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 3dl4_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 LVGcPPGGAG GNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.042 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.716 29.700 0.027 0.000 0.812 5 D N 2.570 123.004 120.400 0.055 0.000 2.343 5 D HA 0.174 4.839 4.640 0.041 0.000 0.255 5 D C -1.610 174.735 176.300 0.076 0.000 1.187 5 D CA -1.949 52.098 54.000 0.078 0.000 0.875 5 D CB 1.583 42.454 40.800 0.117 0.000 1.136 5 D HN 0.157 nan 8.370 nan 0.000 0.469 6 P HA -0.032 nan 4.420 nan 0.000 0.233 6 P C 1.052 178.380 177.300 0.045 0.000 1.167 6 P CA 0.448 63.574 63.100 0.043 0.000 0.770 6 P CB 0.411 32.123 31.700 0.020 0.000 0.837 7 Q N -0.543 119.283 119.800 0.042 0.000 2.297 7 Q HA 0.052 4.416 4.340 0.041 0.000 0.204 7 Q C 1.432 177.534 176.000 0.169 0.000 0.962 7 Q CA 0.954 56.769 55.803 0.019 0.000 0.879 7 Q CB -0.245 28.388 28.738 -0.175 0.000 0.947 7 Q HN 0.395 nan 8.270 nan 0.000 0.462 8 L N 0.221 121.553 121.223 0.181 0.000 2.791 8 L HA 0.304 4.669 4.340 0.041 0.000 0.239 8 L C 0.202 177.255 176.870 0.304 0.000 1.203 8 L CA -0.098 54.867 54.840 0.208 0.000 1.002 8 L CB 0.356 42.454 42.059 0.064 0.000 1.295 8 L HN -0.030 nan 8.230 nan 0.000 0.504 9 L N 0.958 122.327 121.223 0.242 0.000 2.406 9 L HA 0.610 4.975 4.340 0.041 0.000 0.270 9 L C -1.223 175.689 176.870 0.070 0.000 0.982 9 L CA -0.414 54.528 54.840 0.169 0.000 0.843 9 L CB 2.187 44.304 42.059 0.096 0.000 1.225 9 L HN -0.201 nan 8.230 nan 0.000 0.412 10 V N 4.021 123.940 119.914 0.009 0.000 2.789 10 V HA 0.515 4.660 4.120 0.041 0.000 0.311 10 V C -0.462 175.544 176.094 -0.147 0.000 1.073 10 V CA -0.784 61.375 62.300 -0.235 0.000 0.921 10 V CB 2.313 33.692 31.823 -0.740 0.000 1.009 10 V HN 0.710 nan 8.190 nan 0.000 0.426 11 R N 3.034 123.429 120.500 -0.175 0.000 2.246 11 R HA 0.693 5.058 4.340 0.041 0.000 0.332 11 R C -0.585 175.627 176.300 -0.147 0.000 0.974 11 R CA -0.342 55.693 56.100 -0.109 0.000 0.837 11 R CB 1.426 31.668 30.300 -0.096 0.000 1.145 11 R HN 0.746 nan 8.270 nan 0.000 0.467 12 V N 1.974 121.853 119.914 -0.059 0.000 3.262 12 V HA 0.393 4.538 4.120 0.041 0.000 0.313 12 V C 1.442 177.474 176.094 -0.105 0.000 1.070 12 V CA -0.697 61.575 62.300 -0.047 0.000 1.049 12 V CB 1.470 33.413 31.823 0.199 0.000 1.157 12 V HN 0.908 nan 8.190 nan 0.000 0.454 13 R N 1.089 121.514 120.500 -0.125 0.000 2.139 13 R HA -0.077 4.288 4.340 0.041 0.000 0.243 13 R C 1.861 178.037 176.300 -0.207 0.000 1.145 13 R CA 2.107 58.123 56.100 -0.141 0.000 0.976 13 R CB -0.867 29.363 30.300 -0.116 0.000 0.866 13 R HN 1.035 nan 8.270 nan 0.000 0.449 14 G N -1.591 107.036 108.800 -0.288 0.000 2.880 14 G HA2 0.371 4.355 3.960 0.041 0.000 0.209 14 G HA3 0.371 4.355 3.960 0.041 0.000 0.209 14 G C 0.302 174.363 174.900 -1.397 0.000 1.157 14 G CA 0.353 45.039 45.100 -0.690 0.000 0.779 14 G HN 0.673 nan 8.290 nan 0.000 0.539 15 G N -0.895 107.349 108.800 -0.926 0.000 2.293 15 G HA2 0.055 4.040 3.960 0.041 0.000 0.282 15 G HA3 0.055 4.040 3.960 0.041 0.000 0.282 15 G C -1.062 173.738 174.900 -0.167 0.000 1.299 15 G CA -0.932 43.729 45.100 -0.732 0.000 1.018 15 G HN 0.345 nan 8.290 nan 0.000 0.478 16 Q N -0.463 119.414 119.800 0.127 0.000 2.222 16 Q HA 0.750 5.115 4.340 0.041 0.000 0.252 16 Q C -0.436 175.855 176.000 0.484 0.000 0.926 16 Q CA -0.441 55.517 55.803 0.259 0.000 0.899 16 Q CB 2.000 30.837 28.738 0.166 0.000 1.250 16 Q HN 0.494 nan 8.270 nan 0.000 0.441 17 L N 0.927 122.355 121.223 0.341 0.000 2.371 17 L HA 0.640 5.005 4.340 0.041 0.000 0.262 17 L C -0.537 176.516 176.870 0.304 0.000 1.006 17 L CA -0.889 54.157 54.840 0.344 0.000 0.818 17 L CB 2.237 44.541 42.059 0.409 0.000 1.354 17 L HN 0.460 nan 8.230 nan 0.000 0.415 18 R N 0.556 121.210 120.500 0.257 0.000 2.439 18 R HA 0.642 5.007 4.340 0.041 0.000 0.310 18 R C -0.349 176.038 176.300 0.144 0.000 0.955 18 R CA -0.345 55.877 56.100 0.204 0.000 0.853 18 R CB 1.798 32.159 30.300 0.101 0.000 1.171 18 R HN 0.844 nan 8.270 nan 0.000 0.449 19 G N 3.366 112.186 108.800 0.033 0.000 2.537 19 G HA2 0.423 4.407 3.960 0.041 0.000 0.297 19 G HA3 0.423 4.407 3.960 0.041 0.000 0.297 19 G C -0.853 173.862 174.900 -0.309 0.000 1.310 19 G CA -0.733 44.085 45.100 -0.471 0.000 1.027 19 G HN 0.608 nan 8.290 nan 0.000 0.505 20 I N -1.160 119.185 120.570 -0.374 0.000 2.740 20 I HA 0.580 4.774 4.170 0.041 0.000 0.303 20 I C -0.097 175.887 176.117 -0.222 0.000 1.044 20 I CA -1.293 59.865 61.300 -0.237 0.000 1.064 20 I CB 2.075 39.946 38.000 -0.216 0.000 1.249 20 I HN 0.410 nan 8.210 nan 0.000 0.433 21 R N 7.215 127.623 120.500 -0.153 0.000 2.207 21 R HA 0.545 4.909 4.340 0.041 0.000 0.334 21 R C -1.614 174.590 176.300 -0.160 0.000 1.013 21 R CA -0.456 55.547 56.100 -0.162 0.000 0.858 21 R CB 0.628 30.796 30.300 -0.220 0.000 1.094 21 R HN 0.650 nan 8.270 nan 0.000 0.457 22 L N 3.839 124.985 121.223 -0.128 0.000 2.334 22 L HA 0.492 4.856 4.340 0.041 0.000 0.270 22 L C -0.470 176.338 176.870 -0.104 0.000 1.018 22 L CA -1.190 53.590 54.840 -0.099 0.000 0.811 22 L CB 1.749 43.779 42.059 -0.048 0.000 1.271 22 L HN 0.560 nan 8.230 nan 0.000 0.443 23 K N 1.013 121.358 120.400 -0.092 0.000 2.206 23 K HA 0.779 5.124 4.320 0.041 0.000 0.264 23 K C -0.865 175.690 176.600 -0.076 0.000 0.967 23 K CA -0.424 55.815 56.287 -0.081 0.000 0.844 23 K CB 1.830 34.288 32.500 -0.069 0.000 1.099 23 K HN 0.510 nan 8.250 nan 0.000 0.441 24 A N 3.714 126.498 122.820 -0.060 0.000 2.306 24 A HA 0.561 4.906 4.320 0.041 0.000 0.330 24 A C -1.663 175.950 177.584 0.048 0.000 1.146 24 A CA -2.056 49.961 52.037 -0.033 0.000 0.827 24 A CB 0.408 19.379 19.000 -0.048 0.000 1.178 24 A HN 0.657 nan 8.150 nan 0.000 0.490 25 P HA -0.216 nan 4.420 nan 0.000 0.222 25 P C 1.130 178.467 177.300 0.062 0.000 1.155 25 P CA 2.470 65.629 63.100 0.097 0.000 0.890 25 P CB 0.207 31.983 31.700 0.127 0.000 0.790 26 G N -2.678 106.162 108.800 0.066 0.000 3.575 26 G HA2 0.506 4.491 3.960 0.041 0.000 0.273 26 G HA3 0.506 4.491 3.960 0.041 0.000 0.273 26 G C 0.353 175.278 174.900 0.043 0.000 1.053 26 G CA 0.368 45.498 45.100 0.050 0.000 0.803 26 G HN 0.632 nan 8.290 nan 0.000 0.528 27 G N -0.192 108.627 108.800 0.032 0.000 2.341 27 G HA2 0.419 4.404 3.960 0.041 0.000 0.293 27 G HA3 0.419 4.404 3.960 0.041 0.000 0.293 27 G C -3.465 171.432 174.900 -0.006 0.000 1.298 27 G CA -0.693 44.420 45.100 0.022 0.000 0.868 27 G HN 0.048 nan 8.290 nan 0.000 0.540 28 P HA 0.597 nan 4.420 nan 0.000 0.282 28 P C -0.312 176.996 177.300 0.013 0.000 1.259 28 P CA -0.512 62.515 63.100 -0.122 0.000 0.826 28 P CB 1.839 33.298 31.700 -0.400 0.000 1.064 29 V N -1.991 117.930 119.914 0.011 0.000 2.925 29 V HA 0.603 4.747 4.120 0.041 0.000 0.311 29 V C -0.386 175.808 176.094 0.168 0.000 1.104 29 V CA -0.831 61.566 62.300 0.160 0.000 0.954 29 V CB 1.687 33.605 31.823 0.157 0.000 1.022 29 V HN 0.439 nan 8.190 nan 0.000 0.427 30 S N 2.523 118.395 115.700 0.288 0.000 2.513 30 S HA 0.830 5.324 4.470 0.041 0.000 0.276 30 S C 0.154 174.733 174.600 -0.035 0.000 1.254 30 S CA 0.080 58.368 58.200 0.146 0.000 1.053 30 S CB 1.222 64.590 63.200 0.281 0.000 0.958 30 S HN 1.633 nan 8.310 nan 0.000 0.491 31 A N 2.569 125.163 122.820 -0.377 0.000 2.371 31 A HA 0.801 5.146 4.320 0.041 0.000 0.311 31 A C -1.222 175.895 177.584 -0.778 0.000 1.068 31 A CA -0.690 51.053 52.037 -0.489 0.000 0.744 31 A CB 0.577 19.294 19.000 -0.472 0.000 1.239 31 A HN 0.676 nan 8.150 nan 0.000 0.435 32 F N 2.669 122.481 119.950 -0.231 0.000 2.434 32 F HA 0.451 5.003 4.527 0.041 0.000 0.367 32 F C -0.166 175.480 175.800 -0.256 0.000 1.093 32 F CA -0.314 57.620 58.000 -0.110 0.000 1.085 32 F CB 1.196 40.288 39.000 0.154 0.000 1.322 32 F HN 0.337 nan 8.300 nan 0.000 0.452 33 L N 2.090 123.188 121.223 -0.209 0.000 2.322 33 L HA 0.648 5.012 4.340 0.041 0.000 0.279 33 L C 1.028 177.822 176.870 -0.128 0.000 1.036 33 L CA -0.928 53.739 54.840 -0.288 0.000 0.807 33 L CB 1.577 43.286 42.059 -0.583 0.000 1.226 33 L HN 0.835 nan 8.230 nan 0.000 0.433 34 G N 3.108 111.891 108.800 -0.029 0.000 2.273 34 G HA2 -0.269 3.715 3.960 0.041 0.000 0.280 34 G HA3 -0.269 3.715 3.960 0.041 0.000 0.280 34 G C -0.046 174.885 174.900 0.053 0.000 1.047 34 G CA -0.200 44.882 45.100 -0.031 0.000 0.869 34 G HN 0.482 nan 8.290 nan 0.000 0.502 35 I N 1.913 122.526 120.570 0.071 0.000 2.496 35 I HA 0.246 4.441 4.170 0.041 0.000 0.285 35 I C -1.384 174.778 176.117 0.076 0.000 1.080 35 I CA -1.996 59.325 61.300 0.036 0.000 1.404 35 I CB 1.016 38.989 38.000 -0.045 0.000 1.403 35 I HN -0.000 nan 8.210 nan 0.000 0.539 36 P HA 0.134 nan 4.420 nan 0.000 0.285 36 P C -0.345 176.835 177.300 -0.200 0.000 1.259 36 P CA -0.197 62.745 63.100 -0.265 0.000 0.794 36 P CB 0.746 32.276 31.700 -0.283 0.000 0.940 37 F N 0.606 120.362 119.950 -0.324 0.000 2.706 37 F HA 0.732 5.284 4.527 0.041 0.000 0.308 37 F C 0.157 175.925 175.800 -0.054 0.000 1.095 37 F CA -0.717 57.155 58.000 -0.213 0.000 1.244 37 F CB 0.164 38.953 39.000 -0.350 0.000 1.063 37 F HN 0.312 nan 8.300 nan 0.000 0.582 38 A N 0.144 122.679 122.820 -0.475 0.000 2.587 38 A HA 0.550 4.895 4.320 0.041 0.000 0.293 38 A C -0.751 176.672 177.584 -0.269 0.000 1.087 38 A CA -0.815 51.059 52.037 -0.272 0.000 0.692 38 A CB 0.937 19.741 19.000 -0.327 0.000 1.291 38 A HN 0.064 nan 8.150 nan 0.000 0.407 39 E N 1.413 121.537 120.200 -0.127 0.000 2.529 39 E HA 0.136 4.511 4.350 0.041 0.000 0.259 39 E C -2.262 174.238 176.600 -0.167 0.000 0.966 39 E CA -0.950 55.385 56.400 -0.109 0.000 0.937 39 E CB -0.209 29.464 29.700 -0.045 0.000 0.923 39 E HN 0.245 nan 8.360 nan 0.000 0.468 40 P HA -0.005 nan 4.420 nan 0.000 0.262 40 P C -2.204 175.022 177.300 -0.125 0.000 1.182 40 P CA -0.778 62.224 63.100 -0.163 0.000 0.761 40 P CB -0.032 31.607 31.700 -0.103 0.000 0.795 41 P HA 0.029 nan 4.420 nan 0.000 0.212 41 P C -0.300 176.929 177.300 -0.118 0.000 1.816 41 P CA -0.002 63.033 63.100 -0.109 0.000 0.944 41 P CB -0.066 31.571 31.700 -0.104 0.000 1.896 42 V N -3.013 116.838 119.914 -0.105 0.000 3.177 42 V HA 0.878 5.022 4.120 0.041 0.000 0.319 42 V C 1.218 177.258 176.094 -0.090 0.000 1.125 42 V CA 0.065 62.301 62.300 -0.108 0.000 1.029 42 V CB 0.593 32.362 31.823 -0.091 0.000 1.119 42 V HN 0.489 nan 8.190 nan 0.000 0.452 43 G N 1.743 110.492 108.800 -0.086 0.000 2.690 43 G HA2 -0.414 3.570 3.960 0.041 0.000 0.334 43 G HA3 -0.414 3.570 3.960 0.041 0.000 0.334 43 G C 1.378 176.243 174.900 -0.059 0.000 1.250 43 G CA 2.206 47.269 45.100 -0.062 0.000 0.994 43 G HN 2.368 nan 8.290 nan 0.000 0.549 44 S N 0.701 116.379 115.700 -0.035 0.000 2.555 44 S HA 0.094 4.589 4.470 0.041 0.000 0.230 44 S C 1.925 176.511 174.600 -0.023 0.000 0.978 44 S CA 1.458 59.647 58.200 -0.018 0.000 0.934 44 S CB -0.098 63.100 63.200 -0.003 0.000 0.766 44 S HN 0.677 nan 8.310 nan 0.000 0.533 45 R N 0.459 120.928 120.500 -0.051 0.000 2.334 45 R HA 0.262 4.627 4.340 0.041 0.000 0.212 45 R C 0.819 177.061 176.300 -0.097 0.000 0.897 45 R CA -0.316 55.754 56.100 -0.051 0.000 1.056 45 R CB 0.059 30.329 30.300 -0.050 0.000 1.046 45 R HN 0.379 nan 8.270 nan 0.000 0.513 46 R N 1.064 121.454 120.500 -0.184 0.000 2.585 46 R HA -0.120 4.245 4.340 0.041 0.000 0.275 46 R C -0.366 175.668 176.300 -0.443 0.000 1.018 46 R CA 0.593 56.444 56.100 -0.414 0.000 1.072 46 R CB 0.124 30.063 30.300 -0.602 0.000 0.953 46 R HN 0.100 nan 8.270 nan 0.000 0.419 47 F N -0.665 119.292 119.950 0.012 0.000 2.825 47 F HA -0.295 4.257 4.527 0.041 0.000 0.358 47 F C 0.004 175.788 175.800 -0.027 0.000 0.639 47 F CA 0.569 58.551 58.000 -0.030 0.000 1.153 47 F CB -1.471 37.499 39.000 -0.050 0.000 1.610 47 F HN 0.444 nan 8.300 nan 0.000 0.305 48 M N 0.709 120.360 119.600 0.084 0.000 2.409 48 M HA 0.440 4.945 4.480 0.041 0.000 0.329 48 M C -1.925 174.397 176.300 0.037 0.000 1.180 48 M CA -1.825 53.512 55.300 0.061 0.000 1.053 48 M CB 0.709 33.333 32.600 0.040 0.000 1.586 48 M HN -0.370 nan 8.290 nan 0.000 0.461 49 P HA 0.084 nan 4.420 nan 0.000 0.267 49 P C -2.452 174.872 177.300 0.040 0.000 1.201 49 P CA -0.437 62.691 63.100 0.047 0.000 0.775 49 P CB -0.513 31.224 31.700 0.063 0.000 0.854 50 P HA 0.159 nan 4.420 nan 0.000 0.278 50 P C -0.515 176.819 177.300 0.056 0.000 1.238 50 P CA 0.146 63.271 63.100 0.042 0.000 0.794 50 P CB 0.864 32.612 31.700 0.080 0.000 0.955 51 E N 2.441 122.661 120.200 0.033 0.000 2.212 51 E HA 0.406 4.781 4.350 0.041 0.000 0.270 51 E C -2.301 174.336 176.600 0.063 0.000 0.956 51 E CA -2.390 54.040 56.400 0.049 0.000 0.825 51 E CB 0.387 30.107 29.700 0.032 0.000 1.167 51 E HN 0.299 nan 8.360 nan 0.000 0.400 52 P HA -0.018 nan 4.420 nan 0.000 0.264 52 P C -0.241 177.124 177.300 0.108 0.000 1.193 52 P CA -0.039 63.140 63.100 0.131 0.000 0.763 52 P CB 0.331 32.113 31.700 0.136 0.000 0.810 53 K N 4.142 124.619 120.400 0.128 0.000 2.511 53 K HA -0.052 4.293 4.320 0.041 0.000 0.280 53 K C 0.135 176.847 176.600 0.185 0.000 1.008 53 K CA 0.581 56.950 56.287 0.137 0.000 1.050 53 K CB 0.103 32.719 32.500 0.194 0.000 0.889 53 K HN 0.287 nan 8.250 nan 0.000 0.484 54 R N 4.934 125.527 120.500 0.156 0.000 2.641 54 R HA 0.170 4.534 4.340 0.041 0.000 0.269 54 R C -1.989 174.436 176.300 0.208 0.000 1.074 54 R CA -1.620 54.565 56.100 0.142 0.000 1.133 54 R CB 0.108 30.471 30.300 0.104 0.000 1.029 54 R HN 0.569 nan 8.270 nan 0.000 0.488 55 P HA -0.044 nan 4.420 nan 0.000 0.269 55 P C -1.255 176.095 177.300 0.083 0.000 1.215 55 P CA -0.012 63.048 63.100 -0.067 0.000 0.780 55 P CB 0.334 31.950 31.700 -0.140 0.000 0.898 56 W N 0.579 121.913 121.300 0.057 0.000 2.799 56 W HA 0.680 5.365 4.660 0.041 0.000 0.349 56 W C -0.522 176.022 176.519 0.043 0.000 1.100 56 W CA -1.040 56.334 57.345 0.050 0.000 1.174 56 W CB 0.072 29.568 29.460 0.060 0.000 1.427 56 W HN 0.388 nan 8.180 nan 0.000 0.547 57 S N 1.784 117.640 115.700 0.260 0.000 2.617 57 S HA 0.744 5.239 4.470 0.041 0.000 0.269 57 S C 0.730 175.478 174.600 0.246 0.000 1.292 57 S CA 0.201 58.494 58.200 0.154 0.000 1.010 57 S CB 0.680 63.950 63.200 0.116 0.000 0.944 57 S HN 2.160 nan 8.310 nan 0.000 0.536 58 G N 0.202 109.093 108.800 0.153 0.000 2.575 58 G HA2 -0.189 3.795 3.960 0.041 0.000 0.267 58 G HA3 -0.189 3.795 3.960 0.041 0.000 0.267 58 G C -0.535 174.510 174.900 0.240 0.000 1.264 58 G CA -0.136 45.059 45.100 0.159 0.000 0.935 58 G HN 1.718 nan 8.290 nan 0.000 0.568 59 V N 0.700 120.734 119.914 0.199 0.000 2.334 59 V HA 0.531 4.676 4.120 0.041 0.000 0.281 59 V C 0.470 176.662 176.094 0.164 0.000 1.016 59 V CA -0.456 61.970 62.300 0.210 0.000 0.832 59 V CB 1.157 33.060 31.823 0.133 0.000 0.999 59 V HN 0.791 nan 8.190 nan 0.000 0.439 60 L N 4.259 125.586 121.223 0.173 0.000 2.367 60 L HA 0.392 4.757 4.340 0.041 0.000 0.275 60 L C 0.320 177.183 176.870 -0.013 0.000 1.129 60 L CA 0.217 55.018 54.840 -0.065 0.000 0.839 60 L CB 0.984 42.764 42.059 -0.463 0.000 1.133 60 L HN 0.765 nan 8.230 nan 0.000 0.453 61 D N 4.421 124.791 120.400 -0.051 0.000 2.344 61 D HA 0.332 4.996 4.640 0.041 0.000 0.253 61 D C -0.274 175.989 176.300 -0.062 0.000 1.255 61 D CA 0.101 54.078 54.000 -0.039 0.000 0.894 61 D CB 0.867 41.633 40.800 -0.056 0.000 1.067 61 D HN 0.612 nan 8.370 nan 0.000 0.492 62 A N 3.474 126.286 122.820 -0.014 0.000 3.257 62 A HA 0.357 4.702 4.320 0.041 0.000 0.308 62 A C 0.887 178.409 177.584 -0.103 0.000 1.175 62 A CA -0.263 51.763 52.037 -0.019 0.000 1.018 62 A CB -0.256 18.832 19.000 0.148 0.000 1.088 62 A HN 0.572 nan 8.150 nan 0.000 0.567 63 T N -3.839 110.621 114.554 -0.156 0.000 3.058 63 T HA 0.339 4.713 4.350 0.041 0.000 0.278 63 T C 0.340 174.882 174.700 -0.263 0.000 0.974 63 T CA 0.518 62.491 62.100 -0.212 0.000 0.893 63 T CB 0.232 69.005 68.868 -0.157 0.000 1.138 63 T HN 0.436 nan 8.240 nan 0.000 0.529 64 T N 0.784 115.181 114.554 -0.262 0.000 2.916 64 T HA 0.596 4.971 4.350 0.041 0.000 0.305 64 T C -1.482 173.061 174.700 -0.262 0.000 1.119 64 T CA -0.697 61.232 62.100 -0.285 0.000 1.008 64 T CB 0.637 69.403 68.868 -0.171 0.000 1.129 64 T HN 0.077 nan 8.240 nan 0.000 0.480 65 F N 3.621 123.497 119.950 -0.124 0.000 2.608 65 F HA 0.239 4.791 4.527 0.041 0.000 0.380 65 F C 1.485 177.176 175.800 -0.181 0.000 1.083 65 F CA 0.007 57.934 58.000 -0.123 0.000 1.266 65 F CB 0.390 39.348 39.000 -0.070 0.000 1.076 65 F HN 0.446 nan 8.300 nan 0.000 0.574 66 Q N 2.234 122.007 119.800 -0.044 0.000 2.272 66 Q HA 0.158 4.522 4.340 0.041 0.000 0.192 66 Q C 0.117 176.020 176.000 -0.161 0.000 1.059 66 Q CA -0.498 55.118 55.803 -0.312 0.000 1.084 66 Q CB 0.491 28.670 28.738 -0.931 0.000 1.139 66 Q HN 0.541 nan 8.270 nan 0.000 0.593 67 N N -0.309 118.277 118.700 -0.189 0.000 2.416 67 N HA 0.031 4.795 4.740 0.041 0.000 0.246 67 N C -0.524 174.964 175.510 -0.036 0.000 1.260 67 N CA 0.059 53.061 53.050 -0.081 0.000 0.897 67 N CB 0.477 38.933 38.487 -0.052 0.000 1.110 67 N HN 0.171 nan 8.380 nan 0.000 0.439 68 V N 1.583 121.456 119.914 -0.068 0.000 2.546 68 V HA 0.060 4.205 4.120 0.041 0.000 0.284 68 V C 0.710 176.756 176.094 -0.081 0.000 1.050 68 V CA -0.782 61.463 62.300 -0.092 0.000 0.981 68 V CB 0.892 32.627 31.823 -0.146 0.000 0.990 68 V HN 0.720 nan 8.190 nan 0.000 0.474 69 c N 4.455 123.019 118.600 -0.060 0.000 2.665 69 c HA 0.079 4.674 4.570 0.041 0.000 0.416 69 c C 0.498 174.538 174.090 -0.084 0.000 1.305 69 c CA -0.514 55.785 56.329 -0.049 0.000 1.903 69 c CB -0.873 41.631 42.510 -0.010 0.000 2.704 69 c HN 0.755 nan 8.230 nan 0.000 0.629 70 Y N 3.712 123.869 120.300 -0.238 0.000 2.620 70 Y HA 0.308 4.883 4.550 0.041 0.000 0.330 70 Y C 0.691 176.586 175.900 -0.008 0.000 1.186 70 Y CA 0.989 58.937 58.100 -0.253 0.000 1.467 70 Y CB 0.153 38.238 38.460 -0.625 0.000 1.262 70 Y HN 0.759 nan 8.280 nan 0.000 0.550 71 Q N 4.145 123.857 119.800 -0.146 0.000 2.578 71 Q HA 0.198 4.563 4.340 0.041 0.000 0.284 71 Q C -1.790 174.311 176.000 0.169 0.000 0.960 71 Q CA -1.187 54.726 55.803 0.184 0.000 0.809 71 Q CB 1.108 29.927 28.738 0.135 0.000 1.462 71 Q HN 0.681 nan 8.270 nan 0.000 0.392 72 Y N 1.141 121.609 120.300 0.280 0.000 2.805 72 Y HA 0.261 4.835 4.550 0.041 0.000 0.337 72 Y C -0.877 175.162 175.900 0.232 0.000 1.252 72 Y CA 0.563 58.850 58.100 0.311 0.000 1.515 72 Y CB 0.753 39.530 38.460 0.527 0.000 1.305 72 Y HN 0.442 nan 8.280 nan 0.000 0.600 73 V N 6.394 126.017 119.914 -0.484 0.000 2.495 73 V HA 0.126 4.270 4.120 0.041 0.000 0.298 73 V C -0.620 175.167 176.094 -0.512 0.000 1.031 73 V CA -1.075 61.033 62.300 -0.321 0.000 0.871 73 V CB 1.704 33.405 31.823 -0.202 0.000 0.988 73 V HN 0.764 nan 8.190 nan 0.000 0.432 74 D N 2.759 123.125 120.400 -0.056 0.000 2.390 74 D HA 0.342 5.006 4.640 0.041 0.000 0.249 74 D C 0.756 177.104 176.300 0.081 0.000 1.144 74 D CA 0.358 54.449 54.000 0.152 0.000 0.880 74 D CB 1.169 42.227 40.800 0.431 0.000 1.182 74 D HN 0.786 nan 8.370 nan 0.000 0.451 75 T N 1.288 115.885 114.554 0.071 0.000 3.393 75 T HA 0.079 4.454 4.350 0.041 0.000 0.298 75 T C 1.182 175.880 174.700 -0.003 0.000 1.004 75 T CA -0.511 61.609 62.100 0.032 0.000 0.956 75 T CB -0.204 68.656 68.868 -0.013 0.000 1.182 75 T HN 0.270 nan 8.240 nan 0.000 0.497 76 L N 0.709 121.922 121.223 -0.017 0.000 2.056 76 L HA 0.279 4.643 4.340 0.041 0.000 0.207 76 L C -0.239 176.334 176.870 -0.494 0.000 1.078 76 L CA 1.557 56.203 54.840 -0.324 0.000 0.749 76 L CB -0.178 41.551 42.059 -0.550 0.000 0.901 76 L HN 0.481 nan 8.230 nan 0.000 0.433 77 Y N -0.452 119.884 120.300 0.060 0.000 2.705 77 Y HA 0.414 4.989 4.550 0.041 0.000 0.355 77 Y C -2.228 173.723 175.900 0.084 0.000 1.039 77 Y CA -3.335 54.786 58.100 0.036 0.000 1.233 77 Y CB -0.125 38.338 38.460 0.005 0.000 1.103 77 Y HN 0.037 nan 8.280 nan 0.000 0.624 78 P HA 0.102 nan 4.420 nan 0.000 0.263 78 P C 0.999 178.364 177.300 0.108 0.000 1.195 78 P CA 1.297 64.458 63.100 0.102 0.000 0.762 78 P CB 0.744 32.474 31.700 0.049 0.000 0.799 79 G N 2.396 111.249 108.800 0.088 0.000 2.168 79 G HA2 -0.290 3.694 3.960 0.041 0.000 0.263 79 G HA3 -0.290 3.694 3.960 0.041 0.000 0.263 79 G C -0.078 174.880 174.900 0.097 0.000 0.977 79 G CA -0.389 44.747 45.100 0.060 0.000 0.659 79 G HN 0.538 nan 8.290 nan 0.000 0.533 80 F N 1.565 121.488 119.950 -0.045 0.000 2.424 80 F HA 0.631 5.182 4.527 0.041 0.000 0.356 80 F C 1.260 176.974 175.800 -0.144 0.000 1.110 80 F CA -1.066 56.855 58.000 -0.131 0.000 1.161 80 F CB 1.430 40.318 39.000 -0.187 0.000 1.115 80 F HN 0.085 nan 8.300 nan 0.000 0.507 81 E N 4.160 124.014 120.200 -0.576 0.000 2.160 81 E HA -0.070 4.305 4.350 0.041 0.000 0.195 81 E C 2.212 178.324 176.600 -0.813 0.000 0.991 81 E CA 1.823 57.878 56.400 -0.575 0.000 0.810 81 E CB -0.574 28.886 29.700 -0.400 0.000 0.742 81 E HN 0.901 nan 8.360 nan 0.000 0.466 82 G N -0.523 107.220 108.800 -1.761 0.000 2.476 82 G HA2 -0.362 3.623 3.960 0.041 0.000 0.218 82 G HA3 -0.362 3.623 3.960 0.041 0.000 0.218 82 G C 1.749 176.552 174.900 -0.161 0.000 1.164 82 G CA 2.054 46.352 45.100 -1.336 0.000 0.768 82 G HN 0.508 nan 8.290 nan 0.000 0.560 83 T N -1.631 112.832 114.554 -0.151 0.000 3.009 83 T HA 0.119 4.493 4.350 0.041 0.000 0.258 83 T C 1.947 176.809 174.700 0.270 0.000 1.063 83 T CA 1.123 63.495 62.100 0.452 0.000 1.139 83 T CB 0.022 69.225 68.868 0.558 0.000 0.890 83 T HN 0.206 nan 8.240 nan 0.000 0.471 84 E N 2.121 122.324 120.200 0.006 0.000 2.204 84 E HA -0.041 4.333 4.350 0.041 0.000 0.194 84 E C 2.204 178.723 176.600 -0.134 0.000 0.989 84 E CA 1.121 57.499 56.400 -0.035 0.000 0.824 84 E CB -0.447 29.197 29.700 -0.093 0.000 0.756 84 E HN 0.805 nan 8.360 nan 0.000 0.477 85 M N -2.338 117.087 119.600 -0.291 0.000 2.549 85 M HA -0.033 4.471 4.480 0.041 0.000 0.260 85 M C 1.130 177.021 176.300 -0.681 0.000 1.076 85 M CA 1.277 56.248 55.300 -0.547 0.000 1.090 85 M CB -0.467 31.700 32.600 -0.722 0.000 1.418 85 M HN -0.016 nan 8.290 nan 0.000 0.486 86 W N 0.681 121.945 121.300 -0.059 0.000 3.177 86 W HA 0.310 4.994 4.660 0.040 0.000 0.309 86 W C 0.356 176.831 176.519 -0.074 0.000 1.224 86 W CA -0.913 56.387 57.345 -0.075 0.000 1.718 86 W CB -0.162 29.301 29.460 0.005 0.000 1.078 86 W HN 0.091 nan 8.180 nan 0.000 0.618 87 N N 1.541 120.292 118.700 0.085 0.000 2.467 87 N HA 0.154 4.919 4.740 0.041 0.000 0.262 87 N C -2.441 173.030 175.510 -0.064 0.000 1.234 87 N CA -1.653 51.417 53.050 0.032 0.000 0.952 87 N CB 0.000 38.503 38.487 0.025 0.000 1.158 87 N HN -0.352 nan 8.380 nan 0.000 0.463 88 P HA 0.029 nan 4.420 nan 0.000 0.262 88 P C 0.194 177.417 177.300 -0.128 0.000 1.182 88 P CA 0.097 63.120 63.100 -0.129 0.000 0.761 88 P CB 0.240 31.858 31.700 -0.136 0.000 0.795 89 N N 2.669 121.278 118.700 -0.152 0.000 2.235 89 N HA 0.057 4.822 4.740 0.041 0.000 0.209 89 N C 0.112 175.561 175.510 -0.101 0.000 1.122 89 N CA 0.043 53.014 53.050 -0.131 0.000 0.845 89 N CB 0.306 38.698 38.487 -0.158 0.000 1.004 89 N HN 0.152 nan 8.380 nan 0.000 0.499 90 R N 0.012 120.449 120.500 -0.105 0.000 2.817 90 R HA 0.309 4.674 4.340 0.041 0.000 0.268 90 R C -0.374 175.874 176.300 -0.086 0.000 1.027 90 R CA -0.636 55.416 56.100 -0.079 0.000 0.928 90 R CB 0.765 31.024 30.300 -0.068 0.000 1.228 90 R HN 0.093 nan 8.270 nan 0.000 0.469 91 E N 1.691 121.848 120.200 -0.070 0.000 2.481 91 E HA 0.028 4.402 4.350 0.041 0.000 0.263 91 E C 0.161 176.712 176.600 -0.081 0.000 0.992 91 E CA 0.250 56.610 56.400 -0.066 0.000 0.938 91 E CB 0.416 30.088 29.700 -0.046 0.000 0.933 91 E HN 0.279 nan 8.360 nan 0.000 0.453 92 L N 1.585 122.747 121.223 -0.103 0.000 2.452 92 L HA 0.248 4.612 4.340 0.041 0.000 0.267 92 L C 0.774 177.651 176.870 0.011 0.000 1.188 92 L CA 0.053 54.810 54.840 -0.139 0.000 0.821 92 L CB 0.663 42.481 42.059 -0.401 0.000 1.102 92 L HN 0.453 nan 8.230 nan 0.000 0.470 93 S N -0.010 115.723 115.700 0.055 0.000 2.606 93 S HA 0.118 4.613 4.470 0.041 0.000 0.290 93 S C 0.048 174.640 174.600 -0.013 0.000 1.103 93 S CA -0.705 57.535 58.200 0.067 0.000 0.870 93 S CB 1.228 64.436 63.200 0.014 0.000 1.077 93 S HN 0.747 nan 8.310 nan 0.000 0.448 94 E N 1.219 121.351 120.200 -0.113 0.000 2.338 94 E HA -0.076 4.299 4.350 0.041 0.000 0.197 94 E C -0.141 176.388 176.600 -0.117 0.000 1.007 94 E CA 0.668 56.941 56.400 -0.212 0.000 0.849 94 E CB 0.089 29.607 29.700 -0.304 0.000 0.774 94 E HN 0.545 nan 8.360 nan 0.000 0.506 95 D N 0.236 120.604 120.400 -0.053 0.000 2.453 95 D HA 0.009 4.674 4.640 0.041 0.000 0.223 95 D C 0.040 176.415 176.300 0.125 0.000 1.183 95 D CA -0.344 53.656 54.000 -0.000 0.000 0.933 95 D CB 0.167 40.980 40.800 0.022 0.000 1.038 95 D HN 0.159 nan 8.370 nan 0.000 0.513 96 c N 2.467 121.107 118.600 0.067 0.000 4.095 96 c HA 0.348 4.943 4.570 0.041 0.000 0.327 96 c C 0.704 174.832 174.090 0.063 0.000 1.811 96 c CA -0.601 55.836 56.329 0.180 0.000 1.785 96 c CB -1.164 41.385 42.510 0.065 0.000 3.120 96 c HN 0.452 nan 8.230 nan 0.000 0.621 97 L N 2.665 123.653 121.223 -0.393 0.000 2.415 97 L HA 0.341 4.705 4.340 0.041 0.000 0.269 97 L C -0.935 175.178 176.870 -1.262 0.000 1.244 97 L CA 0.694 55.072 54.840 -0.771 0.000 1.113 97 L CB -0.735 40.793 42.059 -0.885 0.000 1.352 97 L HN 0.409 nan 8.230 nan 0.000 0.433 98 Y N 1.789 121.963 120.300 -0.209 0.000 2.545 98 Y HA 0.608 5.183 4.550 0.041 0.000 0.348 98 Y C -0.077 176.032 175.900 0.349 0.000 1.002 98 Y CA -1.222 56.877 58.100 -0.002 0.000 1.039 98 Y CB 1.991 40.435 38.460 -0.026 0.000 1.271 98 Y HN 0.191 nan 8.280 nan 0.000 0.467 99 L N -0.023 121.413 121.223 0.354 0.000 2.309 99 L HA 0.776 5.141 4.340 0.041 0.000 0.261 99 L C -1.190 175.704 176.870 0.040 0.000 1.021 99 L CA -1.163 53.765 54.840 0.148 0.000 0.823 99 L CB 1.605 43.588 42.059 -0.126 0.000 1.366 99 L HN 0.455 nan 8.230 nan 0.000 0.423 100 N N 0.240 118.967 118.700 0.045 0.000 2.319 100 N HA 0.708 5.472 4.740 0.041 0.000 0.305 100 N C -1.452 173.982 175.510 -0.126 0.000 1.103 100 N CA -0.468 52.515 53.050 -0.111 0.000 0.815 100 N CB 2.811 41.209 38.487 -0.149 0.000 1.288 100 N HN 0.501 nan 8.380 nan 0.000 0.493 101 V N 1.621 121.395 119.914 -0.233 0.000 2.482 101 V HA 0.367 4.511 4.120 0.041 0.000 0.295 101 V C -0.768 175.315 176.094 -0.019 0.000 1.026 101 V CA -0.827 61.434 62.300 -0.064 0.000 0.856 101 V CB 1.736 33.390 31.823 -0.281 0.000 1.001 101 V HN 0.552 nan 8.190 nan 0.000 0.424 102 W N 3.284 124.700 121.300 0.193 0.000 2.433 102 W HA 0.663 5.348 4.660 0.042 0.000 0.315 102 W C 0.397 177.041 176.519 0.209 0.000 1.087 102 W CA -0.330 57.128 57.345 0.188 0.000 1.205 102 W CB 2.259 31.805 29.460 0.144 0.000 1.288 102 W HN 0.632 nan 8.180 nan 0.000 0.504 103 T N 0.611 115.434 114.554 0.448 0.000 2.883 103 T HA 0.554 4.928 4.350 0.041 0.000 0.296 103 T C -2.873 172.010 174.700 0.305 0.000 1.117 103 T CA -2.450 59.867 62.100 0.361 0.000 1.006 103 T CB 2.370 71.469 68.868 0.385 0.000 1.191 103 T HN -0.072 nan 8.240 nan 0.000 0.508 104 P HA 0.255 nan 4.420 nan 0.000 0.271 104 P C -1.614 175.815 177.300 0.215 0.000 1.218 104 P CA -0.256 62.966 63.100 0.203 0.000 0.780 104 P CB 0.082 31.871 31.700 0.148 0.000 0.901 105 Y N 4.172 124.532 120.300 0.101 0.000 2.402 105 Y HA 0.384 4.959 4.550 0.041 0.000 0.332 105 Y C -2.023 173.916 175.900 0.065 0.000 0.960 105 Y CA -2.259 55.891 58.100 0.084 0.000 1.228 105 Y CB 0.809 39.306 38.460 0.062 0.000 1.120 105 Y HN 0.340 nan 8.280 nan 0.000 0.491 106 P HA 0.236 nan 4.420 nan 0.000 0.278 106 P C -1.185 176.050 177.300 -0.108 0.000 1.258 106 P CA -0.791 62.099 63.100 -0.351 0.000 0.811 106 P CB 1.054 32.600 31.700 -0.256 0.000 1.063 107 R N 1.261 121.708 120.500 -0.089 0.000 2.502 107 R HA 0.148 4.513 4.340 0.041 0.000 0.292 107 R C -2.037 174.282 176.300 0.031 0.000 0.998 107 R CA -0.981 55.139 56.100 0.034 0.000 1.056 107 R CB -1.345 28.997 30.300 0.069 0.000 0.939 107 R HN 0.292 nan 8.270 nan 0.000 0.411 108 P HA -0.201 nan 4.420 nan 0.000 0.264 108 P C 0.110 177.428 177.300 0.030 0.000 1.156 108 P CA 1.033 64.165 63.100 0.053 0.000 0.756 108 P CB 0.567 32.311 31.700 0.073 0.000 0.764 109 A N 3.262 126.095 122.820 0.021 0.000 1.858 109 A HA -0.067 4.277 4.320 0.041 0.000 0.216 109 A C 1.085 178.676 177.584 0.012 0.000 1.190 109 A CA 1.956 53.999 52.037 0.011 0.000 0.617 109 A CB -0.954 18.052 19.000 0.010 0.000 0.827 109 A HN 0.646 nan 8.150 nan 0.000 0.443 110 S N -0.947 114.763 115.700 0.016 0.000 2.690 110 S HA 0.601 5.095 4.470 0.041 0.000 0.291 110 S C -3.052 171.561 174.600 0.022 0.000 1.138 110 S CA -1.831 56.377 58.200 0.014 0.000 1.013 110 S CB 0.851 64.056 63.200 0.009 0.000 1.053 110 S HN 0.058 nan 8.310 nan 0.000 0.539 111 P HA 0.166 nan 4.420 nan 0.000 0.260 111 P C -0.651 176.666 177.300 0.029 0.000 1.185 111 P CA 0.363 63.478 63.100 0.025 0.000 0.763 111 P CB -0.032 31.674 31.700 0.010 0.000 0.776 112 T N 5.476 120.059 114.554 0.048 0.000 2.859 112 T HA 0.437 4.812 4.350 0.041 0.000 0.281 112 T C -2.425 172.307 174.700 0.054 0.000 1.005 112 T CA -2.058 60.073 62.100 0.052 0.000 1.025 112 T CB 0.835 69.749 68.868 0.076 0.000 0.977 112 T HN 0.130 nan 8.240 nan 0.000 0.458 113 P HA 0.198 nan 4.420 nan 0.000 0.266 113 P C -0.908 176.438 177.300 0.077 0.000 1.195 113 P CA -0.338 62.787 63.100 0.041 0.000 0.768 113 P CB 0.377 32.084 31.700 0.013 0.000 0.838 114 V N 4.319 124.295 119.914 0.103 0.000 2.435 114 V HA 0.300 4.445 4.120 0.041 0.000 0.290 114 V C 0.243 176.430 176.094 0.154 0.000 1.030 114 V CA -0.549 61.835 62.300 0.140 0.000 0.881 114 V CB 1.160 33.078 31.823 0.158 0.000 0.983 114 V HN 0.313 nan 8.190 nan 0.000 0.445 115 L N 5.753 127.083 121.223 0.177 0.000 2.295 115 L HA 0.565 4.929 4.340 0.041 0.000 0.285 115 L C -0.304 176.821 176.870 0.424 0.000 1.035 115 L CA 0.085 55.065 54.840 0.233 0.000 0.806 115 L CB 1.333 43.419 42.059 0.044 0.000 1.214 115 L HN 0.459 nan 8.230 nan 0.000 0.426 116 I N 2.725 123.572 120.570 0.461 0.000 2.378 116 I HA 0.251 4.445 4.170 0.041 0.000 0.291 116 I C -0.840 175.538 176.117 0.436 0.000 0.992 116 I CA -0.460 61.077 61.300 0.393 0.000 1.154 116 I CB 1.383 39.490 38.000 0.178 0.000 1.315 116 I HN 0.645 nan 8.210 nan 0.000 0.448 117 W N 8.447 129.817 121.300 0.116 0.000 2.469 117 W HA 0.617 5.301 4.660 0.040 0.000 0.320 117 W C -1.731 174.660 176.519 -0.214 0.000 1.086 117 W CA -0.728 56.452 57.345 -0.276 0.000 1.211 117 W CB 1.423 30.708 29.460 -0.292 0.000 1.298 117 W HN 0.323 nan 8.180 nan 0.000 0.525 118 I N 8.723 128.489 120.570 -1.340 0.000 2.448 118 I HA 0.065 4.260 4.170 0.041 0.000 0.281 118 I C -0.272 175.003 176.117 -1.404 0.000 1.027 118 I CA -1.074 59.589 61.300 -1.062 0.000 1.111 118 I CB 0.695 38.274 38.000 -0.702 0.000 1.236 118 I HN 0.324 nan 8.210 nan 0.000 0.452 119 Y N 4.418 124.244 120.300 -0.789 0.000 2.607 119 Y HA 0.544 5.118 4.550 0.041 0.000 0.348 119 Y C 0.867 176.578 175.900 -0.316 0.000 1.261 119 Y CA -0.480 57.328 58.100 -0.486 0.000 1.480 119 Y CB -0.115 38.308 38.460 -0.063 0.000 1.358 119 Y HN 0.513 nan 8.280 nan 0.000 0.630 120 G N -1.062 107.726 108.800 -0.019 0.000 2.702 120 G HA2 0.499 4.484 3.960 0.041 0.000 0.254 120 G HA3 0.499 4.484 3.960 0.041 0.000 0.254 120 G C 0.359 175.168 174.900 -0.153 0.000 1.380 120 G CA -0.936 44.050 45.100 -0.190 0.000 1.042 120 G HN 1.696 nan 8.290 nan 0.000 0.557 121 G N -2.964 105.557 108.800 -0.466 0.000 2.240 121 G HA2 0.398 4.382 3.960 0.041 0.000 0.181 121 G HA3 0.398 4.382 3.960 0.041 0.000 0.181 121 G C 1.079 175.360 174.900 -1.032 0.000 1.028 121 G CA 0.786 45.515 45.100 -0.619 0.000 0.760 121 G HN 2.361 nan 8.290 nan 0.000 0.508 122 G N -0.363 107.830 108.800 -1.011 0.000 2.168 122 G HA2 -0.121 3.863 3.960 0.041 0.000 0.257 122 G HA3 -0.121 3.863 3.960 0.041 0.000 0.257 122 G C 0.887 175.421 174.900 -0.611 0.000 0.997 122 G CA 0.680 45.014 45.100 -1.276 0.000 0.708 122 G HN 1.725 nan 8.290 nan 0.000 0.520 123 F N -3.101 116.662 119.950 -0.312 0.000 2.973 123 F HA -0.321 4.230 4.527 0.041 0.000 0.299 123 F C 1.438 177.291 175.800 0.089 0.000 0.737 123 F CA 2.178 60.133 58.000 -0.075 0.000 1.151 123 F CB -2.148 36.654 39.000 -0.331 0.000 1.440 123 F HN 0.947 nan 8.300 nan 0.000 0.367 124 Y N -1.345 119.017 120.300 0.103 0.000 2.527 124 Y HA 0.659 5.234 4.550 0.041 0.000 0.247 124 Y C 0.573 176.585 175.900 0.188 0.000 1.138 124 Y CA 0.125 58.322 58.100 0.162 0.000 1.228 124 Y CB -0.059 38.437 38.460 0.059 0.000 1.252 124 Y HN 0.080 nan 8.280 nan 0.000 0.531 125 S N -0.961 114.551 115.700 -0.314 0.000 2.727 125 S HA 0.886 5.381 4.470 0.041 0.000 0.278 125 S C -0.114 174.357 174.600 -0.216 0.000 1.186 125 S CA -0.539 57.556 58.200 -0.175 0.000 0.836 125 S CB 1.479 64.581 63.200 -0.163 0.000 1.186 125 S HN 1.365 nan 8.310 nan 0.000 0.499 126 G N -0.660 107.980 108.800 -0.267 0.000 2.497 126 G HA2 0.541 4.526 3.960 0.041 0.000 0.686 126 G HA3 0.541 4.526 3.960 0.041 0.000 0.686 126 G C -0.646 173.659 174.900 -0.992 0.000 1.288 126 G CA -0.264 44.529 45.100 -0.512 0.000 0.899 126 G HN 2.271 nan 8.290 nan 0.000 0.608 127 A N -1.340 120.747 122.820 -1.222 0.000 2.599 127 A HA 0.978 5.323 4.320 0.041 0.000 0.294 127 A C 0.465 177.838 177.584 -0.353 0.000 1.055 127 A CA 0.654 52.180 52.037 -0.852 0.000 0.683 127 A CB 0.818 19.580 19.000 -0.395 0.000 1.278 127 A HN 2.602 nan 8.150 nan 0.000 0.412 128 A N 0.398 123.232 122.820 0.024 0.000 2.259 128 A HA 0.366 4.711 4.320 0.041 0.000 0.208 128 A C 1.404 179.018 177.584 0.050 0.000 1.201 128 A CA 1.527 53.772 52.037 0.346 0.000 0.824 128 A CB -0.610 18.658 19.000 0.446 0.000 0.838 128 A HN 1.859 nan 8.150 nan 0.000 0.485 129 S N -1.010 114.494 115.700 -0.328 0.000 2.603 129 S HA 0.379 4.874 4.470 0.041 0.000 0.232 129 S C 0.349 174.551 174.600 -0.664 0.000 1.016 129 S CA -0.482 57.100 58.200 -1.030 0.000 0.976 129 S CB -0.528 61.938 63.200 -1.223 0.000 0.921 129 S HN 0.318 nan 8.310 nan 0.000 0.516 130 L N 2.126 123.079 121.223 -0.451 0.000 2.482 130 L HA 0.176 4.541 4.340 0.041 0.000 0.273 130 L C 1.225 177.768 176.870 -0.544 0.000 1.228 130 L CA -0.389 54.118 54.840 -0.555 0.000 0.827 130 L CB 0.205 41.777 42.059 -0.812 0.000 1.099 130 L HN 0.089 nan 8.230 nan 0.000 0.494 131 D N 0.705 120.826 120.400 -0.465 0.000 2.144 131 D HA -0.131 4.533 4.640 0.041 0.000 0.199 131 D C 2.009 178.044 176.300 -0.442 0.000 0.984 131 D CA 1.304 55.103 54.000 -0.336 0.000 0.834 131 D CB -0.078 40.565 40.800 -0.261 0.000 0.955 131 D HN 0.515 nan 8.370 nan 0.000 0.465 132 V N -1.227 118.277 119.914 -0.683 0.000 3.078 132 V HA -0.162 3.982 4.120 0.041 0.000 0.265 132 V C 0.988 176.529 176.094 -0.922 0.000 1.122 132 V CA 1.075 62.950 62.300 -0.708 0.000 1.141 132 V CB -1.160 30.216 31.823 -0.745 0.000 0.735 132 V HN 0.072 nan 8.190 nan 0.000 0.498 133 Y N 0.107 119.844 120.300 -0.939 0.000 2.607 133 Y HA 0.466 5.040 4.550 0.041 0.000 0.266 133 Y C 0.764 175.999 175.900 -1.107 0.000 1.178 133 Y CA -2.037 55.099 58.100 -1.607 0.000 1.226 133 Y CB -0.737 37.139 38.460 -0.974 0.000 1.144 133 Y HN 0.254 nan 8.280 nan 0.000 0.528 134 D N 0.802 120.861 120.400 -0.568 0.000 2.382 134 D HA 0.090 4.755 4.640 0.041 0.000 0.259 134 D C 1.291 177.219 176.300 -0.621 0.000 1.224 134 D CA 0.394 54.128 54.000 -0.443 0.000 0.894 134 D CB 1.309 42.000 40.800 -0.181 0.000 1.127 134 D HN 0.441 nan 8.370 nan 0.000 0.487 135 G N 4.115 111.960 108.800 -1.592 0.000 3.233 135 G HA2 -0.107 3.877 3.960 0.041 0.000 0.227 135 G HA3 -0.107 3.877 3.960 0.041 0.000 0.227 135 G C 1.427 175.768 174.900 -0.931 0.000 1.175 135 G CA -0.142 44.283 45.100 -1.125 0.000 0.781 135 G HN 0.570 nan 8.290 nan 0.000 0.542 136 R N -0.287 119.632 120.500 -0.968 0.000 2.075 136 R HA -0.024 4.340 4.340 0.041 0.000 0.232 136 R C 1.592 177.652 176.300 -0.400 0.000 1.126 136 R CA 1.036 56.795 56.100 -0.569 0.000 0.963 136 R CB -0.767 29.205 30.300 -0.547 0.000 0.858 136 R HN 0.281 nan 8.270 nan 0.000 0.435 137 F N 1.919 121.801 119.950 -0.113 0.000 2.102 137 F HA -0.061 4.491 4.527 0.042 0.000 0.298 137 F C 2.485 178.248 175.800 -0.062 0.000 1.105 137 F CA 1.042 58.999 58.000 -0.071 0.000 1.239 137 F CB -0.747 38.205 39.000 -0.081 0.000 0.991 137 F HN -0.114 nan 8.300 nan 0.000 0.474 138 L N -0.183 121.097 121.223 0.095 0.000 2.046 138 L HA -0.181 4.183 4.340 0.041 0.000 0.208 138 L C 2.752 179.653 176.870 0.052 0.000 1.077 138 L CA 1.128 55.985 54.840 0.028 0.000 0.747 138 L CB -1.048 40.983 42.059 -0.047 0.000 0.896 138 L HN 0.183 nan 8.230 nan 0.000 0.432 139 A N -0.933 121.922 122.820 0.059 0.000 1.908 139 A HA -0.249 4.096 4.320 0.041 0.000 0.218 139 A C 2.299 179.948 177.584 0.108 0.000 1.181 139 A CA 1.726 53.834 52.037 0.119 0.000 0.627 139 A CB -0.427 18.689 19.000 0.193 0.000 0.818 139 A HN 0.428 nan 8.150 nan 0.000 0.445 140 Q N -0.323 119.527 119.800 0.084 0.000 2.036 140 Q HA -0.037 4.327 4.340 0.041 0.000 0.195 140 Q C 2.192 178.242 176.000 0.083 0.000 0.971 140 Q CA 1.788 57.643 55.803 0.088 0.000 0.826 140 Q CB -0.226 28.554 28.738 0.070 0.000 0.896 140 Q HN 0.401 nan 8.270 nan 0.000 0.449 141 V N 1.581 121.545 119.914 0.084 0.000 2.427 141 V HA -0.142 4.003 4.120 0.041 0.000 0.248 141 V C 1.715 177.838 176.094 0.048 0.000 1.051 141 V CA 1.672 64.011 62.300 0.065 0.000 1.048 141 V CB -0.216 31.644 31.823 0.062 0.000 0.666 141 V HN 0.257 nan 8.190 nan 0.000 0.456 142 E N -0.632 119.597 120.200 0.048 0.000 2.489 142 E HA 0.220 4.595 4.350 0.041 0.000 0.204 142 E C 1.717 178.347 176.600 0.050 0.000 1.006 142 E CA 0.726 57.149 56.400 0.038 0.000 0.936 142 E CB 0.748 30.463 29.700 0.025 0.000 1.002 142 E HN 0.577 nan 8.360 nan 0.000 0.488 143 G N 1.784 110.624 108.800 0.067 0.000 2.153 143 G HA2 -0.313 3.672 3.960 0.041 0.000 0.252 143 G HA3 -0.313 3.672 3.960 0.041 0.000 0.252 143 G C 0.516 175.469 174.900 0.089 0.000 0.994 143 G CA 0.395 45.542 45.100 0.080 0.000 0.698 143 G HN 0.465 nan 8.290 nan 0.000 0.521 144 A N -0.631 122.242 122.820 0.088 0.000 2.371 144 A HA 0.670 5.014 4.320 0.041 0.000 0.257 144 A C 0.573 178.249 177.584 0.153 0.000 1.089 144 A CA 0.144 52.241 52.037 0.099 0.000 0.794 144 A CB 1.088 20.130 19.000 0.071 0.000 1.029 144 A HN 1.121 nan 8.150 nan 0.000 0.488 145 V N 3.496 123.507 119.914 0.163 0.000 2.368 145 V HA 0.274 4.418 4.120 0.041 0.000 0.266 145 V C -0.024 176.214 176.094 0.240 0.000 1.045 145 V CA 0.018 62.444 62.300 0.210 0.000 0.899 145 V CB 0.525 32.459 31.823 0.185 0.000 1.006 145 V HN 0.712 nan 8.190 nan 0.000 0.470 146 L N 6.574 127.995 121.223 0.330 0.000 2.307 146 L HA 0.715 5.080 4.340 0.041 0.000 0.284 146 L C -0.673 176.504 176.870 0.511 0.000 1.023 146 L CA -0.152 54.939 54.840 0.419 0.000 0.810 146 L CB 1.720 44.029 42.059 0.417 0.000 1.231 146 L HN 0.424 nan 8.230 nan 0.000 0.423 147 V N 3.405 123.594 119.914 0.459 0.000 2.540 147 V HA 0.672 4.816 4.120 0.041 0.000 0.302 147 V C -0.398 175.963 176.094 0.445 0.000 1.035 147 V CA -0.441 62.086 62.300 0.377 0.000 0.873 147 V CB 1.945 33.914 31.823 0.243 0.000 0.992 147 V HN 0.850 nan 8.190 nan 0.000 0.428 148 S N 5.551 121.518 115.700 0.446 0.000 2.548 148 S HA 0.908 5.403 4.470 0.041 0.000 0.286 148 S C -0.804 173.966 174.600 0.283 0.000 1.098 148 S CA -0.795 57.665 58.200 0.434 0.000 0.930 148 S CB 2.308 65.890 63.200 0.636 0.000 1.070 148 S HN 0.882 nan 8.310 nan 0.000 0.480 149 M N 1.480 121.215 119.600 0.224 0.000 2.591 149 M HA 0.630 5.135 4.480 0.041 0.000 0.306 149 M C -1.746 174.784 176.300 0.384 0.000 1.190 149 M CA -0.565 54.857 55.300 0.203 0.000 0.889 149 M CB 1.259 33.797 32.600 -0.103 0.000 1.728 149 M HN 0.565 nan 8.290 nan 0.000 0.458 150 N N 2.698 121.689 118.700 0.484 0.000 2.530 150 N HA 0.562 5.327 4.740 0.041 0.000 0.277 150 N C -1.366 174.440 175.510 0.494 0.000 1.168 150 N CA 0.183 53.535 53.050 0.504 0.000 0.979 150 N CB 0.490 39.191 38.487 0.356 0.000 1.141 150 N HN 0.721 nan 8.380 nan 0.000 0.459 151 Y N -1.974 118.509 120.300 0.306 0.000 2.524 151 Y HA 0.554 5.129 4.550 0.041 0.000 0.347 151 Y C -0.040 175.987 175.900 0.212 0.000 1.005 151 Y CA -1.332 56.886 58.100 0.197 0.000 1.025 151 Y CB 0.867 39.372 38.460 0.075 0.000 1.275 151 Y HN 0.214 nan 8.280 nan 0.000 0.460 152 R N 1.782 122.398 120.500 0.194 0.000 2.623 152 R HA 0.470 4.834 4.340 0.041 0.000 0.271 152 R C -0.259 176.159 176.300 0.196 0.000 1.043 152 R CA 0.090 56.262 56.100 0.119 0.000 1.083 152 R CB 0.692 31.033 30.300 0.069 0.000 0.974 152 R HN 0.732 nan 8.270 nan 0.000 0.436 153 V N -0.756 119.326 119.914 0.280 0.000 3.156 153 V HA 0.856 5.001 4.120 0.041 0.000 0.311 153 V C 0.740 177.143 176.094 0.515 0.000 1.208 153 V CA -0.235 62.347 62.300 0.470 0.000 1.063 153 V CB 1.063 33.062 31.823 0.294 0.000 1.098 153 V HN 0.957 nan 8.190 nan 0.000 0.452 154 G N 1.536 110.661 108.800 0.541 0.000 2.594 154 G HA2 -0.318 3.666 3.960 0.041 0.000 0.297 154 G HA3 -0.318 3.666 3.960 0.041 0.000 0.297 154 G C 1.088 176.111 174.900 0.204 0.000 1.273 154 G CA 1.821 47.161 45.100 0.401 0.000 0.974 154 G HN 2.396 nan 8.290 nan 0.000 0.552 155 T N -1.938 112.471 114.554 -0.241 0.000 2.821 155 T HA 0.031 4.406 4.350 0.041 0.000 0.267 155 T C 2.150 176.705 174.700 -0.242 0.000 1.046 155 T CA 2.362 64.062 62.100 -0.667 0.000 1.139 155 T CB -0.318 68.009 68.868 -0.902 0.000 0.871 155 T HN 0.494 nan 8.240 nan 0.000 0.454 156 F N 2.126 122.138 119.950 0.103 0.000 2.234 156 F HA 0.269 4.820 4.527 0.041 0.000 0.299 156 F C 2.706 178.504 175.800 -0.003 0.000 1.087 156 F CA 0.742 58.763 58.000 0.034 0.000 1.340 156 F CB -0.848 38.141 39.000 -0.018 0.000 1.031 156 F HN 0.372 nan 8.300 nan 0.000 0.500 157 G N -2.151 106.728 108.800 0.132 0.000 2.719 157 G HA2 0.017 4.002 3.960 0.041 0.000 0.211 157 G HA3 0.017 4.002 3.960 0.041 0.000 0.211 157 G C 0.921 175.401 174.900 -0.700 0.000 1.140 157 G CA 0.226 45.151 45.100 -0.291 0.000 0.790 157 G HN 0.326 nan 8.290 nan 0.000 0.529 158 F N -0.663 119.359 119.950 0.121 0.000 2.871 158 F HA 0.433 4.985 4.527 0.042 0.000 0.344 158 F C 0.505 176.352 175.800 0.078 0.000 1.078 158 F CA -0.990 57.058 58.000 0.080 0.000 1.149 158 F CB 0.420 39.476 39.000 0.094 0.000 1.087 158 F HN -0.091 nan 8.300 nan 0.000 0.557 159 L N 2.121 123.360 121.223 0.027 0.000 2.477 159 L HA 0.528 4.893 4.340 0.041 0.000 0.272 159 L C 0.010 176.823 176.870 -0.095 0.000 1.157 159 L CA -0.012 54.736 54.840 -0.153 0.000 0.889 159 L CB 0.220 41.887 42.059 -0.654 0.000 1.158 159 L HN 0.107 nan 8.230 nan 0.000 0.473 160 A N 6.411 129.230 122.820 -0.000 0.000 2.355 160 A HA 0.670 5.015 4.320 0.041 0.000 0.317 160 A C -0.891 176.664 177.584 -0.050 0.000 1.094 160 A CA -0.636 51.386 52.037 -0.026 0.000 0.764 160 A CB 1.196 20.210 19.000 0.024 0.000 1.230 160 A HN 0.733 nan 8.150 nan 0.000 0.448 161 L N 3.344 124.526 121.223 -0.068 0.000 2.371 161 L HA 0.297 4.661 4.340 0.041 0.000 0.262 161 L C -2.427 174.429 176.870 -0.024 0.000 1.054 161 L CA -1.823 52.987 54.840 -0.049 0.000 0.924 161 L CB 1.239 43.258 42.059 -0.067 0.000 1.295 161 L HN 0.416 nan 8.230 nan 0.000 0.441 162 P HA 0.046 nan 4.420 nan 0.000 0.264 162 P C 0.970 178.269 177.300 -0.001 0.000 1.183 162 P CA 0.849 63.948 63.100 -0.001 0.000 0.763 162 P CB 0.985 32.685 31.700 -0.000 0.000 0.807 163 G N 1.852 110.656 108.800 0.005 0.000 2.284 163 G HA2 -0.260 3.725 3.960 0.041 0.000 0.230 163 G HA3 -0.260 3.725 3.960 0.041 0.000 0.230 163 G C 0.499 175.402 174.900 0.006 0.000 1.021 163 G CA 0.258 45.361 45.100 0.006 0.000 0.619 163 G HN 0.821 nan 8.290 nan 0.000 0.510 164 S N 0.255 115.956 115.700 0.001 0.000 2.584 164 S HA 0.508 5.003 4.470 0.041 0.000 0.270 164 S C 1.257 175.865 174.600 0.013 0.000 1.346 164 S CA 0.696 58.898 58.200 0.002 0.000 1.018 164 S CB 1.724 64.919 63.200 -0.008 0.000 0.899 164 S HN 0.567 nan 8.310 nan 0.000 0.542 165 R N 0.531 121.041 120.500 0.016 0.000 2.140 165 R HA -0.003 4.361 4.340 0.041 0.000 0.213 165 R C 1.614 177.934 176.300 0.034 0.000 1.059 165 R CA 1.098 57.212 56.100 0.024 0.000 1.000 165 R CB -0.101 30.213 30.300 0.023 0.000 0.910 165 R HN 0.917 nan 8.270 nan 0.000 0.455 166 E N -0.695 119.526 120.200 0.034 0.000 2.340 166 E HA 0.044 4.418 4.350 0.041 0.000 0.194 166 E C -0.086 176.563 176.600 0.080 0.000 0.996 166 E CA 0.387 56.821 56.400 0.057 0.000 0.869 166 E CB 0.696 30.430 29.700 0.057 0.000 0.835 166 E HN 0.185 nan 8.360 nan 0.000 0.493 167 A N 2.597 125.439 122.820 0.038 0.000 3.266 167 A HA 0.352 4.697 4.320 0.041 0.000 0.310 167 A C -2.185 175.400 177.584 0.003 0.000 1.066 167 A CA -1.014 51.035 52.037 0.021 0.000 0.839 167 A CB 0.866 19.800 19.000 -0.109 0.000 1.192 167 A HN -0.072 nan 8.150 nan 0.000 0.496 168 P HA 0.183 nan 4.420 nan 0.000 0.241 168 P C 0.867 178.181 177.300 0.024 0.000 1.191 168 P CA 1.538 64.653 63.100 0.026 0.000 0.771 168 P CB 0.135 31.859 31.700 0.040 0.000 0.929 169 G N 1.098 109.909 108.800 0.019 0.000 2.730 169 G HA2 -0.201 3.783 3.960 0.041 0.000 0.686 169 G HA3 -0.201 3.783 3.960 0.041 0.000 0.686 169 G C -0.063 174.834 174.900 -0.006 0.000 1.343 169 G CA -0.313 44.800 45.100 0.022 0.000 0.826 169 G HN 0.149 nan 8.290 nan 0.000 0.582 170 N N -2.348 116.346 118.700 -0.010 0.000 2.713 170 N HA -0.284 4.480 4.740 0.041 0.000 0.251 170 N C 1.849 177.212 175.510 -0.246 0.000 1.117 170 N CA 2.342 55.319 53.050 -0.122 0.000 0.770 170 N CB -1.639 36.710 38.487 -0.230 0.000 1.137 170 N HN 1.902 nan 8.380 nan 0.000 0.566 171 V N -2.761 117.004 119.914 -0.248 0.000 2.515 171 V HA 0.026 4.171 4.120 0.041 0.000 0.250 171 V C 2.350 178.298 176.094 -0.243 0.000 1.058 171 V CA 2.208 64.406 62.300 -0.169 0.000 1.064 171 V CB -0.900 30.877 31.823 -0.077 0.000 0.675 171 V HN 0.255 nan 8.190 nan 0.000 0.461 172 G N 0.554 108.993 108.800 -0.601 0.000 2.450 172 G HA2 -0.176 3.808 3.960 0.041 0.000 0.220 172 G HA3 -0.176 3.808 3.960 0.041 0.000 0.220 172 G C 1.560 176.401 174.900 -0.098 0.000 1.130 172 G CA 1.294 46.151 45.100 -0.406 0.000 0.760 172 G HN 0.548 nan 8.290 nan 0.000 0.557 173 L N -0.352 120.758 121.223 -0.190 0.000 2.179 173 L HA 0.161 4.525 4.340 0.041 0.000 0.208 173 L C 2.744 179.611 176.870 -0.006 0.000 1.096 173 L CA 0.195 54.913 54.840 -0.203 0.000 0.779 173 L CB -0.186 41.442 42.059 -0.717 0.000 0.922 173 L HN 0.179 nan 8.230 nan 0.000 0.443 174 L N -0.689 120.543 121.223 0.015 0.000 2.156 174 L HA -0.151 4.213 4.340 0.041 0.000 0.208 174 L C 2.098 179.075 176.870 0.179 0.000 1.095 174 L CA 0.632 55.581 54.840 0.182 0.000 0.770 174 L CB -0.461 41.687 42.059 0.149 0.000 0.914 174 L HN 0.243 nan 8.230 nan 0.000 0.439 175 D N 0.162 120.654 120.400 0.153 0.000 2.092 175 D HA -0.226 4.438 4.640 0.041 0.000 0.193 175 D C 2.234 178.658 176.300 0.207 0.000 0.994 175 D CA 1.305 55.464 54.000 0.264 0.000 0.828 175 D CB -0.190 40.781 40.800 0.285 0.000 0.963 175 D HN 0.359 nan 8.370 nan 0.000 0.450 176 Q N 0.054 119.917 119.800 0.104 0.000 2.061 176 Q HA -0.182 4.183 4.340 0.041 0.000 0.204 176 Q C 2.305 178.281 176.000 -0.040 0.000 0.984 176 Q CA 1.379 57.166 55.803 -0.025 0.000 0.846 176 Q CB -0.119 28.602 28.738 -0.030 0.000 0.902 176 Q HN 0.221 nan 8.270 nan 0.000 0.421 177 R N 0.540 121.127 120.500 0.145 0.000 2.081 177 R HA -0.177 4.188 4.340 0.041 0.000 0.235 177 R C 2.210 178.558 176.300 0.079 0.000 1.131 177 R CA 1.113 57.291 56.100 0.129 0.000 0.960 177 R CB -0.300 30.189 30.300 0.315 0.000 0.856 177 R HN 0.234 nan 8.270 nan 0.000 0.436 178 L N 0.983 122.282 121.223 0.127 0.000 2.079 178 L HA -0.094 4.270 4.340 0.041 0.000 0.210 178 L C 2.286 179.188 176.870 0.053 0.000 1.081 178 L CA 2.145 57.081 54.840 0.160 0.000 0.752 178 L CB -0.706 41.523 42.059 0.284 0.000 0.896 178 L HN 0.315 nan 8.230 nan 0.000 0.433 179 A N -1.167 121.496 122.820 -0.261 0.000 1.930 179 A HA -0.130 4.215 4.320 0.041 0.000 0.217 179 A C 2.076 179.596 177.584 -0.107 0.000 1.175 179 A CA 1.600 53.311 52.037 -0.542 0.000 0.627 179 A CB -0.686 17.733 19.000 -0.969 0.000 0.815 179 A HN 0.398 nan 8.150 nan 0.000 0.443 180 L N -0.411 120.760 121.223 -0.086 0.000 2.046 180 L HA -0.185 4.179 4.340 0.041 0.000 0.208 180 L C 2.595 179.505 176.870 0.066 0.000 1.077 180 L CA 2.044 56.876 54.840 -0.014 0.000 0.747 180 L CB -1.195 40.815 42.059 -0.082 0.000 0.896 180 L HN 0.473 nan 8.230 nan 0.000 0.432 181 Q N -2.095 117.756 119.800 0.084 0.000 2.084 181 Q HA -0.271 4.094 4.340 0.041 0.000 0.202 181 Q C 2.160 178.245 176.000 0.142 0.000 0.978 181 Q CA 1.913 57.777 55.803 0.102 0.000 0.844 181 Q CB -0.346 28.461 28.738 0.115 0.000 0.898 181 Q HN 0.578 nan 8.270 nan 0.000 0.426 182 W N -0.200 121.107 121.300 0.012 0.000 2.338 182 W HA -0.239 4.446 4.660 0.041 0.000 0.304 182 W C 1.713 178.259 176.519 0.045 0.000 1.212 182 W CA 1.492 58.865 57.345 0.048 0.000 1.264 182 W CB -0.161 29.330 29.460 0.052 0.000 1.142 182 W HN -0.095 nan 8.180 nan 0.000 0.512 183 V N 0.863 120.943 119.914 0.276 0.000 2.295 183 V HA -0.355 3.790 4.120 0.041 0.000 0.246 183 V C 2.555 178.645 176.094 -0.006 0.000 1.049 183 V CA 2.085 64.466 62.300 0.137 0.000 1.024 183 V CB -1.205 30.733 31.823 0.191 0.000 0.648 183 V HN 0.178 nan 8.190 nan 0.000 0.447 184 Q N 0.236 120.047 119.800 0.017 0.000 2.133 184 Q HA -0.257 4.108 4.340 0.041 0.000 0.208 184 Q C 2.142 178.104 176.000 -0.064 0.000 0.991 184 Q CA 1.960 57.763 55.803 -0.001 0.000 0.867 184 Q CB -0.377 28.369 28.738 0.013 0.000 0.911 184 Q HN 0.744 nan 8.270 nan 0.000 0.417 185 E N -0.723 119.396 120.200 -0.135 0.000 2.442 185 E HA 0.024 4.399 4.350 0.041 0.000 0.195 185 E C 0.966 177.399 176.600 -0.278 0.000 1.030 185 E CA 0.140 56.431 56.400 -0.181 0.000 0.869 185 E CB 0.323 29.914 29.700 -0.182 0.000 0.857 185 E HN 0.306 nan 8.360 nan 0.000 0.505 186 N N -0.342 118.117 118.700 -0.402 0.000 2.104 186 N HA 0.040 4.805 4.740 0.041 0.000 0.227 186 N C 1.252 176.663 175.510 -0.165 0.000 1.321 186 N CA 0.048 52.812 53.050 -0.476 0.000 0.877 186 N CB 0.604 38.369 38.487 -1.204 0.000 1.117 186 N HN 0.034 nan 8.380 nan 0.000 0.486 187 I N 2.350 122.866 120.570 -0.090 0.000 2.546 187 I HA -0.019 4.176 4.170 0.041 0.000 0.255 187 I C 2.190 178.411 176.117 0.174 0.000 1.163 187 I CA 0.641 62.011 61.300 0.116 0.000 1.457 187 I CB -0.163 37.886 38.000 0.081 0.000 1.092 187 I HN 0.061 nan 8.210 nan 0.000 0.434 188 A N 0.480 123.334 122.820 0.057 0.000 1.948 188 A HA -0.240 4.104 4.320 0.041 0.000 0.220 188 A C 2.460 180.050 177.584 0.011 0.000 1.177 188 A CA 1.904 53.959 52.037 0.030 0.000 0.636 188 A CB -1.207 17.786 19.000 -0.013 0.000 0.815 188 A HN 0.487 nan 8.150 nan 0.000 0.449 189 A N -1.951 120.846 122.820 -0.039 0.000 2.125 189 A HA 0.125 4.470 4.320 0.041 0.000 0.219 189 A C 1.508 178.894 177.584 -0.329 0.000 1.156 189 A CA 1.169 53.079 52.037 -0.211 0.000 0.671 189 A CB -0.586 18.207 19.000 -0.346 0.000 0.794 189 A HN 0.505 nan 8.150 nan 0.000 0.459 190 F N -1.288 118.611 119.950 -0.085 0.000 2.695 190 F HA 0.380 4.932 4.527 0.041 0.000 0.303 190 F C 1.692 177.498 175.800 0.009 0.000 1.091 190 F CA 0.377 58.342 58.000 -0.059 0.000 1.300 190 F CB 0.257 39.231 39.000 -0.044 0.000 1.071 190 F HN 0.294 nan 8.300 nan 0.000 0.578 191 G N 0.757 109.646 108.800 0.149 0.000 2.147 191 G HA2 -0.164 3.820 3.960 0.041 0.000 0.244 191 G HA3 -0.164 3.820 3.960 0.041 0.000 0.244 191 G C 0.574 175.546 174.900 0.119 0.000 1.005 191 G CA -0.169 44.992 45.100 0.102 0.000 0.713 191 G HN 0.724 nan 8.290 nan 0.000 0.515 192 G N -0.864 108.024 108.800 0.146 0.000 2.504 192 G HA2 0.495 4.480 3.960 0.041 0.000 0.288 192 G HA3 0.495 4.480 3.960 0.041 0.000 0.288 192 G C -0.687 174.263 174.900 0.083 0.000 1.182 192 G CA 0.083 45.255 45.100 0.121 0.000 0.894 192 G HN 0.224 nan 8.290 nan 0.000 0.521 193 D N 0.774 121.216 120.400 0.069 0.000 2.396 193 D HA 0.307 4.972 4.640 0.041 0.000 0.225 193 D C -1.342 174.996 176.300 0.062 0.000 1.121 193 D CA -2.347 51.678 54.000 0.043 0.000 0.853 193 D CB 1.921 42.731 40.800 0.016 0.000 1.043 193 D HN 0.001 nan 8.370 nan 0.000 0.500 194 P HA -0.032 nan 4.420 nan 0.000 0.239 194 P C 1.159 178.553 177.300 0.158 0.000 1.184 194 P CA 0.578 63.737 63.100 0.099 0.000 0.760 194 P CB 0.162 31.898 31.700 0.059 0.000 0.884 195 M N -1.492 118.137 119.600 0.049 0.000 2.495 195 M HA 0.085 4.589 4.480 0.041 0.000 0.237 195 M C 0.563 176.576 176.300 -0.478 0.000 1.131 195 M CA 0.434 55.670 55.300 -0.106 0.000 1.032 195 M CB 0.335 32.861 32.600 -0.124 0.000 1.513 195 M HN -0.196 nan 8.290 nan 0.000 0.488 196 S N 0.882 116.497 115.700 -0.141 0.000 2.279 196 S HA 0.412 4.906 4.470 0.041 0.000 0.176 196 S C -1.023 173.677 174.600 0.167 0.000 1.554 196 S CA -0.562 57.583 58.200 -0.092 0.000 1.242 196 S CB 0.385 63.532 63.200 -0.088 0.000 1.163 196 S HN -0.024 nan 8.310 nan 0.000 0.449 197 V N 3.890 124.091 119.914 0.478 0.000 2.384 197 V HA 0.553 4.698 4.120 0.041 0.000 0.287 197 V C 0.068 176.348 176.094 0.311 0.000 1.020 197 V CA -0.403 62.096 62.300 0.333 0.000 0.850 197 V CB 1.770 33.759 31.823 0.277 0.000 0.987 197 V HN 0.726 nan 8.190 nan 0.000 0.436 198 T N 6.562 121.251 114.554 0.225 0.000 2.786 198 T HA 0.586 4.961 4.350 0.041 0.000 0.283 198 T C -0.282 174.550 174.700 0.220 0.000 0.992 198 T CA -0.355 61.874 62.100 0.216 0.000 0.954 198 T CB 0.936 69.887 68.868 0.137 0.000 0.934 198 T HN 0.334 nan 8.240 nan 0.000 0.440 199 L N 4.790 126.102 121.223 0.149 0.000 2.350 199 L HA 0.688 5.053 4.340 0.041 0.000 0.275 199 L C -0.438 176.611 176.870 0.298 0.000 1.099 199 L CA -0.838 54.054 54.840 0.087 0.000 0.808 199 L CB 0.466 42.339 42.059 -0.311 0.000 1.149 199 L HN 0.624 nan 8.230 nan 0.000 0.442 200 F N 0.324 120.308 119.950 0.056 0.000 2.599 200 F HA 0.968 5.519 4.527 0.041 0.000 0.311 200 F C -0.283 175.443 175.800 -0.123 0.000 1.076 200 F CA -1.629 56.436 58.000 0.109 0.000 0.937 200 F CB 1.601 40.823 39.000 0.370 0.000 1.282 200 F HN 0.459 nan 8.300 nan 0.000 0.460 201 G N 0.874 109.526 108.800 -0.247 0.000 2.601 201 G HA2 0.494 4.478 3.960 0.041 0.000 0.291 201 G HA3 0.494 4.478 3.960 0.041 0.000 0.291 201 G C -2.447 172.196 174.900 -0.428 0.000 1.456 201 G CA -0.728 43.858 45.100 -0.858 0.000 0.804 201 G HN 0.901 nan 8.290 nan 0.000 0.499 205 G N 0.725 109.259 108.800 -0.444 0.000 2.446 205 G HA2 0.064 4.048 3.960 0.041 0.000 0.217 205 G HA3 0.064 4.048 3.960 0.041 0.000 0.217 205 G C 1.689 176.385 174.900 -0.341 0.000 1.168 205 G CA 1.996 46.813 45.100 -0.472 0.000 0.771 205 G HN 1.259 nan 8.290 nan 0.000 0.551 206 A N 1.279 123.964 122.820 -0.225 0.000 1.877 206 A HA 0.251 4.596 4.320 0.041 0.000 0.216 206 A C 2.876 180.412 177.584 -0.080 0.000 1.186 206 A CA 2.402 54.370 52.037 -0.114 0.000 0.620 206 A CB -1.014 17.970 19.000 -0.027 0.000 0.822 206 A HN 0.923 nan 8.150 nan 0.000 0.443 207 A N -0.200 122.601 122.820 -0.030 0.000 1.903 207 A HA -0.193 4.152 4.320 0.041 0.000 0.219 207 A C 2.450 180.021 177.584 -0.022 0.000 1.191 207 A CA 2.506 54.525 52.037 -0.030 0.000 0.638 207 A CB -1.077 17.946 19.000 0.038 0.000 0.823 207 A HN 0.509 nan 8.150 nan 0.000 0.451 208 S N -0.564 115.117 115.700 -0.032 0.000 2.368 208 S HA -0.132 4.362 4.470 0.041 0.000 0.225 208 S C 1.885 176.426 174.600 -0.098 0.000 1.030 208 S CA 1.382 59.527 58.200 -0.091 0.000 0.999 208 S CB -0.617 62.476 63.200 -0.179 0.000 0.844 208 S HN 0.369 nan 8.310 nan 0.000 0.459 209 V N 1.939 121.795 119.914 -0.096 0.000 2.287 209 V HA -0.192 3.952 4.120 0.041 0.000 0.248 209 V C 2.693 178.754 176.094 -0.054 0.000 1.053 209 V CA 2.044 64.295 62.300 -0.082 0.000 1.027 209 V CB -1.615 30.131 31.823 -0.129 0.000 0.646 209 V HN 0.598 nan 8.190 nan 0.000 0.447 210 G N -0.814 107.950 108.800 -0.061 0.000 2.442 210 G HA2 -0.291 3.694 3.960 0.041 0.000 0.219 210 G HA3 -0.291 3.694 3.960 0.041 0.000 0.219 210 G C 1.607 176.499 174.900 -0.013 0.000 1.141 210 G CA 1.227 46.300 45.100 -0.046 0.000 0.763 210 G HN 0.469 nan 8.290 nan 0.000 0.554 211 M N -0.190 119.383 119.600 -0.046 0.000 2.229 211 M HA 0.034 4.538 4.480 0.041 0.000 0.264 211 M C 2.282 178.620 176.300 0.063 0.000 1.063 211 M CA 0.869 56.173 55.300 0.008 0.000 1.114 211 M CB -0.273 32.314 32.600 -0.022 0.000 1.387 211 M HN 0.197 nan 8.290 nan 0.000 0.420 212 H N -0.025 119.145 119.070 0.166 0.000 2.421 212 H HA -0.045 4.536 4.556 0.041 0.000 0.298 212 H C 2.153 177.673 175.328 0.320 0.000 1.087 212 H CA 1.436 57.603 56.048 0.200 0.000 1.330 212 H CB -0.379 29.400 29.762 0.027 0.000 1.388 212 H HN 0.422 nan 8.280 nan 0.000 0.526 213 I N 0.665 121.458 120.570 0.371 0.000 2.286 213 I HA -0.242 3.953 4.170 0.041 0.000 0.248 213 I C 1.792 178.066 176.117 0.262 0.000 1.115 213 I CA 1.135 62.663 61.300 0.381 0.000 1.392 213 I CB -0.036 38.090 38.000 0.209 0.000 1.065 213 I HN 0.112 nan 8.210 nan 0.000 0.418 214 L N -0.923 120.407 121.223 0.179 0.000 2.607 214 L HA 0.129 4.494 4.340 0.041 0.000 0.228 214 L C 0.784 177.691 176.870 0.062 0.000 1.123 214 L CA -0.014 54.915 54.840 0.150 0.000 0.890 214 L CB 0.092 42.220 42.059 0.114 0.000 1.103 214 L HN -0.000 nan 8.230 nan 0.000 0.468 215 S N -0.219 115.486 115.700 0.009 0.000 2.566 215 S HA 0.310 4.804 4.470 0.041 0.000 0.324 215 S C 0.809 175.325 174.600 -0.140 0.000 1.081 215 S CA -0.588 57.498 58.200 -0.190 0.000 1.105 215 S CB 1.362 64.174 63.200 -0.646 0.000 0.981 215 S HN 0.206 nan 8.310 nan 0.000 0.464 216 L N 6.181 127.330 121.223 -0.122 0.000 2.013 216 L HA 0.004 4.368 4.340 0.041 0.000 0.212 216 L C -0.900 175.920 176.870 -0.084 0.000 1.073 216 L CA 1.713 56.504 54.840 -0.081 0.000 0.753 216 L CB -0.647 41.367 42.059 -0.076 0.000 0.890 216 L HN 0.521 nan 8.230 nan 0.000 0.432 217 P HA -0.082 nan 4.420 nan 0.000 0.225 217 P C 1.410 178.693 177.300 -0.028 0.000 1.148 217 P CA 1.058 64.112 63.100 -0.077 0.000 0.779 217 P CB 0.140 31.783 31.700 -0.094 0.000 0.780 218 S N -0.980 114.724 115.700 0.007 0.000 2.425 218 S HA 0.015 4.509 4.470 0.041 0.000 0.225 218 S C 1.836 176.514 174.600 0.131 0.000 1.024 218 S CA 0.367 58.668 58.200 0.169 0.000 0.951 218 S CB -0.319 63.132 63.200 0.418 0.000 0.796 218 S HN 0.072 nan 8.310 nan 0.000 0.498 219 R N 2.083 122.576 120.500 -0.011 0.000 2.139 219 R HA -0.050 4.315 4.340 0.041 0.000 0.243 219 R C 2.232 178.319 176.300 -0.356 0.000 1.145 219 R CA 1.491 57.430 56.100 -0.269 0.000 0.976 219 R CB -1.231 28.970 30.300 -0.164 0.000 0.866 219 R HN 0.574 nan 8.270 nan 0.000 0.449 220 S N -0.101 115.488 115.700 -0.185 0.000 2.607 220 S HA 0.073 4.567 4.470 0.041 0.000 0.224 220 S C 1.716 176.212 174.600 -0.173 0.000 0.969 220 S CA 0.281 58.381 58.200 -0.166 0.000 0.927 220 S CB -0.135 63.016 63.200 -0.081 0.000 0.772 220 S HN 0.233 nan 8.310 nan 0.000 0.533 221 L N 0.059 121.194 121.223 -0.147 0.000 2.693 221 L HA 0.480 4.844 4.340 0.041 0.000 0.235 221 L C 0.106 176.962 176.870 -0.024 0.000 1.127 221 L CA -0.318 54.500 54.840 -0.037 0.000 0.914 221 L CB -0.006 42.095 42.059 0.070 0.000 1.193 221 L HN 0.481 nan 8.230 nan 0.000 0.502 222 F N -3.967 115.771 119.950 -0.354 0.000 2.715 222 F HA 0.505 5.056 4.527 0.041 0.000 0.318 222 F C 0.520 175.924 175.800 -0.660 0.000 1.141 222 F CA -0.978 56.764 58.000 -0.429 0.000 0.950 222 F CB 0.844 39.759 39.000 -0.141 0.000 1.374 222 F HN -0.149 nan 8.300 nan 0.000 0.477 223 H N -0.737 118.387 119.070 0.091 0.000 3.440 223 H HA 0.478 5.058 4.556 0.041 0.000 0.259 223 H C -0.247 175.116 175.328 0.057 0.000 1.120 223 H CA -0.056 55.967 56.048 -0.042 0.000 1.191 223 H CB 0.992 30.735 29.762 -0.032 0.000 1.537 223 H HN 0.460 nan 8.280 nan 0.000 0.547 224 R N 0.079 120.797 120.500 0.364 0.000 2.692 224 R HA 0.675 5.040 4.340 0.041 0.000 0.269 224 R C -1.575 174.996 176.300 0.453 0.000 1.030 224 R CA -0.615 55.671 56.100 0.310 0.000 0.882 224 R CB 2.648 32.954 30.300 0.010 0.000 1.250 224 R HN 0.137 nan 8.270 nan 0.000 0.465 225 A N 1.128 124.211 122.820 0.437 0.000 2.515 225 A HA 0.725 5.069 4.320 0.041 0.000 0.298 225 A C -1.458 176.239 177.584 0.188 0.000 1.059 225 A CA -0.602 51.594 52.037 0.265 0.000 0.698 225 A CB 2.011 21.115 19.000 0.172 0.000 1.289 225 A HN 0.270 nan 8.150 nan 0.000 0.404 226 V N 2.102 122.079 119.914 0.105 0.000 2.483 226 V HA 0.457 4.601 4.120 0.041 0.000 0.297 226 V C -1.119 175.022 176.094 0.078 0.000 1.027 226 V CA -0.258 62.037 62.300 -0.008 0.000 0.855 226 V CB 1.212 33.041 31.823 0.010 0.000 0.995 226 V HN 0.687 nan 8.190 nan 0.000 0.424 227 L N 5.340 126.578 121.223 0.026 0.000 2.295 227 L HA 0.517 4.882 4.340 0.041 0.000 0.281 227 L C 0.095 177.024 176.870 0.099 0.000 1.018 227 L CA 0.143 55.001 54.840 0.029 0.000 0.841 227 L CB 1.426 43.462 42.059 -0.037 0.000 1.218 227 L HN 0.627 nan 8.230 nan 0.000 0.424 228 Q N 2.075 121.981 119.800 0.177 0.000 2.314 228 Q HA 0.398 4.763 4.340 0.041 0.000 0.259 228 Q C 0.310 176.404 176.000 0.157 0.000 0.951 228 Q CA -0.549 55.424 55.803 0.283 0.000 0.909 228 Q CB 1.394 30.402 28.738 0.450 0.000 1.236 228 Q HN 0.622 nan 8.270 nan 0.000 0.444 229 S N 0.901 116.675 115.700 0.125 0.000 3.521 229 S HA -0.197 4.298 4.470 0.041 0.000 0.362 229 S C 0.097 174.767 174.600 0.117 0.000 1.044 229 S CA 0.643 58.905 58.200 0.103 0.000 1.091 229 S CB -1.130 62.144 63.200 0.124 0.000 0.908 229 S HN 0.962 nan 8.310 nan 0.000 0.473 230 G N -0.624 108.246 108.800 0.117 0.000 2.601 230 G HA2 0.701 4.685 3.960 0.041 0.000 0.291 230 G HA3 0.701 4.685 3.960 0.041 0.000 0.291 230 G C -0.910 174.036 174.900 0.077 0.000 1.456 230 G CA 0.156 45.397 45.100 0.235 0.000 0.804 230 G HN 0.901 nan 8.290 nan 0.000 0.499 231 T N -1.873 112.684 114.554 0.006 0.000 2.853 231 T HA 0.718 5.093 4.350 0.041 0.000 0.311 231 T C -2.431 172.118 174.700 -0.251 0.000 1.307 231 T CA -1.321 60.704 62.100 -0.126 0.000 1.019 231 T CB 2.862 71.647 68.868 -0.137 0.000 1.264 231 T HN 0.261 nan 8.240 nan 0.000 0.497 232 P HA 0.011 nan 4.420 nan 0.000 0.220 232 P C 0.346 177.483 177.300 -0.271 0.000 1.152 232 P CA 0.641 63.608 63.100 -0.222 0.000 0.812 232 P CB -0.104 31.519 31.700 -0.128 0.000 0.792 233 N N 0.564 119.127 118.700 -0.228 0.000 2.347 233 N HA 0.290 5.054 4.740 0.041 0.000 0.253 233 N C 0.823 176.144 175.510 -0.314 0.000 1.274 233 N CA 0.611 53.532 53.050 -0.216 0.000 0.941 233 N CB 0.037 38.440 38.487 -0.139 0.000 1.200 233 N HN 0.207 nan 8.380 nan 0.000 0.514 234 G N -0.800 107.841 108.800 -0.264 0.000 2.655 234 G HA2 -0.146 3.839 3.960 0.041 0.000 0.680 234 G HA3 -0.146 3.839 3.960 0.041 0.000 0.680 234 G C -2.080 172.618 174.900 -0.337 0.000 1.302 234 G CA -0.200 44.715 45.100 -0.309 0.000 0.872 234 G HN 0.510 nan 8.290 nan 0.000 0.540 235 P HA 0.036 nan 4.420 nan 0.000 0.221 235 P C 1.562 178.838 177.300 -0.040 0.000 1.150 235 P CA 2.479 65.487 63.100 -0.153 0.000 0.800 235 P CB -0.077 31.486 31.700 -0.229 0.000 0.787 236 W N -1.551 119.719 121.300 -0.050 0.000 2.940 236 W HA 0.585 5.269 4.660 0.041 0.000 0.297 236 W C 1.221 177.831 176.519 0.152 0.000 1.149 236 W CA 0.455 57.841 57.345 0.069 0.000 1.564 236 W CB -0.803 28.796 29.460 0.232 0.000 1.010 236 W HN -0.165 nan 8.180 nan 0.000 0.578 237 A N 1.804 124.339 122.820 -0.475 0.000 2.081 237 A HA 0.156 4.500 4.320 0.041 0.000 0.214 237 A C 1.153 178.591 177.584 -0.244 0.000 1.158 237 A CA 1.696 53.489 52.037 -0.407 0.000 0.724 237 A CB -0.732 17.710 19.000 -0.930 0.000 0.826 237 A HN 0.213 nan 8.150 nan 0.000 0.463 238 T N -3.031 111.391 114.554 -0.221 0.000 2.887 238 T HA 0.649 5.023 4.350 0.041 0.000 0.292 238 T C -0.609 174.015 174.700 -0.127 0.000 1.087 238 T CA -0.114 61.870 62.100 -0.193 0.000 1.009 238 T CB 1.481 70.244 68.868 -0.175 0.000 1.203 238 T HN 0.833 nan 8.240 nan 0.000 0.518 239 V N -1.301 118.545 119.914 -0.113 0.000 3.078 239 V HA 0.884 5.029 4.120 0.041 0.000 0.311 239 V C 0.289 176.342 176.094 -0.068 0.000 1.138 239 V CA -0.950 61.300 62.300 -0.083 0.000 1.007 239 V CB 1.284 33.055 31.823 -0.087 0.000 1.045 239 V HN 1.354 nan 8.190 nan 0.000 0.432 240 S N 1.501 117.169 115.700 -0.054 0.000 2.608 240 S HA 0.607 5.102 4.470 0.041 0.000 0.261 240 S C 1.410 175.989 174.600 -0.033 0.000 1.314 240 S CA 0.108 58.284 58.200 -0.040 0.000 0.992 240 S CB 1.168 64.347 63.200 -0.035 0.000 0.935 240 S HN 1.908 nan 8.310 nan 0.000 0.564 241 A N 1.662 124.468 122.820 -0.023 0.000 1.883 241 A HA 0.103 4.447 4.320 0.041 0.000 0.217 241 A C 2.288 179.860 177.584 -0.019 0.000 1.186 241 A CA 1.854 53.882 52.037 -0.016 0.000 0.624 241 A CB -1.987 17.007 19.000 -0.010 0.000 0.822 241 A HN 1.195 nan 8.150 nan 0.000 0.444 242 G N -0.376 108.411 108.800 -0.021 0.000 2.513 242 G HA2 -0.332 3.652 3.960 0.041 0.000 0.219 242 G HA3 -0.332 3.652 3.960 0.041 0.000 0.219 242 G C 1.486 176.369 174.900 -0.028 0.000 1.160 242 G CA 1.607 46.694 45.100 -0.022 0.000 0.767 242 G HN 0.608 nan 8.290 nan 0.000 0.571 243 E N 0.775 120.954 120.200 -0.036 0.000 2.216 243 E HA 0.208 4.582 4.350 0.041 0.000 0.192 243 E C 2.553 179.119 176.600 -0.057 0.000 0.988 243 E CA 1.238 57.608 56.400 -0.049 0.000 0.834 243 E CB -0.445 29.221 29.700 -0.057 0.000 0.772 243 E HN 0.299 nan 8.360 nan 0.000 0.479 244 A N 0.756 123.551 122.820 -0.041 0.000 1.897 244 A HA -0.096 4.249 4.320 0.041 0.000 0.215 244 A C 2.273 179.857 177.584 0.000 0.000 1.181 244 A CA 1.450 53.475 52.037 -0.020 0.000 0.620 244 A CB -0.527 18.474 19.000 0.002 0.000 0.821 244 A HN 0.247 nan 8.150 nan 0.000 0.443 245 R N -0.566 119.928 120.500 -0.011 0.000 2.105 245 R HA -0.128 4.237 4.340 0.041 0.000 0.239 245 R C 2.445 178.737 176.300 -0.013 0.000 1.135 245 R CA 1.594 57.687 56.100 -0.013 0.000 0.967 245 R CB -0.255 30.035 30.300 -0.017 0.000 0.861 245 R HN 0.515 nan 8.270 nan 0.000 0.442 246 R N 0.325 120.812 120.500 -0.021 0.000 2.062 246 R HA -0.089 4.275 4.340 0.041 0.000 0.231 246 R C 2.219 178.507 176.300 -0.021 0.000 1.136 246 R CA 1.632 57.717 56.100 -0.025 0.000 0.948 246 R CB -0.055 30.224 30.300 -0.035 0.000 0.845 246 R HN 0.260 nan 8.270 nan 0.000 0.430 247 R N -0.075 120.402 120.500 -0.039 0.000 2.096 247 R HA -0.054 4.310 4.340 0.041 0.000 0.235 247 R C 2.336 178.699 176.300 0.105 0.000 1.127 247 R CA 1.228 57.302 56.100 -0.043 0.000 0.968 247 R CB -0.367 29.777 30.300 -0.261 0.000 0.861 247 R HN 0.215 nan 8.270 nan 0.000 0.440 248 A N 1.360 124.256 122.820 0.127 0.000 1.845 248 A HA -0.212 4.133 4.320 0.041 0.000 0.215 248 A C 2.421 180.010 177.584 0.009 0.000 1.195 248 A CA 2.233 54.327 52.037 0.093 0.000 0.616 248 A CB -1.230 17.771 19.000 0.001 0.000 0.832 248 A HN 0.503 nan 8.150 nan 0.000 0.443 249 T N -1.781 112.769 114.554 -0.008 0.000 2.788 249 T HA -0.156 4.218 4.350 0.041 0.000 0.268 249 T C 1.730 176.424 174.700 -0.010 0.000 1.044 249 T CA 1.656 63.744 62.100 -0.020 0.000 1.139 249 T CB -0.474 68.382 68.868 -0.021 0.000 0.867 249 T HN 0.283 nan 8.240 nan 0.000 0.454 250 L N 0.164 121.390 121.223 0.005 0.000 2.201 250 L HA 0.329 4.693 4.340 0.041 0.000 0.212 250 L C 2.197 179.077 176.870 0.017 0.000 1.105 250 L CA 1.235 56.078 54.840 0.006 0.000 0.775 250 L CB -0.800 41.264 42.059 0.008 0.000 0.913 250 L HN 0.379 nan 8.230 nan 0.000 0.440 251 L N -0.719 120.535 121.223 0.051 0.000 2.131 251 L HA 0.088 4.453 4.340 0.041 0.000 0.206 251 L C 2.455 179.320 176.870 -0.009 0.000 1.087 251 L CA 1.553 56.427 54.840 0.058 0.000 0.767 251 L CB -0.640 41.489 42.059 0.117 0.000 0.917 251 L HN 0.225 nan 8.230 nan 0.000 0.441 252 A N -0.010 122.794 122.820 -0.027 0.000 1.841 252 A HA -0.288 4.057 4.320 0.041 0.000 0.216 252 A C 2.505 180.068 177.584 -0.034 0.000 1.199 252 A CA 2.049 54.064 52.037 -0.037 0.000 0.621 252 A CB -0.862 18.111 19.000 -0.045 0.000 0.835 252 A HN 0.468 nan 8.150 nan 0.000 0.445 253 R N -0.616 119.864 120.500 -0.034 0.000 2.119 253 R HA -0.165 4.199 4.340 0.041 0.000 0.246 253 R C 2.049 178.309 176.300 -0.066 0.000 1.146 253 R CA 1.872 57.949 56.100 -0.038 0.000 0.962 253 R CB -0.490 29.791 30.300 -0.031 0.000 0.863 253 R HN 0.575 nan 8.270 nan 0.000 0.442 254 L N 0.421 121.581 121.223 -0.106 0.000 2.275 254 L HA -0.099 4.266 4.340 0.041 0.000 0.215 254 L C 1.767 178.475 176.870 -0.270 0.000 1.119 254 L CA 0.696 55.389 54.840 -0.245 0.000 0.790 254 L CB 0.114 41.952 42.059 -0.368 0.000 0.919 254 L HN 0.188 nan 8.230 nan 0.000 0.443 255 V N -4.258 115.592 119.914 -0.106 0.000 3.271 255 V HA 0.528 4.673 4.120 0.041 0.000 0.327 255 V C 1.019 177.122 176.094 0.015 0.000 1.389 255 V CA 0.184 62.485 62.300 0.002 0.000 1.156 255 V CB -0.153 31.719 31.823 0.082 0.000 1.103 255 V HN 0.383 nan 8.190 nan 0.000 0.453 256 G N -0.325 108.470 108.800 -0.009 0.000 2.142 256 G HA2 -0.209 3.776 3.960 0.041 0.000 0.225 256 G HA3 -0.209 3.776 3.960 0.041 0.000 0.225 256 G C -0.055 174.847 174.900 0.003 0.000 1.015 256 G CA -0.077 45.025 45.100 0.002 0.000 0.716 256 G HN 0.709 nan 8.290 nan 0.000 0.508 257 c N 0.817 119.415 118.600 -0.004 0.000 2.379 257 c HA 0.746 5.341 4.570 0.041 0.000 0.323 257 c C -1.691 172.393 174.090 -0.010 0.000 1.262 257 c CA -1.454 54.873 56.329 -0.003 0.000 1.581 257 c CB 1.791 44.300 42.510 -0.001 0.000 2.221 257 c HN 0.390 nan 8.230 nan 0.000 0.497 258 P HA 0.322 nan 4.420 nan 0.000 0.278 258 P C -1.817 175.483 177.300 0.001 0.000 1.258 258 P CA -0.984 62.116 63.100 -0.000 0.000 0.811 258 P CB 0.137 31.836 31.700 -0.001 0.000 1.063 259 P HA -0.199 nan 4.420 nan 0.000 0.219 259 P C 0.652 177.954 177.300 0.003 0.000 1.159 259 P CA 2.255 65.358 63.100 0.006 0.000 0.944 259 P CB -0.348 31.357 31.700 0.007 0.000 0.792 260 G N -2.418 106.383 108.800 0.002 0.000 4.485 260 G HA2 0.427 4.412 3.960 0.041 0.000 0.238 260 G HA3 0.427 4.412 3.960 0.041 0.000 0.238 260 G C 0.567 175.467 174.900 -0.000 0.000 1.216 260 G CA 0.242 45.342 45.100 0.000 0.000 0.611 260 G HN 0.441 nan 8.290 nan 0.000 0.422 261 G N 0.677 109.476 108.800 -0.001 0.000 2.688 261 G HA2 0.470 4.455 3.960 0.041 0.000 0.214 261 G HA3 0.470 4.455 3.960 0.041 0.000 0.214 261 G C 0.769 175.667 174.900 -0.003 0.000 1.211 261 G CA 0.816 45.915 45.100 -0.002 0.000 0.853 261 G HN 1.261 nan 8.290 nan 0.000 0.591 262 A N -0.049 122.768 122.820 -0.005 0.000 2.709 262 A HA 0.694 5.039 4.320 0.041 0.000 0.332 262 A C 0.136 177.714 177.584 -0.009 0.000 1.241 262 A CA 0.146 52.178 52.037 -0.007 0.000 0.782 262 A CB -0.033 18.962 19.000 -0.008 0.000 1.109 262 A HN 1.806 nan 8.150 nan 0.000 0.472 263 G N 0.152 108.947 108.800 -0.008 0.000 2.897 263 G HA2 0.538 4.522 3.960 0.041 0.000 0.392 263 G HA3 0.538 4.522 3.960 0.041 0.000 0.392 263 G C -0.208 174.687 174.900 -0.009 0.000 1.263 263 G CA 0.022 45.115 45.100 -0.011 0.000 1.185 263 G HN 2.108 nan 8.290 nan 0.000 0.573 264 G N 1.123 109.918 108.800 -0.007 0.000 2.902 264 G HA2 0.492 4.477 3.960 0.041 0.000 0.293 264 G HA3 0.492 4.477 3.960 0.041 0.000 0.293 264 G C -0.332 174.566 174.900 -0.002 0.000 3.296 264 G CA 0.248 45.346 45.100 -0.005 0.000 0.614 264 G HN 0.741 nan 8.290 nan 0.000 0.354 265 N N 0.412 119.111 118.700 -0.003 0.000 2.835 265 N HA 0.139 4.904 4.740 0.041 0.000 0.293 265 N C 0.833 176.337 175.510 -0.010 0.000 1.345 265 N CA -0.493 52.554 53.050 -0.006 0.000 0.760 265 N CB 1.032 39.517 38.487 -0.004 0.000 1.130 265 N HN 0.131 nan 8.380 nan 0.000 0.441 266 D N 0.199 120.591 120.400 -0.012 0.000 2.117 266 D HA -0.101 4.564 4.640 0.041 0.000 0.197 266 D C 1.777 178.070 176.300 -0.012 0.000 0.987 266 D CA 1.369 55.357 54.000 -0.020 0.000 0.829 266 D CB -0.774 40.014 40.800 -0.021 0.000 0.961 266 D HN 0.472 nan 8.370 nan 0.000 0.460 267 T N 1.215 115.768 114.554 -0.001 0.000 2.653 267 T HA -0.207 4.168 4.350 0.041 0.000 0.268 267 T C 1.839 176.545 174.700 0.010 0.000 1.035 267 T CA 1.394 63.499 62.100 0.008 0.000 1.154 267 T CB -0.265 68.609 68.868 0.010 0.000 0.862 267 T HN 0.294 nan 8.240 nan 0.000 0.441 268 E N 0.250 120.453 120.200 0.005 0.000 2.072 268 E HA -0.014 4.361 4.350 0.041 0.000 0.191 268 E C 2.244 178.847 176.600 0.005 0.000 0.985 268 E CA 0.625 57.029 56.400 0.006 0.000 0.801 268 E CB -0.217 29.485 29.700 0.003 0.000 0.750 268 E HN 0.367 nan 8.360 nan 0.000 0.452 269 L N 0.760 121.980 121.223 -0.007 0.000 2.046 269 L HA -0.188 4.177 4.340 0.041 0.000 0.208 269 L C 2.202 179.062 176.870 -0.017 0.000 1.077 269 L CA 1.078 55.907 54.840 -0.018 0.000 0.747 269 L CB -0.066 41.971 42.059 -0.036 0.000 0.896 269 L HN 0.125 nan 8.230 nan 0.000 0.432 270 I N -0.375 120.187 120.570 -0.014 0.000 2.163 270 I HA -0.287 3.908 4.170 0.041 0.000 0.240 270 I C 2.756 178.926 176.117 0.088 0.000 1.081 270 I CA 1.152 62.464 61.300 0.020 0.000 1.353 270 I CB -0.622 37.393 38.000 0.025 0.000 1.054 270 I HN 0.313 nan 8.210 nan 0.000 0.407 271 A N -0.088 122.768 122.820 0.060 0.000 1.896 271 A HA -0.384 3.961 4.320 0.041 0.000 0.220 271 A C 2.549 180.168 177.584 0.058 0.000 1.206 271 A CA 2.441 54.512 52.037 0.057 0.000 0.647 271 A CB -1.656 17.365 19.000 0.035 0.000 0.828 271 A HN 0.647 nan 8.150 nan 0.000 0.455 272 c N -0.783 117.843 118.600 0.044 0.000 2.413 272 c HA -0.058 4.536 4.570 0.041 0.000 0.276 272 c C 2.654 176.782 174.090 0.063 0.000 1.248 272 c CA 1.206 57.560 56.329 0.041 0.000 1.742 272 c CB -1.653 40.872 42.510 0.024 0.000 2.017 272 c HN 0.597 nan 8.230 nan 0.000 0.481 273 L N 0.187 121.463 121.223 0.088 0.000 2.083 273 L HA -0.126 4.238 4.340 0.041 0.000 0.209 273 L C 2.937 179.934 176.870 0.212 0.000 1.083 273 L CA 1.611 56.542 54.840 0.152 0.000 0.752 273 L CB -0.599 41.545 42.059 0.142 0.000 0.899 273 L HN 0.345 nan 8.230 nan 0.000 0.433 274 R N -0.593 120.027 120.500 0.200 0.000 2.159 274 R HA -0.149 4.216 4.340 0.041 0.000 0.237 274 R C 2.160 178.483 176.300 0.037 0.000 1.131 274 R CA 1.736 57.886 56.100 0.083 0.000 0.982 274 R CB -0.552 29.782 30.300 0.057 0.000 0.868 274 R HN 0.482 nan 8.270 nan 0.000 0.453 275 T N -1.338 113.244 114.554 0.047 0.000 3.113 275 T HA 0.068 4.442 4.350 0.041 0.000 0.256 275 T C 0.767 175.484 174.700 0.028 0.000 1.131 275 T CA -0.010 62.106 62.100 0.028 0.000 1.074 275 T CB 0.145 69.030 68.868 0.028 0.000 0.944 275 T HN -0.097 nan 8.240 nan 0.000 0.516 276 R N 2.386 122.911 120.500 0.043 0.000 2.357 276 R HA 0.381 4.746 4.340 0.041 0.000 0.296 276 R C -2.806 173.509 176.300 0.025 0.000 1.052 276 R CA -2.517 53.608 56.100 0.043 0.000 0.988 276 R CB 0.198 30.537 30.300 0.064 0.000 1.025 276 R HN 0.218 nan 8.270 nan 0.000 0.469 277 P HA -0.050 nan 4.420 nan 0.000 0.261 277 P C 0.502 177.781 177.300 -0.035 0.000 1.183 277 P CA 0.375 63.460 63.100 -0.025 0.000 0.761 277 P CB 0.570 32.264 31.700 -0.010 0.000 0.785 278 A N 4.101 126.841 122.820 -0.133 0.000 1.935 278 A HA -0.354 3.991 4.320 0.041 0.000 0.224 278 A C 2.135 179.662 177.584 -0.094 0.000 1.324 278 A CA 2.535 54.451 52.037 -0.203 0.000 0.686 278 A CB -1.568 16.780 19.000 -1.087 0.000 0.837 278 A HN 0.557 nan 8.150 nan 0.000 0.481 279 Q N -0.605 119.115 119.800 -0.133 0.000 2.291 279 Q HA -0.138 4.227 4.340 0.041 0.000 0.206 279 Q C 1.227 177.320 176.000 0.154 0.000 0.976 279 Q CA 1.865 57.770 55.803 0.169 0.000 0.875 279 Q CB -0.322 28.544 28.738 0.214 0.000 0.927 279 Q HN 0.703 nan 8.270 nan 0.000 0.450 280 D N -0.816 119.645 120.400 0.101 0.000 2.097 280 D HA -0.123 4.542 4.640 0.041 0.000 0.197 280 D C 1.479 177.862 176.300 0.139 0.000 0.984 280 D CA 0.714 54.782 54.000 0.114 0.000 0.826 280 D CB -0.084 40.778 40.800 0.103 0.000 0.973 280 D HN 0.210 nan 8.370 nan 0.000 0.460 281 L N 0.519 121.806 121.223 0.107 0.000 1.989 281 L HA -0.149 4.216 4.340 0.041 0.000 0.211 281 L C 2.534 179.452 176.870 0.080 0.000 1.071 281 L CA 1.085 55.951 54.840 0.043 0.000 0.749 281 L CB -1.043 40.938 42.059 -0.131 0.000 0.890 281 L HN -0.027 nan 8.230 nan 0.000 0.431 282 V N -0.389 119.633 119.914 0.180 0.000 2.490 282 V HA -0.285 3.859 4.120 0.041 0.000 0.250 282 V C 2.176 178.400 176.094 0.216 0.000 1.061 282 V CA 1.600 64.064 62.300 0.273 0.000 1.064 282 V CB -0.627 31.491 31.823 0.491 0.000 0.670 282 V HN 0.419 nan 8.190 nan 0.000 0.461 283 D N -0.889 119.587 120.400 0.126 0.000 2.190 283 D HA -0.155 4.510 4.640 0.041 0.000 0.200 283 D C 1.788 177.946 176.300 -0.237 0.000 0.992 283 D CA 1.355 55.333 54.000 -0.037 0.000 0.854 283 D CB -0.145 40.554 40.800 -0.167 0.000 0.936 283 D HN 0.523 nan 8.370 nan 0.000 0.462 284 H N -0.725 118.365 119.070 0.032 0.000 2.893 284 H HA 0.144 4.724 4.556 0.041 0.000 0.270 284 H C 1.467 176.761 175.328 -0.057 0.000 1.095 284 H CA -0.103 55.917 56.048 -0.046 0.000 1.186 284 H CB 0.670 30.497 29.762 0.108 0.000 1.562 284 H HN 0.282 nan 8.280 nan 0.000 0.536 285 E N 0.502 120.733 120.200 0.051 0.000 2.097 285 E HA -0.207 4.168 4.350 0.041 0.000 0.196 285 E C 0.799 177.286 176.600 -0.188 0.000 1.000 285 E CA 1.310 57.707 56.400 -0.005 0.000 0.804 285 E CB 0.070 29.685 29.700 -0.141 0.000 0.740 285 E HN 0.427 nan 8.360 nan 0.000 0.454 286 W N -0.878 120.315 121.300 -0.178 0.000 3.256 286 W HA 0.101 4.785 4.660 0.041 0.000 0.269 286 W C 1.015 177.493 176.519 -0.068 0.000 1.310 286 W CA 0.108 57.331 57.345 -0.204 0.000 1.673 286 W CB 0.309 29.591 29.460 -0.296 0.000 1.115 286 W HN 0.205 nan 8.180 nan 0.000 0.686 287 H N -0.755 118.446 119.070 0.218 0.000 2.520 287 H HA 0.056 4.636 4.556 0.041 0.000 0.284 287 H C 1.741 177.115 175.328 0.078 0.000 1.037 287 H CA 0.230 56.374 56.048 0.159 0.000 1.168 287 H CB 0.314 30.198 29.762 0.204 0.000 1.497 287 H HN 0.086 nan 8.280 nan 0.000 0.547 288 V N -1.783 118.197 119.914 0.110 0.000 3.621 288 V HA 0.204 4.348 4.120 0.041 0.000 0.285 288 V C 0.493 176.552 176.094 -0.059 0.000 1.346 288 V CA -0.184 62.118 62.300 0.004 0.000 1.104 288 V CB -0.338 31.447 31.823 -0.064 0.000 0.913 288 V HN 0.127 nan 8.190 nan 0.000 0.432 289 L N 2.469 123.672 121.223 -0.033 0.000 2.416 289 L HA 0.276 4.640 4.340 0.041 0.000 0.272 289 L C -0.344 176.510 176.870 -0.026 0.000 1.161 289 L CA -1.126 53.682 54.840 -0.053 0.000 0.845 289 L CB 0.612 42.655 42.059 -0.027 0.000 1.119 289 L HN 0.110 nan 8.230 nan 0.000 0.464 290 P HA -0.104 nan 4.420 nan 0.000 0.220 290 P C -0.110 177.182 177.300 -0.013 0.000 1.148 290 P CA 1.148 64.233 63.100 -0.026 0.000 0.803 290 P CB 0.420 32.100 31.700 -0.033 0.000 0.782 291 Q N -1.263 118.529 119.800 -0.013 0.000 2.495 291 Q HA 0.349 4.713 4.340 0.041 0.000 0.287 291 Q C -0.506 175.492 176.000 -0.002 0.000 1.078 291 Q CA -0.785 55.014 55.803 -0.006 0.000 0.793 291 Q CB 1.503 30.236 28.738 -0.008 0.000 1.459 291 Q HN -0.046 nan 8.270 nan 0.000 0.422 292 E N 0.612 120.812 120.200 0.001 0.000 2.413 292 E HA 0.352 4.727 4.350 0.041 0.000 0.263 292 E C -0.954 175.639 176.600 -0.012 0.000 1.015 292 E CA 0.226 56.626 56.400 -0.000 0.000 0.916 292 E CB 0.425 30.127 29.700 0.003 0.000 0.947 292 E HN 0.620 nan 8.360 nan 0.000 0.440 293 S N 2.821 118.506 115.700 -0.026 0.000 2.643 293 S HA 0.523 5.018 4.470 0.041 0.000 0.266 293 S C -0.685 173.865 174.600 -0.083 0.000 1.130 293 S CA -0.975 57.198 58.200 -0.045 0.000 0.817 293 S CB 0.325 63.491 63.200 -0.056 0.000 1.107 293 S HN 0.581 nan 8.310 nan 0.000 0.471 294 I N -3.210 117.306 120.570 -0.091 0.000 3.145 294 I HA 0.831 5.025 4.170 0.041 0.000 0.313 294 I C -0.165 175.837 176.117 -0.191 0.000 1.122 294 I CA -1.273 59.922 61.300 -0.175 0.000 0.987 294 I CB 1.166 39.137 38.000 -0.047 0.000 1.236 294 I HN 0.797 nan 8.210 nan 0.000 0.453 295 F N 0.970 120.532 119.950 -0.648 0.000 3.090 295 F HA -0.216 4.336 4.527 0.041 0.000 0.282 295 F C 0.064 175.283 175.800 -0.970 0.000 0.923 295 F CA 0.945 58.523 58.000 -0.705 0.000 0.977 295 F CB -0.751 38.101 39.000 -0.246 0.000 0.954 295 F HN 0.680 nan 8.300 nan 0.000 0.695 296 R N 0.239 120.081 120.500 -1.097 0.000 2.621 296 R HA 0.737 5.102 4.340 0.041 0.000 0.284 296 R C -1.565 174.151 176.300 -0.974 0.000 0.998 296 R CA -0.422 55.190 56.100 -0.814 0.000 0.895 296 R CB 1.182 31.308 30.300 -0.289 0.000 1.195 296 R HN -0.021 nan 8.270 nan 0.000 0.450 297 F N 0.718 120.673 119.950 0.009 0.000 2.581 297 F HA 0.333 4.885 4.527 0.041 0.000 0.311 297 F C 1.013 176.669 175.800 -0.239 0.000 1.113 297 F CA -0.891 57.026 58.000 -0.138 0.000 0.935 297 F CB 2.337 41.370 39.000 0.055 0.000 1.232 297 F HN 0.445 nan 8.300 nan 0.000 0.445 298 S N 0.792 116.294 115.700 -0.330 0.000 2.356 298 S HA -0.036 4.459 4.470 0.041 0.000 0.223 298 S C 0.023 174.149 174.600 -0.791 0.000 1.032 298 S CA 1.216 59.045 58.200 -0.618 0.000 1.005 298 S CB -0.210 62.513 63.200 -0.795 0.000 0.867 298 S HN 0.365 nan 8.310 nan 0.000 0.449 299 F N 1.639 121.563 119.950 -0.045 0.000 2.382 299 F HA 0.570 5.122 4.527 0.041 0.000 0.361 299 F C -0.058 175.728 175.800 -0.023 0.000 1.109 299 F CA -1.001 57.009 58.000 0.016 0.000 1.031 299 F CB 1.375 40.416 39.000 0.069 0.000 1.234 299 F HN -0.096 nan 8.300 nan 0.000 0.445 300 V N 0.899 120.766 119.914 -0.078 0.000 3.160 300 V HA 0.766 4.910 4.120 0.041 0.000 0.310 300 V C -2.908 172.815 176.094 -0.618 0.000 1.181 300 V CA -3.269 58.682 62.300 -0.581 0.000 1.047 300 V CB 2.051 33.725 31.823 -0.248 0.000 1.068 300 V HN 0.258 nan 8.190 nan 0.000 0.441 301 P HA 0.190 nan 4.420 nan 0.000 0.267 301 P C -0.730 176.428 177.300 -0.237 0.000 1.201 301 P CA 0.328 63.145 63.100 -0.471 0.000 0.775 301 P CB 0.632 31.981 31.700 -0.584 0.000 0.854 302 V N 3.858 123.708 119.914 -0.106 0.000 2.628 302 V HA 0.266 4.411 4.120 0.041 0.000 0.306 302 V C -0.519 175.551 176.094 -0.040 0.000 1.045 302 V CA -0.967 61.295 62.300 -0.063 0.000 0.905 302 V CB 2.180 33.994 31.823 -0.015 0.000 0.997 302 V HN 0.140 nan 8.190 nan 0.000 0.436 303 V N 7.197 127.089 119.914 -0.037 0.000 2.381 303 V HA 0.222 4.367 4.120 0.041 0.000 0.257 303 V C 0.675 176.771 176.094 0.003 0.000 1.057 303 V CA 0.399 62.691 62.300 -0.013 0.000 1.013 303 V CB 0.354 32.163 31.823 -0.024 0.000 1.069 303 V HN 1.049 nan 8.190 nan 0.000 0.484 304 D N 2.815 123.231 120.400 0.027 0.000 2.441 304 D HA 0.156 4.820 4.640 0.041 0.000 0.210 304 D C 1.486 177.806 176.300 0.033 0.000 1.102 304 D CA 0.586 54.605 54.000 0.032 0.000 0.840 304 D CB 0.627 41.457 40.800 0.050 0.000 0.990 304 D HN 0.699 nan 8.370 nan 0.000 0.505 305 G N 0.867 109.686 108.800 0.033 0.000 2.189 305 G HA2 -0.355 3.630 3.960 0.041 0.000 0.267 305 G HA3 -0.355 3.630 3.960 0.041 0.000 0.267 305 G C 0.522 175.442 174.900 0.033 0.000 0.975 305 G CA 0.909 46.024 45.100 0.025 0.000 0.644 305 G HN 0.530 nan 8.290 nan 0.000 0.537 306 D N -1.314 119.122 120.400 0.059 0.000 2.949 306 D HA 0.243 4.907 4.640 0.041 0.000 0.247 306 D C 1.866 178.217 176.300 0.085 0.000 1.552 306 D CA 0.404 54.443 54.000 0.066 0.000 1.231 306 D CB -0.537 40.311 40.800 0.081 0.000 0.990 306 D HN 0.087 nan 8.370 nan 0.000 0.270 307 F N 0.972 120.924 119.950 0.003 0.000 2.091 307 F HA 0.076 4.628 4.527 0.041 0.000 0.299 307 F C 0.577 176.371 175.800 -0.010 0.000 1.103 307 F CA 1.283 59.284 58.000 0.001 0.000 1.228 307 F CB 0.102 39.100 39.000 -0.004 0.000 0.984 307 F HN -0.014 nan 8.300 nan 0.000 0.477 308 L N 0.608 121.986 121.223 0.258 0.000 2.295 308 L HA 0.202 4.567 4.340 0.041 0.000 0.281 308 L C 1.347 178.256 176.870 0.064 0.000 1.018 308 L CA -0.152 54.773 54.840 0.142 0.000 0.841 308 L CB 1.403 43.537 42.059 0.126 0.000 1.218 308 L HN 0.055 nan 8.230 nan 0.000 0.424 309 S N 0.540 116.257 115.700 0.028 0.000 2.447 309 S HA -0.031 4.463 4.470 0.041 0.000 0.233 309 S C 0.479 175.084 174.600 0.009 0.000 1.006 309 S CA 0.677 58.884 58.200 0.012 0.000 0.957 309 S CB 0.120 63.317 63.200 -0.005 0.000 0.773 309 S HN 0.728 nan 8.310 nan 0.000 0.507 310 D N -0.150 120.257 120.400 0.011 0.000 2.768 310 D HA 0.291 4.956 4.640 0.041 0.000 0.327 310 D C -0.913 175.387 176.300 0.001 0.000 1.302 310 D CA 0.096 54.098 54.000 0.003 0.000 0.897 310 D CB 1.345 42.145 40.800 0.000 0.000 1.420 310 D HN 0.249 nan 8.370 nan 0.000 0.494 311 T N -0.966 113.583 114.554 -0.009 0.000 2.900 311 T HA 0.265 4.640 4.350 0.041 0.000 0.307 311 T C -1.839 172.851 174.700 -0.016 0.000 1.065 311 T CA -0.755 61.332 62.100 -0.021 0.000 1.105 311 T CB 1.044 69.894 68.868 -0.029 0.000 0.979 311 T HN 0.102 nan 8.240 nan 0.000 0.544 312 P HA -0.055 nan 4.420 nan 0.000 0.218 312 P C 1.317 178.607 177.300 -0.018 0.000 1.148 312 P CA 0.936 64.019 63.100 -0.028 0.000 0.822 312 P CB 0.083 31.738 31.700 -0.075 0.000 0.784 313 E N -0.178 120.003 120.200 -0.032 0.000 2.038 313 E HA -0.159 4.215 4.350 0.041 0.000 0.195 313 E C 2.192 178.796 176.600 0.007 0.000 1.000 313 E CA 1.658 58.047 56.400 -0.018 0.000 0.803 313 E CB -1.179 28.504 29.700 -0.028 0.000 0.750 313 E HN 0.104 nan 8.360 nan 0.000 0.448 314 A N 0.478 123.300 122.820 0.003 0.000 1.940 314 A HA -0.184 4.161 4.320 0.041 0.000 0.219 314 A C 2.172 179.772 177.584 0.027 0.000 1.176 314 A CA 1.346 53.389 52.037 0.010 0.000 0.631 314 A CB -0.681 18.320 19.000 0.001 0.000 0.814 314 A HN 0.212 nan 8.150 nan 0.000 0.446 315 L N -0.218 121.028 121.223 0.039 0.000 2.240 315 L HA -0.050 4.314 4.340 0.041 0.000 0.211 315 L C 2.452 179.414 176.870 0.154 0.000 1.106 315 L CA 1.091 55.973 54.840 0.070 0.000 0.793 315 L CB -0.424 41.677 42.059 0.071 0.000 0.927 315 L HN 0.672 nan 8.230 nan 0.000 0.446 316 I N -3.463 117.196 120.570 0.148 0.000 2.716 316 I HA -0.041 4.153 4.170 0.041 0.000 0.259 316 I C 1.761 178.003 176.117 0.209 0.000 1.172 316 I CA 0.861 62.302 61.300 0.234 0.000 1.478 316 I CB -0.365 37.688 38.000 0.088 0.000 1.104 316 I HN 0.137 nan 8.210 nan 0.000 0.439 317 N N 1.701 120.465 118.700 0.108 0.000 2.309 317 N HA -0.108 4.657 4.740 0.041 0.000 0.182 317 N C 1.792 177.334 175.510 0.052 0.000 1.018 317 N CA 2.089 55.184 53.050 0.075 0.000 0.876 317 N CB -0.220 38.291 38.487 0.041 0.000 0.972 317 N HN 0.694 nan 8.380 nan 0.000 0.434 318 T N -4.172 110.399 114.554 0.029 0.000 2.975 318 T HA 0.294 4.669 4.350 0.041 0.000 0.261 318 T C 1.016 175.642 174.700 -0.124 0.000 0.984 318 T CA -0.185 61.896 62.100 -0.031 0.000 0.911 318 T CB 0.051 68.901 68.868 -0.031 0.000 1.127 318 T HN 0.038 nan 8.240 nan 0.000 0.514 319 G N 1.077 109.768 108.800 -0.183 0.000 2.699 319 G HA2 0.385 4.369 3.960 0.041 0.000 0.246 319 G HA3 0.385 4.369 3.960 0.041 0.000 0.246 319 G C -0.997 173.409 174.900 -0.824 0.000 1.219 319 G CA -0.246 44.504 45.100 -0.583 0.000 0.866 319 G HN 0.400 nan 8.290 nan 0.000 0.572 320 D N -0.772 119.097 120.400 -0.886 0.000 2.471 320 D HA 0.411 5.075 4.640 0.041 0.000 0.245 320 D C -0.609 175.343 176.300 -0.580 0.000 1.116 320 D CA -0.719 52.928 54.000 -0.590 0.000 0.853 320 D CB 0.605 41.240 40.800 -0.275 0.000 1.123 320 D HN 0.088 nan 8.370 nan 0.000 0.540 321 F N 2.381 122.334 119.950 0.005 0.000 2.923 321 F HA 0.228 4.780 4.527 0.041 0.000 0.314 321 F C 1.923 177.729 175.800 0.011 0.000 1.196 321 F CA -0.508 57.498 58.000 0.011 0.000 1.320 321 F CB 0.419 39.434 39.000 0.025 0.000 0.953 321 F HN 0.324 nan 8.300 nan 0.000 0.505 322 Q N 0.219 120.072 119.800 0.089 0.000 2.096 322 Q HA -0.139 4.226 4.340 0.041 0.000 0.204 322 Q C 0.309 176.349 176.000 0.066 0.000 0.982 322 Q CA 1.342 57.182 55.803 0.062 0.000 0.850 322 Q CB -0.041 28.707 28.738 0.016 0.000 0.901 322 Q HN 0.383 nan 8.270 nan 0.000 0.422 323 D N 0.312 120.747 120.400 0.058 0.000 3.071 323 D HA 0.226 4.891 4.640 0.041 0.000 0.259 323 D C -0.730 175.606 176.300 0.060 0.000 1.331 323 D CA -0.059 53.967 54.000 0.044 0.000 0.861 323 D CB -0.007 40.804 40.800 0.017 0.000 1.059 323 D HN -0.010 nan 8.370 nan 0.000 0.486 324 L N 1.092 122.374 121.223 0.098 0.000 2.381 324 L HA 0.347 4.711 4.340 0.041 0.000 0.274 324 L C -1.029 175.917 176.870 0.128 0.000 0.988 324 L CA -0.544 54.366 54.840 0.116 0.000 0.824 324 L CB 1.974 44.130 42.059 0.162 0.000 1.263 324 L HN -0.215 nan 8.230 nan 0.000 0.410 325 Q N 3.305 123.192 119.800 0.144 0.000 2.256 325 Q HA 0.779 5.144 4.340 0.041 0.000 0.257 325 Q C -1.265 174.993 176.000 0.430 0.000 0.936 325 Q CA -0.430 55.517 55.803 0.241 0.000 0.903 325 Q CB 2.449 31.269 28.738 0.137 0.000 1.263 325 Q HN 0.467 nan 8.270 nan 0.000 0.440 326 V N 2.629 122.776 119.914 0.387 0.000 2.760 326 V HA 0.483 4.628 4.120 0.041 0.000 0.309 326 V C -1.500 174.547 176.094 -0.079 0.000 1.077 326 V CA -0.867 61.547 62.300 0.190 0.000 0.910 326 V CB 2.031 33.874 31.823 0.033 0.000 1.008 326 V HN 0.624 nan 8.190 nan 0.000 0.424 327 L N 6.997 127.946 121.223 -0.457 0.000 2.325 327 L HA 0.897 5.262 4.340 0.041 0.000 0.281 327 L C -0.608 176.095 176.870 -0.278 0.000 1.004 327 L CA -0.169 54.310 54.840 -0.602 0.000 0.823 327 L CB 1.688 42.914 42.059 -1.388 0.000 1.236 327 L HN 0.569 nan 8.230 nan 0.000 0.415 328 V N 2.050 121.855 119.914 -0.181 0.000 2.876 328 V HA 1.109 5.254 4.120 0.041 0.000 0.312 328 V C -0.024 175.774 176.094 -0.492 0.000 1.085 328 V CA 0.079 62.251 62.300 -0.214 0.000 0.945 328 V CB 1.032 32.720 31.823 -0.225 0.000 1.017 328 V HN 1.006 nan 8.190 nan 0.000 0.428 329 G N 1.084 109.429 108.800 -0.758 0.000 2.600 329 G HA2 0.828 4.813 3.960 0.041 0.000 0.293 329 G HA3 0.828 4.813 3.960 0.041 0.000 0.293 329 G C -1.180 173.400 174.900 -0.534 0.000 1.408 329 G CA -0.048 44.204 45.100 -1.414 0.000 0.782 329 G HN 1.922 nan 8.290 nan 0.000 0.482 330 V N -2.305 117.458 119.914 -0.252 0.000 3.160 330 V HA 0.919 5.064 4.120 0.041 0.000 0.310 330 V C 0.366 176.640 176.094 0.300 0.000 1.181 330 V CA -0.484 61.857 62.300 0.067 0.000 1.047 330 V CB 1.094 32.929 31.823 0.020 0.000 1.068 330 V HN 1.633 nan 8.190 nan 0.000 0.441 331 V N -0.812 119.287 119.914 0.308 0.000 3.234 331 V HA 0.567 4.711 4.120 0.041 0.000 0.317 331 V C 1.331 177.596 176.094 0.284 0.000 1.081 331 V CA -0.140 62.393 62.300 0.388 0.000 1.037 331 V CB 1.200 33.239 31.823 0.360 0.000 1.148 331 V HN 1.043 nan 8.190 nan 0.000 0.453 332 K N -0.669 119.899 120.400 0.280 0.000 2.283 332 K HA -0.008 4.337 4.320 0.041 0.000 0.202 332 K C 0.153 176.853 176.600 0.167 0.000 1.048 332 K CA 1.457 57.864 56.287 0.200 0.000 0.948 332 K CB 0.114 32.714 32.500 0.166 0.000 0.742 332 K HN 0.874 nan 8.250 nan 0.000 0.458 333 D N 0.883 121.377 120.400 0.157 0.000 2.879 333 D HA 0.023 4.688 4.640 0.041 0.000 0.351 333 D C 0.042 176.400 176.300 0.097 0.000 1.239 333 D CA -0.054 54.018 54.000 0.120 0.000 0.771 333 D CB 1.160 42.010 40.800 0.084 0.000 1.176 333 D HN 0.094 nan 8.370 nan 0.000 0.496 334 E N 0.302 120.585 120.200 0.137 0.000 2.233 334 E HA -0.147 4.227 4.350 0.041 0.000 0.199 334 E C 1.810 178.528 176.600 0.197 0.000 1.004 334 E CA 0.841 57.350 56.400 0.181 0.000 0.819 334 E CB 0.174 29.980 29.700 0.177 0.000 0.738 334 E HN 0.403 nan 8.360 nan 0.000 0.478 335 G N 0.661 109.549 108.800 0.145 0.000 2.986 335 G HA2 -0.086 3.899 3.960 0.041 0.000 0.213 335 G HA3 -0.086 3.899 3.960 0.041 0.000 0.213 335 G C 1.608 176.582 174.900 0.123 0.000 1.156 335 G CA 0.583 45.785 45.100 0.169 0.000 0.763 335 G HN 0.333 nan 8.290 nan 0.000 0.547 336 S N -0.214 115.513 115.700 0.044 0.000 2.368 336 S HA -0.154 4.341 4.470 0.041 0.000 0.224 336 S C 2.069 176.619 174.600 -0.083 0.000 1.029 336 S CA 0.996 59.209 58.200 0.021 0.000 0.988 336 S CB -0.669 62.460 63.200 -0.118 0.000 0.838 336 S HN 0.376 nan 8.310 nan 0.000 0.462 337 Y N 1.146 121.201 120.300 -0.408 0.000 2.128 337 Y HA -0.086 4.488 4.550 0.040 0.000 0.284 337 Y C 1.765 177.520 175.900 -0.241 0.000 1.154 337 Y CA 1.858 59.597 58.100 -0.601 0.000 1.149 337 Y CB -0.375 37.454 38.460 -1.051 0.000 0.976 337 Y HN 0.276 nan 8.280 nan 0.000 0.505 338 F N -0.412 119.650 119.950 0.187 0.000 2.780 338 F HA -0.038 4.513 4.527 0.041 0.000 0.299 338 F C 1.838 177.736 175.800 0.163 0.000 1.146 338 F CA 0.336 58.452 58.000 0.194 0.000 1.428 338 F CB -0.696 38.380 39.000 0.126 0.000 1.115 338 F HN 0.064 nan 8.300 nan 0.000 0.583 339 L N -0.225 121.132 121.223 0.223 0.000 2.013 339 L HA -0.227 4.137 4.340 0.041 0.000 0.212 339 L C 2.553 179.520 176.870 0.162 0.000 1.073 339 L CA 1.585 56.409 54.840 -0.026 0.000 0.753 339 L CB -1.049 40.771 42.059 -0.399 0.000 0.890 339 L HN 0.149 nan 8.230 nan 0.000 0.432 340 V N -3.989 116.122 119.914 0.330 0.000 3.078 340 V HA -0.236 3.909 4.120 0.041 0.000 0.265 340 V C 1.492 177.714 176.094 0.213 0.000 1.122 340 V CA 1.155 63.664 62.300 0.349 0.000 1.141 340 V CB -1.129 30.928 31.823 0.391 0.000 0.735 340 V HN 0.335 nan 8.190 nan 0.000 0.498 341 Y N 1.856 122.276 120.300 0.200 0.000 2.537 341 Y HA 0.612 5.187 4.550 0.040 0.000 0.303 341 Y C 1.679 177.602 175.900 0.037 0.000 1.176 341 Y CA 0.201 58.379 58.100 0.131 0.000 1.273 341 Y CB 0.320 38.907 38.460 0.212 0.000 1.110 341 Y HN 0.460 nan 8.280 nan 0.000 0.518 342 G N -0.996 107.899 108.800 0.157 0.000 3.216 342 G HA2 -0.065 3.919 3.960 0.041 0.000 0.221 342 G HA3 -0.065 3.919 3.960 0.041 0.000 0.221 342 G C -0.975 173.978 174.900 0.089 0.000 0.949 342 G CA -0.544 44.608 45.100 0.088 0.000 0.952 342 G HN -0.021 nan 8.290 nan 0.000 0.657 343 V N 1.931 121.921 119.914 0.127 0.000 2.333 343 V HA 0.421 4.566 4.120 0.041 0.000 0.274 343 V C -1.935 174.325 176.094 0.276 0.000 1.028 343 V CA -1.874 60.519 62.300 0.155 0.000 0.851 343 V CB 1.411 33.261 31.823 0.046 0.000 1.000 343 V HN 0.072 nan 8.190 nan 0.000 0.456 344 P HA 0.229 nan 4.420 nan 0.000 0.261 344 P C 1.010 178.414 177.300 0.174 0.000 1.183 344 P CA 1.328 64.518 63.100 0.150 0.000 0.761 344 P CB 0.588 32.343 31.700 0.091 0.000 0.785 345 G N 1.660 110.508 108.800 0.080 0.000 2.231 345 G HA2 -0.189 3.795 3.960 0.041 0.000 0.206 345 G HA3 -0.189 3.795 3.960 0.041 0.000 0.206 345 G C -0.247 174.473 174.900 -0.301 0.000 0.996 345 G CA -0.645 44.380 45.100 -0.125 0.000 0.645 345 G HN 0.388 nan 8.290 nan 0.000 0.498 346 F N 1.759 121.715 119.950 0.010 0.000 2.436 346 F HA 0.781 5.332 4.527 0.040 0.000 0.340 346 F C 0.551 176.432 175.800 0.136 0.000 1.113 346 F CA -0.151 57.871 58.000 0.037 0.000 1.022 346 F CB 2.287 41.356 39.000 0.115 0.000 1.128 346 F HN 0.221 nan 8.300 nan 0.000 0.466 347 S N 2.133 118.032 115.700 0.331 0.000 2.537 347 S HA 0.301 4.796 4.470 0.041 0.000 0.270 347 S C 0.191 175.053 174.600 0.437 0.000 1.142 347 S CA -0.901 57.501 58.200 0.336 0.000 0.870 347 S CB 1.433 64.739 63.200 0.176 0.000 1.112 347 S HN 0.749 nan 8.310 nan 0.000 0.466 348 K N 1.626 122.206 120.400 0.300 0.000 2.365 348 K HA 0.051 4.396 4.320 0.041 0.000 0.199 348 K C 0.290 176.916 176.600 0.043 0.000 1.045 348 K CA 1.162 57.543 56.287 0.157 0.000 0.962 348 K CB -0.125 32.229 32.500 -0.242 0.000 0.759 348 K HN 0.463 nan 8.250 nan 0.000 0.469 349 D N 1.377 121.789 120.400 0.021 0.000 2.202 349 D HA -0.067 4.597 4.640 0.041 0.000 0.214 349 D C 0.654 176.974 176.300 0.034 0.000 0.967 349 D CA 0.887 54.868 54.000 -0.030 0.000 0.871 349 D CB -0.274 40.490 40.800 -0.059 0.000 1.020 349 D HN 0.427 nan 8.370 nan 0.000 0.474 350 N N 0.423 119.154 118.700 0.051 0.000 2.381 350 N HA 0.029 4.793 4.740 0.041 0.000 0.289 350 N C 0.432 175.977 175.510 0.058 0.000 1.288 350 N CA -0.213 52.851 53.050 0.023 0.000 0.960 350 N CB 0.332 38.798 38.487 -0.034 0.000 1.116 350 N HN -0.170 nan 8.380 nan 0.000 0.557 351 E N -1.453 118.714 120.200 -0.055 0.000 2.463 351 E HA 0.090 4.465 4.350 0.041 0.000 0.193 351 E C -0.573 175.682 176.600 -0.574 0.000 1.041 351 E CA -0.162 56.146 56.400 -0.152 0.000 0.879 351 E CB -0.148 29.508 29.700 -0.072 0.000 0.997 351 E HN 0.582 nan 8.360 nan 0.000 0.478 352 S N 0.415 115.802 115.700 -0.522 0.000 3.549 352 S HA -0.212 4.283 4.470 0.041 0.000 0.366 352 S C 0.273 174.440 174.600 -0.722 0.000 1.012 352 S CA 0.229 57.985 58.200 -0.740 0.000 1.141 352 S CB -1.865 60.658 63.200 -1.128 0.000 0.910 352 S HN 0.336 nan 8.310 nan 0.000 0.471 353 L N 1.647 122.602 121.223 -0.447 0.000 2.600 353 L HA 0.283 4.648 4.340 0.041 0.000 0.278 353 L C 0.917 177.599 176.870 -0.313 0.000 1.139 353 L CA -0.042 54.600 54.840 -0.331 0.000 0.933 353 L CB -0.348 41.583 42.059 -0.215 0.000 1.266 353 L HN 0.468 nan 8.230 nan 0.000 0.471 354 I N 0.171 120.541 120.570 -0.333 0.000 2.797 354 I HA 0.580 4.775 4.170 0.041 0.000 0.310 354 I C 0.776 176.823 176.117 -0.116 0.000 0.990 354 I CA -0.541 60.610 61.300 -0.248 0.000 1.228 354 I CB 1.519 39.361 38.000 -0.263 0.000 1.406 354 I HN 0.546 nan 8.210 nan 0.000 0.534 355 S N 2.391 118.055 115.700 -0.060 0.000 2.669 355 S HA 0.343 4.837 4.470 0.041 0.000 0.270 355 S C 0.971 175.594 174.600 0.039 0.000 1.225 355 S CA -0.460 57.729 58.200 -0.018 0.000 0.991 355 S CB 1.455 64.651 63.200 -0.007 0.000 0.987 355 S HN 0.866 nan 8.310 nan 0.000 0.552 356 R N 0.427 120.949 120.500 0.036 0.000 2.120 356 R HA -0.015 4.350 4.340 0.041 0.000 0.234 356 R C 2.178 178.577 176.300 0.165 0.000 1.123 356 R CA 1.588 57.741 56.100 0.087 0.000 0.975 356 R CB -1.008 29.314 30.300 0.037 0.000 0.866 356 R HN 0.806 nan 8.270 nan 0.000 0.446 357 A N 0.252 123.136 122.820 0.106 0.000 1.929 357 A HA -0.123 4.221 4.320 0.041 0.000 0.216 357 A C 1.996 179.643 177.584 0.105 0.000 1.176 357 A CA 1.102 53.198 52.037 0.098 0.000 0.628 357 A CB -0.354 18.683 19.000 0.061 0.000 0.816 357 A HN 0.468 nan 8.150 nan 0.000 0.444 358 Q N -1.611 118.251 119.800 0.104 0.000 2.135 358 Q HA -0.196 4.169 4.340 0.041 0.000 0.204 358 Q C 1.850 177.957 176.000 0.179 0.000 0.981 358 Q CA 1.724 57.595 55.803 0.114 0.000 0.856 358 Q CB -0.330 28.454 28.738 0.076 0.000 0.902 358 Q HN 0.786 nan 8.270 nan 0.000 0.425 359 F N 0.954 120.946 119.950 0.069 0.000 2.134 359 F HA -0.168 4.387 4.527 0.048 0.000 0.299 359 F C 1.658 177.505 175.800 0.078 0.000 1.097 359 F CA 1.120 59.173 58.000 0.089 0.000 1.264 359 F CB 0.069 39.106 39.000 0.061 0.000 1.001 359 F HN -0.048 nan 8.300 nan 0.000 0.479 360 L N -0.152 121.081 121.223 0.015 0.000 2.109 360 L HA -0.069 4.296 4.340 0.041 0.000 0.207 360 L C 2.741 179.558 176.870 -0.090 0.000 1.086 360 L CA 0.964 55.751 54.840 -0.087 0.000 0.760 360 L CB -1.312 40.780 42.059 0.054 0.000 0.910 360 L HN 0.221 nan 8.230 nan 0.000 0.437 361 A N 0.593 123.400 122.820 -0.022 0.000 1.970 361 A HA 0.017 4.362 4.320 0.041 0.000 0.216 361 A C 2.395 179.966 177.584 -0.022 0.000 1.170 361 A CA 1.231 53.263 52.037 -0.008 0.000 0.645 361 A CB -0.962 18.053 19.000 0.025 0.000 0.816 361 A HN 0.399 nan 8.150 nan 0.000 0.447 362 G N -0.526 108.259 108.800 -0.025 0.000 2.448 362 G HA2 -0.076 3.908 3.960 0.041 0.000 0.219 362 G HA3 -0.076 3.908 3.960 0.041 0.000 0.219 362 G C 1.387 176.222 174.900 -0.109 0.000 1.127 362 G CA 1.250 46.335 45.100 -0.026 0.000 0.766 362 G HN 0.307 nan 8.290 nan 0.000 0.552 363 V N 0.856 120.642 119.914 -0.213 0.000 2.591 363 V HA -0.046 4.099 4.120 0.041 0.000 0.249 363 V C 2.785 178.821 176.094 -0.096 0.000 1.053 363 V CA 1.153 63.328 62.300 -0.209 0.000 1.068 363 V CB -0.276 31.346 31.823 -0.335 0.000 0.689 363 V HN 0.242 nan 8.190 nan 0.000 0.462 364 R N -0.087 120.371 120.500 -0.070 0.000 2.189 364 R HA 0.090 4.455 4.340 0.041 0.000 0.218 364 R C 1.978 178.264 176.300 -0.023 0.000 1.074 364 R CA 1.092 57.172 56.100 -0.033 0.000 0.991 364 R CB -0.533 29.756 30.300 -0.019 0.000 0.883 364 R HN 0.459 nan 8.270 nan 0.000 0.457 365 I N -0.361 120.194 120.570 -0.026 0.000 2.480 365 I HA -0.043 4.152 4.170 0.041 0.000 0.251 365 I C 2.318 178.428 176.117 -0.011 0.000 1.124 365 I CA 1.154 62.446 61.300 -0.014 0.000 1.444 365 I CB -0.370 37.627 38.000 -0.005 0.000 1.098 365 I HN 0.161 nan 8.210 nan 0.000 0.428 366 G N 0.340 109.128 108.800 -0.020 0.000 2.430 366 G HA2 -0.038 3.947 3.960 0.041 0.000 0.216 366 G HA3 -0.038 3.947 3.960 0.041 0.000 0.216 366 G C 0.823 175.728 174.900 0.008 0.000 1.146 366 G CA 0.376 45.476 45.100 -0.000 0.000 0.793 366 G HN 0.219 nan 8.290 nan 0.000 0.537 367 V N 2.235 122.130 119.914 -0.032 0.000 2.271 367 V HA 0.226 4.371 4.120 0.041 0.000 0.259 367 V C -1.470 174.611 176.094 -0.020 0.000 1.030 367 V CA -1.122 61.130 62.300 -0.081 0.000 0.957 367 V CB 1.499 33.262 31.823 -0.101 0.000 1.186 367 V HN 0.099 nan 8.190 nan 0.000 0.471 368 P HA -0.142 nan 4.420 nan 0.000 0.223 368 P C 1.159 178.464 177.300 0.008 0.000 1.151 368 P CA 0.980 64.083 63.100 0.006 0.000 0.787 368 P CB 0.439 32.142 31.700 0.005 0.000 0.788 369 Q N -0.264 119.549 119.800 0.021 0.000 2.360 369 Q HA 0.190 4.555 4.340 0.041 0.000 0.202 369 Q C 0.464 176.469 176.000 0.007 0.000 0.915 369 Q CA -0.056 55.757 55.803 0.017 0.000 0.943 369 Q CB -0.442 28.317 28.738 0.034 0.000 1.064 369 Q HN 0.011 nan 8.270 nan 0.000 0.511 370 A N 2.130 124.950 122.820 0.001 0.000 2.409 370 A HA 0.412 4.756 4.320 0.041 0.000 0.267 370 A C 0.501 178.083 177.584 -0.003 0.000 1.127 370 A CA 0.057 52.092 52.037 -0.004 0.000 0.795 370 A CB 0.253 19.253 19.000 -0.001 0.000 1.061 370 A HN 0.506 nan 8.150 nan 0.000 0.502 371 S N 2.040 117.735 115.700 -0.008 0.000 2.596 371 S HA 0.082 4.577 4.470 0.041 0.000 0.260 371 S C 0.560 175.165 174.600 0.007 0.000 1.336 371 S CA 0.493 58.691 58.200 -0.004 0.000 0.993 371 S CB 0.401 63.594 63.200 -0.012 0.000 0.923 371 S HN 0.648 nan 8.310 nan 0.000 0.567 372 D N 0.138 120.546 120.400 0.012 0.000 2.133 372 D HA -0.132 4.532 4.640 0.041 0.000 0.192 372 D C 1.715 178.037 176.300 0.037 0.000 1.001 372 D CA 1.541 55.555 54.000 0.023 0.000 0.844 372 D CB -0.265 40.548 40.800 0.023 0.000 0.944 372 D HN 0.448 nan 8.370 nan 0.000 0.447 373 L N 0.369 121.612 121.223 0.033 0.000 2.017 373 L HA -0.040 4.324 4.340 0.041 0.000 0.208 373 L C 2.030 178.939 176.870 0.066 0.000 1.073 373 L CA 1.874 56.744 54.840 0.049 0.000 0.745 373 L CB -0.905 41.175 42.059 0.035 0.000 0.894 373 L HN 0.035 nan 8.230 nan 0.000 0.432 374 A N -0.496 122.343 122.820 0.032 0.000 1.902 374 A HA -0.117 4.228 4.320 0.041 0.000 0.217 374 A C 2.470 180.098 177.584 0.073 0.000 1.181 374 A CA 1.875 53.930 52.037 0.029 0.000 0.623 374 A CB -1.222 17.759 19.000 -0.032 0.000 0.818 374 A HN 0.577 nan 8.150 nan 0.000 0.443 375 A N -0.316 122.537 122.820 0.055 0.000 1.892 375 A HA -0.234 4.111 4.320 0.041 0.000 0.218 375 A C 2.000 179.642 177.584 0.098 0.000 1.188 375 A CA 2.329 54.401 52.037 0.058 0.000 0.631 375 A CB -0.526 18.493 19.000 0.031 0.000 0.822 375 A HN 0.539 nan 8.150 nan 0.000 0.447 376 E N -0.224 120.041 120.200 0.109 0.000 2.152 376 E HA 0.059 4.433 4.350 0.041 0.000 0.192 376 E C 2.011 178.723 176.600 0.187 0.000 0.983 376 E CA 1.212 57.697 56.400 0.141 0.000 0.818 376 E CB -0.423 29.349 29.700 0.120 0.000 0.758 376 E HN 0.480 nan 8.360 nan 0.000 0.467 377 A N 0.013 122.956 122.820 0.206 0.000 1.908 377 A HA -0.178 4.167 4.320 0.041 0.000 0.218 377 A C 2.438 180.176 177.584 0.258 0.000 1.181 377 A CA 1.763 53.965 52.037 0.276 0.000 0.627 377 A CB -0.823 18.434 19.000 0.428 0.000 0.818 377 A HN 0.198 nan 8.150 nan 0.000 0.445 378 V N -0.510 119.580 119.914 0.294 0.000 2.270 378 V HA -0.227 3.917 4.120 0.041 0.000 0.245 378 V C 2.579 178.901 176.094 0.380 0.000 1.043 378 V CA 1.925 64.414 62.300 0.315 0.000 1.014 378 V CB -0.853 31.128 31.823 0.262 0.000 0.645 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.064 120.029 119.914 0.298 0.000 2.282 379 V HA -0.300 3.845 4.120 0.041 0.000 0.249 379 V C 2.309 178.659 176.094 0.427 0.000 1.057 379 V CA 2.196 64.741 62.300 0.408 0.000 1.032 379 V CB -0.565 31.450 31.823 0.319 0.000 0.645 379 V HN 0.454 nan 8.190 nan 0.000 0.447 380 L N -0.939 120.506 121.223 0.370 0.000 2.141 380 L HA -0.167 4.197 4.340 0.041 0.000 0.209 380 L C 2.513 179.602 176.870 0.365 0.000 1.094 380 L CA 1.717 56.828 54.840 0.451 0.000 0.763 380 L CB -0.710 41.529 42.059 0.301 0.000 0.908 380 L HN 0.461 nan 8.230 nan 0.000 0.437 381 H N -0.872 118.226 119.070 0.047 0.000 2.363 381 H HA -0.166 4.417 4.556 0.044 0.000 0.301 381 H C 1.751 176.976 175.328 -0.170 0.000 1.074 381 H CA 1.850 57.764 56.048 -0.224 0.000 1.354 381 H CB 0.079 29.388 29.762 -0.754 0.000 1.397 381 H HN 0.226 nan 8.280 nan 0.000 0.516 382 Y N -0.240 120.103 120.300 0.071 0.000 2.510 382 Y HA 0.143 4.716 4.550 0.040 0.000 0.273 382 Y C 0.756 176.592 175.900 -0.107 0.000 1.119 382 Y CA 0.306 58.445 58.100 0.064 0.000 1.286 382 Y CB 0.356 39.013 38.460 0.327 0.000 1.061 382 Y HN 0.019 nan 8.280 nan 0.000 0.542 383 T N 1.691 116.184 114.554 -0.102 0.000 2.902 383 T HA -0.082 4.293 4.350 0.041 0.000 0.301 383 T C -0.191 174.111 174.700 -0.664 0.000 1.012 383 T CA -0.134 61.615 62.100 -0.585 0.000 1.151 383 T CB 0.212 68.435 68.868 -1.076 0.000 0.946 383 T HN 0.076 nan 8.240 nan 0.000 0.542 384 D N 2.050 122.104 120.400 -0.576 0.000 2.352 384 D HA 0.063 4.727 4.640 0.041 0.000 0.245 384 D C 0.129 176.111 176.300 -0.529 0.000 1.224 384 D CA -0.579 53.138 54.000 -0.470 0.000 0.879 384 D CB 0.405 40.923 40.800 -0.470 0.000 1.057 384 D HN 0.613 nan 8.370 nan 0.000 0.491 385 W N 3.100 124.289 121.300 -0.185 0.000 2.699 385 W HA 0.020 4.703 4.660 0.038 0.000 0.249 385 W C 2.047 178.442 176.519 -0.206 0.000 1.280 385 W CA -0.242 57.007 57.345 -0.160 0.000 1.345 385 W CB -0.039 29.345 29.460 -0.126 0.000 1.128 385 W HN 0.436 nan 8.180 nan 0.000 0.642 386 L N -1.120 119.988 121.223 -0.193 0.000 2.217 386 L HA -0.096 4.268 4.340 0.041 0.000 0.211 386 L C 0.173 176.665 176.870 -0.630 0.000 1.107 386 L CA 1.260 55.834 54.840 -0.442 0.000 0.783 386 L CB -0.271 41.380 42.059 -0.680 0.000 0.919 386 L HN 0.045 nan 8.230 nan 0.000 0.442 387 H N -2.411 116.565 119.070 -0.156 0.000 2.597 387 H HA 0.149 4.713 4.556 0.013 0.000 0.225 387 H C -1.847 173.348 175.328 -0.221 0.000 1.422 387 H CA -1.227 54.734 56.048 -0.146 0.000 1.335 387 H CB 0.173 29.860 29.762 -0.125 0.000 1.783 387 H HN -0.079 nan 8.280 nan 0.000 0.513 388 P HA -0.178 nan 4.420 nan 0.000 0.221 388 P C 0.544 177.701 177.300 -0.238 0.000 1.145 388 P CA 1.353 64.254 63.100 -0.331 0.000 0.795 388 P CB 0.613 32.188 31.700 -0.208 0.000 0.775 389 E N -1.204 118.934 120.200 -0.104 0.000 2.601 389 E HA 0.037 4.411 4.350 0.041 0.000 0.219 389 E C -0.015 176.555 176.600 -0.050 0.000 0.964 389 E CA -0.310 56.044 56.400 -0.076 0.000 1.050 389 E CB 0.126 29.805 29.700 -0.035 0.000 1.068 389 E HN 0.139 nan 8.360 nan 0.000 0.496 390 D N 2.330 122.724 120.400 -0.011 0.000 2.472 390 D HA -0.033 4.632 4.640 0.041 0.000 0.248 390 D C -1.660 174.613 176.300 -0.044 0.000 1.174 390 D CA -1.396 52.604 54.000 0.000 0.000 0.883 390 D CB 1.215 42.069 40.800 0.090 0.000 1.149 390 D HN -0.140 nan 8.370 nan 0.000 0.488 391 P HA -0.083 nan 4.420 nan 0.000 0.219 391 P C 1.163 178.386 177.300 -0.128 0.000 1.150 391 P CA 0.956 63.991 63.100 -0.108 0.000 0.814 391 P CB 0.179 31.807 31.700 -0.121 0.000 0.787 392 T N -1.444 113.025 114.554 -0.142 0.000 2.674 392 T HA -0.182 4.193 4.350 0.041 0.000 0.265 392 T C 1.539 176.157 174.700 -0.137 0.000 1.039 392 T CA 1.595 63.593 62.100 -0.170 0.000 1.150 392 T CB -1.144 67.581 68.868 -0.238 0.000 0.864 392 T HN 0.286 nan 8.240 nan 0.000 0.427 393 H N 0.591 119.609 119.070 -0.087 0.000 2.319 393 H HA 0.037 4.608 4.556 0.026 0.000 0.299 393 H C 2.238 177.498 175.328 -0.113 0.000 1.092 393 H CA 1.258 57.258 56.048 -0.081 0.000 1.302 393 H CB -0.301 29.402 29.762 -0.097 0.000 1.373 393 H HN 0.166 nan 8.280 nan 0.000 0.497 394 L N 0.233 121.418 121.223 -0.064 0.000 2.079 394 L HA -0.200 4.164 4.340 0.041 0.000 0.210 394 L C 2.778 179.674 176.870 0.043 0.000 1.081 394 L CA 1.063 55.785 54.840 -0.197 0.000 0.752 394 L CB -0.315 41.613 42.059 -0.219 0.000 0.896 394 L HN 0.291 nan 8.230 nan 0.000 0.433 395 R N 0.466 120.990 120.500 0.039 0.000 2.075 395 R HA -0.158 4.206 4.340 0.041 0.000 0.232 395 R C 1.590 178.042 176.300 0.254 0.000 1.126 395 R CA 1.871 58.046 56.100 0.126 0.000 0.963 395 R CB -0.393 29.811 30.300 -0.159 0.000 0.858 395 R HN 0.333 nan 8.270 nan 0.000 0.435 396 D N 0.612 121.117 120.400 0.176 0.000 2.178 396 D HA -0.076 4.589 4.640 0.041 0.000 0.202 396 D C 1.708 178.163 176.300 0.258 0.000 0.974 396 D CA 1.396 55.532 54.000 0.226 0.000 0.841 396 D CB -0.143 40.759 40.800 0.170 0.000 0.953 396 D HN 0.362 nan 8.370 nan 0.000 0.478 397 A N 0.622 123.590 122.820 0.247 0.000 1.930 397 A HA -0.138 4.207 4.320 0.041 0.000 0.217 397 A C 2.105 179.901 177.584 0.352 0.000 1.175 397 A CA 1.216 53.447 52.037 0.324 0.000 0.627 397 A CB -0.401 18.740 19.000 0.235 0.000 0.815 397 A HN 0.097 nan 8.150 nan 0.000 0.443 398 M N 0.270 120.127 119.600 0.429 0.000 2.065 398 M HA -0.134 4.371 4.480 0.041 0.000 0.259 398 M C 2.364 178.750 176.300 0.142 0.000 1.069 398 M CA 2.223 57.712 55.300 0.315 0.000 1.110 398 M CB -0.832 32.005 32.600 0.396 0.000 1.328 398 M HN 0.450 nan 8.290 nan 0.000 0.405 399 S N -0.308 115.509 115.700 0.195 0.000 2.359 399 S HA -0.184 4.311 4.470 0.041 0.000 0.223 399 S C 2.078 176.770 174.600 0.153 0.000 1.039 399 S CA 2.110 60.417 58.200 0.179 0.000 1.042 399 S CB -0.780 62.585 63.200 0.275 0.000 0.915 399 S HN 0.627 nan 8.310 nan 0.000 0.439 400 A N 0.742 123.679 122.820 0.194 0.000 1.940 400 A HA -0.006 4.339 4.320 0.041 0.000 0.219 400 A C 2.398 180.050 177.584 0.113 0.000 1.176 400 A CA 1.816 53.989 52.037 0.226 0.000 0.631 400 A CB -1.135 18.099 19.000 0.390 0.000 0.814 400 A HN 0.488 nan 8.150 nan 0.000 0.446 401 V N -0.354 119.484 119.914 -0.126 0.000 2.255 401 V HA -0.276 3.869 4.120 0.041 0.000 0.247 401 V C 2.603 178.647 176.094 -0.084 0.000 1.051 401 V CA 2.233 64.375 62.300 -0.263 0.000 1.018 401 V CB -0.853 30.806 31.823 -0.273 0.000 0.641 401 V HN 0.397 nan 8.190 nan 0.000 0.445 402 V N 0.704 120.595 119.914 -0.038 0.000 2.295 402 V HA -0.190 3.955 4.120 0.041 0.000 0.246 402 V C 2.612 178.644 176.094 -0.105 0.000 1.049 402 V CA 2.268 64.550 62.300 -0.030 0.000 1.024 402 V CB -1.477 30.391 31.823 0.075 0.000 0.648 402 V HN 0.621 nan 8.190 nan 0.000 0.447 403 G N -0.417 108.378 108.800 -0.009 0.000 2.402 403 G HA2 -0.227 3.757 3.960 0.041 0.000 0.216 403 G HA3 -0.227 3.757 3.960 0.041 0.000 0.216 403 G C 1.234 176.081 174.900 -0.089 0.000 1.162 403 G CA 0.998 46.092 45.100 -0.010 0.000 0.777 403 G HN 0.498 nan 8.290 nan 0.000 0.539 404 D N -0.105 120.269 120.400 -0.044 0.000 2.084 404 D HA -0.106 4.558 4.640 0.041 0.000 0.194 404 D C 2.112 178.141 176.300 -0.451 0.000 0.990 404 D CA 1.427 55.378 54.000 -0.080 0.000 0.826 404 D CB -0.548 40.398 40.800 0.244 0.000 0.971 404 D HN 0.423 nan 8.370 nan 0.000 0.453 405 H N 0.786 119.314 119.070 -0.902 0.000 2.353 405 H HA 0.014 4.594 4.556 0.041 0.000 0.300 405 H C 1.560 176.512 175.328 -0.627 0.000 1.090 405 H CA 1.745 57.020 56.048 -1.287 0.000 1.327 405 H CB 0.020 28.957 29.762 -1.374 0.000 1.383 405 H HN 0.001 nan 8.280 nan 0.000 0.508 406 N N -0.762 117.537 118.700 -0.668 0.000 2.336 406 N HA -0.018 4.746 4.740 0.041 0.000 0.177 406 N C 1.464 176.802 175.510 -0.286 0.000 1.018 406 N CA 1.258 53.908 53.050 -0.668 0.000 0.878 406 N CB 0.745 38.348 38.487 -1.473 0.000 0.997 406 N HN 0.280 nan 8.380 nan 0.000 0.433 407 V N -0.183 119.584 119.914 -0.245 0.000 2.950 407 V HA 0.058 4.203 4.120 0.041 0.000 0.231 407 V C 2.243 178.303 176.094 -0.056 0.000 1.205 407 V CA 0.288 62.557 62.300 -0.051 0.000 1.239 407 V CB -0.106 31.734 31.823 0.028 0.000 1.050 407 V HN -0.140 nan 8.190 nan 0.000 0.498 408 V N 0.047 119.926 119.914 -0.058 0.000 2.261 408 V HA -0.278 3.867 4.120 0.041 0.000 0.246 408 V C 2.560 178.629 176.094 -0.041 0.000 1.047 408 V CA 2.525 64.804 62.300 -0.035 0.000 1.015 408 V CB -0.807 31.026 31.823 0.016 0.000 0.642 408 V HN 0.647 nan 8.190 nan 0.000 0.446 409 c N -0.178 118.397 118.600 -0.041 0.000 2.446 409 c HA -0.030 4.564 4.570 0.041 0.000 0.277 409 c C 0.610 174.679 174.090 -0.035 0.000 1.275 409 c CA 1.046 57.379 56.329 0.006 0.000 1.727 409 c CB -1.984 40.568 42.510 0.069 0.000 2.010 409 c HN 0.457 nan 8.230 nan 0.000 0.486 410 P HA -0.077 nan 4.420 nan 0.000 0.216 410 P C 1.751 178.996 177.300 -0.091 0.000 1.150 410 P CA 1.367 64.407 63.100 -0.098 0.000 0.837 410 P CB -0.159 31.461 31.700 -0.133 0.000 0.786 411 V N 0.113 119.972 119.914 -0.093 0.000 2.307 411 V HA -0.248 3.896 4.120 0.041 0.000 0.245 411 V C 2.469 178.467 176.094 -0.159 0.000 1.045 411 V CA 2.219 64.443 62.300 -0.127 0.000 1.024 411 V CB -1.718 30.021 31.823 -0.139 0.000 0.651 411 V HN 0.097 nan 8.190 nan 0.000 0.449 412 A N -0.622 122.124 122.820 -0.122 0.000 1.908 412 A HA -0.354 3.990 4.320 0.041 0.000 0.218 412 A C 2.256 179.812 177.584 -0.046 0.000 1.181 412 A CA 2.429 54.409 52.037 -0.096 0.000 0.627 412 A CB -0.612 18.388 19.000 0.001 0.000 0.818 412 A HN 0.635 nan 8.150 nan 0.000 0.445 413 Q N -0.919 118.867 119.800 -0.023 0.000 2.020 413 Q HA -0.196 4.169 4.340 0.041 0.000 0.202 413 Q C 2.037 178.018 176.000 -0.032 0.000 0.982 413 Q CA 1.841 57.642 55.803 -0.003 0.000 0.838 413 Q CB -0.301 28.435 28.738 -0.003 0.000 0.899 413 Q HN 0.538 nan 8.270 nan 0.000 0.423 414 L N 0.720 121.894 121.223 -0.080 0.000 2.012 414 L HA -0.167 4.197 4.340 0.041 0.000 0.210 414 L C 2.299 179.095 176.870 -0.122 0.000 1.073 414 L CA 2.341 57.117 54.840 -0.107 0.000 0.748 414 L CB -0.878 41.099 42.059 -0.137 0.000 0.891 414 L HN 0.320 nan 8.230 nan 0.000 0.431 415 A N -0.529 122.179 122.820 -0.186 0.000 1.883 415 A HA -0.144 4.200 4.320 0.041 0.000 0.217 415 A C 2.358 179.932 177.584 -0.018 0.000 1.186 415 A CA 1.864 53.741 52.037 -0.268 0.000 0.624 415 A CB -1.724 16.839 19.000 -0.730 0.000 0.822 415 A HN 0.558 nan 8.150 nan 0.000 0.444 416 G N -0.497 108.359 108.800 0.094 0.000 2.459 416 G HA2 -0.258 3.727 3.960 0.041 0.000 0.217 416 G HA3 -0.258 3.727 3.960 0.041 0.000 0.217 416 G C 1.677 176.655 174.900 0.130 0.000 1.183 416 G CA 1.012 46.243 45.100 0.218 0.000 0.776 416 G HN 0.422 nan 8.290 nan 0.000 0.552 417 R N 0.368 120.914 120.500 0.077 0.000 2.070 417 R HA 0.059 4.424 4.340 0.041 0.000 0.233 417 R C 2.720 179.091 176.300 0.119 0.000 1.137 417 R CA 0.712 56.868 56.100 0.093 0.000 0.945 417 R CB -1.413 28.936 30.300 0.081 0.000 0.845 417 R HN 0.415 nan 8.270 nan 0.000 0.430 418 L N 0.431 121.669 121.223 0.024 0.000 2.043 418 L HA -0.196 4.169 4.340 0.041 0.000 0.212 418 L C 2.616 179.546 176.870 0.101 0.000 1.075 418 L CA 1.626 56.453 54.840 -0.021 0.000 0.752 418 L CB -0.719 41.222 42.059 -0.196 0.000 0.891 418 L HN 0.197 nan 8.230 nan 0.000 0.432 419 A N -0.096 122.785 122.820 0.102 0.000 1.873 419 A HA -0.135 4.209 4.320 0.041 0.000 0.215 419 A C 2.552 180.198 177.584 0.104 0.000 1.186 419 A CA 1.619 53.725 52.037 0.115 0.000 0.616 419 A CB -0.734 18.369 19.000 0.171 0.000 0.823 419 A HN 0.399 nan 8.150 nan 0.000 0.442 420 A N -0.842 122.043 122.820 0.109 0.000 1.908 420 A HA -0.210 4.134 4.320 0.041 0.000 0.218 420 A C 1.897 179.540 177.584 0.098 0.000 1.181 420 A CA 1.784 53.874 52.037 0.089 0.000 0.627 420 A CB -0.448 18.604 19.000 0.086 0.000 0.818 420 A HN 0.605 nan 8.150 nan 0.000 0.445 421 Q N -1.620 118.272 119.800 0.153 0.000 2.225 421 Q HA 0.380 4.744 4.340 0.041 0.000 0.222 421 Q C 0.888 176.987 176.000 0.165 0.000 0.887 421 Q CA 0.469 56.365 55.803 0.156 0.000 0.958 421 Q CB 0.166 29.023 28.738 0.198 0.000 1.058 421 Q HN 0.855 nan 8.270 nan 0.000 0.459 422 G N -0.665 108.215 108.800 0.133 0.000 2.176 422 G HA2 -0.281 3.704 3.960 0.041 0.000 0.232 422 G HA3 -0.281 3.704 3.960 0.041 0.000 0.232 422 G C 0.305 175.278 174.900 0.121 0.000 0.986 422 G CA -0.179 44.983 45.100 0.102 0.000 0.643 422 G HN 0.556 nan 8.290 nan 0.000 0.522 423 A N 0.109 123.028 122.820 0.164 0.000 2.366 423 A HA 0.679 5.023 4.320 0.041 0.000 0.249 423 A C 0.772 178.398 177.584 0.070 0.000 1.084 423 A CA 0.645 52.759 52.037 0.128 0.000 0.794 423 A CB 0.296 19.354 19.000 0.097 0.000 1.034 423 A HN 0.962 nan 8.150 nan 0.000 0.491 424 R N 1.565 122.104 120.500 0.065 0.000 2.207 424 R HA 0.512 4.877 4.340 0.041 0.000 0.334 424 R C -1.657 174.640 176.300 -0.005 0.000 1.013 424 R CA -0.214 55.893 56.100 0.012 0.000 0.858 424 R CB 0.486 30.819 30.300 0.055 0.000 1.094 424 R HN 0.429 nan 8.270 nan 0.000 0.457 425 V N 5.768 125.608 119.914 -0.125 0.000 2.555 425 V HA 0.416 4.561 4.120 0.041 0.000 0.302 425 V C -1.087 174.816 176.094 -0.318 0.000 1.038 425 V CA -0.752 61.490 62.300 -0.097 0.000 0.887 425 V CB 1.486 33.309 31.823 -0.001 0.000 0.991 425 V HN 0.650 nan 8.190 nan 0.000 0.434 426 Y N 2.128 122.363 120.300 -0.109 0.000 2.429 426 Y HA 0.811 5.386 4.550 0.041 0.000 0.342 426 Y C 0.345 176.254 175.900 0.015 0.000 1.004 426 Y CA -0.568 57.437 58.100 -0.158 0.000 1.075 426 Y CB 2.160 40.179 38.460 -0.736 0.000 1.214 426 Y HN 0.763 nan 8.280 nan 0.000 0.455 427 A N 2.716 125.843 122.820 0.512 0.000 2.413 427 A HA 0.887 5.232 4.320 0.041 0.000 0.307 427 A C -1.946 176.043 177.584 0.676 0.000 1.087 427 A CA -0.729 51.525 52.037 0.362 0.000 0.750 427 A CB 1.293 20.350 19.000 0.094 0.000 1.296 427 A HN 0.757 nan 8.150 nan 0.000 0.423 428 Y N -0.759 119.793 120.300 0.421 0.000 2.571 428 Y HA 0.784 5.358 4.550 0.040 0.000 0.341 428 Y C -1.357 174.709 175.900 0.278 0.000 1.076 428 Y CA -1.595 56.720 58.100 0.359 0.000 1.029 428 Y CB 1.098 39.792 38.460 0.389 0.000 1.308 428 Y HN 0.739 nan 8.280 nan 0.000 0.461 429 I N 3.681 124.572 120.570 0.535 0.000 2.509 429 I HA 0.535 4.729 4.170 0.041 0.000 0.293 429 I C -1.818 174.640 176.117 0.569 0.000 1.020 429 I CA -1.127 60.453 61.300 0.468 0.000 1.088 429 I CB 1.376 39.561 38.000 0.307 0.000 1.267 429 I HN 0.749 nan 8.210 nan 0.000 0.430 430 F N 6.899 127.110 119.950 0.436 0.000 2.427 430 F HA 0.438 4.990 4.527 0.042 0.000 0.346 430 F C 0.408 176.352 175.800 0.240 0.000 1.120 430 F CA -0.015 58.183 58.000 0.331 0.000 1.033 430 F CB 1.138 40.342 39.000 0.341 0.000 1.126 430 F HN 0.546 nan 8.300 nan 0.000 0.462 431 E N 2.618 122.673 120.200 -0.242 0.000 2.641 431 E HA -0.028 4.347 4.350 0.041 0.000 0.224 431 E C -0.785 175.697 176.600 -0.197 0.000 0.951 431 E CA -0.162 56.181 56.400 -0.095 0.000 1.102 431 E CB 0.329 30.006 29.700 -0.039 0.000 1.091 431 E HN 0.511 nan 8.360 nan 0.000 0.507 432 H N 1.926 120.627 119.070 -0.615 0.000 2.723 432 H HA 0.207 4.787 4.556 0.041 0.000 0.294 432 H C -0.334 174.943 175.328 -0.085 0.000 1.079 432 H CA -0.276 55.501 56.048 -0.452 0.000 1.411 432 H CB 0.339 29.664 29.762 -0.728 0.000 1.439 432 H HN -0.162 nan 8.280 nan 0.000 0.474 433 R N 4.135 124.312 120.500 -0.539 0.000 2.248 433 R HA 0.402 4.767 4.340 0.041 0.000 0.328 433 R C -0.385 175.589 176.300 -0.543 0.000 1.067 433 R CA -0.376 55.530 56.100 -0.323 0.000 0.924 433 R CB 0.183 30.395 30.300 -0.147 0.000 1.013 433 R HN 0.826 nan 8.270 nan 0.000 0.454 434 A N 3.209 126.018 122.820 -0.018 0.000 2.540 434 A HA 0.013 4.357 4.320 0.041 0.000 0.239 434 A C 1.325 179.038 177.584 0.215 0.000 1.061 434 A CA 0.408 52.679 52.037 0.390 0.000 0.758 434 A CB 0.343 19.765 19.000 0.704 0.000 0.991 434 A HN 1.029 nan 8.150 nan 0.000 0.502 435 S N 1.738 117.621 115.700 0.305 0.000 2.383 435 S HA -0.204 4.291 4.470 0.041 0.000 0.229 435 S C 1.600 176.245 174.600 0.075 0.000 1.030 435 S CA 1.790 60.091 58.200 0.169 0.000 1.002 435 S CB -1.206 62.112 63.200 0.196 0.000 0.829 435 S HN 1.273 nan 8.310 nan 0.000 0.467 436 T N -0.190 114.390 114.554 0.043 0.000 3.155 436 T HA 0.180 4.555 4.350 0.041 0.000 0.264 436 T C 0.526 175.199 174.700 -0.045 0.000 1.160 436 T CA -0.209 61.844 62.100 -0.078 0.000 1.075 436 T CB -0.689 68.019 68.868 -0.266 0.000 0.921 436 T HN 0.203 nan 8.240 nan 0.000 0.533 437 L N 3.986 125.216 121.223 0.012 0.000 2.499 437 L HA 0.250 4.614 4.340 0.041 0.000 0.273 437 L C 1.454 178.297 176.870 -0.045 0.000 1.195 437 L CA 0.633 55.462 54.840 -0.018 0.000 0.882 437 L CB 0.732 42.779 42.059 -0.020 0.000 1.133 437 L HN 0.446 nan 8.230 nan 0.000 0.483 438 T N -0.374 114.119 114.554 -0.100 0.000 3.069 438 T HA 0.123 4.497 4.350 0.041 0.000 0.252 438 T C 0.309 175.010 174.700 0.001 0.000 1.053 438 T CA -0.455 61.592 62.100 -0.089 0.000 0.964 438 T CB -0.315 68.428 68.868 -0.209 0.000 1.005 438 T HN 0.404 nan 8.240 nan 0.000 0.532 439 W N 3.369 124.672 121.300 0.005 0.000 2.237 439 W HA 0.452 5.136 4.660 0.040 0.000 0.335 439 W C -1.985 174.437 176.519 -0.162 0.000 1.230 439 W CA -2.277 55.037 57.345 -0.051 0.000 1.253 439 W CB 0.214 29.558 29.460 -0.194 0.000 1.129 439 W HN -0.052 nan 8.180 nan 0.000 0.590 440 P HA -0.031 nan 4.420 nan 0.000 0.271 440 P C 0.362 177.582 177.300 -0.133 0.000 1.233 440 P CA 0.061 63.127 63.100 -0.057 0.000 0.789 440 P CB 0.832 32.515 31.700 -0.028 0.000 0.951 441 L N 0.056 121.265 121.223 -0.024 0.000 2.131 441 L HA -0.096 4.269 4.340 0.041 0.000 0.210 441 L C 2.533 179.414 176.870 0.018 0.000 1.092 441 L CA 1.493 56.331 54.840 -0.002 0.000 0.759 441 L CB -1.351 40.736 42.059 0.047 0.000 0.903 441 L HN 0.607 nan 8.230 nan 0.000 0.435 442 W N -0.948 120.383 121.300 0.051 0.000 2.468 442 W HA -0.146 4.538 4.660 0.039 0.000 0.262 442 W C 1.586 178.149 176.519 0.074 0.000 1.241 442 W CA 0.610 57.990 57.345 0.057 0.000 1.232 442 W CB -0.741 28.754 29.460 0.058 0.000 1.124 442 W HN 0.224 nan 8.180 nan 0.000 0.597 443 M N 1.150 120.346 119.600 -0.674 0.000 2.558 443 M HA 0.154 4.659 4.480 0.041 0.000 0.255 443 M C 1.843 178.003 176.300 -0.234 0.000 1.113 443 M CA 1.262 56.162 55.300 -0.666 0.000 1.097 443 M CB -0.465 31.571 32.600 -0.940 0.000 1.426 443 M HN 0.181 nan 8.290 nan 0.000 0.488 444 G N 0.949 109.678 108.800 -0.119 0.000 2.596 444 G HA2 -0.291 3.694 3.960 0.041 0.000 0.304 444 G HA3 -0.291 3.694 3.960 0.041 0.000 0.304 444 G C -0.081 174.805 174.900 -0.023 0.000 1.189 444 G CA -0.048 45.038 45.100 -0.023 0.000 0.986 444 G HN 0.252 nan 8.290 nan 0.000 0.548 445 V N 3.675 123.615 119.914 0.043 0.000 2.293 445 V HA 0.505 4.649 4.120 0.041 0.000 0.275 445 V C -1.865 174.298 176.094 0.115 0.000 1.021 445 V CA -0.859 61.516 62.300 0.125 0.000 0.815 445 V CB 1.387 33.352 31.823 0.237 0.000 1.025 445 V HN 0.534 nan 8.190 nan 0.000 0.448 446 P HA 0.299 nan 4.420 nan 0.000 0.276 446 P C -0.729 176.619 177.300 0.079 0.000 1.261 446 P CA -0.450 62.628 63.100 -0.036 0.000 0.800 446 P CB 0.362 31.971 31.700 -0.151 0.000 1.066 447 H N -1.235 117.833 119.070 -0.002 0.000 2.732 447 H HA 0.460 5.041 4.556 0.042 0.000 0.351 447 H C 1.373 176.560 175.328 -0.234 0.000 1.090 447 H CA -0.005 55.990 56.048 -0.089 0.000 1.431 447 H CB -0.627 29.025 29.762 -0.183 0.000 1.447 447 H HN 0.812 nan 8.280 nan 0.000 0.582 448 G N 1.335 110.144 108.800 0.015 0.000 2.232 448 G HA2 -0.314 3.671 3.960 0.041 0.000 0.226 448 G HA3 -0.314 3.671 3.960 0.041 0.000 0.226 448 G C 0.470 175.326 174.900 -0.074 0.000 0.996 448 G CA 0.217 45.254 45.100 -0.105 0.000 0.626 448 G HN 0.646 nan 8.290 nan 0.000 0.509 449 Y N 1.701 122.151 120.300 0.250 0.000 2.470 449 Y HA 0.259 4.834 4.550 0.042 0.000 0.302 449 Y C 2.299 178.352 175.900 0.255 0.000 1.194 449 Y CA 0.972 59.251 58.100 0.300 0.000 1.271 449 Y CB 0.383 39.038 38.460 0.325 0.000 1.092 449 Y HN 0.522 nan 8.280 nan 0.000 0.513 450 E N 0.006 120.202 120.200 -0.007 0.000 2.340 450 E HA -0.033 4.342 4.350 0.041 0.000 0.198 450 E C 1.634 178.162 176.600 -0.120 0.000 0.961 450 E CA 0.513 56.613 56.400 -0.501 0.000 0.905 450 E CB -0.470 28.446 29.700 -1.306 0.000 0.884 450 E HN 0.522 nan 8.360 nan 0.000 0.491 451 I N 3.120 123.702 120.570 0.019 0.000 2.151 451 I HA -0.334 3.860 4.170 0.041 0.000 0.243 451 I C 2.787 178.930 176.117 0.042 0.000 1.080 451 I CA 2.303 63.662 61.300 0.098 0.000 1.339 451 I CB -0.585 37.546 38.000 0.220 0.000 1.039 451 I HN 0.242 nan 8.210 nan 0.000 0.409 452 E N 1.299 121.465 120.200 -0.057 0.000 2.160 452 E HA -0.249 4.126 4.350 0.041 0.000 0.195 452 E C 2.099 178.480 176.600 -0.364 0.000 0.991 452 E CA 1.587 57.850 56.400 -0.229 0.000 0.810 452 E CB -0.605 28.919 29.700 -0.293 0.000 0.742 452 E HN 0.467 nan 8.360 nan 0.000 0.466 453 F N 1.378 121.216 119.950 -0.186 0.000 2.128 453 F HA -0.078 4.474 4.527 0.042 0.000 0.295 453 F C 2.391 177.956 175.800 -0.393 0.000 1.100 453 F CA 0.615 58.432 58.000 -0.305 0.000 1.260 453 F CB -0.213 38.645 39.000 -0.237 0.000 1.009 453 F HN -0.014 nan 8.300 nan 0.000 0.476 454 I N -0.869 119.544 120.570 -0.262 0.000 2.286 454 I HA -0.271 3.924 4.170 0.041 0.000 0.248 454 I C 2.124 177.997 176.117 -0.406 0.000 1.115 454 I CA 1.509 62.481 61.300 -0.546 0.000 1.392 454 I CB -1.562 35.977 38.000 -0.768 0.000 1.065 454 I HN 0.090 nan 8.210 nan 0.000 0.418 455 F N 0.941 120.728 119.950 -0.272 0.000 2.661 455 F HA 0.193 4.745 4.527 0.041 0.000 0.298 455 F C 1.910 177.610 175.800 -0.165 0.000 1.137 455 F CA 0.943 58.829 58.000 -0.190 0.000 1.454 455 F CB -0.081 38.791 39.000 -0.214 0.000 1.103 455 F HN 0.300 nan 8.300 nan 0.000 0.577 456 G N -0.203 108.481 108.800 -0.193 0.000 2.131 456 G HA2 -0.283 3.702 3.960 0.041 0.000 0.223 456 G HA3 -0.283 3.702 3.960 0.041 0.000 0.223 456 G C 0.950 175.328 174.900 -0.871 0.000 0.990 456 G CA 0.258 45.129 45.100 -0.381 0.000 0.671 456 G HN 0.278 nan 8.290 nan 0.000 0.521 457 L N 0.465 121.246 121.223 -0.738 0.000 2.127 457 L HA 0.074 4.439 4.340 0.041 0.000 0.211 457 L C 0.171 176.641 176.870 -0.667 0.000 1.089 457 L CA 2.556 56.930 54.840 -0.777 0.000 0.757 457 L CB -0.702 41.152 42.059 -0.341 0.000 0.899 457 L HN 0.188 nan 8.230 nan 0.000 0.434 458 P HA -0.088 nan 4.420 nan 0.000 0.234 458 P C 1.263 178.383 177.300 -0.300 0.000 1.167 458 P CA 0.722 63.419 63.100 -0.672 0.000 0.763 458 P CB 0.113 31.316 31.700 -0.829 0.000 0.835 459 L N -1.245 119.724 121.223 -0.424 0.000 2.599 459 L HA 0.053 4.417 4.340 0.041 0.000 0.230 459 L C 0.783 177.569 176.870 -0.141 0.000 1.141 459 L CA 0.908 55.596 54.840 -0.253 0.000 0.877 459 L CB -0.905 41.004 42.059 -0.250 0.000 1.009 459 L HN -0.094 nan 8.230 nan 0.000 0.447 460 D N -0.128 120.172 120.400 -0.166 0.000 2.393 460 D HA 0.125 4.790 4.640 0.041 0.000 0.232 460 D C -1.608 174.713 176.300 0.035 0.000 1.192 460 D CA -2.114 51.895 54.000 0.015 0.000 0.882 460 D CB 1.553 42.392 40.800 0.066 0.000 1.038 460 D HN -0.041 nan 8.370 nan 0.000 0.499 461 P HA -0.167 nan 4.420 nan 0.000 0.217 461 P C 1.347 178.659 177.300 0.021 0.000 1.148 461 P CA 1.065 64.183 63.100 0.030 0.000 0.828 461 P CB 0.123 31.838 31.700 0.026 0.000 0.783 462 S N -1.308 114.403 115.700 0.019 0.000 2.474 462 S HA -0.061 4.434 4.470 0.041 0.000 0.235 462 S C 1.691 176.273 174.600 -0.029 0.000 0.997 462 S CA 0.722 58.920 58.200 -0.002 0.000 0.949 462 S CB -1.348 61.853 63.200 0.002 0.000 0.766 462 S HN 0.095 nan 8.310 nan 0.000 0.517 463 L N 0.850 122.059 121.223 -0.023 0.000 2.558 463 L HA 0.225 4.590 4.340 0.041 0.000 0.225 463 L C 0.116 176.852 176.870 -0.224 0.000 1.128 463 L CA -0.024 54.753 54.840 -0.106 0.000 0.868 463 L CB -0.496 41.530 42.059 -0.055 0.000 1.006 463 L HN 0.240 nan 8.230 nan 0.000 0.454 464 N N -1.338 117.296 118.700 -0.111 0.000 2.780 464 N HA -0.224 4.541 4.740 0.041 0.000 0.248 464 N C -0.844 174.584 175.510 -0.136 0.000 1.102 464 N CA 0.723 53.706 53.050 -0.112 0.000 0.697 464 N CB -1.805 36.603 38.487 -0.132 0.000 1.028 464 N HN 0.226 nan 8.380 nan 0.000 0.554 465 Y N 0.711 121.002 120.300 -0.015 0.000 2.301 465 Y HA 0.247 4.821 4.550 0.040 0.000 0.325 465 Y C 1.787 177.715 175.900 0.046 0.000 1.203 465 Y CA -0.234 57.883 58.100 0.028 0.000 1.255 465 Y CB 0.674 39.141 38.460 0.012 0.000 1.232 465 Y HN 0.122 nan 8.280 nan 0.000 0.501 466 T N -2.295 112.410 114.554 0.251 0.000 2.856 466 T HA -0.101 4.274 4.350 0.041 0.000 0.329 466 T C 1.389 176.170 174.700 0.135 0.000 1.094 466 T CA 0.230 62.424 62.100 0.157 0.000 1.112 466 T CB 0.810 69.761 68.868 0.139 0.000 1.009 466 T HN 0.884 nan 8.240 nan 0.000 0.550 467 T N -0.250 114.351 114.554 0.079 0.000 2.951 467 T HA -0.065 4.310 4.350 0.041 0.000 0.268 467 T C 1.537 176.262 174.700 0.042 0.000 1.073 467 T CA 1.446 63.578 62.100 0.054 0.000 1.134 467 T CB -0.487 68.401 68.868 0.033 0.000 0.884 467 T HN 0.757 nan 8.240 nan 0.000 0.479 468 E N 1.111 121.330 120.200 0.033 0.000 2.072 468 E HA -0.046 4.329 4.350 0.041 0.000 0.191 468 E C 2.315 178.929 176.600 0.023 0.000 0.985 468 E CA 1.318 57.717 56.400 -0.002 0.000 0.801 468 E CB -0.176 29.492 29.700 -0.052 0.000 0.750 468 E HN 0.671 nan 8.360 nan 0.000 0.452 469 E N 0.440 120.689 120.200 0.081 0.000 2.118 469 E HA -0.242 4.133 4.350 0.041 0.000 0.195 469 E C 2.133 178.833 176.600 0.166 0.000 0.992 469 E CA 0.865 57.392 56.400 0.211 0.000 0.804 469 E CB -0.096 29.844 29.700 0.400 0.000 0.741 469 E HN 0.116 nan 8.360 nan 0.000 0.458 470 R N 0.870 121.414 120.500 0.073 0.000 2.081 470 R HA -0.141 4.223 4.340 0.041 0.000 0.235 470 R C 2.224 178.528 176.300 0.005 0.000 1.131 470 R CA 1.209 57.308 56.100 -0.002 0.000 0.960 470 R CB -0.157 30.143 30.300 -0.001 0.000 0.856 470 R HN 0.159 nan 8.270 nan 0.000 0.436 471 I N 0.320 120.910 120.570 0.034 0.000 2.252 471 I HA -0.243 3.952 4.170 0.041 0.000 0.245 471 I C 2.159 178.317 176.117 0.068 0.000 1.102 471 I CA 0.697 62.013 61.300 0.026 0.000 1.385 471 I CB -0.343 37.666 38.000 0.016 0.000 1.064 471 I HN 0.165 nan 8.210 nan 0.000 0.414 472 F N 2.180 122.072 119.950 -0.097 0.000 2.065 472 F HA -0.319 4.233 4.527 0.042 0.000 0.298 472 F C 2.479 178.240 175.800 -0.065 0.000 1.112 472 F CA 1.489 59.418 58.000 -0.118 0.000 1.212 472 F CB -0.827 38.046 39.000 -0.213 0.000 0.975 472 F HN 0.046 nan 8.300 nan 0.000 0.476 473 A N 0.014 122.791 122.820 -0.072 0.000 1.908 473 A HA -0.250 4.094 4.320 0.041 0.000 0.218 473 A C 2.153 179.619 177.584 -0.198 0.000 1.181 473 A CA 1.831 53.753 52.037 -0.193 0.000 0.627 473 A CB -0.928 17.975 19.000 -0.161 0.000 0.818 473 A HN 0.628 nan 8.150 nan 0.000 0.445 474 Q N -0.652 119.071 119.800 -0.128 0.000 2.077 474 Q HA -0.232 4.132 4.340 0.041 0.000 0.206 474 Q C 2.380 178.284 176.000 -0.161 0.000 0.989 474 Q CA 1.741 57.474 55.803 -0.117 0.000 0.853 474 Q CB -0.269 28.426 28.738 -0.072 0.000 0.907 474 Q HN 0.635 nan 8.270 nan 0.000 0.418 475 R N 0.435 120.826 120.500 -0.181 0.000 2.094 475 R HA -0.156 4.209 4.340 0.041 0.000 0.239 475 R C 2.425 178.440 176.300 -0.475 0.000 1.137 475 R CA 1.464 57.361 56.100 -0.338 0.000 0.943 475 R CB -0.509 29.660 30.300 -0.218 0.000 0.850 475 R HN 0.254 nan 8.270 nan 0.000 0.433 476 L N 0.159 121.196 121.223 -0.310 0.000 2.042 476 L HA -0.206 4.158 4.340 0.041 0.000 0.210 476 L C 2.564 179.378 176.870 -0.094 0.000 1.076 476 L CA 1.429 56.170 54.840 -0.164 0.000 0.749 476 L CB -0.406 41.396 42.059 -0.428 0.000 0.893 476 L HN 0.278 nan 8.230 nan 0.000 0.432 477 M N -0.960 118.536 119.600 -0.174 0.000 2.279 477 M HA -0.166 4.339 4.480 0.041 0.000 0.264 477 M C 2.244 178.549 176.300 0.007 0.000 1.062 477 M CA 1.369 56.607 55.300 -0.103 0.000 1.099 477 M CB -0.289 32.239 32.600 -0.119 0.000 1.394 477 M HN 0.069 nan 8.290 nan 0.000 0.426 478 K N -0.079 120.293 120.400 -0.046 0.000 2.062 478 K HA -0.092 4.253 4.320 0.041 0.000 0.205 478 K C 1.901 178.581 176.600 0.133 0.000 1.051 478 K CA 1.503 57.780 56.287 -0.016 0.000 0.941 478 K CB -0.219 32.210 32.500 -0.118 0.000 0.719 478 K HN 0.285 nan 8.250 nan 0.000 0.440 479 Y N -0.048 120.397 120.300 0.241 0.000 2.070 479 Y HA -0.239 4.336 4.550 0.041 0.000 0.280 479 Y C 2.467 178.539 175.900 0.286 0.000 1.148 479 Y CA 0.872 59.161 58.100 0.317 0.000 1.125 479 Y CB -0.979 37.823 38.460 0.570 0.000 0.975 479 Y HN 0.206 nan 8.280 nan 0.000 0.492 480 W N 0.626 122.021 121.300 0.158 0.000 2.335 480 W HA -0.251 4.433 4.660 0.040 0.000 0.311 480 W C 2.421 178.950 176.519 0.017 0.000 1.213 480 W CA 2.200 59.562 57.345 0.029 0.000 1.274 480 W CB -0.697 28.694 29.460 -0.115 0.000 1.148 480 W HN 0.224 nan 8.180 nan 0.000 0.498 481 T N -2.118 112.556 114.554 0.200 0.000 2.942 481 T HA -0.114 4.260 4.350 0.041 0.000 0.265 481 T C 1.394 176.130 174.700 0.059 0.000 1.062 481 T CA 1.021 63.168 62.100 0.078 0.000 1.139 481 T CB -0.563 68.332 68.868 0.044 0.000 0.883 481 T HN -0.034 nan 8.240 nan 0.000 0.468 482 N N 1.007 119.763 118.700 0.094 0.000 2.120 482 N HA 0.002 4.766 4.740 0.041 0.000 0.188 482 N C 1.395 176.906 175.510 0.003 0.000 1.024 482 N CA 0.905 53.986 53.050 0.053 0.000 0.852 482 N CB -0.631 37.911 38.487 0.091 0.000 1.003 482 N HN 0.448 nan 8.380 nan 0.000 0.424 483 F N 1.778 121.652 119.950 -0.127 0.000 2.126 483 F HA -0.135 4.417 4.527 0.042 0.000 0.299 483 F C 2.187 177.904 175.800 -0.138 0.000 1.096 483 F CA 1.424 59.291 58.000 -0.220 0.000 1.255 483 F CB -0.370 38.404 39.000 -0.377 0.000 0.997 483 F HN 0.035 nan 8.300 nan 0.000 0.479 484 A N 0.418 123.176 122.820 -0.103 0.000 1.902 484 A HA -0.186 4.159 4.320 0.041 0.000 0.217 484 A C 2.354 179.838 177.584 -0.167 0.000 1.181 484 A CA 1.737 53.688 52.037 -0.143 0.000 0.623 484 A CB -0.729 18.252 19.000 -0.032 0.000 0.818 484 A HN 0.450 nan 8.150 nan 0.000 0.443 485 R N -1.194 119.237 120.500 -0.115 0.000 2.075 485 R HA -0.085 4.280 4.340 0.041 0.000 0.232 485 R C 1.987 178.208 176.300 -0.131 0.000 1.126 485 R CA 1.912 57.958 56.100 -0.091 0.000 0.963 485 R CB -0.158 30.113 30.300 -0.048 0.000 0.858 485 R HN 0.742 nan 8.270 nan 0.000 0.435 486 T N -6.125 108.320 114.554 -0.181 0.000 2.986 486 T HA 0.263 4.638 4.350 0.041 0.000 0.264 486 T C 1.137 175.698 174.700 -0.231 0.000 0.964 486 T CA 0.379 62.382 62.100 -0.161 0.000 0.895 486 T CB 1.461 70.272 68.868 -0.095 0.000 1.163 486 T HN 0.321 nan 8.240 nan 0.000 0.517 487 G N 1.238 109.765 108.800 -0.455 0.000 2.175 487 G HA2 -0.139 3.846 3.960 0.041 0.000 0.244 487 G HA3 -0.139 3.846 3.960 0.041 0.000 0.244 487 G C -0.378 174.353 174.900 -0.281 0.000 0.982 487 G CA 0.127 44.889 45.100 -0.564 0.000 0.641 487 G HN 0.811 nan 8.290 nan 0.000 0.527 488 D N -0.453 119.809 120.400 -0.231 0.000 2.736 488 D HA 0.471 5.136 4.640 0.041 0.000 0.243 488 D C -1.692 174.440 176.300 -0.280 0.000 1.304 488 D CA -1.573 52.271 54.000 -0.261 0.000 0.934 488 D CB 2.176 42.935 40.800 -0.068 0.000 1.382 488 D HN -0.011 nan 8.370 nan 0.000 0.571 489 P HA -0.001 nan 4.420 nan 0.000 0.237 489 P C 0.014 177.348 177.300 0.057 0.000 1.178 489 P CA 0.033 62.979 63.100 -0.257 0.000 0.766 489 P CB 0.341 31.608 31.700 -0.722 0.000 0.876 490 N N 1.415 120.117 118.700 0.004 0.000 2.508 490 N HA 0.035 4.799 4.740 0.041 0.000 0.264 490 N C -0.114 175.484 175.510 0.147 0.000 1.216 490 N CA 0.306 53.454 53.050 0.164 0.000 0.943 490 N CB 0.440 39.012 38.487 0.143 0.000 1.113 490 N HN -0.048 nan 8.380 nan 0.000 0.447 491 D N 1.921 122.426 120.400 0.176 0.000 2.380 491 D HA 0.185 4.849 4.640 0.041 0.000 0.230 491 D C -1.309 175.044 176.300 0.088 0.000 1.154 491 D CA -2.027 52.044 54.000 0.118 0.000 0.859 491 D CB 1.075 41.943 40.800 0.113 0.000 1.045 491 D HN 0.252 nan 8.370 nan 0.000 0.495 492 P HA -0.200 nan 4.420 nan 0.000 0.216 492 P C -0.246 177.084 177.300 0.049 0.000 1.167 492 P CA 1.151 64.283 63.100 0.052 0.000 0.914 492 P CB -0.017 31.704 31.700 0.037 0.000 0.793 493 R N 1.429 121.955 120.500 0.043 0.000 2.387 493 R HA 0.417 4.782 4.340 0.041 0.000 0.321 493 R C -0.175 176.153 176.300 0.047 0.000 1.174 493 R CA 0.122 56.245 56.100 0.039 0.000 1.002 493 R CB -0.550 29.768 30.300 0.031 0.000 1.028 493 R HN 0.147 nan 8.270 nan 0.000 0.482 494 D N 0.566 120.998 120.400 0.052 0.000 3.053 494 D HA 0.060 4.724 4.640 0.041 0.000 0.267 494 D C -1.463 174.876 176.300 0.065 0.000 0.998 494 D CA -0.177 53.859 54.000 0.059 0.000 0.770 494 D CB 0.997 41.841 40.800 0.073 0.000 2.505 494 D HN 0.382 nan 8.370 nan 0.000 0.477 495 S N 1.556 117.293 115.700 0.061 0.000 2.596 495 S HA 0.666 5.161 4.470 0.041 0.000 0.270 495 S C 0.059 174.693 174.600 0.056 0.000 1.155 495 S CA -0.606 57.630 58.200 0.058 0.000 0.827 495 S CB 2.607 65.834 63.200 0.046 0.000 1.130 495 S HN 0.595 nan 8.310 nan 0.000 0.467 496 K N -0.229 120.204 120.400 0.055 0.000 9.188 496 K HA -0.180 4.165 4.320 0.041 0.000 0.503 496 K C 0.629 177.258 176.600 0.048 0.000 0.367 496 K CA 2.260 58.575 56.287 0.046 0.000 1.958 496 K CB -2.667 29.854 32.500 0.035 0.000 0.698 496 K HN 1.170 nan 8.250 nan 0.000 1.029 497 S N 4.791 120.522 115.700 0.050 0.000 2.811 497 S HA 0.238 4.732 4.470 0.041 0.000 0.325 497 S C -2.148 172.501 174.600 0.082 0.000 1.224 497 S CA -0.758 57.477 58.200 0.059 0.000 1.125 497 S CB 0.158 63.395 63.200 0.060 0.000 0.867 497 S HN 0.138 nan 8.310 nan 0.000 0.512 498 P HA 0.154 nan 4.420 nan 0.000 0.272 498 P C -0.078 177.295 177.300 0.121 0.000 1.230 498 P CA -0.442 62.705 63.100 0.078 0.000 0.788 498 P CB 0.419 32.148 31.700 0.047 0.000 0.949 499 Q N 0.188 120.069 119.800 0.135 0.000 2.394 499 Q HA 0.064 4.429 4.340 0.041 0.000 0.248 499 Q C -0.530 175.627 176.000 0.261 0.000 0.992 499 Q CA 0.182 56.102 55.803 0.195 0.000 0.888 499 Q CB 0.556 29.397 28.738 0.172 0.000 1.257 499 Q HN 0.551 nan 8.270 nan 0.000 0.462 500 W N 6.280 127.642 121.300 0.103 0.000 2.416 500 W HA 0.247 4.932 4.660 0.043 0.000 0.318 500 W C -2.361 174.294 176.519 0.227 0.000 1.150 500 W CA -2.501 54.917 57.345 0.123 0.000 1.392 500 W CB 0.200 29.686 29.460 0.045 0.000 1.311 500 W HN 0.371 nan 8.180 nan 0.000 0.436 501 P HA 0.213 nan 4.420 nan 0.000 0.278 501 P C -2.548 174.907 177.300 0.257 0.000 1.238 501 P CA -1.615 61.678 63.100 0.321 0.000 0.794 501 P CB 0.720 32.534 31.700 0.191 0.000 0.955 502 P HA -0.021 nan 4.420 nan 0.000 0.266 502 P C -0.459 176.804 177.300 -0.062 0.000 1.193 502 P CA 0.397 63.272 63.100 -0.375 0.000 0.770 502 P CB -0.000 31.490 31.700 -0.349 0.000 0.836 503 Y N 2.995 123.212 120.300 -0.139 0.000 2.359 503 Y HA 0.367 4.941 4.550 0.040 0.000 0.330 503 Y C 0.436 176.320 175.900 -0.027 0.000 1.143 503 Y CA 0.581 58.681 58.100 -0.001 0.000 1.318 503 Y CB 0.437 38.920 38.460 0.038 0.000 1.234 503 Y HN 0.417 nan 8.280 nan 0.000 0.522 504 T N 0.193 114.425 114.554 -0.537 0.000 2.896 504 T HA 0.250 4.624 4.350 0.041 0.000 0.297 504 T C 0.798 175.254 174.700 -0.405 0.000 1.108 504 T CA -0.214 61.709 62.100 -0.296 0.000 1.004 504 T CB 1.205 69.979 68.868 -0.158 0.000 1.159 504 T HN 0.674 nan 8.240 nan 0.000 0.499 505 T N -0.265 114.208 114.554 -0.135 0.000 2.788 505 T HA -0.010 4.364 4.350 0.041 0.000 0.268 505 T C 2.248 176.900 174.700 -0.080 0.000 1.044 505 T CA 1.101 63.165 62.100 -0.061 0.000 1.139 505 T CB -0.903 67.978 68.868 0.023 0.000 0.867 505 T HN 0.911 nan 8.240 nan 0.000 0.454 506 A N 2.280 125.054 122.820 -0.077 0.000 1.828 506 A HA 0.347 4.692 4.320 0.041 0.000 0.215 506 A C 2.806 180.344 177.584 -0.075 0.000 1.203 506 A CA 2.062 54.066 52.037 -0.056 0.000 0.614 506 A CB -1.466 17.509 19.000 -0.042 0.000 0.844 506 A HN 0.769 nan 8.150 nan 0.000 0.445 507 A N -2.314 120.440 122.820 -0.110 0.000 2.021 507 A HA 0.180 4.525 4.320 0.041 0.000 0.216 507 A C 1.021 178.529 177.584 -0.126 0.000 1.163 507 A CA 1.026 53.008 52.037 -0.093 0.000 0.676 507 A CB -0.383 18.574 19.000 -0.072 0.000 0.818 507 A HN 0.634 nan 8.150 nan 0.000 0.453 508 Q N -0.403 119.211 119.800 -0.309 0.000 2.451 508 Q HA -0.213 4.152 4.340 0.041 0.000 0.305 508 Q C -0.821 175.163 176.000 -0.027 0.000 1.345 508 Q CA 0.679 56.233 55.803 -0.416 0.000 0.854 508 Q CB -1.697 26.995 28.738 -0.076 0.000 1.162 508 Q HN 0.838 nan 8.270 nan 0.000 0.440 509 Q N 0.600 120.376 119.800 -0.040 0.000 2.256 509 Q HA 0.505 4.869 4.340 0.041 0.000 0.254 509 Q C -0.430 175.816 176.000 0.411 0.000 0.916 509 Q CA -0.257 55.630 55.803 0.139 0.000 0.932 509 Q CB 0.688 29.465 28.738 0.065 0.000 1.207 509 Q HN 0.355 nan 8.270 nan 0.000 0.426 510 Y N -1.116 119.331 120.300 0.245 0.000 2.669 510 Y HA 0.779 5.353 4.550 0.040 0.000 0.335 510 Y C -0.808 175.142 175.900 0.082 0.000 1.116 510 Y CA -1.560 56.704 58.100 0.272 0.000 1.081 510 Y CB 0.576 39.193 38.460 0.262 0.000 1.297 510 Y HN 0.333 nan 8.280 nan 0.000 0.484 511 V N -0.522 119.395 119.914 0.005 0.000 2.815 511 V HA 0.802 4.947 4.120 0.041 0.000 0.314 511 V C -0.258 175.794 176.094 -0.070 0.000 1.064 511 V CA -0.648 61.475 62.300 -0.296 0.000 0.952 511 V CB 1.240 32.574 31.823 -0.815 0.000 1.020 511 V HN 1.142 nan 8.190 nan 0.000 0.439 512 S N 4.037 119.685 115.700 -0.088 0.000 2.513 512 S HA 0.688 5.183 4.470 0.041 0.000 0.276 512 S C -0.463 174.113 174.600 -0.039 0.000 1.254 512 S CA -0.640 57.570 58.200 0.017 0.000 1.053 512 S CB 0.566 63.767 63.200 0.001 0.000 0.958 512 S HN 0.765 nan 8.310 nan 0.000 0.491 513 L N 4.189 125.438 121.223 0.043 0.000 2.276 513 L HA 0.526 4.890 4.340 0.041 0.000 0.286 513 L C -0.179 176.639 176.870 -0.088 0.000 1.024 513 L CA -0.387 54.505 54.840 0.086 0.000 0.826 513 L CB 0.208 42.413 42.059 0.243 0.000 1.211 513 L HN 0.975 nan 8.230 nan 0.000 0.422 514 N N 2.205 120.764 118.700 -0.235 0.000 3.517 514 N HA 0.306 5.070 4.740 0.041 0.000 0.329 514 N C 0.138 175.101 175.510 -0.912 0.000 1.569 514 N CA -0.929 51.707 53.050 -0.690 0.000 0.852 514 N CB 0.534 38.783 38.487 -0.397 0.000 1.955 514 N HN 0.174 nan 8.380 nan 0.000 0.555 515 L N -0.648 120.072 121.223 -0.839 0.000 2.156 515 L HA 0.140 4.504 4.340 0.041 0.000 0.208 515 L C 0.638 177.314 176.870 -0.324 0.000 1.095 515 L CA 0.851 55.297 54.840 -0.656 0.000 0.770 515 L CB -0.518 41.229 42.059 -0.520 0.000 0.914 515 L HN 0.369 nan 8.230 nan 0.000 0.439 516 K N 0.499 120.756 120.400 -0.239 0.000 2.336 516 K HA 0.136 4.481 4.320 0.041 0.000 0.262 516 K C -2.126 174.417 176.600 -0.095 0.000 0.992 516 K CA -1.587 54.620 56.287 -0.134 0.000 0.927 516 K CB -0.231 32.207 32.500 -0.104 0.000 0.956 516 K HN -0.149 nan 8.250 nan 0.000 0.495 517 P HA -0.008 nan 4.420 nan 0.000 0.271 517 P C -0.417 176.877 177.300 -0.010 0.000 1.244 517 P CA -0.310 62.788 63.100 -0.002 0.000 0.793 517 P CB 0.362 32.067 31.700 0.009 0.000 0.984 518 L N 0.616 121.850 121.223 0.018 0.000 2.615 518 L HA -0.057 4.307 4.340 0.041 0.000 0.284 518 L C 1.131 177.960 176.870 -0.068 0.000 1.237 518 L CA 0.823 55.634 54.840 -0.049 0.000 0.905 518 L CB -0.388 41.629 42.059 -0.071 0.000 1.149 518 L HN 0.470 nan 8.230 nan 0.000 0.499 519 E N 3.068 123.206 120.200 -0.103 0.000 2.171 519 E HA 0.391 4.766 4.350 0.041 0.000 0.271 519 E C -1.337 175.173 176.600 -0.151 0.000 0.916 519 E CA -0.800 55.541 56.400 -0.098 0.000 0.774 519 E CB 1.879 31.529 29.700 -0.082 0.000 1.128 519 E HN 0.302 nan 8.360 nan 0.000 0.403 520 V N 5.446 125.281 119.914 -0.131 0.000 2.406 520 V HA 0.381 4.525 4.120 0.041 0.000 0.272 520 V C 0.237 176.192 176.094 -0.231 0.000 1.043 520 V CA -0.284 61.915 62.300 -0.169 0.000 0.915 520 V CB 0.909 32.686 31.823 -0.077 0.000 0.988 520 V HN 0.669 nan 8.190 nan 0.000 0.466 521 R N 4.095 124.321 120.500 -0.455 0.000 2.873 521 R HA 0.752 5.116 4.340 0.041 0.000 0.264 521 R C -0.725 175.305 176.300 -0.450 0.000 1.026 521 R CA -1.020 54.772 56.100 -0.513 0.000 1.002 521 R CB 2.319 32.169 30.300 -0.750 0.000 1.174 521 R HN 0.565 nan 8.270 nan 0.000 0.488 522 R N 0.065 120.489 120.500 -0.125 0.000 2.534 522 R HA 0.456 4.821 4.340 0.041 0.000 0.301 522 R C -0.753 175.701 176.300 0.256 0.000 0.961 522 R CA -0.407 55.736 56.100 0.071 0.000 0.871 522 R CB 2.187 32.505 30.300 0.032 0.000 1.170 522 R HN 0.908 nan 8.270 nan 0.000 0.446 523 G N 2.197 111.211 108.800 0.357 0.000 3.285 523 G HA2 -0.217 3.768 3.960 0.041 0.000 0.685 523 G HA3 -0.217 3.768 3.960 0.041 0.000 0.685 523 G C -1.178 173.944 174.900 0.370 0.000 0.938 523 G CA -0.891 44.400 45.100 0.319 0.000 0.778 523 G HN 0.373 nan 8.290 nan 0.000 0.515 524 L N 4.292 125.638 121.223 0.205 0.000 2.353 524 L HA 0.580 4.944 4.340 0.041 0.000 0.269 524 L C 1.452 178.359 176.870 0.062 0.000 1.085 524 L CA -0.616 54.208 54.840 -0.028 0.000 0.938 524 L CB -0.148 41.827 42.059 -0.140 0.000 1.312 524 L HN 0.730 nan 8.230 nan 0.000 0.429 525 R N 2.421 122.988 120.500 0.112 0.000 3.416 525 R HA -0.263 4.102 4.340 0.041 0.000 0.263 525 R C 1.312 177.716 176.300 0.174 0.000 1.053 525 R CA 0.765 56.959 56.100 0.156 0.000 0.705 525 R CB -2.296 28.108 30.300 0.173 0.000 1.124 525 R HN 0.725 nan 8.270 nan 0.000 0.444 526 A N 0.545 123.462 122.820 0.162 0.000 1.892 526 A HA -0.257 4.088 4.320 0.041 0.000 0.218 526 A C 2.084 179.762 177.584 0.156 0.000 1.188 526 A CA 1.424 53.555 52.037 0.157 0.000 0.631 526 A CB -0.130 18.956 19.000 0.144 0.000 0.822 526 A HN 0.368 nan 8.150 nan 0.000 0.447 527 Q N -0.736 119.151 119.800 0.145 0.000 2.050 527 Q HA -0.117 4.248 4.340 0.041 0.000 0.202 527 Q C 2.252 178.367 176.000 0.192 0.000 0.980 527 Q CA 2.137 58.025 55.803 0.143 0.000 0.840 527 Q CB -1.223 27.583 28.738 0.114 0.000 0.898 527 Q HN 0.648 nan 8.270 nan 0.000 0.424 528 T N 0.309 115.003 114.554 0.234 0.000 2.867 528 T HA -0.096 4.278 4.350 0.041 0.000 0.268 528 T C 1.953 176.890 174.700 0.395 0.000 1.057 528 T CA 0.983 63.266 62.100 0.306 0.000 1.136 528 T CB -0.182 68.910 68.868 0.374 0.000 0.874 528 T HN 0.309 nan 8.240 nan 0.000 0.466 529 c N 1.412 120.222 118.600 0.350 0.000 2.464 529 c HA 0.300 4.895 4.570 0.041 0.000 0.278 529 c C 3.096 177.356 174.090 0.284 0.000 1.375 529 c CA -0.080 56.469 56.329 0.368 0.000 1.761 529 c CB -1.294 41.367 42.510 0.251 0.000 1.944 529 c HN 0.637 nan 8.230 nan 0.000 0.509 530 A N 0.415 123.367 122.820 0.220 0.000 1.940 530 A HA -0.230 4.115 4.320 0.041 0.000 0.219 530 A C 1.868 179.557 177.584 0.175 0.000 1.176 530 A CA 1.777 53.917 52.037 0.172 0.000 0.631 530 A CB -0.812 18.273 19.000 0.141 0.000 0.814 530 A HN 0.548 nan 8.150 nan 0.000 0.446 531 F N -0.886 119.058 119.950 -0.010 0.000 2.075 531 F HA -0.178 4.375 4.527 0.044 0.000 0.297 531 F C 1.976 177.719 175.800 -0.095 0.000 1.113 531 F CA 1.782 59.692 58.000 -0.151 0.000 1.218 531 F CB -0.614 38.053 39.000 -0.555 0.000 0.984 531 F HN 0.385 nan 8.300 nan 0.000 0.472 532 W N 0.441 121.711 121.300 -0.050 0.000 2.418 532 W HA -0.118 4.566 4.660 0.039 0.000 0.292 532 W C 2.103 178.574 176.519 -0.080 0.000 1.213 532 W CA 0.961 58.239 57.345 -0.113 0.000 1.283 532 W CB -0.446 29.080 29.460 0.110 0.000 1.119 532 W HN -0.028 nan 8.180 nan 0.000 0.542 533 N N -0.738 118.090 118.700 0.213 0.000 2.405 533 N HA 0.057 4.822 4.740 0.041 0.000 0.175 533 N C 1.495 177.047 175.510 0.069 0.000 1.051 533 N CA 0.757 53.886 53.050 0.132 0.000 0.899 533 N CB -0.120 38.444 38.487 0.128 0.000 1.000 533 N HN 0.215 nan 8.380 nan 0.000 0.451 534 R N -1.318 119.222 120.500 0.067 0.000 2.167 534 R HA 0.229 4.593 4.340 0.041 0.000 0.195 534 R C 1.288 177.623 176.300 0.059 0.000 1.027 534 R CA 0.091 56.231 56.100 0.066 0.000 1.114 534 R CB -0.036 30.323 30.300 0.098 0.000 1.075 534 R HN 0.058 nan 8.270 nan 0.000 0.538 535 F N 1.304 121.174 119.950 -0.133 0.000 2.220 535 F HA 0.070 4.622 4.527 0.042 0.000 0.290 535 F C 1.948 177.594 175.800 -0.258 0.000 1.080 535 F CA 0.643 58.542 58.000 -0.167 0.000 1.318 535 F CB -0.187 38.731 39.000 -0.136 0.000 1.063 535 F HN -0.147 nan 8.300 nan 0.000 0.498 536 L N 1.399 122.318 121.223 -0.508 0.000 2.043 536 L HA -0.155 4.209 4.340 0.041 0.000 0.212 536 L C -0.560 176.087 176.870 -0.372 0.000 1.075 536 L CA 2.336 56.827 54.840 -0.581 0.000 0.752 536 L CB -2.223 39.483 42.059 -0.588 0.000 0.891 536 L HN 0.093 nan 8.230 nan 0.000 0.432 537 P HA -0.195 nan 4.420 nan 0.000 0.215 537 P C 1.484 178.665 177.300 -0.199 0.000 1.153 537 P CA 1.431 64.441 63.100 -0.150 0.000 0.853 537 P CB -0.054 31.595 31.700 -0.084 0.000 0.788 538 K N -0.845 119.397 120.400 -0.264 0.000 2.360 538 K HA -0.102 4.242 4.320 0.041 0.000 0.201 538 K C 1.383 177.780 176.600 -0.338 0.000 1.046 538 K CA 0.559 56.687 56.287 -0.265 0.000 0.945 538 K CB -0.581 31.768 32.500 -0.250 0.000 0.750 538 K HN -0.007 nan 8.250 nan 0.000 0.464 539 L N 0.911 121.858 121.223 -0.461 0.000 2.627 539 L HA 0.293 4.657 4.340 0.041 0.000 0.232 539 L C -0.536 176.211 176.870 -0.205 0.000 1.150 539 L CA 0.607 55.212 54.840 -0.392 0.000 0.917 539 L CB -0.146 41.605 42.059 -0.514 0.000 1.104 539 L HN 0.029 nan 8.230 nan 0.000 0.445 540 L N 0.000 121.125 121.223 -0.164 0.000 2.949 540 L HA 0.000 4.365 4.340 0.041 0.000 0.249 540 L CA 0.000 54.779 54.840 -0.102 0.000 0.813 540 L CB 0.000 42.006 42.059 -0.089 0.000 0.961 540 L HN 0.000 nan 8.230 nan 0.000 0.502