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 2jgj_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.041 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.718 29.700 0.029 0.000 0.812 5 D N 5.257 125.689 120.400 0.054 0.000 2.363 5 D HA 0.075 4.741 4.640 0.044 0.000 0.263 5 D C -1.368 174.977 176.300 0.075 0.000 1.258 5 D CA -1.756 52.291 54.000 0.078 0.000 0.907 5 D CB 1.287 42.157 40.800 0.116 0.000 1.107 5 D HN 0.257 nan 8.370 nan 0.000 0.495 6 P HA -0.095 nan 4.420 nan 0.000 0.234 6 P C 0.998 178.321 177.300 0.040 0.000 1.167 6 P CA 0.456 63.580 63.100 0.040 0.000 0.763 6 P CB 0.552 32.263 31.700 0.018 0.000 0.835 7 Q N -0.152 119.669 119.800 0.035 0.000 2.172 7 Q HA 0.038 4.404 4.340 0.044 0.000 0.200 7 Q C 1.855 177.954 176.000 0.164 0.000 0.964 7 Q CA 0.960 56.774 55.803 0.018 0.000 0.855 7 Q CB -0.353 28.288 28.738 -0.161 0.000 0.918 7 Q HN 0.415 nan 8.270 nan 0.000 0.444 8 L N 0.342 121.669 121.223 0.174 0.000 2.685 8 L HA 0.190 4.556 4.340 0.044 0.000 0.233 8 L C -0.015 177.028 176.870 0.289 0.000 1.173 8 L CA -0.252 54.713 54.840 0.208 0.000 0.961 8 L CB 0.235 42.338 42.059 0.073 0.000 1.217 8 L HN -0.009 nan 8.230 nan 0.000 0.478 9 L N 0.540 121.894 121.223 0.219 0.000 2.343 9 L HA 0.543 4.909 4.340 0.044 0.000 0.278 9 L C -0.656 176.256 176.870 0.069 0.000 0.996 9 L CA -0.262 54.672 54.840 0.156 0.000 0.831 9 L CB 1.842 43.953 42.059 0.087 0.000 1.232 9 L HN -0.274 nan 8.230 nan 0.000 0.413 10 V N 4.387 124.311 119.914 0.017 0.000 2.735 10 V HA 0.541 4.688 4.120 0.044 0.000 0.310 10 V C -0.301 175.715 176.094 -0.129 0.000 1.061 10 V CA -0.841 61.331 62.300 -0.212 0.000 0.913 10 V CB 2.110 33.527 31.823 -0.676 0.000 1.005 10 V HN 0.635 nan 8.190 nan 0.000 0.428 11 R N 2.961 123.360 120.500 -0.168 0.000 2.215 11 R HA 0.633 5.000 4.340 0.044 0.000 0.337 11 R C -0.462 175.742 176.300 -0.161 0.000 1.010 11 R CA -0.305 55.725 56.100 -0.116 0.000 0.871 11 R CB 1.155 31.392 30.300 -0.104 0.000 1.134 11 R HN 0.750 nan 8.270 nan 0.000 0.477 12 V N 1.650 121.518 119.914 -0.076 0.000 3.369 12 V HA 0.379 4.526 4.120 0.044 0.000 0.309 12 V C 1.372 177.393 176.094 -0.123 0.000 1.069 12 V CA -0.678 61.577 62.300 -0.074 0.000 1.042 12 V CB 1.397 33.315 31.823 0.159 0.000 1.192 12 V HN 0.787 nan 8.190 nan 0.000 0.447 13 R N 0.973 121.386 120.500 -0.144 0.000 2.127 13 R HA -0.048 4.319 4.340 0.044 0.000 0.238 13 R C 1.998 178.161 176.300 -0.227 0.000 1.134 13 R CA 1.601 57.607 56.100 -0.156 0.000 0.975 13 R CB -0.643 29.582 30.300 -0.124 0.000 0.865 13 R HN 0.987 nan 8.270 nan 0.000 0.447 14 G N -0.716 107.896 108.800 -0.313 0.000 2.985 14 G HA2 0.319 4.305 3.960 0.044 0.000 0.209 14 G HA3 0.319 4.305 3.960 0.044 0.000 0.209 14 G C 0.397 174.348 174.900 -1.581 0.000 1.165 14 G CA 0.483 45.132 45.100 -0.752 0.000 0.776 14 G HN 0.567 nan 8.290 nan 0.000 0.541 15 G N -0.882 107.302 108.800 -1.026 0.000 2.270 15 G HA2 0.054 4.040 3.960 0.044 0.000 0.268 15 G HA3 0.054 4.040 3.960 0.044 0.000 0.268 15 G C -1.151 173.668 174.900 -0.135 0.000 1.312 15 G CA -0.928 43.691 45.100 -0.803 0.000 1.050 15 G HN 0.274 nan 8.290 nan 0.000 0.474 16 Q N -0.277 119.627 119.800 0.173 0.000 2.230 16 Q HA 0.706 5.073 4.340 0.044 0.000 0.253 16 Q C -0.536 175.749 176.000 0.475 0.000 0.919 16 Q CA -0.331 55.642 55.803 0.283 0.000 0.908 16 Q CB 2.072 30.911 28.738 0.170 0.000 1.245 16 Q HN 0.467 nan 8.270 nan 0.000 0.437 17 L N 1.479 122.898 121.223 0.326 0.000 2.370 17 L HA 0.618 4.984 4.340 0.044 0.000 0.266 17 L C -0.436 176.602 176.870 0.280 0.000 1.002 17 L CA -0.818 54.213 54.840 0.318 0.000 0.818 17 L CB 2.278 44.559 42.059 0.369 0.000 1.325 17 L HN 0.467 nan 8.230 nan 0.000 0.418 18 R N 0.913 121.558 120.500 0.241 0.000 2.388 18 R HA 0.605 4.971 4.340 0.044 0.000 0.314 18 R C -0.201 176.187 176.300 0.145 0.000 0.959 18 R CA -0.336 55.879 56.100 0.192 0.000 0.851 18 R CB 1.526 31.884 30.300 0.096 0.000 1.168 18 R HN 0.798 nan 8.270 nan 0.000 0.472 19 G N 3.359 112.216 108.800 0.094 0.000 2.525 19 G HA2 0.390 4.376 3.960 0.044 0.000 0.287 19 G HA3 0.390 4.376 3.960 0.044 0.000 0.287 19 G C -0.805 173.911 174.900 -0.307 0.000 1.350 19 G CA -0.690 44.172 45.100 -0.398 0.000 1.039 19 G HN 0.610 nan 8.290 nan 0.000 0.513 20 I N -1.163 119.167 120.570 -0.400 0.000 2.686 20 I HA 0.530 4.726 4.170 0.044 0.000 0.295 20 I C -0.302 175.669 176.117 -0.244 0.000 1.114 20 I CA -1.170 59.979 61.300 -0.252 0.000 1.038 20 I CB 2.182 40.045 38.000 -0.228 0.000 1.238 20 I HN 0.484 nan 8.210 nan 0.000 0.420 21 R N 7.481 127.876 120.500 -0.174 0.000 2.234 21 R HA 0.576 4.942 4.340 0.044 0.000 0.324 21 R C -1.652 174.539 176.300 -0.180 0.000 1.054 21 R CA -0.370 55.613 56.100 -0.194 0.000 0.912 21 R CB 0.710 30.845 30.300 -0.275 0.000 1.030 21 R HN 0.653 nan 8.270 nan 0.000 0.455 22 L N 3.054 124.188 121.223 -0.149 0.000 2.334 22 L HA 0.477 4.843 4.340 0.044 0.000 0.270 22 L C -0.324 176.476 176.870 -0.117 0.000 1.018 22 L CA -1.253 53.521 54.840 -0.110 0.000 0.811 22 L CB 1.622 43.651 42.059 -0.050 0.000 1.271 22 L HN 0.456 nan 8.230 nan 0.000 0.443 23 K N 1.628 121.966 120.400 -0.104 0.000 2.234 23 K HA 0.635 4.981 4.320 0.044 0.000 0.277 23 K C -0.899 175.635 176.600 -0.110 0.000 1.038 23 K CA -0.107 56.121 56.287 -0.097 0.000 0.888 23 K CB 1.333 33.788 32.500 -0.076 0.000 1.091 23 K HN 0.612 nan 8.250 nan 0.000 0.467 24 A N 5.591 128.349 122.820 -0.104 0.000 2.337 24 A HA 0.570 4.916 4.320 0.044 0.000 0.331 24 A C -2.019 175.556 177.584 -0.014 0.000 1.137 24 A CA -1.771 50.194 52.037 -0.119 0.000 0.807 24 A CB 0.959 19.869 19.000 -0.149 0.000 1.250 24 A HN 0.672 nan 8.150 nan 0.000 0.468 25 P HA -0.069 nan 4.420 nan 0.000 0.219 25 P C 1.184 178.512 177.300 0.048 0.000 1.146 25 P CA 1.859 65.002 63.100 0.072 0.000 0.808 25 P CB 0.299 32.073 31.700 0.125 0.000 0.779 26 G N -2.222 106.608 108.800 0.050 0.000 3.126 26 G HA2 0.482 4.468 3.960 0.044 0.000 0.224 26 G HA3 0.482 4.468 3.960 0.044 0.000 0.224 26 G C 0.501 175.419 174.900 0.029 0.000 1.142 26 G CA 0.387 45.511 45.100 0.040 0.000 0.759 26 G HN 0.556 nan 8.290 nan 0.000 0.550 27 G N -0.391 108.417 108.800 0.014 0.000 2.356 27 G HA2 0.391 4.377 3.960 0.044 0.000 0.288 27 G HA3 0.391 4.377 3.960 0.044 0.000 0.288 27 G C -3.477 171.408 174.900 -0.025 0.000 1.302 27 G CA -0.619 44.484 45.100 0.006 0.000 0.887 27 G HN 0.060 nan 8.290 nan 0.000 0.521 28 P HA 0.628 nan 4.420 nan 0.000 0.285 28 P C -0.337 176.961 177.300 -0.003 0.000 1.269 28 P CA -0.603 62.420 63.100 -0.128 0.000 0.844 28 P CB 1.878 33.344 31.700 -0.390 0.000 1.094 29 V N -2.068 117.844 119.914 -0.005 0.000 3.007 29 V HA 0.648 4.794 4.120 0.044 0.000 0.311 29 V C -0.452 175.716 176.094 0.123 0.000 1.120 29 V CA -0.873 61.509 62.300 0.137 0.000 0.980 29 V CB 1.751 33.665 31.823 0.151 0.000 1.033 29 V HN 0.418 nan 8.190 nan 0.000 0.429 30 S N 2.305 118.135 115.700 0.216 0.000 2.452 30 S HA 0.809 5.305 4.470 0.044 0.000 0.284 30 S C 0.125 174.654 174.600 -0.118 0.000 1.171 30 S CA 0.044 58.272 58.200 0.046 0.000 1.064 30 S CB 1.080 64.396 63.200 0.193 0.000 0.967 30 S HN 1.541 nan 8.310 nan 0.000 0.484 31 A N 3.177 125.743 122.820 -0.423 0.000 2.318 31 A HA 0.781 5.127 4.320 0.044 0.000 0.317 31 A C -0.993 176.118 177.584 -0.789 0.000 1.159 31 A CA -0.660 51.028 52.037 -0.583 0.000 0.799 31 A CB 0.265 18.906 19.000 -0.599 0.000 1.194 31 A HN 0.684 nan 8.150 nan 0.000 0.479 32 F N 3.189 122.966 119.950 -0.287 0.000 2.311 32 F HA 0.469 5.023 4.527 0.044 0.000 0.371 32 F C -0.129 175.479 175.800 -0.319 0.000 1.083 32 F CA -0.403 57.497 58.000 -0.167 0.000 1.113 32 F CB 0.978 40.037 39.000 0.099 0.000 1.349 32 F HN 0.338 nan 8.300 nan 0.000 0.470 33 L N 1.906 122.964 121.223 -0.275 0.000 2.334 33 L HA 0.751 5.118 4.340 0.044 0.000 0.275 33 L C 0.998 177.750 176.870 -0.197 0.000 1.036 33 L CA -1.090 53.527 54.840 -0.371 0.000 0.807 33 L CB 1.568 43.188 42.059 -0.733 0.000 1.231 33 L HN 0.811 nan 8.230 nan 0.000 0.438 34 G N 2.563 111.305 108.800 -0.098 0.000 2.225 34 G HA2 -0.250 3.736 3.960 0.044 0.000 0.264 34 G HA3 -0.250 3.736 3.960 0.044 0.000 0.264 34 G C -0.153 174.727 174.900 -0.034 0.000 1.060 34 G CA -0.291 44.737 45.100 -0.119 0.000 0.833 34 G HN 0.468 nan 8.290 nan 0.000 0.498 35 I N 1.940 122.539 120.570 0.048 0.000 2.416 35 I HA 0.275 4.472 4.170 0.044 0.000 0.288 35 I C -1.535 174.653 176.117 0.118 0.000 1.051 35 I CA -2.229 59.091 61.300 0.034 0.000 1.375 35 I CB 1.193 39.165 38.000 -0.047 0.000 1.407 35 I HN -0.034 nan 8.210 nan 0.000 0.516 36 P HA 0.115 nan 4.420 nan 0.000 0.286 36 P C -0.285 176.951 177.300 -0.107 0.000 1.269 36 P CA -0.149 62.875 63.100 -0.127 0.000 0.787 36 P CB 0.639 32.264 31.700 -0.124 0.000 0.920 37 F N 0.866 120.670 119.950 -0.245 0.000 2.706 37 F HA 0.716 5.269 4.527 0.044 0.000 0.308 37 F C 0.184 175.980 175.800 -0.006 0.000 1.095 37 F CA -0.701 57.221 58.000 -0.131 0.000 1.244 37 F CB 0.147 38.979 39.000 -0.281 0.000 1.063 37 F HN 0.291 nan 8.300 nan 0.000 0.582 38 A N 0.202 122.732 122.820 -0.485 0.000 2.515 38 A HA 0.581 4.927 4.320 0.044 0.000 0.296 38 A C -0.687 176.744 177.584 -0.255 0.000 1.094 38 A CA -0.783 51.082 52.037 -0.287 0.000 0.718 38 A CB 0.960 19.735 19.000 -0.375 0.000 1.307 38 A HN 0.062 nan 8.150 nan 0.000 0.408 39 E N 1.240 121.367 120.200 -0.121 0.000 2.452 39 E HA 0.162 4.538 4.350 0.044 0.000 0.261 39 E C -2.279 174.219 176.600 -0.171 0.000 0.987 39 E CA -1.117 55.220 56.400 -0.105 0.000 0.926 39 E CB -0.141 29.533 29.700 -0.043 0.000 0.934 39 E HN 0.232 nan 8.360 nan 0.000 0.452 40 P HA 0.010 nan 4.420 nan 0.000 0.262 40 P C -2.197 175.023 177.300 -0.134 0.000 1.199 40 P CA -0.757 62.237 63.100 -0.176 0.000 0.763 40 P CB -0.027 31.603 31.700 -0.117 0.000 0.790 41 P HA 0.017 nan 4.420 nan 0.000 0.220 41 P C -0.354 176.871 177.300 -0.125 0.000 1.806 41 P CA 0.049 63.080 63.100 -0.115 0.000 0.976 41 P CB -0.098 31.536 31.700 -0.110 0.000 1.952 42 V N -2.481 117.366 119.914 -0.111 0.000 2.975 42 V HA 0.892 5.038 4.120 0.044 0.000 0.318 42 V C 0.993 177.032 176.094 -0.092 0.000 1.077 42 V CA 0.136 62.367 62.300 -0.115 0.000 1.000 42 V CB 0.811 32.573 31.823 -0.102 0.000 1.066 42 V HN 0.555 nan 8.190 nan 0.000 0.452 43 G N 2.609 111.354 108.800 -0.093 0.000 2.574 43 G HA2 -0.344 3.642 3.960 0.044 0.000 0.301 43 G HA3 -0.344 3.642 3.960 0.044 0.000 0.301 43 G C 1.196 176.058 174.900 -0.062 0.000 1.166 43 G CA 1.465 46.526 45.100 -0.066 0.000 0.971 43 G HN 2.355 nan 8.290 nan 0.000 0.542 44 S N 0.629 116.307 115.700 -0.036 0.000 2.603 44 S HA 0.170 4.666 4.470 0.044 0.000 0.220 44 S C 1.871 176.459 174.600 -0.019 0.000 0.967 44 S CA 1.289 59.480 58.200 -0.016 0.000 0.920 44 S CB 0.036 63.236 63.200 -0.000 0.000 0.773 44 S HN 0.561 nan 8.310 nan 0.000 0.529 45 R N 1.148 121.621 120.500 -0.046 0.000 2.300 45 R HA 0.253 4.619 4.340 0.044 0.000 0.199 45 R C 0.791 177.041 176.300 -0.084 0.000 0.920 45 R CA -0.133 55.939 56.100 -0.046 0.000 1.046 45 R CB -0.388 29.883 30.300 -0.048 0.000 0.984 45 R HN 0.502 nan 8.270 nan 0.000 0.493 46 R N 0.802 121.203 120.500 -0.163 0.000 2.537 46 R HA -0.149 4.217 4.340 0.044 0.000 0.281 46 R C -0.240 175.864 176.300 -0.326 0.000 0.988 46 R CA 0.563 56.440 56.100 -0.372 0.000 1.077 46 R CB 0.027 29.974 30.300 -0.588 0.000 0.932 46 R HN 0.073 nan 8.270 nan 0.000 0.409 47 F N -0.492 119.470 119.950 0.020 0.000 2.748 47 F HA -0.291 4.262 4.527 0.043 0.000 0.370 47 F C -0.031 175.759 175.800 -0.017 0.000 0.620 47 F CA 0.554 58.542 58.000 -0.020 0.000 1.233 47 F CB -1.490 37.487 39.000 -0.039 0.000 1.708 47 F HN 0.452 nan 8.300 nan 0.000 0.298 48 M N 1.267 120.931 119.600 0.107 0.000 2.478 48 M HA 0.421 4.928 4.480 0.044 0.000 0.327 48 M C -2.003 174.327 176.300 0.050 0.000 1.187 48 M CA -1.711 53.634 55.300 0.074 0.000 1.022 48 M CB 0.816 33.446 32.600 0.049 0.000 1.629 48 M HN -0.355 nan 8.290 nan 0.000 0.461 49 P HA 0.107 nan 4.420 nan 0.000 0.265 49 P C -2.480 174.850 177.300 0.051 0.000 1.187 49 P CA -0.619 62.517 63.100 0.060 0.000 0.766 49 P CB -0.806 30.938 31.700 0.073 0.000 0.820 50 P HA 0.153 nan 4.420 nan 0.000 0.271 50 P C -0.471 176.864 177.300 0.058 0.000 1.216 50 P CA 0.147 63.273 63.100 0.043 0.000 0.771 50 P CB 0.864 32.608 31.700 0.074 0.000 0.864 51 E N 4.196 124.416 120.200 0.033 0.000 2.231 51 E HA 0.335 4.711 4.350 0.044 0.000 0.277 51 E C -2.092 174.545 176.600 0.062 0.000 0.999 51 E CA -2.395 54.034 56.400 0.049 0.000 0.827 51 E CB 0.319 30.038 29.700 0.033 0.000 1.101 51 E HN 0.400 nan 8.360 nan 0.000 0.393 52 P HA -0.089 nan 4.420 nan 0.000 0.265 52 P C -0.520 176.851 177.300 0.118 0.000 1.187 52 P CA -0.068 63.114 63.100 0.138 0.000 0.766 52 P CB 0.502 32.289 31.700 0.145 0.000 0.820 53 K N 3.680 124.174 120.400 0.155 0.000 2.448 53 K HA 0.020 4.366 4.320 0.044 0.000 0.278 53 K C 0.258 176.977 176.600 0.199 0.000 1.009 53 K CA 0.269 56.652 56.287 0.161 0.000 0.995 53 K CB 0.163 32.799 32.500 0.228 0.000 0.917 53 K HN 0.274 nan 8.250 nan 0.000 0.481 54 R N 4.931 125.534 120.500 0.171 0.000 2.543 54 R HA 0.152 4.518 4.340 0.044 0.000 0.277 54 R C -2.027 174.411 176.300 0.231 0.000 1.074 54 R CA -1.675 54.519 56.100 0.156 0.000 1.076 54 R CB 0.138 30.508 30.300 0.116 0.000 0.993 54 R HN 0.573 nan 8.270 nan 0.000 0.459 55 P HA -0.136 nan 4.420 nan 0.000 0.263 55 P C -1.126 176.225 177.300 0.086 0.000 1.175 55 P CA 0.437 63.503 63.100 -0.056 0.000 0.761 55 P CB 0.250 31.883 31.700 -0.111 0.000 0.794 56 W N 1.747 123.082 121.300 0.059 0.000 2.762 56 W HA 0.705 5.391 4.660 0.044 0.000 0.355 56 W C -0.490 176.054 176.519 0.043 0.000 1.124 56 W CA -0.996 56.380 57.345 0.051 0.000 1.141 56 W CB 0.138 29.636 29.460 0.064 0.000 1.432 56 W HN 0.380 nan 8.180 nan 0.000 0.586 57 S N 1.172 117.038 115.700 0.277 0.000 2.651 57 S HA 0.804 5.301 4.470 0.044 0.000 0.291 57 S C 0.602 175.344 174.600 0.236 0.000 1.141 57 S CA 0.051 58.343 58.200 0.153 0.000 1.027 57 S CB 0.861 64.126 63.200 0.108 0.000 1.043 57 S HN 2.135 nan 8.310 nan 0.000 0.530 58 G N 0.328 109.214 108.800 0.143 0.000 2.564 58 G HA2 -0.192 3.794 3.960 0.044 0.000 0.273 58 G HA3 -0.192 3.794 3.960 0.044 0.000 0.273 58 G C -0.541 174.491 174.900 0.220 0.000 1.242 58 G CA -0.078 45.110 45.100 0.147 0.000 0.951 58 G HN 1.730 nan 8.290 nan 0.000 0.564 59 V N 0.707 120.732 119.914 0.186 0.000 2.334 59 V HA 0.532 4.678 4.120 0.044 0.000 0.281 59 V C 0.479 176.668 176.094 0.158 0.000 1.016 59 V CA -0.426 61.993 62.300 0.198 0.000 0.832 59 V CB 1.186 33.084 31.823 0.125 0.000 0.999 59 V HN 0.799 nan 8.190 nan 0.000 0.439 60 L N 4.246 125.573 121.223 0.173 0.000 2.360 60 L HA 0.354 4.720 4.340 0.044 0.000 0.276 60 L C 0.343 177.197 176.870 -0.027 0.000 1.121 60 L CA 0.270 55.072 54.840 -0.064 0.000 0.845 60 L CB 0.821 42.598 42.059 -0.470 0.000 1.143 60 L HN 0.761 nan 8.230 nan 0.000 0.452 61 D N 4.479 124.843 120.400 -0.061 0.000 2.346 61 D HA 0.349 5.015 4.640 0.044 0.000 0.260 61 D C -0.223 176.028 176.300 -0.081 0.000 1.252 61 D CA 0.322 54.290 54.000 -0.053 0.000 0.895 61 D CB 0.914 41.675 40.800 -0.066 0.000 1.097 61 D HN 0.629 nan 8.370 nan 0.000 0.489 62 A N 3.333 126.128 122.820 -0.042 0.000 3.201 62 A HA 0.322 4.668 4.320 0.044 0.000 0.312 62 A C 0.850 178.352 177.584 -0.137 0.000 1.011 62 A CA -0.241 51.762 52.037 -0.057 0.000 0.987 62 A CB -0.163 18.892 19.000 0.091 0.000 1.060 62 A HN 0.572 nan 8.150 nan 0.000 0.505 63 T N -4.001 110.447 114.554 -0.176 0.000 3.040 63 T HA 0.314 4.690 4.350 0.044 0.000 0.266 63 T C 0.517 175.056 174.700 -0.268 0.000 1.005 63 T CA 0.593 62.560 62.100 -0.221 0.000 0.906 63 T CB 0.282 69.055 68.868 -0.159 0.000 1.082 63 T HN 0.373 nan 8.240 nan 0.000 0.531 64 T N 0.720 115.113 114.554 -0.269 0.000 2.903 64 T HA 0.621 4.997 4.350 0.044 0.000 0.299 64 T C -1.364 173.160 174.700 -0.293 0.000 1.093 64 T CA -0.801 61.133 62.100 -0.275 0.000 1.002 64 T CB 0.671 69.446 68.868 -0.155 0.000 1.127 64 T HN 0.096 nan 8.240 nan 0.000 0.488 65 F N 3.086 122.962 119.950 -0.123 0.000 2.563 65 F HA 0.286 4.840 4.527 0.044 0.000 0.363 65 F C 1.466 177.165 175.800 -0.168 0.000 1.123 65 F CA -0.013 57.916 58.000 -0.118 0.000 1.307 65 F CB 0.524 39.485 39.000 -0.064 0.000 1.115 65 F HN 0.417 nan 8.300 nan 0.000 0.592 66 Q N 1.405 121.209 119.800 0.006 0.000 2.189 66 Q HA 0.200 4.566 4.340 0.044 0.000 0.193 66 Q C -0.152 175.806 176.000 -0.070 0.000 1.034 66 Q CA -0.688 54.985 55.803 -0.216 0.000 1.062 66 Q CB 0.485 28.804 28.738 -0.697 0.000 1.118 66 Q HN 0.506 nan 8.270 nan 0.000 0.569 67 N N -0.114 118.537 118.700 -0.082 0.000 2.441 67 N HA 0.029 4.795 4.740 0.044 0.000 0.251 67 N C -0.559 174.961 175.510 0.017 0.000 1.242 67 N CA 0.084 53.125 53.050 -0.016 0.000 0.898 67 N CB 0.454 38.942 38.487 0.001 0.000 1.100 67 N HN 0.172 nan 8.380 nan 0.000 0.443 68 V N 2.032 121.926 119.914 -0.033 0.000 2.614 68 V HA 0.021 4.167 4.120 0.044 0.000 0.291 68 V C 0.764 176.828 176.094 -0.050 0.000 1.049 68 V CA -0.740 61.522 62.300 -0.064 0.000 1.038 68 V CB 0.595 32.344 31.823 -0.124 0.000 0.980 68 V HN 0.701 nan 8.190 nan 0.000 0.481 69 c N 4.553 123.128 118.600 -0.042 0.000 2.634 69 c HA 0.057 4.653 4.570 0.044 0.000 0.417 69 c C 0.513 174.570 174.090 -0.055 0.000 1.334 69 c CA -0.541 55.767 56.329 -0.035 0.000 1.829 69 c CB -1.009 41.499 42.510 -0.003 0.000 2.665 69 c HN 0.743 nan 8.230 nan 0.000 0.614 70 Y N 4.197 124.368 120.300 -0.215 0.000 2.650 70 Y HA 0.251 4.827 4.550 0.044 0.000 0.331 70 Y C 0.766 176.698 175.900 0.052 0.000 1.165 70 Y CA 0.964 58.940 58.100 -0.207 0.000 1.473 70 Y CB 0.020 38.135 38.460 -0.575 0.000 1.224 70 Y HN 0.735 nan 8.280 nan 0.000 0.533 71 Q N 4.387 124.065 119.800 -0.204 0.000 2.534 71 Q HA 0.241 4.607 4.340 0.044 0.000 0.290 71 Q C -1.665 174.395 176.000 0.100 0.000 0.991 71 Q CA -1.247 54.626 55.803 0.117 0.000 0.783 71 Q CB 1.433 30.245 28.738 0.125 0.000 1.470 71 Q HN 0.652 nan 8.270 nan 0.000 0.406 72 Y N 1.006 121.449 120.300 0.239 0.000 2.702 72 Y HA 0.282 4.858 4.550 0.043 0.000 0.336 72 Y C -0.962 175.073 175.900 0.226 0.000 1.235 72 Y CA 0.412 58.684 58.100 0.286 0.000 1.492 72 Y CB 0.811 39.581 38.460 0.517 0.000 1.308 72 Y HN 0.424 nan 8.280 nan 0.000 0.589 73 V N 6.585 126.176 119.914 -0.539 0.000 2.448 73 V HA 0.115 4.261 4.120 0.044 0.000 0.295 73 V C -0.590 175.164 176.094 -0.567 0.000 1.025 73 V CA -1.073 61.013 62.300 -0.357 0.000 0.859 73 V CB 1.561 33.244 31.823 -0.233 0.000 0.988 73 V HN 0.799 nan 8.190 nan 0.000 0.431 74 D N 2.965 123.311 120.400 -0.090 0.000 2.425 74 D HA 0.252 4.918 4.640 0.044 0.000 0.247 74 D C 1.081 177.415 176.300 0.057 0.000 1.147 74 D CA 0.785 54.863 54.000 0.130 0.000 0.879 74 D CB 1.292 42.324 40.800 0.386 0.000 1.179 74 D HN 0.780 nan 8.370 nan 0.000 0.456 75 T N 0.782 115.376 114.554 0.067 0.000 2.958 75 T HA -0.026 4.351 4.350 0.044 0.000 0.256 75 T C 1.686 176.387 174.700 0.000 0.000 0.983 75 T CA -0.370 61.742 62.100 0.019 0.000 0.924 75 T CB -0.223 68.635 68.868 -0.016 0.000 1.136 75 T HN 0.294 nan 8.240 nan 0.000 0.506 76 L N 0.837 122.044 121.223 -0.026 0.000 2.137 76 L HA 0.028 4.395 4.340 0.044 0.000 0.213 76 L C -0.198 176.380 176.870 -0.487 0.000 1.085 76 L CA 1.648 56.306 54.840 -0.304 0.000 0.760 76 L CB -0.639 41.129 42.059 -0.484 0.000 0.893 76 L HN 0.448 nan 8.230 nan 0.000 0.434 77 Y N -0.770 119.543 120.300 0.021 0.000 2.535 77 Y HA 0.418 4.994 4.550 0.044 0.000 0.351 77 Y C -2.244 173.688 175.900 0.054 0.000 1.050 77 Y CA -3.211 54.890 58.100 0.000 0.000 1.168 77 Y CB -0.062 38.385 38.460 -0.022 0.000 1.116 77 Y HN 0.047 nan 8.280 nan 0.000 0.654 78 P HA 0.173 nan 4.420 nan 0.000 0.267 78 P C 1.035 178.391 177.300 0.093 0.000 1.205 78 P CA 1.314 64.467 63.100 0.088 0.000 0.765 78 P CB 0.899 32.621 31.700 0.037 0.000 0.828 79 G N 2.291 111.134 108.800 0.071 0.000 2.205 79 G HA2 -0.290 3.696 3.960 0.044 0.000 0.261 79 G HA3 -0.290 3.696 3.960 0.044 0.000 0.261 79 G C -0.041 174.900 174.900 0.068 0.000 0.980 79 G CA -0.362 44.765 45.100 0.044 0.000 0.632 79 G HN 0.542 nan 8.290 nan 0.000 0.533 80 F N 2.043 121.947 119.950 -0.076 0.000 2.445 80 F HA 0.629 5.182 4.527 0.043 0.000 0.359 80 F C 1.304 176.997 175.800 -0.178 0.000 1.101 80 F CA -0.712 57.191 58.000 -0.162 0.000 1.177 80 F CB 1.415 40.282 39.000 -0.221 0.000 1.110 80 F HN 0.086 nan 8.300 nan 0.000 0.522 81 E N 3.879 123.678 120.200 -0.668 0.000 2.204 81 E HA -0.055 4.322 4.350 0.044 0.000 0.195 81 E C 2.201 178.327 176.600 -0.790 0.000 0.990 81 E CA 1.644 57.682 56.400 -0.604 0.000 0.821 81 E CB -0.445 28.989 29.700 -0.443 0.000 0.750 81 E HN 0.888 nan 8.360 nan 0.000 0.477 82 G N -0.731 107.098 108.800 -1.617 0.000 2.448 82 G HA2 -0.280 3.707 3.960 0.044 0.000 0.219 82 G HA3 -0.280 3.707 3.960 0.044 0.000 0.219 82 G C 1.655 176.471 174.900 -0.140 0.000 1.127 82 G CA 1.615 45.991 45.100 -1.206 0.000 0.766 82 G HN 0.487 nan 8.290 nan 0.000 0.552 83 T N -2.043 112.430 114.554 -0.134 0.000 3.042 83 T HA 0.130 4.506 4.350 0.044 0.000 0.245 83 T C 1.866 176.695 174.700 0.215 0.000 1.029 83 T CA 0.658 62.992 62.100 0.389 0.000 1.120 83 T CB 0.031 69.192 68.868 0.489 0.000 0.917 83 T HN 0.146 nan 8.240 nan 0.000 0.467 84 E N 2.300 122.492 120.200 -0.013 0.000 2.265 84 E HA -0.085 4.291 4.350 0.044 0.000 0.196 84 E C 2.199 178.695 176.600 -0.174 0.000 0.996 84 E CA 1.190 57.551 56.400 -0.066 0.000 0.832 84 E CB -0.497 29.138 29.700 -0.109 0.000 0.756 84 E HN 0.796 nan 8.360 nan 0.000 0.491 85 M N -2.348 117.058 119.600 -0.323 0.000 2.374 85 M HA -0.053 4.453 4.480 0.044 0.000 0.264 85 M C 1.252 177.130 176.300 -0.703 0.000 1.067 85 M CA 1.392 56.337 55.300 -0.590 0.000 1.103 85 M CB -0.531 31.598 32.600 -0.785 0.000 1.402 85 M HN -0.004 nan 8.290 nan 0.000 0.444 86 W N 1.072 122.315 121.300 -0.096 0.000 3.278 86 W HA 0.297 4.982 4.660 0.043 0.000 0.308 86 W C 0.336 176.794 176.519 -0.101 0.000 1.253 86 W CA -0.953 56.328 57.345 -0.106 0.000 1.759 86 W CB -0.192 29.257 29.460 -0.019 0.000 1.093 86 W HN 0.100 nan 8.180 nan 0.000 0.648 87 N N 1.495 120.223 118.700 0.048 0.000 2.467 87 N HA 0.164 4.930 4.740 0.044 0.000 0.262 87 N C -2.435 173.022 175.510 -0.088 0.000 1.234 87 N CA -1.612 51.438 53.050 0.001 0.000 0.952 87 N CB -0.064 38.420 38.487 -0.004 0.000 1.158 87 N HN -0.346 nan 8.380 nan 0.000 0.463 88 P HA 0.052 nan 4.420 nan 0.000 0.264 88 P C 0.205 177.423 177.300 -0.138 0.000 1.193 88 P CA 0.055 63.072 63.100 -0.138 0.000 0.763 88 P CB 0.284 31.902 31.700 -0.137 0.000 0.810 89 N N 2.400 121.002 118.700 -0.163 0.000 2.204 89 N HA 0.080 4.846 4.740 0.044 0.000 0.219 89 N C 0.130 175.572 175.510 -0.115 0.000 1.151 89 N CA 0.000 52.962 53.050 -0.148 0.000 0.867 89 N CB 0.359 38.733 38.487 -0.187 0.000 1.043 89 N HN 0.148 nan 8.380 nan 0.000 0.516 90 R N -0.033 120.402 120.500 -0.109 0.000 2.831 90 R HA 0.330 4.696 4.340 0.044 0.000 0.266 90 R C -0.418 175.838 176.300 -0.072 0.000 1.051 90 R CA -0.624 55.431 56.100 -0.074 0.000 0.943 90 R CB 0.675 30.939 30.300 -0.060 0.000 1.228 90 R HN 0.082 nan 8.270 nan 0.000 0.467 91 E N 1.623 121.792 120.200 -0.052 0.000 2.413 91 E HA 0.080 4.456 4.350 0.044 0.000 0.263 91 E C 0.036 176.611 176.600 -0.041 0.000 1.015 91 E CA 0.132 56.507 56.400 -0.042 0.000 0.916 91 E CB 0.430 30.114 29.700 -0.026 0.000 0.947 91 E HN 0.275 nan 8.360 nan 0.000 0.440 92 L N 1.760 122.959 121.223 -0.041 0.000 2.417 92 L HA 0.255 4.621 4.340 0.044 0.000 0.268 92 L C 0.762 177.687 176.870 0.093 0.000 1.158 92 L CA 0.076 54.896 54.840 -0.034 0.000 0.819 92 L CB 0.786 42.726 42.059 -0.197 0.000 1.112 92 L HN 0.401 nan 8.230 nan 0.000 0.458 93 S N 0.461 116.225 115.700 0.108 0.000 2.565 93 S HA 0.172 4.668 4.470 0.044 0.000 0.274 93 S C 0.017 174.597 174.600 -0.035 0.000 1.144 93 S CA -0.658 57.574 58.200 0.054 0.000 0.849 93 S CB 1.533 64.741 63.200 0.015 0.000 1.103 93 S HN 0.739 nan 8.310 nan 0.000 0.455 94 E N 0.796 120.899 120.200 -0.161 0.000 2.427 94 E HA -0.009 4.367 4.350 0.044 0.000 0.196 94 E C -0.382 176.126 176.600 -0.154 0.000 1.028 94 E CA 0.306 56.550 56.400 -0.259 0.000 0.864 94 E CB 0.160 29.644 29.700 -0.360 0.000 0.813 94 E HN 0.510 nan 8.360 nan 0.000 0.514 95 D N 0.346 120.695 120.400 -0.085 0.000 2.517 95 D HA -0.007 4.659 4.640 0.044 0.000 0.220 95 D C 0.019 176.357 176.300 0.063 0.000 1.158 95 D CA -0.263 53.715 54.000 -0.037 0.000 0.992 95 D CB -0.063 40.740 40.800 0.005 0.000 1.058 95 D HN 0.146 nan 8.370 nan 0.000 0.516 96 c N 2.229 120.814 118.600 -0.024 0.000 3.772 96 c HA 0.395 4.991 4.570 0.044 0.000 0.293 96 c C 0.687 174.752 174.090 -0.042 0.000 1.659 96 c CA -0.682 55.699 56.329 0.087 0.000 1.810 96 c CB -1.265 41.270 42.510 0.041 0.000 3.059 96 c HN 0.416 nan 8.230 nan 0.000 0.617 97 L N 2.580 123.502 121.223 -0.502 0.000 2.399 97 L HA 0.395 4.762 4.340 0.044 0.000 0.257 97 L C -1.008 175.139 176.870 -1.205 0.000 1.236 97 L CA 0.458 54.820 54.840 -0.796 0.000 1.144 97 L CB -0.639 40.877 42.059 -0.905 0.000 1.379 97 L HN 0.395 nan 8.230 nan 0.000 0.414 98 Y N 1.614 121.849 120.300 -0.109 0.000 2.512 98 Y HA 0.593 5.169 4.550 0.043 0.000 0.348 98 Y C -0.085 176.019 175.900 0.340 0.000 0.990 98 Y CA -1.284 56.852 58.100 0.061 0.000 1.033 98 Y CB 1.960 40.417 38.460 -0.005 0.000 1.259 98 Y HN 0.184 nan 8.280 nan 0.000 0.461 99 L N 0.163 121.604 121.223 0.362 0.000 2.301 99 L HA 0.786 5.152 4.340 0.044 0.000 0.264 99 L C -1.130 175.761 176.870 0.036 0.000 1.016 99 L CA -1.121 53.801 54.840 0.136 0.000 0.821 99 L CB 1.584 43.546 42.059 -0.162 0.000 1.346 99 L HN 0.457 nan 8.230 nan 0.000 0.429 100 N N 0.435 119.164 118.700 0.047 0.000 2.284 100 N HA 0.673 5.439 4.740 0.044 0.000 0.300 100 N C -1.449 173.990 175.510 -0.118 0.000 1.047 100 N CA -0.430 52.557 53.050 -0.106 0.000 0.821 100 N CB 2.774 41.189 38.487 -0.119 0.000 1.337 100 N HN 0.501 nan 8.380 nan 0.000 0.482 101 V N 1.689 121.465 119.914 -0.230 0.000 2.487 101 V HA 0.451 4.597 4.120 0.044 0.000 0.298 101 V C -0.696 175.374 176.094 -0.040 0.000 1.028 101 V CA -0.780 61.477 62.300 -0.071 0.000 0.860 101 V CB 1.953 33.591 31.823 -0.309 0.000 0.991 101 V HN 0.538 nan 8.190 nan 0.000 0.427 102 W N 3.019 124.427 121.300 0.180 0.000 2.573 102 W HA 0.666 5.353 4.660 0.044 0.000 0.326 102 W C 0.222 176.863 176.519 0.203 0.000 1.049 102 W CA -0.446 57.007 57.345 0.179 0.000 1.220 102 W CB 2.430 31.970 29.460 0.132 0.000 1.373 102 W HN 0.640 nan 8.180 nan 0.000 0.507 103 T N -0.011 114.809 114.554 0.444 0.000 2.901 103 T HA 0.561 4.938 4.350 0.044 0.000 0.293 103 T C -2.628 172.251 174.700 0.300 0.000 1.084 103 T CA -2.269 60.045 62.100 0.357 0.000 1.008 103 T CB 2.312 71.418 68.868 0.397 0.000 1.170 103 T HN 0.035 nan 8.240 nan 0.000 0.509 104 P HA 0.210 nan 4.420 nan 0.000 0.272 104 P C -1.514 175.930 177.300 0.240 0.000 1.240 104 P CA -0.315 62.909 63.100 0.206 0.000 0.791 104 P CB 0.319 32.109 31.700 0.149 0.000 0.978 105 Y N 1.801 122.156 120.300 0.091 0.000 2.326 105 Y HA 0.387 4.963 4.550 0.044 0.000 0.329 105 Y C -2.107 173.827 175.900 0.058 0.000 0.973 105 Y CA -2.372 55.773 58.100 0.076 0.000 1.162 105 Y CB 1.282 39.773 38.460 0.053 0.000 1.147 105 Y HN 0.292 nan 8.280 nan 0.000 0.456 106 P HA 0.160 nan 4.420 nan 0.000 0.274 106 P C -0.950 176.301 177.300 -0.083 0.000 1.246 106 P CA -0.513 62.386 63.100 -0.335 0.000 0.795 106 P CB 0.879 32.436 31.700 -0.238 0.000 1.006 107 R N 0.794 121.260 120.500 -0.056 0.000 2.643 107 R HA 0.243 4.609 4.340 0.044 0.000 0.270 107 R C -2.302 174.027 176.300 0.049 0.000 1.061 107 R CA -1.482 54.655 56.100 0.062 0.000 1.107 107 R CB -1.405 28.960 30.300 0.107 0.000 0.999 107 R HN 0.287 nan 8.270 nan 0.000 0.460 108 P HA -0.085 nan 4.420 nan 0.000 0.263 108 P C 0.141 177.463 177.300 0.038 0.000 1.175 108 P CA 0.596 63.733 63.100 0.062 0.000 0.761 108 P CB 0.614 32.361 31.700 0.078 0.000 0.794 109 A N 2.785 125.620 122.820 0.025 0.000 1.972 109 A HA -0.018 4.328 4.320 0.044 0.000 0.219 109 A C 0.936 178.529 177.584 0.015 0.000 1.169 109 A CA 1.658 53.704 52.037 0.014 0.000 0.635 109 A CB -0.589 18.417 19.000 0.010 0.000 0.810 109 A HN 0.639 nan 8.150 nan 0.000 0.446 110 S N -1.839 113.874 115.700 0.021 0.000 2.599 110 S HA 0.626 5.122 4.470 0.044 0.000 0.287 110 S C -3.242 171.375 174.600 0.028 0.000 1.105 110 S CA -1.943 56.268 58.200 0.018 0.000 0.899 110 S CB 1.242 64.450 63.200 0.013 0.000 1.100 110 S HN -0.046 nan 8.310 nan 0.000 0.482 111 P HA 0.072 nan 4.420 nan 0.000 0.259 111 P C -0.677 176.645 177.300 0.037 0.000 1.155 111 P CA 0.710 63.829 63.100 0.032 0.000 0.759 111 P CB -0.048 31.663 31.700 0.018 0.000 0.753 112 T N 5.561 120.149 114.554 0.056 0.000 2.824 112 T HA 0.407 4.783 4.350 0.044 0.000 0.282 112 T C -2.514 172.225 174.700 0.065 0.000 0.993 112 T CA -1.878 60.258 62.100 0.059 0.000 0.967 112 T CB 1.229 70.144 68.868 0.079 0.000 0.960 112 T HN 0.101 nan 8.240 nan 0.000 0.441 113 P HA 0.074 nan 4.420 nan 0.000 0.263 113 P C -0.829 176.519 177.300 0.080 0.000 1.175 113 P CA -0.112 63.019 63.100 0.051 0.000 0.761 113 P CB 0.367 32.079 31.700 0.021 0.000 0.794 114 V N 5.206 125.183 119.914 0.104 0.000 2.435 114 V HA 0.309 4.455 4.120 0.044 0.000 0.290 114 V C 0.349 176.528 176.094 0.141 0.000 1.030 114 V CA -0.474 61.907 62.300 0.135 0.000 0.881 114 V CB 1.180 33.094 31.823 0.152 0.000 0.983 114 V HN 0.350 nan 8.190 nan 0.000 0.445 115 L N 5.840 127.158 121.223 0.159 0.000 2.296 115 L HA 0.598 4.964 4.340 0.044 0.000 0.286 115 L C -0.598 176.506 176.870 0.391 0.000 1.023 115 L CA -0.350 54.608 54.840 0.196 0.000 0.812 115 L CB 1.659 43.718 42.059 -0.000 0.000 1.223 115 L HN 0.492 nan 8.230 nan 0.000 0.421 116 I N 3.049 123.888 120.570 0.448 0.000 2.382 116 I HA 0.212 4.408 4.170 0.044 0.000 0.286 116 I C -0.601 175.782 176.117 0.444 0.000 1.002 116 I CA -0.424 61.108 61.300 0.387 0.000 1.135 116 I CB 1.419 39.521 38.000 0.169 0.000 1.288 116 I HN 0.635 nan 8.210 nan 0.000 0.448 117 W N 8.664 130.070 121.300 0.177 0.000 2.365 117 W HA 0.558 5.244 4.660 0.043 0.000 0.316 117 W C -1.506 174.900 176.519 -0.187 0.000 1.164 117 W CA -0.577 56.628 57.345 -0.233 0.000 1.204 117 W CB 1.217 30.592 29.460 -0.142 0.000 1.213 117 W HN 0.347 nan 8.180 nan 0.000 0.539 118 I N 9.238 129.059 120.570 -1.248 0.000 2.437 118 I HA 0.061 4.257 4.170 0.044 0.000 0.279 118 I C -0.278 174.996 176.117 -1.405 0.000 1.028 118 I CA -1.104 59.582 61.300 -1.024 0.000 1.142 118 I CB 0.496 38.089 38.000 -0.679 0.000 1.266 118 I HN 0.315 nan 8.210 nan 0.000 0.461 119 Y N 4.257 124.046 120.300 -0.851 0.000 2.607 119 Y HA 0.552 5.128 4.550 0.043 0.000 0.348 119 Y C 0.919 176.633 175.900 -0.309 0.000 1.261 119 Y CA -0.539 57.232 58.100 -0.549 0.000 1.480 119 Y CB -0.160 38.242 38.460 -0.097 0.000 1.358 119 Y HN 0.531 nan 8.280 nan 0.000 0.630 120 G N -0.851 107.970 108.800 0.035 0.000 2.543 120 G HA2 0.471 4.458 3.960 0.044 0.000 0.267 120 G HA3 0.471 4.458 3.960 0.044 0.000 0.267 120 G C 0.455 175.313 174.900 -0.070 0.000 1.406 120 G CA -0.863 44.179 45.100 -0.098 0.000 1.048 120 G HN 1.767 nan 8.290 nan 0.000 0.548 121 G N -2.975 105.617 108.800 -0.347 0.000 2.148 121 G HA2 0.380 4.366 3.960 0.044 0.000 0.120 121 G HA3 0.380 4.366 3.960 0.044 0.000 0.120 121 G C 1.097 175.455 174.900 -0.903 0.000 1.034 121 G CA 0.720 45.490 45.100 -0.550 0.000 0.710 121 G HN 2.364 nan 8.290 nan 0.000 0.495 122 G N -0.477 107.806 108.800 -0.862 0.000 2.225 122 G HA2 -0.093 3.893 3.960 0.044 0.000 0.267 122 G HA3 -0.093 3.893 3.960 0.044 0.000 0.267 122 G C 0.881 175.479 174.900 -0.504 0.000 1.024 122 G CA 0.730 45.100 45.100 -1.217 0.000 0.784 122 G HN 1.758 nan 8.290 nan 0.000 0.507 123 F N -3.422 116.412 119.950 -0.192 0.000 2.935 123 F HA -0.337 4.216 4.527 0.044 0.000 0.317 123 F C 1.519 177.449 175.800 0.216 0.000 0.699 123 F CA 2.333 60.357 58.000 0.040 0.000 1.127 123 F CB -2.064 36.795 39.000 -0.235 0.000 1.491 123 F HN 0.926 nan 8.300 nan 0.000 0.337 124 Y N -1.331 119.080 120.300 0.185 0.000 2.426 124 Y HA 0.626 5.202 4.550 0.043 0.000 0.249 124 Y C 0.704 176.736 175.900 0.220 0.000 1.103 124 Y CA 0.310 58.546 58.100 0.227 0.000 1.256 124 Y CB -0.032 38.542 38.460 0.191 0.000 1.208 124 Y HN 0.049 nan 8.280 nan 0.000 0.519 125 S N -0.685 114.795 115.700 -0.368 0.000 2.776 125 S HA 0.912 5.408 4.470 0.044 0.000 0.292 125 S C -0.063 174.388 174.600 -0.248 0.000 1.187 125 S CA -0.566 57.491 58.200 -0.237 0.000 0.834 125 S CB 1.576 64.605 63.200 -0.284 0.000 1.199 125 S HN 1.305 nan 8.310 nan 0.000 0.514 126 G N -0.833 107.785 108.800 -0.302 0.000 2.440 126 G HA2 0.544 4.530 3.960 0.044 0.000 0.684 126 G HA3 0.544 4.530 3.960 0.044 0.000 0.684 126 G C -0.754 173.555 174.900 -0.985 0.000 1.309 126 G CA -0.201 44.556 45.100 -0.572 0.000 0.931 126 G HN 2.200 nan 8.290 nan 0.000 0.612 127 A N -1.277 120.805 122.820 -1.231 0.000 2.590 127 A HA 0.955 5.302 4.320 0.044 0.000 0.296 127 A C 0.453 177.831 177.584 -0.343 0.000 1.050 127 A CA 0.656 52.193 52.037 -0.832 0.000 0.697 127 A CB 0.783 19.551 19.000 -0.387 0.000 1.277 127 A HN 2.603 nan 8.150 nan 0.000 0.411 128 A N 0.581 123.423 122.820 0.037 0.000 2.252 128 A HA 0.337 4.683 4.320 0.044 0.000 0.207 128 A C 1.474 179.112 177.584 0.091 0.000 1.194 128 A CA 1.595 53.850 52.037 0.364 0.000 0.809 128 A CB -0.646 18.644 19.000 0.483 0.000 0.814 128 A HN 1.805 nan 8.150 nan 0.000 0.482 129 S N -0.889 114.632 115.700 -0.299 0.000 2.539 129 S HA 0.346 4.843 4.470 0.044 0.000 0.221 129 S C 0.447 174.641 174.600 -0.677 0.000 0.987 129 S CA -0.479 57.127 58.200 -0.990 0.000 0.929 129 S CB -0.486 62.033 63.200 -1.134 0.000 0.832 129 S HN 0.358 nan 8.310 nan 0.000 0.492 130 L N 2.404 123.353 121.223 -0.457 0.000 2.483 130 L HA 0.154 4.520 4.340 0.044 0.000 0.275 130 L C 1.150 177.678 176.870 -0.570 0.000 1.220 130 L CA -0.427 54.082 54.840 -0.552 0.000 0.833 130 L CB 0.174 41.789 42.059 -0.739 0.000 1.102 130 L HN 0.051 nan 8.230 nan 0.000 0.490 131 D N 0.959 121.070 120.400 -0.481 0.000 2.149 131 D HA -0.146 4.520 4.640 0.044 0.000 0.198 131 D C 2.016 178.032 176.300 -0.473 0.000 0.990 131 D CA 1.394 55.174 54.000 -0.366 0.000 0.839 131 D CB -0.104 40.526 40.800 -0.284 0.000 0.948 131 D HN 0.541 nan 8.370 nan 0.000 0.460 132 V N -1.331 118.149 119.914 -0.723 0.000 3.078 132 V HA -0.166 3.980 4.120 0.044 0.000 0.265 132 V C 1.082 176.589 176.094 -0.978 0.000 1.122 132 V CA 1.083 62.925 62.300 -0.764 0.000 1.141 132 V CB -1.131 30.210 31.823 -0.803 0.000 0.735 132 V HN 0.072 nan 8.190 nan 0.000 0.498 133 Y N -0.049 119.664 120.300 -0.978 0.000 2.524 133 Y HA 0.456 5.032 4.550 0.043 0.000 0.266 133 Y C 0.867 176.103 175.900 -1.107 0.000 1.180 133 Y CA -1.942 55.163 58.100 -1.658 0.000 1.244 133 Y CB -0.830 37.016 38.460 -1.024 0.000 1.125 133 Y HN 0.230 nan 8.280 nan 0.000 0.524 134 D N 0.970 121.049 120.400 -0.536 0.000 2.451 134 D HA 0.039 4.705 4.640 0.044 0.000 0.254 134 D C 1.286 177.289 176.300 -0.496 0.000 1.204 134 D CA 0.556 54.333 54.000 -0.373 0.000 0.896 134 D CB 1.220 41.939 40.800 -0.134 0.000 1.136 134 D HN 0.473 nan 8.370 nan 0.000 0.499 135 G N 4.032 111.996 108.800 -1.392 0.000 3.233 135 G HA2 -0.105 3.881 3.960 0.044 0.000 0.227 135 G HA3 -0.105 3.881 3.960 0.044 0.000 0.227 135 G C 1.462 175.775 174.900 -0.978 0.000 1.175 135 G CA -0.188 44.240 45.100 -1.120 0.000 0.781 135 G HN 0.540 nan 8.290 nan 0.000 0.542 136 R N -0.345 119.580 120.500 -0.957 0.000 2.090 136 R HA 0.008 4.375 4.340 0.044 0.000 0.228 136 R C 1.545 177.607 176.300 -0.397 0.000 1.110 136 R CA 0.870 56.638 56.100 -0.554 0.000 0.973 136 R CB -0.727 29.281 30.300 -0.487 0.000 0.869 136 R HN 0.276 nan 8.270 nan 0.000 0.440 137 F N 2.022 121.890 119.950 -0.137 0.000 2.051 137 F HA -0.067 4.487 4.527 0.044 0.000 0.296 137 F C 2.552 178.303 175.800 -0.082 0.000 1.122 137 F CA 1.161 59.105 58.000 -0.093 0.000 1.201 137 F CB -0.847 38.089 39.000 -0.107 0.000 0.978 137 F HN -0.137 nan 8.300 nan 0.000 0.472 138 L N -0.149 121.122 121.223 0.080 0.000 2.081 138 L HA -0.265 4.101 4.340 0.044 0.000 0.212 138 L C 2.696 179.583 176.870 0.028 0.000 1.080 138 L CA 1.248 56.091 54.840 0.005 0.000 0.754 138 L CB -1.031 40.985 42.059 -0.073 0.000 0.893 138 L HN 0.219 nan 8.230 nan 0.000 0.433 139 A N -1.159 121.680 122.820 0.032 0.000 1.898 139 A HA -0.221 4.125 4.320 0.044 0.000 0.216 139 A C 2.296 179.932 177.584 0.085 0.000 1.181 139 A CA 1.452 53.545 52.037 0.094 0.000 0.620 139 A CB -0.395 18.705 19.000 0.166 0.000 0.819 139 A HN 0.388 nan 8.150 nan 0.000 0.442 140 Q N -0.145 119.689 119.800 0.056 0.000 2.033 140 Q HA -0.052 4.314 4.340 0.044 0.000 0.196 140 Q C 2.206 178.243 176.000 0.063 0.000 0.970 140 Q CA 1.911 57.750 55.803 0.060 0.000 0.828 140 Q CB -0.298 28.460 28.738 0.033 0.000 0.895 140 Q HN 0.403 nan 8.270 nan 0.000 0.440 141 V N 1.382 121.334 119.914 0.063 0.000 2.453 141 V HA -0.121 4.025 4.120 0.044 0.000 0.247 141 V C 1.574 177.689 176.094 0.036 0.000 1.048 141 V CA 1.605 63.935 62.300 0.050 0.000 1.049 141 V CB -0.168 31.682 31.823 0.046 0.000 0.672 141 V HN 0.246 nan 8.190 nan 0.000 0.457 142 E N -0.453 119.769 120.200 0.036 0.000 2.526 142 E HA 0.229 4.605 4.350 0.044 0.000 0.208 142 E C 1.589 178.213 176.600 0.040 0.000 0.997 142 E CA 0.644 57.061 56.400 0.028 0.000 0.961 142 E CB 0.641 30.349 29.700 0.013 0.000 1.030 142 E HN 0.560 nan 8.360 nan 0.000 0.483 143 G N 2.084 110.918 108.800 0.056 0.000 2.283 143 G HA2 -0.315 3.671 3.960 0.044 0.000 0.280 143 G HA3 -0.315 3.671 3.960 0.044 0.000 0.280 143 G C 0.464 175.412 174.900 0.080 0.000 1.029 143 G CA 0.491 45.634 45.100 0.072 0.000 0.840 143 G HN 0.429 nan 8.290 nan 0.000 0.505 144 A N -0.759 122.108 122.820 0.078 0.000 2.354 144 A HA 0.695 5.041 4.320 0.044 0.000 0.269 144 A C 0.518 178.186 177.584 0.140 0.000 1.109 144 A CA -0.114 51.975 52.037 0.086 0.000 0.800 144 A CB 1.252 20.283 19.000 0.051 0.000 1.045 144 A HN 1.079 nan 8.150 nan 0.000 0.489 145 V N 3.629 123.635 119.914 0.153 0.000 2.385 145 V HA 0.279 4.426 4.120 0.044 0.000 0.269 145 V C -0.005 176.225 176.094 0.227 0.000 1.043 145 V CA 0.024 62.445 62.300 0.202 0.000 0.906 145 V CB 0.650 32.581 31.823 0.180 0.000 0.995 145 V HN 0.724 nan 8.190 nan 0.000 0.467 146 L N 6.486 127.900 121.223 0.319 0.000 2.322 146 L HA 0.707 5.073 4.340 0.044 0.000 0.281 146 L C -0.709 176.455 176.870 0.490 0.000 1.014 146 L CA -0.265 54.812 54.840 0.395 0.000 0.815 146 L CB 1.799 44.089 42.059 0.384 0.000 1.247 146 L HN 0.421 nan 8.230 nan 0.000 0.421 147 V N 3.167 123.340 119.914 0.431 0.000 2.628 147 V HA 0.713 4.859 4.120 0.044 0.000 0.306 147 V C -0.378 175.979 176.094 0.438 0.000 1.045 147 V CA -0.429 62.087 62.300 0.359 0.000 0.905 147 V CB 1.953 33.906 31.823 0.217 0.000 0.997 147 V HN 0.858 nan 8.190 nan 0.000 0.436 148 S N 5.048 121.001 115.700 0.422 0.000 2.540 148 S HA 0.877 5.373 4.470 0.044 0.000 0.275 148 S C -0.872 173.894 174.600 0.277 0.000 1.123 148 S CA -0.839 57.612 58.200 0.418 0.000 0.907 148 S CB 2.291 65.870 63.200 0.631 0.000 1.081 148 S HN 0.866 nan 8.310 nan 0.000 0.476 149 M N 1.259 120.985 119.600 0.210 0.000 2.662 149 M HA 0.656 5.162 4.480 0.044 0.000 0.310 149 M C -1.681 174.848 176.300 0.381 0.000 1.204 149 M CA -0.565 54.853 55.300 0.197 0.000 0.891 149 M CB 1.154 33.693 32.600 -0.101 0.000 1.732 149 M HN 0.556 nan 8.290 nan 0.000 0.467 150 N N 2.255 121.238 118.700 0.473 0.000 2.524 150 N HA 0.605 5.371 4.740 0.044 0.000 0.283 150 N C -1.422 174.373 175.510 0.474 0.000 1.142 150 N CA 0.116 53.456 53.050 0.483 0.000 0.984 150 N CB 0.625 39.316 38.487 0.341 0.000 1.155 150 N HN 0.726 nan 8.380 nan 0.000 0.467 151 Y N -2.022 118.467 120.300 0.314 0.000 2.534 151 Y HA 0.538 5.114 4.550 0.043 0.000 0.345 151 Y C -0.213 175.817 175.900 0.217 0.000 1.031 151 Y CA -1.306 56.918 58.100 0.206 0.000 1.022 151 Y CB 0.946 39.457 38.460 0.086 0.000 1.292 151 Y HN 0.201 nan 8.280 nan 0.000 0.459 152 R N 2.260 122.885 120.500 0.209 0.000 2.522 152 R HA 0.447 4.814 4.340 0.044 0.000 0.284 152 R C -0.226 176.194 176.300 0.200 0.000 1.032 152 R CA -0.106 56.072 56.100 0.130 0.000 1.049 152 R CB 0.690 31.034 30.300 0.074 0.000 0.956 152 R HN 0.712 nan 8.270 nan 0.000 0.422 153 V N 0.216 120.295 119.914 0.274 0.000 3.166 153 V HA 0.865 5.011 4.120 0.044 0.000 0.317 153 V C 0.870 177.263 176.094 0.498 0.000 1.136 153 V CA -0.127 62.447 62.300 0.456 0.000 1.035 153 V CB 1.199 33.213 31.823 0.318 0.000 1.110 153 V HN 0.955 nan 8.190 nan 0.000 0.450 154 G N 1.859 110.992 108.800 0.555 0.000 2.582 154 G HA2 -0.330 3.657 3.960 0.044 0.000 0.288 154 G HA3 -0.330 3.657 3.960 0.044 0.000 0.288 154 G C 1.068 176.083 174.900 0.192 0.000 1.247 154 G CA 1.734 47.074 45.100 0.400 0.000 0.972 154 G HN 2.326 nan 8.290 nan 0.000 0.557 155 T N -1.669 112.732 114.554 -0.255 0.000 2.759 155 T HA -0.084 4.292 4.350 0.044 0.000 0.269 155 T C 2.142 176.694 174.700 -0.246 0.000 1.042 155 T CA 2.574 64.281 62.100 -0.655 0.000 1.140 155 T CB -0.410 67.926 68.868 -0.886 0.000 0.864 155 T HN 0.558 nan 8.240 nan 0.000 0.455 156 F N 2.142 122.156 119.950 0.106 0.000 2.216 156 F HA 0.235 4.788 4.527 0.043 0.000 0.300 156 F C 2.773 178.574 175.800 0.001 0.000 1.085 156 F CA 0.762 58.786 58.000 0.039 0.000 1.326 156 F CB -0.948 38.034 39.000 -0.030 0.000 1.027 156 F HN 0.367 nan 8.300 nan 0.000 0.497 157 G N -1.764 107.091 108.800 0.093 0.000 2.545 157 G HA2 -0.012 3.974 3.960 0.044 0.000 0.212 157 G HA3 -0.012 3.974 3.960 0.044 0.000 0.212 157 G C 0.981 175.472 174.900 -0.682 0.000 1.144 157 G CA 0.261 45.139 45.100 -0.370 0.000 0.813 157 G HN 0.333 nan 8.290 nan 0.000 0.531 158 F N -0.441 119.599 119.950 0.151 0.000 2.817 158 F HA 0.446 4.999 4.527 0.044 0.000 0.333 158 F C 0.615 176.490 175.800 0.126 0.000 1.085 158 F CA -1.003 57.068 58.000 0.117 0.000 1.170 158 F CB 0.330 39.408 39.000 0.129 0.000 1.066 158 F HN -0.094 nan 8.300 nan 0.000 0.564 159 L N 2.132 123.398 121.223 0.071 0.000 2.534 159 L HA 0.479 4.845 4.340 0.044 0.000 0.271 159 L C -0.062 176.760 176.870 -0.080 0.000 1.178 159 L CA -0.042 54.728 54.840 -0.117 0.000 0.907 159 L CB 0.226 41.888 42.059 -0.661 0.000 1.164 159 L HN 0.119 nan 8.230 nan 0.000 0.482 160 A N 6.339 129.169 122.820 0.016 0.000 2.393 160 A HA 0.674 5.020 4.320 0.044 0.000 0.306 160 A C -1.113 176.453 177.584 -0.031 0.000 1.050 160 A CA -0.599 51.431 52.037 -0.012 0.000 0.724 160 A CB 1.352 20.377 19.000 0.042 0.000 1.248 160 A HN 0.709 nan 8.150 nan 0.000 0.424 161 L N 3.356 124.547 121.223 -0.054 0.000 2.335 161 L HA 0.329 4.695 4.340 0.044 0.000 0.268 161 L C -2.414 174.447 176.870 -0.016 0.000 1.037 161 L CA -1.863 52.954 54.840 -0.038 0.000 0.895 161 L CB 1.592 43.617 42.059 -0.056 0.000 1.266 161 L HN 0.416 nan 8.230 nan 0.000 0.439 162 P HA 0.051 nan 4.420 nan 0.000 0.262 162 P C 0.950 178.252 177.300 0.004 0.000 1.182 162 P CA 0.810 63.912 63.100 0.004 0.000 0.761 162 P CB 0.911 32.613 31.700 0.003 0.000 0.795 163 G N 1.864 110.670 108.800 0.010 0.000 2.258 163 G HA2 -0.253 3.733 3.960 0.044 0.000 0.233 163 G HA3 -0.253 3.733 3.960 0.044 0.000 0.233 163 G C 0.474 175.381 174.900 0.011 0.000 1.006 163 G CA 0.255 45.361 45.100 0.011 0.000 0.620 163 G HN 0.818 nan 8.290 nan 0.000 0.511 164 S N 0.041 115.745 115.700 0.007 0.000 2.589 164 S HA 0.525 5.021 4.470 0.044 0.000 0.265 164 S C 1.302 175.913 174.600 0.018 0.000 1.342 164 S CA 0.607 58.811 58.200 0.007 0.000 1.005 164 S CB 1.729 64.927 63.200 -0.003 0.000 0.909 164 S HN 0.507 nan 8.310 nan 0.000 0.555 165 R N 0.587 121.099 120.500 0.021 0.000 2.127 165 R HA 0.002 4.368 4.340 0.044 0.000 0.217 165 R C 0.951 177.275 176.300 0.039 0.000 1.074 165 R CA 1.185 57.302 56.100 0.029 0.000 0.991 165 R CB -0.092 30.225 30.300 0.027 0.000 0.895 165 R HN 0.915 nan 8.270 nan 0.000 0.450 166 E N -0.854 119.370 120.200 0.040 0.000 2.548 166 E HA 0.147 4.523 4.350 0.044 0.000 0.206 166 E C -0.547 176.104 176.600 0.084 0.000 1.005 166 E CA 0.038 56.477 56.400 0.066 0.000 0.951 166 E CB 1.382 31.125 29.700 0.070 0.000 1.035 166 E HN 0.200 nan 8.360 nan 0.000 0.470 167 A N 2.363 125.207 122.820 0.040 0.000 3.411 167 A HA 0.305 4.651 4.320 0.044 0.000 0.238 167 A C -2.308 175.281 177.584 0.007 0.000 1.140 167 A CA -0.703 51.339 52.037 0.008 0.000 0.980 167 A CB 0.650 19.576 19.000 -0.123 0.000 1.371 167 A HN -0.039 nan 8.150 nan 0.000 0.700 168 P HA 0.205 nan 4.420 nan 0.000 0.245 168 P C 0.903 178.226 177.300 0.038 0.000 1.212 168 P CA 1.607 64.728 63.100 0.035 0.000 0.774 168 P CB 0.039 31.768 31.700 0.049 0.000 0.999 169 G N 1.302 110.122 108.800 0.034 0.000 2.758 169 G HA2 -0.213 3.773 3.960 0.044 0.000 0.686 169 G HA3 -0.213 3.773 3.960 0.044 0.000 0.686 169 G C -0.035 174.878 174.900 0.022 0.000 1.389 169 G CA -0.304 44.821 45.100 0.041 0.000 0.845 169 G HN 0.175 nan 8.290 nan 0.000 0.572 170 N N -2.425 116.292 118.700 0.028 0.000 2.741 170 N HA -0.280 4.486 4.740 0.044 0.000 0.251 170 N C 1.787 177.191 175.510 -0.176 0.000 1.112 170 N CA 2.315 55.328 53.050 -0.061 0.000 0.750 170 N CB -1.742 36.630 38.487 -0.191 0.000 1.119 170 N HN 1.893 nan 8.380 nan 0.000 0.561 171 V N -2.741 117.061 119.914 -0.187 0.000 2.515 171 V HA 0.030 4.176 4.120 0.044 0.000 0.250 171 V C 2.366 178.360 176.094 -0.166 0.000 1.058 171 V CA 2.196 64.425 62.300 -0.118 0.000 1.064 171 V CB -0.921 30.876 31.823 -0.043 0.000 0.675 171 V HN 0.261 nan 8.190 nan 0.000 0.461 172 G N 0.475 109.004 108.800 -0.450 0.000 2.450 172 G HA2 -0.162 3.824 3.960 0.044 0.000 0.220 172 G HA3 -0.162 3.824 3.960 0.044 0.000 0.220 172 G C 1.548 176.425 174.900 -0.037 0.000 1.130 172 G CA 1.269 46.195 45.100 -0.290 0.000 0.760 172 G HN 0.550 nan 8.290 nan 0.000 0.557 173 L N -0.419 120.739 121.223 -0.109 0.000 2.209 173 L HA 0.189 4.555 4.340 0.044 0.000 0.207 173 L C 2.744 179.648 176.870 0.056 0.000 1.094 173 L CA 0.114 54.864 54.840 -0.150 0.000 0.790 173 L CB -0.187 41.463 42.059 -0.682 0.000 0.932 173 L HN 0.168 nan 8.230 nan 0.000 0.447 174 L N -0.524 120.738 121.223 0.064 0.000 2.093 174 L HA -0.185 4.182 4.340 0.044 0.000 0.208 174 L C 2.150 179.143 176.870 0.204 0.000 1.085 174 L CA 0.813 55.779 54.840 0.210 0.000 0.755 174 L CB -0.559 41.602 42.059 0.169 0.000 0.904 174 L HN 0.247 nan 8.230 nan 0.000 0.435 175 D N 0.167 120.674 120.400 0.179 0.000 2.127 175 D HA -0.250 4.416 4.640 0.044 0.000 0.190 175 D C 2.239 178.681 176.300 0.237 0.000 1.000 175 D CA 1.414 55.587 54.000 0.289 0.000 0.839 175 D CB -0.300 40.680 40.800 0.299 0.000 0.955 175 D HN 0.368 nan 8.370 nan 0.000 0.446 176 Q N -0.018 119.858 119.800 0.127 0.000 2.061 176 Q HA -0.177 4.189 4.340 0.044 0.000 0.204 176 Q C 2.310 178.300 176.000 -0.017 0.000 0.984 176 Q CA 1.394 57.195 55.803 -0.002 0.000 0.846 176 Q CB -0.136 28.613 28.738 0.017 0.000 0.902 176 Q HN 0.217 nan 8.270 nan 0.000 0.421 177 R N 0.461 121.064 120.500 0.172 0.000 2.091 177 R HA -0.203 4.163 4.340 0.044 0.000 0.238 177 R C 2.200 178.556 176.300 0.094 0.000 1.136 177 R CA 1.278 57.468 56.100 0.150 0.000 0.959 177 R CB -0.298 30.191 30.300 0.315 0.000 0.856 177 R HN 0.237 nan 8.270 nan 0.000 0.437 178 L N 0.673 121.981 121.223 0.141 0.000 2.046 178 L HA -0.060 4.306 4.340 0.044 0.000 0.208 178 L C 2.269 179.179 176.870 0.067 0.000 1.077 178 L CA 2.173 57.120 54.840 0.179 0.000 0.747 178 L CB -0.761 41.488 42.059 0.317 0.000 0.896 178 L HN 0.278 nan 8.230 nan 0.000 0.432 179 A N -0.758 121.901 122.820 -0.268 0.000 1.972 179 A HA -0.142 4.204 4.320 0.044 0.000 0.219 179 A C 2.219 179.728 177.584 -0.126 0.000 1.169 179 A CA 1.812 53.504 52.037 -0.575 0.000 0.635 179 A CB -0.767 17.614 19.000 -1.031 0.000 0.810 179 A HN 0.520 nan 8.150 nan 0.000 0.446 180 L N -1.543 119.630 121.223 -0.083 0.000 2.109 180 L HA -0.184 4.182 4.340 0.044 0.000 0.207 180 L C 2.793 179.707 176.870 0.072 0.000 1.086 180 L CA 1.446 56.278 54.840 -0.013 0.000 0.760 180 L CB -0.647 41.363 42.059 -0.081 0.000 0.910 180 L HN 0.438 nan 8.230 nan 0.000 0.437 181 Q N -0.632 119.223 119.800 0.093 0.000 2.084 181 Q HA -0.257 4.109 4.340 0.044 0.000 0.202 181 Q C 2.046 178.140 176.000 0.156 0.000 0.978 181 Q CA 2.117 57.989 55.803 0.115 0.000 0.844 181 Q CB -0.241 28.574 28.738 0.128 0.000 0.898 181 Q HN 0.492 nan 8.270 nan 0.000 0.426 182 W N -0.332 120.985 121.300 0.028 0.000 2.338 182 W HA -0.238 4.448 4.660 0.044 0.000 0.304 182 W C 1.787 178.339 176.519 0.057 0.000 1.212 182 W CA 1.452 58.834 57.345 0.062 0.000 1.264 182 W CB -0.197 29.303 29.460 0.067 0.000 1.142 182 W HN -0.087 nan 8.180 nan 0.000 0.512 183 V N 0.903 121.043 119.914 0.377 0.000 2.287 183 V HA -0.376 3.770 4.120 0.044 0.000 0.248 183 V C 2.559 178.686 176.094 0.055 0.000 1.053 183 V CA 2.142 64.581 62.300 0.232 0.000 1.027 183 V CB -1.107 30.845 31.823 0.215 0.000 0.646 183 V HN 0.231 nan 8.190 nan 0.000 0.447 184 Q N 0.001 119.831 119.800 0.049 0.000 2.061 184 Q HA -0.253 4.114 4.340 0.044 0.000 0.204 184 Q C 2.198 178.173 176.000 -0.042 0.000 0.984 184 Q CA 1.957 57.772 55.803 0.019 0.000 0.846 184 Q CB -0.336 28.419 28.738 0.029 0.000 0.902 184 Q HN 0.741 nan 8.270 nan 0.000 0.421 185 E N -0.294 119.844 120.200 -0.103 0.000 2.285 185 E HA -0.023 4.353 4.350 0.044 0.000 0.194 185 E C 1.233 177.676 176.600 -0.261 0.000 0.997 185 E CA 0.441 56.744 56.400 -0.162 0.000 0.845 185 E CB 0.234 29.835 29.700 -0.165 0.000 0.782 185 E HN 0.338 nan 8.360 nan 0.000 0.491 186 N N -0.328 118.139 118.700 -0.388 0.000 2.211 186 N HA 0.027 4.793 4.740 0.044 0.000 0.216 186 N C 1.355 176.787 175.510 -0.130 0.000 1.240 186 N CA 0.042 52.814 53.050 -0.464 0.000 0.895 186 N CB 0.514 38.279 38.487 -1.203 0.000 1.102 186 N HN 0.033 nan 8.380 nan 0.000 0.498 187 I N 2.517 123.070 120.570 -0.028 0.000 2.493 187 I HA -0.058 4.138 4.170 0.044 0.000 0.254 187 I C 2.197 178.442 176.117 0.213 0.000 1.160 187 I CA 0.554 61.964 61.300 0.184 0.000 1.445 187 I CB -0.285 37.794 38.000 0.131 0.000 1.086 187 I HN 0.056 nan 8.210 nan 0.000 0.433 188 A N 0.391 123.260 122.820 0.081 0.000 1.940 188 A HA -0.179 4.167 4.320 0.044 0.000 0.219 188 A C 2.489 180.082 177.584 0.014 0.000 1.176 188 A CA 1.746 53.809 52.037 0.044 0.000 0.631 188 A CB -1.183 17.816 19.000 -0.002 0.000 0.814 188 A HN 0.472 nan 8.150 nan 0.000 0.446 189 A N -1.662 121.124 122.820 -0.057 0.000 2.076 189 A HA 0.026 4.373 4.320 0.044 0.000 0.220 189 A C 1.642 179.027 177.584 -0.332 0.000 1.160 189 A CA 1.360 53.257 52.037 -0.232 0.000 0.653 189 A CB -0.667 18.101 19.000 -0.387 0.000 0.801 189 A HN 0.519 nan 8.150 nan 0.000 0.455 190 F N -1.674 118.231 119.950 -0.074 0.000 2.749 190 F HA 0.371 4.924 4.527 0.044 0.000 0.300 190 F C 1.855 177.667 175.800 0.020 0.000 1.103 190 F CA 0.643 58.612 58.000 -0.052 0.000 1.342 190 F CB 0.359 39.334 39.000 -0.041 0.000 1.098 190 F HN 0.339 nan 8.300 nan 0.000 0.586 191 G N 0.169 109.067 108.800 0.163 0.000 2.176 191 G HA2 -0.188 3.798 3.960 0.044 0.000 0.232 191 G HA3 -0.188 3.798 3.960 0.044 0.000 0.232 191 G C 0.735 175.712 174.900 0.129 0.000 0.986 191 G CA -0.316 44.855 45.100 0.118 0.000 0.643 191 G HN 0.696 nan 8.290 nan 0.000 0.522 192 G N -0.334 108.566 108.800 0.167 0.000 2.594 192 G HA2 0.421 4.407 3.960 0.044 0.000 0.243 192 G HA3 0.421 4.407 3.960 0.044 0.000 0.243 192 G C -0.528 174.432 174.900 0.099 0.000 1.229 192 G CA 0.519 45.702 45.100 0.138 0.000 0.843 192 G HN 0.267 nan 8.290 nan 0.000 0.578 193 D N 1.021 121.473 120.400 0.086 0.000 2.427 193 D HA 0.301 4.967 4.640 0.044 0.000 0.226 193 D C -1.304 175.047 176.300 0.086 0.000 1.076 193 D CA -2.372 51.666 54.000 0.064 0.000 0.849 193 D CB 1.923 42.747 40.800 0.041 0.000 1.052 193 D HN 0.052 nan 8.370 nan 0.000 0.515 194 P HA -0.009 nan 4.420 nan 0.000 0.237 194 P C 1.082 178.497 177.300 0.192 0.000 1.178 194 P CA 0.458 63.630 63.100 0.119 0.000 0.766 194 P CB 0.214 31.959 31.700 0.076 0.000 0.876 195 M N -1.250 118.410 119.600 0.101 0.000 2.431 195 M HA 0.114 4.620 4.480 0.044 0.000 0.237 195 M C 0.527 176.646 176.300 -0.301 0.000 1.130 195 M CA 0.433 55.719 55.300 -0.023 0.000 1.002 195 M CB 0.257 32.804 32.600 -0.089 0.000 1.524 195 M HN -0.161 nan 8.290 nan 0.000 0.482 196 S N 1.020 116.727 115.700 0.012 0.000 2.386 196 S HA 0.377 4.873 4.470 0.044 0.000 0.152 196 S C -1.019 173.729 174.600 0.247 0.000 1.511 196 S CA -0.451 57.780 58.200 0.052 0.000 1.246 196 S CB 0.443 63.622 63.200 -0.034 0.000 1.338 196 S HN 0.007 nan 8.310 nan 0.000 0.409 197 V N 3.954 124.169 119.914 0.502 0.000 2.357 197 V HA 0.518 4.665 4.120 0.044 0.000 0.284 197 V C 0.097 176.345 176.094 0.256 0.000 1.018 197 V CA -0.388 62.078 62.300 0.275 0.000 0.841 197 V CB 1.667 33.601 31.823 0.184 0.000 0.991 197 V HN 0.732 nan 8.190 nan 0.000 0.437 198 T N 6.694 121.366 114.554 0.197 0.000 2.771 198 T HA 0.599 4.975 4.350 0.044 0.000 0.281 198 T C -0.185 174.650 174.700 0.226 0.000 0.982 198 T CA -0.367 61.856 62.100 0.204 0.000 0.978 198 T CB 0.884 69.835 68.868 0.137 0.000 0.930 198 T HN 0.335 nan 8.240 nan 0.000 0.447 199 L N 4.677 126.007 121.223 0.178 0.000 2.350 199 L HA 0.695 5.061 4.340 0.044 0.000 0.275 199 L C -0.361 176.709 176.870 0.332 0.000 1.099 199 L CA -0.846 54.068 54.840 0.123 0.000 0.808 199 L CB 0.367 42.280 42.059 -0.243 0.000 1.149 199 L HN 0.642 nan 8.230 nan 0.000 0.442 200 F N 0.344 120.342 119.950 0.081 0.000 2.613 200 F HA 0.971 5.524 4.527 0.043 0.000 0.310 200 F C -0.326 175.457 175.800 -0.029 0.000 1.085 200 F CA -1.449 56.639 58.000 0.148 0.000 0.945 200 F CB 1.655 40.873 39.000 0.364 0.000 1.298 200 F HN 0.495 nan 8.300 nan 0.000 0.455 201 G N 0.990 109.659 108.800 -0.218 0.000 2.547 201 G HA2 0.486 4.472 3.960 0.044 0.000 0.291 201 G HA3 0.486 4.472 3.960 0.044 0.000 0.291 201 G C -2.499 172.187 174.900 -0.357 0.000 1.471 201 G CA -0.724 43.879 45.100 -0.829 0.000 0.798 201 G HN 0.914 nan 8.290 nan 0.000 0.504 205 G N 0.684 109.260 108.800 -0.373 0.000 2.440 205 G HA2 0.083 4.069 3.960 0.044 0.000 0.218 205 G HA3 0.083 4.069 3.960 0.044 0.000 0.218 205 G C 1.675 176.383 174.900 -0.319 0.000 1.154 205 G CA 1.922 46.753 45.100 -0.449 0.000 0.767 205 G HN 1.247 nan 8.290 nan 0.000 0.552 206 A N 1.276 123.989 122.820 -0.179 0.000 1.877 206 A HA 0.251 4.597 4.320 0.044 0.000 0.216 206 A C 2.847 180.412 177.584 -0.032 0.000 1.186 206 A CA 2.372 54.370 52.037 -0.065 0.000 0.620 206 A CB -0.927 18.092 19.000 0.032 0.000 0.822 206 A HN 0.858 nan 8.150 nan 0.000 0.443 207 A N -0.430 122.403 122.820 0.022 0.000 1.978 207 A HA -0.082 4.264 4.320 0.044 0.000 0.220 207 A C 2.416 180.012 177.584 0.019 0.000 1.170 207 A CA 2.136 54.180 52.037 0.011 0.000 0.636 207 A CB -0.819 18.204 19.000 0.038 0.000 0.810 207 A HN 0.480 nan 8.150 nan 0.000 0.448 208 S N -0.362 115.348 115.700 0.016 0.000 2.356 208 S HA -0.131 4.365 4.470 0.044 0.000 0.223 208 S C 1.896 176.460 174.600 -0.060 0.000 1.032 208 S CA 1.357 59.523 58.200 -0.055 0.000 1.005 208 S CB -0.600 62.508 63.200 -0.153 0.000 0.867 208 S HN 0.355 nan 8.310 nan 0.000 0.449 209 V N 2.023 121.902 119.914 -0.059 0.000 2.252 209 V HA -0.221 3.925 4.120 0.044 0.000 0.249 209 V C 2.699 178.785 176.094 -0.013 0.000 1.056 209 V CA 2.099 64.371 62.300 -0.048 0.000 1.022 209 V CB -1.644 30.125 31.823 -0.089 0.000 0.641 209 V HN 0.601 nan 8.190 nan 0.000 0.445 210 G N -0.909 107.878 108.800 -0.020 0.000 2.469 210 G HA2 -0.323 3.663 3.960 0.044 0.000 0.219 210 G HA3 -0.323 3.663 3.960 0.044 0.000 0.219 210 G C 1.619 176.532 174.900 0.022 0.000 1.150 210 G CA 1.375 46.470 45.100 -0.009 0.000 0.763 210 G HN 0.466 nan 8.290 nan 0.000 0.561 211 M N -0.255 119.338 119.600 -0.011 0.000 2.229 211 M HA 0.016 4.522 4.480 0.044 0.000 0.264 211 M C 2.326 178.687 176.300 0.103 0.000 1.063 211 M CA 0.907 56.231 55.300 0.040 0.000 1.114 211 M CB -0.241 32.353 32.600 -0.010 0.000 1.387 211 M HN 0.220 nan 8.290 nan 0.000 0.420 212 H N -0.064 119.117 119.070 0.185 0.000 2.389 212 H HA -0.047 4.535 4.556 0.044 0.000 0.299 212 H C 2.167 177.683 175.328 0.315 0.000 1.081 212 H CA 1.559 57.720 56.048 0.189 0.000 1.345 212 H CB -0.450 29.301 29.762 -0.018 0.000 1.393 212 H HN 0.401 nan 8.280 nan 0.000 0.520 213 I N 0.771 121.585 120.570 0.407 0.000 2.194 213 I HA -0.264 3.933 4.170 0.044 0.000 0.246 213 I C 1.882 178.185 176.117 0.309 0.000 1.093 213 I CA 1.216 62.772 61.300 0.427 0.000 1.355 213 I CB -0.129 38.026 38.000 0.258 0.000 1.046 213 I HN 0.107 nan 8.210 nan 0.000 0.413 214 L N -0.857 120.495 121.223 0.214 0.000 2.611 214 L HA 0.127 4.493 4.340 0.044 0.000 0.229 214 L C 0.752 177.669 176.870 0.078 0.000 1.137 214 L CA -0.023 54.920 54.840 0.172 0.000 0.901 214 L CB 0.030 42.169 42.059 0.134 0.000 1.098 214 L HN 0.027 nan 8.230 nan 0.000 0.456 215 S N -0.348 115.367 115.700 0.024 0.000 2.596 215 S HA 0.267 4.763 4.470 0.044 0.000 0.318 215 S C 0.519 175.048 174.600 -0.118 0.000 1.097 215 S CA -0.637 57.459 58.200 -0.172 0.000 1.080 215 S CB 1.644 64.465 63.200 -0.633 0.000 0.991 215 S HN 0.172 nan 8.310 nan 0.000 0.471 216 L N 7.268 128.426 121.223 -0.108 0.000 2.012 216 L HA 0.148 4.515 4.340 0.044 0.000 0.210 216 L C -1.092 175.736 176.870 -0.071 0.000 1.073 216 L CA 1.960 56.757 54.840 -0.071 0.000 0.748 216 L CB -0.887 41.132 42.059 -0.066 0.000 0.891 216 L HN 0.496 nan 8.230 nan 0.000 0.431 217 P HA -0.099 nan 4.420 nan 0.000 0.221 217 P C 1.582 178.873 177.300 -0.016 0.000 1.145 217 P CA 1.345 64.407 63.100 -0.064 0.000 0.795 217 P CB 0.015 31.664 31.700 -0.086 0.000 0.775 218 S N -1.057 114.651 115.700 0.013 0.000 2.446 218 S HA 0.005 4.501 4.470 0.044 0.000 0.225 218 S C 1.812 176.519 174.600 0.177 0.000 1.016 218 S CA 0.464 58.769 58.200 0.175 0.000 0.943 218 S CB -0.351 63.085 63.200 0.394 0.000 0.786 218 S HN 0.086 nan 8.310 nan 0.000 0.508 219 R N 1.965 122.484 120.500 0.031 0.000 2.193 219 R HA 0.006 4.372 4.340 0.044 0.000 0.229 219 R C 1.975 178.093 176.300 -0.303 0.000 1.110 219 R CA 1.186 57.166 56.100 -0.201 0.000 0.988 219 R CB -0.986 29.232 30.300 -0.136 0.000 0.871 219 R HN 0.538 nan 8.270 nan 0.000 0.458 220 S N -0.298 115.316 115.700 -0.143 0.000 2.671 220 S HA 0.149 4.645 4.470 0.044 0.000 0.220 220 S C 1.553 176.087 174.600 -0.110 0.000 0.951 220 S CA -0.053 58.072 58.200 -0.124 0.000 0.932 220 S CB -0.107 63.059 63.200 -0.056 0.000 0.777 220 S HN 0.190 nan 8.310 nan 0.000 0.508 221 L N 0.045 121.216 121.223 -0.086 0.000 2.731 221 L HA 0.491 4.857 4.340 0.044 0.000 0.240 221 L C 0.085 176.965 176.870 0.017 0.000 1.120 221 L CA -0.261 54.583 54.840 0.007 0.000 0.913 221 L CB 0.082 42.197 42.059 0.092 0.000 1.213 221 L HN 0.506 nan 8.230 nan 0.000 0.515 222 F N -3.825 115.917 119.950 -0.347 0.000 2.754 222 F HA 0.515 5.068 4.527 0.044 0.000 0.320 222 F C 0.505 175.911 175.800 -0.657 0.000 1.156 222 F CA -0.961 56.758 58.000 -0.467 0.000 0.950 222 F CB 0.825 39.722 39.000 -0.172 0.000 1.388 222 F HN -0.163 nan 8.300 nan 0.000 0.485 223 H N -0.962 118.154 119.070 0.077 0.000 3.266 223 H HA 0.451 5.033 4.556 0.044 0.000 0.246 223 H C -0.184 175.176 175.328 0.052 0.000 0.998 223 H CA -0.030 55.987 56.048 -0.052 0.000 1.152 223 H CB 0.932 30.672 29.762 -0.036 0.000 1.466 223 H HN 0.424 nan 8.280 nan 0.000 0.481 224 R N 0.265 120.956 120.500 0.317 0.000 2.774 224 R HA 0.744 5.110 4.340 0.044 0.000 0.272 224 R C -1.315 175.246 176.300 0.434 0.000 1.000 224 R CA -0.695 55.569 56.100 0.273 0.000 0.906 224 R CB 2.942 33.213 30.300 -0.049 0.000 1.227 224 R HN 0.146 nan 8.270 nan 0.000 0.468 225 A N 1.105 124.193 122.820 0.448 0.000 2.486 225 A HA 0.691 5.037 4.320 0.044 0.000 0.300 225 A C -1.429 176.316 177.584 0.267 0.000 1.048 225 A CA -0.616 51.612 52.037 0.318 0.000 0.696 225 A CB 1.876 21.020 19.000 0.240 0.000 1.278 225 A HN 0.314 nan 8.150 nan 0.000 0.405 226 V N 2.006 122.032 119.914 0.186 0.000 2.531 226 V HA 0.540 4.687 4.120 0.044 0.000 0.301 226 V C -1.159 175.017 176.094 0.136 0.000 1.034 226 V CA -0.351 61.992 62.300 0.073 0.000 0.865 226 V CB 1.337 33.228 31.823 0.114 0.000 0.995 226 V HN 0.690 nan 8.190 nan 0.000 0.424 227 L N 5.051 126.327 121.223 0.089 0.000 2.345 227 L HA 0.527 4.893 4.340 0.044 0.000 0.274 227 L C -0.087 176.872 176.870 0.148 0.000 0.999 227 L CA 0.013 54.904 54.840 0.085 0.000 0.849 227 L CB 1.632 43.700 42.059 0.014 0.000 1.220 227 L HN 0.634 nan 8.230 nan 0.000 0.422 228 Q N 1.923 121.861 119.800 0.229 0.000 2.340 228 Q HA 0.456 4.822 4.340 0.044 0.000 0.259 228 Q C 0.260 176.383 176.000 0.205 0.000 0.964 228 Q CA -0.540 55.457 55.803 0.323 0.000 0.900 228 Q CB 1.384 30.402 28.738 0.466 0.000 1.228 228 Q HN 0.610 nan 8.270 nan 0.000 0.449 229 S N 0.961 116.767 115.700 0.176 0.000 3.581 229 S HA -0.177 4.319 4.470 0.044 0.000 0.354 229 S C 0.049 174.818 174.600 0.281 0.000 1.059 229 S CA 0.629 58.956 58.200 0.212 0.000 1.060 229 S CB -1.128 62.210 63.200 0.229 0.000 0.908 229 S HN 0.991 nan 8.310 nan 0.000 0.475 230 G N -0.606 108.326 108.800 0.220 0.000 2.579 230 G HA2 0.644 4.630 3.960 0.044 0.000 0.292 230 G HA3 0.644 4.630 3.960 0.044 0.000 0.292 230 G C -0.952 174.025 174.900 0.130 0.000 1.484 230 G CA 0.201 45.492 45.100 0.317 0.000 0.813 230 G HN 0.950 nan 8.290 nan 0.000 0.515 231 T N -1.532 113.049 114.554 0.046 0.000 2.889 231 T HA 0.724 5.101 4.350 0.044 0.000 0.315 231 T C -2.376 172.190 174.700 -0.224 0.000 1.291 231 T CA -1.287 60.755 62.100 -0.097 0.000 1.028 231 T CB 3.016 71.807 68.868 -0.129 0.000 1.235 231 T HN 0.297 nan 8.240 nan 0.000 0.491 232 P HA -0.011 nan 4.420 nan 0.000 0.222 232 P C 0.232 177.372 177.300 -0.266 0.000 1.153 232 P CA 0.621 63.597 63.100 -0.206 0.000 0.798 232 P CB -0.044 31.589 31.700 -0.113 0.000 0.796 233 N N 0.573 119.133 118.700 -0.233 0.000 2.379 233 N HA 0.323 5.089 4.740 0.044 0.000 0.260 233 N C 0.789 176.098 175.510 -0.336 0.000 1.254 233 N CA 0.513 53.428 53.050 -0.227 0.000 0.958 233 N CB 0.386 38.783 38.487 -0.150 0.000 1.208 233 N HN 0.191 nan 8.380 nan 0.000 0.532 234 G N -0.650 107.971 108.800 -0.298 0.000 2.525 234 G HA2 -0.121 3.866 3.960 0.044 0.000 0.685 234 G HA3 -0.121 3.866 3.960 0.044 0.000 0.685 234 G C -2.311 172.353 174.900 -0.393 0.000 1.290 234 G CA -0.232 44.651 45.100 -0.362 0.000 0.915 234 G HN 0.519 nan 8.290 nan 0.000 0.548 235 P HA 0.125 nan 4.420 nan 0.000 0.231 235 P C 1.447 178.672 177.300 -0.126 0.000 1.168 235 P CA 1.987 64.952 63.100 -0.226 0.000 0.779 235 P CB -0.043 31.506 31.700 -0.253 0.000 0.844 236 W N -1.645 119.569 121.300 -0.143 0.000 2.865 236 W HA 0.586 5.272 4.660 0.043 0.000 0.300 236 W C 0.998 177.594 176.519 0.129 0.000 1.096 236 W CA 0.430 57.776 57.345 0.001 0.000 1.524 236 W CB -0.735 28.771 29.460 0.075 0.000 0.991 236 W HN -0.167 nan 8.180 nan 0.000 0.571 237 A N 1.888 124.338 122.820 -0.618 0.000 2.123 237 A HA 0.164 4.510 4.320 0.044 0.000 0.214 237 A C 1.074 178.466 177.584 -0.320 0.000 1.152 237 A CA 1.685 53.419 52.037 -0.505 0.000 0.728 237 A CB -0.721 17.730 19.000 -0.915 0.000 0.814 237 A HN 0.204 nan 8.150 nan 0.000 0.464 238 T N -2.793 111.601 114.554 -0.265 0.000 2.896 238 T HA 0.628 5.004 4.350 0.044 0.000 0.297 238 T C -0.581 174.031 174.700 -0.147 0.000 1.108 238 T CA -0.119 61.846 62.100 -0.225 0.000 1.004 238 T CB 1.469 70.219 68.868 -0.197 0.000 1.159 238 T HN 0.830 nan 8.240 nan 0.000 0.499 239 V N -1.206 118.632 119.914 -0.127 0.000 3.102 239 V HA 0.926 5.073 4.120 0.044 0.000 0.312 239 V C 0.295 176.345 176.094 -0.074 0.000 1.135 239 V CA -0.929 61.317 62.300 -0.090 0.000 1.022 239 V CB 1.343 33.114 31.823 -0.087 0.000 1.056 239 V HN 1.342 nan 8.190 nan 0.000 0.436 240 S N 1.172 116.838 115.700 -0.058 0.000 2.624 240 S HA 0.644 5.140 4.470 0.044 0.000 0.263 240 S C 1.401 175.980 174.600 -0.035 0.000 1.287 240 S CA 0.059 58.233 58.200 -0.043 0.000 0.990 240 S CB 1.178 64.356 63.200 -0.037 0.000 0.950 240 S HN 1.900 nan 8.310 nan 0.000 0.561 241 A N 1.657 124.463 122.820 -0.024 0.000 1.873 241 A HA 0.055 4.401 4.320 0.044 0.000 0.218 241 A C 2.259 179.833 177.584 -0.018 0.000 1.193 241 A CA 2.011 54.039 52.037 -0.015 0.000 0.629 241 A CB -1.979 17.015 19.000 -0.009 0.000 0.826 241 A HN 1.207 nan 8.150 nan 0.000 0.447 242 G N -0.739 108.049 108.800 -0.020 0.000 2.442 242 G HA2 -0.251 3.735 3.960 0.044 0.000 0.219 242 G HA3 -0.251 3.735 3.960 0.044 0.000 0.219 242 G C 1.476 176.360 174.900 -0.027 0.000 1.141 242 G CA 1.473 46.561 45.100 -0.021 0.000 0.763 242 G HN 0.606 nan 8.290 nan 0.000 0.554 243 E N 0.686 120.865 120.200 -0.035 0.000 2.216 243 E HA 0.228 4.604 4.350 0.044 0.000 0.192 243 E C 2.547 179.109 176.600 -0.062 0.000 0.988 243 E CA 1.142 57.513 56.400 -0.049 0.000 0.834 243 E CB -0.365 29.302 29.700 -0.055 0.000 0.772 243 E HN 0.269 nan 8.360 nan 0.000 0.479 244 A N 0.979 123.771 122.820 -0.047 0.000 1.873 244 A HA -0.127 4.219 4.320 0.044 0.000 0.215 244 A C 2.274 179.858 177.584 -0.001 0.000 1.186 244 A CA 1.567 53.587 52.037 -0.028 0.000 0.616 244 A CB -0.613 18.387 19.000 0.001 0.000 0.823 244 A HN 0.269 nan 8.150 nan 0.000 0.442 245 R N -0.406 120.090 120.500 -0.007 0.000 2.096 245 R HA -0.202 4.165 4.340 0.044 0.000 0.240 245 R C 2.454 178.750 176.300 -0.006 0.000 1.139 245 R CA 1.954 58.050 56.100 -0.006 0.000 0.952 245 R CB -0.331 29.962 30.300 -0.011 0.000 0.854 245 R HN 0.534 nan 8.270 nan 0.000 0.436 246 R N 0.373 120.863 120.500 -0.017 0.000 2.073 246 R HA -0.126 4.240 4.340 0.044 0.000 0.234 246 R C 2.252 178.543 176.300 -0.015 0.000 1.134 246 R CA 1.845 57.934 56.100 -0.019 0.000 0.952 246 R CB -0.119 30.165 30.300 -0.028 0.000 0.850 246 R HN 0.285 nan 8.270 nan 0.000 0.433 247 R N -0.191 120.285 120.500 -0.041 0.000 2.092 247 R HA -0.056 4.310 4.340 0.044 0.000 0.231 247 R C 2.314 178.679 176.300 0.109 0.000 1.119 247 R CA 1.268 57.329 56.100 -0.065 0.000 0.970 247 R CB -0.267 29.841 30.300 -0.321 0.000 0.864 247 R HN 0.254 nan 8.270 nan 0.000 0.440 248 A N 0.551 123.466 122.820 0.157 0.000 1.855 248 A HA -0.119 4.227 4.320 0.044 0.000 0.215 248 A C 2.171 179.779 177.584 0.039 0.000 1.191 248 A CA 1.756 53.883 52.037 0.150 0.000 0.613 248 A CB -0.884 18.145 19.000 0.049 0.000 0.829 248 A HN 0.230 nan 8.150 nan 0.000 0.442 249 T N 0.278 114.840 114.554 0.013 0.000 2.699 249 T HA -0.183 4.193 4.350 0.044 0.000 0.268 249 T C 1.797 176.501 174.700 0.007 0.000 1.036 249 T CA 1.719 63.817 62.100 -0.003 0.000 1.147 249 T CB -0.361 68.503 68.868 -0.006 0.000 0.862 249 T HN 0.309 nan 8.240 nan 0.000 0.446 250 L N 0.756 121.992 121.223 0.023 0.000 2.109 250 L HA 0.205 4.571 4.340 0.044 0.000 0.207 250 L C 2.113 179.005 176.870 0.038 0.000 1.086 250 L CA 1.332 56.186 54.840 0.025 0.000 0.760 250 L CB -0.812 41.263 42.059 0.027 0.000 0.910 250 L HN 0.217 nan 8.230 nan 0.000 0.437 251 L N -0.337 120.934 121.223 0.080 0.000 2.093 251 L HA -0.016 4.350 4.340 0.044 0.000 0.208 251 L C 2.432 179.314 176.870 0.019 0.000 1.085 251 L CA 1.798 56.691 54.840 0.090 0.000 0.755 251 L CB -0.701 41.458 42.059 0.167 0.000 0.904 251 L HN 0.246 nan 8.230 nan 0.000 0.435 252 A N -0.341 122.477 122.820 -0.002 0.000 1.873 252 A HA -0.221 4.125 4.320 0.044 0.000 0.215 252 A C 2.515 180.087 177.584 -0.019 0.000 1.186 252 A CA 1.660 53.687 52.037 -0.018 0.000 0.616 252 A CB -0.685 18.296 19.000 -0.031 0.000 0.823 252 A HN 0.467 nan 8.150 nan 0.000 0.442 253 R N -0.497 119.991 120.500 -0.020 0.000 2.103 253 R HA -0.127 4.239 4.340 0.044 0.000 0.242 253 R C 1.968 178.234 176.300 -0.058 0.000 1.142 253 R CA 1.737 57.821 56.100 -0.028 0.000 0.960 253 R CB -0.466 29.822 30.300 -0.021 0.000 0.858 253 R HN 0.556 nan 8.270 nan 0.000 0.439 254 L N 0.470 121.636 121.223 -0.094 0.000 2.275 254 L HA -0.105 4.261 4.340 0.044 0.000 0.215 254 L C 1.857 178.571 176.870 -0.260 0.000 1.119 254 L CA 0.696 55.392 54.840 -0.240 0.000 0.790 254 L CB 0.065 41.915 42.059 -0.348 0.000 0.919 254 L HN 0.173 nan 8.230 nan 0.000 0.443 255 V N -4.153 115.707 119.914 -0.090 0.000 3.376 255 V HA 0.504 4.650 4.120 0.044 0.000 0.313 255 V C 0.922 177.024 176.094 0.014 0.000 1.393 255 V CA 0.058 62.362 62.300 0.007 0.000 1.125 255 V CB -0.314 31.557 31.823 0.079 0.000 1.037 255 V HN 0.352 nan 8.190 nan 0.000 0.440 256 G N -0.091 108.704 108.800 -0.009 0.000 2.368 256 G HA2 -0.188 3.798 3.960 0.044 0.000 0.290 256 G HA3 -0.188 3.798 3.960 0.044 0.000 0.290 256 G C -0.181 174.723 174.900 0.007 0.000 1.098 256 G CA 0.058 45.158 45.100 0.001 0.000 1.073 256 G HN 0.762 nan 8.290 nan 0.000 0.511 266 D N 1.335 121.731 120.400 -0.007 0.000 2.092 266 D HA -0.112 4.555 4.640 0.044 0.000 0.193 266 D C 1.488 177.783 176.300 -0.008 0.000 0.994 266 D CA 1.947 55.939 54.000 -0.013 0.000 0.828 266 D CB -0.006 40.786 40.800 -0.013 0.000 0.963 266 D HN 0.604 nan 8.370 nan 0.000 0.450 267 T N 1.004 115.559 114.554 0.002 0.000 2.653 267 T HA -0.199 4.177 4.350 0.044 0.000 0.268 267 T C 1.804 176.512 174.700 0.013 0.000 1.035 267 T CA 1.427 63.533 62.100 0.011 0.000 1.154 267 T CB -0.275 68.601 68.868 0.013 0.000 0.862 267 T HN 0.300 nan 8.240 nan 0.000 0.441 268 E N 0.074 120.279 120.200 0.009 0.000 2.106 268 E HA -0.052 4.324 4.350 0.044 0.000 0.192 268 E C 2.182 178.788 176.600 0.009 0.000 0.984 268 E CA 0.591 56.998 56.400 0.010 0.000 0.806 268 E CB -0.198 29.507 29.700 0.007 0.000 0.750 268 E HN 0.229 nan 8.360 nan 0.000 0.458 269 L N 0.937 122.158 121.223 -0.002 0.000 2.017 269 L HA -0.185 4.181 4.340 0.044 0.000 0.208 269 L C 2.083 178.947 176.870 -0.011 0.000 1.073 269 L CA 1.550 56.382 54.840 -0.013 0.000 0.745 269 L CB -0.210 41.831 42.059 -0.030 0.000 0.894 269 L HN 0.098 nan 8.230 nan 0.000 0.432 270 I N -0.875 119.688 120.570 -0.011 0.000 2.315 270 I HA -0.244 3.952 4.170 0.044 0.000 0.248 270 I C 2.569 178.742 176.117 0.094 0.000 1.117 270 I CA 1.064 62.374 61.300 0.017 0.000 1.404 270 I CB -0.666 37.344 38.000 0.016 0.000 1.071 270 I HN 0.296 nan 8.210 nan 0.000 0.419 271 A N -0.212 122.647 122.820 0.064 0.000 1.908 271 A HA -0.308 4.038 4.320 0.044 0.000 0.218 271 A C 2.529 180.150 177.584 0.062 0.000 1.181 271 A CA 2.070 54.145 52.037 0.063 0.000 0.627 271 A CB -1.403 17.621 19.000 0.040 0.000 0.818 271 A HN 0.626 nan 8.150 nan 0.000 0.445 272 c N -0.678 117.951 118.600 0.049 0.000 2.440 272 c HA 0.031 4.627 4.570 0.044 0.000 0.278 272 c C 2.598 176.728 174.090 0.066 0.000 1.295 272 c CA 0.999 57.355 56.329 0.045 0.000 1.738 272 c CB -1.587 40.941 42.510 0.029 0.000 1.987 272 c HN 0.590 nan 8.230 nan 0.000 0.492 273 L N 0.486 121.762 121.223 0.089 0.000 2.079 273 L HA -0.132 4.234 4.340 0.044 0.000 0.210 273 L C 2.990 179.984 176.870 0.208 0.000 1.081 273 L CA 1.544 56.474 54.840 0.151 0.000 0.752 273 L CB -0.641 41.507 42.059 0.147 0.000 0.896 273 L HN 0.358 nan 8.230 nan 0.000 0.433 274 R N -0.503 120.114 120.500 0.195 0.000 2.193 274 R HA -0.126 4.240 4.340 0.044 0.000 0.229 274 R C 2.180 178.503 176.300 0.038 0.000 1.110 274 R CA 1.759 57.913 56.100 0.091 0.000 0.988 274 R CB -0.588 29.756 30.300 0.072 0.000 0.871 274 R HN 0.527 nan 8.270 nan 0.000 0.458 275 T N -1.400 113.183 114.554 0.048 0.000 3.085 275 T HA 0.057 4.433 4.350 0.044 0.000 0.263 275 T C 0.955 175.671 174.700 0.027 0.000 1.127 275 T CA 0.100 62.217 62.100 0.028 0.000 1.103 275 T CB 0.118 69.003 68.868 0.029 0.000 0.921 275 T HN -0.106 nan 8.240 nan 0.000 0.510 276 R N 2.680 123.206 120.500 0.043 0.000 2.308 276 R HA 0.385 4.751 4.340 0.044 0.000 0.305 276 R C -2.629 173.687 176.300 0.028 0.000 1.053 276 R CA -2.605 53.522 56.100 0.045 0.000 0.957 276 R CB 0.097 30.438 30.300 0.067 0.000 1.022 276 R HN 0.258 nan 8.270 nan 0.000 0.461 277 P HA -0.114 nan 4.420 nan 0.000 0.266 277 P C 0.420 177.706 177.300 -0.023 0.000 1.180 277 P CA 0.355 63.440 63.100 -0.025 0.000 0.765 277 P CB 0.511 32.206 31.700 -0.009 0.000 0.806 278 A N 2.712 125.440 122.820 -0.155 0.000 1.883 278 A HA -0.277 4.070 4.320 0.044 0.000 0.217 278 A C 2.155 179.740 177.584 0.002 0.000 1.186 278 A CA 2.027 53.944 52.037 -0.200 0.000 0.624 278 A CB -1.242 17.101 19.000 -1.096 0.000 0.822 278 A HN 0.535 nan 8.150 nan 0.000 0.444 279 Q N 0.006 119.794 119.800 -0.020 0.000 2.226 279 Q HA -0.152 4.214 4.340 0.044 0.000 0.204 279 Q C 1.211 177.322 176.000 0.186 0.000 0.975 279 Q CA 1.855 57.809 55.803 0.252 0.000 0.866 279 Q CB -0.389 28.493 28.738 0.241 0.000 0.915 279 Q HN 0.646 nan 8.270 nan 0.000 0.440 280 D N -0.529 119.946 120.400 0.125 0.000 2.117 280 D HA -0.137 4.529 4.640 0.044 0.000 0.197 280 D C 1.692 178.079 176.300 0.144 0.000 0.987 280 D CA 1.050 55.126 54.000 0.126 0.000 0.829 280 D CB -0.115 40.753 40.800 0.114 0.000 0.961 280 D HN 0.314 nan 8.370 nan 0.000 0.460 281 L N 0.095 121.388 121.223 0.117 0.000 2.056 281 L HA -0.100 4.266 4.340 0.044 0.000 0.207 281 L C 2.463 179.363 176.870 0.049 0.000 1.078 281 L CA 0.549 55.414 54.840 0.042 0.000 0.749 281 L CB -0.417 41.571 42.059 -0.120 0.000 0.901 281 L HN -0.046 nan 8.230 nan 0.000 0.433 282 V N -0.259 119.751 119.914 0.159 0.000 2.427 282 V HA -0.257 3.889 4.120 0.044 0.000 0.248 282 V C 2.092 178.270 176.094 0.141 0.000 1.051 282 V CA 1.669 64.097 62.300 0.213 0.000 1.048 282 V CB -0.506 31.576 31.823 0.432 0.000 0.666 282 V HN 0.396 nan 8.190 nan 0.000 0.456 283 D N -0.684 119.766 120.400 0.083 0.000 2.190 283 D HA -0.161 4.505 4.640 0.044 0.000 0.200 283 D C 1.679 177.777 176.300 -0.337 0.000 0.992 283 D CA 1.372 55.318 54.000 -0.090 0.000 0.854 283 D CB -0.178 40.517 40.800 -0.175 0.000 0.936 283 D HN 0.525 nan 8.370 nan 0.000 0.462 284 H N -0.575 118.492 119.070 -0.005 0.000 2.528 284 H HA 0.180 4.762 4.556 0.044 0.000 0.282 284 H C 1.380 176.628 175.328 -0.133 0.000 1.097 284 H CA -0.147 55.843 56.048 -0.096 0.000 1.121 284 H CB 0.626 30.459 29.762 0.118 0.000 1.590 284 H HN 0.286 nan 8.280 nan 0.000 0.553 285 E N 0.455 120.595 120.200 -0.100 0.000 2.051 285 E HA -0.175 4.202 4.350 0.044 0.000 0.192 285 E C 0.787 177.184 176.600 -0.339 0.000 0.991 285 E CA 1.051 57.333 56.400 -0.197 0.000 0.799 285 E CB 0.104 29.541 29.700 -0.439 0.000 0.748 285 E HN 0.461 nan 8.360 nan 0.000 0.449 286 W N -0.559 120.642 121.300 -0.166 0.000 3.180 286 W HA 0.029 4.716 4.660 0.044 0.000 0.254 286 W C 1.207 177.718 176.519 -0.013 0.000 1.318 286 W CA 0.186 57.439 57.345 -0.153 0.000 1.608 286 W CB 0.090 29.413 29.460 -0.229 0.000 1.124 286 W HN 0.226 nan 8.180 nan 0.000 0.694 287 H N -0.641 118.563 119.070 0.223 0.000 2.526 287 H HA 0.043 4.625 4.556 0.043 0.000 0.274 287 H C 1.742 177.131 175.328 0.101 0.000 0.999 287 H CA 0.428 56.581 56.048 0.176 0.000 1.157 287 H CB 0.244 30.135 29.762 0.215 0.000 1.407 287 H HN 0.130 nan 8.280 nan 0.000 0.568 288 V N -1.959 118.042 119.914 0.145 0.000 3.578 288 V HA 0.211 4.357 4.120 0.044 0.000 0.290 288 V C 0.444 176.527 176.094 -0.018 0.000 1.376 288 V CA -0.235 62.089 62.300 0.039 0.000 1.083 288 V CB -0.271 31.534 31.823 -0.031 0.000 0.911 288 V HN 0.110 nan 8.190 nan 0.000 0.433 289 L N 2.628 123.864 121.223 0.020 0.000 2.416 289 L HA 0.290 4.656 4.340 0.044 0.000 0.272 289 L C -0.449 176.429 176.870 0.014 0.000 1.161 289 L CA -1.104 53.740 54.840 0.006 0.000 0.845 289 L CB 0.738 42.829 42.059 0.053 0.000 1.119 289 L HN 0.115 nan 8.230 nan 0.000 0.464 290 P HA -0.074 nan 4.420 nan 0.000 0.226 290 P C -0.270 177.035 177.300 0.009 0.000 1.153 290 P CA 0.979 64.079 63.100 -0.001 0.000 0.777 290 P CB 0.476 32.168 31.700 -0.013 0.000 0.794 291 Q N -1.233 118.575 119.800 0.013 0.000 2.501 291 Q HA 0.317 4.683 4.340 0.044 0.000 0.288 291 Q C -0.725 175.290 176.000 0.024 0.000 1.051 291 Q CA -0.727 55.086 55.803 0.017 0.000 0.788 291 Q CB 1.417 30.161 28.738 0.010 0.000 1.469 291 Q HN -0.065 nan 8.270 nan 0.000 0.416 292 E N 1.162 121.377 120.200 0.024 0.000 2.328 292 E HA 0.285 4.661 4.350 0.044 0.000 0.265 292 E C -1.015 175.595 176.600 0.016 0.000 1.057 292 E CA 0.123 56.538 56.400 0.025 0.000 0.916 292 E CB 0.259 29.973 29.700 0.024 0.000 0.993 292 E HN 0.584 nan 8.360 nan 0.000 0.446 293 S N 3.872 119.578 115.700 0.011 0.000 2.638 293 S HA 0.674 5.170 4.470 0.044 0.000 0.274 293 S C -0.305 174.286 174.600 -0.015 0.000 1.157 293 S CA -1.050 57.148 58.200 -0.003 0.000 0.826 293 S CB 0.912 64.105 63.200 -0.013 0.000 1.139 293 S HN 0.544 nan 8.310 nan 0.000 0.474 294 I N -3.049 117.510 120.570 -0.018 0.000 2.957 294 I HA 0.767 4.964 4.170 0.044 0.000 0.310 294 I C -0.242 175.824 176.117 -0.085 0.000 1.063 294 I CA -1.249 60.041 61.300 -0.016 0.000 1.033 294 I CB 0.807 38.849 38.000 0.070 0.000 1.230 294 I HN 0.688 nan 8.210 nan 0.000 0.447 295 F N 1.162 120.878 119.950 -0.390 0.000 3.090 295 F HA -0.222 4.331 4.527 0.043 0.000 0.282 295 F C 0.055 175.296 175.800 -0.932 0.000 0.923 295 F CA 0.854 58.368 58.000 -0.809 0.000 0.977 295 F CB -0.828 37.618 39.000 -0.923 0.000 0.954 295 F HN 0.672 nan 8.300 nan 0.000 0.695 296 R N 0.309 120.348 120.500 -0.767 0.000 2.628 296 R HA 0.709 5.075 4.340 0.044 0.000 0.288 296 R C -1.459 174.462 176.300 -0.631 0.000 0.980 296 R CA -0.404 55.356 56.100 -0.567 0.000 0.891 296 R CB 1.042 31.240 30.300 -0.171 0.000 1.188 296 R HN -0.035 nan 8.270 nan 0.000 0.450 297 F N 0.869 120.974 119.950 0.257 0.000 2.540 297 F HA 0.370 4.923 4.527 0.043 0.000 0.317 297 F C 1.172 176.983 175.800 0.018 0.000 1.104 297 F CA -0.858 57.284 58.000 0.237 0.000 0.913 297 F CB 2.344 41.566 39.000 0.371 0.000 1.170 297 F HN 0.472 nan 8.300 nan 0.000 0.450 298 S N 1.004 116.684 115.700 -0.035 0.000 2.356 298 S HA -0.028 4.468 4.470 0.044 0.000 0.223 298 S C -0.018 174.215 174.600 -0.611 0.000 1.032 298 S CA 1.228 59.199 58.200 -0.382 0.000 1.005 298 S CB -0.204 62.685 63.200 -0.518 0.000 0.867 298 S HN 0.365 nan 8.310 nan 0.000 0.449 299 F N 1.301 121.271 119.950 0.034 0.000 2.500 299 F HA 0.563 5.116 4.527 0.044 0.000 0.349 299 F C -0.151 175.691 175.800 0.070 0.000 1.127 299 F CA -0.941 57.106 58.000 0.078 0.000 0.998 299 F CB 1.570 40.632 39.000 0.103 0.000 1.237 299 F HN -0.101 nan 8.300 nan 0.000 0.439 300 V N 0.896 120.800 119.914 -0.016 0.000 3.181 300 V HA 0.763 4.909 4.120 0.044 0.000 0.308 300 V C -2.947 172.783 176.094 -0.606 0.000 1.214 300 V CA -3.252 58.702 62.300 -0.576 0.000 1.053 300 V CB 2.088 33.738 31.823 -0.289 0.000 1.069 300 V HN 0.268 nan 8.190 nan 0.000 0.441 301 P HA 0.169 nan 4.420 nan 0.000 0.265 301 P C -0.717 176.427 177.300 -0.259 0.000 1.187 301 P CA 0.410 63.208 63.100 -0.502 0.000 0.766 301 P CB 0.613 31.922 31.700 -0.651 0.000 0.820 302 V N 4.637 124.481 119.914 -0.118 0.000 2.628 302 V HA 0.244 4.390 4.120 0.044 0.000 0.306 302 V C -0.423 175.643 176.094 -0.047 0.000 1.045 302 V CA -0.947 61.312 62.300 -0.067 0.000 0.905 302 V CB 2.122 33.937 31.823 -0.013 0.000 0.997 302 V HN 0.145 nan 8.190 nan 0.000 0.436 303 V N 7.403 127.291 119.914 -0.043 0.000 2.390 303 V HA 0.177 4.323 4.120 0.044 0.000 0.260 303 V C 0.842 176.938 176.094 0.002 0.000 1.043 303 V CA 0.474 62.764 62.300 -0.017 0.000 1.047 303 V CB 0.293 32.100 31.823 -0.026 0.000 1.066 303 V HN 1.055 nan 8.190 nan 0.000 0.481 304 D N 2.957 123.373 120.400 0.026 0.000 2.417 304 D HA 0.139 4.805 4.640 0.044 0.000 0.207 304 D C 1.503 177.825 176.300 0.036 0.000 1.075 304 D CA 0.712 54.732 54.000 0.035 0.000 0.851 304 D CB 0.573 41.407 40.800 0.056 0.000 0.976 304 D HN 0.719 nan 8.370 nan 0.000 0.505 305 G N 0.835 109.657 108.800 0.036 0.000 2.184 305 G HA2 -0.335 3.652 3.960 0.044 0.000 0.264 305 G HA3 -0.335 3.652 3.960 0.044 0.000 0.264 305 G C 0.486 175.408 174.900 0.038 0.000 0.975 305 G CA 0.816 45.934 45.100 0.029 0.000 0.642 305 G HN 0.544 nan 8.290 nan 0.000 0.536 306 D N -1.375 119.064 120.400 0.065 0.000 3.013 306 D HA 0.267 4.933 4.640 0.044 0.000 0.235 306 D C 1.820 178.179 176.300 0.097 0.000 1.540 306 D CA 0.419 54.464 54.000 0.074 0.000 1.303 306 D CB -0.537 40.316 40.800 0.089 0.000 0.980 306 D HN 0.086 nan 8.370 nan 0.000 0.250 307 F N 1.137 121.094 119.950 0.012 0.000 2.069 307 F HA 0.122 4.676 4.527 0.044 0.000 0.298 307 F C 0.614 176.413 175.800 -0.002 0.000 1.113 307 F CA 1.237 59.243 58.000 0.011 0.000 1.214 307 F CB 0.035 39.039 39.000 0.007 0.000 0.978 307 F HN -0.015 nan 8.300 nan 0.000 0.474 308 L N 0.966 122.363 121.223 0.290 0.000 2.264 308 L HA 0.190 4.556 4.340 0.044 0.000 0.287 308 L C 1.468 178.381 176.870 0.072 0.000 1.039 308 L CA -0.104 54.828 54.840 0.153 0.000 0.829 308 L CB 1.184 43.315 42.059 0.120 0.000 1.211 308 L HN 0.124 nan 8.230 nan 0.000 0.427 309 S N 0.629 116.352 115.700 0.038 0.000 2.423 309 S HA -0.054 4.442 4.470 0.044 0.000 0.231 309 S C 0.550 175.158 174.600 0.014 0.000 1.014 309 S CA 0.723 58.934 58.200 0.018 0.000 0.965 309 S CB 0.170 63.371 63.200 0.002 0.000 0.785 309 S HN 0.695 nan 8.310 nan 0.000 0.495 310 D N 0.087 120.496 120.400 0.015 0.000 2.798 310 D HA 0.369 5.035 4.640 0.044 0.000 0.308 310 D C -0.716 175.585 176.300 0.001 0.000 1.187 310 D CA 0.057 54.060 54.000 0.005 0.000 1.033 310 D CB 1.465 42.267 40.800 0.003 0.000 1.445 310 D HN 0.282 nan 8.370 nan 0.000 0.550 311 T N -1.112 113.435 114.554 -0.011 0.000 2.900 311 T HA 0.229 4.605 4.350 0.044 0.000 0.307 311 T C -1.854 172.834 174.700 -0.020 0.000 1.065 311 T CA -0.801 61.283 62.100 -0.026 0.000 1.105 311 T CB 0.969 69.816 68.868 -0.035 0.000 0.979 311 T HN 0.093 nan 8.240 nan 0.000 0.544 312 P HA -0.091 nan 4.420 nan 0.000 0.216 312 P C 1.386 178.673 177.300 -0.021 0.000 1.150 312 P CA 1.004 64.083 63.100 -0.034 0.000 0.843 312 P CB 0.062 31.710 31.700 -0.085 0.000 0.787 313 E N -0.227 119.951 120.200 -0.037 0.000 2.049 313 E HA -0.203 4.173 4.350 0.044 0.000 0.198 313 E C 2.177 178.778 176.600 0.002 0.000 1.007 313 E CA 1.875 58.260 56.400 -0.024 0.000 0.809 313 E CB -1.305 28.374 29.700 -0.034 0.000 0.749 313 E HN 0.129 nan 8.360 nan 0.000 0.450 314 A N 0.467 123.288 122.820 0.001 0.000 1.883 314 A HA -0.182 4.164 4.320 0.044 0.000 0.217 314 A C 2.280 179.883 177.584 0.032 0.000 1.186 314 A CA 1.462 53.506 52.037 0.011 0.000 0.624 314 A CB -0.806 18.196 19.000 0.003 0.000 0.822 314 A HN 0.218 nan 8.150 nan 0.000 0.444 315 L N -0.298 120.951 121.223 0.043 0.000 2.083 315 L HA -0.177 4.189 4.340 0.044 0.000 0.209 315 L C 2.552 179.522 176.870 0.166 0.000 1.083 315 L CA 1.657 56.545 54.840 0.080 0.000 0.752 315 L CB -0.595 41.513 42.059 0.082 0.000 0.899 315 L HN 0.686 nan 8.230 nan 0.000 0.433 316 I N -3.768 116.896 120.570 0.155 0.000 2.617 316 I HA -0.124 4.072 4.170 0.044 0.000 0.256 316 I C 1.901 178.143 176.117 0.209 0.000 1.167 316 I CA 1.231 62.666 61.300 0.224 0.000 1.469 316 I CB -0.553 37.482 38.000 0.059 0.000 1.098 316 I HN 0.176 nan 8.210 nan 0.000 0.436 317 N N 0.982 119.749 118.700 0.112 0.000 2.166 317 N HA -0.149 4.617 4.740 0.044 0.000 0.186 317 N C 1.630 177.187 175.510 0.077 0.000 1.019 317 N CA 1.902 55.001 53.050 0.082 0.000 0.856 317 N CB -0.032 38.482 38.487 0.044 0.000 0.993 317 N HN 0.625 nan 8.380 nan 0.000 0.426 318 T N -2.822 111.769 114.554 0.061 0.000 3.010 318 T HA 0.216 4.592 4.350 0.044 0.000 0.257 318 T C 0.880 175.544 174.700 -0.060 0.000 1.020 318 T CA -0.469 61.635 62.100 0.007 0.000 0.938 318 T CB 0.349 69.212 68.868 -0.009 0.000 1.049 318 T HN 0.032 nan 8.240 nan 0.000 0.522 319 G N 0.891 109.645 108.800 -0.076 0.000 2.636 319 G HA2 0.404 4.390 3.960 0.044 0.000 0.246 319 G HA3 0.404 4.390 3.960 0.044 0.000 0.246 319 G C -1.100 173.386 174.900 -0.689 0.000 1.216 319 G CA -0.386 44.432 45.100 -0.471 0.000 0.854 319 G HN 0.401 nan 8.290 nan 0.000 0.572 320 D N -0.599 119.297 120.400 -0.841 0.000 2.381 320 D HA 0.460 5.127 4.640 0.044 0.000 0.235 320 D C -0.675 175.226 176.300 -0.664 0.000 1.068 320 D CA -0.642 53.023 54.000 -0.559 0.000 0.832 320 D CB 0.735 41.373 40.800 -0.271 0.000 1.101 320 D HN 0.097 nan 8.370 nan 0.000 0.515 321 F N 2.458 122.412 119.950 0.006 0.000 2.879 321 F HA 0.243 4.796 4.527 0.044 0.000 0.354 321 F C 1.764 177.569 175.800 0.009 0.000 1.291 321 F CA -0.483 57.524 58.000 0.011 0.000 1.238 321 F CB 0.594 39.609 39.000 0.025 0.000 1.005 321 F HN 0.357 nan 8.300 nan 0.000 0.508 322 Q N 0.099 119.952 119.800 0.089 0.000 2.046 322 Q HA -0.099 4.267 4.340 0.044 0.000 0.200 322 Q C 0.439 176.474 176.000 0.057 0.000 0.975 322 Q CA 1.279 57.118 55.803 0.060 0.000 0.836 322 Q CB 0.066 28.812 28.738 0.014 0.000 0.896 322 Q HN 0.350 nan 8.270 nan 0.000 0.428 323 D N 0.466 120.894 120.400 0.046 0.000 2.706 323 D HA 0.168 4.834 4.640 0.044 0.000 0.236 323 D C -0.597 175.734 176.300 0.051 0.000 1.231 323 D CA 0.008 54.028 54.000 0.034 0.000 0.828 323 D CB -0.035 40.770 40.800 0.009 0.000 1.015 323 D HN 0.006 nan 8.370 nan 0.000 0.484 324 L N 0.865 122.141 121.223 0.089 0.000 2.362 324 L HA 0.387 4.753 4.340 0.044 0.000 0.275 324 L C -1.130 175.810 176.870 0.118 0.000 0.998 324 L CA -0.500 54.407 54.840 0.113 0.000 0.820 324 L CB 2.001 44.166 42.059 0.177 0.000 1.270 324 L HN -0.256 nan 8.230 nan 0.000 0.415 325 Q N 3.474 123.354 119.800 0.134 0.000 2.312 325 Q HA 0.815 5.181 4.340 0.044 0.000 0.263 325 Q C -1.420 174.800 176.000 0.366 0.000 0.995 325 Q CA -0.528 55.396 55.803 0.203 0.000 0.853 325 Q CB 2.673 31.488 28.738 0.128 0.000 1.300 325 Q HN 0.495 nan 8.270 nan 0.000 0.448 326 V N 2.281 122.408 119.914 0.355 0.000 2.760 326 V HA 0.493 4.639 4.120 0.044 0.000 0.309 326 V C -1.494 174.602 176.094 0.003 0.000 1.077 326 V CA -0.880 61.553 62.300 0.222 0.000 0.910 326 V CB 1.950 33.810 31.823 0.061 0.000 1.008 326 V HN 0.616 nan 8.190 nan 0.000 0.424 327 L N 6.634 127.645 121.223 -0.353 0.000 2.313 327 L HA 0.913 5.279 4.340 0.044 0.000 0.283 327 L C -0.462 176.292 176.870 -0.192 0.000 1.013 327 L CA -0.161 54.388 54.840 -0.486 0.000 0.816 327 L CB 1.654 42.993 42.059 -1.200 0.000 1.236 327 L HN 0.635 nan 8.230 nan 0.000 0.419 328 V N 1.969 121.823 119.914 -0.100 0.000 2.962 328 V HA 1.125 5.271 4.120 0.044 0.000 0.313 328 V C -0.141 175.718 176.094 -0.392 0.000 1.099 328 V CA 0.109 62.326 62.300 -0.138 0.000 0.971 328 V CB 1.148 32.867 31.823 -0.173 0.000 1.028 328 V HN 1.078 nan 8.190 nan 0.000 0.430 329 G N 0.659 109.094 108.800 -0.609 0.000 2.495 329 G HA2 0.784 4.770 3.960 0.044 0.000 0.294 329 G HA3 0.784 4.770 3.960 0.044 0.000 0.294 329 G C -1.239 173.355 174.900 -0.509 0.000 1.397 329 G CA 0.047 44.390 45.100 -1.260 0.000 0.790 329 G HN 2.029 nan 8.290 nan 0.000 0.486 330 V N -2.372 117.387 119.914 -0.258 0.000 3.130 330 V HA 0.921 5.067 4.120 0.044 0.000 0.310 330 V C 0.289 176.570 176.094 0.311 0.000 1.158 330 V CA -0.524 61.825 62.300 0.083 0.000 1.029 330 V CB 1.137 32.985 31.823 0.041 0.000 1.057 330 V HN 1.771 nan 8.190 nan 0.000 0.436 331 V N -0.559 119.552 119.914 0.328 0.000 2.973 331 V HA 0.557 4.704 4.120 0.044 0.000 0.314 331 V C 1.441 177.723 176.094 0.313 0.000 1.066 331 V CA -0.040 62.504 62.300 0.407 0.000 1.021 331 V CB 1.228 33.283 31.823 0.387 0.000 1.076 331 V HN 1.081 nan 8.190 nan 0.000 0.462 332 K N -0.075 120.510 120.400 0.308 0.000 2.211 332 K HA -0.101 4.245 4.320 0.044 0.000 0.204 332 K C 0.208 176.930 176.600 0.205 0.000 1.047 332 K CA 1.911 58.334 56.287 0.226 0.000 0.935 332 K CB 0.069 32.680 32.500 0.186 0.000 0.728 332 K HN 0.912 nan 8.250 nan 0.000 0.452 333 D N 0.842 121.373 120.400 0.218 0.000 2.613 333 D HA 0.032 4.698 4.640 0.044 0.000 0.312 333 D C -0.037 176.396 176.300 0.222 0.000 1.202 333 D CA -0.110 54.010 54.000 0.200 0.000 0.825 333 D CB 1.281 42.183 40.800 0.169 0.000 1.113 333 D HN 0.120 nan 8.370 nan 0.000 0.502 334 E N 0.358 120.692 120.200 0.224 0.000 2.209 334 E HA -0.107 4.270 4.350 0.044 0.000 0.196 334 E C 1.823 178.591 176.600 0.281 0.000 0.993 334 E CA 0.654 57.210 56.400 0.260 0.000 0.819 334 E CB 0.274 30.090 29.700 0.194 0.000 0.745 334 E HN 0.432 nan 8.360 nan 0.000 0.477 335 G N 0.728 109.668 108.800 0.233 0.000 2.887 335 G HA2 -0.100 3.886 3.960 0.044 0.000 0.211 335 G HA3 -0.100 3.886 3.960 0.044 0.000 0.211 335 G C 1.663 176.747 174.900 0.306 0.000 1.152 335 G CA 0.611 45.869 45.100 0.263 0.000 0.769 335 G HN 0.322 nan 8.290 nan 0.000 0.541 336 S N 0.577 116.420 115.700 0.239 0.000 2.359 336 S HA -0.301 4.195 4.470 0.044 0.000 0.222 336 S C 2.068 176.729 174.600 0.103 0.000 1.038 336 S CA 1.437 59.751 58.200 0.190 0.000 1.051 336 S CB -1.040 62.177 63.200 0.029 0.000 0.944 336 S HN 0.374 nan 8.310 nan 0.000 0.433 337 Y N 1.855 122.037 120.300 -0.197 0.000 2.144 337 Y HA -0.308 4.268 4.550 0.043 0.000 0.277 337 Y C 1.917 177.650 175.900 -0.279 0.000 1.229 337 Y CA 2.216 60.046 58.100 -0.450 0.000 1.144 337 Y CB -0.627 37.459 38.460 -0.624 0.000 0.953 337 Y HN 0.302 nan 8.280 nan 0.000 0.515 338 F N -1.127 118.911 119.950 0.146 0.000 2.456 338 F HA -0.090 4.463 4.527 0.043 0.000 0.298 338 F C 1.955 177.815 175.800 0.100 0.000 1.104 338 F CA 0.683 58.742 58.000 0.098 0.000 1.435 338 F CB -0.368 38.630 39.000 -0.004 0.000 1.078 338 F HN -0.006 nan 8.300 nan 0.000 0.546 339 L N -0.112 121.218 121.223 0.178 0.000 2.093 339 L HA -0.149 4.217 4.340 0.044 0.000 0.208 339 L C 2.503 179.435 176.870 0.104 0.000 1.085 339 L CA 1.046 55.853 54.840 -0.053 0.000 0.755 339 L CB -0.938 40.785 42.059 -0.560 0.000 0.904 339 L HN 0.164 nan 8.230 nan 0.000 0.435 340 V N -3.965 116.090 119.914 0.234 0.000 3.078 340 V HA -0.218 3.928 4.120 0.044 0.000 0.265 340 V C 1.324 177.452 176.094 0.055 0.000 1.122 340 V CA 1.129 63.570 62.300 0.234 0.000 1.141 340 V CB -1.140 30.849 31.823 0.277 0.000 0.735 340 V HN 0.335 nan 8.190 nan 0.000 0.498 341 Y N 1.639 121.972 120.300 0.055 0.000 2.645 341 Y HA 0.653 5.229 4.550 0.043 0.000 0.307 341 Y C 1.647 177.539 175.900 -0.012 0.000 1.151 341 Y CA 0.206 58.306 58.100 0.000 0.000 1.291 341 Y CB 0.509 38.953 38.460 -0.026 0.000 1.135 341 Y HN 0.419 nan 8.280 nan 0.000 0.523 342 G N -1.313 107.556 108.800 0.115 0.000 3.732 342 G HA2 -0.083 3.904 3.960 0.044 0.000 0.220 342 G HA3 -0.083 3.904 3.960 0.044 0.000 0.220 342 G C -0.820 174.133 174.900 0.089 0.000 0.903 342 G CA -0.479 44.666 45.100 0.075 0.000 0.896 342 G HN -0.031 nan 8.290 nan 0.000 0.685 343 V N 2.569 122.558 119.914 0.125 0.000 2.348 343 V HA 0.402 4.548 4.120 0.044 0.000 0.270 343 V C -1.994 174.276 176.094 0.294 0.000 1.037 343 V CA -1.730 60.674 62.300 0.175 0.000 0.872 343 V CB 1.205 33.083 31.823 0.091 0.000 1.002 343 V HN 0.053 nan 8.190 nan 0.000 0.464 344 P HA 0.235 nan 4.420 nan 0.000 0.261 344 P C 0.986 178.366 177.300 0.134 0.000 1.183 344 P CA 1.232 64.413 63.100 0.136 0.000 0.761 344 P CB 0.578 32.327 31.700 0.081 0.000 0.785 345 G N 1.466 110.285 108.800 0.032 0.000 2.184 345 G HA2 -0.191 3.795 3.960 0.044 0.000 0.206 345 G HA3 -0.191 3.795 3.960 0.044 0.000 0.206 345 G C -0.273 174.380 174.900 -0.411 0.000 0.995 345 G CA -0.657 44.325 45.100 -0.196 0.000 0.651 345 G HN 0.391 nan 8.290 nan 0.000 0.511 346 F N 1.215 121.165 119.950 -0.001 0.000 2.495 346 F HA 0.814 5.366 4.527 0.042 0.000 0.327 346 F C 0.456 176.329 175.800 0.121 0.000 1.103 346 F CA -0.225 57.791 58.000 0.027 0.000 0.949 346 F CB 2.464 41.520 39.000 0.093 0.000 1.142 346 F HN 0.246 nan 8.300 nan 0.000 0.457 347 S N 1.571 117.488 115.700 0.362 0.000 2.552 347 S HA 0.288 4.785 4.470 0.044 0.000 0.272 347 S C -0.012 174.854 174.600 0.444 0.000 1.150 347 S CA -0.871 57.535 58.200 0.344 0.000 0.849 347 S CB 1.407 64.721 63.200 0.189 0.000 1.113 347 S HN 0.756 nan 8.310 nan 0.000 0.458 348 K N 1.018 121.585 120.400 0.278 0.000 2.432 348 K HA 0.176 4.522 4.320 0.044 0.000 0.196 348 K C 0.029 176.661 176.600 0.053 0.000 1.038 348 K CA 0.826 57.200 56.287 0.145 0.000 0.986 348 K CB -0.102 32.261 32.500 -0.230 0.000 0.782 348 K HN 0.417 nan 8.250 nan 0.000 0.485 349 D N 0.989 121.414 120.400 0.043 0.000 2.339 349 D HA 0.008 4.675 4.640 0.044 0.000 0.217 349 D C -0.169 176.158 176.300 0.045 0.000 1.050 349 D CA 0.324 54.319 54.000 -0.009 0.000 0.856 349 D CB 0.108 40.890 40.800 -0.030 0.000 0.922 349 D HN 0.497 nan 8.370 nan 0.000 0.518 350 N N -1.263 117.502 118.700 0.108 0.000 3.387 350 N HA 0.124 4.890 4.740 0.044 0.000 0.322 350 N C 0.154 175.729 175.510 0.109 0.000 1.588 350 N CA -0.595 52.498 53.050 0.071 0.000 0.778 350 N CB 0.698 39.183 38.487 -0.002 0.000 1.883 350 N HN -0.340 nan 8.380 nan 0.000 0.628 351 E N -0.620 119.564 120.200 -0.027 0.000 2.489 351 E HA 0.110 4.486 4.350 0.044 0.000 0.193 351 E C -0.559 175.719 176.600 -0.537 0.000 1.057 351 E CA 0.140 56.448 56.400 -0.153 0.000 0.866 351 E CB -0.200 29.451 29.700 -0.083 0.000 0.916 351 E HN 0.546 nan 8.360 nan 0.000 0.500 352 S N 0.343 115.751 115.700 -0.487 0.000 3.559 352 S HA -0.207 4.289 4.470 0.044 0.000 0.369 352 S C 0.093 174.263 174.600 -0.716 0.000 0.987 352 S CA 0.230 58.008 58.200 -0.704 0.000 1.187 352 S CB -1.754 60.828 63.200 -1.031 0.000 0.914 352 S HN 0.304 nan 8.310 nan 0.000 0.480 353 L N 1.772 122.726 121.223 -0.447 0.000 2.342 353 L HA 0.438 4.804 4.340 0.044 0.000 0.285 353 L C 0.845 177.525 176.870 -0.317 0.000 1.095 353 L CA -0.364 54.274 54.840 -0.336 0.000 0.843 353 L CB 0.086 42.016 42.059 -0.213 0.000 1.201 353 L HN 0.441 nan 8.230 nan 0.000 0.445 354 I N 0.197 120.570 120.570 -0.327 0.000 2.797 354 I HA 0.554 4.751 4.170 0.044 0.000 0.310 354 I C 0.773 176.822 176.117 -0.113 0.000 0.990 354 I CA -0.560 60.594 61.300 -0.243 0.000 1.228 354 I CB 1.481 39.343 38.000 -0.230 0.000 1.406 354 I HN 0.563 nan 8.210 nan 0.000 0.534 355 S N 2.548 118.212 115.700 -0.060 0.000 2.669 355 S HA 0.342 4.838 4.470 0.044 0.000 0.270 355 S C 0.968 175.594 174.600 0.044 0.000 1.225 355 S CA -0.502 57.689 58.200 -0.015 0.000 0.991 355 S CB 1.564 64.760 63.200 -0.007 0.000 0.987 355 S HN 0.844 nan 8.310 nan 0.000 0.552 356 R N 0.557 121.086 120.500 0.048 0.000 2.081 356 R HA -0.065 4.301 4.340 0.044 0.000 0.235 356 R C 2.353 178.752 176.300 0.165 0.000 1.131 356 R CA 1.748 57.914 56.100 0.109 0.000 0.960 356 R CB -1.169 29.172 30.300 0.068 0.000 0.856 356 R HN 0.833 nan 8.270 nan 0.000 0.436 357 A N 0.323 123.203 122.820 0.100 0.000 1.933 357 A HA -0.205 4.141 4.320 0.044 0.000 0.218 357 A C 2.055 179.693 177.584 0.091 0.000 1.175 357 A CA 1.533 53.621 52.037 0.085 0.000 0.628 357 A CB -0.478 18.554 19.000 0.053 0.000 0.814 357 A HN 0.522 nan 8.150 nan 0.000 0.444 358 Q N -1.894 117.964 119.800 0.096 0.000 2.170 358 Q HA -0.139 4.228 4.340 0.044 0.000 0.203 358 Q C 1.845 177.950 176.000 0.176 0.000 0.976 358 Q CA 1.585 57.451 55.803 0.105 0.000 0.858 358 Q CB -0.268 28.507 28.738 0.061 0.000 0.907 358 Q HN 0.814 nan 8.270 nan 0.000 0.433 359 F N 0.771 120.760 119.950 0.064 0.000 2.146 359 F HA -0.140 4.417 4.527 0.050 0.000 0.298 359 F C 1.625 177.470 175.800 0.076 0.000 1.096 359 F CA 0.928 58.980 58.000 0.086 0.000 1.275 359 F CB 0.109 39.145 39.000 0.060 0.000 1.008 359 F HN -0.047 nan 8.300 nan 0.000 0.480 360 L N 0.133 121.319 121.223 -0.062 0.000 2.093 360 L HA -0.154 4.212 4.340 0.044 0.000 0.208 360 L C 2.815 179.613 176.870 -0.121 0.000 1.085 360 L CA 1.128 55.878 54.840 -0.150 0.000 0.755 360 L CB -1.483 40.577 42.059 0.002 0.000 0.904 360 L HN 0.256 nan 8.230 nan 0.000 0.435 361 A N 0.683 123.480 122.820 -0.039 0.000 1.897 361 A HA -0.040 4.306 4.320 0.044 0.000 0.215 361 A C 2.438 180.010 177.584 -0.020 0.000 1.181 361 A CA 1.434 53.464 52.037 -0.012 0.000 0.620 361 A CB -1.138 17.878 19.000 0.026 0.000 0.821 361 A HN 0.411 nan 8.150 nan 0.000 0.443 362 G N -0.442 108.351 108.800 -0.011 0.000 2.442 362 G HA2 -0.141 3.845 3.960 0.044 0.000 0.219 362 G HA3 -0.141 3.845 3.960 0.044 0.000 0.219 362 G C 1.466 176.313 174.900 -0.088 0.000 1.141 362 G CA 1.292 46.391 45.100 -0.001 0.000 0.763 362 G HN 0.317 nan 8.290 nan 0.000 0.554 363 V N 0.906 120.696 119.914 -0.207 0.000 2.427 363 V HA -0.094 4.052 4.120 0.044 0.000 0.248 363 V C 2.868 178.910 176.094 -0.088 0.000 1.051 363 V CA 1.455 63.636 62.300 -0.200 0.000 1.048 363 V CB -0.341 31.280 31.823 -0.337 0.000 0.666 363 V HN 0.233 nan 8.190 nan 0.000 0.456 364 R N -0.257 120.202 120.500 -0.067 0.000 2.189 364 R HA 0.081 4.447 4.340 0.044 0.000 0.223 364 R C 1.927 178.219 176.300 -0.014 0.000 1.092 364 R CA 1.115 57.197 56.100 -0.029 0.000 0.989 364 R CB -0.600 29.689 30.300 -0.018 0.000 0.876 364 R HN 0.480 nan 8.270 nan 0.000 0.457 365 I N -0.826 119.735 120.570 -0.016 0.000 2.628 365 I HA -0.006 4.190 4.170 0.044 0.000 0.255 365 I C 2.260 178.376 176.117 -0.002 0.000 1.119 365 I CA 0.982 62.281 61.300 -0.001 0.000 1.448 365 I CB -0.388 37.618 38.000 0.010 0.000 1.133 365 I HN 0.145 nan 8.210 nan 0.000 0.438 366 G N 0.642 109.434 108.800 -0.014 0.000 2.421 366 G HA2 -0.071 3.915 3.960 0.044 0.000 0.217 366 G HA3 -0.071 3.915 3.960 0.044 0.000 0.217 366 G C 0.879 175.794 174.900 0.025 0.000 1.143 366 G CA 0.481 45.578 45.100 -0.006 0.000 0.784 366 G HN 0.229 nan 8.290 nan 0.000 0.541 367 V N 2.126 122.042 119.914 0.004 0.000 2.326 367 V HA 0.222 4.368 4.120 0.044 0.000 0.254 367 V C -1.410 174.691 176.094 0.011 0.000 1.022 367 V CA -1.138 61.154 62.300 -0.012 0.000 1.074 367 V CB 1.340 33.137 31.823 -0.044 0.000 1.305 367 V HN 0.108 nan 8.190 nan 0.000 0.506 368 P HA -0.180 nan 4.420 nan 0.000 0.222 368 P C 1.229 178.539 177.300 0.017 0.000 1.147 368 P CA 1.062 64.172 63.100 0.018 0.000 0.790 368 P CB 0.401 32.111 31.700 0.017 0.000 0.780 369 Q N -0.531 119.287 119.800 0.030 0.000 2.389 369 Q HA 0.233 4.599 4.340 0.044 0.000 0.204 369 Q C 0.951 176.955 176.000 0.006 0.000 0.944 369 Q CA 0.078 55.893 55.803 0.021 0.000 0.908 369 Q CB -0.456 28.306 28.738 0.040 0.000 1.002 369 Q HN 0.018 nan 8.270 nan 0.000 0.493 370 A N 2.007 124.828 122.820 0.003 0.000 2.450 370 A HA 0.367 4.714 4.320 0.044 0.000 0.255 370 A C 0.392 177.973 177.584 -0.006 0.000 1.096 370 A CA -0.251 51.782 52.037 -0.007 0.000 0.778 370 A CB 0.274 19.271 19.000 -0.004 0.000 1.031 370 A HN 0.468 nan 8.150 nan 0.000 0.494 371 S N 2.134 117.827 115.700 -0.012 0.000 2.596 371 S HA 0.118 4.615 4.470 0.044 0.000 0.260 371 S C 0.434 175.036 174.600 0.003 0.000 1.336 371 S CA 0.234 58.430 58.200 -0.007 0.000 0.993 371 S CB 0.394 63.585 63.200 -0.014 0.000 0.923 371 S HN 0.636 nan 8.310 nan 0.000 0.567 372 D N 0.206 120.611 120.400 0.008 0.000 2.149 372 D HA -0.126 4.540 4.640 0.044 0.000 0.194 372 D C 1.681 177.999 176.300 0.029 0.000 1.001 372 D CA 1.344 55.355 54.000 0.017 0.000 0.849 372 D CB -0.314 40.497 40.800 0.017 0.000 0.939 372 D HN 0.439 nan 8.370 nan 0.000 0.449 373 L N 0.394 121.634 121.223 0.028 0.000 2.044 373 L HA 0.036 4.402 4.340 0.044 0.000 0.205 373 L C 2.035 178.943 176.870 0.063 0.000 1.075 373 L CA 1.782 56.649 54.840 0.046 0.000 0.747 373 L CB -0.920 41.161 42.059 0.037 0.000 0.903 373 L HN 0.014 nan 8.230 nan 0.000 0.435 374 A N -0.239 122.599 122.820 0.031 0.000 1.908 374 A HA -0.154 4.192 4.320 0.044 0.000 0.218 374 A C 2.456 180.078 177.584 0.062 0.000 1.181 374 A CA 2.040 54.093 52.037 0.026 0.000 0.627 374 A CB -1.267 17.711 19.000 -0.038 0.000 0.818 374 A HN 0.603 nan 8.150 nan 0.000 0.445 375 A N -0.570 122.276 122.820 0.043 0.000 1.902 375 A HA -0.141 4.205 4.320 0.044 0.000 0.217 375 A C 1.960 179.587 177.584 0.072 0.000 1.181 375 A CA 2.138 54.201 52.037 0.042 0.000 0.623 375 A CB -0.479 18.529 19.000 0.013 0.000 0.818 375 A HN 0.523 nan 8.150 nan 0.000 0.443 376 E N 0.304 120.555 120.200 0.085 0.000 2.058 376 E HA -0.114 4.262 4.350 0.044 0.000 0.194 376 E C 2.104 178.801 176.600 0.161 0.000 0.997 376 E CA 1.704 58.174 56.400 0.115 0.000 0.801 376 E CB -0.547 29.214 29.700 0.102 0.000 0.746 376 E HN 0.474 nan 8.360 nan 0.000 0.450 377 A N -0.000 122.934 122.820 0.190 0.000 1.917 377 A HA -0.202 4.144 4.320 0.044 0.000 0.219 377 A C 2.530 180.256 177.584 0.237 0.000 1.182 377 A CA 1.907 54.104 52.037 0.267 0.000 0.633 377 A CB -0.902 18.362 19.000 0.441 0.000 0.819 377 A HN 0.207 nan 8.150 nan 0.000 0.448 378 V N -0.532 119.541 119.914 0.266 0.000 2.295 378 V HA -0.237 3.909 4.120 0.044 0.000 0.246 378 V C 2.576 178.853 176.094 0.305 0.000 1.049 378 V CA 1.992 64.441 62.300 0.249 0.000 1.024 378 V CB -0.842 31.101 31.823 0.201 0.000 0.648 378 V HN 0.381 nan 8.190 nan 0.000 0.447 379 V N -0.054 120.000 119.914 0.233 0.000 2.287 379 V HA -0.269 3.877 4.120 0.044 0.000 0.248 379 V C 2.312 178.631 176.094 0.374 0.000 1.053 379 V CA 2.078 64.570 62.300 0.320 0.000 1.027 379 V CB -0.576 31.376 31.823 0.215 0.000 0.646 379 V HN 0.456 nan 8.190 nan 0.000 0.447 380 L N -0.556 120.859 121.223 0.321 0.000 2.131 380 L HA -0.207 4.159 4.340 0.044 0.000 0.210 380 L C 2.517 179.578 176.870 0.318 0.000 1.092 380 L CA 2.034 57.120 54.840 0.410 0.000 0.759 380 L CB -0.777 41.458 42.059 0.292 0.000 0.903 380 L HN 0.488 nan 8.230 nan 0.000 0.435 381 H N -1.064 118.000 119.070 -0.010 0.000 2.436 381 H HA -0.128 4.456 4.556 0.047 0.000 0.294 381 H C 1.786 176.970 175.328 -0.239 0.000 1.048 381 H CA 1.552 57.432 56.048 -0.280 0.000 1.353 381 H CB 0.134 29.377 29.762 -0.865 0.000 1.414 381 H HN 0.233 nan 8.280 nan 0.000 0.536 382 Y N 0.005 120.332 120.300 0.045 0.000 2.510 382 Y HA 0.147 4.722 4.550 0.042 0.000 0.273 382 Y C 0.721 176.546 175.900 -0.125 0.000 1.119 382 Y CA 0.287 58.417 58.100 0.050 0.000 1.286 382 Y CB 0.342 38.989 38.460 0.311 0.000 1.061 382 Y HN 0.026 nan 8.280 nan 0.000 0.542 383 T N 1.815 116.307 114.554 -0.104 0.000 2.867 383 T HA -0.077 4.299 4.350 0.044 0.000 0.297 383 T C -0.203 174.088 174.700 -0.681 0.000 0.989 383 T CA -0.135 61.619 62.100 -0.576 0.000 1.159 383 T CB 0.168 68.401 68.868 -1.058 0.000 0.928 383 T HN 0.068 nan 8.240 nan 0.000 0.538 384 D N 2.173 122.250 120.400 -0.539 0.000 2.352 384 D HA 0.070 4.736 4.640 0.044 0.000 0.245 384 D C 0.125 176.132 176.300 -0.489 0.000 1.224 384 D CA -0.598 53.159 54.000 -0.406 0.000 0.879 384 D CB 0.395 41.007 40.800 -0.313 0.000 1.057 384 D HN 0.625 nan 8.370 nan 0.000 0.491 385 W N 3.161 124.374 121.300 -0.144 0.000 2.699 385 W HA 0.039 4.722 4.660 0.040 0.000 0.249 385 W C 2.031 178.431 176.519 -0.198 0.000 1.280 385 W CA -0.267 56.994 57.345 -0.140 0.000 1.345 385 W CB -0.009 29.384 29.460 -0.112 0.000 1.128 385 W HN 0.427 nan 8.180 nan 0.000 0.642 386 L N -1.028 120.102 121.223 -0.156 0.000 2.156 386 L HA -0.115 4.251 4.340 0.044 0.000 0.208 386 L C 0.253 176.717 176.870 -0.676 0.000 1.095 386 L CA 1.195 55.771 54.840 -0.440 0.000 0.770 386 L CB -0.326 41.356 42.059 -0.628 0.000 0.914 386 L HN 0.054 nan 8.230 nan 0.000 0.439 387 H N -2.380 116.560 119.070 -0.217 0.000 2.511 387 H HA 0.153 4.715 4.556 0.011 0.000 0.228 387 H C -1.851 173.309 175.328 -0.280 0.000 1.424 387 H CA -1.324 54.576 56.048 -0.246 0.000 1.321 387 H CB 0.045 29.578 29.762 -0.383 0.000 1.720 387 H HN -0.058 nan 8.280 nan 0.000 0.512 388 P HA -0.178 nan 4.420 nan 0.000 0.219 388 P C 0.647 177.821 177.300 -0.209 0.000 1.146 388 P CA 1.353 64.275 63.100 -0.296 0.000 0.808 388 P CB 0.651 32.254 31.700 -0.162 0.000 0.779 389 E N -0.942 119.200 120.200 -0.097 0.000 2.539 389 E HA 0.034 4.410 4.350 0.044 0.000 0.215 389 E C -0.003 176.571 176.600 -0.043 0.000 0.965 389 E CA -0.183 56.181 56.400 -0.061 0.000 1.019 389 E CB -0.048 29.640 29.700 -0.021 0.000 1.059 389 E HN 0.203 nan 8.360 nan 0.000 0.496 390 D N 3.467 123.856 120.400 -0.018 0.000 2.426 390 D HA -0.041 4.625 4.640 0.044 0.000 0.261 390 D C -1.209 175.086 176.300 -0.009 0.000 1.245 390 D CA -1.271 52.744 54.000 0.026 0.000 0.917 390 D CB 1.063 41.948 40.800 0.141 0.000 1.123 390 D HN -0.100 nan 8.370 nan 0.000 0.508 391 P HA -0.191 nan 4.420 nan 0.000 0.216 391 P C 1.198 178.435 177.300 -0.105 0.000 1.153 391 P CA 1.232 64.280 63.100 -0.086 0.000 0.858 391 P CB 0.061 31.703 31.700 -0.097 0.000 0.789 392 T N -0.980 113.512 114.554 -0.103 0.000 2.708 392 T HA -0.174 4.202 4.350 0.044 0.000 0.266 392 T C 1.690 176.293 174.700 -0.162 0.000 1.037 392 T CA 1.725 63.736 62.100 -0.148 0.000 1.146 392 T CB -1.053 67.699 68.868 -0.192 0.000 0.865 392 T HN 0.305 nan 8.240 nan 0.000 0.435 393 H N 0.682 119.686 119.070 -0.110 0.000 2.321 393 H HA 0.091 4.667 4.556 0.033 0.000 0.300 393 H C 2.197 177.427 175.328 -0.162 0.000 1.087 393 H CA 1.199 57.177 56.048 -0.117 0.000 1.319 393 H CB -0.428 29.251 29.762 -0.138 0.000 1.379 393 H HN 0.175 nan 8.280 nan 0.000 0.501 394 L N 0.177 121.331 121.223 -0.115 0.000 2.079 394 L HA -0.215 4.152 4.340 0.044 0.000 0.210 394 L C 2.759 179.588 176.870 -0.068 0.000 1.081 394 L CA 1.280 55.939 54.840 -0.302 0.000 0.752 394 L CB -0.329 41.574 42.059 -0.260 0.000 0.896 394 L HN 0.269 nan 8.230 nan 0.000 0.433 395 R N 0.393 120.898 120.500 0.008 0.000 2.057 395 R HA -0.159 4.207 4.340 0.044 0.000 0.229 395 R C 1.692 178.119 176.300 0.213 0.000 1.136 395 R CA 1.962 58.151 56.100 0.149 0.000 0.952 395 R CB -0.386 29.872 30.300 -0.069 0.000 0.848 395 R HN 0.289 nan 8.270 nan 0.000 0.430 396 D N 0.658 121.130 120.400 0.120 0.000 2.178 396 D HA -0.104 4.562 4.640 0.044 0.000 0.201 396 D C 1.692 178.103 176.300 0.185 0.000 0.980 396 D CA 1.481 55.576 54.000 0.158 0.000 0.842 396 D CB -0.162 40.688 40.800 0.084 0.000 0.948 396 D HN 0.394 nan 8.370 nan 0.000 0.472 397 A N 0.370 123.280 122.820 0.150 0.000 1.897 397 A HA -0.121 4.225 4.320 0.044 0.000 0.215 397 A C 2.114 179.854 177.584 0.260 0.000 1.181 397 A CA 1.332 53.496 52.037 0.212 0.000 0.620 397 A CB -0.442 18.589 19.000 0.051 0.000 0.821 397 A HN 0.138 nan 8.150 nan 0.000 0.443 398 M N 0.097 119.907 119.600 0.351 0.000 2.080 398 M HA -0.110 4.396 4.480 0.044 0.000 0.260 398 M C 2.311 178.678 176.300 0.112 0.000 1.068 398 M CA 2.137 57.623 55.300 0.310 0.000 1.109 398 M CB -0.636 32.194 32.600 0.384 0.000 1.342 398 M HN 0.422 nan 8.290 nan 0.000 0.405 399 S N -0.271 115.519 115.700 0.149 0.000 2.351 399 S HA -0.161 4.335 4.470 0.044 0.000 0.220 399 S C 2.085 176.763 174.600 0.129 0.000 1.035 399 S CA 1.922 60.215 58.200 0.155 0.000 1.031 399 S CB -0.774 62.580 63.200 0.257 0.000 0.928 399 S HN 0.643 nan 8.310 nan 0.000 0.433 400 A N 0.914 123.830 122.820 0.160 0.000 1.883 400 A HA -0.055 4.292 4.320 0.044 0.000 0.217 400 A C 2.410 180.031 177.584 0.062 0.000 1.186 400 A CA 2.011 54.163 52.037 0.192 0.000 0.624 400 A CB -1.301 17.912 19.000 0.356 0.000 0.822 400 A HN 0.488 nan 8.150 nan 0.000 0.444 401 V N -0.485 119.309 119.914 -0.200 0.000 2.282 401 V HA -0.277 3.869 4.120 0.044 0.000 0.249 401 V C 2.586 178.610 176.094 -0.117 0.000 1.057 401 V CA 2.218 64.334 62.300 -0.306 0.000 1.032 401 V CB -0.784 30.877 31.823 -0.269 0.000 0.645 401 V HN 0.397 nan 8.190 nan 0.000 0.447 402 V N 0.498 120.363 119.914 -0.082 0.000 2.307 402 V HA -0.143 4.003 4.120 0.044 0.000 0.245 402 V C 2.616 178.589 176.094 -0.202 0.000 1.045 402 V CA 2.166 64.396 62.300 -0.116 0.000 1.024 402 V CB -1.338 30.460 31.823 -0.042 0.000 0.651 402 V HN 0.613 nan 8.190 nan 0.000 0.449 403 G N -0.367 108.384 108.800 -0.081 0.000 2.418 403 G HA2 -0.252 3.734 3.960 0.044 0.000 0.217 403 G HA3 -0.252 3.734 3.960 0.044 0.000 0.217 403 G C 1.246 176.060 174.900 -0.143 0.000 1.158 403 G CA 1.084 46.141 45.100 -0.073 0.000 0.771 403 G HN 0.497 nan 8.290 nan 0.000 0.545 404 D N -0.193 120.150 120.400 -0.095 0.000 2.084 404 D HA -0.098 4.568 4.640 0.044 0.000 0.194 404 D C 2.127 178.134 176.300 -0.489 0.000 0.990 404 D CA 1.334 55.258 54.000 -0.126 0.000 0.826 404 D CB -0.518 40.389 40.800 0.179 0.000 0.971 404 D HN 0.396 nan 8.370 nan 0.000 0.453 405 H N 0.822 119.321 119.070 -0.951 0.000 2.387 405 H HA 0.015 4.597 4.556 0.043 0.000 0.299 405 H C 1.463 176.369 175.328 -0.705 0.000 1.090 405 H CA 1.601 56.877 56.048 -1.286 0.000 1.332 405 H CB 0.053 28.951 29.762 -1.440 0.000 1.386 405 H HN 0.007 nan 8.280 nan 0.000 0.516 406 N N -0.900 117.330 118.700 -0.784 0.000 2.409 406 N HA 0.007 4.773 4.740 0.044 0.000 0.174 406 N C 1.259 176.499 175.510 -0.450 0.000 1.037 406 N CA 1.047 53.574 53.050 -0.871 0.000 0.898 406 N CB 0.998 38.407 38.487 -1.797 0.000 1.010 406 N HN 0.267 nan 8.380 nan 0.000 0.445 407 V N -0.356 119.356 119.914 -0.336 0.000 3.278 407 V HA 0.051 4.197 4.120 0.044 0.000 0.215 407 V C 2.162 178.203 176.094 -0.089 0.000 1.287 407 V CA 0.230 62.463 62.300 -0.112 0.000 1.302 407 V CB -0.106 31.708 31.823 -0.016 0.000 1.228 407 V HN -0.172 nan 8.190 nan 0.000 0.523 408 V N 0.005 119.869 119.914 -0.082 0.000 2.295 408 V HA -0.295 3.851 4.120 0.044 0.000 0.246 408 V C 2.492 178.549 176.094 -0.062 0.000 1.049 408 V CA 2.550 64.819 62.300 -0.052 0.000 1.024 408 V CB -0.896 30.929 31.823 0.002 0.000 0.648 408 V HN 0.658 nan 8.190 nan 0.000 0.447 409 c N -0.208 118.349 118.600 -0.072 0.000 2.466 409 c HA 0.001 4.597 4.570 0.044 0.000 0.278 409 c C 0.639 174.697 174.090 -0.054 0.000 1.288 409 c CA 1.023 57.339 56.329 -0.022 0.000 1.722 409 c CB -1.856 40.674 42.510 0.034 0.000 2.017 409 c HN 0.460 nan 8.230 nan 0.000 0.488 410 P HA -0.081 nan 4.420 nan 0.000 0.215 410 P C 1.748 178.985 177.300 -0.105 0.000 1.153 410 P CA 1.368 64.396 63.100 -0.120 0.000 0.853 410 P CB -0.180 31.418 31.700 -0.170 0.000 0.788 411 V N 0.175 120.027 119.914 -0.103 0.000 2.295 411 V HA -0.281 3.865 4.120 0.044 0.000 0.246 411 V C 2.474 178.472 176.094 -0.160 0.000 1.049 411 V CA 2.315 64.538 62.300 -0.128 0.000 1.024 411 V CB -1.696 30.047 31.823 -0.133 0.000 0.648 411 V HN 0.107 nan 8.190 nan 0.000 0.447 412 A N -0.429 122.313 122.820 -0.129 0.000 1.883 412 A HA -0.345 4.001 4.320 0.044 0.000 0.217 412 A C 2.208 179.763 177.584 -0.048 0.000 1.186 412 A CA 2.398 54.372 52.037 -0.105 0.000 0.624 412 A CB -0.618 18.371 19.000 -0.018 0.000 0.822 412 A HN 0.618 nan 8.150 nan 0.000 0.444 413 Q N -0.716 119.068 119.800 -0.026 0.000 2.030 413 Q HA -0.189 4.177 4.340 0.044 0.000 0.204 413 Q C 1.910 177.890 176.000 -0.034 0.000 0.986 413 Q CA 2.025 57.824 55.803 -0.008 0.000 0.843 413 Q CB -0.456 28.273 28.738 -0.015 0.000 0.904 413 Q HN 0.501 nan 8.270 nan 0.000 0.420 414 L N 0.346 121.521 121.223 -0.080 0.000 2.012 414 L HA -0.127 4.239 4.340 0.044 0.000 0.210 414 L C 2.250 179.050 176.870 -0.116 0.000 1.073 414 L CA 2.345 57.120 54.840 -0.107 0.000 0.748 414 L CB -1.072 40.907 42.059 -0.132 0.000 0.891 414 L HN 0.349 nan 8.230 nan 0.000 0.431 415 A N -0.606 122.115 122.820 -0.166 0.000 1.883 415 A HA -0.128 4.218 4.320 0.044 0.000 0.217 415 A C 2.353 179.956 177.584 0.033 0.000 1.186 415 A CA 1.799 53.699 52.037 -0.229 0.000 0.624 415 A CB -1.676 16.910 19.000 -0.690 0.000 0.822 415 A HN 0.546 nan 8.150 nan 0.000 0.444 416 G N -0.581 108.297 108.800 0.130 0.000 2.459 416 G HA2 -0.242 3.744 3.960 0.044 0.000 0.217 416 G HA3 -0.242 3.744 3.960 0.044 0.000 0.217 416 G C 1.683 176.657 174.900 0.123 0.000 1.183 416 G CA 0.929 46.162 45.100 0.221 0.000 0.776 416 G HN 0.406 nan 8.290 nan 0.000 0.552 417 R N 0.294 120.834 120.500 0.066 0.000 2.073 417 R HA 0.071 4.437 4.340 0.044 0.000 0.234 417 R C 2.716 179.062 176.300 0.076 0.000 1.134 417 R CA 0.665 56.806 56.100 0.068 0.000 0.952 417 R CB -1.281 29.051 30.300 0.052 0.000 0.850 417 R HN 0.418 nan 8.270 nan 0.000 0.433 418 L N 0.321 121.535 121.223 -0.015 0.000 2.012 418 L HA -0.168 4.199 4.340 0.044 0.000 0.210 418 L C 2.649 179.558 176.870 0.067 0.000 1.073 418 L CA 1.562 56.365 54.840 -0.061 0.000 0.748 418 L CB -0.727 41.214 42.059 -0.197 0.000 0.891 418 L HN 0.167 nan 8.230 nan 0.000 0.431 419 A N 0.044 122.915 122.820 0.085 0.000 1.877 419 A HA -0.169 4.177 4.320 0.044 0.000 0.216 419 A C 2.523 180.157 177.584 0.084 0.000 1.186 419 A CA 1.728 53.822 52.037 0.097 0.000 0.620 419 A CB -0.799 18.290 19.000 0.148 0.000 0.822 419 A HN 0.402 nan 8.150 nan 0.000 0.443 420 A N -1.178 121.697 122.820 0.091 0.000 2.024 420 A HA -0.161 4.185 4.320 0.044 0.000 0.220 420 A C 1.845 179.483 177.584 0.091 0.000 1.164 420 A CA 1.677 53.761 52.037 0.077 0.000 0.643 420 A CB -0.347 18.698 19.000 0.076 0.000 0.806 420 A HN 0.623 nan 8.150 nan 0.000 0.451 421 Q N -1.827 118.057 119.800 0.141 0.000 2.211 421 Q HA 0.387 4.753 4.340 0.044 0.000 0.231 421 Q C 0.896 176.997 176.000 0.168 0.000 0.865 421 Q CA 0.413 56.317 55.803 0.169 0.000 0.997 421 Q CB 0.386 29.285 28.738 0.268 0.000 1.101 421 Q HN 0.789 nan 8.270 nan 0.000 0.468 422 G N -0.314 108.558 108.800 0.120 0.000 2.213 422 G HA2 -0.295 3.691 3.960 0.044 0.000 0.236 422 G HA3 -0.295 3.691 3.960 0.044 0.000 0.236 422 G C 0.344 175.306 174.900 0.103 0.000 0.991 422 G CA -0.166 44.989 45.100 0.092 0.000 0.629 422 G HN 0.553 nan 8.290 nan 0.000 0.517 423 A N 0.233 123.138 122.820 0.142 0.000 2.425 423 A HA 0.647 4.993 4.320 0.044 0.000 0.242 423 A C 0.755 178.369 177.584 0.050 0.000 1.077 423 A CA 0.654 52.758 52.037 0.112 0.000 0.781 423 A CB 0.272 19.328 19.000 0.093 0.000 1.020 423 A HN 0.791 nan 8.150 nan 0.000 0.494 424 R N 1.803 122.326 120.500 0.038 0.000 2.202 424 R HA 0.494 4.860 4.340 0.044 0.000 0.334 424 R C -1.541 174.720 176.300 -0.066 0.000 1.036 424 R CA -0.184 55.898 56.100 -0.030 0.000 0.878 424 R CB 0.381 30.686 30.300 0.007 0.000 1.067 424 R HN 0.469 nan 8.270 nan 0.000 0.457 425 V N 5.842 125.646 119.914 -0.183 0.000 2.540 425 V HA 0.405 4.551 4.120 0.044 0.000 0.302 425 V C -1.102 174.794 176.094 -0.329 0.000 1.035 425 V CA -0.806 61.414 62.300 -0.133 0.000 0.873 425 V CB 1.493 33.319 31.823 0.004 0.000 0.992 425 V HN 0.650 nan 8.190 nan 0.000 0.428 426 Y N 2.233 122.498 120.300 -0.058 0.000 2.376 426 Y HA 0.792 5.367 4.550 0.043 0.000 0.340 426 Y C 0.350 176.300 175.900 0.082 0.000 0.965 426 Y CA -0.538 57.513 58.100 -0.081 0.000 1.078 426 Y CB 2.186 40.279 38.460 -0.611 0.000 1.193 426 Y HN 0.774 nan 8.280 nan 0.000 0.452 427 A N 3.138 126.275 122.820 0.527 0.000 2.380 427 A HA 0.880 5.226 4.320 0.044 0.000 0.315 427 A C -1.771 176.195 177.584 0.638 0.000 1.101 427 A CA -0.685 51.567 52.037 0.359 0.000 0.771 427 A CB 1.015 20.041 19.000 0.044 0.000 1.287 427 A HN 0.753 nan 8.150 nan 0.000 0.436 428 Y N -0.744 119.791 120.300 0.391 0.000 2.615 428 Y HA 0.795 5.371 4.550 0.043 0.000 0.341 428 Y C -1.125 174.948 175.900 0.288 0.000 1.089 428 Y CA -1.575 56.725 58.100 0.334 0.000 1.049 428 Y CB 1.301 39.962 38.460 0.336 0.000 1.296 428 Y HN 0.703 nan 8.280 nan 0.000 0.470 429 I N 2.914 123.795 120.570 0.518 0.000 2.465 429 I HA 0.487 4.683 4.170 0.044 0.000 0.291 429 I C -1.837 174.611 176.117 0.553 0.000 1.014 429 I CA -1.078 60.496 61.300 0.455 0.000 1.093 429 I CB 1.296 39.493 38.000 0.328 0.000 1.267 429 I HN 0.748 nan 8.210 nan 0.000 0.431 430 F N 7.051 127.270 119.950 0.449 0.000 2.405 430 F HA 0.399 4.953 4.527 0.044 0.000 0.355 430 F C 0.632 176.583 175.800 0.251 0.000 1.121 430 F CA 0.097 58.309 58.000 0.354 0.000 1.112 430 F CB 0.973 40.196 39.000 0.373 0.000 1.126 430 F HN 0.555 nan 8.300 nan 0.000 0.481 431 E N 2.791 122.853 120.200 -0.230 0.000 2.601 431 E HA -0.027 4.350 4.350 0.044 0.000 0.219 431 E C -0.807 175.690 176.600 -0.170 0.000 0.964 431 E CA -0.145 56.203 56.400 -0.087 0.000 1.050 431 E CB 0.323 29.996 29.700 -0.046 0.000 1.068 431 E HN 0.510 nan 8.360 nan 0.000 0.496 432 H N 1.501 120.237 119.070 -0.557 0.000 2.652 432 H HA 0.215 4.797 4.556 0.043 0.000 0.298 432 H C -0.362 174.967 175.328 0.002 0.000 1.076 432 H CA -0.433 55.385 56.048 -0.382 0.000 1.360 432 H CB 0.423 29.789 29.762 -0.659 0.000 1.421 432 H HN -0.158 nan 8.280 nan 0.000 0.464 433 R N 4.194 124.425 120.500 -0.448 0.000 2.296 433 R HA 0.383 4.749 4.340 0.044 0.000 0.323 433 R C -0.418 175.615 176.300 -0.445 0.000 1.067 433 R CA -0.377 55.570 56.100 -0.255 0.000 0.946 433 R CB 0.137 30.366 30.300 -0.118 0.000 0.991 433 R HN 0.826 nan 8.270 nan 0.000 0.448 434 A N 3.394 126.273 122.820 0.099 0.000 2.567 434 A HA -0.031 4.315 4.320 0.044 0.000 0.240 434 A C 1.409 179.107 177.584 0.190 0.000 1.053 434 A CA 0.620 52.923 52.037 0.442 0.000 0.755 434 A CB 0.253 19.622 19.000 0.615 0.000 0.978 434 A HN 1.034 nan 8.150 nan 0.000 0.507 435 S N 1.788 117.637 115.700 0.247 0.000 2.399 435 S HA -0.180 4.316 4.470 0.044 0.000 0.231 435 S C 1.446 176.055 174.600 0.015 0.000 1.022 435 S CA 1.701 59.970 58.200 0.115 0.000 0.983 435 S CB -1.013 62.276 63.200 0.149 0.000 0.803 435 S HN 1.312 nan 8.310 nan 0.000 0.480 436 T N -0.430 114.095 114.554 -0.049 0.000 3.194 436 T HA 0.308 4.684 4.350 0.044 0.000 0.251 436 T C 0.341 174.975 174.700 -0.110 0.000 1.132 436 T CA -0.437 61.561 62.100 -0.170 0.000 1.028 436 T CB -0.630 67.981 68.868 -0.429 0.000 0.976 436 T HN 0.222 nan 8.240 nan 0.000 0.535 437 L N 3.806 125.005 121.223 -0.039 0.000 2.462 437 L HA 0.237 4.603 4.340 0.044 0.000 0.272 437 L C 1.604 178.430 176.870 -0.073 0.000 1.166 437 L CA 0.508 55.318 54.840 -0.049 0.000 0.880 437 L CB 0.651 42.694 42.059 -0.027 0.000 1.142 437 L HN 0.390 nan 8.230 nan 0.000 0.473 438 T N 0.452 114.915 114.554 -0.151 0.000 2.942 438 T HA -0.038 4.339 4.350 0.044 0.000 0.265 438 T C 0.490 175.182 174.700 -0.014 0.000 1.062 438 T CA 0.027 62.019 62.100 -0.180 0.000 1.139 438 T CB -0.367 68.164 68.868 -0.561 0.000 0.883 438 T HN 0.436 nan 8.240 nan 0.000 0.468 439 W N 3.498 124.809 121.300 0.019 0.000 2.126 439 W HA 0.368 5.054 4.660 0.043 0.000 0.346 439 W C -1.933 174.499 176.519 -0.145 0.000 1.279 439 W CA -2.187 55.139 57.345 -0.031 0.000 1.259 439 W CB 0.013 29.376 29.460 -0.162 0.000 1.133 439 W HN 0.000 nan 8.180 nan 0.000 0.592 440 P HA 0.041 nan 4.420 nan 0.000 0.274 440 P C 0.433 177.657 177.300 -0.126 0.000 1.256 440 P CA -0.052 63.021 63.100 -0.045 0.000 0.795 440 P CB 0.910 32.603 31.700 -0.012 0.000 1.038 441 L N -0.117 121.100 121.223 -0.010 0.000 2.191 441 L HA -0.095 4.271 4.340 0.044 0.000 0.212 441 L C 2.492 179.387 176.870 0.041 0.000 1.103 441 L CA 1.167 56.017 54.840 0.017 0.000 0.769 441 L CB -0.821 41.276 42.059 0.064 0.000 0.908 441 L HN 0.600 nan 8.230 nan 0.000 0.438 442 W N -0.887 120.454 121.300 0.068 0.000 2.525 442 W HA -0.100 4.585 4.660 0.042 0.000 0.259 442 W C 1.643 178.217 176.519 0.091 0.000 1.253 442 W CA 0.356 57.744 57.345 0.071 0.000 1.262 442 W CB -0.685 28.819 29.460 0.073 0.000 1.122 442 W HN 0.181 nan 8.180 nan 0.000 0.607 443 M N 1.257 120.516 119.600 -0.568 0.000 2.562 443 M HA 0.123 4.629 4.480 0.044 0.000 0.257 443 M C 1.846 178.061 176.300 -0.142 0.000 1.099 443 M CA 1.438 56.405 55.300 -0.554 0.000 1.099 443 M CB -0.584 31.532 32.600 -0.808 0.000 1.427 443 M HN 0.187 nan 8.290 nan 0.000 0.489 444 G N 0.780 109.547 108.800 -0.056 0.000 2.596 444 G HA2 -0.294 3.693 3.960 0.044 0.000 0.304 444 G HA3 -0.294 3.693 3.960 0.044 0.000 0.304 444 G C -0.093 174.827 174.900 0.032 0.000 1.189 444 G CA -0.045 45.071 45.100 0.027 0.000 0.986 444 G HN 0.257 nan 8.290 nan 0.000 0.548 445 V N 3.487 123.462 119.914 0.103 0.000 2.277 445 V HA 0.506 4.652 4.120 0.044 0.000 0.269 445 V C -1.913 174.314 176.094 0.222 0.000 1.036 445 V CA -0.844 61.568 62.300 0.186 0.000 0.821 445 V CB 1.204 33.183 31.823 0.260 0.000 1.052 445 V HN 0.559 nan 8.190 nan 0.000 0.462 446 P HA 0.245 nan 4.420 nan 0.000 0.279 446 P C -0.276 177.232 177.300 0.346 0.000 1.252 446 P CA -0.704 62.530 63.100 0.224 0.000 0.811 446 P CB 0.409 32.149 31.700 0.067 0.000 1.035 447 H N 0.846 119.982 119.070 0.109 0.000 3.231 447 H HA 0.161 4.743 4.556 0.043 0.000 0.280 447 H C 1.563 176.756 175.328 -0.225 0.000 0.901 447 H CA 2.526 58.554 56.048 -0.033 0.000 1.414 447 H CB -0.861 28.848 29.762 -0.088 0.000 1.433 447 H HN 0.775 nan 8.280 nan 0.000 0.549 448 G N 3.503 112.010 108.800 -0.488 0.000 2.232 448 G HA2 -0.302 3.684 3.960 0.044 0.000 0.226 448 G HA3 -0.302 3.684 3.960 0.044 0.000 0.226 448 G C 0.635 175.333 174.900 -0.337 0.000 0.996 448 G CA 0.255 45.009 45.100 -0.576 0.000 0.626 448 G HN 0.623 nan 8.290 nan 0.000 0.509 449 Y N 1.833 122.207 120.300 0.124 0.000 2.462 449 Y HA 0.242 4.819 4.550 0.044 0.000 0.293 449 Y C 2.346 178.341 175.900 0.158 0.000 1.195 449 Y CA 0.960 59.196 58.100 0.228 0.000 1.276 449 Y CB 0.366 39.006 38.460 0.299 0.000 1.082 449 Y HN 0.502 nan 8.280 nan 0.000 0.514 450 E N 0.455 120.587 120.200 -0.114 0.000 2.250 450 E HA -0.075 4.301 4.350 0.044 0.000 0.192 450 E C 1.626 178.085 176.600 -0.235 0.000 0.986 450 E CA 0.709 56.715 56.400 -0.656 0.000 0.849 450 E CB -0.382 28.613 29.700 -1.174 0.000 0.797 450 E HN 0.546 nan 8.360 nan 0.000 0.482 451 I N 2.906 123.433 120.570 -0.072 0.000 2.163 451 I HA -0.311 3.885 4.170 0.044 0.000 0.243 451 I C 2.755 178.848 176.117 -0.040 0.000 1.085 451 I CA 2.128 63.433 61.300 0.009 0.000 1.347 451 I CB -0.520 37.563 38.000 0.138 0.000 1.044 451 I HN 0.218 nan 8.210 nan 0.000 0.408 452 E N 1.134 121.258 120.200 -0.127 0.000 2.160 452 E HA -0.247 4.130 4.350 0.044 0.000 0.195 452 E C 2.081 178.420 176.600 -0.435 0.000 0.991 452 E CA 1.565 57.787 56.400 -0.297 0.000 0.810 452 E CB -0.587 28.907 29.700 -0.344 0.000 0.742 452 E HN 0.447 nan 8.360 nan 0.000 0.466 453 F N 1.365 121.173 119.950 -0.237 0.000 2.163 453 F HA -0.060 4.494 4.527 0.044 0.000 0.297 453 F C 2.391 177.933 175.800 -0.430 0.000 1.094 453 F CA 0.611 58.409 58.000 -0.337 0.000 1.290 453 F CB -0.173 38.688 39.000 -0.232 0.000 1.017 453 F HN -0.026 nan 8.300 nan 0.000 0.483 454 I N -0.896 119.493 120.570 -0.301 0.000 2.226 454 I HA -0.282 3.914 4.170 0.044 0.000 0.245 454 I C 2.128 177.994 176.117 -0.418 0.000 1.100 454 I CA 1.642 62.614 61.300 -0.547 0.000 1.374 454 I CB -1.484 36.056 38.000 -0.767 0.000 1.057 454 I HN 0.088 nan 8.210 nan 0.000 0.413 455 F N 0.907 120.667 119.950 -0.317 0.000 2.780 455 F HA 0.200 4.753 4.527 0.043 0.000 0.299 455 F C 1.815 177.480 175.800 -0.226 0.000 1.146 455 F CA 0.876 58.737 58.000 -0.232 0.000 1.428 455 F CB -0.109 38.739 39.000 -0.254 0.000 1.115 455 F HN 0.299 nan 8.300 nan 0.000 0.583 456 G N 0.170 108.817 108.800 -0.256 0.000 2.142 456 G HA2 -0.252 3.734 3.960 0.044 0.000 0.225 456 G HA3 -0.252 3.734 3.960 0.044 0.000 0.225 456 G C 1.038 175.328 174.900 -1.017 0.000 1.015 456 G CA 0.268 45.080 45.100 -0.479 0.000 0.716 456 G HN 0.343 nan 8.290 nan 0.000 0.508 457 L N -0.435 120.257 121.223 -0.886 0.000 2.083 457 L HA -0.055 4.311 4.340 0.044 0.000 0.209 457 L C 0.126 176.491 176.870 -0.843 0.000 1.083 457 L CA 1.937 56.207 54.840 -0.950 0.000 0.752 457 L CB -1.362 40.404 42.059 -0.489 0.000 0.899 457 L HN 0.168 nan 8.230 nan 0.000 0.433 458 P HA -0.153 nan 4.420 nan 0.000 0.229 458 P C 1.608 178.700 177.300 -0.347 0.000 1.150 458 P CA 1.104 63.755 63.100 -0.749 0.000 0.765 458 P CB -0.022 31.180 31.700 -0.830 0.000 0.783 459 L N -1.752 119.193 121.223 -0.464 0.000 2.478 459 L HA 0.033 4.400 4.340 0.044 0.000 0.223 459 L C 0.889 177.701 176.870 -0.096 0.000 1.140 459 L CA 0.457 55.149 54.840 -0.247 0.000 0.842 459 L CB -0.653 41.277 42.059 -0.215 0.000 0.953 459 L HN -0.013 nan 8.230 nan 0.000 0.452 460 D N 1.062 121.380 120.400 -0.136 0.000 2.365 460 D HA 0.130 4.796 4.640 0.044 0.000 0.237 460 D C -1.628 174.704 176.300 0.053 0.000 1.190 460 D CA -2.171 51.871 54.000 0.071 0.000 0.867 460 D CB 1.645 42.541 40.800 0.159 0.000 1.050 460 D HN -0.121 nan 8.370 nan 0.000 0.491 461 P HA -0.126 nan 4.420 nan 0.000 0.218 461 P C 1.160 178.479 177.300 0.032 0.000 1.149 461 P CA 0.931 64.056 63.100 0.042 0.000 0.817 461 P CB 0.051 31.771 31.700 0.033 0.000 0.785 462 S N -1.377 114.340 115.700 0.028 0.000 2.595 462 S HA -0.033 4.463 4.470 0.044 0.000 0.235 462 S C 1.542 176.133 174.600 -0.014 0.000 0.974 462 S CA 0.693 58.896 58.200 0.005 0.000 0.942 462 S CB -1.369 61.834 63.200 0.005 0.000 0.766 462 S HN 0.111 nan 8.310 nan 0.000 0.536 463 L N 0.666 121.891 121.223 0.003 0.000 2.585 463 L HA 0.243 4.609 4.340 0.044 0.000 0.226 463 L C 0.180 176.956 176.870 -0.157 0.000 1.113 463 L CA -0.122 54.687 54.840 -0.052 0.000 0.876 463 L CB -0.455 41.632 42.059 0.047 0.000 1.072 463 L HN 0.251 nan 8.230 nan 0.000 0.468 464 N N -1.555 117.104 118.700 -0.068 0.000 2.776 464 N HA -0.232 4.534 4.740 0.044 0.000 0.249 464 N C -0.603 174.845 175.510 -0.103 0.000 1.111 464 N CA 0.665 53.665 53.050 -0.083 0.000 0.711 464 N CB -1.918 36.502 38.487 -0.112 0.000 1.065 464 N HN 0.269 nan 8.380 nan 0.000 0.556 465 Y N 1.511 121.800 120.300 -0.019 0.000 2.346 465 Y HA 0.149 4.725 4.550 0.043 0.000 0.330 465 Y C 1.912 177.838 175.900 0.043 0.000 1.178 465 Y CA 0.164 58.277 58.100 0.021 0.000 1.331 465 Y CB 0.591 39.050 38.460 -0.003 0.000 1.253 465 Y HN 0.107 nan 8.280 nan 0.000 0.529 466 T N -1.955 112.747 114.554 0.245 0.000 2.855 466 T HA -0.074 4.303 4.350 0.044 0.000 0.314 466 T C 1.318 176.100 174.700 0.137 0.000 1.077 466 T CA 0.051 62.245 62.100 0.157 0.000 1.095 466 T CB 0.938 69.892 68.868 0.144 0.000 0.987 466 T HN 0.822 nan 8.240 nan 0.000 0.546 467 T N 0.317 114.922 114.554 0.084 0.000 2.915 467 T HA -0.066 4.310 4.350 0.044 0.000 0.269 467 T C 1.629 176.361 174.700 0.054 0.000 1.071 467 T CA 1.627 63.763 62.100 0.060 0.000 1.132 467 T CB -0.511 68.379 68.868 0.038 0.000 0.878 467 T HN 0.777 nan 8.240 nan 0.000 0.479 468 E N 0.936 121.166 120.200 0.050 0.000 2.106 468 E HA -0.049 4.328 4.350 0.044 0.000 0.192 468 E C 2.247 178.878 176.600 0.050 0.000 0.984 468 E CA 1.072 57.484 56.400 0.021 0.000 0.806 468 E CB -0.108 29.581 29.700 -0.019 0.000 0.750 468 E HN 0.606 nan 8.360 nan 0.000 0.458 469 E N 0.353 120.625 120.200 0.121 0.000 2.153 469 E HA -0.180 4.196 4.350 0.044 0.000 0.194 469 E C 2.090 178.810 176.600 0.199 0.000 0.988 469 E CA 0.525 57.078 56.400 0.256 0.000 0.811 469 E CB 0.016 30.001 29.700 0.475 0.000 0.746 469 E HN 0.035 nan 8.360 nan 0.000 0.466 470 R N 1.081 121.636 120.500 0.093 0.000 2.075 470 R HA -0.106 4.260 4.340 0.044 0.000 0.232 470 R C 2.113 178.418 176.300 0.007 0.000 1.126 470 R CA 1.040 57.141 56.100 0.002 0.000 0.963 470 R CB -0.326 29.974 30.300 0.001 0.000 0.858 470 R HN 0.212 nan 8.270 nan 0.000 0.435 471 I N 0.492 121.086 120.570 0.040 0.000 2.252 471 I HA -0.267 3.929 4.170 0.044 0.000 0.245 471 I C 2.262 178.423 176.117 0.073 0.000 1.102 471 I CA 0.896 62.216 61.300 0.033 0.000 1.385 471 I CB -0.382 37.635 38.000 0.027 0.000 1.064 471 I HN 0.081 nan 8.210 nan 0.000 0.414 472 F N 2.012 121.909 119.950 -0.088 0.000 2.069 472 F HA -0.283 4.271 4.527 0.045 0.000 0.298 472 F C 2.484 178.248 175.800 -0.061 0.000 1.113 472 F CA 1.378 59.309 58.000 -0.114 0.000 1.214 472 F CB -0.865 38.000 39.000 -0.225 0.000 0.978 472 F HN 0.045 nan 8.300 nan 0.000 0.474 473 A N -0.024 122.730 122.820 -0.109 0.000 1.917 473 A HA -0.286 4.060 4.320 0.044 0.000 0.219 473 A C 2.164 179.612 177.584 -0.226 0.000 1.182 473 A CA 2.057 53.964 52.037 -0.216 0.000 0.633 473 A CB -0.984 17.903 19.000 -0.189 0.000 0.819 473 A HN 0.633 nan 8.150 nan 0.000 0.448 474 Q N -1.016 118.696 119.800 -0.147 0.000 2.124 474 Q HA -0.158 4.208 4.340 0.044 0.000 0.202 474 Q C 2.392 178.291 176.000 -0.168 0.000 0.977 474 Q CA 1.455 57.181 55.803 -0.128 0.000 0.850 474 Q CB -0.171 28.522 28.738 -0.076 0.000 0.901 474 Q HN 0.627 nan 8.270 nan 0.000 0.429 475 R N 0.274 120.661 120.500 -0.188 0.000 2.083 475 R HA -0.123 4.243 4.340 0.044 0.000 0.237 475 R C 2.272 178.281 176.300 -0.484 0.000 1.137 475 R CA 1.225 57.131 56.100 -0.324 0.000 0.951 475 R CB -0.266 29.930 30.300 -0.174 0.000 0.851 475 R HN 0.257 nan 8.270 nan 0.000 0.434 476 L N -0.176 120.846 121.223 -0.334 0.000 2.109 476 L HA -0.123 4.243 4.340 0.044 0.000 0.207 476 L C 2.434 179.242 176.870 -0.103 0.000 1.086 476 L CA 1.113 55.837 54.840 -0.193 0.000 0.760 476 L CB -0.323 41.481 42.059 -0.425 0.000 0.910 476 L HN 0.230 nan 8.230 nan 0.000 0.437 477 M N -0.703 118.788 119.600 -0.183 0.000 2.213 477 M HA -0.166 4.341 4.480 0.044 0.000 0.263 477 M C 2.258 178.555 176.300 -0.004 0.000 1.062 477 M CA 1.461 56.693 55.300 -0.113 0.000 1.105 477 M CB -0.227 32.295 32.600 -0.131 0.000 1.385 477 M HN 0.072 nan 8.290 nan 0.000 0.417 478 K N -0.276 120.087 120.400 -0.063 0.000 2.062 478 K HA -0.099 4.247 4.320 0.044 0.000 0.205 478 K C 1.904 178.564 176.600 0.101 0.000 1.051 478 K CA 1.469 57.732 56.287 -0.039 0.000 0.941 478 K CB -0.188 32.224 32.500 -0.148 0.000 0.719 478 K HN 0.297 nan 8.250 nan 0.000 0.440 479 Y N -0.171 120.273 120.300 0.239 0.000 2.145 479 Y HA -0.221 4.355 4.550 0.043 0.000 0.286 479 Y C 2.408 178.439 175.900 0.217 0.000 1.145 479 Y CA 0.715 58.981 58.100 0.276 0.000 1.148 479 Y CB -0.856 37.918 38.460 0.524 0.000 0.981 479 Y HN 0.206 nan 8.280 nan 0.000 0.507 480 W N 0.695 122.078 121.300 0.139 0.000 2.355 480 W HA -0.230 4.455 4.660 0.043 0.000 0.309 480 W C 2.468 178.998 176.519 0.018 0.000 1.206 480 W CA 2.372 59.733 57.345 0.027 0.000 1.284 480 W CB -0.704 28.692 29.460 -0.107 0.000 1.145 480 W HN 0.223 nan 8.180 nan 0.000 0.502 481 T N -2.139 112.527 114.554 0.187 0.000 2.904 481 T HA -0.123 4.253 4.350 0.044 0.000 0.267 481 T C 1.423 176.157 174.700 0.056 0.000 1.059 481 T CA 1.071 63.214 62.100 0.072 0.000 1.137 481 T CB -0.564 68.324 68.868 0.033 0.000 0.879 481 T HN -0.054 nan 8.240 nan 0.000 0.467 482 N N 0.977 119.729 118.700 0.086 0.000 2.120 482 N HA 0.002 4.768 4.740 0.044 0.000 0.188 482 N C 1.407 176.921 175.510 0.006 0.000 1.024 482 N CA 0.996 54.075 53.050 0.048 0.000 0.852 482 N CB -0.641 37.893 38.487 0.078 0.000 1.003 482 N HN 0.475 nan 8.380 nan 0.000 0.424 483 F N 1.832 121.702 119.950 -0.133 0.000 2.095 483 F HA -0.162 4.392 4.527 0.044 0.000 0.298 483 F C 2.191 177.917 175.800 -0.125 0.000 1.104 483 F CA 1.556 59.429 58.000 -0.211 0.000 1.232 483 F CB -0.429 38.352 39.000 -0.365 0.000 0.987 483 F HN 0.037 nan 8.300 nan 0.000 0.475 484 A N 0.599 123.355 122.820 -0.107 0.000 1.908 484 A HA -0.204 4.142 4.320 0.044 0.000 0.218 484 A C 2.357 179.842 177.584 -0.165 0.000 1.181 484 A CA 1.836 53.782 52.037 -0.153 0.000 0.627 484 A CB -0.770 18.210 19.000 -0.032 0.000 0.818 484 A HN 0.478 nan 8.150 nan 0.000 0.445 485 R N -1.263 119.171 120.500 -0.110 0.000 2.075 485 R HA -0.088 4.279 4.340 0.044 0.000 0.232 485 R C 2.065 178.293 176.300 -0.120 0.000 1.126 485 R CA 1.917 57.966 56.100 -0.084 0.000 0.963 485 R CB -0.207 30.068 30.300 -0.043 0.000 0.858 485 R HN 0.752 nan 8.270 nan 0.000 0.435 486 T N -6.009 108.446 114.554 -0.165 0.000 2.969 486 T HA 0.245 4.621 4.350 0.044 0.000 0.258 486 T C 1.200 175.781 174.700 -0.197 0.000 0.962 486 T CA 0.449 62.464 62.100 -0.142 0.000 0.903 486 T CB 1.366 70.184 68.868 -0.082 0.000 1.177 486 T HN 0.327 nan 8.240 nan 0.000 0.511 487 G N 1.230 109.794 108.800 -0.394 0.000 2.176 487 G HA2 -0.167 3.819 3.960 0.044 0.000 0.253 487 G HA3 -0.167 3.819 3.960 0.044 0.000 0.253 487 G C -0.346 174.468 174.900 -0.143 0.000 0.979 487 G CA 0.198 45.011 45.100 -0.478 0.000 0.641 487 G HN 0.792 nan 8.290 nan 0.000 0.530 488 D N -0.322 119.996 120.400 -0.137 0.000 2.696 488 D HA 0.497 5.163 4.640 0.044 0.000 0.251 488 D C -1.454 174.697 176.300 -0.248 0.000 1.188 488 D CA -1.796 52.094 54.000 -0.184 0.000 0.876 488 D CB 2.277 43.051 40.800 -0.043 0.000 1.334 488 D HN 0.012 nan 8.370 nan 0.000 0.540 489 P HA -0.006 nan 4.420 nan 0.000 0.241 489 P C -0.042 177.262 177.300 0.005 0.000 1.191 489 P CA 0.016 62.941 63.100 -0.293 0.000 0.771 489 P CB 0.397 31.603 31.700 -0.823 0.000 0.929 490 N N 1.691 120.362 118.700 -0.048 0.000 2.520 490 N HA 0.020 4.786 4.740 0.044 0.000 0.273 490 N C 0.061 175.642 175.510 0.119 0.000 1.155 490 N CA 0.213 53.336 53.050 0.121 0.000 0.967 490 N CB 0.414 38.961 38.487 0.099 0.000 1.092 490 N HN -0.014 nan 8.380 nan 0.000 0.457 491 D N 2.640 123.135 120.400 0.158 0.000 2.349 491 D HA 0.030 4.696 4.640 0.044 0.000 0.266 491 D C -1.302 175.043 176.300 0.075 0.000 1.293 491 D CA -1.233 52.830 54.000 0.104 0.000 0.926 491 D CB 0.884 41.744 40.800 0.100 0.000 1.090 491 D HN 0.333 nan 8.370 nan 0.000 0.502 492 P HA -0.011 nan 4.420 nan 0.000 0.241 492 P C -0.038 177.285 177.300 0.038 0.000 1.191 492 P CA 0.363 63.488 63.100 0.042 0.000 0.771 492 P CB 0.388 32.104 31.700 0.027 0.000 0.929 493 R N 0.399 120.922 120.500 0.039 0.000 2.834 493 R HA 0.366 4.733 4.340 0.044 0.000 0.362 493 R C -0.789 175.534 176.300 0.038 0.000 1.147 493 R CA -0.265 55.855 56.100 0.033 0.000 1.125 493 R CB 0.135 30.451 30.300 0.026 0.000 1.361 493 R HN -0.003 nan 8.270 nan 0.000 0.598 494 D N 0.256 120.684 120.400 0.047 0.000 2.470 494 D HA 0.052 4.718 4.640 0.044 0.000 0.233 494 D C -0.908 175.427 176.300 0.059 0.000 1.372 494 D CA -0.313 53.718 54.000 0.052 0.000 0.994 494 D CB 1.683 42.519 40.800 0.059 0.000 1.377 494 D HN 0.013 nan 8.370 nan 0.000 0.586 495 S N 3.665 119.395 115.700 0.050 0.000 2.592 495 S HA 0.544 5.040 4.470 0.044 0.000 0.271 495 S C -0.214 174.419 174.600 0.054 0.000 1.326 495 S CA -0.026 58.204 58.200 0.051 0.000 1.024 495 S CB 0.419 63.643 63.200 0.040 0.000 0.921 495 S HN 0.673 nan 8.310 nan 0.000 0.527 496 K N 1.393 121.827 120.400 0.057 0.000 7.179 496 K HA -0.133 4.213 4.320 0.044 0.000 0.702 496 K C 0.045 176.690 176.600 0.076 0.000 2.556 496 K CA 1.035 57.357 56.287 0.058 0.000 1.884 496 K CB -1.225 31.302 32.500 0.045 0.000 2.172 496 K HN 0.700 nan 8.250 nan 0.000 0.261 497 S N 1.508 117.258 115.700 0.083 0.000 3.770 497 S HA 0.297 4.793 4.470 0.044 0.000 0.238 497 S C -2.183 172.466 174.600 0.083 0.000 1.143 497 S CA 0.074 58.338 58.200 0.106 0.000 0.869 497 S CB -0.249 63.044 63.200 0.155 0.000 1.057 497 S HN 0.704 nan 8.310 nan 0.000 0.507 498 P HA 0.270 nan 4.420 nan 0.000 0.273 498 P C -0.771 176.591 177.300 0.103 0.000 1.250 498 P CA -0.090 63.052 63.100 0.070 0.000 0.793 498 P CB 0.333 32.060 31.700 0.044 0.000 1.011 499 Q N -0.441 119.431 119.800 0.119 0.000 2.392 499 Q HA 0.039 4.405 4.340 0.044 0.000 0.262 499 Q C -0.356 175.784 176.000 0.234 0.000 1.003 499 Q CA 0.271 56.179 55.803 0.175 0.000 0.888 499 Q CB 0.482 29.317 28.738 0.161 0.000 1.260 499 Q HN 0.534 nan 8.270 nan 0.000 0.435 500 W N 6.225 127.558 121.300 0.054 0.000 2.481 500 W HA 0.235 4.922 4.660 0.046 0.000 0.320 500 W C -2.394 174.242 176.519 0.195 0.000 1.209 500 W CA -2.407 54.977 57.345 0.065 0.000 1.400 500 W CB 0.153 29.577 29.460 -0.060 0.000 1.361 500 W HN 0.389 nan 8.180 nan 0.000 0.456 501 P HA 0.294 nan 4.420 nan 0.000 0.284 501 P C -2.633 174.896 177.300 0.382 0.000 1.258 501 P CA -1.920 61.417 63.100 0.394 0.000 0.824 501 P CB 0.871 32.710 31.700 0.233 0.000 1.038 502 P HA 0.014 nan 4.420 nan 0.000 0.266 502 P C -0.591 176.715 177.300 0.010 0.000 1.195 502 P CA 0.357 63.306 63.100 -0.251 0.000 0.768 502 P CB -0.017 31.519 31.700 -0.274 0.000 0.838 503 Y N 3.231 123.479 120.300 -0.087 0.000 2.309 503 Y HA 0.437 5.013 4.550 0.043 0.000 0.327 503 Y C 0.295 176.184 175.900 -0.018 0.000 1.172 503 Y CA 0.514 58.630 58.100 0.026 0.000 1.280 503 Y CB 0.622 39.125 38.460 0.071 0.000 1.234 503 Y HN 0.458 nan 8.280 nan 0.000 0.512 504 T N 0.123 114.393 114.554 -0.473 0.000 2.868 504 T HA 0.230 4.606 4.350 0.044 0.000 0.306 504 T C 0.617 175.055 174.700 -0.437 0.000 1.224 504 T CA -0.237 61.694 62.100 -0.281 0.000 1.012 504 T CB 1.113 69.889 68.868 -0.152 0.000 1.221 504 T HN 0.673 nan 8.240 nan 0.000 0.499 505 T N -0.492 113.950 114.554 -0.187 0.000 2.857 505 T HA 0.079 4.456 4.350 0.044 0.000 0.266 505 T C 2.268 176.902 174.700 -0.111 0.000 1.048 505 T CA 1.024 63.050 62.100 -0.124 0.000 1.139 505 T CB -0.800 68.065 68.868 -0.004 0.000 0.874 505 T HN 0.931 nan 8.240 nan 0.000 0.455 506 A N 2.284 125.049 122.820 -0.090 0.000 1.834 506 A HA 0.304 4.650 4.320 0.044 0.000 0.216 506 A C 2.799 180.337 177.584 -0.077 0.000 1.203 506 A CA 2.151 54.152 52.037 -0.061 0.000 0.621 506 A CB -1.475 17.500 19.000 -0.042 0.000 0.841 506 A HN 0.781 nan 8.150 nan 0.000 0.446 507 A N -2.631 120.125 122.820 -0.106 0.000 2.021 507 A HA 0.183 4.529 4.320 0.044 0.000 0.216 507 A C 1.116 178.634 177.584 -0.110 0.000 1.163 507 A CA 1.101 53.089 52.037 -0.082 0.000 0.676 507 A CB -0.328 18.638 19.000 -0.057 0.000 0.818 507 A HN 0.624 nan 8.150 nan 0.000 0.453 508 Q N -0.697 118.927 119.800 -0.294 0.000 2.475 508 Q HA -0.221 4.145 4.340 0.044 0.000 0.280 508 Q C -0.668 175.342 176.000 0.016 0.000 1.234 508 Q CA 0.692 56.249 55.803 -0.409 0.000 0.873 508 Q CB -1.725 26.960 28.738 -0.088 0.000 1.256 508 Q HN 0.849 nan 8.270 nan 0.000 0.475 509 Q N 0.314 120.127 119.800 0.022 0.000 2.314 509 Q HA 0.438 4.805 4.340 0.044 0.000 0.258 509 Q C -0.391 175.885 176.000 0.460 0.000 0.954 509 Q CA 0.167 56.084 55.803 0.190 0.000 0.890 509 Q CB 0.528 29.330 28.738 0.106 0.000 1.210 509 Q HN 0.338 nan 8.270 nan 0.000 0.410 510 Y N -1.673 118.778 120.300 0.252 0.000 2.609 510 Y HA 0.667 5.243 4.550 0.042 0.000 0.336 510 Y C -1.278 174.668 175.900 0.078 0.000 1.129 510 Y CA -1.542 56.716 58.100 0.262 0.000 1.040 510 Y CB 0.623 39.240 38.460 0.261 0.000 1.310 510 Y HN 0.366 nan 8.280 nan 0.000 0.460 511 V N 0.132 120.034 119.914 -0.019 0.000 2.769 511 V HA 0.843 4.989 4.120 0.044 0.000 0.312 511 V C -0.180 175.854 176.094 -0.100 0.000 1.058 511 V CA -0.447 61.665 62.300 -0.312 0.000 0.952 511 V CB 1.303 32.656 31.823 -0.784 0.000 1.019 511 V HN 1.196 nan 8.190 nan 0.000 0.445 512 S N 4.408 120.034 115.700 -0.123 0.000 2.513 512 S HA 0.689 5.186 4.470 0.044 0.000 0.276 512 S C -0.453 174.107 174.600 -0.066 0.000 1.254 512 S CA -0.679 57.515 58.200 -0.010 0.000 1.053 512 S CB 0.540 63.725 63.200 -0.025 0.000 0.958 512 S HN 0.767 nan 8.310 nan 0.000 0.491 513 L N 4.218 125.451 121.223 0.018 0.000 2.265 513 L HA 0.551 4.918 4.340 0.044 0.000 0.289 513 L C -0.106 176.657 176.870 -0.177 0.000 1.033 513 L CA -0.439 54.430 54.840 0.050 0.000 0.814 513 L CB 0.115 42.324 42.059 0.250 0.000 1.203 513 L HN 0.954 nan 8.230 nan 0.000 0.423 514 N N 2.265 120.754 118.700 -0.352 0.000 3.449 514 N HA 0.304 5.070 4.740 0.044 0.000 0.312 514 N C 0.078 174.964 175.510 -1.040 0.000 1.557 514 N CA -0.941 51.644 53.050 -0.775 0.000 0.864 514 N CB 0.584 38.825 38.487 -0.410 0.000 1.799 514 N HN 0.222 nan 8.380 nan 0.000 0.554 515 L N -0.647 120.035 121.223 -0.903 0.000 2.156 515 L HA 0.107 4.473 4.340 0.044 0.000 0.208 515 L C 0.572 177.227 176.870 -0.359 0.000 1.095 515 L CA 0.891 55.300 54.840 -0.718 0.000 0.770 515 L CB -0.457 41.282 42.059 -0.533 0.000 0.914 515 L HN 0.375 nan 8.230 nan 0.000 0.439 516 K N 0.602 120.843 120.400 -0.265 0.000 2.258 516 K HA 0.187 4.533 4.320 0.044 0.000 0.264 516 K C -2.161 174.370 176.600 -0.114 0.000 1.007 516 K CA -1.840 54.357 56.287 -0.150 0.000 0.941 516 K CB -0.200 32.230 32.500 -0.117 0.000 0.966 516 K HN -0.179 nan 8.250 nan 0.000 0.480 517 P HA -0.069 nan 4.420 nan 0.000 0.269 517 P C -0.183 177.101 177.300 -0.026 0.000 1.211 517 P CA -0.033 63.060 63.100 -0.013 0.000 0.781 517 P CB 0.359 32.059 31.700 0.000 0.000 0.877 518 L N 1.338 122.561 121.223 -0.000 0.000 2.653 518 L HA -0.110 4.256 4.340 0.044 0.000 0.288 518 L C 1.120 177.941 176.870 -0.081 0.000 1.243 518 L CA 1.037 55.836 54.840 -0.069 0.000 0.906 518 L CB -0.284 41.730 42.059 -0.075 0.000 1.154 518 L HN 0.514 nan 8.230 nan 0.000 0.498 519 E N 2.963 123.089 120.200 -0.123 0.000 2.234 519 E HA 0.413 4.789 4.350 0.044 0.000 0.266 519 E C -1.423 175.077 176.600 -0.168 0.000 0.877 519 E CA -0.807 55.525 56.400 -0.114 0.000 0.758 519 E CB 2.048 31.689 29.700 -0.098 0.000 1.170 519 E HN 0.292 nan 8.360 nan 0.000 0.415 520 V N 4.927 124.757 119.914 -0.140 0.000 2.406 520 V HA 0.405 4.551 4.120 0.044 0.000 0.272 520 V C 0.274 176.229 176.094 -0.231 0.000 1.043 520 V CA -0.276 61.922 62.300 -0.171 0.000 0.915 520 V CB 0.869 32.650 31.823 -0.071 0.000 0.988 520 V HN 0.671 nan 8.190 nan 0.000 0.466 521 R N 3.771 123.998 120.500 -0.454 0.000 2.873 521 R HA 0.752 5.118 4.340 0.044 0.000 0.264 521 R C -0.638 175.438 176.300 -0.372 0.000 1.026 521 R CA -0.967 54.842 56.100 -0.484 0.000 1.002 521 R CB 2.156 32.014 30.300 -0.735 0.000 1.174 521 R HN 0.592 nan 8.270 nan 0.000 0.488 522 R N 0.085 120.549 120.500 -0.061 0.000 2.513 522 R HA 0.472 4.839 4.340 0.044 0.000 0.301 522 R C -0.959 175.519 176.300 0.297 0.000 0.968 522 R CA -0.483 55.696 56.100 0.130 0.000 0.872 522 R CB 2.190 32.528 30.300 0.063 0.000 1.177 522 R HN 0.892 nan 8.270 nan 0.000 0.444 523 G N 2.359 111.407 108.800 0.414 0.000 3.402 523 G HA2 -0.193 3.793 3.960 0.044 0.000 0.686 523 G HA3 -0.193 3.793 3.960 0.044 0.000 0.686 523 G C -1.256 173.849 174.900 0.340 0.000 0.983 523 G CA -0.937 44.355 45.100 0.320 0.000 0.821 523 G HN 0.397 nan 8.290 nan 0.000 0.500 524 L N 4.269 125.578 121.223 0.143 0.000 2.352 524 L HA 0.603 4.970 4.340 0.044 0.000 0.272 524 L C 1.449 178.330 176.870 0.017 0.000 1.109 524 L CA -0.518 54.242 54.840 -0.134 0.000 0.952 524 L CB -0.339 41.517 42.059 -0.337 0.000 1.314 524 L HN 0.714 nan 8.230 nan 0.000 0.427 525 R N 2.688 123.243 120.500 0.091 0.000 3.336 525 R HA -0.256 4.110 4.340 0.044 0.000 0.260 525 R C 1.192 177.587 176.300 0.158 0.000 1.032 525 R CA 0.687 56.872 56.100 0.141 0.000 0.693 525 R CB -2.070 28.323 30.300 0.155 0.000 1.134 525 R HN 0.749 nan 8.270 nan 0.000 0.433 526 A N 0.544 123.455 122.820 0.151 0.000 1.902 526 A HA -0.219 4.127 4.320 0.044 0.000 0.217 526 A C 2.067 179.740 177.584 0.147 0.000 1.181 526 A CA 1.139 53.264 52.037 0.146 0.000 0.623 526 A CB -0.076 19.006 19.000 0.136 0.000 0.818 526 A HN 0.380 nan 8.150 nan 0.000 0.443 527 Q N -0.657 119.228 119.800 0.142 0.000 2.079 527 Q HA -0.093 4.274 4.340 0.044 0.000 0.200 527 Q C 2.206 178.320 176.000 0.190 0.000 0.974 527 Q CA 2.033 57.921 55.803 0.142 0.000 0.840 527 Q CB -1.084 27.721 28.738 0.113 0.000 0.898 527 Q HN 0.638 nan 8.270 nan 0.000 0.430 528 T N 0.391 115.081 114.554 0.227 0.000 2.857 528 T HA -0.090 4.286 4.350 0.044 0.000 0.266 528 T C 2.005 176.923 174.700 0.362 0.000 1.048 528 T CA 1.005 63.276 62.100 0.285 0.000 1.139 528 T CB -0.213 68.868 68.868 0.356 0.000 0.874 528 T HN 0.306 nan 8.240 nan 0.000 0.455 529 c N 1.643 120.438 118.600 0.325 0.000 2.446 529 c HA 0.223 4.819 4.570 0.044 0.000 0.279 529 c C 3.119 177.365 174.090 0.260 0.000 1.366 529 c CA 0.050 56.577 56.329 0.329 0.000 1.763 529 c CB -1.373 41.268 42.510 0.218 0.000 1.929 529 c HN 0.636 nan 8.230 nan 0.000 0.509 530 A N 0.259 123.203 122.820 0.206 0.000 1.933 530 A HA -0.206 4.140 4.320 0.044 0.000 0.218 530 A C 1.880 179.567 177.584 0.172 0.000 1.175 530 A CA 1.695 53.831 52.037 0.165 0.000 0.628 530 A CB -0.794 18.289 19.000 0.139 0.000 0.814 530 A HN 0.556 nan 8.150 nan 0.000 0.444 531 F N -0.858 119.081 119.950 -0.018 0.000 2.075 531 F HA -0.172 4.383 4.527 0.047 0.000 0.297 531 F C 1.977 177.722 175.800 -0.091 0.000 1.113 531 F CA 1.779 59.691 58.000 -0.148 0.000 1.218 531 F CB -0.552 38.115 39.000 -0.556 0.000 0.984 531 F HN 0.380 nan 8.300 nan 0.000 0.472 532 W N 0.566 121.830 121.300 -0.060 0.000 2.381 532 W HA -0.138 4.548 4.660 0.042 0.000 0.301 532 W C 2.171 178.632 176.519 -0.097 0.000 1.205 532 W CA 1.003 58.271 57.345 -0.128 0.000 1.285 532 W CB -0.535 28.977 29.460 0.086 0.000 1.133 532 W HN -0.035 nan 8.180 nan 0.000 0.521 533 N N -0.573 118.246 118.700 0.199 0.000 2.415 533 N HA 0.033 4.799 4.740 0.044 0.000 0.176 533 N C 1.486 177.029 175.510 0.055 0.000 1.042 533 N CA 0.896 54.016 53.050 0.116 0.000 0.902 533 N CB -0.136 38.419 38.487 0.113 0.000 0.986 533 N HN 0.225 nan 8.380 nan 0.000 0.447 534 R N -1.526 119.005 120.500 0.051 0.000 2.215 534 R HA 0.233 4.599 4.340 0.044 0.000 0.190 534 R C 1.357 177.677 176.300 0.033 0.000 0.968 534 R CA -0.015 56.114 56.100 0.049 0.000 1.122 534 R CB -0.072 30.281 30.300 0.087 0.000 1.151 534 R HN 0.048 nan 8.270 nan 0.000 0.582 535 F N 1.185 121.052 119.950 -0.138 0.000 2.188 535 F HA 0.049 4.602 4.527 0.045 0.000 0.289 535 F C 1.872 177.518 175.800 -0.257 0.000 1.082 535 F CA 0.738 58.636 58.000 -0.171 0.000 1.282 535 F CB -0.314 38.601 39.000 -0.141 0.000 1.060 535 F HN -0.145 nan 8.300 nan 0.000 0.493 536 L N 1.241 122.138 121.223 -0.543 0.000 2.013 536 L HA -0.156 4.211 4.340 0.044 0.000 0.212 536 L C -0.842 175.786 176.870 -0.404 0.000 1.073 536 L CA 2.237 56.715 54.840 -0.603 0.000 0.753 536 L CB -1.665 40.039 42.059 -0.592 0.000 0.890 536 L HN 0.043 nan 8.230 nan 0.000 0.432 537 P HA -0.214 nan 4.420 nan 0.000 0.216 537 P C 1.282 178.452 177.300 -0.216 0.000 1.153 537 P CA 1.662 64.659 63.100 -0.173 0.000 0.858 537 P CB -0.069 31.570 31.700 -0.102 0.000 0.789 538 K N -1.201 119.024 120.400 -0.291 0.000 2.148 538 K HA -0.092 4.255 4.320 0.044 0.000 0.204 538 K C 1.894 178.285 176.600 -0.348 0.000 1.050 538 K CA 0.810 56.928 56.287 -0.282 0.000 0.942 538 K CB -0.699 31.646 32.500 -0.258 0.000 0.724 538 K HN 0.091 nan 8.250 nan 0.000 0.446 539 L N 1.065 121.968 121.223 -0.533 0.000 2.156 539 L HA -0.076 4.290 4.340 0.044 0.000 0.208 539 L C 1.737 178.467 176.870 -0.233 0.000 1.095 539 L CA 1.449 56.022 54.840 -0.445 0.000 0.770 539 L CB -0.109 41.599 42.059 -0.585 0.000 0.914 539 L HN 0.072 nan 8.230 nan 0.000 0.439 540 L N -1.375 119.726 121.223 -0.204 0.000 2.168 540 L HA -0.017 4.349 4.340 0.044 0.000 0.203 540 L C 2.504 179.315 176.870 -0.099 0.000 1.078 540 L CA 0.994 55.760 54.840 -0.123 0.000 0.780 540 L CB -0.721 41.278 42.059 -0.100 0.000 0.939 540 L HN 0.358 nan 8.230 nan 0.000 0.451 541 S N 0.300 115.935 115.700 -0.109 0.000 2.500 541 S HA -0.066 4.430 4.470 0.044 0.000 0.239 541 S C 1.684 176.241 174.600 -0.070 0.000 0.989 541 S CA 0.838 58.989 58.200 -0.081 0.000 0.951 541 S CB -0.156 62.997 63.200 -0.079 0.000 0.759 541 S HN 0.330 nan 8.310 nan 0.000 0.523 542 A N -0.130 122.641 122.820 -0.082 0.000 2.303 542 A HA 0.468 4.814 4.320 0.044 0.000 0.217 542 A C 1.476 179.031 177.584 -0.049 0.000 1.205 542 A CA 0.503 52.504 52.037 -0.061 0.000 0.875 542 A CB 0.128 19.089 19.000 -0.065 0.000 0.910 542 A HN 0.525 nan 8.150 nan 0.000 0.501 543 T N -1.235 113.287 114.554 -0.054 0.000 1.832 543 T HA 0.730 5.106 4.350 0.044 0.000 0.171 543 T C 0.165 174.844 174.700 -0.035 0.000 0.718 543 T CA 0.477 62.552 62.100 -0.041 0.000 0.980 543 T CB 0.409 69.251 68.868 -0.043 0.000 3.173 543 T HN 1.116 nan 8.240 nan 0.000 0.399 544 A N 0.000 122.799 122.820 -0.035 0.000 2.254 544 A HA 0.000 4.346 4.320 0.044 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.026 19.000 0.044 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486