.000 0.494 131 D N 1.224 121.341 120.400 -0.471 0.000 2.178 131 D HA -0.138 4.529 4.640 0.046 0.000 0.201 131 D C 1.993 178.035 176.300 -0.429 0.000 0.980 131 D CA 1.223 55.031 54.000 -0.320 0.000 0.842 131 D CB -0.059 40.594 40.800 -0.245 0.000 0.948 131 D HN 0.540 nan 8.370 nan 0.000 0.472 132 V N -1.321 118.177 119.914 -0.694 0.000 3.078 132 V HA -0.171 3.976 4.120 0.046 0.000 0.265 132 V C 1.033 176.556 176.094 -0.952 0.000 1.122 132 V CA 1.073 62.931 62.300 -0.736 0.000 1.141 132 V CB -1.146 30.192 31.823 -0.807 0.000 0.735 132 V HN 0.076 nan 8.190 nan 0.000 0.498 133 Y N 0.107 119.803 120.300 -1.007 0.000 2.625 133 Y HA 0.456 5.033 4.550 0.045 0.000 0.285 133 Y C 0.801 176.074 175.900 -1.044 0.000 1.168 133 Y CA -2.014 55.078 58.100 -1.680 0.000 1.250 133 Y CB -0.872 37.000 38.460 -0.980 0.000 1.130 133 Y HN 0.230 nan 8.280 nan 0.000 0.526 134 D N 0.773 120.875 120.400 -0.496 0.000 2.412 134 D HA 0.048 4.715 4.640 0.046 0.000 0.257 134 D C 1.333 177.352 176.300 -0.468 0.000 1.217 134 D CA 0.496 54.313 54.000 -0.304 0.000 0.897 134 D CB 1.363 42.147 40.800 -0.026 0.000 1.132 134 D HN 0.488 nan 8.370 nan 0.000 0.493 135 G N 4.076 111.937 108.800 -1.566 0.000 2.985 135 G HA2 -0.138 3.849 3.960 0.046 0.000 0.209 135 G HA3 -0.138 3.849 3.960 0.046 0.000 0.209 135 G C 1.500 175.802 174.900 -0.995 0.000 1.165 135 G CA -0.076 44.206 45.100 -1.363 0.000 0.776 135 G HN 0.558 nan 8.290 nan 0.000 0.541 136 R N -0.284 119.646 120.500 -0.950 0.000 2.092 136 R HA 0.004 4.372 4.340 0.046 0.000 0.231 136 R C 1.673 177.732 176.300 -0.402 0.000 1.119 136 R CA 0.990 56.776 56.100 -0.523 0.000 0.970 136 R CB -0.771 29.232 30.300 -0.495 0.000 0.864 136 R HN 0.301 nan 8.270 nan 0.000 0.440 137 F N 1.894 121.771 119.950 -0.122 0.000 2.075 137 F HA -0.035 4.520 4.527 0.046 0.000 0.297 137 F C 2.513 178.268 175.800 -0.075 0.000 1.113 137 F CA 1.040 58.991 58.000 -0.082 0.000 1.218 137 F CB -0.732 38.209 39.000 -0.098 0.000 0.984 137 F HN -0.138 nan 8.300 nan 0.000 0.472 138 L N -0.166 121.105 121.223 0.080 0.000 2.083 138 L HA -0.222 4.145 4.340 0.046 0.000 0.209 138 L C 2.722 179.613 176.870 0.036 0.000 1.083 138 L CA 1.103 55.945 54.840 0.003 0.000 0.752 138 L CB -0.973 41.031 42.059 -0.092 0.000 0.899 138 L HN 0.205 nan 8.230 nan 0.000 0.433 139 A N -0.904 121.945 122.820 0.047 0.000 1.877 139 A HA -0.250 4.097 4.320 0.046 0.000 0.216 139 A C 2.295 179.940 177.584 0.101 0.000 1.186 139 A CA 1.665 53.774 52.037 0.120 0.000 0.620 139 A CB -0.498 18.629 19.000 0.212 0.000 0.822 139 A HN 0.396 nan 8.150 nan 0.000 0.443 140 Q N -0.188 119.651 119.800 0.065 0.000 2.033 140 Q HA -0.069 4.298 4.340 0.046 0.000 0.196 140 Q C 2.202 178.242 176.000 0.067 0.000 0.970 140 Q CA 1.979 57.821 55.803 0.066 0.000 0.828 140 Q CB -0.295 28.461 28.738 0.030 0.000 0.895 140 Q HN 0.405 nan 8.270 nan 0.000 0.440 141 V N 1.353 121.307 119.914 0.067 0.000 2.548 141 V HA -0.123 4.025 4.120 0.046 0.000 0.249 141 V C 1.621 177.739 176.094 0.041 0.000 1.055 141 V CA 1.583 63.915 62.300 0.054 0.000 1.065 141 V CB -0.159 31.696 31.823 0.053 0.000 0.681 141 V HN 0.248 nan 8.190 nan 0.000 0.462 142 E N -0.586 119.639 120.200 0.042 0.000 2.526 142 E HA 0.226 4.603 4.350 0.046 0.000 0.208 142 E C 1.695 178.324 176.600 0.047 0.000 0.997 142 E CA 0.700 57.120 56.400 0.034 0.000 0.961 142 E CB 0.744 30.455 29.700 0.018 0.000 1.030 142 E HN 0.552 nan 8.360 nan 0.000 0.483 143 G N 1.936 110.775 108.800 0.066 0.000 2.168 143 G HA2 -0.332 3.655 3.960 0.046 0.000 0.257 143 G HA3 -0.332 3.655 3.960 0.046 0.000 0.257 143 G C 0.537 175.493 174.900 0.092 0.000 0.997 143 G CA 0.435 45.584 45.100 0.082 0.000 0.708 143 G HN 0.457 nan 8.290 nan 0.000 0.520 144 A N -0.455 122.418 122.820 0.089 0.000 2.440 144 A HA 0.619 4.966 4.320 0.046 0.000 0.251 144 A C 0.648 178.328 177.584 0.160 0.000 1.089 144 A CA 0.160 52.257 52.037 0.099 0.000 0.779 144 A CB 0.968 20.006 19.000 0.062 0.000 1.022 144 A HN 1.110 nan 8.150 nan 0.000 0.492 145 V N 4.318 124.336 119.914 0.174 0.000 2.372 145 V HA 0.169 4.317 4.120 0.046 0.000 0.261 145 V C 0.141 176.389 176.094 0.257 0.000 1.055 145 V CA 0.113 62.550 62.300 0.228 0.000 0.930 145 V CB 0.329 32.273 31.823 0.201 0.000 1.031 145 V HN 0.707 nan 8.190 nan 0.000 0.479 146 L N 7.104 128.537 121.223 0.349 0.000 2.264 146 L HA 0.588 4.956 4.340 0.046 0.000 0.289 146 L C -0.431 176.776 176.870 0.562 0.000 1.044 146 L CA -0.079 55.016 54.840 0.424 0.000 0.807 146 L CB 1.304 43.581 42.059 0.363 0.000 1.192 146 L HN 0.414 nan 8.230 nan 0.000 0.425 147 V N 3.542 123.739 119.914 0.472 0.000 2.547 147 V HA 0.698 4.845 4.120 0.046 0.000 0.299 147 V C -0.170 176.214 176.094 0.484 0.000 1.040 147 V CA -0.417 62.129 62.300 0.409 0.000 0.913 147 V CB 1.793 33.770 31.823 0.257 0.000 0.992 147 V HN 0.876 nan 8.190 nan 0.000 0.449 148 S N 4.746 120.726 115.700 0.467 0.000 2.540 148 S HA 0.864 5.362 4.470 0.046 0.000 0.275 148 S C -0.876 173.904 174.600 0.300 0.000 1.123 148 S CA -0.871 57.606 58.200 0.462 0.000 0.907 148 S CB 2.260 65.880 63.200 0.701 0.000 1.081 148 S HN 0.856 nan 8.310 nan 0.000 0.476 149 M N 1.148 120.882 119.600 0.223 0.000 2.602 149 M HA 0.654 5.161 4.480 0.046 0.000 0.312 149 M C -1.669 174.885 176.300 0.423 0.000 1.181 149 M CA -0.594 54.829 55.300 0.205 0.000 0.910 149 M CB 1.117 33.632 32.600 -0.141 0.000 1.723 149 M HN 0.537 nan 8.290 nan 0.000 0.459 150 N N 2.345 121.351 118.700 0.510 0.000 2.518 150 N HA 0.560 5.327 4.740 0.046 0.000 0.283 150 N C -1.369 174.457 175.510 0.526 0.000 1.119 150 N CA 0.098 53.470 53.050 0.537 0.000 0.983 150 N CB 0.581 39.279 38.487 0.353 0.000 1.139 150 N HN 0.713 nan 8.380 nan 0.000 0.465 151 Y N -1.705 118.786 120.300 0.318 0.000 2.545 151 Y HA 0.577 5.155 4.550 0.045 0.000 0.348 151 Y C -0.029 176.007 175.900 0.227 0.000 1.002 151 Y CA -1.360 56.869 58.100 0.215 0.000 1.039 151 Y CB 0.885 39.393 38.460 0.080 0.000 1.271 151 Y HN 0.200 nan 8.280 nan 0.000 0.467 152 R N 1.943 122.555 120.500 0.185 0.000 2.489 152 R HA 0.466 4.834 4.340 0.046 0.000 0.287 152 R C -0.324 176.080 176.300 0.174 0.000 1.053 152 R CA -0.231 55.935 56.100 0.110 0.000 1.036 152 R CB 0.699 31.046 30.300 0.078 0.000 0.966 152 R HN 0.712 nan 8.270 nan 0.000 0.432 153 V N 0.240 120.307 119.914 0.255 0.000 3.177 153 V HA 0.885 5.033 4.120 0.046 0.000 0.319 153 V C 0.832 177.250 176.094 0.540 0.000 1.125 153 V CA -0.140 62.430 62.300 0.449 0.000 1.029 153 V CB 1.204 33.189 31.823 0.270 0.000 1.119 153 V HN 0.972 nan 8.190 nan 0.000 0.452 154 G N 1.857 111.039 108.800 0.636 0.000 2.575 154 G HA2 -0.275 3.712 3.960 0.046 0.000 0.267 154 G HA3 -0.275 3.712 3.960 0.046 0.000 0.267 154 G C 0.977 176.066 174.900 0.316 0.000 1.264 154 G CA 1.299 46.726 45.100 0.545 0.000 0.935 154 G HN 2.331 nan 8.290 nan 0.000 0.568 155 T N -1.705 112.761 114.554 -0.147 0.000 2.737 155 T HA -0.167 4.211 4.350 0.046 0.000 0.269 155 T C 2.102 176.701 174.700 -0.169 0.000 1.040 155 T CA 2.750 64.498 62.100 -0.587 0.000 1.142 155 T CB -0.447 67.937 68.868 -0.806 0.000 0.861 155 T HN 0.655 nan 8.240 nan 0.000 0.456 156 F N 2.099 122.140 119.950 0.152 0.000 2.186 156 F HA 0.247 4.801 4.527 0.045 0.000 0.299 156 F C 2.829 178.629 175.800 0.000 0.000 1.090 156 F CA 0.715 58.749 58.000 0.057 0.000 1.307 156 F CB -0.998 37.989 39.000 -0.022 0.000 1.019 156 F HN 0.358 nan 8.300 nan 0.000 0.489 157 G N -1.672 107.179 108.800 0.087 0.000 2.539 157 G HA2 -0.022 3.965 3.960 0.046 0.000 0.215 157 G HA3 -0.022 3.965 3.960 0.046 0.000 0.215 157 G C 0.912 175.287 174.900 -0.875 0.000 1.141 157 G CA 0.329 45.152 45.100 -0.463 0.000 0.806 157 G HN 0.356 nan 8.290 nan 0.000 0.533 158 F N -0.793 119.272 119.950 0.192 0.000 2.856 158 F HA 0.426 4.981 4.527 0.046 0.000 0.338 158 F C 0.428 176.335 175.800 0.178 0.000 1.100 158 F CA -1.036 57.060 58.000 0.159 0.000 1.150 158 F CB 0.288 39.389 39.000 0.168 0.000 1.101 158 F HN -0.098 nan 8.300 nan 0.000 0.548 159 L N 2.300 123.565 121.223 0.069 0.000 2.562 159 L HA 0.487 4.854 4.340 0.046 0.000 0.271 159 L C 0.073 176.905 176.870 -0.064 0.000 1.167 159 L CA 0.090 54.832 54.840 -0.163 0.000 0.917 159 L CB 0.140 41.755 42.059 -0.741 0.000 1.187 159 L HN 0.138 nan 8.230 nan 0.000 0.482 160 A N 6.450 129.302 122.820 0.054 0.000 2.355 160 A HA 0.677 5.024 4.320 0.046 0.000 0.317 160 A C -0.931 176.647 177.584 -0.011 0.000 1.094 160 A CA -0.601 51.449 52.037 0.020 0.000 0.764 160 A CB 1.138 20.181 19.000 0.072 0.000 1.230 160 A HN 0.716 nan 8.150 nan 0.000 0.448 161 L N 3.709 124.907 121.223 -0.041 0.000 2.371 161 L HA 0.309 4.676 4.340 0.046 0.000 0.262 161 L C -2.425 174.441 176.870 -0.005 0.000 1.054 161 L CA -1.840 52.984 54.840 -0.028 0.000 0.924 161 L CB 1.456 43.484 42.059 -0.052 0.000 1.295 161 L HN 0.424 nan 8.230 nan 0.000 0.441 162 P HA 0.051 nan 4.420 nan 0.000 0.264 162 P C 0.980 178.287 177.300 0.013 0.000 1.183 162 P CA 0.786 63.895 63.100 0.016 0.000 0.763 162 P CB 0.934 32.643 31.700 0.015 0.000 0.807 163 G N 1.688 110.500 108.800 0.019 0.000 2.284 163 G HA2 -0.268 3.720 3.960 0.046 0.000 0.247 163 G HA3 -0.268 3.720 3.960 0.046 0.000 0.247 163 G C 0.450 175.361 174.900 0.017 0.000 1.012 163 G CA 0.330 45.441 45.100 0.017 0.000 0.618 163 G HN 0.836 nan 8.290 nan 0.000 0.521 164 S N 0.195 115.903 115.700 0.014 0.000 2.579 164 S HA 0.508 5.005 4.470 0.046 0.000 0.275 164 S C 1.258 175.874 174.600 0.026 0.000 1.345 164 S CA 0.541 58.750 58.200 0.015 0.000 1.031 164 S CB 1.735 64.938 63.200 0.005 0.000 0.892 164 S HN 0.471 nan 8.310 nan 0.000 0.529 165 R N 0.785 121.302 120.500 0.028 0.000 2.193 165 R HA -0.017 4.350 4.340 0.046 0.000 0.213 165 R C 1.018 177.346 176.300 0.047 0.000 1.055 165 R CA 1.217 57.339 56.100 0.036 0.000 0.995 165 R CB -0.050 30.269 30.300 0.032 0.000 0.893 165 R HN 0.928 nan 8.270 nan 0.000 0.459 166 E N -1.197 119.033 120.200 0.050 0.000 2.526 166 E HA 0.122 4.499 4.350 0.046 0.000 0.208 166 E C -0.483 176.183 176.600 0.109 0.000 0.997 166 E CA 0.065 56.511 56.400 0.077 0.000 0.961 166 E CB 1.204 30.950 29.700 0.077 0.000 1.030 166 E HN 0.151 nan 8.360 nan 0.000 0.483 167 A N 2.465 125.322 122.820 0.063 0.000 3.422 167 A HA 0.361 4.708 4.320 0.046 0.000 0.271 167 A C -2.348 175.252 177.584 0.027 0.000 1.104 167 A CA -0.822 51.242 52.037 0.046 0.000 0.899 167 A CB 0.798 19.730 19.000 -0.114 0.000 1.309 167 A HN -0.057 nan 8.150 nan 0.000 0.580 168 P HA 0.197 nan 4.420 nan 0.000 0.245 168 P C 0.932 178.263 177.300 0.053 0.000 1.212 168 P CA 1.574 64.704 63.100 0.049 0.000 0.774 168 P CB 0.035 31.772 31.700 0.061 0.000 0.999 169 G N 1.312 110.143 108.800 0.050 0.000 2.814 169 G HA2 -0.237 3.751 3.960 0.046 0.000 0.677 169 G HA3 -0.237 3.751 3.960 0.046 0.000 0.677 169 G C -0.004 174.915 174.900 0.032 0.000 1.429 169 G CA -0.270 44.866 45.100 0.059 0.000 0.868 169 G HN 0.182 nan 8.290 nan 0.000 0.553 170 N N -2.475 116.249 118.700 0.041 0.000 2.753 170 N HA -0.280 4.487 4.740 0.046 0.000 0.251 170 N C 1.790 177.189 175.510 -0.184 0.000 1.097 170 N CA 2.400 55.411 53.050 -0.065 0.000 0.786 170 N CB -1.724 36.635 38.487 -0.215 0.000 1.137 170 N HN 1.889 nan 8.380 nan 0.000 0.566 171 V N -2.864 116.928 119.914 -0.203 0.000 2.453 171 V HA 0.036 4.183 4.120 0.046 0.000 0.247 171 V C 2.382 178.369 176.094 -0.179 0.000 1.048 171 V CA 2.196 64.422 62.300 -0.124 0.000 1.049 171 V CB -0.992 30.804 31.823 -0.045 0.000 0.672 171 V HN 0.251 nan 8.190 nan 0.000 0.457 172 G N 0.680 109.172 108.800 -0.513 0.000 2.469 172 G HA2 -0.220 3.768 3.960 0.046 0.000 0.220 172 G HA3 -0.220 3.768 3.960 0.046 0.000 0.220 172 G C 1.586 176.503 174.900 0.029 0.000 1.136 172 G CA 1.440 46.377 45.100 -0.272 0.000 0.759 172 G HN 0.546 nan 8.290 nan 0.000 0.562 173 L N -0.320 120.865 121.223 -0.063 0.000 2.156 173 L HA 0.087 4.454 4.340 0.046 0.000 0.208 173 L C 2.827 179.723 176.870 0.044 0.000 1.095 173 L CA 0.326 55.062 54.840 -0.174 0.000 0.770 173 L CB -0.259 41.292 42.059 -0.846 0.000 0.914 173 L HN 0.192 nan 8.230 nan 0.000 0.439 174 L N -0.721 120.543 121.223 0.069 0.000 2.156 174 L HA -0.176 4.191 4.340 0.046 0.000 0.208 174 L C 2.143 179.153 176.870 0.232 0.000 1.095 174 L CA 0.720 55.702 54.840 0.236 0.000 0.770 174 L CB -0.552 41.623 42.059 0.193 0.000 0.914 174 L HN 0.235 nan 8.230 nan 0.000 0.439 175 D N 0.122 120.647 120.400 0.209 0.000 2.106 175 D HA -0.226 4.441 4.640 0.046 0.000 0.191 175 D C 2.268 178.719 176.300 0.251 0.000 0.997 175 D CA 1.316 55.520 54.000 0.340 0.000 0.834 175 D CB -0.200 40.807 40.800 0.344 0.000 0.956 175 D HN 0.355 nan 8.370 nan 0.000 0.448 176 Q N -0.004 119.873 119.800 0.128 0.000 2.030 176 Q HA -0.177 4.190 4.340 0.046 0.000 0.204 176 Q C 2.314 178.288 176.000 -0.043 0.000 0.986 176 Q CA 1.392 57.177 55.803 -0.030 0.000 0.843 176 Q CB -0.153 28.595 28.738 0.017 0.000 0.904 176 Q HN 0.208 nan 8.270 nan 0.000 0.420 177 R N 0.504 121.122 120.500 0.197 0.000 2.105 177 R HA -0.199 4.168 4.340 0.046 0.000 0.239 177 R C 2.165 178.524 176.300 0.099 0.000 1.135 177 R CA 1.177 57.380 56.100 0.172 0.000 0.967 177 R CB -0.235 30.296 30.300 0.385 0.000 0.861 177 R HN 0.230 nan 8.270 nan 0.000 0.442 178 L N 0.628 121.937 121.223 0.144 0.000 2.056 178 L HA 0.010 4.378 4.340 0.046 0.000 0.207 178 L C 2.305 179.211 176.870 0.060 0.000 1.078 178 L CA 2.049 57.005 54.840 0.193 0.000 0.749 178 L CB -0.699 41.577 42.059 0.361 0.000 0.901 178 L HN 0.261 nan 8.230 nan 0.000 0.433 179 A N -0.750 121.850 122.820 -0.366 0.000 1.902 179 A HA -0.178 4.169 4.320 0.046 0.000 0.217 179 A C 2.124 179.648 177.584 -0.100 0.000 1.181 179 A CA 1.880 53.540 52.037 -0.627 0.000 0.623 179 A CB -0.831 17.570 19.000 -0.998 0.000 0.818 179 A HN 0.408 nan 8.150 nan 0.000 0.443 180 L N -0.514 120.650 121.223 -0.098 0.000 2.012 180 L HA -0.217 4.150 4.340 0.046 0.000 0.210 180 L C 2.654 179.572 176.870 0.079 0.000 1.073 180 L CA 2.195 57.024 54.840 -0.017 0.000 0.748 180 L CB -1.074 40.922 42.059 -0.105 0.000 0.891 180 L HN 0.466 nan 8.230 nan 0.000 0.431 181 Q N -2.307 117.553 119.800 0.099 0.000 2.124 181 Q HA -0.262 4.105 4.340 0.046 0.000 0.202 181 Q C 2.120 178.216 176.000 0.160 0.000 0.977 181 Q CA 1.874 57.749 55.803 0.120 0.000 0.850 181 Q CB -0.337 28.480 28.738 0.132 0.000 0.901 181 Q HN 0.589 nan 8.270 nan 0.000 0.429 182 W N -0.350 120.971 121.300 0.035 0.000 2.358 182 W HA -0.202 4.486 4.660 0.045 0.000 0.303 182 W C 1.725 178.284 176.519 0.066 0.000 1.208 182 W CA 1.240 58.631 57.345 0.076 0.000 1.274 182 W CB -0.147 29.369 29.460 0.092 0.000 1.138 182 W HN -0.127 nan 8.180 nan 0.000 0.515 183 V N 0.925 121.050 119.914 0.352 0.000 2.287 183 V HA -0.365 3.782 4.120 0.046 0.000 0.248 183 V C 2.565 178.674 176.094 0.025 0.000 1.053 183 V CA 2.119 64.534 62.300 0.193 0.000 1.027 183 V CB -1.098 30.858 31.823 0.221 0.000 0.646 183 V HN 0.192 nan 8.190 nan 0.000 0.447 184 Q N -0.066 119.759 119.800 0.041 0.000 2.061 184 Q HA -0.236 4.131 4.340 0.046 0.000 0.204 184 Q C 2.223 178.195 176.000 -0.047 0.000 0.984 184 Q CA 1.849 57.663 55.803 0.019 0.000 0.846 184 Q CB -0.350 28.408 28.738 0.033 0.000 0.902 184 Q HN 0.714 nan 8.270 nan 0.000 0.421 185 E N -0.600 119.532 120.200 -0.112 0.000 2.285 185 E HA -0.020 4.358 4.350 0.046 0.000 0.194 185 E C 1.033 177.474 176.600 -0.265 0.000 0.997 185 E CA 0.308 56.608 56.400 -0.165 0.000 0.845 185 E CB 0.314 29.916 29.700 -0.162 0.000 0.782 185 E HN 0.293 nan 8.360 nan 0.000 0.491 186 N N -0.512 117.945 118.700 -0.405 0.000 2.166 186 N HA 0.018 4.785 4.740 0.046 0.000 0.222 186 N C 1.268 176.663 175.510 -0.191 0.000 1.282 186 N CA 0.027 52.774 53.050 -0.506 0.000 0.890 186 N CB 0.527 38.216 38.487 -1.330 0.000 1.114 186 N HN 0.034 nan 8.380 nan 0.000 0.494 187 I N 2.440 122.949 120.570 -0.101 0.000 2.394 187 I HA -0.050 4.148 4.170 0.046 0.000 0.251 187 I C 2.203 178.426 176.117 0.177 0.000 1.136 187 I CA 0.618 61.989 61.300 0.119 0.000 1.425 187 I CB -0.314 37.746 38.000 0.100 0.000 1.079 187 I HN 0.060 nan 8.210 nan 0.000 0.425 188 A N 0.501 123.357 122.820 0.059 0.000 1.917 188 A HA -0.250 4.098 4.320 0.046 0.000 0.219 188 A C 2.507 180.096 177.584 0.009 0.000 1.182 188 A CA 2.043 54.098 52.037 0.030 0.000 0.633 188 A CB -1.315 17.677 19.000 -0.014 0.000 0.819 188 A HN 0.482 nan 8.150 nan 0.000 0.448 189 A N -1.768 121.021 122.820 -0.051 0.000 2.076 189 A HA -0.004 4.343 4.320 0.046 0.000 0.220 189 A C 1.606 178.987 177.584 -0.337 0.000 1.160 189 A CA 1.446 53.352 52.037 -0.217 0.000 0.653 189 A CB -0.687 18.106 19.000 -0.344 0.000 0.801 189 A HN 0.523 nan 8.150 nan 0.000 0.455 190 F N -1.427 118.462 119.950 -0.101 0.000 2.727 190 F HA 0.376 4.931 4.527 0.046 0.000 0.302 190 F C 1.839 177.643 175.800 0.006 0.000 1.097 190 F CA 0.505 58.458 58.000 -0.078 0.000 1.330 190 F CB 0.213 39.180 39.000 -0.056 0.000 1.084 190 F HN 0.334 nan 8.300 nan 0.000 0.578 191 G N 0.213 109.096 108.800 0.138 0.000 2.176 191 G HA2 -0.225 3.763 3.960 0.046 0.000 0.253 191 G HA3 -0.225 3.763 3.960 0.046 0.000 0.253 191 G C 0.791 175.764 174.900 0.121 0.000 0.979 191 G CA -0.185 44.977 45.100 0.103 0.000 0.641 191 G HN 0.723 nan 8.290 nan 0.000 0.530 192 G N -0.381 108.519 108.800 0.165 0.000 2.527 192 G HA2 0.427 4.414 3.960 0.046 0.000 0.248 192 G HA3 0.427 4.414 3.960 0.046 0.000 0.248 192 G C -0.560 174.398 174.900 0.097 0.000 1.231 192 G CA 0.455 45.639 45.100 0.140 0.000 0.838 192 G HN 0.241 nan 8.290 nan 0.000 0.570 193 D N 1.591 122.039 120.400 0.081 0.000 2.412 193 D HA 0.278 4.945 4.640 0.046 0.000 0.224 193 D C -1.150 175.193 176.300 0.072 0.000 1.093 193 D CA -2.345 51.685 54.000 0.051 0.000 0.850 193 D CB 1.896 42.708 40.800 0.021 0.000 1.046 193 D HN 0.044 nan 8.370 nan 0.000 0.507 194 P HA -0.102 nan 4.420 nan 0.000 0.225 194 P C 1.253 178.669 177.300 0.194 0.000 1.148 194 P CA 0.723 63.894 63.100 0.117 0.000 0.779 194 P CB 0.257 31.999 31.700 0.070 0.000 0.780 195 M N -1.288 118.342 119.600 0.050 0.000 2.561 195 M HA 0.066 4.574 4.480 0.046 0.000 0.238 195 M C 0.685 176.608 176.300 -0.628 0.000 1.131 195 M CA 0.492 55.698 55.300 -0.158 0.000 1.046 195 M CB 0.164 32.675 32.600 -0.148 0.000 1.532 195 M HN -0.200 nan 8.290 nan 0.000 0.497 196 S N 0.793 116.373 115.700 -0.200 0.000 2.279 196 S HA 0.427 4.924 4.470 0.046 0.000 0.176 196 S C -1.026 173.695 174.600 0.201 0.000 1.554 196 S CA -0.568 57.561 58.200 -0.118 0.000 1.242 196 S CB 0.425 63.567 63.200 -0.097 0.000 1.163 196 S HN -0.028 nan 8.310 nan 0.000 0.449 197 V N 4.181 124.443 119.914 0.581 0.000 2.378 197 V HA 0.493 4.641 4.120 0.046 0.000 0.288 197 V C 0.022 176.315 176.094 0.332 0.000 1.016 197 V CA -0.475 62.042 62.300 0.361 0.000 0.840 197 V CB 1.759 33.756 31.823 0.290 0.000 0.994 197 V HN 0.733 nan 8.190 nan 0.000 0.431 198 T N 6.673 121.377 114.554 0.249 0.000 2.756 198 T HA 0.533 4.911 4.350 0.046 0.000 0.290 198 T C -0.099 174.771 174.700 0.283 0.000 0.985 198 T CA -0.335 61.920 62.100 0.259 0.000 0.955 198 T CB 0.684 69.664 68.868 0.187 0.000 0.930 198 T HN 0.336 nan 8.240 nan 0.000 0.451 199 L N 5.358 126.717 121.223 0.228 0.000 2.360 199 L HA 0.529 4.896 4.340 0.046 0.000 0.276 199 L C -0.285 176.789 176.870 0.340 0.000 1.121 199 L CA -0.581 54.335 54.840 0.127 0.000 0.845 199 L CB 0.019 41.913 42.059 -0.275 0.000 1.143 199 L HN 0.624 nan 8.230 nan 0.000 0.452 200 F N 1.080 121.096 119.950 0.110 0.000 2.588 200 F HA 0.972 5.526 4.527 0.045 0.000 0.314 200 F C -0.188 175.610 175.800 -0.003 0.000 1.069 200 F CA -1.582 56.524 58.000 0.177 0.000 0.931 200 F CB 1.677 40.928 39.000 0.417 0.000 1.260 200 F HN 0.422 nan 8.300 nan 0.000 0.465 201 G N 1.052 109.738 108.800 -0.189 0.000 2.601 201 G HA2 0.494 4.481 3.960 0.046 0.000 0.291 201 G HA3 0.494 4.481 3.960 0.046 0.000 0.291 201 G C -2.440 172.261 174.900 -0.332 0.000 1.456 201 G CA -0.728 43.861 45.100 -0.852 0.000 0.804 201 G HN 0.899 nan 8.290 nan 0.000 0.499 205 G N 0.552 109.055 108.800 -0.495 0.000 2.408 205 G HA2 0.144 4.132 3.960 0.046 0.000 0.217 205 G HA3 0.144 4.132 3.960 0.046 0.000 0.217 205 G C 1.623 176.300 174.900 -0.372 0.000 1.150 205 G CA 1.745 46.523 45.100 -0.538 0.000 0.776 205 G HN 1.184 nan 8.290 nan 0.000 0.542 206 A N 1.341 124.029 122.820 -0.221 0.000 1.855 206 A HA 0.295 4.643 4.320 0.046 0.000 0.215 206 A C 2.853 180.408 177.584 -0.048 0.000 1.191 206 A CA 2.221 54.208 52.037 -0.083 0.000 0.613 206 A CB -0.958 18.059 19.000 0.028 0.000 0.829 206 A HN 0.812 nan 8.150 nan 0.000 0.442 207 A N -0.220 122.611 122.820 0.018 0.000 1.917 207 A HA -0.148 4.199 4.320 0.046 0.000 0.219 207 A C 2.442 180.035 177.584 0.016 0.000 1.182 207 A CA 2.376 54.425 52.037 0.020 0.000 0.633 207 A CB -0.945 18.135 19.000 0.133 0.000 0.819 207 A HN 0.495 nan 8.150 nan 0.000 0.448 208 S N -0.512 115.184 115.700 -0.006 0.000 2.356 208 S HA -0.125 4.372 4.470 0.046 0.000 0.223 208 S C 1.900 176.442 174.600 -0.097 0.000 1.032 208 S CA 1.333 59.479 58.200 -0.090 0.000 1.005 208 S CB -0.652 62.416 63.200 -0.220 0.000 0.867 208 S HN 0.348 nan 8.310 nan 0.000 0.449 209 V N 2.096 121.957 119.914 -0.088 0.000 2.252 209 V HA -0.221 3.927 4.120 0.046 0.000 0.249 209 V C 2.714 178.781 176.094 -0.046 0.000 1.056 209 V CA 2.082 64.338 62.300 -0.073 0.000 1.022 209 V CB -1.704 30.054 31.823 -0.108 0.000 0.641 209 V HN 0.597 nan 8.190 nan 0.000 0.445 210 G N -0.800 107.971 108.800 -0.048 0.000 2.556 210 G HA2 -0.386 3.601 3.960 0.046 0.000 0.220 210 G HA3 -0.386 3.601 3.960 0.046 0.000 0.220 210 G C 1.629 176.525 174.900 -0.006 0.000 1.156 210 G CA 1.678 46.753 45.100 -0.042 0.000 0.766 210 G HN 0.454 nan 8.290 nan 0.000 0.583 211 M N -0.345 119.235 119.600 -0.034 0.000 2.159 211 M HA -0.014 4.494 4.480 0.046 0.000 0.263 211 M C 2.343 178.707 176.300 0.106 0.000 1.063 211 M CA 1.089 56.405 55.300 0.027 0.000 1.110 211 M CB -0.244 32.332 32.600 -0.041 0.000 1.374 211 M HN 0.259 nan 8.290 nan 0.000 0.411 212 H N -0.337 118.835 119.070 0.169 0.000 2.387 212 H HA -0.056 4.527 4.556 0.045 0.000 0.299 212 H C 2.143 177.652 175.328 0.302 0.000 1.090 212 H CA 1.576 57.721 56.048 0.162 0.000 1.332 212 H CB -0.446 29.239 29.762 -0.129 0.000 1.386 212 H HN 0.419 nan 8.280 nan 0.000 0.516 213 I N 0.695 121.491 120.570 0.377 0.000 2.286 213 I HA -0.237 3.960 4.170 0.046 0.000 0.248 213 I C 1.850 178.146 176.117 0.299 0.000 1.115 213 I CA 1.067 62.615 61.300 0.413 0.000 1.392 213 I CB -0.068 38.038 38.000 0.178 0.000 1.065 213 I HN 0.114 nan 8.210 nan 0.000 0.418 214 L N -0.891 120.456 121.223 0.207 0.000 2.607 214 L HA 0.138 4.505 4.340 0.046 0.000 0.228 214 L C 0.739 177.662 176.870 0.088 0.000 1.123 214 L CA 0.017 54.966 54.840 0.181 0.000 0.890 214 L CB 0.090 42.228 42.059 0.133 0.000 1.103 214 L HN 0.016 nan 8.230 nan 0.000 0.468 215 S N -0.255 115.461 115.700 0.027 0.000 2.596 215 S HA 0.321 4.818 4.470 0.046 0.000 0.318 215 S C 0.793 175.320 174.600 -0.121 0.000 1.097 215 S CA -0.611 57.472 58.200 -0.194 0.000 1.080 215 S CB 1.550 64.306 63.200 -0.740 0.000 0.991 215 S HN 0.188 nan 8.310 nan 0.000 0.471 216 L N 5.844 127.000 121.223 -0.110 0.000 1.989 216 L HA -0.010 4.357 4.340 0.046 0.000 0.211 216 L C -0.862 175.969 176.870 -0.064 0.000 1.071 216 L CA 1.689 56.490 54.840 -0.065 0.000 0.749 216 L CB -0.950 41.072 42.059 -0.061 0.000 0.890 216 L HN 0.520 nan 8.230 nan 0.000 0.431 217 P HA -0.153 nan 4.420 nan 0.000 0.217 217 P C 1.615 178.916 177.300 0.002 0.000 1.148 217 P CA 1.492 64.559 63.100 -0.055 0.000 0.828 217 P CB 0.069 31.721 31.700 -0.080 0.000 0.783 218 S N -1.159 114.561 115.700 0.033 0.000 2.406 218 S HA -0.050 4.448 4.470 0.046 0.000 0.228 218 S C 1.841 176.593 174.600 0.253 0.000 1.020 218 S CA 0.658 58.993 58.200 0.225 0.000 0.965 218 S CB -0.450 63.017 63.200 0.446 0.000 0.798 218 S HN 0.082 nan 8.310 nan 0.000 0.488 219 R N 2.003 122.549 120.500 0.076 0.000 2.127 219 R HA -0.029 4.338 4.340 0.046 0.000 0.238 219 R C 2.249 178.350 176.300 -0.332 0.000 1.134 219 R CA 1.430 57.406 56.100 -0.207 0.000 0.975 219 R CB -1.278 28.947 30.300 -0.125 0.000 0.865 219 R HN 0.584 nan 8.270 nan 0.000 0.447 220 S N -0.034 115.576 115.700 -0.150 0.000 2.607 220 S HA 0.083 4.580 4.470 0.046 0.000 0.224 220 S C 1.660 176.179 174.600 -0.135 0.000 0.969 220 S CA 0.249 58.365 58.200 -0.138 0.000 0.927 220 S CB -0.125 63.040 63.200 -0.058 0.000 0.772 220 S HN 0.222 nan 8.310 nan 0.000 0.533 221 L N 0.410 121.585 121.223 -0.080 0.000 2.693 221 L HA 0.500 4.868 4.340 0.046 0.000 0.235 221 L C -0.095 176.809 176.870 0.057 0.000 1.127 221 L CA -0.390 54.464 54.840 0.025 0.000 0.914 221 L CB -0.045 42.079 42.059 0.109 0.000 1.193 221 L HN 0.480 nan 8.230 nan 0.000 0.502 222 F N -4.067 115.663 119.950 -0.367 0.000 2.741 222 F HA 0.465 5.020 4.527 0.045 0.000 0.313 222 F C 0.252 175.654 175.800 -0.662 0.000 1.153 222 F CA -1.014 56.722 58.000 -0.439 0.000 0.931 222 F CB 0.799 39.714 39.000 -0.142 0.000 1.335 222 F HN -0.145 nan 8.300 nan 0.000 0.460 223 H N -0.601 118.487 119.070 0.031 0.000 3.205 223 H HA 0.445 5.029 4.556 0.045 0.000 0.252 223 H C -0.129 175.205 175.328 0.010 0.000 1.015 223 H CA -0.038 55.959 56.048 -0.085 0.000 1.192 223 H CB 0.995 30.725 29.762 -0.053 0.000 1.474 223 H HN 0.440 nan 8.280 nan 0.000 0.484 224 R N 0.285 120.959 120.500 0.289 0.000 2.808 224 R HA 0.727 5.094 4.340 0.046 0.000 0.272 224 R C -1.309 175.283 176.300 0.487 0.000 0.995 224 R CA -0.670 55.593 56.100 0.272 0.000 0.917 224 R CB 2.891 33.161 30.300 -0.052 0.000 1.217 224 R HN 0.135 nan 8.270 nan 0.000 0.471 225 A N 1.123 124.243 122.820 0.499 0.000 2.475 225 A HA 0.721 5.068 4.320 0.046 0.000 0.301 225 A C -1.428 176.320 177.584 0.274 0.000 1.059 225 A CA -0.624 51.623 52.037 0.351 0.000 0.710 225 A CB 1.924 21.084 19.000 0.267 0.000 1.288 225 A HN 0.325 nan 8.150 nan 0.000 0.408 226 V N 2.150 122.175 119.914 0.185 0.000 2.482 226 V HA 0.432 4.579 4.120 0.046 0.000 0.295 226 V C -1.276 174.915 176.094 0.162 0.000 1.026 226 V CA -0.227 62.114 62.300 0.069 0.000 0.856 226 V CB 1.246 33.130 31.823 0.101 0.000 1.001 226 V HN 0.679 nan 8.190 nan 0.000 0.424 227 L N 5.292 126.574 121.223 0.099 0.000 2.301 227 L HA 0.515 4.882 4.340 0.046 0.000 0.278 227 L C 0.123 177.095 176.870 0.171 0.000 1.022 227 L CA 0.053 54.947 54.840 0.091 0.000 0.854 227 L CB 1.352 43.416 42.059 0.009 0.000 1.226 227 L HN 0.632 nan 8.230 nan 0.000 0.429 228 Q N 1.757 121.730 119.800 0.288 0.000 2.331 228 Q HA 0.431 4.798 4.340 0.046 0.000 0.257 228 Q C 0.445 176.608 176.000 0.271 0.000 0.957 228 Q CA -0.480 55.572 55.803 0.415 0.000 0.923 228 Q CB 1.152 30.251 28.738 0.603 0.000 1.212 228 Q HN 0.588 nan 8.270 nan 0.000 0.443 229 S N 0.849 116.687 115.700 0.230 0.000 3.587 229 S HA -0.172 4.325 4.470 0.046 0.000 0.337 229 S C 0.048 174.802 174.600 0.256 0.000 1.119 229 S CA 0.631 58.973 58.200 0.237 0.000 0.976 229 S CB -1.134 62.243 63.200 0.296 0.000 0.922 229 S HN 0.998 nan 8.310 nan 0.000 0.503 230 G N -0.617 108.310 108.800 0.211 0.000 2.579 230 G HA2 0.660 4.647 3.960 0.046 0.000 0.292 230 G HA3 0.660 4.647 3.960 0.046 0.000 0.292 230 G C -0.970 173.992 174.900 0.104 0.000 1.484 230 G CA 0.227 45.513 45.100 0.309 0.000 0.813 230 G HN 0.926 nan 8.290 nan 0.000 0.515 231 T N -1.502 113.046 114.554 -0.011 0.000 2.889 231 T HA 0.688 5.065 4.350 0.046 0.000 0.315 231 T C -2.398 172.136 174.700 -0.277 0.000 1.291 231 T CA -1.297 60.716 62.100 -0.144 0.000 1.028 231 T CB 2.970 71.734 68.868 -0.174 0.000 1.235 231 T HN 0.284 nan 8.240 nan 0.000 0.491 232 P HA -0.041 nan 4.420 nan 0.000 0.219 232 P C 0.311 177.440 177.300 -0.287 0.000 1.150 232 P CA 0.786 63.755 63.100 -0.218 0.000 0.814 232 P CB -0.043 31.586 31.700 -0.119 0.000 0.787 233 N N 0.381 118.924 118.700 -0.262 0.000 2.364 233 N HA 0.300 5.067 4.740 0.046 0.000 0.264 233 N C 0.791 176.067 175.510 -0.390 0.000 1.263 233 N CA 0.480 53.376 53.050 -0.256 0.000 0.959 233 N CB -0.003 38.384 38.487 -0.167 0.000 1.204 233 N HN 0.183 nan 8.380 nan 0.000 0.550 234 G N -0.908 107.691 108.800 -0.335 0.000 2.710 234 G HA2 -0.146 3.842 3.960 0.046 0.000 0.668 234 G HA3 -0.146 3.842 3.960 0.046 0.000 0.668 234 G C -2.132 172.480 174.900 -0.480 0.000 1.320 234 G CA -0.191 44.657 45.100 -0.421 0.000 0.860 234 G HN 0.547 nan 8.290 nan 0.000 0.538 235 P HA 0.080 nan 4.420 nan 0.000 0.231 235 P C 1.454 178.639 177.300 -0.192 0.000 1.168 235 P CA 2.170 65.093 63.100 -0.295 0.000 0.779 235 P CB -0.055 31.433 31.700 -0.353 0.000 0.844 236 W N -1.923 119.270 121.300 -0.180 0.000 2.868 236 W HA 0.588 5.275 4.660 0.045 0.000 0.320 236 W C 1.029 177.608 176.519 0.100 0.000 1.076 236 W CA 0.393 57.708 57.345 -0.052 0.000 1.576 236 W CB -0.716 28.736 29.460 -0.014 0.000 1.030 236 W HN -0.171 nan 8.180 nan 0.000 0.558 237 A N 1.935 124.411 122.820 -0.573 0.000 2.123 237 A HA 0.148 4.495 4.320 0.046 0.000 0.214 237 A C 1.091 178.512 177.584 -0.271 0.000 1.152 237 A CA 1.744 53.532 52.037 -0.414 0.000 0.728 237 A CB -0.719 17.776 19.000 -0.840 0.000 0.814 237 A HN 0.215 nan 8.150 nan 0.000 0.464 238 T N -2.963 111.446 114.554 -0.241 0.000 2.883 238 T HA 0.612 4.989 4.350 0.046 0.000 0.301 238 T C -0.661 173.956 174.700 -0.138 0.000 1.158 238 T CA -0.126 61.848 62.100 -0.210 0.000 1.007 238 T CB 1.465 70.220 68.868 -0.188 0.000 1.186 238 T HN 0.826 nan 8.240 nan 0.000 0.499 239 V N -0.919 118.925 119.914 -0.117 0.000 3.001 239 V HA 0.899 5.047 4.120 0.046 0.000 0.314 239 V C 0.419 176.471 176.094 -0.070 0.000 1.099 239 V CA -0.938 61.310 62.300 -0.087 0.000 0.989 239 V CB 1.310 33.082 31.823 -0.084 0.000 1.040 239 V HN 1.344 nan 8.190 nan 0.000 0.434 240 S N 1.718 117.383 115.700 -0.058 0.000 2.596 240 S HA 0.525 5.022 4.470 0.046 0.000 0.260 240 S C 1.432 176.014 174.600 -0.031 0.000 1.336 240 S CA 0.119 58.293 58.200 -0.042 0.000 0.993 240 S CB 0.948 64.124 63.200 -0.040 0.000 0.923 240 S HN 1.869 nan 8.310 nan 0.000 0.567 241 A N 1.820 124.629 122.820 -0.019 0.000 1.851 241 A HA 0.079 4.426 4.320 0.046 0.000 0.216 241 A C 2.321 179.898 177.584 -0.013 0.000 1.195 241 A CA 1.901 53.933 52.037 -0.008 0.000 0.622 241 A CB -1.998 17.001 19.000 -0.003 0.000 0.831 241 A HN 1.206 nan 8.150 nan 0.000 0.444 242 G N -0.591 108.198 108.800 -0.018 0.000 2.469 242 G HA2 -0.314 3.674 3.960 0.046 0.000 0.219 242 G HA3 -0.314 3.674 3.960 0.046 0.000 0.219 242 G C 1.483 176.366 174.900 -0.029 0.000 1.150 242 G CA 1.596 46.683 45.100 -0.022 0.000 0.763 242 G HN 0.604 nan 8.290 nan 0.000 0.561 243 E N 0.790 120.967 120.200 -0.039 0.000 2.107 243 E HA 0.133 4.511 4.350 0.046 0.000 0.191 243 E C 2.658 179.222 176.600 -0.059 0.000 0.982 243 E CA 1.315 57.681 56.400 -0.056 0.000 0.809 243 E CB -0.504 29.154 29.700 -0.070 0.000 0.756 243 E HN 0.292 nan 8.360 nan 0.000 0.459 244 A N 0.990 123.789 122.820 -0.035 0.000 1.858 244 A HA -0.197 4.150 4.320 0.046 0.000 0.216 244 A C 2.290 179.890 177.584 0.027 0.000 1.190 244 A CA 1.828 53.865 52.037 -0.000 0.000 0.617 244 A CB -0.699 18.321 19.000 0.034 0.000 0.827 244 A HN 0.282 nan 8.150 nan 0.000 0.443 245 R N -0.497 120.009 120.500 0.010 0.000 2.113 245 R HA -0.216 4.151 4.340 0.046 0.000 0.244 245 R C 2.494 178.795 176.300 0.002 0.000 1.142 245 R CA 2.024 58.127 56.100 0.005 0.000 0.953 245 R CB -0.345 29.952 30.300 -0.006 0.000 0.860 245 R HN 0.549 nan 8.270 nan 0.000 0.438 246 R N 0.450 120.941 120.500 -0.015 0.000 2.080 246 R HA -0.150 4.217 4.340 0.046 0.000 0.236 246 R C 2.217 178.507 176.300 -0.018 0.000 1.137 246 R CA 1.985 58.071 56.100 -0.024 0.000 0.943 246 R CB -0.158 30.118 30.300 -0.041 0.000 0.846 246 R HN 0.312 nan 8.270 nan 0.000 0.431 247 R N -0.160 120.317 120.500 -0.037 0.000 2.092 247 R HA -0.037 4.330 4.340 0.046 0.000 0.231 247 R C 2.371 178.766 176.300 0.157 0.000 1.119 247 R CA 1.191 57.261 56.100 -0.050 0.000 0.970 247 R CB -0.324 29.788 30.300 -0.313 0.000 0.864 247 R HN 0.256 nan 8.270 nan 0.000 0.440 248 A N 1.142 124.087 122.820 0.209 0.000 1.873 248 A HA -0.189 4.158 4.320 0.046 0.000 0.215 248 A C 2.365 179.978 177.584 0.048 0.000 1.186 248 A CA 2.082 54.227 52.037 0.180 0.000 0.616 248 A CB -1.073 17.963 19.000 0.060 0.000 0.823 248 A HN 0.478 nan 8.150 nan 0.000 0.442 249 T N -1.926 112.640 114.554 0.020 0.000 2.881 249 T HA -0.118 4.259 4.350 0.046 0.000 0.270 249 T C 1.738 176.440 174.700 0.005 0.000 1.068 249 T CA 1.574 63.672 62.100 -0.003 0.000 1.131 249 T CB -0.383 68.478 68.868 -0.011 0.000 0.871 249 T HN 0.217 nan 8.240 nan 0.000 0.479 250 L N 0.503 121.739 121.223 0.022 0.000 2.044 250 L HA 0.298 4.666 4.340 0.046 0.000 0.205 250 L C 2.352 179.242 176.870 0.033 0.000 1.075 250 L CA 1.475 56.325 54.840 0.016 0.000 0.747 250 L CB -1.131 40.932 42.059 0.007 0.000 0.903 250 L HN 0.369 nan 8.230 nan 0.000 0.435 251 L N -0.126 121.156 121.223 0.098 0.000 2.012 251 L HA -0.156 4.212 4.340 0.046 0.000 0.210 251 L C 2.525 179.402 176.870 0.013 0.000 1.073 251 L CA 2.050 56.955 54.840 0.109 0.000 0.748 251 L CB -0.776 41.412 42.059 0.216 0.000 0.891 251 L HN 0.304 nan 8.230 nan 0.000 0.431 252 A N -0.439 122.376 122.820 -0.008 0.000 1.883 252 A HA -0.284 4.064 4.320 0.046 0.000 0.217 252 A C 2.503 180.068 177.584 -0.033 0.000 1.186 252 A CA 2.009 54.029 52.037 -0.029 0.000 0.624 252 A CB -0.760 18.217 19.000 -0.038 0.000 0.822 252 A HN 0.501 nan 8.150 nan 0.000 0.444 253 R N -0.586 119.894 120.500 -0.032 0.000 2.096 253 R HA -0.132 4.235 4.340 0.046 0.000 0.240 253 R C 2.023 178.275 176.300 -0.080 0.000 1.139 253 R CA 1.824 57.899 56.100 -0.041 0.000 0.952 253 R CB -0.517 29.764 30.300 -0.032 0.000 0.854 253 R HN 0.576 nan 8.270 nan 0.000 0.436 254 L N 0.587 121.734 121.223 -0.127 0.000 2.353 254 L HA -0.113 4.254 4.340 0.046 0.000 0.220 254 L C 1.995 178.621 176.870 -0.408 0.000 1.133 254 L CA 0.685 55.337 54.840 -0.313 0.000 0.798 254 L CB -0.043 41.776 42.059 -0.401 0.000 0.922 254 L HN 0.189 nan 8.230 nan 0.000 0.445 255 V N -4.603 115.213 119.914 -0.165 0.000 3.578 255 V HA 0.524 4.671 4.120 0.046 0.000 0.290 255 V C 1.091 177.182 176.094 -0.004 0.000 1.376 255 V CA 0.262 62.542 62.300 -0.033 0.000 1.083 255 V CB 0.048 31.907 31.823 0.060 0.000 0.911 255 V HN 0.370 nan 8.190 nan 0.000 0.433 256 G N -0.277 108.508 108.800 -0.025 0.000 2.164 256 G HA2 -0.181 3.807 3.960 0.046 0.000 0.212 256 G HA3 -0.181 3.807 3.960 0.046 0.000 0.212 256 G C -0.084 174.815 174.900 -0.001 0.000 1.031 256 G CA -0.103 44.993 45.100 -0.007 0.000 0.730 256 G HN 0.741 nan 8.290 nan 0.000 0.501 266 D N 1.813 122.210 120.400 -0.006 0.000 2.108 266 D HA -0.139 4.529 4.640 0.046 0.000 0.190 266 D C 1.380 177.678 176.300 -0.004 0.000 0.995 266 D CA 2.346 56.340 54.000 -0.010 0.000 0.834 266 D CB -0.342 40.453 40.800 -0.008 0.000 0.967 266 D HN 0.695 nan 8.370 nan 0.000 0.446 267 T N 1.329 115.887 114.554 0.007 0.000 2.620 267 T HA -0.227 4.151 4.350 0.046 0.000 0.267 267 T C 1.804 176.514 174.700 0.018 0.000 1.044 267 T CA 1.707 63.817 62.100 0.016 0.000 1.161 267 T CB -0.334 68.544 68.868 0.017 0.000 0.862 267 T HN 0.318 nan 8.240 nan 0.000 0.438 268 E N 0.227 120.434 120.200 0.012 0.000 2.072 268 E HA -0.019 4.358 4.350 0.046 0.000 0.191 268 E C 2.292 178.899 176.600 0.012 0.000 0.985 268 E CA 0.670 57.077 56.400 0.013 0.000 0.801 268 E CB -0.249 29.456 29.700 0.009 0.000 0.750 268 E HN 0.371 nan 8.360 nan 0.000 0.452 269 L N 0.979 122.202 121.223 -0.000 0.000 1.994 269 L HA -0.203 4.164 4.340 0.046 0.000 0.208 269 L C 2.264 179.128 176.870 -0.011 0.000 1.071 269 L CA 1.309 56.142 54.840 -0.012 0.000 0.745 269 L CB -0.130 41.911 42.059 -0.029 0.000 0.892 269 L HN 0.081 nan 8.230 nan 0.000 0.431 270 I N -0.182 120.380 120.570 -0.013 0.000 2.179 270 I HA -0.308 3.889 4.170 0.046 0.000 0.242 270 I C 2.754 178.936 176.117 0.108 0.000 1.088 270 I CA 1.255 62.565 61.300 0.017 0.000 1.357 270 I CB -0.706 37.310 38.000 0.028 0.000 1.051 270 I HN 0.348 nan 8.210 nan 0.000 0.409 271 A N -0.145 122.720 122.820 0.075 0.000 1.892 271 A HA -0.345 4.003 4.320 0.046 0.000 0.218 271 A C 2.557 180.183 177.584 0.070 0.000 1.188 271 A CA 2.248 54.328 52.037 0.072 0.000 0.631 271 A CB -1.526 17.501 19.000 0.045 0.000 0.822 271 A HN 0.662 nan 8.150 nan 0.000 0.447 272 c N -0.572 118.061 118.600 0.054 0.000 2.432 272 c HA -0.041 4.556 4.570 0.046 0.000 0.277 272 c C 2.621 176.755 174.090 0.073 0.000 1.249 272 c CA 1.183 57.542 56.329 0.048 0.000 1.725 272 c CB -1.603 40.925 42.510 0.029 0.000 2.028 272 c HN 0.589 nan 8.230 nan 0.000 0.477 273 L N 0.317 121.599 121.223 0.100 0.000 2.083 273 L HA -0.127 4.240 4.340 0.046 0.000 0.209 273 L C 3.012 180.027 176.870 0.243 0.000 1.083 273 L CA 1.608 56.547 54.840 0.166 0.000 0.752 273 L CB -0.718 41.426 42.059 0.141 0.000 0.899 273 L HN 0.353 nan 8.230 nan 0.000 0.433 274 R N -0.402 120.248 120.500 0.249 0.000 2.200 274 R HA -0.153 4.214 4.340 0.046 0.000 0.234 274 R C 2.132 178.459 176.300 0.045 0.000 1.127 274 R CA 1.784 57.949 56.100 0.107 0.000 0.989 274 R CB -0.470 29.881 30.300 0.085 0.000 0.869 274 R HN 0.516 nan 8.270 nan 0.000 0.459 275 T N -1.637 112.950 114.554 0.057 0.000 3.148 275 T HA 0.087 4.465 4.350 0.046 0.000 0.253 275 T C 0.778 175.496 174.700 0.030 0.000 1.134 275 T CA -0.026 62.094 62.100 0.032 0.000 1.051 275 T CB 0.172 69.059 68.868 0.032 0.000 0.959 275 T HN -0.105 nan 8.240 nan 0.000 0.525 276 R N 2.475 123.004 120.500 0.047 0.000 2.254 276 R HA 0.402 4.769 4.340 0.046 0.000 0.318 276 R C -2.750 173.565 176.300 0.026 0.000 1.031 276 R CA -2.558 53.569 56.100 0.046 0.000 0.905 276 R CB 0.516 30.857 30.300 0.069 0.000 1.050 276 R HN 0.222 nan 8.270 nan 0.000 0.456 277 P HA -0.138 nan 4.420 nan 0.000 0.264 277 P C 0.405 177.675 177.300 -0.050 0.000 1.173 277 P CA 0.461 63.537 63.100 -0.039 0.000 0.761 277 P CB 0.538 32.225 31.700 -0.022 0.000 0.794 278 A N 2.989 125.687 122.820 -0.203 0.000 1.940 278 A HA -0.261 4.086 4.320 0.046 0.000 0.219 278 A C 2.114 179.597 177.584 -0.169 0.000 1.176 278 A CA 1.899 53.765 52.037 -0.284 0.000 0.631 278 A CB -1.076 17.194 19.000 -1.218 0.000 0.814 278 A HN 0.540 nan 8.150 nan 0.000 0.446 279 Q N 0.057 119.750 119.800 -0.180 0.000 2.291 279 Q HA -0.122 4.245 4.340 0.046 0.000 0.205 279 Q C 1.028 177.102 176.000 0.124 0.000 0.970 279 Q CA 1.657 57.554 55.803 0.157 0.000 0.876 279 Q CB -0.253 28.605 28.738 0.200 0.000 0.935 279 Q HN 0.645 nan 8.270 nan 0.000 0.455 280 D N -0.732 119.712 120.400 0.073 0.000 2.144 280 D HA -0.120 4.548 4.640 0.046 0.000 0.200 280 D C 1.435 177.801 176.300 0.110 0.000 0.978 280 D CA 0.653 54.703 54.000 0.083 0.000 0.833 280 D CB 0.007 40.865 40.800 0.098 0.000 0.961 280 D HN 0.225 nan 8.370 nan 0.000 0.470 281 L N 0.457 121.733 121.223 0.090 0.000 2.027 281 L HA -0.106 4.261 4.340 0.046 0.000 0.206 281 L C 2.514 179.427 176.870 0.071 0.000 1.074 281 L CA 0.948 55.803 54.840 0.025 0.000 0.745 281 L CB -0.924 41.028 42.059 -0.178 0.000 0.898 281 L HN -0.054 nan 8.230 nan 0.000 0.433 282 V N -0.446 119.571 119.914 0.171 0.000 2.515 282 V HA -0.252 3.895 4.120 0.046 0.000 0.250 282 V C 2.133 178.313 176.094 0.144 0.000 1.058 282 V CA 1.446 63.901 62.300 0.259 0.000 1.064 282 V CB -0.604 31.499 31.823 0.467 0.000 0.675 282 V HN 0.394 nan 8.190 nan 0.000 0.461 283 D N -0.721 119.697 120.400 0.030 0.000 2.149 283 D HA -0.144 4.523 4.640 0.046 0.000 0.198 283 D C 1.838 177.856 176.300 -0.469 0.000 0.990 283 D CA 1.353 55.234 54.000 -0.197 0.000 0.839 283 D CB -0.162 40.446 40.800 -0.321 0.000 0.948 283 D HN 0.510 nan 8.370 nan 0.000 0.460 284 H N -0.541 118.465 119.070 -0.106 0.000 2.755 284 H HA 0.173 4.756 4.556 0.045 0.000 0.273 284 H C 1.506 176.819 175.328 -0.025 0.000 1.055 284 H CA -0.080 55.841 56.048 -0.212 0.000 1.191 284 H CB 0.668 30.401 29.762 -0.048 0.000 1.536 284 H HN 0.270 nan 8.280 nan 0.000 0.529 285 E N 0.952 121.255 120.200 0.171 0.000 2.049 285 E HA -0.211 4.167 4.350 0.046 0.000 0.198 285 E C 1.863 178.677 176.600 0.358 0.000 1.007 285 E CA 1.161 57.766 56.400 0.342 0.000 0.809 285 E CB -0.032 29.860 29.700 0.320 0.000 0.749 285 E HN 0.521 nan 8.360 nan 0.000 0.450 286 W N 0.685 121.982 121.300 -0.005 0.000 2.363 286 W HA -0.181 4.506 4.660 0.045 0.000 0.296 286 W C 1.342 177.964 176.519 0.172 0.000 1.212 286 W CA 1.236 58.592 57.345 0.018 0.000 1.260 286 W CB -0.094 29.341 29.460 -0.041 0.000 1.131 286 W HN 0.315 nan 8.180 nan 0.000 0.530 287 H N -0.358 118.764 119.070 0.087 0.000 2.563 287 H HA -0.075 4.509 4.556 0.045 0.000 0.272 287 H C 1.816 177.094 175.328 -0.084 0.000 1.005 287 H CA 0.660 56.696 56.048 -0.020 0.000 1.171 287 H CB 0.076 29.921 29.762 0.138 0.000 1.351 287 H HN 0.096 nan 8.280 nan 0.000 0.602 288 V N -1.596 118.323 119.914 0.007 0.000 3.621 288 V HA 0.186 4.334 4.120 0.046 0.000 0.285 288 V C 0.453 176.431 176.094 -0.193 0.000 1.346 288 V CA -0.132 62.124 62.300 -0.073 0.000 1.104 288 V CB -0.405 31.387 31.823 -0.052 0.000 0.913 288 V HN 0.118 nan 8.190 nan 0.000 0.432 289 L N 2.680 123.731 121.223 -0.287 0.000 2.367 289 L HA 0.309 4.676 4.340 0.046 0.000 0.275 289 L C -0.451 176.276 176.870 -0.238 0.000 1.129 289 L CA -1.260 53.391 54.840 -0.315 0.000 0.839 289 L CB 1.072 42.843 42.059 -0.480 0.000 1.133 289 L HN 0.120 nan 8.230 nan 0.000 0.453 290 P HA -0.133 nan 4.420 nan 0.000 0.219 290 P C -0.136 177.089 177.300 -0.125 0.000 1.146 290 P CA 1.227 64.248 63.100 -0.133 0.000 0.808 290 P CB 0.397 32.031 31.700 -0.110 0.000 0.779 291 Q N -1.579 118.134 119.800 -0.145 0.000 2.544 291 Q HA 0.328 4.695 4.340 0.046 0.000 0.291 291 Q C -0.499 175.409 176.000 -0.153 0.000 1.068 291 Q CA -0.729 55.001 55.803 -0.121 0.000 0.785 291 Q CB 1.200 29.886 28.738 -0.086 0.000 1.481 291 Q HN -0.096 nan 8.270 nan 0.000 0.430 292 E N 1.434 121.570 120.200 -0.107 0.000 2.081 292 E HA 0.199 4.576 4.350 0.046 0.000 0.270 292 E C -0.985 175.581 176.600 -0.058 0.000 1.180 292 E CA -0.021 56.327 56.400 -0.087 0.000 0.926 292 E CB 0.138 29.819 29.700 -0.030 0.000 1.035 292 E HN 0.596 nan 8.360 nan 0.000 0.418 293 S N 3.663 119.309 115.700 -0.089 0.000 2.689 293 S HA 0.732 5.229 4.470 0.046 0.000 0.306 293 S C 0.011 174.646 174.600 0.058 0.000 1.104 293 S CA -1.010 57.163 58.200 -0.044 0.000 0.973 293 S CB 1.283 64.419 63.200 -0.107 0.000 1.121 293 S HN 0.481 nan 8.310 nan 0.000 0.523 294 I N -3.425 117.181 120.570 0.061 0.000 2.785 294 I HA 0.743 4.940 4.170 0.046 0.000 0.302 294 I C -0.378 175.671 176.117 -0.114 0.000 1.069 294 I CA -1.219 60.159 61.300 0.130 0.000 1.045 294 I CB 1.018 39.169 38.000 0.252 0.000 1.236 294 I HN 0.660 nan 8.210 nan 0.000 0.429 295 F N 1.550 121.074 119.950 -0.709 0.000 3.091 295 F HA -0.211 4.343 4.527 0.045 0.000 0.288 295 F C -0.035 175.041 175.800 -1.207 0.000 0.907 295 F CA 0.746 57.854 58.000 -1.486 0.000 1.028 295 F CB -0.904 37.289 39.000 -1.344 0.000 1.022 295 F HN 0.754 nan 8.300 nan 0.000 0.665 296 R N 0.310 120.287 120.500 -0.871 0.000 2.686 296 R HA 0.745 5.112 4.340 0.046 0.000 0.283 296 R C -1.413 174.449 176.300 -0.730 0.000 0.978 296 R CA -0.383 55.319 56.100 -0.664 0.000 0.897 296 R CB 1.062 31.194 30.300 -0.280 0.000 1.192 296 R HN -0.042 nan 8.270 nan 0.000 0.457 297 F N 0.576 120.649 119.950 0.205 0.000 2.551 297 F HA 0.368 4.922 4.527 0.045 0.000 0.316 297 F C 1.131 176.995 175.800 0.107 0.000 1.089 297 F CA -0.867 57.294 58.000 0.269 0.000 0.915 297 F CB 2.387 41.638 39.000 0.418 0.000 1.186 297 F HN 0.484 nan 8.300 nan 0.000 0.456 298 S N 0.740 116.598 115.700 0.262 0.000 2.383 298 S HA 0.021 4.519 4.470 0.046 0.000 0.227 298 S C -0.104 174.181 174.600 -0.524 0.000 1.026 298 S CA 1.110 59.202 58.200 -0.180 0.000 0.981 298 S CB -0.197 62.942 63.200 -0.102 0.000 0.818 298 S HN 0.363 nan 8.310 nan 0.000 0.472 299 F N 1.383 121.500 119.950 0.279 0.000 2.610 299 F HA 0.531 5.086 4.527 0.046 0.000 0.355 299 F C -0.162 175.753 175.800 0.192 0.000 1.140 299 F CA -1.032 57.112 58.000 0.241 0.000 1.037 299 F CB 1.480 40.645 39.000 0.275 0.000 1.287 299 F HN -0.118 nan 8.300 nan 0.000 0.457 300 V N 0.684 120.631 119.914 0.055 0.000 3.141 300 V HA 0.788 4.935 4.120 0.046 0.000 0.312 300 V C -2.921 172.815 176.094 -0.598 0.000 1.157 300 V CA -3.371 58.600 62.300 -0.547 0.000 1.041 300 V CB 2.176 33.861 31.823 -0.230 0.000 1.071 300 V HN 0.251 nan 8.190 nan 0.000 0.441 301 P HA 0.156 nan 4.420 nan 0.000 0.265 301 P C -0.672 176.486 177.300 -0.236 0.000 1.187 301 P CA 0.405 63.214 63.100 -0.486 0.000 0.766 301 P CB 0.643 31.963 31.700 -0.634 0.000 0.820 302 V N 5.181 125.047 119.914 -0.081 0.000 2.483 302 V HA 0.210 4.357 4.120 0.046 0.000 0.295 302 V C -0.270 175.807 176.094 -0.028 0.000 1.035 302 V CA -0.871 61.404 62.300 -0.043 0.000 0.896 302 V CB 1.795 33.627 31.823 0.013 0.000 0.986 302 V HN 0.149 nan 8.190 nan 0.000 0.447 303 V N 7.719 127.614 119.914 -0.032 0.000 2.400 303 V HA 0.138 4.286 4.120 0.046 0.000 0.263 303 V C 0.842 176.943 176.094 0.012 0.000 1.026 303 V CA 0.606 62.902 62.300 -0.007 0.000 1.077 303 V CB 0.261 32.072 31.823 -0.021 0.000 1.054 303 V HN 1.074 nan 8.190 nan 0.000 0.477 304 D N 2.912 123.336 120.400 0.040 0.000 2.398 304 D HA 0.137 4.805 4.640 0.046 0.000 0.210 304 D C 1.517 177.844 176.300 0.045 0.000 1.094 304 D CA 0.548 54.576 54.000 0.047 0.000 0.839 304 D CB 0.455 41.298 40.800 0.071 0.000 0.963 304 D HN 0.689 nan 8.370 nan 0.000 0.506 305 G N 0.864 109.689 108.800 0.042 0.000 2.186 305 G HA2 -0.365 3.622 3.960 0.046 0.000 0.266 305 G HA3 -0.365 3.622 3.960 0.046 0.000 0.266 305 G C 0.498 175.424 174.900 0.042 0.000 0.982 305 G CA 1.032 46.152 45.100 0.033 0.000 0.670 305 G HN 0.544 nan 8.290 nan 0.000 0.533 306 D N -1.437 119.005 120.400 0.071 0.000 3.013 306 D HA 0.223 4.890 4.640 0.046 0.000 0.235 306 D C 1.818 178.178 176.300 0.099 0.000 1.540 306 D CA 0.380 54.427 54.000 0.078 0.000 1.303 306 D CB -0.573 40.283 40.800 0.095 0.000 0.980 306 D HN 0.089 nan 8.370 nan 0.000 0.250 307 F N 1.079 121.041 119.950 0.020 0.000 2.095 307 F HA 0.147 4.702 4.527 0.045 0.000 0.298 307 F C 0.613 176.416 175.800 0.005 0.000 1.104 307 F CA 1.183 59.194 58.000 0.018 0.000 1.232 307 F CB 0.129 39.139 39.000 0.016 0.000 0.987 307 F HN -0.016 nan 8.300 nan 0.000 0.475 308 L N 0.946 122.340 121.223 0.286 0.000 2.301 308 L HA 0.186 4.554 4.340 0.046 0.000 0.278 308 L C 1.395 178.311 176.870 0.077 0.000 1.022 308 L CA -0.215 54.722 54.840 0.162 0.000 0.854 308 L CB 1.283 43.425 42.059 0.139 0.000 1.226 308 L HN 0.091 nan 8.230 nan 0.000 0.429 309 S N 0.471 116.195 115.700 0.039 0.000 2.419 309 S HA -0.051 4.446 4.470 0.046 0.000 0.233 309 S C 0.526 175.136 174.600 0.016 0.000 1.016 309 S CA 0.621 58.833 58.200 0.020 0.000 0.974 309 S CB 0.175 63.375 63.200 0.001 0.000 0.786 309 S HN 0.676 nan 8.310 nan 0.000 0.492 310 D N 0.382 120.793 120.400 0.017 0.000 2.744 310 D HA 0.353 5.021 4.640 0.046 0.000 0.304 310 D C -0.618 175.686 176.300 0.005 0.000 1.179 310 D CA -0.037 53.967 54.000 0.007 0.000 1.024 310 D CB 1.595 42.397 40.800 0.003 0.000 1.453 310 D HN 0.241 nan 8.370 nan 0.000 0.529 311 T N -1.094 113.455 114.554 -0.009 0.000 2.903 311 T HA 0.193 4.570 4.350 0.046 0.000 0.314 311 T C -1.825 172.864 174.700 -0.018 0.000 1.078 311 T CA -0.709 61.377 62.100 -0.025 0.000 1.114 311 T CB 0.972 69.817 68.868 -0.038 0.000 0.987 311 T HN 0.097 nan 8.240 nan 0.000 0.548 312 P HA -0.115 nan 4.420 nan 0.000 0.216 312 P C 1.510 178.797 177.300 -0.020 0.000 1.150 312 P CA 1.208 64.290 63.100 -0.031 0.000 0.843 312 P CB 0.060 31.708 31.700 -0.087 0.000 0.787 313 E N -0.052 120.123 120.200 -0.041 0.000 2.048 313 E HA -0.261 4.116 4.350 0.046 0.000 0.202 313 E C 1.979 178.580 176.600 0.002 0.000 1.021 313 E CA 2.019 58.403 56.400 -0.027 0.000 0.825 313 E CB -1.020 28.657 29.700 -0.038 0.000 0.756 313 E HN 0.091 nan 8.360 nan 0.000 0.454 314 A N 0.209 123.029 122.820 -0.001 0.000 1.902 314 A HA -0.134 4.213 4.320 0.046 0.000 0.217 314 A C 2.326 179.926 177.584 0.027 0.000 1.181 314 A CA 1.534 53.575 52.037 0.008 0.000 0.623 314 A CB -0.726 18.273 19.000 -0.002 0.000 0.818 314 A HN 0.350 nan 8.150 nan 0.000 0.443 315 L N -0.130 121.119 121.223 0.043 0.000 2.093 315 L HA -0.135 4.232 4.340 0.046 0.000 0.208 315 L C 2.557 179.533 176.870 0.175 0.000 1.085 315 L CA 1.470 56.359 54.840 0.082 0.000 0.755 315 L CB -0.568 41.546 42.059 0.092 0.000 0.904 315 L HN 0.676 nan 8.230 nan 0.000 0.435 316 I N -3.243 117.430 120.570 0.171 0.000 2.500 316 I HA -0.109 4.089 4.170 0.046 0.000 0.252 316 I C 2.001 178.251 176.117 0.221 0.000 1.142 316 I CA 1.110 62.566 61.300 0.261 0.000 1.451 316 I CB -0.441 37.620 38.000 0.101 0.000 1.093 316 I HN 0.141 nan 8.210 nan 0.000 0.430 317 N N 1.511 120.276 118.700 0.110 0.000 2.188 317 N HA -0.126 4.641 4.740 0.046 0.000 0.184 317 N C 1.864 177.404 175.510 0.050 0.000 1.018 317 N CA 2.261 55.355 53.050 0.073 0.000 0.858 317 N CB -0.405 38.104 38.487 0.037 0.000 0.989 317 N HN 0.690 nan 8.380 nan 0.000 0.426 318 T N -3.748 110.820 114.554 0.022 0.000 3.044 318 T HA 0.323 4.701 4.350 0.046 0.000 0.260 318 T C 0.949 175.567 174.700 -0.137 0.000 1.019 318 T CA -0.329 61.748 62.100 -0.039 0.000 0.921 318 T CB 0.031 68.877 68.868 -0.035 0.000 1.053 318 T HN 0.061 nan 8.240 nan 0.000 0.533 319 G N 0.923 109.597 108.800 -0.210 0.000 2.594 319 G HA2 0.405 4.392 3.960 0.046 0.000 0.243 319 G HA3 0.405 4.392 3.960 0.046 0.000 0.243 319 G C -1.089 173.256 174.900 -0.925 0.000 1.229 319 G CA -0.378 44.317 45.100 -0.676 0.000 0.843 319 G HN 0.363 nan 8.290 nan 0.000 0.578 320 D N -0.285 119.555 120.400 -0.932 0.000 2.381 320 D HA 0.444 5.111 4.640 0.046 0.000 0.235 320 D C -0.464 175.478 176.300 -0.597 0.000 1.068 320 D CA -0.673 52.972 54.000 -0.591 0.000 0.832 320 D CB 0.729 41.359 40.800 -0.283 0.000 1.101 320 D HN 0.086 nan 8.370 nan 0.000 0.515 321 F N 2.126 122.079 119.950 0.005 0.000 2.764 321 F HA 0.165 4.719 4.527 0.046 0.000 0.310 321 F C 1.980 177.785 175.800 0.008 0.000 1.124 321 F CA -0.470 57.536 58.000 0.010 0.000 1.252 321 F CB 0.204 39.220 39.000 0.027 0.000 1.010 321 F HN 0.297 nan 8.300 nan 0.000 0.518 322 Q N 0.522 120.380 119.800 0.097 0.000 2.028 322 Q HA -0.233 4.134 4.340 0.046 0.000 0.213 322 Q C 0.364 176.404 176.000 0.067 0.000 1.017 322 Q CA 1.783 57.623 55.803 0.062 0.000 0.875 322 Q CB -0.396 28.352 28.738 0.017 0.000 0.962 322 Q HN 0.365 nan 8.270 nan 0.000 0.413 323 D N 0.314 120.746 120.400 0.054 0.000 2.889 323 D HA 0.218 4.885 4.640 0.046 0.000 0.243 323 D C -0.577 175.752 176.300 0.048 0.000 1.270 323 D CA -0.083 53.940 54.000 0.038 0.000 0.838 323 D CB -0.107 40.702 40.800 0.014 0.000 1.040 323 D HN -0.008 nan 8.370 nan 0.000 0.480 324 L N 1.162 122.438 121.223 0.089 0.000 2.322 324 L HA 0.331 4.698 4.340 0.046 0.000 0.281 324 L C -0.791 176.144 176.870 0.109 0.000 1.014 324 L CA -0.504 54.396 54.840 0.100 0.000 0.815 324 L CB 1.818 43.965 42.059 0.148 0.000 1.247 324 L HN -0.217 nan 8.230 nan 0.000 0.421 325 Q N 3.293 123.164 119.800 0.118 0.000 2.282 325 Q HA 0.773 5.140 4.340 0.046 0.000 0.260 325 Q C -1.322 174.923 176.000 0.408 0.000 0.964 325 Q CA -0.408 55.516 55.803 0.202 0.000 0.880 325 Q CB 2.417 31.184 28.738 0.048 0.000 1.286 325 Q HN 0.467 nan 8.270 nan 0.000 0.445 326 V N 2.512 122.678 119.914 0.420 0.000 2.686 326 V HA 0.473 4.620 4.120 0.046 0.000 0.306 326 V C -1.469 174.642 176.094 0.028 0.000 1.065 326 V CA -0.888 61.573 62.300 0.268 0.000 0.894 326 V CB 1.950 33.811 31.823 0.063 0.000 1.004 326 V HN 0.607 nan 8.190 nan 0.000 0.424 327 L N 6.973 127.944 121.223 -0.419 0.000 2.298 327 L HA 0.879 5.246 4.340 0.046 0.000 0.284 327 L C -0.424 176.302 176.870 -0.240 0.000 1.013 327 L CA -0.130 54.342 54.840 -0.613 0.000 0.824 327 L CB 1.554 42.690 42.059 -1.539 0.000 1.221 327 L HN 0.617 nan 8.230 nan 0.000 0.418 328 V N 2.100 121.941 119.914 -0.122 0.000 2.914 328 V HA 1.133 5.280 4.120 0.046 0.000 0.314 328 V C -0.066 175.781 176.094 -0.412 0.000 1.084 328 V CA 0.108 62.317 62.300 -0.152 0.000 0.963 328 V CB 1.182 32.893 31.823 -0.187 0.000 1.025 328 V HN 1.042 nan 8.190 nan 0.000 0.432 329 G N 0.565 108.955 108.800 -0.683 0.000 2.495 329 G HA2 0.760 4.748 3.960 0.046 0.000 0.294 329 G HA3 0.760 4.748 3.960 0.046 0.000 0.294 329 G C -1.174 173.393 174.900 -0.556 0.000 1.397 329 G CA 0.082 44.382 45.100 -1.333 0.000 0.790 329 G HN 1.992 nan 8.290 nan 0.000 0.486 330 V N -2.604 117.158 119.914 -0.254 0.000 3.156 330 V HA 0.941 5.088 4.120 0.046 0.000 0.310 330 V C 0.229 176.551 176.094 0.380 0.000 1.234 330 V CA -0.414 61.960 62.300 0.124 0.000 1.065 330 V CB 1.116 32.976 31.823 0.062 0.000 1.088 330 V HN 1.840 nan 8.190 nan 0.000 0.451 331 V N -1.623 118.515 119.914 0.373 0.000 2.994 331 V HA 0.596 4.743 4.120 0.046 0.000 0.318 331 V C 1.296 177.579 176.094 0.314 0.000 1.085 331 V CA -0.170 62.397 62.300 0.446 0.000 0.998 331 V CB 1.351 33.434 31.823 0.434 0.000 1.063 331 V HN 1.035 nan 8.190 nan 0.000 0.447 332 K N -0.171 120.410 120.400 0.301 0.000 2.103 332 K HA -0.091 4.257 4.320 0.046 0.000 0.207 332 K C 0.329 177.034 176.600 0.175 0.000 1.048 332 K CA 1.987 58.402 56.287 0.212 0.000 0.930 332 K CB 0.067 32.669 32.500 0.170 0.000 0.716 332 K HN 0.900 nan 8.250 nan 0.000 0.444 333 D N 0.978 121.476 120.400 0.165 0.000 2.634 333 D HA 0.025 4.692 4.640 0.046 0.000 0.318 333 D C 0.141 176.479 176.300 0.063 0.000 1.226 333 D CA -0.095 53.974 54.000 0.115 0.000 0.899 333 D CB 1.317 42.170 40.800 0.087 0.000 1.025 333 D HN 0.097 nan 8.370 nan 0.000 0.501 334 E N 0.609 120.856 120.200 0.078 0.000 2.171 334 E HA -0.142 4.235 4.350 0.046 0.000 0.197 334 E C 1.865 178.386 176.600 -0.132 0.000 0.997 334 E CA 0.848 57.256 56.400 0.013 0.000 0.810 334 E CB 0.112 29.877 29.700 0.109 0.000 0.738 334 E HN 0.478 nan 8.360 nan 0.000 0.467 335 G N 0.048 108.852 108.800 0.007 0.000 3.020 335 G HA2 -0.062 3.925 3.960 0.046 0.000 0.217 335 G HA3 -0.062 3.925 3.960 0.046 0.000 0.217 335 G C 1.610 176.579 174.900 0.116 0.000 1.144 335 G CA 0.629 45.780 45.100 0.085 0.000 0.760 335 G HN 0.332 nan 8.290 nan 0.000 0.548 336 S N -0.027 115.709 115.700 0.059 0.000 2.338 336 S HA -0.166 4.331 4.470 0.046 0.000 0.218 336 S C 2.018 176.647 174.600 0.049 0.000 1.032 336 S CA 1.015 59.270 58.200 0.091 0.000 0.999 336 S CB -1.028 62.132 63.200 -0.066 0.000 0.905 336 S HN 0.390 nan 8.310 nan 0.000 0.439 337 Y N 1.013 121.164 120.300 -0.249 0.000 2.133 337 Y HA -0.315 4.263 4.550 0.046 0.000 0.279 337 Y C 2.013 177.839 175.900 -0.124 0.000 1.209 337 Y CA 1.939 59.822 58.100 -0.361 0.000 1.152 337 Y CB -0.387 37.863 38.460 -0.351 0.000 0.961 337 Y HN 0.293 nan 8.280 nan 0.000 0.512 338 F N -0.593 119.505 119.950 0.247 0.000 2.558 338 F HA -0.143 4.410 4.527 0.045 0.000 0.298 338 F C 1.816 177.773 175.800 0.262 0.000 1.119 338 F CA 0.652 58.791 58.000 0.231 0.000 1.451 338 F CB -0.051 39.023 39.000 0.123 0.000 1.091 338 F HN 0.019 nan 8.300 nan 0.000 0.563 339 L N -0.500 120.906 121.223 0.306 0.000 2.156 339 L HA -0.139 4.228 4.340 0.046 0.000 0.208 339 L C 2.398 179.415 176.870 0.244 0.000 1.095 339 L CA 0.858 55.734 54.840 0.059 0.000 0.770 339 L CB -0.836 40.938 42.059 -0.475 0.000 0.914 339 L HN 0.098 nan 8.230 nan 0.000 0.439 340 V N -4.356 115.775 119.914 0.362 0.000 3.078 340 V HA -0.205 3.943 4.120 0.046 0.000 0.265 340 V C 1.106 177.275 176.094 0.124 0.000 1.122 340 V CA 0.980 63.476 62.300 0.326 0.000 1.141 340 V CB -1.222 30.821 31.823 0.367 0.000 0.735 340 V HN 0.317 nan 8.190 nan 0.000 0.498 341 Y N 1.780 122.228 120.300 0.246 0.000 2.867 341 Y HA 0.669 5.246 4.550 0.045 0.000 0.351 341 Y C 1.542 177.570 175.900 0.214 0.000 1.046 341 Y CA 0.285 58.497 58.100 0.186 0.000 1.520 341 Y CB 0.499 39.040 38.460 0.135 0.000 1.337 341 Y HN 0.381 nan 8.280 nan 0.000 0.525 342 G N -1.348 107.633 108.800 0.302 0.000 2.738 342 G HA2 -0.182 3.805 3.960 0.046 0.000 0.195 342 G HA3 -0.182 3.805 3.960 0.046 0.000 0.195 342 G C -0.490 174.548 174.900 0.230 0.000 1.001 342 G CA -0.459 44.801 45.100 0.267 0.000 0.759 342 G HN 0.006 nan 8.290 nan 0.000 0.494 343 V N 3.322 123.384 119.914 0.247 0.000 2.387 343 V HA 0.363 4.511 4.120 0.046 0.000 0.260 343 V C -1.737 174.582 176.094 0.375 0.000 1.054 343 V CA -1.288 61.167 62.300 0.258 0.000 0.967 343 V CB 0.804 32.712 31.823 0.143 0.000 1.036 343 V HN 0.113 nan 8.190 nan 0.000 0.481 344 P HA 0.213 nan 4.420 nan 0.000 0.264 344 P C 1.040 178.455 177.300 0.192 0.000 1.183 344 P CA 1.315 64.534 63.100 0.198 0.000 0.763 344 P CB 0.635 32.412 31.700 0.127 0.000 0.807 345 G N 0.932 109.771 108.800 0.066 0.000 2.195 345 G HA2 -0.211 3.776 3.960 0.046 0.000 0.224 345 G HA3 -0.211 3.776 3.960 0.046 0.000 0.224 345 G C -0.238 174.447 174.900 -0.359 0.000 0.990 345 G CA -0.593 44.407 45.100 -0.166 0.000 0.639 345 G HN 0.401 nan 8.290 nan 0.000 0.514 346 F N 1.288 121.261 119.950 0.040 0.000 2.469 346 F HA 0.784 5.338 4.527 0.044 0.000 0.332 346 F C 0.472 176.382 175.800 0.182 0.000 1.103 346 F CA -0.156 57.884 58.000 0.066 0.000 0.979 346 F CB 2.440 41.530 39.000 0.149 0.000 1.137 346 F HN 0.267 nan 8.300 nan 0.000 0.463 347 S N 1.794 117.748 115.700 0.422 0.000 2.552 347 S HA 0.268 4.766 4.470 0.046 0.000 0.272 347 S C 0.028 174.929 174.600 0.502 0.000 1.150 347 S CA -0.913 57.537 58.200 0.417 0.000 0.849 347 S CB 1.357 64.702 63.200 0.242 0.000 1.113 347 S HN 0.756 nan 8.310 nan 0.000 0.458 348 K N 1.548 122.135 120.400 0.312 0.000 2.504 348 K HA 0.079 4.426 4.320 0.046 0.000 0.195 348 K C 0.245 176.850 176.600 0.009 0.000 1.036 348 K CA 1.161 57.517 56.287 0.116 0.000 0.984 348 K CB -0.080 32.199 32.500 -0.369 0.000 0.788 348 K HN 0.484 nan 8.250 nan 0.000 0.488 349 D N 1.201 121.622 120.400 0.034 0.000 2.468 349 D HA -0.050 4.618 4.640 0.046 0.000 0.243 349 D C 0.314 176.641 176.300 0.045 0.000 0.994 349 D CA 0.578 54.564 54.000 -0.024 0.000 0.932 349 D CB -0.255 40.516 40.800 -0.048 0.000 1.078 349 D HN 0.392 nan 8.370 nan 0.000 0.473 350 N N 0.834 119.568 118.700 0.057 0.000 2.347 350 N HA 0.004 4.771 4.740 0.046 0.000 0.253 350 N C 0.428 175.963 175.510 0.042 0.000 1.274 350 N CA -0.176 52.888 53.050 0.023 0.000 0.941 350 N CB 0.629 39.098 38.487 -0.029 0.000 1.200 350 N HN -0.149 nan 8.380 nan 0.000 0.514 351 E N -0.987 119.186 120.200 -0.046 0.000 2.511 351 E HA -0.029 4.349 4.350 0.046 0.000 0.196 351 E C -0.491 175.770 176.600 -0.565 0.000 1.066 351 E CA 0.088 56.410 56.400 -0.131 0.000 0.871 351 E CB -0.279 29.380 29.700 -0.068 0.000 0.863 351 E HN 0.632 nan 8.360 nan 0.000 0.520 352 S N 0.086 115.476 115.700 -0.516 0.000 3.682 352 S HA -0.194 4.303 4.470 0.046 0.000 0.354 352 S C 0.167 174.319 174.600 -0.747 0.000 1.034 352 S CA 0.163 57.907 58.200 -0.760 0.000 1.084 352 S CB -1.705 60.782 63.200 -1.189 0.000 0.903 352 S HN 0.324 nan 8.310 nan 0.000 0.470 353 L N 1.830 122.779 121.223 -0.457 0.000 2.515 353 L HA 0.343 4.711 4.340 0.046 0.000 0.281 353 L C 0.814 177.490 176.870 -0.323 0.000 1.131 353 L CA -0.115 54.526 54.840 -0.331 0.000 0.905 353 L CB -0.167 41.769 42.059 -0.205 0.000 1.246 353 L HN 0.430 nan 8.230 nan 0.000 0.463 354 I N 0.236 120.597 120.570 -0.347 0.000 2.677 354 I HA 0.531 4.728 4.170 0.046 0.000 0.305 354 I C 0.798 176.845 176.117 -0.117 0.000 0.988 354 I CA -0.561 60.573 61.300 -0.277 0.000 1.260 354 I CB 1.460 39.265 38.000 -0.325 0.000 1.410 354 I HN 0.532 nan 8.210 nan 0.000 0.523 355 S N 2.943 118.605 115.700 -0.062 0.000 2.624 355 S HA 0.300 4.798 4.470 0.046 0.000 0.263 355 S C 0.994 175.626 174.600 0.052 0.000 1.287 355 S CA -0.442 57.752 58.200 -0.012 0.000 0.990 355 S CB 1.410 64.609 63.200 -0.001 0.000 0.950 355 S HN 0.858 nan 8.310 nan 0.000 0.561 356 R N 0.879 121.410 120.500 0.053 0.000 2.091 356 R HA -0.105 4.263 4.340 0.046 0.000 0.238 356 R C 2.369 178.770 176.300 0.168 0.000 1.136 356 R CA 1.780 57.948 56.100 0.113 0.000 0.959 356 R CB -1.209 29.129 30.300 0.063 0.000 0.856 356 R HN 0.845 nan 8.270 nan 0.000 0.437 357 A N 0.375 123.256 122.820 0.102 0.000 1.883 357 A HA -0.247 4.101 4.320 0.046 0.000 0.217 357 A C 2.089 179.731 177.584 0.097 0.000 1.186 357 A CA 1.759 53.849 52.037 0.087 0.000 0.624 357 A CB -0.585 18.448 19.000 0.055 0.000 0.822 357 A HN 0.546 nan 8.150 nan 0.000 0.444 358 Q N -2.042 117.819 119.800 0.101 0.000 2.167 358 Q HA -0.092 4.275 4.340 0.046 0.000 0.202 358 Q C 1.843 177.956 176.000 0.190 0.000 0.970 358 Q CA 1.370 57.241 55.803 0.113 0.000 0.855 358 Q CB -0.246 28.529 28.738 0.062 0.000 0.911 358 Q HN 0.791 nan 8.270 nan 0.000 0.438 359 F N 1.053 121.051 119.950 0.080 0.000 2.075 359 F HA -0.229 4.329 4.527 0.052 0.000 0.297 359 F C 1.751 177.608 175.800 0.095 0.000 1.113 359 F CA 1.201 59.265 58.000 0.107 0.000 1.218 359 F CB -0.021 39.020 39.000 0.068 0.000 0.984 359 F HN -0.040 nan 8.300 nan 0.000 0.472 360 L N 0.304 121.512 121.223 -0.026 0.000 2.012 360 L HA -0.264 4.103 4.340 0.046 0.000 0.210 360 L C 2.848 179.651 176.870 -0.111 0.000 1.073 360 L CA 1.458 56.228 54.840 -0.115 0.000 0.748 360 L CB -1.691 40.387 42.059 0.032 0.000 0.891 360 L HN 0.313 nan 8.230 nan 0.000 0.431 361 A N 0.545 123.350 122.820 -0.025 0.000 1.902 361 A HA -0.106 4.242 4.320 0.046 0.000 0.217 361 A C 2.427 180.005 177.584 -0.011 0.000 1.181 361 A CA 1.690 53.726 52.037 -0.001 0.000 0.623 361 A CB -1.195 17.829 19.000 0.039 0.000 0.818 361 A HN 0.455 nan 8.150 nan 0.000 0.443 362 G N -0.660 108.138 108.800 -0.004 0.000 2.432 362 G HA2 -0.097 3.891 3.960 0.046 0.000 0.219 362 G HA3 -0.097 3.891 3.960 0.046 0.000 0.219 362 G C 1.447 176.296 174.900 -0.085 0.000 1.135 362 G CA 1.224 46.333 45.100 0.015 0.000 0.767 362 G HN 0.330 nan 8.290 nan 0.000 0.550 363 V N 1.009 120.790 119.914 -0.223 0.000 2.427 363 V HA -0.099 4.048 4.120 0.046 0.000 0.248 363 V C 2.912 178.951 176.094 -0.092 0.000 1.051 363 V CA 1.456 63.627 62.300 -0.215 0.000 1.048 363 V CB -0.339 31.267 31.823 -0.361 0.000 0.666 363 V HN 0.249 nan 8.190 nan 0.000 0.456 364 R N 0.001 120.459 120.500 -0.070 0.000 2.115 364 R HA 0.025 4.392 4.340 0.046 0.000 0.230 364 R C 2.084 178.371 176.300 -0.022 0.000 1.111 364 R CA 1.321 57.400 56.100 -0.035 0.000 0.976 364 R CB -0.744 29.542 30.300 -0.024 0.000 0.870 364 R HN 0.454 nan 8.270 nan 0.000 0.445 365 I N -0.049 120.514 120.570 -0.012 0.000 2.233 365 I HA -0.101 4.096 4.170 0.046 0.000 0.243 365 I C 2.394 178.518 176.117 0.012 0.000 1.093 365 I CA 1.471 62.777 61.300 0.010 0.000 1.380 365 I CB -0.572 37.455 38.000 0.044 0.000 1.067 365 I HN 0.209 nan 8.210 nan 0.000 0.413 366 G N 0.319 109.121 108.800 0.003 0.000 2.421 366 G HA2 -0.056 3.931 3.960 0.046 0.000 0.217 366 G HA3 -0.056 3.931 3.960 0.046 0.000 0.217 366 G C 0.872 175.794 174.900 0.037 0.000 1.143 366 G CA 0.361 45.469 45.100 0.014 0.000 0.784 366 G HN 0.246 nan 8.290 nan 0.000 0.541 367 V N 2.124 122.033 119.914 -0.009 0.000 2.294 367 V HA 0.221 4.368 4.120 0.046 0.000 0.258 367 V C -1.417 174.663 176.094 -0.024 0.000 1.080 367 V CA -1.159 61.096 62.300 -0.075 0.000 1.128 367 V CB 1.261 33.014 31.823 -0.117 0.000 1.323 367 V HN 0.104 nan 8.190 nan 0.000 0.498 368 P HA -0.123 nan 4.420 nan 0.000 0.222 368 P C 1.084 178.374 177.300 -0.018 0.000 1.147 368 P CA 0.957 64.047 63.100 -0.016 0.000 0.790 368 P CB 0.573 32.253 31.700 -0.032 0.000 0.780 369 Q N -0.359 119.442 119.800 0.001 0.000 2.444 369 Q HA 0.228 4.595 4.340 0.046 0.000 0.206 369 Q C 0.792 176.781 176.000 -0.018 0.000 0.948 369 Q CA 0.017 55.816 55.803 -0.006 0.000 0.946 369 Q CB -0.503 28.248 28.738 0.022 0.000 1.027 369 Q HN 0.165 nan 8.270 nan 0.000 0.513 370 A N 0.833 123.639 122.820 -0.024 0.000 2.409 370 A HA 0.426 4.774 4.320 0.046 0.000 0.267 370 A C 0.401 177.971 177.584 -0.024 0.000 1.127 370 A CA -0.322 51.699 52.037 -0.028 0.000 0.795 370 A CB 0.119 19.106 19.000 -0.021 0.000 1.061 370 A HN 0.352 nan 8.150 nan 0.000 0.502 371 S N 2.268 117.951 115.700 -0.029 0.000 2.598 371 S HA 0.041 4.538 4.470 0.046 0.000 0.256 371 S C 0.489 175.084 174.600 -0.007 0.000 1.350 371 S CA 0.532 58.719 58.200 -0.021 0.000 0.984 371 S CB 0.219 63.402 63.200 -0.028 0.000 0.930 371 S HN 0.642 nan 8.310 nan 0.000 0.577 372 D N 0.205 120.605 120.400 -0.001 0.000 2.116 372 D HA -0.100 4.567 4.640 0.046 0.000 0.193 372 D C 1.762 178.078 176.300 0.028 0.000 0.998 372 D CA 1.299 55.307 54.000 0.013 0.000 0.836 372 D CB -0.372 40.437 40.800 0.014 0.000 0.951 372 D HN 0.402 nan 8.370 nan 0.000 0.449 373 L N 0.619 121.856 121.223 0.024 0.000 2.017 373 L HA -0.074 4.293 4.340 0.046 0.000 0.208 373 L C 2.066 178.974 176.870 0.062 0.000 1.073 373 L CA 1.852 56.718 54.840 0.044 0.000 0.745 373 L CB -0.946 41.131 42.059 0.030 0.000 0.894 373 L HN 0.033 nan 8.230 nan 0.000 0.432 374 A N -0.577 122.256 122.820 0.022 0.000 1.908 374 A HA -0.170 4.177 4.320 0.046 0.000 0.218 374 A C 2.441 180.065 177.584 0.066 0.000 1.181 374 A CA 2.063 54.109 52.037 0.014 0.000 0.627 374 A CB -1.193 17.773 19.000 -0.055 0.000 0.818 374 A HN 0.587 nan 8.150 nan 0.000 0.445 375 A N -0.581 122.267 122.820 0.047 0.000 1.898 375 A HA -0.129 4.218 4.320 0.046 0.000 0.216 375 A C 1.918 179.556 177.584 0.091 0.000 1.181 375 A CA 1.834 53.902 52.037 0.051 0.000 0.620 375 A CB -0.508 18.502 19.000 0.016 0.000 0.819 375 A HN 0.556 nan 8.150 nan 0.000 0.442 376 E N -0.203 120.059 120.200 0.102 0.000 2.085 376 E HA -0.102 4.275 4.350 0.046 0.000 0.194 376 E C 2.239 178.953 176.600 0.190 0.000 0.994 376 E CA 1.299 57.783 56.400 0.141 0.000 0.801 376 E CB -0.313 29.460 29.700 0.122 0.000 0.743 376 E HN 0.596 nan 8.360 nan 0.000 0.453 377 A N 0.193 123.141 122.820 0.213 0.000 1.883 377 A HA -0.188 4.159 4.320 0.046 0.000 0.217 377 A C 2.444 180.168 177.584 0.234 0.000 1.186 377 A CA 1.543 53.756 52.037 0.294 0.000 0.624 377 A CB -0.768 18.526 19.000 0.490 0.000 0.822 377 A HN 0.163 nan 8.150 nan 0.000 0.444 378 V N -0.447 119.645 119.914 0.297 0.000 2.261 378 V HA -0.247 3.900 4.120 0.046 0.000 0.246 378 V C 2.581 178.881 176.094 0.342 0.000 1.047 378 V CA 2.074 64.539 62.300 0.275 0.000 1.015 378 V CB -0.883 31.087 31.823 0.245 0.000 0.642 378 V HN 0.372 nan 8.190 nan 0.000 0.446 379 V N -0.506 119.574 119.914 0.276 0.000 2.343 379 V HA -0.272 3.875 4.120 0.046 0.000 0.247 379 V C 2.339 178.674 176.094 0.401 0.000 1.051 379 V CA 2.063 64.591 62.300 0.379 0.000 1.036 379 V CB -0.526 31.457 31.823 0.265 0.000 0.654 379 V HN 0.417 nan 8.190 nan 0.000 0.451 380 L N -0.758 120.682 121.223 0.363 0.000 2.046 380 L HA -0.224 4.143 4.340 0.046 0.000 0.208 380 L C 2.544 179.629 176.870 0.359 0.000 1.077 380 L CA 2.068 57.197 54.840 0.480 0.000 0.747 380 L CB -0.632 41.619 42.059 0.319 0.000 0.896 380 L HN 0.451 nan 8.230 nan 0.000 0.432 381 H N -1.791 117.273 119.070 -0.011 0.000 2.387 381 H HA -0.192 4.393 4.556 0.049 0.000 0.299 381 H C 1.617 176.805 175.328 -0.234 0.000 1.090 381 H CA 1.940 57.809 56.048 -0.299 0.000 1.332 381 H CB 0.065 29.261 29.762 -0.943 0.000 1.386 381 H HN 0.330 nan 8.280 nan 0.000 0.516 382 Y N -0.324 119.994 120.300 0.030 0.000 2.478 382 Y HA 0.145 4.722 4.550 0.044 0.000 0.261 382 Y C 0.716 176.518 175.900 -0.164 0.000 1.127 382 Y CA 0.240 58.362 58.100 0.037 0.000 1.288 382 Y CB 0.381 39.036 38.460 0.326 0.000 1.084 382 Y HN 0.011 nan 8.280 nan 0.000 0.530 383 T N 1.646 116.089 114.554 -0.185 0.000 2.902 383 T HA -0.079 4.298 4.350 0.046 0.000 0.301 383 T C -0.149 174.169 174.700 -0.638 0.000 1.012 383 T CA -0.133 61.566 62.100 -0.668 0.000 1.151 383 T CB 0.244 68.296 68.868 -1.358 0.000 0.946 383 T HN 0.078 nan 8.240 nan 0.000 0.542 384 D N 2.285 122.405 120.400 -0.466 0.000 2.402 384 D HA 0.068 4.736 4.640 0.046 0.000 0.235 384 D C 0.213 176.285 176.300 -0.380 0.000 1.226 384 D CA -0.712 53.102 54.000 -0.310 0.000 0.918 384 D CB 0.160 40.841 40.800 -0.198 0.000 1.043 384 D HN 0.618 nan 8.370 nan 0.000 0.506 385 W N 3.144 124.357 121.300 -0.145 0.000 2.538 385 W HA -0.045 4.640 4.660 0.041 0.000 0.254 385 W C 2.102 178.501 176.519 -0.199 0.000 1.249 385 W CA -0.178 57.082 57.345 -0.141 0.000 1.253 385 W CB 0.008 29.401 29.460 -0.112 0.000 1.130 385 W HN 0.442 nan 8.180 nan 0.000 0.618 386 L N -0.643 120.488 121.223 -0.153 0.000 2.131 386 L HA -0.093 4.274 4.340 0.046 0.000 0.206 386 L C 0.120 176.618 176.870 -0.619 0.000 1.087 386 L CA 1.300 55.895 54.840 -0.408 0.000 0.767 386 L CB -0.149 41.558 42.059 -0.586 0.000 0.917 386 L HN 0.038 nan 8.230 nan 0.000 0.441 387 H N -1.374 117.552 119.070 -0.241 0.000 2.336 387 H HA 0.203 4.766 4.556 0.012 0.000 0.230 387 H C -1.923 173.226 175.328 -0.298 0.000 1.426 387 H CA -1.603 54.279 56.048 -0.277 0.000 1.359 387 H CB 0.158 29.654 29.762 -0.444 0.000 1.555 387 H HN 0.055 nan 8.280 nan 0.000 0.512 388 P HA -0.104 nan 4.420 nan 0.000 0.229 388 P C 0.559 177.726 177.300 -0.221 0.000 1.160 388 P CA 1.069 63.993 63.100 -0.293 0.000 0.777 388 P CB 0.708 32.298 31.700 -0.184 0.000 0.814 389 E N -0.712 119.423 120.200 -0.108 0.000 2.562 389 E HA 0.040 4.417 4.350 0.046 0.000 0.214 389 E C -0.069 176.500 176.600 -0.051 0.000 0.979 389 E CA -0.236 56.122 56.400 -0.070 0.000 1.002 389 E CB 0.057 29.741 29.700 -0.027 0.000 1.048 389 E HN 0.166 nan 8.360 nan 0.000 0.488 390 D N 2.517 122.896 120.400 -0.034 0.000 2.451 390 D HA -0.033 4.634 4.640 0.046 0.000 0.254 390 D C -1.680 174.615 176.300 -0.008 0.000 1.204 390 D CA -1.329 52.677 54.000 0.009 0.000 0.896 390 D CB 1.197 42.047 40.800 0.083 0.000 1.136 390 D HN -0.132 nan 8.370 nan 0.000 0.499 391 P HA -0.076 nan 4.420 nan 0.000 0.219 391 P C 1.225 178.472 177.300 -0.089 0.000 1.150 391 P CA 0.829 63.883 63.100 -0.078 0.000 0.814 391 P CB 0.188 31.830 31.700 -0.097 0.000 0.787 392 T N -1.351 113.158 114.554 -0.074 0.000 2.720 392 T HA -0.200 4.177 4.350 0.046 0.000 0.268 392 T C 1.529 176.159 174.700 -0.116 0.000 1.037 392 T CA 1.717 63.753 62.100 -0.107 0.000 1.144 392 T CB -1.023 67.766 68.868 -0.132 0.000 0.864 392 T HN 0.269 nan 8.240 nan 0.000 0.444 393 H N 0.452 119.461 119.070 -0.101 0.000 2.293 393 H HA 0.099 4.675 4.556 0.034 0.000 0.300 393 H C 2.197 177.434 175.328 -0.152 0.000 1.082 393 H CA 1.249 57.232 56.048 -0.107 0.000 1.308 393 H CB -0.374 29.314 29.762 -0.124 0.000 1.375 393 H HN 0.178 nan 8.280 nan 0.000 0.495 394 L N 0.105 121.269 121.223 -0.097 0.000 2.042 394 L HA -0.204 4.163 4.340 0.046 0.000 0.210 394 L C 2.782 179.624 176.870 -0.046 0.000 1.076 394 L CA 1.252 55.913 54.840 -0.299 0.000 0.749 394 L CB -0.337 41.577 42.059 -0.242 0.000 0.893 394 L HN 0.256 nan 8.230 nan 0.000 0.432 395 R N 0.520 121.039 120.500 0.032 0.000 2.070 395 R HA -0.192 4.175 4.340 0.046 0.000 0.232 395 R C 1.787 178.242 176.300 0.258 0.000 1.138 395 R CA 2.272 58.483 56.100 0.184 0.000 0.936 395 R CB -0.584 29.665 30.300 -0.085 0.000 0.839 395 R HN 0.299 nan 8.270 nan 0.000 0.429 396 D N 0.611 121.098 120.400 0.145 0.000 2.116 396 D HA -0.167 4.501 4.640 0.046 0.000 0.193 396 D C 1.794 178.211 176.300 0.194 0.000 0.998 396 D CA 1.842 55.944 54.000 0.170 0.000 0.836 396 D CB -0.399 40.445 40.800 0.073 0.000 0.951 396 D HN 0.425 nan 8.370 nan 0.000 0.449 397 A N 0.489 123.396 122.820 0.144 0.000 1.902 397 A HA -0.199 4.148 4.320 0.046 0.000 0.217 397 A C 2.179 179.951 177.584 0.314 0.000 1.181 397 A CA 1.983 54.144 52.037 0.207 0.000 0.623 397 A CB -0.588 18.383 19.000 -0.047 0.000 0.818 397 A HN 0.190 nan 8.150 nan 0.000 0.443 398 M N -0.144 119.721 119.600 0.442 0.000 2.108 398 M HA -0.110 4.397 4.480 0.046 0.000 0.261 398 M C 2.292 178.682 176.300 0.149 0.000 1.066 398 M CA 2.099 57.642 55.300 0.405 0.000 1.107 398 M CB -0.569 32.328 32.600 0.496 0.000 1.356 398 M HN 0.422 nan 8.290 nan 0.000 0.406 399 S N -0.232 115.577 115.700 0.181 0.000 2.365 399 S HA -0.207 4.290 4.470 0.046 0.000 0.221 399 S C 2.073 176.750 174.600 0.128 0.000 1.037 399 S CA 2.151 60.451 58.200 0.167 0.000 1.060 399 S CB -0.926 62.432 63.200 0.264 0.000 0.974 399 S HN 0.679 nan 8.310 nan 0.000 0.427 400 A N 1.007 123.929 122.820 0.169 0.000 1.896 400 A HA -0.147 4.201 4.320 0.046 0.000 0.220 400 A C 2.409 180.017 177.584 0.040 0.000 1.206 400 A CA 2.401 54.560 52.037 0.203 0.000 0.647 400 A CB -1.524 17.713 19.000 0.394 0.000 0.828 400 A HN 0.518 nan 8.150 nan 0.000 0.455 401 V N -0.657 119.106 119.914 -0.252 0.000 2.278 401 V HA -0.295 3.852 4.120 0.046 0.000 0.251 401 V C 2.572 178.583 176.094 -0.138 0.000 1.062 401 V CA 2.295 64.352 62.300 -0.406 0.000 1.038 401 V CB -0.782 30.888 31.823 -0.254 0.000 0.646 401 V HN 0.417 nan 8.190 nan 0.000 0.447 402 V N 0.341 120.212 119.914 -0.072 0.000 2.323 402 V HA -0.088 4.059 4.120 0.046 0.000 0.244 402 V C 2.593 178.606 176.094 -0.136 0.000 1.041 402 V CA 2.010 64.268 62.300 -0.070 0.000 1.025 402 V CB -1.219 30.623 31.823 0.031 0.000 0.656 402 V HN 0.607 nan 8.190 nan 0.000 0.451 403 G N -0.359 108.418 108.800 -0.039 0.000 2.408 403 G HA2 -0.218 3.770 3.960 0.046 0.000 0.217 403 G HA3 -0.218 3.770 3.960 0.046 0.000 0.217 403 G C 1.198 176.031 174.900 -0.111 0.000 1.150 403 G CA 1.004 46.087 45.100 -0.029 0.000 0.776 403 G HN 0.500 nan 8.290 nan 0.000 0.542 404 D N -0.249 120.087 120.400 -0.108 0.000 2.091 404 D HA -0.060 4.608 4.640 0.046 0.000 0.199 404 D C 2.127 178.080 176.300 -0.578 0.000 0.980 404 D CA 1.177 55.081 54.000 -0.160 0.000 0.831 404 D CB -0.603 40.298 40.800 0.169 0.000 0.987 404 D HN 0.349 nan 8.370 nan 0.000 0.460 405 H N 0.891 119.280 119.070 -1.134 0.000 2.352 405 H HA -0.040 4.543 4.556 0.045 0.000 0.299 405 H C 1.472 176.354 175.328 -0.743 0.000 1.097 405 H CA 1.787 56.923 56.048 -1.521 0.000 1.311 405 H CB 0.035 28.896 29.762 -1.502 0.000 1.377 405 H HN -0.010 nan 8.280 nan 0.000 0.504 406 N N -1.109 117.151 118.700 -0.733 0.000 2.432 406 N HA 0.022 4.789 4.740 0.046 0.000 0.174 406 N C 1.389 176.684 175.510 -0.358 0.000 1.037 406 N CA 1.103 53.681 53.050 -0.786 0.000 0.892 406 N CB 0.916 38.476 38.487 -1.545 0.000 1.049 406 N HN 0.282 nan 8.380 nan 0.000 0.442 407 V N -0.441 119.326 119.914 -0.245 0.000 3.161 407 V HA 0.070 4.218 4.120 0.046 0.000 0.221 407 V C 2.154 178.220 176.094 -0.047 0.000 1.296 407 V CA 0.236 62.526 62.300 -0.018 0.000 1.306 407 V CB -0.049 31.861 31.823 0.145 0.000 1.171 407 V HN -0.169 nan 8.190 nan 0.000 0.513 408 V N 0.073 119.958 119.914 -0.048 0.000 2.287 408 V HA -0.310 3.838 4.120 0.046 0.000 0.248 408 V C 2.488 178.552 176.094 -0.050 0.000 1.053 408 V CA 2.631 64.913 62.300 -0.030 0.000 1.027 408 V CB -0.829 31.008 31.823 0.024 0.000 0.646 408 V HN 0.660 nan 8.190 nan 0.000 0.447 409 c N -0.471 118.091 118.600 -0.063 0.000 2.466 409 c HA 0.020 4.617 4.570 0.046 0.000 0.278 409 c C 0.591 174.649 174.090 -0.053 0.000 1.288 409 c CA 0.905 57.225 56.329 -0.014 0.000 1.722 409 c CB -1.791 40.750 42.510 0.052 0.000 2.017 409 c HN 0.454 nan 8.230 nan 0.000 0.488 410 P HA -0.082 nan 4.420 nan 0.000 0.216 410 P C 1.729 178.959 177.300 -0.117 0.000 1.150 410 P CA 1.360 64.379 63.100 -0.135 0.000 0.837 410 P CB -0.152 31.426 31.700 -0.205 0.000 0.786 411 V N -0.013 119.836 119.914 -0.108 0.000 2.343 411 V HA -0.251 3.896 4.120 0.046 0.000 0.247 411 V C 2.424 178.412 176.094 -0.177 0.000 1.051 411 V CA 2.257 64.475 62.300 -0.137 0.000 1.036 411 V CB -1.612 30.129 31.823 -0.136 0.000 0.654 411 V HN 0.102 nan 8.190 nan 0.000 0.451 412 A N -1.067 121.671 122.820 -0.137 0.000 1.902 412 A HA -0.299 4.049 4.320 0.046 0.000 0.217 412 A C 2.225 179.776 177.584 -0.055 0.000 1.181 412 A CA 2.089 54.056 52.037 -0.117 0.000 0.623 412 A CB -0.512 18.479 19.000 -0.016 0.000 0.818 412 A HN 0.597 nan 8.150 nan 0.000 0.443 413 Q N -0.974 118.807 119.800 -0.033 0.000 2.050 413 Q HA -0.167 4.200 4.340 0.046 0.000 0.202 413 Q C 2.039 178.022 176.000 -0.028 0.000 0.980 413 Q CA 1.700 57.499 55.803 -0.006 0.000 0.840 413 Q CB -0.222 28.507 28.738 -0.015 0.000 0.898 413 Q HN 0.570 nan 8.270 nan 0.000 0.424 414 L N 0.469 121.644 121.223 -0.080 0.000 2.027 414 L HA -0.078 4.289 4.340 0.046 0.000 0.206 414 L C 2.229 179.032 176.870 -0.112 0.000 1.074 414 L CA 2.105 56.884 54.840 -0.101 0.000 0.745 414 L CB -0.789 41.190 42.059 -0.134 0.000 0.898 414 L HN 0.241 nan 8.230 nan 0.000 0.433 415 A N -0.340 122.367 122.820 -0.188 0.000 1.873 415 A HA -0.183 4.165 4.320 0.046 0.000 0.218 415 A C 2.331 179.916 177.584 0.002 0.000 1.193 415 A CA 2.006 53.868 52.037 -0.291 0.000 0.629 415 A CB -1.728 16.770 19.000 -0.836 0.000 0.826 415 A HN 0.555 nan 8.150 nan 0.000 0.447 416 G N -1.197 107.676 108.800 0.122 0.000 2.402 416 G HA2 -0.164 3.823 3.960 0.046 0.000 0.216 416 G HA3 -0.164 3.823 3.960 0.046 0.000 0.216 416 G C 1.659 176.654 174.900 0.158 0.000 1.162 416 G CA 0.733 45.999 45.100 0.277 0.000 0.777 416 G HN 0.374 nan 8.290 nan 0.000 0.539 417 R N 0.297 120.855 120.500 0.097 0.000 2.092 417 R HA 0.111 4.478 4.340 0.046 0.000 0.231 417 R C 2.638 179.025 176.300 0.146 0.000 1.119 417 R CA 0.527 56.693 56.100 0.109 0.000 0.970 417 R CB -1.083 29.273 30.300 0.094 0.000 0.864 417 R HN 0.411 nan 8.270 nan 0.000 0.440 418 L N 0.040 121.302 121.223 0.065 0.000 2.056 418 L HA -0.090 4.277 4.340 0.046 0.000 0.207 418 L C 2.597 179.548 176.870 0.134 0.000 1.078 418 L CA 1.345 56.208 54.840 0.038 0.000 0.749 418 L CB -0.755 41.211 42.059 -0.155 0.000 0.901 418 L HN 0.121 nan 8.230 nan 0.000 0.433 419 A N 0.413 123.312 122.820 0.132 0.000 1.865 419 A HA -0.205 4.142 4.320 0.046 0.000 0.217 419 A C 2.580 180.231 177.584 0.111 0.000 1.191 419 A CA 1.940 54.057 52.037 0.132 0.000 0.623 419 A CB -0.862 18.251 19.000 0.189 0.000 0.826 419 A HN 0.389 nan 8.150 nan 0.000 0.444 420 A N -1.368 121.522 122.820 0.116 0.000 1.892 420 A HA -0.198 4.149 4.320 0.046 0.000 0.218 420 A C 1.914 179.556 177.584 0.098 0.000 1.188 420 A CA 1.988 54.080 52.037 0.091 0.000 0.631 420 A CB -0.471 18.582 19.000 0.089 0.000 0.822 420 A HN 0.460 nan 8.150 nan 0.000 0.447 421 Q N -1.216 118.676 119.800 0.154 0.000 2.329 421 Q HA 0.337 4.704 4.340 0.046 0.000 0.208 421 Q C 1.019 177.117 176.000 0.164 0.000 0.934 421 Q CA 0.743 56.639 55.803 0.155 0.000 0.951 421 Q CB -0.275 28.632 28.738 0.281 0.000 1.017 421 Q HN 0.971 nan 8.270 nan 0.000 0.490 422 G N -1.413 107.468 108.800 0.136 0.000 2.175 422 G HA2 -0.253 3.735 3.960 0.046 0.000 0.244 422 G HA3 -0.253 3.735 3.960 0.046 0.000 0.244 422 G C 0.315 175.291 174.900 0.126 0.000 0.982 422 G CA -0.033 45.129 45.100 0.103 0.000 0.641 422 G HN 0.620 nan 8.290 nan 0.000 0.527 423 A N -0.105 122.817 122.820 0.170 0.000 2.386 423 A HA 0.690 5.037 4.320 0.046 0.000 0.248 423 A C 0.775 178.400 177.584 0.068 0.000 1.082 423 A CA 0.535 52.651 52.037 0.133 0.000 0.789 423 A CB 0.309 19.368 19.000 0.100 0.000 1.025 423 A HN 0.849 nan 8.150 nan 0.000 0.490 424 R N 1.421 121.956 120.500 0.058 0.000 2.202 424 R HA 0.496 4.863 4.340 0.046 0.000 0.334 424 R C -1.570 174.722 176.300 -0.013 0.000 1.036 424 R CA -0.151 55.948 56.100 -0.001 0.000 0.878 424 R CB 0.365 30.692 30.300 0.044 0.000 1.067 424 R HN 0.447 nan 8.270 nan 0.000 0.457 425 V N 5.914 125.739 119.914 -0.148 0.000 2.540 425 V HA 0.402 4.549 4.120 0.046 0.000 0.302 425 V C -1.172 174.737 176.094 -0.307 0.000 1.035 425 V CA -0.780 61.464 62.300 -0.093 0.000 0.873 425 V CB 1.528 33.369 31.823 0.029 0.000 0.992 425 V HN 0.660 nan 8.190 nan 0.000 0.428 426 Y N 2.284 122.547 120.300 -0.061 0.000 2.376 426 Y HA 0.805 5.382 4.550 0.045 0.000 0.340 426 Y C 0.339 176.294 175.900 0.091 0.000 0.965 426 Y CA -0.523 57.507 58.100 -0.116 0.000 1.078 426 Y CB 2.219 40.209 38.460 -0.783 0.000 1.193 426 Y HN 0.770 nan 8.280 nan 0.000 0.452 427 A N 2.999 126.191 122.820 0.621 0.000 2.380 427 A HA 0.899 5.246 4.320 0.046 0.000 0.315 427 A C -1.851 176.178 177.584 0.741 0.000 1.101 427 A CA -0.708 51.591 52.037 0.435 0.000 0.771 427 A CB 1.184 20.249 19.000 0.108 0.000 1.287 427 A HN 0.752 nan 8.150 nan 0.000 0.436 428 Y N -0.891 119.688 120.300 0.465 0.000 2.597 428 Y HA 0.782 5.359 4.550 0.045 0.000 0.340 428 Y C -1.200 174.906 175.900 0.344 0.000 1.097 428 Y CA -1.544 56.774 58.100 0.363 0.000 1.037 428 Y CB 1.164 39.824 38.460 0.334 0.000 1.305 428 Y HN 0.731 nan 8.280 nan 0.000 0.463 429 I N 2.936 123.854 120.570 0.581 0.000 2.509 429 I HA 0.529 4.726 4.170 0.046 0.000 0.293 429 I C -1.833 174.648 176.117 0.608 0.000 1.020 429 I CA -1.112 60.490 61.300 0.503 0.000 1.088 429 I CB 1.371 39.603 38.000 0.386 0.000 1.267 429 I HN 0.737 nan 8.210 nan 0.000 0.430 430 F N 6.958 127.206 119.950 0.496 0.000 2.385 430 F HA 0.415 4.969 4.527 0.046 0.000 0.360 430 F C 0.574 176.535 175.800 0.267 0.000 1.122 430 F CA -0.000 58.231 58.000 0.386 0.000 1.090 430 F CB 1.021 40.269 39.000 0.413 0.000 1.150 430 F HN 0.557 nan 8.300 nan 0.000 0.472 431 E N 2.690 122.805 120.200 -0.141 0.000 2.601 431 E HA -0.030 4.348 4.350 0.046 0.000 0.219 431 E C -0.705 175.821 176.600 -0.122 0.000 0.964 431 E CA -0.129 56.253 56.400 -0.030 0.000 1.050 431 E CB 0.322 30.008 29.700 -0.023 0.000 1.068 431 E HN 0.526 nan 8.360 nan 0.000 0.496 432 H N 1.554 120.343 119.070 -0.468 0.000 2.652 432 H HA 0.196 4.779 4.556 0.045 0.000 0.298 432 H C -0.300 175.013 175.328 -0.025 0.000 1.076 432 H CA -0.391 55.424 56.048 -0.388 0.000 1.360 432 H CB 0.374 29.672 29.762 -0.773 0.000 1.421 432 H HN -0.163 nan 8.280 nan 0.000 0.464 433 R N 4.158 124.353 120.500 -0.508 0.000 2.316 433 R HA 0.363 4.730 4.340 0.046 0.000 0.314 433 R C -0.394 175.602 176.300 -0.507 0.000 1.069 433 R CA -0.314 55.613 56.100 -0.288 0.000 0.959 433 R CB 0.195 30.397 30.300 -0.162 0.000 0.987 433 R HN 0.840 nan 8.270 nan 0.000 0.446 434 A N 3.408 126.296 122.820 0.114 0.000 2.566 434 A HA -0.030 4.317 4.320 0.046 0.000 0.245 434 A C 1.392 179.113 177.584 0.229 0.000 1.056 434 A CA 0.619 52.979 52.037 0.538 0.000 0.757 434 A CB 0.221 19.634 19.000 0.690 0.000 0.979 434 A HN 1.028 nan 8.150 nan 0.000 0.508 435 S N 1.888 117.776 115.700 0.312 0.000 2.399 435 S HA -0.185 4.312 4.470 0.046 0.000 0.231 435 S C 1.486 176.106 174.600 0.032 0.000 1.022 435 S CA 1.696 59.983 58.200 0.145 0.000 0.983 435 S CB -0.965 62.346 63.200 0.186 0.000 0.803 435 S HN 1.312 nan 8.310 nan 0.000 0.480 436 T N -0.512 114.034 114.554 -0.014 0.000 3.194 436 T HA 0.276 4.653 4.350 0.046 0.000 0.251 436 T C 0.462 175.088 174.700 -0.122 0.000 1.132 436 T CA -0.444 61.564 62.100 -0.152 0.000 1.028 436 T CB -0.519 68.119 68.868 -0.383 0.000 0.976 436 T HN 0.194 nan 8.240 nan 0.000 0.535 437 L N 4.365 125.549 121.223 -0.066 0.000 2.534 437 L HA 0.241 4.608 4.340 0.046 0.000 0.271 437 L C 1.592 178.372 176.870 -0.150 0.000 1.178 437 L CA 0.422 55.183 54.840 -0.132 0.000 0.907 437 L CB 0.420 42.399 42.059 -0.134 0.000 1.164 437 L HN 0.479 nan 8.230 nan 0.000 0.482 438 T N 0.440 114.847 114.554 -0.245 0.000 3.043 438 T HA -0.017 4.361 4.350 0.046 0.000 0.263 438 T C 0.559 175.234 174.700 -0.042 0.000 1.094 438 T CA -0.268 61.697 62.100 -0.224 0.000 1.127 438 T CB -0.279 68.261 68.868 -0.545 0.000 0.905 438 T HN 0.415 nan 8.240 nan 0.000 0.490 439 W N 3.502 124.773 121.300 -0.047 0.000 2.137 439 W HA 0.362 5.049 4.660 0.045 0.000 0.344 439 W C -2.005 174.376 176.519 -0.229 0.000 1.286 439 W CA -2.253 55.024 57.345 -0.114 0.000 1.240 439 W CB 0.145 29.391 29.460 -0.358 0.000 1.141 439 W HN 0.004 nan 8.180 nan 0.000 0.579 440 P HA 0.003 nan 4.420 nan 0.000 0.272 440 P C 0.523 177.704 177.300 -0.199 0.000 1.230 440 P CA -0.168 62.867 63.100 -0.108 0.000 0.788 440 P CB 0.951 32.620 31.700 -0.051 0.000 0.949 441 L N 1.058 122.246 121.223 -0.059 0.000 2.021 441 L HA -0.178 4.190 4.340 0.046 0.000 0.215 441 L C 2.453 179.313 176.870 -0.017 0.000 1.074 441 L CA 2.086 56.912 54.840 -0.023 0.000 0.760 441 L CB -1.345 40.743 42.059 0.048 0.000 0.889 441 L HN 0.626 nan 8.230 nan 0.000 0.433 442 W N -1.968 119.357 121.300 0.040 0.000 2.538 442 W HA -0.159 4.527 4.660 0.044 0.000 0.254 442 W C 1.587 178.144 176.519 0.064 0.000 1.249 442 W CA 0.545 57.919 57.345 0.049 0.000 1.253 442 W CB -0.862 28.634 29.460 0.061 0.000 1.130 442 W HN 0.250 nan 8.180 nan 0.000 0.618 443 M N 0.995 120.239 119.600 -0.593 0.000 2.509 443 M HA 0.157 4.664 4.480 0.046 0.000 0.250 443 M C 1.959 178.132 176.300 -0.212 0.000 1.132 443 M CA 1.110 56.039 55.300 -0.618 0.000 1.080 443 M CB -0.345 31.702 32.600 -0.921 0.000 1.408 443 M HN 0.151 nan 8.290 nan 0.000 0.484 444 G N 1.118 109.849 108.800 -0.115 0.000 2.634 444 G HA2 -0.307 3.680 3.960 0.046 0.000 0.318 444 G HA3 -0.307 3.680 3.960 0.046 0.000 0.318 444 G C 0.044 174.936 174.900 -0.014 0.000 1.207 444 G CA 0.238 45.322 45.100 -0.026 0.000 0.987 444 G HN 0.286 nan 8.290 nan 0.000 0.547 445 V N 3.491 123.446 119.914 0.069 0.000 2.277 445 V HA 0.491 4.639 4.120 0.046 0.000 0.269 445 V C -1.930 174.282 176.094 0.197 0.000 1.036 445 V CA -0.966 61.440 62.300 0.177 0.000 0.821 445 V CB 1.295 33.289 31.823 0.285 0.000 1.052 445 V HN 0.510 nan 8.190 nan 0.000 0.462 446 P HA 0.248 nan 4.420 nan 0.000 0.276 446 P C -0.243 177.327 177.300 0.450 0.000 1.252 446 P CA -0.387 62.835 63.100 0.203 0.000 0.802 446 P CB 0.357 32.090 31.700 0.057 0.000 1.035 447 H N -0.702 118.555 119.070 0.312 0.000 2.815 447 H HA 0.377 4.961 4.556 0.047 0.000 0.350 447 H C 1.039 176.412 175.328 0.076 0.000 1.080 447 H CA -0.506 55.661 56.048 0.198 0.000 1.433 447 H CB -0.128 29.707 29.762 0.122 0.000 1.432 447 H HN 0.765 nan 8.280 nan 0.000 0.592 448 G N 1.994 110.904 108.800 0.182 0.000 2.349 448 G HA2 -0.319 3.668 3.960 0.046 0.000 0.213 448 G HA3 -0.319 3.668 3.960 0.046 0.000 0.213 448 G C 0.460 175.431 174.900 0.119 0.000 1.044 448 G CA 0.147 45.282 45.100 0.058 0.000 0.633 448 G HN 0.667 nan 8.290 nan 0.000 0.506 449 Y N 2.416 122.978 120.300 0.437 0.000 2.553 449 Y HA 0.203 4.781 4.550 0.046 0.000 0.303 449 Y C 2.476 178.554 175.900 0.297 0.000 1.194 449 Y CA 1.209 59.548 58.100 0.399 0.000 1.305 449 Y CB 0.320 39.026 38.460 0.409 0.000 1.045 449 Y HN 0.537 nan 8.280 nan 0.000 0.514 450 E N 0.321 120.530 120.200 0.015 0.000 2.276 450 E HA -0.065 4.312 4.350 0.046 0.000 0.193 450 E C 1.650 178.144 176.600 -0.176 0.000 0.983 450 E CA 0.605 56.622 56.400 -0.640 0.000 0.861 450 E CB -0.463 28.404 29.700 -1.387 0.000 0.817 450 E HN 0.543 nan 8.360 nan 0.000 0.485 451 I N 2.993 123.577 120.570 0.024 0.000 2.163 451 I HA -0.325 3.872 4.170 0.046 0.000 0.243 451 I C 2.732 178.854 176.117 0.008 0.000 1.085 451 I CA 2.203 63.552 61.300 0.080 0.000 1.347 451 I CB -0.558 37.570 38.000 0.212 0.000 1.044 451 I HN 0.210 nan 8.210 nan 0.000 0.408 452 E N 1.100 121.254 120.200 -0.077 0.000 2.171 452 E HA -0.251 4.126 4.350 0.046 0.000 0.197 452 E C 2.077 178.416 176.600 -0.435 0.000 0.997 452 E CA 1.613 57.850 56.400 -0.271 0.000 0.810 452 E CB -0.600 28.921 29.700 -0.299 0.000 0.738 452 E HN 0.458 nan 8.360 nan 0.000 0.467 453 F N 1.298 121.109 119.950 -0.231 0.000 2.149 453 F HA -0.049 4.506 4.527 0.047 0.000 0.294 453 F C 2.407 177.948 175.800 -0.431 0.000 1.095 453 F CA 0.572 58.370 58.000 -0.336 0.000 1.276 453 F CB -0.193 38.694 39.000 -0.187 0.000 1.023 453 F HN -0.046 nan 8.300 nan 0.000 0.480 454 I N -0.694 119.696 120.570 -0.300 0.000 2.208 454 I HA -0.298 3.899 4.170 0.046 0.000 0.245 454 I C 2.213 178.073 176.117 -0.428 0.000 1.097 454 I CA 1.679 62.629 61.300 -0.582 0.000 1.363 454 I CB -1.544 35.962 38.000 -0.823 0.000 1.051 454 I HN 0.086 nan 8.210 nan 0.000 0.413 455 F N 0.771 120.525 119.950 -0.327 0.000 2.558 455 F HA 0.157 4.711 4.527 0.045 0.000 0.298 455 F C 1.954 177.613 175.800 -0.236 0.000 1.119 455 F CA 1.097 58.952 58.000 -0.243 0.000 1.451 455 F CB -0.124 38.715 39.000 -0.268 0.000 1.091 455 F HN 0.305 nan 8.300 nan 0.000 0.563 456 G N -0.662 107.964 108.800 -0.290 0.000 2.148 456 G HA2 -0.249 3.738 3.960 0.046 0.000 0.203 456 G HA3 -0.249 3.738 3.960 0.046 0.000 0.203 456 G C 0.939 175.173 174.900 -1.110 0.000 0.993 456 G CA 0.206 45.005 45.100 -0.500 0.000 0.661 456 G HN 0.226 nan 8.290 nan 0.000 0.518 457 L N 0.831 121.443 121.223 -1.018 0.000 2.081 457 L HA 0.037 4.404 4.340 0.046 0.000 0.212 457 L C 0.330 176.708 176.870 -0.821 0.000 1.080 457 L CA 2.852 57.072 54.840 -1.033 0.000 0.754 457 L CB -1.031 40.722 42.059 -0.509 0.000 0.893 457 L HN 0.205 nan 8.230 nan 0.000 0.433 458 P HA -0.148 nan 4.420 nan 0.000 0.226 458 P C 1.567 178.688 177.300 -0.299 0.000 1.146 458 P CA 0.892 63.556 63.100 -0.727 0.000 0.773 458 P CB 0.043 31.240 31.700 -0.838 0.000 0.772 459 L N -1.248 119.724 121.223 -0.418 0.000 2.376 459 L HA -0.019 4.348 4.340 0.046 0.000 0.219 459 L C 0.875 177.720 176.870 -0.042 0.000 1.133 459 L CA 1.092 55.816 54.840 -0.192 0.000 0.816 459 L CB -1.012 40.966 42.059 -0.136 0.000 0.933 459 L HN -0.071 nan 8.230 nan 0.000 0.449 460 D N -0.251 120.098 120.400 -0.085 0.000 2.365 460 D HA 0.108 4.776 4.640 0.046 0.000 0.237 460 D C -1.735 174.606 176.300 0.069 0.000 1.190 460 D CA -2.213 51.855 54.000 0.114 0.000 0.867 460 D CB 1.360 42.286 40.800 0.210 0.000 1.050 460 D HN -0.049 nan 8.370 nan 0.000 0.491 461 P HA -0.109 nan 4.420 nan 0.000 0.221 461 P C 1.265 178.581 177.300 0.026 0.000 1.150 461 P CA 0.747 63.874 63.100 0.044 0.000 0.800 461 P CB 0.059 31.780 31.700 0.034 0.000 0.787 462 S N -0.926 114.788 115.700 0.024 0.000 2.500 462 S HA -0.077 4.420 4.470 0.046 0.000 0.239 462 S C 1.632 176.211 174.600 -0.034 0.000 0.989 462 S CA 0.805 59.003 58.200 -0.003 0.000 0.951 462 S CB -1.409 61.793 63.200 0.003 0.000 0.759 462 S HN 0.116 nan 8.310 nan 0.000 0.523 463 L N 0.684 121.891 121.223 -0.026 0.000 2.558 463 L HA 0.201 4.569 4.340 0.046 0.000 0.225 463 L C 0.277 176.985 176.870 -0.270 0.000 1.128 463 L CA 0.008 54.776 54.840 -0.121 0.000 0.868 463 L CB -0.507 41.533 42.059 -0.031 0.000 1.006 463 L HN 0.269 nan 8.230 nan 0.000 0.454 464 N N -1.994 116.622 118.700 -0.141 0.000 2.829 464 N HA -0.227 4.540 4.740 0.046 0.000 0.250 464 N C -0.537 174.877 175.510 -0.160 0.000 1.090 464 N CA 0.715 53.681 53.050 -0.140 0.000 0.781 464 N CB -1.910 36.479 38.487 -0.163 0.000 1.124 464 N HN 0.252 nan 8.380 nan 0.000 0.559 465 Y N 1.562 121.843 120.300 -0.031 0.000 2.411 465 Y HA 0.147 4.724 4.550 0.045 0.000 0.333 465 Y C 1.984 177.905 175.900 0.036 0.000 1.186 465 Y CA 0.184 58.291 58.100 0.012 0.000 1.381 465 Y CB 0.451 38.897 38.460 -0.024 0.000 1.273 465 Y HN 0.105 nan 8.280 nan 0.000 0.546 466 T N -2.207 112.490 114.554 0.238 0.000 2.795 466 T HA -0.032 4.346 4.350 0.046 0.000 0.314 466 T C 1.421 176.202 174.700 0.134 0.000 1.069 466 T CA 0.012 62.202 62.100 0.150 0.000 1.071 466 T CB 0.764 69.717 68.868 0.142 0.000 0.988 466 T HN 0.866 nan 8.240 nan 0.000 0.543 467 T N -1.075 113.528 114.554 0.082 0.000 2.867 467 T HA -0.084 4.293 4.350 0.046 0.000 0.268 467 T C 1.533 176.267 174.700 0.057 0.000 1.057 467 T CA 1.276 63.413 62.100 0.061 0.000 1.136 467 T CB -0.573 68.318 68.868 0.038 0.000 0.874 467 T HN 0.746 nan 8.240 nan 0.000 0.466 468 E N 1.462 121.692 120.200 0.051 0.000 2.077 468 E HA -0.093 4.284 4.350 0.046 0.000 0.193 468 E C 2.340 178.970 176.600 0.050 0.000 0.989 468 E CA 1.519 57.931 56.400 0.020 0.000 0.800 468 E CB -0.241 29.445 29.700 -0.023 0.000 0.746 468 E HN 0.706 nan 8.360 nan 0.000 0.452 469 E N 0.225 120.495 120.200 0.117 0.000 2.153 469 E HA -0.200 4.178 4.350 0.046 0.000 0.194 469 E C 2.137 178.850 176.600 0.188 0.000 0.988 469 E CA 0.706 57.261 56.400 0.258 0.000 0.811 469 E CB -0.069 29.910 29.700 0.464 0.000 0.746 469 E HN 0.125 nan 8.360 nan 0.000 0.466 470 R N 1.051 121.602 120.500 0.085 0.000 2.075 470 R HA -0.132 4.236 4.340 0.046 0.000 0.232 470 R C 2.210 178.515 176.300 0.009 0.000 1.126 470 R CA 1.158 57.258 56.100 -0.001 0.000 0.963 470 R CB -0.204 30.099 30.300 0.005 0.000 0.858 470 R HN 0.121 nan 8.270 nan 0.000 0.435 471 I N 0.515 121.111 120.570 0.042 0.000 2.226 471 I HA -0.258 3.939 4.170 0.046 0.000 0.245 471 I C 2.241 178.401 176.117 0.072 0.000 1.100 471 I CA 1.041 62.363 61.300 0.036 0.000 1.374 471 I CB -0.383 37.637 38.000 0.033 0.000 1.057 471 I HN 0.165 nan 8.210 nan 0.000 0.413 472 F N 1.960 121.862 119.950 -0.080 0.000 2.102 472 F HA -0.178 4.377 4.527 0.047 0.000 0.298 472 F C 2.474 178.251 175.800 -0.039 0.000 1.105 472 F CA 1.253 59.194 58.000 -0.099 0.000 1.239 472 F CB -0.746 38.129 39.000 -0.208 0.000 0.991 472 F HN 0.014 nan 8.300 nan 0.000 0.474 473 A N 0.032 122.786 122.820 -0.110 0.000 1.940 473 A HA -0.248 4.100 4.320 0.046 0.000 0.219 473 A C 2.157 179.605 177.584 -0.226 0.000 1.176 473 A CA 1.869 53.768 52.037 -0.229 0.000 0.631 473 A CB -0.893 17.979 19.000 -0.214 0.000 0.814 473 A HN 0.630 nan 8.150 nan 0.000 0.446 474 Q N -0.831 118.883 119.800 -0.144 0.000 2.124 474 Q HA -0.159 4.208 4.340 0.046 0.000 0.202 474 Q C 2.380 178.279 176.000 -0.167 0.000 0.977 474 Q CA 1.461 57.191 55.803 -0.122 0.000 0.850 474 Q CB -0.163 28.533 28.738 -0.070 0.000 0.901 474 Q HN 0.637 nan 8.270 nan 0.000 0.429 475 R N 0.292 120.676 120.500 -0.193 0.000 2.073 475 R HA -0.099 4.268 4.340 0.046 0.000 0.234 475 R C 2.350 178.361 176.300 -0.481 0.000 1.134 475 R CA 1.133 57.023 56.100 -0.351 0.000 0.952 475 R CB -0.336 29.852 30.300 -0.186 0.000 0.850 475 R HN 0.245 nan 8.270 nan 0.000 0.433 476 L N 0.152 121.188 121.223 -0.311 0.000 2.046 476 L HA -0.184 4.184 4.340 0.046 0.000 0.208 476 L C 2.511 179.351 176.870 -0.049 0.000 1.077 476 L CA 1.385 56.137 54.840 -0.146 0.000 0.747 476 L CB -0.344 41.439 42.059 -0.459 0.000 0.896 476 L HN 0.269 nan 8.230 nan 0.000 0.432 477 M N -0.962 118.544 119.600 -0.157 0.000 2.229 477 M HA -0.160 4.348 4.480 0.046 0.000 0.264 477 M C 2.259 178.568 176.300 0.014 0.000 1.063 477 M CA 1.396 56.643 55.300 -0.090 0.000 1.114 477 M CB -0.222 32.306 32.600 -0.120 0.000 1.387 477 M HN 0.063 nan 8.290 nan 0.000 0.420 478 K N -0.195 120.174 120.400 -0.051 0.000 2.057 478 K HA -0.116 4.231 4.320 0.046 0.000 0.206 478 K C 1.910 178.577 176.600 0.110 0.000 1.050 478 K CA 1.536 57.804 56.287 -0.033 0.000 0.935 478 K CB -0.224 32.190 32.500 -0.142 0.000 0.715 478 K HN 0.298 nan 8.250 nan 0.000 0.439 479 Y N -0.123 120.328 120.300 0.252 0.000 2.114 479 Y HA -0.221 4.356 4.550 0.045 0.000 0.284 479 Y C 2.420 178.459 175.900 0.232 0.000 1.143 479 Y CA 0.747 59.027 58.100 0.301 0.000 1.135 479 Y CB -0.904 37.900 38.460 0.573 0.000 0.980 479 Y HN 0.206 nan 8.280 nan 0.000 0.499 480 W N 0.605 121.994 121.300 0.147 0.000 2.335 480 W HA -0.241 4.446 4.660 0.045 0.000 0.311 480 W C 2.492 179.015 176.519 0.007 0.000 1.213 480 W CA 2.308 59.663 57.345 0.017 0.000 1.274 480 W CB -0.685 28.694 29.460 -0.135 0.000 1.148 480 W HN 0.253 nan 8.180 nan 0.000 0.498 481 T N -2.384 112.281 114.554 0.184 0.000 2.896 481 T HA -0.110 4.267 4.350 0.046 0.000 0.263 481 T C 1.463 176.196 174.700 0.054 0.000 1.050 481 T CA 1.084 63.225 62.100 0.069 0.000 1.140 481 T CB -0.607 68.281 68.868 0.032 0.000 0.877 481 T HN -0.095 nan 8.240 nan 0.000 0.457 482 N N 1.099 119.847 118.700 0.079 0.000 2.069 482 N HA -0.040 4.728 4.740 0.046 0.000 0.191 482 N C 1.402 176.904 175.510 -0.014 0.000 1.031 482 N CA 1.190 54.262 53.050 0.037 0.000 0.852 482 N CB -0.769 37.760 38.487 0.070 0.000 1.018 482 N HN 0.459 nan 8.380 nan 0.000 0.423 483 F N 1.742 121.603 119.950 -0.149 0.000 2.091 483 F HA -0.192 4.363 4.527 0.046 0.000 0.299 483 F C 2.214 177.932 175.800 -0.137 0.000 1.103 483 F CA 1.588 59.446 58.000 -0.236 0.000 1.228 483 F CB -0.485 38.282 39.000 -0.388 0.000 0.984 483 F HN 0.057 nan 8.300 nan 0.000 0.477 484 A N 0.222 123.018 122.820 -0.040 0.000 1.908 484 A HA -0.215 4.132 4.320 0.046 0.000 0.218 484 A C 2.376 179.878 177.584 -0.137 0.000 1.181 484 A CA 1.875 53.863 52.037 -0.083 0.000 0.627 484 A CB -0.759 18.237 19.000 -0.006 0.000 0.818 484 A HN 0.468 nan 8.150 nan 0.000 0.445 485 R N -1.397 119.039 120.500 -0.106 0.000 2.073 485 R HA -0.070 4.297 4.340 0.046 0.000 0.229 485 R C 2.070 178.292 176.300 -0.130 0.000 1.120 485 R CA 1.863 57.911 56.100 -0.087 0.000 0.967 485 R CB -0.070 30.201 30.300 -0.048 0.000 0.862 485 R HN 0.752 nan 8.270 nan 0.000 0.436 486 T N -6.284 108.159 114.554 -0.184 0.000 2.966 486 T HA 0.239 4.617 4.350 0.046 0.000 0.254 486 T C 1.178 175.736 174.700 -0.238 0.000 0.961 486 T CA 0.445 62.446 62.100 -0.164 0.000 0.915 486 T CB 1.324 70.129 68.868 -0.106 0.000 1.186 486 T HN 0.290 nan 8.240 nan 0.000 0.505 487 G N 1.307 109.829 108.800 -0.463 0.000 2.157 487 G HA2 -0.144 3.843 3.960 0.046 0.000 0.239 487 G HA3 -0.144 3.843 3.960 0.046 0.000 0.239 487 G C -0.382 174.325 174.900 -0.322 0.000 0.982 487 G CA 0.148 44.863 45.100 -0.640 0.000 0.650 487 G HN 0.774 nan 8.290 nan 0.000 0.527 488 D N -0.277 119.955 120.400 -0.280 0.000 2.686 488 D HA 0.454 5.121 4.640 0.046 0.000 0.249 488 D C -1.563 174.535 176.300 -0.337 0.000 1.260 488 D CA -1.659 52.138 54.000 -0.339 0.000 0.910 488 D CB 2.197 42.928 40.800 -0.115 0.000 1.323 488 D HN 0.008 nan 8.370 nan 0.000 0.561 489 P HA -0.029 nan 4.420 nan 0.000 0.237 489 P C 0.010 177.345 177.300 0.058 0.000 1.178 489 P CA 0.110 63.043 63.100 -0.278 0.000 0.766 489 P CB 0.354 31.580 31.700 -0.789 0.000 0.876 490 N N 1.470 120.154 118.700 -0.026 0.000 2.530 490 N HA 0.038 4.805 4.740 0.046 0.000 0.273 490 N C -0.017 175.570 175.510 0.128 0.000 1.173 490 N CA 0.144 53.282 53.050 0.147 0.000 0.967 490 N CB 0.546 39.102 38.487 0.116 0.000 1.109 490 N HN -0.034 nan 8.380 nan 0.000 0.453 491 D N 2.261 122.759 120.400 0.164 0.000 2.346 491 D HA 0.074 4.741 4.640 0.046 0.000 0.260 491 D C -1.424 174.923 176.300 0.077 0.000 1.252 491 D CA -1.383 52.678 54.000 0.102 0.000 0.895 491 D CB 0.959 41.815 40.800 0.093 0.000 1.097 491 D HN 0.303 nan 8.370 nan 0.000 0.489 492 P HA -0.017 nan 4.420 nan 0.000 0.252 492 P C 0.784 178.107 177.300 0.040 0.000 1.265 492 P CA 0.417 63.542 63.100 0.043 0.000 0.775 492 P CB 0.202 31.919 31.700 0.028 0.000 1.128 493 R N -0.359 120.167 120.500 0.043 0.000 2.142 493 R HA 0.099 4.466 4.340 0.046 0.000 0.204 493 R C 1.140 177.466 176.300 0.044 0.000 1.059 493 R CA 0.582 56.705 56.100 0.037 0.000 1.055 493 R CB -0.955 29.363 30.300 0.031 0.000 0.976 493 R HN 0.197 nan 8.270 nan 0.000 0.483 494 D N -0.233 120.200 120.400 0.056 0.000 2.423 494 D HA 0.479 5.146 4.640 0.046 0.000 0.255 494 D C -0.799 175.542 176.300 0.068 0.000 1.174 494 D CA 0.209 54.246 54.000 0.062 0.000 1.008 494 D CB 1.579 42.424 40.800 0.074 0.000 1.101 494 D HN 0.314 nan 8.370 nan 0.000 0.516 495 S N 0.091 115.831 115.700 0.066 0.000 2.550 495 S HA 0.209 4.706 4.470 0.046 0.000 0.270 495 S C -0.631 174.007 174.600 0.064 0.000 1.145 495 S CA -0.843 57.395 58.200 0.064 0.000 0.852 495 S CB 2.156 65.386 63.200 0.050 0.000 1.119 495 S HN 0.478 nan 8.310 nan 0.000 0.465 496 K N -0.608 119.830 120.400 0.065 0.000 3.048 496 K HA -0.162 4.185 4.320 0.046 0.000 0.274 496 K C 0.633 177.271 176.600 0.063 0.000 1.098 496 K CA 0.835 57.157 56.287 0.058 0.000 0.807 496 K CB -2.543 29.983 32.500 0.044 0.000 1.217 496 K HN 0.501 nan 8.250 nan 0.000 0.477 497 S N 0.065 115.816 115.700 0.084 0.000 2.562 497 S HA 0.044 4.541 4.470 0.046 0.000 0.221 497 S C -1.405 173.250 174.600 0.091 0.000 0.975 497 S CA -0.087 58.170 58.200 0.094 0.000 0.918 497 S CB -0.076 63.200 63.200 0.127 0.000 0.772 497 S HN 0.380 nan 8.310 nan 0.000 0.531 498 P HA 0.149 nan 4.420 nan 0.000 0.282 498 P C -0.173 177.202 177.300 0.125 0.000 1.286 498 P CA -0.322 62.826 63.100 0.081 0.000 0.777 498 P CB 0.330 32.062 31.700 0.053 0.000 1.184 499 Q N -0.694 119.188 119.800 0.137 0.000 2.340 499 Q HA 0.090 4.457 4.340 0.046 0.000 0.249 499 Q C -0.553 175.602 176.000 0.258 0.000 0.957 499 Q CA -0.002 55.919 55.803 0.197 0.000 0.882 499 Q CB 0.384 29.228 28.738 0.178 0.000 1.235 499 Q HN 0.508 nan 8.270 nan 0.000 0.439 500 W N 6.342 127.691 121.300 0.082 0.000 2.546 500 W HA 0.228 4.916 4.660 0.048 0.000 0.323 500 W C -2.415 174.243 176.519 0.232 0.000 1.272 500 W CA -2.313 55.089 57.345 0.094 0.000 1.404 500 W CB 0.112 29.557 29.460 -0.025 0.000 1.411 500 W HN 0.384 nan 8.180 nan 0.000 0.480 501 P HA 0.285 nan 4.420 nan 0.000 0.281 501 P C -2.648 174.866 177.300 0.356 0.000 1.249 501 P CA -1.930 61.410 63.100 0.400 0.000 0.810 501 P CB 0.809 32.651 31.700 0.236 0.000 1.008 502 P HA 0.049 nan 4.420 nan 0.000 0.268 502 P C -0.550 176.731 177.300 -0.031 0.000 1.205 502 P CA 0.197 63.075 63.100 -0.371 0.000 0.771 502 P CB -0.008 31.473 31.700 -0.366 0.000 0.858 503 Y N 3.228 123.466 120.300 -0.103 0.000 2.442 503 Y HA 0.320 4.896 4.550 0.045 0.000 0.330 503 Y C 0.469 176.356 175.900 -0.022 0.000 1.129 503 Y CA 0.753 58.869 58.100 0.027 0.000 1.365 503 Y CB 0.319 38.819 38.460 0.068 0.000 1.233 503 Y HN 0.417 nan 8.280 nan 0.000 0.529 504 T N 0.210 114.510 114.554 -0.423 0.000 2.906 504 T HA 0.266 4.643 4.350 0.046 0.000 0.295 504 T C 0.728 175.168 174.700 -0.432 0.000 1.075 504 T CA -0.250 61.691 62.100 -0.265 0.000 1.005 504 T CB 1.353 70.133 68.868 -0.146 0.000 1.136 504 T HN 0.601 nan 8.240 nan 0.000 0.498 505 T N 0.057 114.508 114.554 -0.171 0.000 2.867 505 T HA 0.055 4.432 4.350 0.046 0.000 0.268 505 T C 2.269 176.904 174.700 -0.109 0.000 1.057 505 T CA 0.876 62.910 62.100 -0.109 0.000 1.136 505 T CB -0.711 68.163 68.868 0.010 0.000 0.874 505 T HN 0.852 nan 8.240 nan 0.000 0.466 506 A N 2.163 124.926 122.820 -0.094 0.000 1.828 506 A HA 0.325 4.672 4.320 0.046 0.000 0.215 506 A C 2.766 180.302 177.584 -0.080 0.000 1.203 506 A CA 1.784 53.783 52.037 -0.063 0.000 0.614 506 A CB -1.420 17.554 19.000 -0.043 0.000 0.844 506 A HN 0.595 nan 8.150 nan 0.000 0.445 507 A N -2.276 120.479 122.820 -0.109 0.000 1.930 507 A HA 0.083 4.430 4.320 0.046 0.000 0.215 507 A C 1.177 178.691 177.584 -0.116 0.000 1.176 507 A CA 1.323 53.310 52.037 -0.084 0.000 0.632 507 A CB -0.436 18.529 19.000 -0.058 0.000 0.819 507 A HN 0.660 nan 8.150 nan 0.000 0.445 508 Q N -0.925 118.683 119.800 -0.321 0.000 2.481 508 Q HA -0.218 4.149 4.340 0.046 0.000 0.272 508 Q C -0.653 175.366 176.000 0.033 0.000 1.157 508 Q CA 0.691 56.211 55.803 -0.471 0.000 0.935 508 Q CB -1.922 26.749 28.738 -0.111 0.000 1.338 508 Q HN 0.856 nan 8.270 nan 0.000 0.494 509 Q N 0.434 120.256 119.800 0.036 0.000 2.332 509 Q HA 0.395 4.763 4.340 0.046 0.000 0.263 509 Q C -0.391 175.906 176.000 0.495 0.000 0.979 509 Q CA 0.249 56.175 55.803 0.206 0.000 0.885 509 Q CB 0.415 29.223 28.738 0.116 0.000 1.218 509 Q HN 0.333 nan 8.270 nan 0.000 0.405 510 Y N -1.568 118.891 120.300 0.266 0.000 2.597 510 Y HA 0.678 5.255 4.550 0.044 0.000 0.340 510 Y C -1.048 174.887 175.900 0.059 0.000 1.097 510 Y CA -1.605 56.662 58.100 0.278 0.000 1.037 510 Y CB 0.494 39.116 38.460 0.271 0.000 1.305 510 Y HN 0.351 nan 8.280 nan 0.000 0.463 511 V N -0.136 119.686 119.914 -0.155 0.000 2.850 511 V HA 0.823 4.971 4.120 0.046 0.000 0.315 511 V C -0.115 175.860 176.094 -0.197 0.000 1.064 511 V CA -0.585 61.456 62.300 -0.431 0.000 0.979 511 V CB 1.305 32.572 31.823 -0.926 0.000 1.039 511 V HN 1.115 nan 8.190 nan 0.000 0.452 512 S N 3.755 119.348 115.700 -0.178 0.000 2.465 512 S HA 0.634 5.131 4.470 0.046 0.000 0.279 512 S C -0.392 174.157 174.600 -0.086 0.000 1.201 512 S CA -0.665 57.511 58.200 -0.039 0.000 1.053 512 S CB 0.406 63.577 63.200 -0.047 0.000 0.953 512 S HN 0.721 nan 8.310 nan 0.000 0.488 513 L N 4.511 125.737 121.223 0.006 0.000 2.268 513 L HA 0.452 4.820 4.340 0.046 0.000 0.289 513 L C -0.028 176.718 176.870 -0.207 0.000 1.064 513 L CA -0.383 54.484 54.840 0.046 0.000 0.824 513 L CB -0.453 41.740 42.059 0.224 0.000 1.202 513 L HN 0.900 nan 8.230 nan 0.000 0.433 514 N N 2.308 120.790 118.700 -0.363 0.000 3.439 514 N HA 0.341 5.109 4.740 0.046 0.000 0.313 514 N C 0.209 175.050 175.510 -1.114 0.000 1.598 514 N CA -0.944 51.605 53.050 -0.836 0.000 0.830 514 N CB 0.646 38.875 38.487 -0.429 0.000 1.849 514 N HN 0.158 nan 8.380 nan 0.000 0.598 515 L N -0.614 120.052 121.223 -0.929 0.000 2.109 515 L HA 0.116 4.483 4.340 0.046 0.000 0.207 515 L C 0.571 177.228 176.870 -0.355 0.000 1.086 515 L CA 0.884 55.289 54.840 -0.726 0.000 0.760 515 L CB -0.445 41.309 42.059 -0.508 0.000 0.910 515 L HN 0.379 nan 8.230 nan 0.000 0.437 516 K N 0.675 120.918 120.400 -0.262 0.000 2.380 516 K HA 0.124 4.472 4.320 0.046 0.000 0.267 516 K C -2.150 174.384 176.600 -0.111 0.000 0.990 516 K CA -1.681 54.518 56.287 -0.146 0.000 0.946 516 K CB -0.243 32.188 32.500 -0.115 0.000 0.937 516 K HN -0.158 nan 8.250 nan 0.000 0.491 517 P HA -0.071 nan 4.420 nan 0.000 0.270 517 P C -0.265 177.026 177.300 -0.015 0.000 1.227 517 P CA -0.042 63.059 63.100 0.001 0.000 0.788 517 P CB 0.356 32.063 31.700 0.012 0.000 0.926 518 L N 0.984 122.217 121.223 0.017 0.000 2.615 518 L HA -0.075 4.293 4.340 0.046 0.000 0.284 518 L C 1.148 177.971 176.870 -0.078 0.000 1.237 518 L CA 0.872 55.674 54.840 -0.064 0.000 0.905 518 L CB -0.341 41.674 42.059 -0.073 0.000 1.149 518 L HN 0.476 nan 8.230 nan 0.000 0.499 519 E N 3.251 123.377 120.200 -0.124 0.000 2.165 519 E HA 0.354 4.731 4.350 0.046 0.000 0.266 519 E C -1.194 175.299 176.600 -0.179 0.000 0.889 519 E CA -0.824 55.506 56.400 -0.117 0.000 0.756 519 E CB 1.736 31.375 29.700 -0.103 0.000 1.131 519 E HN 0.315 nan 8.360 nan 0.000 0.411 520 V N 5.077 124.905 119.914 -0.143 0.000 2.508 520 V HA 0.268 4.415 4.120 0.046 0.000 0.281 520 V C 0.480 176.430 176.094 -0.239 0.000 1.041 520 V CA 0.140 62.336 62.300 -0.173 0.000 1.016 520 V CB 0.630 32.415 31.823 -0.063 0.000 0.984 520 V HN 0.700 nan 8.190 nan 0.000 0.478 521 R N 3.813 124.035 120.500 -0.463 0.000 2.919 521 R HA 0.750 5.117 4.340 0.046 0.000 0.260 521 R C -0.757 175.351 176.300 -0.320 0.000 1.067 521 R CA -1.019 54.794 56.100 -0.478 0.000 1.003 521 R CB 2.247 32.101 30.300 -0.744 0.000 1.192 521 R HN 0.598 nan 8.270 nan 0.000 0.488 522 R N -0.001 120.490 120.500 -0.015 0.000 2.513 522 R HA 0.483 4.850 4.340 0.046 0.000 0.301 522 R C -0.965 175.526 176.300 0.318 0.000 0.968 522 R CA -0.536 55.659 56.100 0.160 0.000 0.872 522 R CB 2.207 32.551 30.300 0.072 0.000 1.177 522 R HN 0.892 nan 8.270 nan 0.000 0.444 523 G N 2.616 111.667 108.800 0.419 0.000 3.269 523 G HA2 -0.183 3.804 3.960 0.046 0.000 0.668 523 G HA3 -0.183 3.804 3.960 0.046 0.000 0.668 523 G C -1.158 173.942 174.900 0.333 0.000 1.100 523 G CA -0.956 44.336 45.100 0.319 0.000 0.940 523 G HN 0.373 nan 8.290 nan 0.000 0.438 524 L N 4.246 125.547 121.223 0.131 0.000 2.356 524 L HA 0.512 4.879 4.340 0.046 0.000 0.282 524 L C 1.624 178.500 176.870 0.011 0.000 1.132 524 L CA -0.356 54.368 54.840 -0.192 0.000 0.923 524 L CB -0.580 41.278 42.059 -0.334 0.000 1.278 524 L HN 0.672 nan 8.230 nan 0.000 0.436 525 R N 2.848 123.401 120.500 0.088 0.000 3.322 525 R HA -0.287 4.081 4.340 0.046 0.000 0.253 525 R C 1.360 177.764 176.300 0.173 0.000 0.987 525 R CA 0.670 56.863 56.100 0.155 0.000 0.666 525 R CB -2.075 28.333 30.300 0.179 0.000 1.072 525 R HN 0.758 nan 8.270 nan 0.000 0.447 526 A N 0.642 123.560 122.820 0.163 0.000 1.892 526 A HA -0.267 4.080 4.320 0.046 0.000 0.218 526 A C 2.095 179.774 177.584 0.159 0.000 1.188 526 A CA 1.395 53.527 52.037 0.158 0.000 0.631 526 A CB -0.118 18.969 19.000 0.146 0.000 0.822 526 A HN 0.399 nan 8.150 nan 0.000 0.447 527 Q N -0.743 119.151 119.800 0.156 0.000 2.046 527 Q HA -0.107 4.260 4.340 0.046 0.000 0.200 527 Q C 2.248 178.367 176.000 0.199 0.000 0.975 527 Q CA 2.121 58.017 55.803 0.156 0.000 0.836 527 Q CB -1.167 27.651 28.738 0.135 0.000 0.896 527 Q HN 0.669 nan 8.270 nan 0.000 0.428 528 T N 0.409 115.112 114.554 0.247 0.000 2.857 528 T HA -0.085 4.292 4.350 0.046 0.000 0.266 528 T C 2.045 176.981 174.700 0.392 0.000 1.048 528 T CA 1.020 63.298 62.100 0.296 0.000 1.139 528 T CB -0.228 68.880 68.868 0.401 0.000 0.874 528 T HN 0.301 nan 8.240 nan 0.000 0.455 529 c N 1.650 120.459 118.600 0.348 0.000 2.450 529 c HA 0.229 4.826 4.570 0.046 0.000 0.279 529 c C 3.160 177.408 174.090 0.263 0.000 1.335 529 c CA 0.064 56.601 56.329 0.347 0.000 1.749 529 c CB -1.356 41.291 42.510 0.229 0.000 1.963 529 c HN 0.637 nan 8.230 nan 0.000 0.501 530 A N 0.329 123.271 122.820 0.203 0.000 1.933 530 A HA -0.202 4.145 4.320 0.046 0.000 0.218 530 A C 1.886 179.563 177.584 0.155 0.000 1.175 530 A CA 1.694 53.825 52.037 0.157 0.000 0.628 530 A CB -0.807 18.273 19.000 0.132 0.000 0.814 530 A HN 0.562 nan 8.150 nan 0.000 0.444 531 F N -0.925 119.005 119.950 -0.032 0.000 2.102 531 F HA -0.175 4.382 4.527 0.049 0.000 0.298 531 F C 1.947 177.686 175.800 -0.101 0.000 1.105 531 F CA 1.752 59.650 58.000 -0.170 0.000 1.239 531 F CB -0.526 38.093 39.000 -0.635 0.000 0.991 531 F HN 0.379 nan 8.300 nan 0.000 0.474 532 W N 0.546 121.782 121.300 -0.108 0.000 2.409 532 W HA -0.104 4.582 4.660 0.044 0.000 0.299 532 W C 2.166 178.611 176.519 -0.123 0.000 1.203 532 W CA 0.953 58.195 57.345 -0.171 0.000 1.298 532 W CB -0.438 29.073 29.460 0.086 0.000 1.127 532 W HN -0.044 nan 8.180 nan 0.000 0.528 533 N N -0.442 118.378 118.700 0.200 0.000 2.395 533 N HA 0.032 4.799 4.740 0.046 0.000 0.175 533 N C 1.471 177.012 175.510 0.052 0.000 1.029 533 N CA 0.885 54.003 53.050 0.113 0.000 0.897 533 N CB -0.235 38.318 38.487 0.111 0.000 0.991 533 N HN 0.217 nan 8.380 nan 0.000 0.441 534 R N -1.303 119.228 120.500 0.051 0.000 2.164 534 R HA 0.234 4.602 4.340 0.046 0.000 0.198 534 R C 1.337 177.661 176.300 0.040 0.000 1.028 534 R CA 0.122 56.253 56.100 0.052 0.000 1.083 534 R CB -0.060 30.293 30.300 0.089 0.000 1.026 534 R HN 0.064 nan 8.270 nan 0.000 0.514 535 F N 1.178 121.033 119.950 -0.158 0.000 2.243 535 F HA 0.101 4.656 4.527 0.047 0.000 0.287 535 F C 1.905 177.538 175.800 -0.279 0.000 1.067 535 F CA 0.676 58.563 58.000 -0.188 0.000 1.304 535 F CB -0.251 38.659 39.000 -0.149 0.000 1.087 535 F HN -0.160 nan 8.300 nan 0.000 0.513 536 L N 1.140 122.007 121.223 -0.594 0.000 2.010 536 L HA -0.218 4.150 4.340 0.046 0.000 0.219 536 L C -0.405 176.219 176.870 -0.408 0.000 1.077 536 L CA 2.611 57.077 54.840 -0.623 0.000 0.773 536 L CB -2.148 39.562 42.059 -0.582 0.000 0.892 536 L HN 0.099 nan 8.230 nan 0.000 0.436 537 P HA -0.216 nan 4.420 nan 0.000 0.216 537 P C 1.459 178.628 177.300 -0.218 0.000 1.157 537 P CA 1.721 64.716 63.100 -0.175 0.000 0.880 537 P CB -0.048 31.590 31.700 -0.104 0.000 0.791 538 K N -1.091 119.138 120.400 -0.284 0.000 2.026 538 K HA -0.144 4.204 4.320 0.046 0.000 0.208 538 K C 2.006 178.396 176.600 -0.349 0.000 1.048 538 K CA 1.107 57.229 56.287 -0.276 0.000 0.929 538 K CB -1.023 31.324 32.500 -0.254 0.000 0.713 538 K HN 0.067 nan 8.250 nan 0.000 0.439 539 L N 1.538 122.410 121.223 -0.586 0.000 2.083 539 L HA -0.134 4.233 4.340 0.046 0.000 0.209 539 L C 1.877 178.591 176.870 -0.260 0.000 1.083 539 L CA 1.500 56.049 54.840 -0.486 0.000 0.752 539 L CB -0.272 41.396 42.059 -0.653 0.000 0.899 539 L HN 0.134 nan 8.230 nan 0.000 0.433 540 L N -1.070 120.015 121.223 -0.231 0.000 2.068 540 L HA -0.032 4.335 4.340 0.046 0.000 0.204 540 L C 1.590 178.392 176.870 -0.112 0.000 1.076 540 L CA 0.907 55.662 54.840 -0.142 0.000 0.753 540 L CB -0.567 41.423 42.059 -0.116 0.000 0.910 540 L HN 0.371 nan 8.230 nan 0.000 0.439 541 S N 0.151 115.779 115.700 -0.119 0.000 3.864 541 S HA 0.466 4.963 4.470 0.046 0.000 0.202 541 S C 0.534 175.083 174.600 -0.084 0.000 1.402 541 S CA 0.181 58.328 58.200 -0.089 0.000 1.072 541 S CB 0.141 63.294 63.200 -0.079 0.000 1.383 541 S HN 0.363 nan 8.310 nan 0.000 0.458 542 A N -0.003 122.769 122.820 -0.080 0.000 2.402 542 A HA 0.299 4.647 4.320 0.046 0.000 0.220 542 A C 0.422 177.971 177.584 -0.059 0.000 2.882 542 A CA -0.147 51.852 52.037 -0.064 0.000 1.576 542 A CB -1.366 17.593 19.000 -0.069 0.000 0.195 542 A HN 1.036 nan 8.150 nan 0.000 0.557 543 T N 0.059 114.574 114.554 -0.066 0.000 0.578 543 T HA 0.380 4.757 4.350 0.046 0.000 0.769 543 T C 0.088 174.757 174.700 -0.052 0.000 0.992 543 T CA 1.517 63.583 62.100 -0.056 0.000 4.055 543 T CB -1.234 67.611 68.868 -0.039 0.000 2.290 543 T HN 2.514 nan 8.240 nan 0.000 0.395 544 A N 0.000 122.786 122.820 -0.057 0.000 2.254 544 A HA 0.000 4.347 4.320 0.046 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.027 19.000 0.046 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486