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 2ha6_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 PMSVTLFGEA 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 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 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.419 56.400 0.032 0.000 0.976 4 E CB 0.000 29.719 29.700 0.031 0.000 0.812 5 D N 5.970 126.405 120.400 0.058 0.000 2.339 5 D HA 0.233 4.895 4.640 0.037 0.000 0.241 5 D C -1.503 174.849 176.300 0.085 0.000 1.183 5 D CA -2.245 51.806 54.000 0.084 0.000 0.859 5 D CB 1.521 42.395 40.800 0.123 0.000 1.067 5 D HN 0.252 nan 8.370 nan 0.000 0.484 6 P HA -0.104 nan 4.420 nan 0.000 0.230 6 P C 0.987 178.318 177.300 0.052 0.000 1.158 6 P CA 0.521 63.650 63.100 0.047 0.000 0.769 6 P CB 0.553 32.265 31.700 0.021 0.000 0.807 7 Q N -0.186 119.644 119.800 0.050 0.000 2.224 7 Q HA 0.016 4.378 4.340 0.037 0.000 0.203 7 Q C 1.922 178.046 176.000 0.205 0.000 0.970 7 Q CA 0.967 56.794 55.803 0.040 0.000 0.865 7 Q CB -0.379 28.256 28.738 -0.171 0.000 0.922 7 Q HN 0.428 nan 8.270 nan 0.000 0.445 8 L N -0.080 121.274 121.223 0.217 0.000 2.628 8 L HA 0.230 4.593 4.340 0.037 0.000 0.229 8 L C 0.388 177.456 176.870 0.330 0.000 1.137 8 L CA -0.127 54.871 54.840 0.263 0.000 0.909 8 L CB 0.231 42.352 42.059 0.104 0.000 1.137 8 L HN -0.025 nan 8.230 nan 0.000 0.470 9 L N 0.981 122.335 121.223 0.219 0.000 2.287 9 L HA 0.527 4.889 4.340 0.037 0.000 0.287 9 L C -0.848 176.052 176.870 0.051 0.000 1.022 9 L CA -0.444 54.486 54.840 0.149 0.000 0.814 9 L CB 2.142 44.251 42.059 0.083 0.000 1.217 9 L HN -0.196 nan 8.230 nan 0.000 0.420 10 V N 3.778 123.684 119.914 -0.013 0.000 2.709 10 V HA 0.454 4.597 4.120 0.037 0.000 0.308 10 V C -0.335 175.672 176.094 -0.144 0.000 1.062 10 V CA -0.805 61.343 62.300 -0.252 0.000 0.901 10 V CB 2.275 33.653 31.823 -0.742 0.000 1.003 10 V HN 0.701 nan 8.190 nan 0.000 0.425 11 R N 3.541 123.937 120.500 -0.172 0.000 2.229 11 R HA 0.713 5.076 4.340 0.037 0.000 0.332 11 R C -0.576 175.636 176.300 -0.148 0.000 0.989 11 R CA -0.328 55.707 56.100 -0.108 0.000 0.842 11 R CB 1.360 31.601 30.300 -0.099 0.000 1.119 11 R HN 0.712 nan 8.270 nan 0.000 0.456 12 V N 1.828 121.705 119.914 -0.063 0.000 3.302 12 V HA 0.450 4.592 4.120 0.037 0.000 0.316 12 V C 1.255 177.272 176.094 -0.127 0.000 1.111 12 V CA -0.818 61.444 62.300 -0.064 0.000 1.029 12 V CB 1.563 33.484 31.823 0.163 0.000 1.170 12 V HN 0.829 nan 8.190 nan 0.000 0.452 13 R N 0.789 121.199 120.500 -0.150 0.000 2.105 13 R HA -0.048 4.314 4.340 0.037 0.000 0.239 13 R C 2.063 178.211 176.300 -0.252 0.000 1.135 13 R CA 1.644 57.643 56.100 -0.169 0.000 0.967 13 R CB -0.742 29.475 30.300 -0.138 0.000 0.861 13 R HN 0.975 nan 8.270 nan 0.000 0.442 14 G N -0.396 108.195 108.800 -0.348 0.000 2.712 14 G HA2 0.250 4.232 3.960 0.037 0.000 0.212 14 G HA3 0.250 4.232 3.960 0.037 0.000 0.212 14 G C 0.486 174.484 174.900 -1.504 0.000 1.142 14 G CA 0.578 45.203 45.100 -0.793 0.000 0.789 14 G HN 0.586 nan 8.290 nan 0.000 0.535 15 G N -1.213 106.972 108.800 -1.025 0.000 2.302 15 G HA2 0.118 4.100 3.960 0.037 0.000 0.264 15 G HA3 0.118 4.100 3.960 0.037 0.000 0.264 15 G C -1.291 173.515 174.900 -0.156 0.000 1.335 15 G CA -0.849 43.778 45.100 -0.788 0.000 0.982 15 G HN 0.233 nan 8.290 nan 0.000 0.473 16 Q N -0.281 119.606 119.800 0.145 0.000 2.222 16 Q HA 0.719 5.081 4.340 0.037 0.000 0.252 16 Q C -0.643 175.640 176.000 0.472 0.000 0.926 16 Q CA -0.394 55.570 55.803 0.268 0.000 0.899 16 Q CB 2.101 30.936 28.738 0.161 0.000 1.250 16 Q HN 0.457 nan 8.270 nan 0.000 0.441 17 L N 1.427 122.843 121.223 0.321 0.000 2.370 17 L HA 0.613 4.976 4.340 0.037 0.000 0.266 17 L C -0.503 176.526 176.870 0.266 0.000 1.002 17 L CA -0.773 54.254 54.840 0.313 0.000 0.818 17 L CB 2.420 44.696 42.059 0.362 0.000 1.325 17 L HN 0.424 nan 8.230 nan 0.000 0.418 18 R N 0.537 121.176 120.500 0.231 0.000 2.439 18 R HA 0.634 4.996 4.340 0.037 0.000 0.310 18 R C -0.226 176.171 176.300 0.162 0.000 0.955 18 R CA -0.320 55.898 56.100 0.198 0.000 0.853 18 R CB 1.763 32.123 30.300 0.100 0.000 1.171 18 R HN 0.806 nan 8.270 nan 0.000 0.449 19 G N 3.239 112.107 108.800 0.114 0.000 2.531 19 G HA2 0.471 4.454 3.960 0.037 0.000 0.281 19 G HA3 0.471 4.454 3.960 0.037 0.000 0.281 19 G C -0.955 173.757 174.900 -0.314 0.000 1.382 19 G CA -0.652 44.227 45.100 -0.368 0.000 1.045 19 G HN 0.592 nan 8.290 nan 0.000 0.533 20 I N -1.128 119.186 120.570 -0.425 0.000 2.686 20 I HA 0.541 4.733 4.170 0.037 0.000 0.295 20 I C -0.316 175.641 176.117 -0.267 0.000 1.114 20 I CA -1.126 60.010 61.300 -0.273 0.000 1.038 20 I CB 2.181 40.034 38.000 -0.244 0.000 1.238 20 I HN 0.468 nan 8.210 nan 0.000 0.420 21 R N 7.390 127.767 120.500 -0.205 0.000 2.234 21 R HA 0.583 4.945 4.340 0.037 0.000 0.324 21 R C -1.618 174.559 176.300 -0.205 0.000 1.054 21 R CA -0.277 55.680 56.100 -0.239 0.000 0.912 21 R CB 0.624 30.713 30.300 -0.350 0.000 1.030 21 R HN 0.650 nan 8.270 nan 0.000 0.455 22 L N 3.466 124.590 121.223 -0.165 0.000 2.322 22 L HA 0.474 4.836 4.340 0.037 0.000 0.269 22 L C -0.203 176.594 176.870 -0.122 0.000 1.012 22 L CA -1.041 53.727 54.840 -0.119 0.000 0.815 22 L CB 1.846 43.870 42.059 -0.058 0.000 1.295 22 L HN 0.538 nan 8.230 nan 0.000 0.438 23 K N 1.577 121.912 120.400 -0.109 0.000 2.264 23 K HA 0.617 4.959 4.320 0.037 0.000 0.277 23 K C -0.688 175.845 176.600 -0.112 0.000 1.067 23 K CA -0.299 55.928 56.287 -0.099 0.000 0.900 23 K CB 1.283 33.736 32.500 -0.078 0.000 1.124 23 K HN 0.691 nan 8.250 nan 0.000 0.469 24 A N 5.267 128.020 122.820 -0.112 0.000 2.282 24 A HA 0.452 4.794 4.320 0.037 0.000 0.319 24 A C -1.890 175.677 177.584 -0.028 0.000 1.121 24 A CA -1.706 50.248 52.037 -0.138 0.000 0.836 24 A CB 0.405 19.305 19.000 -0.166 0.000 1.146 24 A HN 0.655 nan 8.150 nan 0.000 0.494 25 P HA -0.157 nan 4.420 nan 0.000 0.216 25 P C 1.387 178.713 177.300 0.042 0.000 1.154 25 P CA 2.198 65.338 63.100 0.067 0.000 0.865 25 P CB 0.146 31.920 31.700 0.123 0.000 0.789 26 G N -2.227 106.601 108.800 0.046 0.000 2.777 26 G HA2 0.404 4.387 3.960 0.037 0.000 0.211 26 G HA3 0.404 4.387 3.960 0.037 0.000 0.211 26 G C 0.598 175.514 174.900 0.027 0.000 1.149 26 G CA 0.596 45.719 45.100 0.037 0.000 0.785 26 G HN 0.642 nan 8.290 nan 0.000 0.536 27 G N -0.742 108.067 108.800 0.014 0.000 2.341 27 G HA2 0.397 4.379 3.960 0.037 0.000 0.293 27 G HA3 0.397 4.379 3.960 0.037 0.000 0.293 27 G C -3.365 171.527 174.900 -0.014 0.000 1.298 27 G CA -0.672 44.434 45.100 0.010 0.000 0.868 27 G HN 0.026 nan 8.290 nan 0.000 0.540 28 P HA 0.508 nan 4.420 nan 0.000 0.274 28 P C -0.049 177.260 177.300 0.015 0.000 1.231 28 P CA -0.188 62.854 63.100 -0.097 0.000 0.790 28 P CB 1.664 33.183 31.700 -0.302 0.000 0.951 29 V N -1.460 118.455 119.914 0.001 0.000 3.040 29 V HA 0.649 4.791 4.120 0.037 0.000 0.312 29 V C -0.517 175.645 176.094 0.113 0.000 1.115 29 V CA -0.887 61.492 62.300 0.131 0.000 0.998 29 V CB 1.898 33.807 31.823 0.144 0.000 1.042 29 V HN 0.437 nan 8.190 nan 0.000 0.433 30 S N 2.083 117.911 115.700 0.213 0.000 2.457 30 S HA 0.844 5.336 4.470 0.037 0.000 0.289 30 S C 0.046 174.587 174.600 -0.098 0.000 1.163 30 S CA 0.038 58.275 58.200 0.061 0.000 1.078 30 S CB 1.155 64.505 63.200 0.249 0.000 0.987 30 S HN 1.566 nan 8.310 nan 0.000 0.482 31 A N 2.883 125.449 122.820 -0.423 0.000 2.331 31 A HA 0.803 5.145 4.320 0.037 0.000 0.320 31 A C -1.094 175.995 177.584 -0.825 0.000 1.138 31 A CA -0.650 51.034 52.037 -0.588 0.000 0.790 31 A CB 0.338 18.994 19.000 -0.572 0.000 1.206 31 A HN 0.696 nan 8.150 nan 0.000 0.470 32 F N 2.892 122.679 119.950 -0.271 0.000 2.434 32 F HA 0.468 5.018 4.527 0.037 0.000 0.367 32 F C -0.282 175.349 175.800 -0.282 0.000 1.093 32 F CA -0.312 57.607 58.000 -0.135 0.000 1.085 32 F CB 1.164 40.246 39.000 0.137 0.000 1.322 32 F HN 0.324 nan 8.300 nan 0.000 0.452 33 L N 2.112 123.195 121.223 -0.235 0.000 2.329 33 L HA 0.752 5.114 4.340 0.037 0.000 0.279 33 L C 0.824 177.600 176.870 -0.158 0.000 1.014 33 L CA -1.014 53.632 54.840 -0.325 0.000 0.814 33 L CB 1.806 43.471 42.059 -0.657 0.000 1.257 33 L HN 0.805 nan 8.230 nan 0.000 0.424 34 G N 3.118 111.885 108.800 -0.055 0.000 2.212 34 G HA2 -0.230 3.752 3.960 0.037 0.000 0.255 34 G HA3 -0.230 3.752 3.960 0.037 0.000 0.255 34 G C -0.188 174.741 174.900 0.049 0.000 1.062 34 G CA -0.443 44.628 45.100 -0.048 0.000 0.815 34 G HN 0.477 nan 8.290 nan 0.000 0.497 35 I N 2.022 122.643 120.570 0.084 0.000 2.396 35 I HA 0.245 4.438 4.170 0.037 0.000 0.289 35 I C -1.525 174.656 176.117 0.106 0.000 1.056 35 I CA -2.197 59.136 61.300 0.054 0.000 1.365 35 I CB 1.150 39.130 38.000 -0.033 0.000 1.407 35 I HN -0.030 nan 8.210 nan 0.000 0.509 36 P HA 0.050 nan 4.420 nan 0.000 0.276 36 P C -0.199 177.032 177.300 -0.114 0.000 1.235 36 P CA -0.012 62.950 63.100 -0.229 0.000 0.772 36 P CB 0.490 32.057 31.700 -0.222 0.000 0.871 37 F N 1.205 120.992 119.950 -0.271 0.000 2.706 37 F HA 0.713 5.263 4.527 0.037 0.000 0.308 37 F C 0.086 175.879 175.800 -0.012 0.000 1.095 37 F CA -0.689 57.232 58.000 -0.132 0.000 1.244 37 F CB 0.218 39.051 39.000 -0.278 0.000 1.063 37 F HN 0.314 nan 8.300 nan 0.000 0.582 38 A N 0.206 122.708 122.820 -0.530 0.000 2.556 38 A HA 0.564 4.907 4.320 0.037 0.000 0.294 38 A C -0.787 176.625 177.584 -0.286 0.000 1.091 38 A CA -0.800 51.037 52.037 -0.332 0.000 0.704 38 A CB 0.949 19.672 19.000 -0.462 0.000 1.300 38 A HN 0.078 nan 8.150 nan 0.000 0.406 39 E N 1.383 121.501 120.200 -0.137 0.000 2.465 39 E HA 0.177 4.549 4.350 0.037 0.000 0.260 39 E C -2.279 174.222 176.600 -0.165 0.000 0.980 39 E CA -1.158 55.177 56.400 -0.109 0.000 0.927 39 E CB -0.109 29.566 29.700 -0.043 0.000 0.934 39 E HN 0.233 nan 8.360 nan 0.000 0.459 40 P HA -0.015 nan 4.420 nan 0.000 0.260 40 P C -2.217 175.017 177.300 -0.110 0.000 1.185 40 P CA -0.684 62.328 63.100 -0.146 0.000 0.763 40 P CB -0.063 31.587 31.700 -0.083 0.000 0.776 41 P HA 0.027 nan 4.420 nan 0.000 0.220 41 P C -0.413 176.826 177.300 -0.101 0.000 1.806 41 P CA 0.027 63.071 63.100 -0.095 0.000 0.976 41 P CB -0.052 31.596 31.700 -0.088 0.000 1.952 42 V N -2.496 117.365 119.914 -0.089 0.000 2.881 42 V HA 0.900 5.042 4.120 0.037 0.000 0.316 42 V C 0.906 176.953 176.094 -0.078 0.000 1.070 42 V CA 0.167 62.412 62.300 -0.092 0.000 0.976 42 V CB 0.975 32.752 31.823 -0.076 0.000 1.038 42 V HN 0.552 nan 8.190 nan 0.000 0.446 43 G N 3.190 111.941 108.800 -0.082 0.000 2.574 43 G HA2 -0.354 3.628 3.960 0.037 0.000 0.301 43 G HA3 -0.354 3.628 3.960 0.037 0.000 0.301 43 G C 1.304 176.167 174.900 -0.062 0.000 1.166 43 G CA 1.661 46.725 45.100 -0.061 0.000 0.971 43 G HN 2.361 nan 8.290 nan 0.000 0.542 44 S N 0.586 116.265 115.700 -0.035 0.000 2.447 44 S HA 0.033 4.526 4.470 0.037 0.000 0.233 44 S C 2.016 176.603 174.600 -0.022 0.000 1.006 44 S CA 1.594 59.783 58.200 -0.017 0.000 0.957 44 S CB -0.122 63.076 63.200 -0.002 0.000 0.773 44 S HN 0.706 nan 8.310 nan 0.000 0.507 45 R N 0.824 121.299 120.500 -0.042 0.000 2.299 45 R HA 0.208 4.571 4.340 0.037 0.000 0.197 45 R C 1.019 177.271 176.300 -0.079 0.000 0.971 45 R CA -0.120 55.955 56.100 -0.041 0.000 1.030 45 R CB -0.119 30.155 30.300 -0.042 0.000 0.932 45 R HN 0.411 nan 8.270 nan 0.000 0.477 46 R N 0.960 121.364 120.500 -0.160 0.000 2.585 46 R HA -0.154 4.209 4.340 0.037 0.000 0.275 46 R C -0.355 175.731 176.300 -0.356 0.000 1.018 46 R CA 0.592 56.473 56.100 -0.366 0.000 1.072 46 R CB 0.114 30.057 30.300 -0.595 0.000 0.953 46 R HN 0.114 nan 8.270 nan 0.000 0.419 47 F N -0.560 119.398 119.950 0.014 0.000 2.825 47 F HA -0.301 4.249 4.527 0.037 0.000 0.358 47 F C 0.015 175.801 175.800 -0.024 0.000 0.639 47 F CA 0.599 58.582 58.000 -0.028 0.000 1.153 47 F CB -1.546 37.425 39.000 -0.050 0.000 1.610 47 F HN 0.447 nan 8.300 nan 0.000 0.305 48 M N 0.688 120.349 119.600 0.101 0.000 2.528 48 M HA 0.436 4.939 4.480 0.037 0.000 0.318 48 M C -1.979 174.348 176.300 0.045 0.000 1.195 48 M CA -1.597 53.745 55.300 0.070 0.000 1.000 48 M CB 0.874 33.501 32.600 0.044 0.000 1.615 48 M HN -0.365 nan 8.290 nan 0.000 0.469 49 P HA 0.118 nan 4.420 nan 0.000 0.267 49 P C -2.440 174.886 177.300 0.044 0.000 1.200 49 P CA -0.553 62.578 63.100 0.051 0.000 0.772 49 P CB -0.614 31.125 31.700 0.065 0.000 0.855 50 P HA 0.173 nan 4.420 nan 0.000 0.275 50 P C -0.612 176.720 177.300 0.053 0.000 1.228 50 P CA 0.061 63.185 63.100 0.040 0.000 0.786 50 P CB 0.918 32.662 31.700 0.073 0.000 0.927 51 E N 2.996 123.213 120.200 0.029 0.000 2.212 51 E HA 0.417 4.789 4.350 0.037 0.000 0.270 51 E C -2.287 174.347 176.600 0.058 0.000 0.956 51 E CA -2.321 54.106 56.400 0.046 0.000 0.825 51 E CB 0.407 30.125 29.700 0.030 0.000 1.167 51 E HN 0.359 nan 8.360 nan 0.000 0.400 52 P HA -0.019 nan 4.420 nan 0.000 0.269 52 P C -0.813 176.552 177.300 0.108 0.000 1.209 52 P CA -0.335 62.843 63.100 0.130 0.000 0.776 52 P CB 0.439 32.224 31.700 0.140 0.000 0.876 53 K N 3.520 124.008 120.400 0.146 0.000 2.412 53 K HA 0.044 4.387 4.320 0.037 0.000 0.284 53 K C 0.033 176.750 176.600 0.195 0.000 1.046 53 K CA 0.351 56.730 56.287 0.153 0.000 0.999 53 K CB -0.034 32.596 32.500 0.217 0.000 0.941 53 K HN 0.263 nan 8.250 nan 0.000 0.474 54 R N 5.078 125.671 120.500 0.156 0.000 2.679 54 R HA 0.092 4.455 4.340 0.037 0.000 0.268 54 R C -1.963 174.467 176.300 0.216 0.000 1.044 54 R CA -1.387 54.798 56.100 0.143 0.000 1.105 54 R CB -0.136 30.229 30.300 0.108 0.000 0.989 54 R HN 0.565 nan 8.270 nan 0.000 0.447 55 P HA -0.050 nan 4.420 nan 0.000 0.269 55 P C -1.214 176.138 177.300 0.086 0.000 1.215 55 P CA 0.034 63.092 63.100 -0.070 0.000 0.780 55 P CB 0.342 31.955 31.700 -0.146 0.000 0.898 56 W N 0.304 121.638 121.300 0.057 0.000 2.882 56 W HA 0.683 5.365 4.660 0.038 0.000 0.345 56 W C -0.670 175.874 176.519 0.043 0.000 1.125 56 W CA -1.025 56.351 57.345 0.051 0.000 1.167 56 W CB 0.091 29.590 29.460 0.064 0.000 1.431 56 W HN 0.372 nan 8.180 nan 0.000 0.543 57 S N 1.591 117.448 115.700 0.262 0.000 2.632 57 S HA 0.782 5.274 4.470 0.037 0.000 0.271 57 S C 0.627 175.371 174.600 0.240 0.000 1.260 57 S CA 0.173 58.466 58.200 0.155 0.000 1.010 57 S CB 0.778 64.046 63.200 0.113 0.000 0.965 57 S HN 2.187 nan 8.310 nan 0.000 0.534 58 G N 0.249 109.140 108.800 0.151 0.000 2.601 58 G HA2 -0.173 3.810 3.960 0.037 0.000 0.252 58 G HA3 -0.173 3.810 3.960 0.037 0.000 0.252 58 G C -0.601 174.433 174.900 0.225 0.000 1.294 58 G CA -0.232 44.960 45.100 0.154 0.000 0.912 58 G HN 1.679 nan 8.290 nan 0.000 0.574 59 V N 0.773 120.800 119.914 0.188 0.000 2.370 59 V HA 0.552 4.695 4.120 0.037 0.000 0.283 59 V C 0.429 176.623 176.094 0.166 0.000 1.023 59 V CA -0.542 61.879 62.300 0.202 0.000 0.857 59 V CB 1.263 33.163 31.823 0.127 0.000 0.985 59 V HN 0.830 nan 8.190 nan 0.000 0.443 60 L N 4.228 125.559 121.223 0.180 0.000 2.331 60 L HA 0.431 4.794 4.340 0.037 0.000 0.278 60 L C 0.190 177.051 176.870 -0.016 0.000 1.106 60 L CA 0.108 54.914 54.840 -0.056 0.000 0.824 60 L CB 0.987 42.778 42.059 -0.447 0.000 1.142 60 L HN 0.738 nan 8.230 nan 0.000 0.443 61 D N 4.244 124.613 120.400 -0.052 0.000 2.359 61 D HA 0.314 4.976 4.640 0.037 0.000 0.250 61 D C -0.043 176.219 176.300 -0.064 0.000 1.264 61 D CA 0.300 54.275 54.000 -0.042 0.000 0.911 61 D CB 0.773 41.539 40.800 -0.058 0.000 1.056 61 D HN 0.638 nan 8.370 nan 0.000 0.499 62 A N 3.325 126.135 122.820 -0.018 0.000 3.159 62 A HA 0.252 4.594 4.320 0.037 0.000 0.301 62 A C 1.188 178.701 177.584 -0.119 0.000 1.271 62 A CA -0.211 51.811 52.037 -0.024 0.000 0.998 62 A CB -0.335 18.749 19.000 0.141 0.000 1.101 62 A HN 0.560 nan 8.150 nan 0.000 0.610 63 T N -3.384 111.076 114.554 -0.157 0.000 3.023 63 T HA 0.235 4.607 4.350 0.037 0.000 0.253 63 T C 0.695 175.237 174.700 -0.262 0.000 1.038 63 T CA 0.789 62.763 62.100 -0.210 0.000 0.962 63 T CB -0.181 68.596 68.868 -0.151 0.000 1.018 63 T HN 0.633 nan 8.240 nan 0.000 0.521 64 T N -0.404 113.997 114.554 -0.254 0.000 2.903 64 T HA 0.697 5.069 4.350 0.037 0.000 0.299 64 T C -0.787 173.761 174.700 -0.254 0.000 1.093 64 T CA -0.897 61.045 62.100 -0.263 0.000 1.002 64 T CB 1.102 69.880 68.868 -0.150 0.000 1.127 64 T HN -0.007 nan 8.240 nan 0.000 0.488 65 F N 1.972 121.854 119.950 -0.114 0.000 2.553 65 F HA 0.320 4.870 4.527 0.038 0.000 0.356 65 F C 1.459 177.165 175.800 -0.156 0.000 1.142 65 F CA -0.113 57.822 58.000 -0.109 0.000 1.322 65 F CB 0.472 39.437 39.000 -0.059 0.000 1.126 65 F HN 0.492 nan 8.300 nan 0.000 0.599 66 Q N 1.361 121.177 119.800 0.027 0.000 2.162 66 Q HA 0.233 4.595 4.340 0.037 0.000 0.197 66 Q C -0.152 175.787 176.000 -0.101 0.000 1.013 66 Q CA -0.735 54.943 55.803 -0.210 0.000 1.040 66 Q CB 0.599 28.961 28.738 -0.627 0.000 1.114 66 Q HN 0.540 nan 8.270 nan 0.000 0.547 67 N N -0.185 118.430 118.700 -0.141 0.000 2.416 67 N HA 0.034 4.797 4.740 0.037 0.000 0.246 67 N C -0.528 174.968 175.510 -0.024 0.000 1.260 67 N CA 0.103 53.114 53.050 -0.064 0.000 0.897 67 N CB 0.510 38.971 38.487 -0.044 0.000 1.110 67 N HN 0.170 nan 8.380 nan 0.000 0.439 68 V N 1.628 121.509 119.914 -0.055 0.000 2.546 68 V HA 0.067 4.209 4.120 0.037 0.000 0.284 68 V C 0.684 176.743 176.094 -0.059 0.000 1.050 68 V CA -0.812 61.444 62.300 -0.073 0.000 0.981 68 V CB 0.908 32.653 31.823 -0.129 0.000 0.990 68 V HN 0.714 nan 8.190 nan 0.000 0.474 69 c N 4.430 123.009 118.600 -0.034 0.000 2.634 69 c HA 0.067 4.659 4.570 0.037 0.000 0.417 69 c C 0.511 174.567 174.090 -0.058 0.000 1.334 69 c CA -0.528 55.786 56.329 -0.025 0.000 1.829 69 c CB -1.042 41.480 42.510 0.019 0.000 2.665 69 c HN 0.757 nan 8.230 nan 0.000 0.614 70 Y N 4.155 124.324 120.300 -0.218 0.000 2.632 70 Y HA 0.265 4.838 4.550 0.038 0.000 0.329 70 Y C 0.744 176.647 175.900 0.005 0.000 1.174 70 Y CA 0.992 58.955 58.100 -0.228 0.000 1.469 70 Y CB 0.100 38.217 38.460 -0.572 0.000 1.242 70 Y HN 0.763 nan 8.280 nan 0.000 0.540 71 Q N 4.270 123.975 119.800 -0.159 0.000 2.575 71 Q HA 0.228 4.590 4.340 0.037 0.000 0.290 71 Q C -1.779 174.319 176.000 0.163 0.000 0.963 71 Q CA -1.234 54.673 55.803 0.173 0.000 0.783 71 Q CB 1.313 30.138 28.738 0.145 0.000 1.467 71 Q HN 0.659 nan 8.270 nan 0.000 0.402 72 Y N 1.025 121.502 120.300 0.296 0.000 2.610 72 Y HA 0.331 4.903 4.550 0.037 0.000 0.332 72 Y C -1.009 175.024 175.900 0.220 0.000 1.201 72 Y CA 0.396 58.684 58.100 0.315 0.000 1.465 72 Y CB 0.854 39.633 38.460 0.530 0.000 1.283 72 Y HN 0.426 nan 8.280 nan 0.000 0.563 73 V N 6.784 126.429 119.914 -0.450 0.000 2.448 73 V HA 0.121 4.264 4.120 0.037 0.000 0.295 73 V C -0.555 175.223 176.094 -0.527 0.000 1.025 73 V CA -1.071 61.039 62.300 -0.317 0.000 0.859 73 V CB 1.568 33.266 31.823 -0.208 0.000 0.988 73 V HN 0.796 nan 8.190 nan 0.000 0.431 74 D N 2.796 123.131 120.400 -0.108 0.000 2.424 74 D HA 0.270 4.933 4.640 0.037 0.000 0.244 74 D C 1.030 177.358 176.300 0.048 0.000 1.134 74 D CA 0.619 54.675 54.000 0.093 0.000 0.881 74 D CB 1.259 42.264 40.800 0.341 0.000 1.191 74 D HN 0.777 nan 8.370 nan 0.000 0.445 75 T N 0.788 115.385 114.554 0.072 0.000 3.043 75 T HA 0.020 4.392 4.350 0.037 0.000 0.272 75 T C 1.552 176.262 174.700 0.017 0.000 0.990 75 T CA -0.437 61.684 62.100 0.036 0.000 0.897 75 T CB -0.051 68.819 68.868 0.002 0.000 1.111 75 T HN 0.264 nan 8.240 nan 0.000 0.529 76 L N 0.899 122.131 121.223 0.015 0.000 2.013 76 L HA 0.101 4.464 4.340 0.037 0.000 0.212 76 L C -0.224 176.380 176.870 -0.443 0.000 1.073 76 L CA 1.698 56.364 54.840 -0.290 0.000 0.753 76 L CB -0.432 41.338 42.059 -0.482 0.000 0.890 76 L HN 0.434 nan 8.230 nan 0.000 0.432 77 Y N -0.798 119.528 120.300 0.044 0.000 2.592 77 Y HA 0.405 4.977 4.550 0.037 0.000 0.354 77 Y C -2.236 173.703 175.900 0.065 0.000 1.063 77 Y CA -3.409 54.691 58.100 -0.000 0.000 1.205 77 Y CB -0.075 38.325 38.460 -0.099 0.000 1.106 77 Y HN 0.043 nan 8.280 nan 0.000 0.649 78 P HA 0.128 nan 4.420 nan 0.000 0.261 78 P C 1.028 178.389 177.300 0.103 0.000 1.183 78 P CA 1.514 64.675 63.100 0.102 0.000 0.761 78 P CB 0.746 32.478 31.700 0.053 0.000 0.785 79 G N 2.317 111.162 108.800 0.076 0.000 2.179 79 G HA2 -0.284 3.699 3.960 0.037 0.000 0.260 79 G HA3 -0.284 3.699 3.960 0.037 0.000 0.260 79 G C -0.098 174.834 174.900 0.054 0.000 0.977 79 G CA -0.337 44.787 45.100 0.040 0.000 0.641 79 G HN 0.549 nan 8.290 nan 0.000 0.533 80 F N 2.055 121.960 119.950 -0.076 0.000 2.411 80 F HA 0.582 5.131 4.527 0.037 0.000 0.355 80 F C 1.321 177.013 175.800 -0.180 0.000 1.117 80 F CA -0.413 57.488 58.000 -0.165 0.000 1.139 80 F CB 1.119 39.984 39.000 -0.224 0.000 1.120 80 F HN 0.229 nan 8.300 nan 0.000 0.493 81 E N 4.070 123.804 120.200 -0.777 0.000 2.097 81 E HA -0.172 4.201 4.350 0.037 0.000 0.196 81 E C 2.071 178.170 176.600 -0.834 0.000 1.000 81 E CA 1.664 57.655 56.400 -0.681 0.000 0.804 81 E CB -0.402 28.976 29.700 -0.538 0.000 0.740 81 E HN 1.000 nan 8.360 nan 0.000 0.454 82 G N -0.164 107.633 108.800 -1.672 0.000 2.469 82 G HA2 -0.354 3.628 3.960 0.037 0.000 0.220 82 G HA3 -0.354 3.628 3.960 0.037 0.000 0.220 82 G C 1.709 176.644 174.900 0.060 0.000 1.136 82 G CA 1.764 46.229 45.100 -1.058 0.000 0.759 82 G HN 0.515 nan 8.290 nan 0.000 0.562 83 T N -2.094 112.476 114.554 0.027 0.000 2.983 83 T HA 0.131 4.504 4.350 0.037 0.000 0.250 83 T C 1.938 176.831 174.700 0.321 0.000 1.037 83 T CA 0.927 63.365 62.100 0.564 0.000 1.142 83 T CB 0.019 69.269 68.868 0.637 0.000 0.876 83 T HN 0.135 nan 8.240 nan 0.000 0.455 84 E N 2.082 122.306 120.200 0.040 0.000 2.204 84 E HA -0.037 4.336 4.350 0.037 0.000 0.194 84 E C 2.210 178.722 176.600 -0.147 0.000 0.989 84 E CA 1.069 57.452 56.400 -0.028 0.000 0.824 84 E CB -0.428 29.220 29.700 -0.087 0.000 0.756 84 E HN 0.803 nan 8.360 nan 0.000 0.477 85 M N -2.425 116.982 119.600 -0.321 0.000 2.549 85 M HA -0.045 4.457 4.480 0.037 0.000 0.260 85 M C 1.148 177.027 176.300 -0.702 0.000 1.076 85 M CA 1.277 56.231 55.300 -0.578 0.000 1.090 85 M CB -0.475 31.660 32.600 -0.775 0.000 1.418 85 M HN -0.008 nan 8.290 nan 0.000 0.486 86 W N 0.822 122.069 121.300 -0.087 0.000 3.107 86 W HA 0.291 4.973 4.660 0.037 0.000 0.293 86 W C 0.423 176.876 176.519 -0.110 0.000 1.239 86 W CA -0.945 56.332 57.345 -0.114 0.000 1.653 86 W CB -0.104 29.335 29.460 -0.035 0.000 1.068 86 W HN 0.103 nan 8.180 nan 0.000 0.615 87 N N 1.418 120.162 118.700 0.073 0.000 2.467 87 N HA 0.152 4.914 4.740 0.037 0.000 0.262 87 N C -2.437 173.026 175.510 -0.078 0.000 1.234 87 N CA -1.567 51.493 53.050 0.016 0.000 0.952 87 N CB -0.160 38.335 38.487 0.013 0.000 1.158 87 N HN -0.355 nan 8.380 nan 0.000 0.463 88 P HA 0.030 nan 4.420 nan 0.000 0.262 88 P C 0.207 177.428 177.300 -0.131 0.000 1.182 88 P CA 0.155 63.177 63.100 -0.131 0.000 0.761 88 P CB 0.281 31.901 31.700 -0.133 0.000 0.795 89 N N 2.373 120.982 118.700 -0.152 0.000 2.187 89 N HA 0.072 4.835 4.740 0.037 0.000 0.212 89 N C 0.176 175.622 175.510 -0.107 0.000 1.152 89 N CA 0.059 53.027 53.050 -0.136 0.000 0.872 89 N CB 0.431 38.818 38.487 -0.166 0.000 1.025 89 N HN 0.146 nan 8.380 nan 0.000 0.514 90 R N 0.082 120.518 120.500 -0.106 0.000 2.905 90 R HA 0.362 4.724 4.340 0.037 0.000 0.260 90 R C -0.194 176.057 176.300 -0.081 0.000 1.086 90 R CA -0.636 55.419 56.100 -0.077 0.000 0.978 90 R CB 0.660 30.923 30.300 -0.061 0.000 1.215 90 R HN 0.092 nan 8.270 nan 0.000 0.480 91 E N 1.413 121.574 120.200 -0.066 0.000 2.398 91 E HA 0.104 4.477 4.350 0.037 0.000 0.263 91 E C -0.043 176.514 176.600 -0.070 0.000 1.046 91 E CA 0.008 56.371 56.400 -0.061 0.000 0.908 91 E CB 0.584 30.258 29.700 -0.043 0.000 0.963 91 E HN 0.266 nan 8.360 nan 0.000 0.431 92 L N 1.751 122.924 121.223 -0.083 0.000 2.349 92 L HA 0.209 4.572 4.340 0.037 0.000 0.275 92 L C 0.664 177.554 176.870 0.033 0.000 1.115 92 L CA 0.117 54.890 54.840 -0.113 0.000 0.820 92 L CB 0.892 42.736 42.059 -0.358 0.000 1.135 92 L HN 0.344 nan 8.230 nan 0.000 0.445 93 S N 0.849 116.577 115.700 0.047 0.000 2.547 93 S HA 0.213 4.705 4.470 0.037 0.000 0.270 93 S C 0.237 174.829 174.600 -0.013 0.000 1.150 93 S CA -0.641 57.592 58.200 0.055 0.000 0.850 93 S CB 1.688 64.897 63.200 0.014 0.000 1.118 93 S HN 0.738 nan 8.310 nan 0.000 0.461 94 E N 0.813 120.953 120.200 -0.101 0.000 2.285 94 E HA -0.049 4.324 4.350 0.037 0.000 0.194 94 E C -0.343 176.198 176.600 -0.098 0.000 0.997 94 E CA 0.389 56.675 56.400 -0.191 0.000 0.845 94 E CB 0.145 29.681 29.700 -0.272 0.000 0.782 94 E HN 0.510 nan 8.360 nan 0.000 0.491 95 D N 0.400 120.777 120.400 -0.038 0.000 2.435 95 D HA -0.013 4.649 4.640 0.037 0.000 0.230 95 D C 0.023 176.408 176.300 0.142 0.000 1.215 95 D CA -0.225 53.790 54.000 0.025 0.000 0.947 95 D CB 0.030 40.858 40.800 0.047 0.000 1.048 95 D HN 0.137 nan 8.370 nan 0.000 0.512 96 c N 2.673 121.332 118.600 0.099 0.000 3.865 96 c HA 0.378 4.971 4.570 0.037 0.000 0.297 96 c C 0.440 174.615 174.090 0.142 0.000 1.758 96 c CA -0.675 55.772 56.329 0.196 0.000 1.778 96 c CB -1.234 41.323 42.510 0.078 0.000 3.158 96 c HN 0.438 nan 8.230 nan 0.000 0.598 97 L N 2.559 123.610 121.223 -0.287 0.000 2.389 97 L HA 0.472 4.834 4.340 0.037 0.000 0.265 97 L C -0.978 175.289 176.870 -1.005 0.000 1.167 97 L CA 0.262 54.730 54.840 -0.620 0.000 1.045 97 L CB -0.464 41.088 42.059 -0.845 0.000 1.351 97 L HN 0.385 nan 8.230 nan 0.000 0.419 98 Y N 1.903 122.177 120.300 -0.044 0.000 2.576 98 Y HA 0.674 5.246 4.550 0.037 0.000 0.346 98 Y C -0.118 175.950 175.900 0.280 0.000 1.018 98 Y CA -1.242 56.905 58.100 0.079 0.000 1.050 98 Y CB 2.021 40.481 38.460 -0.000 0.000 1.280 98 Y HN 0.199 nan 8.280 nan 0.000 0.474 99 L N -0.320 121.070 121.223 0.280 0.000 2.303 99 L HA 0.796 5.159 4.340 0.037 0.000 0.256 99 L C -1.418 175.454 176.870 0.003 0.000 1.034 99 L CA -1.116 53.777 54.840 0.088 0.000 0.832 99 L CB 1.906 43.858 42.059 -0.180 0.000 1.403 99 L HN 0.490 nan 8.230 nan 0.000 0.419 100 N N 0.081 118.780 118.700 -0.002 0.000 2.249 100 N HA 0.677 5.439 4.740 0.037 0.000 0.296 100 N C -1.603 173.825 175.510 -0.137 0.000 1.051 100 N CA -0.375 52.601 53.050 -0.124 0.000 0.815 100 N CB 2.889 41.323 38.487 -0.089 0.000 1.487 100 N HN 0.509 nan 8.380 nan 0.000 0.475 101 V N 1.732 121.505 119.914 -0.235 0.000 2.531 101 V HA 0.471 4.614 4.120 0.037 0.000 0.301 101 V C -0.667 175.403 176.094 -0.040 0.000 1.034 101 V CA -0.775 61.484 62.300 -0.067 0.000 0.865 101 V CB 2.028 33.690 31.823 -0.268 0.000 0.995 101 V HN 0.535 nan 8.190 nan 0.000 0.424 102 W N 2.988 124.401 121.300 0.188 0.000 2.520 102 W HA 0.664 5.347 4.660 0.038 0.000 0.323 102 W C 0.273 176.919 176.519 0.212 0.000 1.062 102 W CA -0.431 57.026 57.345 0.187 0.000 1.215 102 W CB 2.383 31.924 29.460 0.136 0.000 1.340 102 W HN 0.644 nan 8.180 nan 0.000 0.516 103 T N 0.140 114.967 114.554 0.455 0.000 2.901 103 T HA 0.537 4.910 4.350 0.037 0.000 0.293 103 T C -2.781 172.103 174.700 0.307 0.000 1.084 103 T CA -2.499 59.819 62.100 0.363 0.000 1.008 103 T CB 2.194 71.297 68.868 0.393 0.000 1.170 103 T HN -0.075 nan 8.240 nan 0.000 0.509 104 P HA 0.166 nan 4.420 nan 0.000 0.269 104 P C -1.569 175.877 177.300 0.242 0.000 1.211 104 P CA -0.057 63.164 63.100 0.203 0.000 0.781 104 P CB 0.035 31.821 31.700 0.144 0.000 0.877 105 Y N 3.208 123.567 120.300 0.098 0.000 2.326 105 Y HA 0.426 4.998 4.550 0.037 0.000 0.331 105 Y C -2.202 173.735 175.900 0.061 0.000 0.962 105 Y CA -2.497 55.652 58.100 0.082 0.000 1.167 105 Y CB 1.129 39.622 38.460 0.056 0.000 1.148 105 Y HN 0.336 nan 8.280 nan 0.000 0.463 106 P HA 0.213 nan 4.420 nan 0.000 0.274 106 P C -0.814 176.419 177.300 -0.112 0.000 1.256 106 P CA -0.376 62.472 63.100 -0.421 0.000 0.795 106 P CB 1.052 32.569 31.700 -0.306 0.000 1.038 107 R N 0.590 121.046 120.500 -0.074 0.000 2.679 107 R HA 0.180 4.542 4.340 0.037 0.000 0.268 107 R C -1.851 174.471 176.300 0.038 0.000 1.044 107 R CA -1.112 55.018 56.100 0.050 0.000 1.105 107 R CB -0.800 29.546 30.300 0.075 0.000 0.989 107 R HN 0.415 nan 8.270 nan 0.000 0.447 108 P HA -0.087 nan 4.420 nan 0.000 0.262 108 P C -0.132 177.187 177.300 0.031 0.000 1.182 108 P CA 0.405 63.539 63.100 0.056 0.000 0.761 108 P CB 0.703 32.449 31.700 0.076 0.000 0.795 109 A N 2.864 125.695 122.820 0.019 0.000 1.969 109 A HA -0.013 4.330 4.320 0.037 0.000 0.218 109 A C 0.967 178.556 177.584 0.009 0.000 1.169 109 A CA 1.688 53.730 52.037 0.008 0.000 0.635 109 A CB -0.579 18.424 19.000 0.005 0.000 0.810 109 A HN 0.637 nan 8.150 nan 0.000 0.445 110 S N -2.023 113.686 115.700 0.015 0.000 2.632 110 S HA 0.641 5.134 4.470 0.037 0.000 0.289 110 S C -3.332 171.280 174.600 0.019 0.000 1.115 110 S CA -1.897 56.310 58.200 0.011 0.000 0.889 110 S CB 1.221 64.425 63.200 0.006 0.000 1.116 110 S HN -0.044 nan 8.310 nan 0.000 0.486 111 P HA 0.236 nan 4.420 nan 0.000 0.261 111 P C -0.763 176.549 177.300 0.021 0.000 1.183 111 P CA 0.345 63.457 63.100 0.020 0.000 0.761 111 P CB 0.102 31.805 31.700 0.005 0.000 0.785 112 T N 5.393 119.970 114.554 0.038 0.000 2.824 112 T HA 0.419 4.792 4.350 0.037 0.000 0.282 112 T C -2.524 172.201 174.700 0.041 0.000 0.993 112 T CA -1.882 60.242 62.100 0.041 0.000 0.967 112 T CB 1.149 70.056 68.868 0.065 0.000 0.960 112 T HN 0.114 nan 8.240 nan 0.000 0.441 113 P HA 0.135 nan 4.420 nan 0.000 0.265 113 P C -0.903 176.430 177.300 0.054 0.000 1.187 113 P CA -0.203 62.907 63.100 0.016 0.000 0.766 113 P CB 0.412 32.103 31.700 -0.014 0.000 0.820 114 V N 5.128 125.089 119.914 0.078 0.000 2.435 114 V HA 0.318 4.461 4.120 0.037 0.000 0.290 114 V C 0.273 176.447 176.094 0.134 0.000 1.030 114 V CA -0.513 61.861 62.300 0.122 0.000 0.881 114 V CB 1.310 33.219 31.823 0.144 0.000 0.983 114 V HN 0.371 nan 8.190 nan 0.000 0.445 115 L N 5.839 127.156 121.223 0.156 0.000 2.296 115 L HA 0.597 4.959 4.340 0.037 0.000 0.286 115 L C -0.635 176.476 176.870 0.403 0.000 1.023 115 L CA -0.316 54.636 54.840 0.187 0.000 0.812 115 L CB 1.595 43.632 42.059 -0.037 0.000 1.223 115 L HN 0.500 nan 8.230 nan 0.000 0.421 116 I N 3.069 123.916 120.570 0.462 0.000 2.362 116 I HA 0.216 4.409 4.170 0.037 0.000 0.289 116 I C -0.636 175.781 176.117 0.499 0.000 0.994 116 I CA -0.446 61.103 61.300 0.415 0.000 1.158 116 I CB 1.511 39.623 38.000 0.187 0.000 1.315 116 I HN 0.632 nan 8.210 nan 0.000 0.451 117 W N 8.538 129.949 121.300 0.185 0.000 2.351 117 W HA 0.561 5.243 4.660 0.037 0.000 0.311 117 W C -1.517 174.895 176.519 -0.178 0.000 1.168 117 W CA -0.603 56.588 57.345 -0.256 0.000 1.200 117 W CB 1.169 30.490 29.460 -0.232 0.000 1.221 117 W HN 0.360 nan 8.180 nan 0.000 0.519 118 I N 9.139 129.047 120.570 -1.102 0.000 2.382 118 I HA 0.080 4.272 4.170 0.037 0.000 0.285 118 I C -0.219 175.132 176.117 -1.277 0.000 1.007 118 I CA -1.119 59.630 61.300 -0.918 0.000 1.142 118 I CB 0.690 38.323 38.000 -0.612 0.000 1.289 118 I HN 0.297 nan 8.210 nan 0.000 0.453 119 Y N 4.593 124.441 120.300 -0.753 0.000 2.426 119 Y HA 0.693 5.266 4.550 0.037 0.000 0.344 119 Y C 0.727 176.462 175.900 -0.276 0.000 1.256 119 Y CA -0.888 56.889 58.100 -0.539 0.000 1.451 119 Y CB -0.048 38.297 38.460 -0.191 0.000 1.342 119 Y HN 0.513 nan 8.280 nan 0.000 0.600 120 G N -1.059 107.768 108.800 0.044 0.000 2.568 120 G HA2 0.501 4.484 3.960 0.037 0.000 0.293 120 G HA3 0.501 4.484 3.960 0.037 0.000 0.293 120 G C 0.215 175.053 174.900 -0.103 0.000 1.347 120 G CA -0.930 44.111 45.100 -0.099 0.000 1.039 120 G HN 1.698 nan 8.290 nan 0.000 0.523 121 G N -2.732 105.842 108.800 -0.376 0.000 2.332 121 G HA2 0.414 4.396 3.960 0.037 0.000 0.216 121 G HA3 0.414 4.396 3.960 0.037 0.000 0.216 121 G C 0.991 175.353 174.900 -0.897 0.000 1.041 121 G CA 0.729 45.484 45.100 -0.575 0.000 0.836 121 G HN 2.319 nan 8.290 nan 0.000 0.530 122 G N -0.296 107.944 108.800 -0.935 0.000 2.203 122 G HA2 -0.147 3.836 3.960 0.037 0.000 0.263 122 G HA3 -0.147 3.836 3.960 0.037 0.000 0.263 122 G C 0.905 175.485 174.900 -0.533 0.000 1.012 122 G CA 0.659 44.919 45.100 -1.401 0.000 0.749 122 G HN 1.733 nan 8.290 nan 0.000 0.512 123 F N -3.097 116.708 119.950 -0.242 0.000 3.021 123 F HA -0.326 4.223 4.527 0.038 0.000 0.294 123 F C 1.448 177.370 175.800 0.203 0.000 0.761 123 F CA 2.169 60.173 58.000 0.006 0.000 1.102 123 F CB -2.120 36.726 39.000 -0.257 0.000 1.380 123 F HN 0.921 nan 8.300 nan 0.000 0.387 124 Y N -1.140 119.300 120.300 0.234 0.000 2.500 124 Y HA 0.646 5.218 4.550 0.037 0.000 0.246 124 Y C 0.518 176.582 175.900 0.273 0.000 1.146 124 Y CA 0.135 58.424 58.100 0.315 0.000 1.230 124 Y CB 0.016 38.711 38.460 0.391 0.000 1.214 124 Y HN 0.105 nan 8.280 nan 0.000 0.526 125 S N -0.957 114.580 115.700 -0.272 0.000 2.661 125 S HA 0.827 5.320 4.470 0.037 0.000 0.268 125 S C -0.240 174.200 174.600 -0.267 0.000 1.162 125 S CA -0.470 57.582 58.200 -0.246 0.000 0.817 125 S CB 1.317 64.257 63.200 -0.433 0.000 1.141 125 S HN 1.450 nan 8.310 nan 0.000 0.477 126 G N -0.593 108.013 108.800 -0.324 0.000 2.515 126 G HA2 0.541 4.524 3.960 0.037 0.000 0.686 126 G HA3 0.541 4.524 3.960 0.037 0.000 0.686 126 G C -0.608 173.674 174.900 -1.031 0.000 1.274 126 G CA -0.248 44.480 45.100 -0.620 0.000 0.874 126 G HN 2.223 nan 8.290 nan 0.000 0.631 127 A N -0.766 121.401 122.820 -1.088 0.000 2.604 127 A HA 1.023 5.366 4.320 0.037 0.000 0.295 127 A C 0.681 178.087 177.584 -0.297 0.000 1.067 127 A CA 0.543 52.156 52.037 -0.706 0.000 0.683 127 A CB 1.089 19.885 19.000 -0.340 0.000 1.281 127 A HN 2.583 nan 8.150 nan 0.000 0.407 128 A N 0.384 123.243 122.820 0.065 0.000 2.206 128 A HA 0.221 4.564 4.320 0.037 0.000 0.211 128 A C 1.701 179.279 177.584 -0.011 0.000 1.158 128 A CA 1.769 53.980 52.037 0.289 0.000 0.761 128 A CB -0.591 18.647 19.000 0.397 0.000 0.801 128 A HN 1.738 nan 8.150 nan 0.000 0.473 129 S N -0.491 114.974 115.700 -0.393 0.000 2.575 129 S HA 0.301 4.794 4.470 0.037 0.000 0.215 129 S C 0.512 174.698 174.600 -0.689 0.000 0.966 129 S CA -0.437 57.089 58.200 -1.122 0.000 0.911 129 S CB -0.574 61.975 63.200 -1.086 0.000 0.780 129 S HN 0.392 nan 8.310 nan 0.000 0.514 130 L N 2.183 123.154 121.223 -0.420 0.000 2.461 130 L HA 0.180 4.542 4.340 0.037 0.000 0.272 130 L C 1.132 177.680 176.870 -0.537 0.000 1.197 130 L CA -0.497 54.037 54.840 -0.511 0.000 0.836 130 L CB 0.189 41.819 42.059 -0.714 0.000 1.105 130 L HN 0.040 nan 8.230 nan 0.000 0.477 131 D N 1.083 121.205 120.400 -0.463 0.000 2.149 131 D HA -0.151 4.511 4.640 0.037 0.000 0.198 131 D C 2.012 178.041 176.300 -0.452 0.000 0.990 131 D CA 1.369 55.160 54.000 -0.350 0.000 0.839 131 D CB -0.054 40.576 40.800 -0.283 0.000 0.948 131 D HN 0.536 nan 8.370 nan 0.000 0.460 132 V N -1.364 118.138 119.914 -0.686 0.000 3.078 132 V HA -0.160 3.982 4.120 0.037 0.000 0.265 132 V C 1.095 176.631 176.094 -0.930 0.000 1.122 132 V CA 1.086 62.960 62.300 -0.711 0.000 1.141 132 V CB -1.104 30.274 31.823 -0.742 0.000 0.735 132 V HN 0.082 nan 8.190 nan 0.000 0.498 133 Y N 0.164 119.891 120.300 -0.956 0.000 2.524 133 Y HA 0.438 5.011 4.550 0.037 0.000 0.266 133 Y C 0.899 176.106 175.900 -1.155 0.000 1.180 133 Y CA -1.823 55.306 58.100 -1.618 0.000 1.244 133 Y CB -0.839 37.069 38.460 -0.919 0.000 1.125 133 Y HN 0.256 nan 8.280 nan 0.000 0.524 134 D N 0.891 120.945 120.400 -0.577 0.000 2.389 134 D HA 0.021 4.684 4.640 0.037 0.000 0.263 134 D C 1.419 177.382 176.300 -0.561 0.000 1.255 134 D CA 0.506 54.267 54.000 -0.399 0.000 0.914 134 D CB 1.195 41.922 40.800 -0.123 0.000 1.116 134 D HN 0.460 nan 8.370 nan 0.000 0.502 135 G N 4.267 112.166 108.800 -1.502 0.000 2.848 135 G HA2 -0.172 3.811 3.960 0.037 0.000 0.208 135 G HA3 -0.172 3.811 3.960 0.037 0.000 0.208 135 G C 1.495 175.853 174.900 -0.903 0.000 1.152 135 G CA 0.019 44.387 45.100 -1.219 0.000 0.789 135 G HN 0.590 nan 8.290 nan 0.000 0.531 136 R N -0.384 119.561 120.500 -0.925 0.000 2.115 136 R HA 0.015 4.378 4.340 0.037 0.000 0.230 136 R C 1.617 177.680 176.300 -0.396 0.000 1.111 136 R CA 0.911 56.686 56.100 -0.541 0.000 0.976 136 R CB -0.715 29.286 30.300 -0.497 0.000 0.870 136 R HN 0.339 nan 8.270 nan 0.000 0.445 137 F N 1.701 121.570 119.950 -0.135 0.000 2.128 137 F HA 0.058 4.608 4.527 0.038 0.000 0.295 137 F C 2.413 178.170 175.800 -0.072 0.000 1.100 137 F CA 0.772 58.720 58.000 -0.087 0.000 1.260 137 F CB -0.571 38.370 39.000 -0.100 0.000 1.009 137 F HN -0.157 nan 8.300 nan 0.000 0.476 138 L N -0.194 121.086 121.223 0.096 0.000 2.083 138 L HA -0.200 4.162 4.340 0.037 0.000 0.209 138 L C 2.703 179.597 176.870 0.039 0.000 1.083 138 L CA 1.120 55.974 54.840 0.024 0.000 0.752 138 L CB -0.935 41.104 42.059 -0.033 0.000 0.899 138 L HN 0.178 nan 8.230 nan 0.000 0.433 139 A N -0.919 121.928 122.820 0.045 0.000 1.858 139 A HA -0.239 4.103 4.320 0.037 0.000 0.216 139 A C 2.292 179.928 177.584 0.086 0.000 1.190 139 A CA 1.559 53.657 52.037 0.101 0.000 0.617 139 A CB -0.512 18.590 19.000 0.169 0.000 0.827 139 A HN 0.377 nan 8.150 nan 0.000 0.443 140 Q N -0.107 119.726 119.800 0.055 0.000 2.020 140 Q HA -0.086 4.277 4.340 0.037 0.000 0.198 140 Q C 2.245 178.280 176.000 0.059 0.000 0.974 140 Q CA 2.095 57.932 55.803 0.057 0.000 0.829 140 Q CB -0.394 28.359 28.738 0.026 0.000 0.894 140 Q HN 0.396 nan 8.270 nan 0.000 0.433 141 V N 1.363 121.312 119.914 0.059 0.000 2.323 141 V HA -0.134 4.008 4.120 0.037 0.000 0.244 141 V C 1.817 177.931 176.094 0.033 0.000 1.041 141 V CA 1.682 64.011 62.300 0.047 0.000 1.025 141 V CB -0.233 31.620 31.823 0.049 0.000 0.656 141 V HN 0.264 nan 8.190 nan 0.000 0.451 142 E N -0.368 119.850 120.200 0.031 0.000 2.481 142 E HA 0.198 4.570 4.350 0.037 0.000 0.198 142 E C 1.687 178.308 176.600 0.034 0.000 1.027 142 E CA 0.722 57.135 56.400 0.022 0.000 0.900 142 E CB 0.507 30.212 29.700 0.008 0.000 0.993 142 E HN 0.605 nan 8.360 nan 0.000 0.482 143 G N 1.748 110.579 108.800 0.052 0.000 2.179 143 G HA2 -0.320 3.662 3.960 0.037 0.000 0.257 143 G HA3 -0.320 3.662 3.960 0.037 0.000 0.257 143 G C 0.522 175.469 174.900 0.077 0.000 1.010 143 G CA 0.404 45.544 45.100 0.067 0.000 0.736 143 G HN 0.478 nan 8.290 nan 0.000 0.513 144 A N -0.789 122.078 122.820 0.077 0.000 2.351 144 A HA 0.683 5.026 4.320 0.037 0.000 0.257 144 A C 0.552 178.221 177.584 0.142 0.000 1.087 144 A CA 0.161 52.250 52.037 0.086 0.000 0.798 144 A CB 1.093 20.127 19.000 0.058 0.000 1.033 144 A HN 1.122 nan 8.150 nan 0.000 0.488 145 V N 2.912 122.916 119.914 0.150 0.000 2.364 145 V HA 0.354 4.496 4.120 0.037 0.000 0.272 145 V C -0.125 176.106 176.094 0.228 0.000 1.036 145 V CA -0.066 62.354 62.300 0.200 0.000 0.880 145 V CB 0.738 32.666 31.823 0.175 0.000 0.991 145 V HN 0.711 nan 8.190 nan 0.000 0.460 146 L N 6.482 127.899 121.223 0.322 0.000 2.333 146 L HA 0.736 5.099 4.340 0.037 0.000 0.280 146 L C -0.765 176.401 176.870 0.493 0.000 1.004 146 L CA -0.222 54.864 54.840 0.410 0.000 0.820 146 L CB 1.809 44.120 42.059 0.419 0.000 1.247 146 L HN 0.444 nan 8.230 nan 0.000 0.416 147 V N 3.026 123.204 119.914 0.439 0.000 2.680 147 V HA 0.739 4.881 4.120 0.037 0.000 0.309 147 V C -0.392 175.962 176.094 0.435 0.000 1.052 147 V CA -0.465 62.050 62.300 0.357 0.000 0.908 147 V CB 1.951 33.899 31.823 0.208 0.000 1.001 147 V HN 0.842 nan 8.190 nan 0.000 0.431 148 S N 4.863 120.808 115.700 0.408 0.000 2.541 148 S HA 0.877 5.370 4.470 0.037 0.000 0.280 148 S C -0.863 173.887 174.600 0.250 0.000 1.112 148 S CA -0.817 57.623 58.200 0.399 0.000 0.925 148 S CB 2.244 65.798 63.200 0.591 0.000 1.067 148 S HN 0.898 nan 8.310 nan 0.000 0.479 149 M N 1.462 121.175 119.600 0.188 0.000 2.535 149 M HA 0.633 5.135 4.480 0.037 0.000 0.314 149 M C -1.731 174.762 176.300 0.322 0.000 1.153 149 M CA -0.574 54.829 55.300 0.171 0.000 0.924 149 M CB 1.197 33.745 32.600 -0.088 0.000 1.710 149 M HN 0.547 nan 8.290 nan 0.000 0.451 150 N N 3.204 122.151 118.700 0.412 0.000 2.520 150 N HA 0.500 5.262 4.740 0.037 0.000 0.273 150 N C -1.355 174.404 175.510 0.414 0.000 1.155 150 N CA 0.170 53.475 53.050 0.426 0.000 0.967 150 N CB 0.370 39.054 38.487 0.329 0.000 1.092 150 N HN 0.714 nan 8.380 nan 0.000 0.457 151 Y N -1.453 118.991 120.300 0.240 0.000 2.545 151 Y HA 0.580 5.153 4.550 0.037 0.000 0.348 151 Y C -0.024 176.004 175.900 0.214 0.000 1.002 151 Y CA -1.359 56.847 58.100 0.176 0.000 1.039 151 Y CB 0.972 39.465 38.460 0.056 0.000 1.271 151 Y HN 0.194 nan 8.280 nan 0.000 0.467 152 R N 1.900 122.545 120.500 0.241 0.000 2.537 152 R HA 0.497 4.860 4.340 0.037 0.000 0.280 152 R C -0.382 176.084 176.300 0.277 0.000 1.058 152 R CA -0.279 55.923 56.100 0.171 0.000 1.057 152 R CB 0.946 31.314 30.300 0.114 0.000 0.973 152 R HN 0.729 nan 8.270 nan 0.000 0.438 153 V N -0.163 119.949 119.914 0.331 0.000 3.113 153 V HA 0.897 5.040 4.120 0.037 0.000 0.316 153 V C 0.682 177.110 176.094 0.557 0.000 1.125 153 V CA -0.092 62.515 62.300 0.512 0.000 1.026 153 V CB 1.253 33.282 31.823 0.342 0.000 1.080 153 V HN 0.974 nan 8.190 nan 0.000 0.444 154 G N 1.915 111.079 108.800 0.608 0.000 2.575 154 G HA2 -0.264 3.718 3.960 0.037 0.000 0.267 154 G HA3 -0.264 3.718 3.960 0.037 0.000 0.267 154 G C 0.981 176.021 174.900 0.233 0.000 1.264 154 G CA 1.258 46.628 45.100 0.450 0.000 0.935 154 G HN 2.399 nan 8.290 nan 0.000 0.568 155 T N -1.859 112.549 114.554 -0.243 0.000 2.737 155 T HA -0.149 4.224 4.350 0.037 0.000 0.269 155 T C 2.103 176.672 174.700 -0.217 0.000 1.040 155 T CA 2.686 64.402 62.100 -0.640 0.000 1.142 155 T CB -0.410 67.915 68.868 -0.906 0.000 0.861 155 T HN 0.628 nan 8.240 nan 0.000 0.456 156 F N 2.014 122.032 119.950 0.115 0.000 2.234 156 F HA 0.268 4.817 4.527 0.037 0.000 0.299 156 F C 2.724 178.539 175.800 0.025 0.000 1.087 156 F CA 0.742 58.778 58.000 0.060 0.000 1.340 156 F CB -0.768 38.234 39.000 0.003 0.000 1.031 156 F HN 0.384 nan 8.300 nan 0.000 0.500 157 G N -2.232 106.650 108.800 0.137 0.000 2.762 157 G HA2 0.045 4.027 3.960 0.037 0.000 0.209 157 G HA3 0.045 4.027 3.960 0.037 0.000 0.209 157 G C 0.839 175.281 174.900 -0.763 0.000 1.134 157 G CA 0.184 45.109 45.100 -0.291 0.000 0.781 157 G HN 0.325 nan 8.290 nan 0.000 0.528 158 F N -0.564 119.474 119.950 0.146 0.000 2.915 158 F HA 0.433 4.983 4.527 0.038 0.000 0.347 158 F C 0.463 176.327 175.800 0.106 0.000 1.104 158 F CA -1.027 57.037 58.000 0.106 0.000 1.126 158 F CB 0.359 39.438 39.000 0.131 0.000 1.145 158 F HN -0.093 nan 8.300 nan 0.000 0.541 159 L N 2.135 123.391 121.223 0.054 0.000 2.513 159 L HA 0.510 4.873 4.340 0.037 0.000 0.272 159 L C -0.021 176.792 176.870 -0.096 0.000 1.187 159 L CA 0.074 54.830 54.840 -0.140 0.000 0.895 159 L CB 0.374 42.061 42.059 -0.620 0.000 1.147 159 L HN 0.126 nan 8.230 nan 0.000 0.483 160 A N 6.225 129.037 122.820 -0.014 0.000 2.398 160 A HA 0.669 5.011 4.320 0.037 0.000 0.301 160 A C -1.134 176.421 177.584 -0.047 0.000 1.041 160 A CA -0.575 51.446 52.037 -0.026 0.000 0.711 160 A CB 1.272 20.292 19.000 0.034 0.000 1.240 160 A HN 0.693 nan 8.150 nan 0.000 0.420 161 L N 3.521 124.703 121.223 -0.069 0.000 2.371 161 L HA 0.326 4.688 4.340 0.037 0.000 0.262 161 L C -2.432 174.424 176.870 -0.024 0.000 1.054 161 L CA -1.693 53.117 54.840 -0.050 0.000 0.924 161 L CB 1.413 43.430 42.059 -0.070 0.000 1.295 161 L HN 0.407 nan 8.230 nan 0.000 0.441 162 P HA 0.046 nan 4.420 nan 0.000 0.264 162 P C 0.980 178.279 177.300 -0.001 0.000 1.183 162 P CA 0.806 63.906 63.100 -0.001 0.000 0.763 162 P CB 0.838 32.538 31.700 0.001 0.000 0.807 163 G N 1.705 110.508 108.800 0.006 0.000 2.199 163 G HA2 -0.243 3.740 3.960 0.037 0.000 0.254 163 G HA3 -0.243 3.740 3.960 0.037 0.000 0.254 163 G C 0.363 175.266 174.900 0.006 0.000 0.982 163 G CA 0.279 45.383 45.100 0.006 0.000 0.632 163 G HN 0.798 nan 8.290 nan 0.000 0.529 164 S N -0.297 115.404 115.700 0.002 0.000 2.601 164 S HA 0.614 5.107 4.470 0.037 0.000 0.271 164 S C 1.246 175.853 174.600 0.012 0.000 1.305 164 S CA 0.373 58.574 58.200 0.002 0.000 1.022 164 S CB 2.073 65.267 63.200 -0.010 0.000 0.940 164 S HN 0.517 nan 8.310 nan 0.000 0.525 165 R N 0.937 121.447 120.500 0.016 0.000 2.090 165 R HA -0.047 4.316 4.340 0.037 0.000 0.228 165 R C 1.458 177.778 176.300 0.033 0.000 1.110 165 R CA 1.497 57.612 56.100 0.024 0.000 0.973 165 R CB -0.128 30.186 30.300 0.023 0.000 0.869 165 R HN 0.928 nan 8.270 nan 0.000 0.440 166 E N -0.913 119.307 120.200 0.034 0.000 2.476 166 E HA 0.090 4.462 4.350 0.037 0.000 0.199 166 E C -0.295 176.350 176.600 0.076 0.000 1.021 166 E CA 0.282 56.717 56.400 0.057 0.000 0.907 166 E CB 1.051 30.786 29.700 0.059 0.000 0.974 166 E HN 0.228 nan 8.360 nan 0.000 0.489 167 A N 2.704 125.539 122.820 0.026 0.000 3.370 167 A HA 0.345 4.688 4.320 0.037 0.000 0.295 167 A C -2.165 175.414 177.584 -0.008 0.000 1.030 167 A CA -0.963 51.071 52.037 -0.005 0.000 0.883 167 A CB 0.821 19.725 19.000 -0.159 0.000 1.191 167 A HN -0.065 nan 8.150 nan 0.000 0.507 168 P HA 0.157 nan 4.420 nan 0.000 0.233 168 P C 0.880 178.194 177.300 0.024 0.000 1.167 168 P CA 1.663 64.777 63.100 0.024 0.000 0.770 168 P CB 0.154 31.877 31.700 0.039 0.000 0.837 169 G N 0.843 109.654 108.800 0.019 0.000 2.699 169 G HA2 -0.173 3.809 3.960 0.037 0.000 0.686 169 G HA3 -0.173 3.809 3.960 0.037 0.000 0.686 169 G C -0.114 174.785 174.900 -0.001 0.000 1.301 169 G CA -0.310 44.804 45.100 0.024 0.000 0.816 169 G HN 0.128 nan 8.290 nan 0.000 0.595 170 N N -2.349 116.347 118.700 -0.008 0.000 2.800 170 N HA -0.273 4.490 4.740 0.037 0.000 0.250 170 N C 1.835 177.206 175.510 -0.231 0.000 1.078 170 N CA 2.345 55.332 53.050 -0.104 0.000 0.804 170 N CB -1.644 36.733 38.487 -0.184 0.000 1.135 170 N HN 1.902 nan 8.380 nan 0.000 0.565 171 V N -2.801 116.967 119.914 -0.244 0.000 2.626 171 V HA 0.042 4.184 4.120 0.037 0.000 0.252 171 V C 2.291 178.262 176.094 -0.206 0.000 1.067 171 V CA 2.237 64.442 62.300 -0.159 0.000 1.081 171 V CB -0.804 30.978 31.823 -0.068 0.000 0.686 171 V HN 0.259 nan 8.190 nan 0.000 0.468 172 G N 0.357 108.852 108.800 -0.509 0.000 2.422 172 G HA2 -0.108 3.874 3.960 0.037 0.000 0.218 172 G HA3 -0.108 3.874 3.960 0.037 0.000 0.218 172 G C 1.547 176.409 174.900 -0.062 0.000 1.140 172 G CA 1.033 45.974 45.100 -0.264 0.000 0.775 172 G HN 0.531 nan 8.290 nan 0.000 0.545 173 L N -0.149 120.985 121.223 -0.149 0.000 2.141 173 L HA 0.086 4.449 4.340 0.037 0.000 0.209 173 L C 2.768 179.650 176.870 0.020 0.000 1.094 173 L CA 0.349 55.071 54.840 -0.196 0.000 0.763 173 L CB -0.234 41.384 42.059 -0.734 0.000 0.908 173 L HN 0.186 nan 8.230 nan 0.000 0.437 174 L N -0.666 120.579 121.223 0.036 0.000 2.156 174 L HA -0.175 4.188 4.340 0.037 0.000 0.208 174 L C 2.138 179.125 176.870 0.195 0.000 1.095 174 L CA 0.724 55.678 54.840 0.190 0.000 0.770 174 L CB -0.569 41.581 42.059 0.152 0.000 0.914 174 L HN 0.267 nan 8.230 nan 0.000 0.439 175 D N 0.070 120.575 120.400 0.174 0.000 2.104 175 D HA -0.213 4.449 4.640 0.037 0.000 0.194 175 D C 2.251 178.694 176.300 0.238 0.000 0.994 175 D CA 1.228 55.412 54.000 0.307 0.000 0.830 175 D CB -0.189 40.812 40.800 0.334 0.000 0.959 175 D HN 0.402 nan 8.370 nan 0.000 0.452 176 Q N 0.132 120.002 119.800 0.116 0.000 2.050 176 Q HA -0.126 4.237 4.340 0.037 0.000 0.202 176 Q C 2.318 178.292 176.000 -0.043 0.000 0.980 176 Q CA 1.019 56.809 55.803 -0.021 0.000 0.840 176 Q CB -0.074 28.657 28.738 -0.011 0.000 0.898 176 Q HN 0.196 nan 8.270 nan 0.000 0.424 177 R N 0.560 121.142 120.500 0.137 0.000 2.091 177 R HA -0.190 4.172 4.340 0.037 0.000 0.238 177 R C 2.227 178.572 176.300 0.075 0.000 1.136 177 R CA 1.152 57.323 56.100 0.118 0.000 0.959 177 R CB -0.270 30.213 30.300 0.304 0.000 0.856 177 R HN 0.212 nan 8.270 nan 0.000 0.437 178 L N 0.712 122.013 121.223 0.130 0.000 2.046 178 L HA -0.086 4.277 4.340 0.037 0.000 0.208 178 L C 2.267 179.170 176.870 0.056 0.000 1.077 178 L CA 2.138 57.084 54.840 0.176 0.000 0.747 178 L CB -0.668 41.593 42.059 0.336 0.000 0.896 178 L HN 0.273 nan 8.230 nan 0.000 0.432 179 A N -1.093 121.543 122.820 -0.306 0.000 1.933 179 A HA -0.158 4.184 4.320 0.037 0.000 0.218 179 A C 2.128 179.648 177.584 -0.107 0.000 1.175 179 A CA 1.723 53.428 52.037 -0.553 0.000 0.628 179 A CB -0.745 17.709 19.000 -0.910 0.000 0.814 179 A HN 0.407 nan 8.150 nan 0.000 0.444 180 L N -0.317 120.855 121.223 -0.085 0.000 2.046 180 L HA -0.203 4.160 4.340 0.037 0.000 0.208 180 L C 2.684 179.601 176.870 0.077 0.000 1.077 180 L CA 2.067 56.899 54.840 -0.013 0.000 0.747 180 L CB -0.879 41.126 42.059 -0.089 0.000 0.896 180 L HN 0.468 nan 8.230 nan 0.000 0.432 181 Q N -2.383 117.473 119.800 0.094 0.000 2.084 181 Q HA -0.268 4.095 4.340 0.037 0.000 0.202 181 Q C 2.108 178.196 176.000 0.146 0.000 0.978 181 Q CA 1.916 57.785 55.803 0.110 0.000 0.844 181 Q CB -0.409 28.399 28.738 0.116 0.000 0.898 181 Q HN 0.587 nan 8.270 nan 0.000 0.426 182 W N 0.399 121.713 121.300 0.024 0.000 2.335 182 W HA -0.251 4.431 4.660 0.037 0.000 0.311 182 W C 1.889 178.439 176.519 0.051 0.000 1.213 182 W CA 1.430 58.808 57.345 0.055 0.000 1.274 182 W CB -0.160 29.333 29.460 0.055 0.000 1.148 182 W HN -0.134 nan 8.180 nan 0.000 0.498 183 V N 0.871 121.020 119.914 0.391 0.000 2.343 183 V HA -0.350 3.793 4.120 0.037 0.000 0.247 183 V C 2.521 178.652 176.094 0.061 0.000 1.051 183 V CA 2.044 64.493 62.300 0.248 0.000 1.036 183 V CB -0.973 30.993 31.823 0.239 0.000 0.654 183 V HN 0.241 nan 8.190 nan 0.000 0.451 184 Q N -0.085 119.749 119.800 0.056 0.000 2.084 184 Q HA -0.229 4.133 4.340 0.037 0.000 0.202 184 Q C 2.209 178.184 176.000 -0.040 0.000 0.978 184 Q CA 1.793 57.612 55.803 0.026 0.000 0.844 184 Q CB -0.268 28.491 28.738 0.035 0.000 0.898 184 Q HN 0.732 nan 8.270 nan 0.000 0.426 185 E N -0.234 119.903 120.200 -0.106 0.000 2.216 185 E HA -0.036 4.337 4.350 0.037 0.000 0.192 185 E C 1.321 177.768 176.600 -0.255 0.000 0.988 185 E CA 0.511 56.812 56.400 -0.165 0.000 0.834 185 E CB 0.229 29.820 29.700 -0.182 0.000 0.772 185 E HN 0.312 nan 8.360 nan 0.000 0.479 186 N N -0.215 118.248 118.700 -0.396 0.000 2.297 186 N HA 0.027 4.789 4.740 0.037 0.000 0.208 186 N C 1.486 176.920 175.510 -0.126 0.000 1.176 186 N CA 0.047 52.822 53.050 -0.458 0.000 0.882 186 N CB 0.454 38.222 38.487 -1.198 0.000 1.134 186 N HN 0.030 nan 8.380 nan 0.000 0.489 187 I N 2.520 123.066 120.570 -0.040 0.000 2.454 187 I HA -0.112 4.080 4.170 0.037 0.000 0.254 187 I C 2.133 178.382 176.117 0.221 0.000 1.156 187 I CA 0.633 62.039 61.300 0.176 0.000 1.433 187 I CB -0.272 37.804 38.000 0.126 0.000 1.082 187 I HN 0.066 nan 8.210 nan 0.000 0.432 188 A N 0.288 123.160 122.820 0.087 0.000 2.032 188 A HA -0.186 4.157 4.320 0.037 0.000 0.221 188 A C 2.463 180.064 177.584 0.028 0.000 1.165 188 A CA 1.733 53.800 52.037 0.051 0.000 0.645 188 A CB -1.110 17.890 19.000 0.001 0.000 0.807 188 A HN 0.493 nan 8.150 nan 0.000 0.453 189 A N -1.611 121.200 122.820 -0.016 0.000 2.067 189 A HA 0.110 4.453 4.320 0.037 0.000 0.219 189 A C 1.556 178.955 177.584 -0.309 0.000 1.158 189 A CA 1.170 53.083 52.037 -0.206 0.000 0.661 189 A CB -0.586 18.195 19.000 -0.365 0.000 0.801 189 A HN 0.501 nan 8.150 nan 0.000 0.452 190 F N -1.363 118.541 119.950 -0.078 0.000 2.727 190 F HA 0.378 4.928 4.527 0.038 0.000 0.302 190 F C 1.806 177.611 175.800 0.008 0.000 1.097 190 F CA 0.496 58.456 58.000 -0.066 0.000 1.330 190 F CB 0.256 39.225 39.000 -0.052 0.000 1.084 190 F HN 0.324 nan 8.300 nan 0.000 0.578 191 G N 0.162 109.057 108.800 0.159 0.000 2.157 191 G HA2 -0.179 3.803 3.960 0.037 0.000 0.239 191 G HA3 -0.179 3.803 3.960 0.037 0.000 0.239 191 G C 0.696 175.668 174.900 0.121 0.000 0.982 191 G CA -0.297 44.871 45.100 0.113 0.000 0.650 191 G HN 0.714 nan 8.290 nan 0.000 0.527 192 G N -0.473 108.421 108.800 0.156 0.000 2.539 192 G HA2 0.451 4.434 3.960 0.037 0.000 0.258 192 G HA3 0.451 4.434 3.960 0.037 0.000 0.258 192 G C -0.636 174.314 174.900 0.084 0.000 1.202 192 G CA 0.395 45.570 45.100 0.125 0.000 0.851 192 G HN 0.243 nan 8.290 nan 0.000 0.556 193 D N 0.889 121.327 120.400 0.064 0.000 2.412 193 D HA 0.305 4.967 4.640 0.037 0.000 0.224 193 D C -1.191 175.139 176.300 0.048 0.000 1.093 193 D CA -2.371 51.649 54.000 0.034 0.000 0.850 193 D CB 1.944 42.744 40.800 -0.000 0.000 1.046 193 D HN 0.044 nan 8.370 nan 0.000 0.507 194 P HA -0.060 nan 4.420 nan 0.000 0.230 194 P C 1.211 178.600 177.300 0.148 0.000 1.158 194 P CA 0.598 63.757 63.100 0.098 0.000 0.769 194 P CB 0.198 31.939 31.700 0.067 0.000 0.807 195 M N -1.264 118.355 119.600 0.031 0.000 2.561 195 M HA 0.076 4.578 4.480 0.037 0.000 0.238 195 M C 0.637 176.586 176.300 -0.584 0.000 1.131 195 M CA 0.580 55.807 55.300 -0.121 0.000 1.046 195 M CB 0.073 32.612 32.600 -0.102 0.000 1.532 195 M HN -0.163 nan 8.290 nan 0.000 0.497 196 S N 0.977 116.501 115.700 -0.293 0.000 2.383 196 S HA 0.447 4.940 4.470 0.037 0.000 0.196 196 S C -1.041 173.584 174.600 0.041 0.000 1.364 196 S CA -0.498 57.535 58.200 -0.280 0.000 1.212 196 S CB 0.564 63.658 63.200 -0.177 0.000 1.171 196 S HN -0.001 nan 8.310 nan 0.000 0.456 197 V N 4.008 124.127 119.914 0.341 0.000 2.444 197 V HA 0.565 4.708 4.120 0.037 0.000 0.294 197 V C -0.155 176.142 176.094 0.338 0.000 1.022 197 V CA -0.488 62.011 62.300 0.332 0.000 0.850 197 V CB 2.050 34.076 31.823 0.339 0.000 0.992 197 V HN 0.724 nan 8.190 nan 0.000 0.426 198 T N 6.451 121.143 114.554 0.230 0.000 2.786 198 T HA 0.598 4.971 4.350 0.037 0.000 0.283 198 T C -0.256 174.594 174.700 0.250 0.000 0.992 198 T CA -0.354 61.882 62.100 0.227 0.000 0.954 198 T CB 0.891 69.832 68.868 0.121 0.000 0.934 198 T HN 0.344 nan 8.240 nan 0.000 0.440 199 L N 4.569 125.919 121.223 0.211 0.000 2.371 199 L HA 0.672 5.035 4.340 0.037 0.000 0.272 199 L C -0.383 176.701 176.870 0.356 0.000 1.124 199 L CA -0.829 54.100 54.840 0.147 0.000 0.816 199 L CB 0.319 42.252 42.059 -0.211 0.000 1.129 199 L HN 0.622 nan 8.230 nan 0.000 0.448 200 F N 0.348 120.361 119.950 0.105 0.000 2.578 200 F HA 0.949 5.498 4.527 0.037 0.000 0.311 200 F C -0.297 175.469 175.800 -0.057 0.000 1.094 200 F CA -1.448 56.658 58.000 0.177 0.000 0.923 200 F CB 1.491 40.740 39.000 0.417 0.000 1.230 200 F HN 0.463 nan 8.300 nan 0.000 0.450 201 G N 1.424 110.097 108.800 -0.211 0.000 2.660 201 G HA2 0.500 4.483 3.960 0.037 0.000 0.290 201 G HA3 0.500 4.483 3.960 0.037 0.000 0.290 201 G C -2.464 172.245 174.900 -0.318 0.000 1.432 201 G CA -0.807 43.798 45.100 -0.826 0.000 0.807 201 G HN 0.843 nan 8.290 nan 0.000 0.485 202 E N -0.037 119.943 120.200 -0.367 0.000 2.238 202 E HA 0.608 4.980 4.350 0.037 0.000 0.267 202 E C 0.750 177.302 176.600 -0.080 0.000 0.887 202 E CA 0.539 56.928 56.400 -0.018 0.000 0.769 202 E CB 1.966 31.791 29.700 0.207 0.000 1.187 202 E HN 1.701 nan 8.360 nan 0.000 0.416 203 A N 3.645 126.485 122.820 0.032 0.000 5.218 203 A HA -0.389 3.954 4.320 0.037 0.000 0.318 203 A C 1.611 179.279 177.584 0.139 0.000 1.887 203 A CA 2.108 54.228 52.037 0.139 0.000 0.712 203 A CB -2.149 16.855 19.000 0.006 0.000 1.343 203 A HN 1.198 nan 8.150 nan 0.000 0.377 204 A N -1.090 121.659 122.820 -0.117 0.000 2.019 204 A HA 0.252 4.594 4.320 0.037 0.000 0.219 204 A C 2.729 180.063 177.584 -0.418 0.000 1.164 204 A CA 2.348 54.132 52.037 -0.421 0.000 0.644 204 A CB -1.402 16.901 19.000 -1.161 0.000 0.805 204 A HN 2.337 nan 8.150 nan 0.000 0.449 205 G N -0.685 107.924 108.800 -0.318 0.000 2.403 205 G HA2 0.084 4.067 3.960 0.037 0.000 0.216 205 G HA3 0.084 4.067 3.960 0.037 0.000 0.216 205 G C 1.685 176.423 174.900 -0.270 0.000 1.154 205 G CA 1.168 46.041 45.100 -0.378 0.000 0.784 205 G HN 0.719 nan 8.290 nan 0.000 0.538 206 A N 1.333 124.064 122.820 -0.148 0.000 1.873 206 A HA 0.310 4.652 4.320 0.037 0.000 0.215 206 A C 2.830 180.401 177.584 -0.022 0.000 1.186 206 A CA 2.115 54.124 52.037 -0.048 0.000 0.616 206 A CB -0.873 18.154 19.000 0.044 0.000 0.823 206 A HN 0.752 nan 8.150 nan 0.000 0.442 207 A N -0.377 122.455 122.820 0.021 0.000 1.917 207 A HA -0.151 4.191 4.320 0.037 0.000 0.219 207 A C 2.458 180.051 177.584 0.015 0.000 1.182 207 A CA 2.318 54.360 52.037 0.008 0.000 0.633 207 A CB -0.997 18.047 19.000 0.073 0.000 0.819 207 A HN 0.458 nan 8.150 nan 0.000 0.448 208 S N -0.633 115.071 115.700 0.006 0.000 2.359 208 S HA -0.146 4.347 4.470 0.037 0.000 0.224 208 S C 1.916 176.487 174.600 -0.047 0.000 1.035 208 S CA 1.460 59.629 58.200 -0.052 0.000 1.018 208 S CB -0.554 62.547 63.200 -0.164 0.000 0.876 208 S HN 0.359 nan 8.310 nan 0.000 0.448 209 V N 1.626 121.514 119.914 -0.044 0.000 2.332 209 V HA -0.188 3.954 4.120 0.037 0.000 0.248 209 V C 2.593 178.692 176.094 0.008 0.000 1.055 209 V CA 1.998 64.280 62.300 -0.031 0.000 1.038 209 V CB -1.481 30.299 31.823 -0.072 0.000 0.651 209 V HN 0.605 nan 8.190 nan 0.000 0.450 210 G N -1.029 107.769 108.800 -0.004 0.000 2.422 210 G HA2 -0.271 3.711 3.960 0.037 0.000 0.218 210 G HA3 -0.271 3.711 3.960 0.037 0.000 0.218 210 G C 1.621 176.544 174.900 0.038 0.000 1.146 210 G CA 1.025 46.129 45.100 0.007 0.000 0.769 210 G HN 0.445 nan 8.290 nan 0.000 0.547 211 M N -0.147 119.456 119.600 0.005 0.000 2.229 211 M HA 0.000 4.503 4.480 0.037 0.000 0.264 211 M C 2.314 178.681 176.300 0.111 0.000 1.063 211 M CA 0.893 56.221 55.300 0.047 0.000 1.114 211 M CB -0.238 32.352 32.600 -0.018 0.000 1.387 211 M HN 0.212 nan 8.290 nan 0.000 0.420 212 H N -0.146 119.036 119.070 0.187 0.000 2.423 212 H HA -0.021 4.557 4.556 0.037 0.000 0.297 212 H C 2.117 177.625 175.328 0.299 0.000 1.075 212 H CA 1.434 57.588 56.048 0.176 0.000 1.342 212 H CB -0.341 29.391 29.762 -0.050 0.000 1.395 212 H HN 0.416 nan 8.280 nan 0.000 0.530 213 I N 0.693 121.506 120.570 0.404 0.000 2.286 213 I HA -0.237 3.956 4.170 0.037 0.000 0.248 213 I C 1.791 178.084 176.117 0.293 0.000 1.115 213 I CA 1.089 62.638 61.300 0.416 0.000 1.392 213 I CB -0.071 38.086 38.000 0.262 0.000 1.065 213 I HN 0.110 nan 8.210 nan 0.000 0.418 214 L N -0.865 120.483 121.223 0.209 0.000 2.592 214 L HA 0.133 4.496 4.340 0.037 0.000 0.227 214 L C 0.766 177.678 176.870 0.071 0.000 1.127 214 L CA 0.017 54.957 54.840 0.167 0.000 0.884 214 L CB 0.047 42.188 42.059 0.136 0.000 1.065 214 L HN 0.013 nan 8.230 nan 0.000 0.457 215 S N -0.290 115.419 115.700 0.014 0.000 2.596 215 S HA 0.359 4.852 4.470 0.037 0.000 0.318 215 S C 0.892 175.419 174.600 -0.123 0.000 1.097 215 S CA -0.606 57.485 58.200 -0.183 0.000 1.080 215 S CB 1.354 64.150 63.200 -0.675 0.000 0.991 215 S HN 0.179 nan 8.310 nan 0.000 0.471 216 L N 5.609 126.769 121.223 -0.105 0.000 2.013 216 L HA -0.046 4.316 4.340 0.037 0.000 0.212 216 L C -0.769 176.062 176.870 -0.066 0.000 1.073 216 L CA 1.642 56.441 54.840 -0.069 0.000 0.753 216 L CB -0.985 41.034 42.059 -0.066 0.000 0.890 216 L HN 0.522 nan 8.230 nan 0.000 0.432 217 P HA -0.148 nan 4.420 nan 0.000 0.218 217 P C 1.509 178.805 177.300 -0.006 0.000 1.146 217 P CA 1.361 64.427 63.100 -0.058 0.000 0.813 217 P CB 0.057 31.709 31.700 -0.080 0.000 0.778 218 S N -1.269 114.449 115.700 0.029 0.000 2.470 218 S HA 0.017 4.509 4.470 0.037 0.000 0.225 218 S C 1.796 176.530 174.600 0.222 0.000 1.006 218 S CA 0.448 58.757 58.200 0.182 0.000 0.934 218 S CB -0.336 63.095 63.200 0.384 0.000 0.778 218 S HN 0.082 nan 8.310 nan 0.000 0.517 219 R N 1.905 122.443 120.500 0.064 0.000 2.148 219 R HA 0.048 4.411 4.340 0.037 0.000 0.223 219 R C 2.184 178.320 176.300 -0.273 0.000 1.088 219 R CA 1.115 57.122 56.100 -0.154 0.000 0.985 219 R CB -0.968 29.259 30.300 -0.122 0.000 0.880 219 R HN 0.551 nan 8.270 nan 0.000 0.451 220 S N -0.199 115.422 115.700 -0.132 0.000 2.607 220 S HA 0.084 4.576 4.470 0.037 0.000 0.224 220 S C 1.593 176.119 174.600 -0.123 0.000 0.969 220 S CA 0.232 58.350 58.200 -0.135 0.000 0.927 220 S CB -0.146 63.014 63.200 -0.066 0.000 0.772 220 S HN 0.214 nan 8.310 nan 0.000 0.533 221 L N 0.182 121.367 121.223 -0.064 0.000 2.766 221 L HA 0.501 4.863 4.340 0.037 0.000 0.242 221 L C -0.006 176.921 176.870 0.095 0.000 1.136 221 L CA -0.352 54.512 54.840 0.040 0.000 0.933 221 L CB 0.093 42.221 42.059 0.116 0.000 1.241 221 L HN 0.515 nan 8.230 nan 0.000 0.522 222 F N -3.880 115.891 119.950 -0.299 0.000 2.741 222 F HA 0.455 5.004 4.527 0.037 0.000 0.313 222 F C 0.164 175.650 175.800 -0.523 0.000 1.153 222 F CA -1.043 56.764 58.000 -0.322 0.000 0.931 222 F CB 0.902 39.850 39.000 -0.088 0.000 1.335 222 F HN -0.129 nan 8.300 nan 0.000 0.460 223 H N -1.129 117.950 119.070 0.016 0.000 3.091 223 H HA 0.532 5.111 4.556 0.037 0.000 0.249 223 H C -0.256 175.061 175.328 -0.019 0.000 0.985 223 H CA -0.151 55.841 56.048 -0.093 0.000 1.177 223 H CB 0.687 30.417 29.762 -0.053 0.000 1.456 223 H HN 0.404 nan 8.280 nan 0.000 0.467 224 R N -0.007 120.653 120.500 0.267 0.000 2.764 224 R HA 0.807 5.169 4.340 0.037 0.000 0.270 224 R C -1.547 175.018 176.300 0.441 0.000 1.014 224 R CA -0.872 55.367 56.100 0.233 0.000 0.904 224 R CB 2.577 32.828 30.300 -0.081 0.000 1.236 224 R HN 0.154 nan 8.270 nan 0.000 0.466 225 A N 0.962 124.058 122.820 0.460 0.000 2.549 225 A HA 0.690 5.032 4.320 0.037 0.000 0.297 225 A C -1.465 176.296 177.584 0.294 0.000 1.061 225 A CA -0.612 51.638 52.037 0.355 0.000 0.690 225 A CB 1.928 21.106 19.000 0.297 0.000 1.287 225 A HN 0.291 nan 8.150 nan 0.000 0.402 226 V N 1.981 122.023 119.914 0.212 0.000 2.531 226 V HA 0.503 4.646 4.120 0.037 0.000 0.301 226 V C -1.158 175.028 176.094 0.154 0.000 1.034 226 V CA -0.333 62.029 62.300 0.104 0.000 0.865 226 V CB 1.281 33.182 31.823 0.130 0.000 0.995 226 V HN 0.677 nan 8.190 nan 0.000 0.424 227 L N 5.110 126.396 121.223 0.105 0.000 2.324 227 L HA 0.504 4.867 4.340 0.037 0.000 0.274 227 L C 0.075 177.048 176.870 0.171 0.000 1.012 227 L CA 0.059 54.959 54.840 0.100 0.000 0.859 227 L CB 1.412 43.487 42.059 0.028 0.000 1.224 227 L HN 0.630 nan 8.230 nan 0.000 0.429 228 Q N 2.021 121.973 119.800 0.253 0.000 2.360 228 Q HA 0.429 4.792 4.340 0.037 0.000 0.254 228 Q C 0.217 176.346 176.000 0.215 0.000 0.975 228 Q CA -0.437 55.569 55.803 0.339 0.000 0.912 228 Q CB 1.066 30.082 28.738 0.463 0.000 1.212 228 Q HN 0.627 nan 8.270 nan 0.000 0.452 229 S N 0.992 116.803 115.700 0.185 0.000 3.682 229 S HA -0.152 4.341 4.470 0.037 0.000 0.354 229 S C 0.025 174.808 174.600 0.306 0.000 1.034 229 S CA 0.490 58.824 58.200 0.224 0.000 1.084 229 S CB -1.253 62.078 63.200 0.218 0.000 0.903 229 S HN 1.012 nan 8.310 nan 0.000 0.470 230 G N -0.491 108.453 108.800 0.240 0.000 2.519 230 G HA2 0.656 4.638 3.960 0.037 0.000 0.292 230 G HA3 0.656 4.638 3.960 0.037 0.000 0.292 230 G C -0.954 174.013 174.900 0.111 0.000 1.507 230 G CA 0.244 45.536 45.100 0.321 0.000 0.806 230 G HN 1.071 nan 8.290 nan 0.000 0.523 231 T N -1.395 113.156 114.554 -0.005 0.000 2.885 231 T HA 0.720 5.092 4.350 0.037 0.000 0.322 231 T C -2.433 172.111 174.700 -0.260 0.000 1.387 231 T CA -1.164 60.859 62.100 -0.128 0.000 1.041 231 T CB 2.994 71.772 68.868 -0.151 0.000 1.287 231 T HN 0.312 nan 8.240 nan 0.000 0.491 232 P HA -0.010 nan 4.420 nan 0.000 0.220 232 P C 0.304 177.449 177.300 -0.258 0.000 1.152 232 P CA 0.620 63.597 63.100 -0.205 0.000 0.812 232 P CB -0.092 31.545 31.700 -0.105 0.000 0.792 233 N N 0.856 119.422 118.700 -0.223 0.000 2.354 233 N HA 0.279 5.042 4.740 0.037 0.000 0.246 233 N C 0.776 176.081 175.510 -0.341 0.000 1.285 233 N CA 0.772 53.688 53.050 -0.223 0.000 0.925 233 N CB 0.191 38.590 38.487 -0.147 0.000 1.174 233 N HN 0.233 nan 8.380 nan 0.000 0.478 234 G N -0.524 108.092 108.800 -0.307 0.000 2.462 234 G HA2 -0.107 3.876 3.960 0.037 0.000 0.685 234 G HA3 -0.107 3.876 3.960 0.037 0.000 0.685 234 G C -2.225 172.437 174.900 -0.396 0.000 1.295 234 G CA -0.232 44.640 45.100 -0.380 0.000 0.941 234 G HN 0.514 nan 8.290 nan 0.000 0.554 235 P HA 0.094 nan 4.420 nan 0.000 0.229 235 P C 1.443 178.676 177.300 -0.112 0.000 1.160 235 P CA 2.152 65.111 63.100 -0.236 0.000 0.777 235 P CB -0.045 31.456 31.700 -0.331 0.000 0.814 236 W N -1.753 119.461 121.300 -0.144 0.000 2.865 236 W HA 0.577 5.260 4.660 0.037 0.000 0.300 236 W C 1.133 177.739 176.519 0.145 0.000 1.096 236 W CA 0.412 57.752 57.345 -0.007 0.000 1.524 236 W CB -0.729 28.759 29.460 0.047 0.000 0.991 236 W HN -0.174 nan 8.180 nan 0.000 0.571 237 A N 1.961 124.518 122.820 -0.438 0.000 2.119 237 A HA 0.133 4.476 4.320 0.037 0.000 0.216 237 A C 1.115 178.569 177.584 -0.216 0.000 1.152 237 A CA 1.830 53.654 52.037 -0.355 0.000 0.708 237 A CB -0.758 17.773 19.000 -0.781 0.000 0.805 237 A HN 0.244 nan 8.150 nan 0.000 0.460 238 T N -3.255 111.183 114.554 -0.193 0.000 2.883 238 T HA 0.594 4.966 4.350 0.037 0.000 0.301 238 T C -0.701 173.931 174.700 -0.113 0.000 1.158 238 T CA -0.111 61.882 62.100 -0.179 0.000 1.007 238 T CB 1.403 70.169 68.868 -0.169 0.000 1.186 238 T HN 0.929 nan 8.240 nan 0.000 0.499 239 V N -0.821 119.032 119.914 -0.102 0.000 3.001 239 V HA 0.915 5.058 4.120 0.037 0.000 0.314 239 V C 0.383 176.440 176.094 -0.061 0.000 1.099 239 V CA -0.703 61.553 62.300 -0.074 0.000 0.989 239 V CB 1.343 33.122 31.823 -0.073 0.000 1.040 239 V HN 1.414 nan 8.190 nan 0.000 0.434 240 S N 2.149 117.819 115.700 -0.049 0.000 2.589 240 S HA 0.521 5.013 4.470 0.037 0.000 0.265 240 S C 1.433 176.014 174.600 -0.030 0.000 1.342 240 S CA 0.156 58.334 58.200 -0.037 0.000 1.005 240 S CB 1.102 64.282 63.200 -0.033 0.000 0.909 240 S HN 1.980 nan 8.310 nan 0.000 0.555 241 A N 2.138 124.946 122.820 -0.021 0.000 1.908 241 A HA 0.106 4.448 4.320 0.037 0.000 0.218 241 A C 2.235 179.809 177.584 -0.016 0.000 1.181 241 A CA 1.766 53.795 52.037 -0.014 0.000 0.627 241 A CB -1.854 17.142 19.000 -0.008 0.000 0.818 241 A HN 1.183 nan 8.150 nan 0.000 0.445 242 G N -0.545 108.244 108.800 -0.019 0.000 2.418 242 G HA2 -0.233 3.750 3.960 0.037 0.000 0.217 242 G HA3 -0.233 3.750 3.960 0.037 0.000 0.217 242 G C 1.477 176.362 174.900 -0.026 0.000 1.158 242 G CA 1.382 46.469 45.100 -0.020 0.000 0.771 242 G HN 0.589 nan 8.290 nan 0.000 0.545 243 E N 0.913 121.093 120.200 -0.033 0.000 2.107 243 E HA 0.125 4.497 4.350 0.037 0.000 0.191 243 E C 2.660 179.227 176.600 -0.056 0.000 0.982 243 E CA 1.307 57.680 56.400 -0.046 0.000 0.809 243 E CB -0.525 29.143 29.700 -0.053 0.000 0.756 243 E HN 0.256 nan 8.360 nan 0.000 0.459 244 A N 1.119 123.914 122.820 -0.043 0.000 1.883 244 A HA -0.242 4.101 4.320 0.037 0.000 0.217 244 A C 2.316 179.900 177.584 -0.001 0.000 1.186 244 A CA 1.990 54.014 52.037 -0.021 0.000 0.624 244 A CB -0.725 18.279 19.000 0.006 0.000 0.822 244 A HN 0.298 nan 8.150 nan 0.000 0.444 245 R N -0.688 119.806 120.500 -0.009 0.000 2.091 245 R HA -0.156 4.207 4.340 0.037 0.000 0.238 245 R C 2.463 178.756 176.300 -0.011 0.000 1.136 245 R CA 1.685 57.779 56.100 -0.010 0.000 0.959 245 R CB -0.308 29.983 30.300 -0.015 0.000 0.856 245 R HN 0.538 nan 8.270 nan 0.000 0.437 246 R N 0.288 120.776 120.500 -0.020 0.000 2.083 246 R HA -0.133 4.230 4.340 0.037 0.000 0.237 246 R C 2.275 178.564 176.300 -0.019 0.000 1.137 246 R CA 1.934 58.021 56.100 -0.022 0.000 0.951 246 R CB -0.076 30.205 30.300 -0.032 0.000 0.851 246 R HN 0.281 nan 8.270 nan 0.000 0.434 247 R N -0.482 119.993 120.500 -0.041 0.000 2.090 247 R HA -0.024 4.339 4.340 0.037 0.000 0.228 247 R C 2.292 178.655 176.300 0.105 0.000 1.110 247 R CA 1.163 57.225 56.100 -0.063 0.000 0.973 247 R CB -0.229 29.887 30.300 -0.306 0.000 0.869 247 R HN 0.220 nan 8.270 nan 0.000 0.440 248 A N 0.957 123.867 122.820 0.149 0.000 1.898 248 A HA -0.164 4.179 4.320 0.037 0.000 0.216 248 A C 2.305 179.902 177.584 0.022 0.000 1.181 248 A CA 1.967 54.082 52.037 0.130 0.000 0.620 248 A CB -0.896 18.122 19.000 0.031 0.000 0.819 248 A HN 0.480 nan 8.150 nan 0.000 0.442 249 T N -2.094 112.462 114.554 0.004 0.000 2.867 249 T HA -0.095 4.277 4.350 0.037 0.000 0.268 249 T C 1.757 176.455 174.700 -0.004 0.000 1.057 249 T CA 1.423 63.515 62.100 -0.013 0.000 1.136 249 T CB -0.399 68.459 68.868 -0.017 0.000 0.874 249 T HN 0.189 nan 8.240 nan 0.000 0.466 250 L N 0.771 122.001 121.223 0.012 0.000 2.027 250 L HA 0.249 4.611 4.340 0.037 0.000 0.206 250 L C 2.360 179.243 176.870 0.022 0.000 1.074 250 L CA 1.497 56.345 54.840 0.014 0.000 0.745 250 L CB -1.250 40.821 42.059 0.020 0.000 0.898 250 L HN 0.349 nan 8.230 nan 0.000 0.433 251 L N -0.130 121.132 121.223 0.065 0.000 2.012 251 L HA -0.149 4.214 4.340 0.037 0.000 0.210 251 L C 2.534 179.393 176.870 -0.018 0.000 1.073 251 L CA 2.082 56.959 54.840 0.061 0.000 0.748 251 L CB -0.866 41.272 42.059 0.132 0.000 0.891 251 L HN 0.313 nan 8.230 nan 0.000 0.431 252 A N -0.161 122.641 122.820 -0.030 0.000 1.873 252 A HA -0.327 4.015 4.320 0.037 0.000 0.218 252 A C 2.517 180.074 177.584 -0.045 0.000 1.193 252 A CA 2.241 54.251 52.037 -0.045 0.000 0.629 252 A CB -0.833 18.137 19.000 -0.050 0.000 0.826 252 A HN 0.561 nan 8.150 nan 0.000 0.447 253 R N -0.368 120.108 120.500 -0.041 0.000 2.083 253 R HA -0.103 4.259 4.340 0.037 0.000 0.237 253 R C 1.981 178.233 176.300 -0.080 0.000 1.137 253 R CA 1.779 57.852 56.100 -0.045 0.000 0.951 253 R CB -0.450 29.831 30.300 -0.031 0.000 0.851 253 R HN 0.526 nan 8.270 nan 0.000 0.434 254 L N 0.859 122.007 121.223 -0.125 0.000 2.191 254 L HA -0.091 4.272 4.340 0.037 0.000 0.212 254 L C 2.004 178.654 176.870 -0.367 0.000 1.103 254 L CA 0.793 55.462 54.840 -0.285 0.000 0.769 254 L CB -0.064 41.758 42.059 -0.394 0.000 0.908 254 L HN 0.237 nan 8.230 nan 0.000 0.438 255 V N -3.681 116.118 119.914 -0.192 0.000 3.514 255 V HA 0.472 4.615 4.120 0.037 0.000 0.301 255 V C 1.154 177.232 176.094 -0.027 0.000 1.346 255 V CA 0.277 62.533 62.300 -0.072 0.000 1.156 255 V CB -0.369 31.458 31.823 0.007 0.000 1.029 255 V HN 0.449 nan 8.190 nan 0.000 0.428 256 G N -0.710 108.065 108.800 -0.041 0.000 2.142 256 G HA2 -0.218 3.764 3.960 0.037 0.000 0.225 256 G HA3 -0.218 3.764 3.960 0.037 0.000 0.225 256 G C 0.053 174.946 174.900 -0.010 0.000 1.015 256 G CA 0.019 45.108 45.100 -0.017 0.000 0.716 256 G HN 0.696 nan 8.290 nan 0.000 0.508 266 D N 0.979 121.372 120.400 -0.012 0.000 2.104 266 D HA -0.131 4.531 4.640 0.037 0.000 0.194 266 D C 1.475 177.766 176.300 -0.014 0.000 0.994 266 D CA 1.744 55.732 54.000 -0.020 0.000 0.830 266 D CB -0.051 40.737 40.800 -0.021 0.000 0.959 266 D HN 0.560 nan 8.370 nan 0.000 0.452 267 T N 1.240 115.792 114.554 -0.003 0.000 2.665 267 T HA -0.189 4.183 4.350 0.037 0.000 0.268 267 T C 1.816 176.522 174.700 0.009 0.000 1.035 267 T CA 1.474 63.578 62.100 0.007 0.000 1.151 267 T CB -0.280 68.594 68.868 0.010 0.000 0.862 267 T HN 0.321 nan 8.240 nan 0.000 0.438 268 E N 0.423 120.625 120.200 0.004 0.000 2.077 268 E HA -0.063 4.310 4.350 0.037 0.000 0.193 268 E C 2.236 178.838 176.600 0.003 0.000 0.989 268 E CA 0.797 57.200 56.400 0.005 0.000 0.800 268 E CB -0.262 29.439 29.700 0.002 0.000 0.746 268 E HN 0.367 nan 8.360 nan 0.000 0.452 269 L N 0.722 121.940 121.223 -0.008 0.000 2.056 269 L HA -0.162 4.201 4.340 0.037 0.000 0.207 269 L C 2.160 179.018 176.870 -0.020 0.000 1.078 269 L CA 1.172 56.000 54.840 -0.020 0.000 0.749 269 L CB -0.011 42.027 42.059 -0.036 0.000 0.901 269 L HN 0.105 nan 8.230 nan 0.000 0.433 270 I N -0.409 120.150 120.570 -0.018 0.000 2.286 270 I HA -0.192 4.000 4.170 0.037 0.000 0.245 270 I C 2.735 178.907 176.117 0.093 0.000 1.104 270 I CA 0.898 62.202 61.300 0.007 0.000 1.397 270 I CB -0.586 37.416 38.000 0.003 0.000 1.072 270 I HN 0.278 nan 8.210 nan 0.000 0.417 271 A N 0.022 122.879 122.820 0.061 0.000 1.892 271 A HA -0.344 3.999 4.320 0.037 0.000 0.218 271 A C 2.541 180.161 177.584 0.060 0.000 1.188 271 A CA 2.301 54.374 52.037 0.060 0.000 0.631 271 A CB -1.483 17.539 19.000 0.036 0.000 0.822 271 A HN 0.636 nan 8.150 nan 0.000 0.447 272 c N -0.719 117.908 118.600 0.045 0.000 2.440 272 c HA 0.076 4.668 4.570 0.037 0.000 0.278 272 c C 2.584 176.710 174.090 0.059 0.000 1.295 272 c CA 0.914 57.267 56.329 0.039 0.000 1.738 272 c CB -1.600 40.923 42.510 0.021 0.000 1.987 272 c HN 0.580 nan 8.230 nan 0.000 0.492 273 L N 0.388 121.661 121.223 0.083 0.000 2.079 273 L HA -0.119 4.243 4.340 0.037 0.000 0.210 273 L C 2.965 179.956 176.870 0.201 0.000 1.081 273 L CA 1.512 56.438 54.840 0.143 0.000 0.752 273 L CB -0.636 41.514 42.059 0.151 0.000 0.896 273 L HN 0.363 nan 8.230 nan 0.000 0.433 274 R N -0.579 120.035 120.500 0.191 0.000 2.235 274 R HA -0.102 4.260 4.340 0.037 0.000 0.213 274 R C 2.212 178.529 176.300 0.028 0.000 1.059 274 R CA 1.594 57.739 56.100 0.077 0.000 0.997 274 R CB -0.349 29.988 30.300 0.060 0.000 0.884 274 R HN 0.507 nan 8.270 nan 0.000 0.462 275 T N -1.420 113.158 114.554 0.041 0.000 3.055 275 T HA 0.047 4.419 4.350 0.037 0.000 0.265 275 T C 0.995 175.708 174.700 0.021 0.000 1.111 275 T CA 0.193 62.307 62.100 0.023 0.000 1.118 275 T CB 0.117 68.999 68.868 0.024 0.000 0.909 275 T HN -0.118 nan 8.240 nan 0.000 0.501 276 R N 2.696 123.217 120.500 0.035 0.000 2.340 276 R HA 0.382 4.744 4.340 0.037 0.000 0.300 276 R C -2.679 173.634 176.300 0.022 0.000 1.069 276 R CA -2.546 53.576 56.100 0.036 0.000 0.984 276 R CB 0.166 30.498 30.300 0.054 0.000 1.003 276 R HN 0.261 nan 8.270 nan 0.000 0.459 277 P HA -0.073 nan 4.420 nan 0.000 0.265 277 P C 0.393 177.678 177.300 -0.026 0.000 1.187 277 P CA 0.321 63.408 63.100 -0.022 0.000 0.766 277 P CB 0.563 32.258 31.700 -0.009 0.000 0.820 278 A N 3.055 125.792 122.820 -0.138 0.000 1.884 278 A HA -0.304 4.038 4.320 0.037 0.000 0.219 278 A C 2.136 179.686 177.584 -0.055 0.000 1.197 278 A CA 2.123 54.052 52.037 -0.180 0.000 0.637 278 A CB -1.358 17.051 19.000 -0.985 0.000 0.827 278 A HN 0.538 nan 8.150 nan 0.000 0.450 279 Q N -0.131 119.603 119.800 -0.111 0.000 2.226 279 Q HA -0.146 4.217 4.340 0.037 0.000 0.204 279 Q C 1.214 177.313 176.000 0.165 0.000 0.975 279 Q CA 1.923 57.833 55.803 0.177 0.000 0.866 279 Q CB -0.462 28.395 28.738 0.199 0.000 0.915 279 Q HN 0.663 nan 8.270 nan 0.000 0.440 280 D N -0.965 119.504 120.400 0.114 0.000 2.144 280 D HA -0.126 4.537 4.640 0.037 0.000 0.199 280 D C 1.378 177.779 176.300 0.168 0.000 0.984 280 D CA 0.681 54.763 54.000 0.137 0.000 0.834 280 D CB 0.017 40.886 40.800 0.115 0.000 0.955 280 D HN 0.208 nan 8.370 nan 0.000 0.465 281 L N 0.155 121.452 121.223 0.123 0.000 2.023 281 L HA -0.086 4.276 4.340 0.037 0.000 0.205 281 L C 2.492 179.411 176.870 0.081 0.000 1.073 281 L CA 0.903 55.775 54.840 0.054 0.000 0.745 281 L CB -1.003 40.987 42.059 -0.114 0.000 0.900 281 L HN -0.036 nan 8.230 nan 0.000 0.435 282 V N -0.097 119.930 119.914 0.188 0.000 2.324 282 V HA -0.320 3.823 4.120 0.037 0.000 0.250 282 V C 2.180 178.382 176.094 0.181 0.000 1.060 282 V CA 1.800 64.255 62.300 0.258 0.000 1.042 282 V CB -0.669 31.433 31.823 0.466 0.000 0.650 282 V HN 0.389 nan 8.190 nan 0.000 0.450 283 D N -0.985 119.495 120.400 0.132 0.000 2.239 283 D HA -0.162 4.500 4.640 0.037 0.000 0.202 283 D C 1.783 177.922 176.300 -0.268 0.000 0.993 283 D CA 1.368 55.355 54.000 -0.022 0.000 0.874 283 D CB -0.215 40.543 40.800 -0.070 0.000 0.922 283 D HN 0.555 nan 8.370 nan 0.000 0.464 284 H N -0.837 118.232 119.070 -0.001 0.000 2.674 284 H HA 0.163 4.741 4.556 0.037 0.000 0.274 284 H C 1.355 176.581 175.328 -0.170 0.000 1.121 284 H CA -0.106 55.888 56.048 -0.090 0.000 1.132 284 H CB 0.659 30.487 29.762 0.110 0.000 1.606 284 H HN 0.277 nan 8.280 nan 0.000 0.558 285 E N 0.429 120.548 120.200 -0.135 0.000 2.118 285 E HA -0.179 4.194 4.350 0.037 0.000 0.195 285 E C 0.367 176.620 176.600 -0.580 0.000 0.992 285 E CA 1.044 57.256 56.400 -0.314 0.000 0.804 285 E CB 0.147 29.515 29.700 -0.553 0.000 0.741 285 E HN 0.433 nan 8.360 nan 0.000 0.458 286 W N -0.380 120.821 121.300 -0.165 0.000 3.151 286 W HA 0.132 4.815 4.660 0.038 0.000 0.424 286 W C 0.484 176.990 176.519 -0.022 0.000 1.012 286 W CA -0.557 56.697 57.345 -0.152 0.000 2.018 286 W CB 0.515 29.844 29.460 -0.218 0.000 1.087 286 W HN 0.100 nan 8.180 nan 0.000 0.740 287 H N -0.378 118.800 119.070 0.181 0.000 2.674 287 H HA 0.142 4.721 4.556 0.037 0.000 0.274 287 H C 1.649 177.028 175.328 0.086 0.000 1.121 287 H CA 0.109 56.252 56.048 0.159 0.000 1.132 287 H CB -0.236 29.656 29.762 0.216 0.000 1.606 287 H HN 0.227 nan 8.280 nan 0.000 0.558 288 V N -2.594 117.393 119.914 0.122 0.000 3.556 288 V HA 0.301 4.444 4.120 0.037 0.000 0.287 288 V C 0.733 176.803 176.094 -0.041 0.000 1.422 288 V CA -0.145 62.164 62.300 0.015 0.000 1.038 288 V CB 0.142 31.927 31.823 -0.063 0.000 0.850 288 V HN -0.023 nan 8.190 nan 0.000 0.437 289 L N 2.430 123.650 121.223 -0.004 0.000 2.456 289 L HA 0.263 4.626 4.340 0.037 0.000 0.272 289 L C -0.390 176.484 176.870 0.006 0.000 1.189 289 L CA -0.991 53.842 54.840 -0.010 0.000 0.846 289 L CB 0.771 42.857 42.059 0.045 0.000 1.111 289 L HN 0.138 nan 8.230 nan 0.000 0.475 290 P HA -0.077 nan 4.420 nan 0.000 0.221 290 P C -0.075 177.230 177.300 0.009 0.000 1.150 290 P CA 1.048 64.146 63.100 -0.004 0.000 0.800 290 P CB 0.471 32.162 31.700 -0.015 0.000 0.787 291 Q N -1.390 118.418 119.800 0.014 0.000 2.544 291 Q HA 0.313 4.675 4.340 0.037 0.000 0.291 291 Q C -0.679 175.337 176.000 0.027 0.000 1.068 291 Q CA -0.724 55.090 55.803 0.018 0.000 0.785 291 Q CB 1.687 30.432 28.738 0.011 0.000 1.481 291 Q HN -0.083 nan 8.270 nan 0.000 0.430 292 E N 1.028 121.245 120.200 0.027 0.000 2.328 292 E HA 0.252 4.624 4.350 0.037 0.000 0.265 292 E C -1.101 175.510 176.600 0.018 0.000 1.057 292 E CA 0.094 56.511 56.400 0.029 0.000 0.916 292 E CB 0.252 29.969 29.700 0.029 0.000 0.993 292 E HN 0.560 nan 8.360 nan 0.000 0.446 293 S N 3.841 119.548 115.700 0.011 0.000 2.607 293 S HA 0.687 5.180 4.470 0.037 0.000 0.273 293 S C -0.338 174.247 174.600 -0.025 0.000 1.148 293 S CA -1.060 57.135 58.200 -0.007 0.000 0.833 293 S CB 1.101 64.289 63.200 -0.019 0.000 1.130 293 S HN 0.515 nan 8.310 nan 0.000 0.470 294 I N -2.712 117.839 120.570 -0.030 0.000 2.892 294 I HA 0.791 4.983 4.170 0.037 0.000 0.306 294 I C -0.433 175.615 176.117 -0.116 0.000 1.078 294 I CA -1.193 60.084 61.300 -0.038 0.000 1.032 294 I CB 1.246 39.282 38.000 0.061 0.000 1.229 294 I HN 0.745 nan 8.210 nan 0.000 0.435 295 F N 1.526 121.201 119.950 -0.458 0.000 3.074 295 F HA -0.175 4.374 4.527 0.037 0.000 0.287 295 F C -0.388 174.819 175.800 -0.987 0.000 0.932 295 F CA 0.632 58.089 58.000 -0.904 0.000 0.995 295 F CB -0.822 37.553 39.000 -1.041 0.000 0.966 295 F HN 0.686 nan 8.300 nan 0.000 0.721 296 R N 0.711 120.699 120.500 -0.854 0.000 2.564 296 R HA 0.703 5.065 4.340 0.037 0.000 0.284 296 R C -1.451 174.463 176.300 -0.643 0.000 1.031 296 R CA -0.648 55.063 56.100 -0.648 0.000 0.904 296 R CB 0.936 31.111 30.300 -0.208 0.000 1.199 296 R HN -0.028 nan 8.270 nan 0.000 0.443 297 F N 0.265 120.382 119.950 0.278 0.000 2.540 297 F HA 0.399 4.949 4.527 0.037 0.000 0.317 297 F C 1.322 177.159 175.800 0.061 0.000 1.104 297 F CA -0.847 57.352 58.000 0.331 0.000 0.913 297 F CB 2.225 41.492 39.000 0.444 0.000 1.170 297 F HN 0.409 nan 8.300 nan 0.000 0.450 298 S N 0.845 116.509 115.700 -0.061 0.000 2.357 298 S HA 0.024 4.516 4.470 0.037 0.000 0.221 298 S C 0.004 174.192 174.600 -0.687 0.000 1.031 298 S CA 1.052 58.965 58.200 -0.477 0.000 0.982 298 S CB -0.181 62.564 63.200 -0.758 0.000 0.853 298 S HN 0.362 nan 8.310 nan 0.000 0.458 299 F N 1.755 121.709 119.950 0.006 0.000 2.382 299 F HA 0.554 5.104 4.527 0.038 0.000 0.361 299 F C -0.036 175.792 175.800 0.047 0.000 1.109 299 F CA -0.976 57.060 58.000 0.061 0.000 1.031 299 F CB 1.324 40.376 39.000 0.086 0.000 1.234 299 F HN -0.102 nan 8.300 nan 0.000 0.445 300 V N 0.795 120.691 119.914 -0.030 0.000 3.167 300 V HA 0.768 4.911 4.120 0.037 0.000 0.310 300 V C -2.895 172.855 176.094 -0.574 0.000 1.207 300 V CA -3.342 58.628 62.300 -0.550 0.000 1.059 300 V CB 2.012 33.691 31.823 -0.240 0.000 1.079 300 V HN 0.253 nan 8.190 nan 0.000 0.446 301 P HA 0.158 nan 4.420 nan 0.000 0.265 301 P C -0.710 176.461 177.300 -0.215 0.000 1.187 301 P CA 0.446 63.282 63.100 -0.441 0.000 0.766 301 P CB 0.586 31.940 31.700 -0.578 0.000 0.820 302 V N 4.848 124.709 119.914 -0.088 0.000 2.513 302 V HA 0.224 4.366 4.120 0.037 0.000 0.299 302 V C -0.297 175.777 176.094 -0.032 0.000 1.035 302 V CA -0.895 61.375 62.300 -0.049 0.000 0.889 302 V CB 2.065 33.885 31.823 -0.004 0.000 0.988 302 V HN 0.145 nan 8.190 nan 0.000 0.440 303 V N 7.456 127.352 119.914 -0.031 0.000 2.359 303 V HA 0.144 4.287 4.120 0.037 0.000 0.248 303 V C 0.871 176.970 176.094 0.007 0.000 1.091 303 V CA 0.382 62.677 62.300 -0.008 0.000 1.103 303 V CB -0.016 31.796 31.823 -0.018 0.000 1.176 303 V HN 1.062 nan 8.190 nan 0.000 0.488 304 D N 2.644 123.062 120.400 0.029 0.000 2.354 304 D HA 0.102 4.765 4.640 0.037 0.000 0.209 304 D C 1.569 177.890 176.300 0.036 0.000 1.015 304 D CA 0.714 54.735 54.000 0.035 0.000 0.867 304 D CB 0.247 41.080 40.800 0.054 0.000 0.933 304 D HN 0.676 nan 8.370 nan 0.000 0.520 305 G N 0.667 109.490 108.800 0.038 0.000 2.153 305 G HA2 -0.317 3.665 3.960 0.037 0.000 0.252 305 G HA3 -0.317 3.665 3.960 0.037 0.000 0.252 305 G C 0.326 175.248 174.900 0.037 0.000 0.994 305 G CA 0.778 45.896 45.100 0.030 0.000 0.698 305 G HN 0.554 nan 8.290 nan 0.000 0.521 306 D N -1.799 118.639 120.400 0.064 0.000 3.000 306 D HA 0.225 4.888 4.640 0.037 0.000 0.190 306 D C 1.687 178.042 176.300 0.092 0.000 1.503 306 D CA 0.426 54.467 54.000 0.069 0.000 1.496 306 D CB -0.661 40.188 40.800 0.081 0.000 1.163 306 D HN 0.074 nan 8.370 nan 0.000 0.231 307 F N 1.262 121.217 119.950 0.010 0.000 2.091 307 F HA 0.145 4.694 4.527 0.037 0.000 0.299 307 F C 0.551 176.349 175.800 -0.003 0.000 1.103 307 F CA 1.283 59.288 58.000 0.008 0.000 1.228 307 F CB 0.116 39.117 39.000 0.002 0.000 0.984 307 F HN -0.004 nan 8.300 nan 0.000 0.477 308 L N 0.836 122.225 121.223 0.275 0.000 2.277 308 L HA 0.190 4.552 4.340 0.037 0.000 0.284 308 L C 1.395 178.308 176.870 0.072 0.000 1.028 308 L CA -0.181 54.750 54.840 0.152 0.000 0.835 308 L CB 1.302 43.439 42.059 0.130 0.000 1.215 308 L HN 0.087 nan 8.230 nan 0.000 0.425 309 S N 0.546 116.268 115.700 0.036 0.000 2.423 309 S HA -0.036 4.457 4.470 0.037 0.000 0.231 309 S C 0.522 175.130 174.600 0.014 0.000 1.014 309 S CA 0.600 58.810 58.200 0.017 0.000 0.965 309 S CB 0.187 63.386 63.200 -0.001 0.000 0.785 309 S HN 0.691 nan 8.310 nan 0.000 0.495 310 D N 0.196 120.606 120.400 0.016 0.000 2.752 310 D HA 0.318 4.980 4.640 0.037 0.000 0.313 310 D C -0.815 175.489 176.300 0.006 0.000 1.225 310 D CA -0.009 53.996 54.000 0.007 0.000 0.976 310 D CB 1.585 42.387 40.800 0.003 0.000 1.443 310 D HN 0.252 nan 8.370 nan 0.000 0.515 311 T N -0.862 113.689 114.554 -0.005 0.000 2.932 311 T HA 0.197 4.569 4.350 0.037 0.000 0.312 311 T C -1.792 172.901 174.700 -0.011 0.000 1.071 311 T CA -0.746 61.343 62.100 -0.018 0.000 1.128 311 T CB 0.915 69.766 68.868 -0.028 0.000 0.984 311 T HN 0.110 nan 8.240 nan 0.000 0.549 312 P HA -0.151 nan 4.420 nan 0.000 0.217 312 P C 1.466 178.760 177.300 -0.009 0.000 1.151 312 P CA 1.305 64.393 63.100 -0.020 0.000 0.849 312 P CB 0.082 31.741 31.700 -0.068 0.000 0.787 313 E N -0.346 119.838 120.200 -0.026 0.000 2.038 313 E HA -0.228 4.145 4.350 0.037 0.000 0.195 313 E C 1.991 178.597 176.600 0.009 0.000 1.000 313 E CA 1.449 57.840 56.400 -0.016 0.000 0.803 313 E CB -0.650 29.033 29.700 -0.028 0.000 0.750 313 E HN 0.063 nan 8.360 nan 0.000 0.448 314 A N 1.044 123.867 122.820 0.005 0.000 1.883 314 A HA -0.192 4.151 4.320 0.037 0.000 0.217 314 A C 2.263 179.865 177.584 0.029 0.000 1.186 314 A CA 1.577 53.621 52.037 0.011 0.000 0.624 314 A CB -0.800 18.202 19.000 0.002 0.000 0.822 314 A HN 0.352 nan 8.150 nan 0.000 0.444 315 L N -0.133 121.114 121.223 0.041 0.000 2.093 315 L HA -0.139 4.224 4.340 0.037 0.000 0.208 315 L C 2.613 179.577 176.870 0.156 0.000 1.085 315 L CA 1.487 56.370 54.840 0.072 0.000 0.755 315 L CB -0.630 41.475 42.059 0.076 0.000 0.904 315 L HN 0.691 nan 8.230 nan 0.000 0.435 316 I N -2.732 117.935 120.570 0.163 0.000 2.439 316 I HA -0.146 4.047 4.170 0.037 0.000 0.251 316 I C 1.981 178.231 176.117 0.221 0.000 1.139 316 I CA 1.294 62.744 61.300 0.251 0.000 1.438 316 I CB -0.451 37.606 38.000 0.095 0.000 1.085 316 I HN 0.182 nan 8.210 nan 0.000 0.427 317 N N 1.518 120.285 118.700 0.112 0.000 2.244 317 N HA -0.114 4.649 4.740 0.037 0.000 0.183 317 N C 1.824 177.369 175.510 0.059 0.000 1.016 317 N CA 2.149 55.247 53.050 0.079 0.000 0.866 317 N CB -0.411 38.101 38.487 0.042 0.000 0.980 317 N HN 0.679 nan 8.380 nan 0.000 0.430 318 T N -3.549 111.026 114.554 0.034 0.000 3.054 318 T HA 0.310 4.682 4.350 0.037 0.000 0.255 318 T C 0.933 175.574 174.700 -0.099 0.000 1.035 318 T CA -0.441 61.646 62.100 -0.020 0.000 0.941 318 T CB 0.044 68.898 68.868 -0.023 0.000 1.026 318 T HN 0.047 nan 8.240 nan 0.000 0.533 319 G N 0.877 109.588 108.800 -0.149 0.000 2.483 319 G HA2 0.401 4.384 3.960 0.037 0.000 0.248 319 G HA3 0.401 4.384 3.960 0.037 0.000 0.248 319 G C -1.039 173.420 174.900 -0.736 0.000 1.248 319 G CA -0.404 44.349 45.100 -0.577 0.000 0.838 319 G HN 0.275 nan 8.290 nan 0.000 0.566 320 D N 0.690 120.651 120.400 -0.733 0.000 2.329 320 D HA 0.345 5.008 4.640 0.037 0.000 0.232 320 D C -0.442 175.497 176.300 -0.603 0.000 1.088 320 D CA -0.644 53.053 54.000 -0.504 0.000 0.835 320 D CB 0.707 41.354 40.800 -0.255 0.000 1.078 320 D HN 0.097 nan 8.370 nan 0.000 0.495 321 F N 2.104 122.056 119.950 0.004 0.000 2.791 321 F HA 0.197 4.747 4.527 0.038 0.000 0.308 321 F C 1.984 177.789 175.800 0.008 0.000 1.138 321 F CA -0.427 57.578 58.000 0.008 0.000 1.294 321 F CB 0.355 39.369 39.000 0.023 0.000 0.975 321 F HN 0.324 nan 8.300 nan 0.000 0.512 322 Q N 0.149 120.007 119.800 0.097 0.000 2.061 322 Q HA -0.162 4.201 4.340 0.037 0.000 0.204 322 Q C 0.367 176.404 176.000 0.062 0.000 0.984 322 Q CA 1.536 57.378 55.803 0.066 0.000 0.846 322 Q CB -0.080 28.670 28.738 0.020 0.000 0.902 322 Q HN 0.342 nan 8.270 nan 0.000 0.421 323 D N 0.052 120.481 120.400 0.048 0.000 2.460 323 D HA 0.163 4.826 4.640 0.037 0.000 0.229 323 D C -0.691 175.635 176.300 0.043 0.000 1.170 323 D CA -0.021 53.998 54.000 0.033 0.000 0.827 323 D CB 0.018 40.822 40.800 0.006 0.000 0.973 323 D HN -0.015 nan 8.370 nan 0.000 0.496 324 L N 0.868 122.143 121.223 0.087 0.000 2.317 324 L HA 0.410 4.772 4.340 0.037 0.000 0.281 324 L C -0.781 176.159 176.870 0.117 0.000 1.024 324 L CA -0.449 54.451 54.840 0.101 0.000 0.810 324 L CB 1.589 43.742 42.059 0.156 0.000 1.240 324 L HN -0.202 nan 8.230 nan 0.000 0.427 325 Q N 3.270 123.152 119.800 0.136 0.000 2.312 325 Q HA 0.775 5.138 4.340 0.037 0.000 0.263 325 Q C -1.420 174.816 176.000 0.393 0.000 0.995 325 Q CA -0.502 55.441 55.803 0.233 0.000 0.853 325 Q CB 2.576 31.412 28.738 0.164 0.000 1.300 325 Q HN 0.465 nan 8.270 nan 0.000 0.448 326 V N 2.406 122.543 119.914 0.371 0.000 2.686 326 V HA 0.453 4.595 4.120 0.037 0.000 0.306 326 V C -1.416 174.643 176.094 -0.059 0.000 1.065 326 V CA -0.875 61.555 62.300 0.217 0.000 0.894 326 V CB 1.858 33.717 31.823 0.060 0.000 1.004 326 V HN 0.601 nan 8.190 nan 0.000 0.424 327 L N 6.835 127.776 121.223 -0.470 0.000 2.296 327 L HA 0.880 5.242 4.340 0.037 0.000 0.286 327 L C -0.384 176.359 176.870 -0.211 0.000 1.023 327 L CA -0.098 54.380 54.840 -0.604 0.000 0.812 327 L CB 1.572 42.802 42.059 -1.382 0.000 1.223 327 L HN 0.644 nan 8.230 nan 0.000 0.421 328 V N 2.267 122.139 119.914 -0.070 0.000 2.876 328 V HA 1.126 5.268 4.120 0.037 0.000 0.312 328 V C -0.196 175.720 176.094 -0.297 0.000 1.085 328 V CA 0.222 62.472 62.300 -0.083 0.000 0.945 328 V CB 1.153 32.890 31.823 -0.144 0.000 1.017 328 V HN 1.049 nan 8.190 nan 0.000 0.428 329 G N 1.142 109.611 108.800 -0.550 0.000 2.488 329 G HA2 0.795 4.778 3.960 0.037 0.000 0.301 329 G HA3 0.795 4.778 3.960 0.037 0.000 0.301 329 G C -1.164 173.422 174.900 -0.524 0.000 1.339 329 G CA 0.052 44.440 45.100 -1.187 0.000 0.803 329 G HN 2.082 nan 8.290 nan 0.000 0.482 330 V N -2.337 117.374 119.914 -0.338 0.000 3.159 330 V HA 0.917 5.059 4.120 0.037 0.000 0.308 330 V C 0.248 176.506 176.094 0.273 0.000 1.190 330 V CA -0.387 61.942 62.300 0.048 0.000 1.037 330 V CB 1.129 32.967 31.823 0.025 0.000 1.060 330 V HN 1.841 nan 8.190 nan 0.000 0.437 331 V N -0.239 119.866 119.914 0.319 0.000 3.109 331 V HA 0.576 4.718 4.120 0.037 0.000 0.317 331 V C 1.339 177.618 176.094 0.308 0.000 1.074 331 V CA 0.014 62.556 62.300 0.403 0.000 1.033 331 V CB 1.281 33.336 31.823 0.387 0.000 1.111 331 V HN 1.086 nan 8.190 nan 0.000 0.458 332 K N -0.357 120.224 120.400 0.302 0.000 2.148 332 K HA -0.021 4.322 4.320 0.037 0.000 0.204 332 K C 0.312 177.032 176.600 0.199 0.000 1.050 332 K CA 1.656 58.076 56.287 0.221 0.000 0.942 332 K CB 0.113 32.723 32.500 0.183 0.000 0.724 332 K HN 0.901 nan 8.250 nan 0.000 0.446 333 D N 0.979 121.506 120.400 0.213 0.000 2.739 333 D HA 0.026 4.689 4.640 0.037 0.000 0.335 333 D C 0.042 176.476 176.300 0.224 0.000 1.216 333 D CA -0.066 54.050 54.000 0.193 0.000 0.808 333 D CB 1.242 42.133 40.800 0.151 0.000 1.121 333 D HN 0.119 nan 8.370 nan 0.000 0.499 334 E N 0.473 120.819 120.200 0.244 0.000 2.171 334 E HA -0.136 4.237 4.350 0.037 0.000 0.197 334 E C 1.933 178.718 176.600 0.308 0.000 0.997 334 E CA 0.815 57.395 56.400 0.300 0.000 0.810 334 E CB 0.157 30.005 29.700 0.247 0.000 0.738 334 E HN 0.434 nan 8.360 nan 0.000 0.467 335 G N 0.843 109.789 108.800 0.243 0.000 2.603 335 G HA2 -0.151 3.831 3.960 0.037 0.000 0.214 335 G HA3 -0.151 3.831 3.960 0.037 0.000 0.214 335 G C 1.737 176.808 174.900 0.285 0.000 1.140 335 G CA 0.772 46.026 45.100 0.257 0.000 0.800 335 G HN 0.363 nan 8.290 nan 0.000 0.533 336 S N 0.193 116.017 115.700 0.208 0.000 2.359 336 S HA -0.250 4.242 4.470 0.037 0.000 0.224 336 S C 2.100 176.720 174.600 0.033 0.000 1.035 336 S CA 1.312 59.590 58.200 0.130 0.000 1.018 336 S CB -0.922 62.273 63.200 -0.009 0.000 0.876 336 S HN 0.413 nan 8.310 nan 0.000 0.448 337 Y N 1.614 121.794 120.300 -0.200 0.000 2.181 337 Y HA -0.217 4.355 4.550 0.037 0.000 0.284 337 Y C 1.767 177.496 175.900 -0.285 0.000 1.179 337 Y CA 1.942 59.775 58.100 -0.445 0.000 1.179 337 Y CB -0.434 37.672 38.460 -0.590 0.000 0.973 337 Y HN 0.284 nan 8.280 nan 0.000 0.519 338 F N -0.998 119.041 119.950 0.149 0.000 2.661 338 F HA -0.075 4.474 4.527 0.037 0.000 0.298 338 F C 1.784 177.640 175.800 0.095 0.000 1.137 338 F CA 0.563 58.630 58.000 0.112 0.000 1.454 338 F CB -0.263 38.714 39.000 -0.037 0.000 1.103 338 F HN 0.015 nan 8.300 nan 0.000 0.577 339 L N -0.255 121.063 121.223 0.159 0.000 2.179 339 L HA -0.091 4.271 4.340 0.037 0.000 0.208 339 L C 2.344 179.264 176.870 0.083 0.000 1.096 339 L CA 0.734 55.535 54.840 -0.064 0.000 0.779 339 L CB -0.665 41.097 42.059 -0.494 0.000 0.922 339 L HN 0.140 nan 8.230 nan 0.000 0.443 340 V N -4.681 115.337 119.914 0.173 0.000 3.380 340 V HA -0.156 3.986 4.120 0.037 0.000 0.268 340 V C 1.089 177.149 176.094 -0.058 0.000 1.168 340 V CA 0.861 63.248 62.300 0.146 0.000 1.156 340 V CB -1.119 30.797 31.823 0.155 0.000 0.785 340 V HN 0.320 nan 8.190 nan 0.000 0.487 341 Y N 1.276 121.612 120.300 0.059 0.000 2.756 341 Y HA 0.699 5.271 4.550 0.037 0.000 0.300 341 Y C 1.588 177.489 175.900 0.002 0.000 1.113 341 Y CA 0.288 58.395 58.100 0.011 0.000 1.291 341 Y CB 0.879 39.335 38.460 -0.007 0.000 1.175 341 Y HN 0.361 nan 8.280 nan 0.000 0.534 342 G N -1.417 107.460 108.800 0.128 0.000 3.845 342 G HA2 -0.054 3.929 3.960 0.037 0.000 0.198 342 G HA3 -0.054 3.929 3.960 0.037 0.000 0.198 342 G C -0.712 174.245 174.900 0.095 0.000 0.890 342 G CA -0.377 44.779 45.100 0.093 0.000 0.885 342 G HN -0.076 nan 8.290 nan 0.000 0.407 343 V N 3.461 123.447 119.914 0.119 0.000 2.385 343 V HA 0.423 4.565 4.120 0.037 0.000 0.269 343 V C -2.068 174.199 176.094 0.289 0.000 1.043 343 V CA -1.550 60.852 62.300 0.170 0.000 0.906 343 V CB 1.199 33.076 31.823 0.089 0.000 0.995 343 V HN 0.085 nan 8.190 nan 0.000 0.467 344 P HA 0.241 nan 4.420 nan 0.000 0.264 344 P C 0.993 178.383 177.300 0.150 0.000 1.193 344 P CA 1.250 64.438 63.100 0.147 0.000 0.763 344 P CB 0.622 32.375 31.700 0.089 0.000 0.810 345 G N 1.367 110.189 108.800 0.037 0.000 2.218 345 G HA2 -0.198 3.785 3.960 0.037 0.000 0.216 345 G HA3 -0.198 3.785 3.960 0.037 0.000 0.216 345 G C -0.234 174.429 174.900 -0.395 0.000 0.994 345 G CA -0.617 44.367 45.100 -0.193 0.000 0.637 345 G HN 0.399 nan 8.290 nan 0.000 0.505 346 F N 1.407 121.354 119.950 -0.006 0.000 2.469 346 F HA 0.804 5.353 4.527 0.036 0.000 0.332 346 F C 0.497 176.365 175.800 0.113 0.000 1.103 346 F CA -0.208 57.803 58.000 0.019 0.000 0.979 346 F CB 2.402 41.459 39.000 0.096 0.000 1.137 346 F HN 0.209 nan 8.300 nan 0.000 0.463 347 S N 1.727 117.640 115.700 0.354 0.000 2.537 347 S HA 0.260 4.752 4.470 0.037 0.000 0.271 347 S C 0.229 175.121 174.600 0.486 0.000 1.148 347 S CA -0.858 57.553 58.200 0.352 0.000 0.868 347 S CB 1.364 64.676 63.200 0.186 0.000 1.115 347 S HN 0.777 nan 8.310 nan 0.000 0.461 348 K N 1.424 122.028 120.400 0.339 0.000 2.283 348 K HA 0.052 4.395 4.320 0.037 0.000 0.202 348 K C 0.175 176.806 176.600 0.052 0.000 1.048 348 K CA 1.391 57.777 56.287 0.164 0.000 0.948 348 K CB -0.134 32.231 32.500 -0.225 0.000 0.742 348 K HN 0.471 nan 8.250 nan 0.000 0.458 349 D N 0.860 121.271 120.400 0.019 0.000 2.339 349 D HA 0.014 4.676 4.640 0.037 0.000 0.217 349 D C -0.261 176.059 176.300 0.033 0.000 1.050 349 D CA 0.285 54.267 54.000 -0.030 0.000 0.856 349 D CB 0.108 40.868 40.800 -0.066 0.000 0.922 349 D HN 0.508 nan 8.370 nan 0.000 0.518 350 N N -1.257 117.496 118.700 0.089 0.000 2.831 350 N HA 0.120 4.883 4.740 0.037 0.000 0.276 350 N C 0.270 175.804 175.510 0.040 0.000 1.416 350 N CA -0.607 52.465 53.050 0.038 0.000 0.799 350 N CB 0.854 39.323 38.487 -0.031 0.000 1.554 350 N HN -0.366 nan 8.380 nan 0.000 0.541 351 E N -0.471 119.678 120.200 -0.085 0.000 2.511 351 E HA 0.010 4.382 4.350 0.037 0.000 0.196 351 E C -0.464 175.732 176.600 -0.673 0.000 1.066 351 E CA 0.322 56.576 56.400 -0.243 0.000 0.871 351 E CB -0.354 29.267 29.700 -0.131 0.000 0.863 351 E HN 0.595 nan 8.360 nan 0.000 0.520 352 S N 0.572 115.913 115.700 -0.597 0.000 3.549 352 S HA -0.189 4.304 4.470 0.037 0.000 0.366 352 S C 0.316 174.456 174.600 -0.766 0.000 1.012 352 S CA 0.245 57.959 58.200 -0.810 0.000 1.141 352 S CB -1.740 60.745 63.200 -1.191 0.000 0.910 352 S HN 0.311 nan 8.310 nan 0.000 0.471 353 L N 1.544 122.481 121.223 -0.477 0.000 2.410 353 L HA 0.462 4.824 4.340 0.037 0.000 0.273 353 L C 0.752 177.420 176.870 -0.337 0.000 1.144 353 L CA -0.027 54.607 54.840 -0.343 0.000 0.863 353 L CB 0.192 42.121 42.059 -0.216 0.000 1.140 353 L HN 0.468 nan 8.230 nan 0.000 0.463 354 I N -0.180 120.213 120.570 -0.296 0.000 2.957 354 I HA 0.649 4.842 4.170 0.037 0.000 0.310 354 I C 0.349 176.402 176.117 -0.106 0.000 1.063 354 I CA -0.702 60.457 61.300 -0.235 0.000 1.033 354 I CB 2.102 39.943 38.000 -0.265 0.000 1.230 354 I HN 0.577 nan 8.210 nan 0.000 0.447 355 S N 2.510 118.178 115.700 -0.054 0.000 2.645 355 S HA 0.362 4.855 4.470 0.037 0.000 0.266 355 S C 0.964 175.598 174.600 0.057 0.000 1.258 355 S CA -0.427 57.768 58.200 -0.008 0.000 0.990 355 S CB 1.581 64.781 63.200 -0.000 0.000 0.967 355 S HN 0.904 nan 8.310 nan 0.000 0.556 356 R N 0.573 121.111 120.500 0.063 0.000 2.081 356 R HA -0.071 4.292 4.340 0.037 0.000 0.235 356 R C 2.394 178.793 176.300 0.164 0.000 1.131 356 R CA 1.530 57.710 56.100 0.133 0.000 0.960 356 R CB -1.138 29.213 30.300 0.084 0.000 0.856 356 R HN 0.846 nan 8.270 nan 0.000 0.436 357 A N 0.708 123.585 122.820 0.096 0.000 1.883 357 A HA -0.258 4.084 4.320 0.037 0.000 0.217 357 A C 2.071 179.705 177.584 0.083 0.000 1.186 357 A CA 1.718 53.799 52.037 0.074 0.000 0.624 357 A CB -0.639 18.389 19.000 0.047 0.000 0.822 357 A HN 0.519 nan 8.150 nan 0.000 0.444 358 Q N -1.973 117.883 119.800 0.093 0.000 2.181 358 Q HA -0.158 4.205 4.340 0.037 0.000 0.205 358 Q C 1.857 177.974 176.000 0.195 0.000 0.980 358 Q CA 1.630 57.500 55.803 0.112 0.000 0.862 358 Q CB -0.269 28.510 28.738 0.069 0.000 0.905 358 Q HN 0.826 nan 8.270 nan 0.000 0.429 359 F N 0.658 120.647 119.950 0.065 0.000 2.128 359 F HA -0.166 4.387 4.527 0.043 0.000 0.295 359 F C 1.673 177.516 175.800 0.071 0.000 1.100 359 F CA 0.873 58.923 58.000 0.083 0.000 1.260 359 F CB 0.093 39.126 39.000 0.056 0.000 1.009 359 F HN -0.042 nan 8.300 nan 0.000 0.476 360 L N 0.414 121.549 121.223 -0.148 0.000 2.042 360 L HA -0.211 4.152 4.340 0.037 0.000 0.210 360 L C 2.868 179.655 176.870 -0.138 0.000 1.076 360 L CA 1.238 55.947 54.840 -0.220 0.000 0.749 360 L CB -1.655 40.369 42.059 -0.059 0.000 0.893 360 L HN 0.276 nan 8.230 nan 0.000 0.432 361 A N 0.789 123.584 122.820 -0.042 0.000 1.902 361 A HA -0.093 4.250 4.320 0.037 0.000 0.217 361 A C 2.443 180.022 177.584 -0.009 0.000 1.181 361 A CA 1.682 53.715 52.037 -0.008 0.000 0.623 361 A CB -1.228 17.791 19.000 0.031 0.000 0.818 361 A HN 0.435 nan 8.150 nan 0.000 0.443 362 G N -0.705 108.103 108.800 0.013 0.000 2.432 362 G HA2 -0.082 3.900 3.960 0.037 0.000 0.219 362 G HA3 -0.082 3.900 3.960 0.037 0.000 0.219 362 G C 1.442 176.312 174.900 -0.050 0.000 1.135 362 G CA 1.170 46.288 45.100 0.030 0.000 0.767 362 G HN 0.319 nan 8.290 nan 0.000 0.550 363 V N 0.904 120.718 119.914 -0.166 0.000 2.427 363 V HA -0.106 4.036 4.120 0.037 0.000 0.248 363 V C 2.924 178.971 176.094 -0.079 0.000 1.051 363 V CA 1.445 63.644 62.300 -0.169 0.000 1.048 363 V CB -0.341 31.295 31.823 -0.312 0.000 0.666 363 V HN 0.223 nan 8.190 nan 0.000 0.456 364 R N -0.030 120.431 120.500 -0.064 0.000 2.115 364 R HA 0.031 4.393 4.340 0.037 0.000 0.230 364 R C 2.013 178.306 176.300 -0.011 0.000 1.111 364 R CA 1.333 57.416 56.100 -0.029 0.000 0.976 364 R CB -0.755 29.533 30.300 -0.020 0.000 0.870 364 R HN 0.471 nan 8.270 nan 0.000 0.445 365 I N -0.577 119.989 120.570 -0.007 0.000 2.480 365 I HA -0.037 4.156 4.170 0.037 0.000 0.251 365 I C 2.149 178.268 176.117 0.005 0.000 1.124 365 I CA 1.222 62.526 61.300 0.006 0.000 1.444 365 I CB -0.342 37.670 38.000 0.019 0.000 1.098 365 I HN 0.171 nan 8.210 nan 0.000 0.428 366 G N 0.272 109.071 108.800 -0.001 0.000 2.623 366 G HA2 0.038 4.021 3.960 0.037 0.000 0.214 366 G HA3 0.038 4.021 3.960 0.037 0.000 0.214 366 G C 0.793 175.714 174.900 0.034 0.000 1.138 366 G CA 0.294 45.398 45.100 0.007 0.000 0.794 366 G HN 0.227 nan 8.290 nan 0.000 0.535 367 V N 1.901 121.818 119.914 0.006 0.000 2.454 367 V HA 0.214 4.356 4.120 0.037 0.000 0.255 367 V C -1.480 174.621 176.094 0.011 0.000 1.009 367 V CA -1.058 61.228 62.300 -0.023 0.000 1.149 367 V CB 1.422 33.203 31.823 -0.070 0.000 1.418 367 V HN 0.045 nan 8.190 nan 0.000 0.567 368 P HA -0.135 nan 4.420 nan 0.000 0.222 368 P C 1.031 178.342 177.300 0.018 0.000 1.147 368 P CA 1.087 64.199 63.100 0.020 0.000 0.790 368 P CB 0.539 32.250 31.700 0.019 0.000 0.780 369 Q N -0.665 119.154 119.800 0.032 0.000 2.360 369 Q HA 0.280 4.643 4.340 0.037 0.000 0.202 369 Q C 0.723 176.727 176.000 0.008 0.000 0.915 369 Q CA -0.090 55.726 55.803 0.022 0.000 0.943 369 Q CB -0.287 28.473 28.738 0.036 0.000 1.064 369 Q HN 0.159 nan 8.270 nan 0.000 0.511 370 A N 0.815 123.636 122.820 0.002 0.000 2.409 370 A HA 0.445 4.788 4.320 0.037 0.000 0.262 370 A C 0.424 178.001 177.584 -0.011 0.000 1.113 370 A CA -0.376 51.654 52.037 -0.011 0.000 0.790 370 A CB 0.203 19.196 19.000 -0.013 0.000 1.046 370 A HN 0.355 nan 8.150 nan 0.000 0.496 371 S N 2.117 117.807 115.700 -0.017 0.000 2.587 371 S HA 0.049 4.541 4.470 0.037 0.000 0.260 371 S C 0.428 175.025 174.600 -0.005 0.000 1.353 371 S CA 0.311 58.503 58.200 -0.013 0.000 0.995 371 S CB 0.287 63.476 63.200 -0.020 0.000 0.912 371 S HN 0.637 nan 8.310 nan 0.000 0.568 372 D N 0.156 120.556 120.400 0.000 0.000 2.104 372 D HA -0.096 4.567 4.640 0.037 0.000 0.194 372 D C 1.717 178.027 176.300 0.017 0.000 0.994 372 D CA 1.047 55.052 54.000 0.007 0.000 0.830 372 D CB -0.455 40.350 40.800 0.009 0.000 0.959 372 D HN 0.412 nan 8.370 nan 0.000 0.452 373 L N 0.536 121.769 121.223 0.018 0.000 2.093 373 L HA 0.045 4.408 4.340 0.037 0.000 0.208 373 L C 2.042 178.943 176.870 0.053 0.000 1.085 373 L CA 1.509 56.371 54.840 0.036 0.000 0.755 373 L CB -0.840 41.237 42.059 0.030 0.000 0.904 373 L HN -0.014 nan 8.230 nan 0.000 0.435 374 A N -0.479 122.354 122.820 0.023 0.000 1.902 374 A HA -0.079 4.263 4.320 0.037 0.000 0.217 374 A C 2.454 180.068 177.584 0.049 0.000 1.181 374 A CA 1.687 53.736 52.037 0.019 0.000 0.623 374 A CB -1.109 17.865 19.000 -0.043 0.000 0.818 374 A HN 0.538 nan 8.150 nan 0.000 0.443 375 A N -0.172 122.664 122.820 0.027 0.000 1.902 375 A HA -0.193 4.149 4.320 0.037 0.000 0.217 375 A C 1.907 179.516 177.584 0.042 0.000 1.181 375 A CA 1.765 53.813 52.037 0.018 0.000 0.623 375 A CB -0.542 18.453 19.000 -0.008 0.000 0.818 375 A HN 0.637 nan 8.150 nan 0.000 0.443 376 E N -0.336 119.901 120.200 0.061 0.000 2.077 376 E HA -0.100 4.273 4.350 0.037 0.000 0.193 376 E C 2.313 178.996 176.600 0.138 0.000 0.989 376 E CA 0.965 57.420 56.400 0.091 0.000 0.800 376 E CB -0.290 29.459 29.700 0.083 0.000 0.746 376 E HN 0.627 nan 8.360 nan 0.000 0.452 377 A N 0.766 123.688 122.820 0.171 0.000 1.902 377 A HA -0.161 4.181 4.320 0.037 0.000 0.217 377 A C 2.476 180.185 177.584 0.209 0.000 1.181 377 A CA 1.249 53.433 52.037 0.245 0.000 0.623 377 A CB -0.641 18.609 19.000 0.417 0.000 0.818 377 A HN 0.124 nan 8.150 nan 0.000 0.443 378 V N -0.486 119.567 119.914 0.232 0.000 2.295 378 V HA -0.228 3.915 4.120 0.037 0.000 0.246 378 V C 2.568 178.814 176.094 0.253 0.000 1.049 378 V CA 1.964 64.384 62.300 0.200 0.000 1.024 378 V CB -0.844 31.069 31.823 0.150 0.000 0.648 378 V HN 0.365 nan 8.190 nan 0.000 0.447 379 V N -0.118 119.896 119.914 0.166 0.000 2.332 379 V HA -0.269 3.873 4.120 0.037 0.000 0.248 379 V C 2.299 178.602 176.094 0.348 0.000 1.055 379 V CA 2.071 64.504 62.300 0.223 0.000 1.038 379 V CB -0.528 31.348 31.823 0.088 0.000 0.651 379 V HN 0.448 nan 8.190 nan 0.000 0.450 380 L N -0.750 120.660 121.223 0.312 0.000 2.093 380 L HA -0.180 4.183 4.340 0.037 0.000 0.208 380 L C 2.543 179.621 176.870 0.347 0.000 1.085 380 L CA 1.963 57.062 54.840 0.431 0.000 0.755 380 L CB -0.776 41.461 42.059 0.296 0.000 0.904 380 L HN 0.463 nan 8.230 nan 0.000 0.435 381 H N -0.870 118.204 119.070 0.007 0.000 2.389 381 H HA -0.184 4.397 4.556 0.041 0.000 0.299 381 H C 1.808 177.029 175.328 -0.178 0.000 1.081 381 H CA 1.838 57.740 56.048 -0.243 0.000 1.345 381 H CB 0.074 29.342 29.762 -0.823 0.000 1.393 381 H HN 0.250 nan 8.280 nan 0.000 0.520 382 Y N -0.137 120.210 120.300 0.077 0.000 2.510 382 Y HA 0.138 4.710 4.550 0.037 0.000 0.273 382 Y C 0.824 176.685 175.900 -0.065 0.000 1.119 382 Y CA 0.290 58.441 58.100 0.086 0.000 1.286 382 Y CB 0.360 39.008 38.460 0.313 0.000 1.061 382 Y HN 0.039 nan 8.280 nan 0.000 0.542 383 T N 1.591 116.139 114.554 -0.011 0.000 2.928 383 T HA -0.075 4.297 4.350 0.037 0.000 0.305 383 T C -0.232 174.105 174.700 -0.605 0.000 1.035 383 T CA -0.078 61.745 62.100 -0.461 0.000 1.145 383 T CB 0.206 68.529 68.868 -0.907 0.000 0.963 383 T HN 0.065 nan 8.240 nan 0.000 0.545 384 D N 2.025 122.111 120.400 -0.524 0.000 2.380 384 D HA 0.101 4.764 4.640 0.037 0.000 0.230 384 D C 0.074 176.071 176.300 -0.504 0.000 1.154 384 D CA -0.651 53.118 54.000 -0.385 0.000 0.859 384 D CB 0.420 41.076 40.800 -0.240 0.000 1.045 384 D HN 0.616 nan 8.370 nan 0.000 0.495 385 W N 3.116 124.346 121.300 -0.117 0.000 2.825 385 W HA 0.042 4.722 4.660 0.034 0.000 0.243 385 W C 1.924 178.333 176.519 -0.184 0.000 1.293 385 W CA -0.293 56.979 57.345 -0.122 0.000 1.403 385 W CB 0.043 29.446 29.460 -0.095 0.000 1.134 385 W HN 0.427 nan 8.180 nan 0.000 0.666 386 L N -1.284 119.844 121.223 -0.159 0.000 2.131 386 L HA -0.077 4.285 4.340 0.037 0.000 0.206 386 L C 0.403 176.857 176.870 -0.693 0.000 1.087 386 L CA 1.257 55.834 54.840 -0.438 0.000 0.767 386 L CB -0.259 41.438 42.059 -0.603 0.000 0.917 386 L HN 0.001 nan 8.230 nan 0.000 0.441 387 H N -1.860 117.054 119.070 -0.260 0.000 2.535 387 H HA 0.166 4.728 4.556 0.010 0.000 0.232 387 H C -1.841 173.268 175.328 -0.366 0.000 1.405 387 H CA -1.294 54.551 56.048 -0.337 0.000 1.224 387 H CB 0.116 29.523 29.762 -0.592 0.000 1.763 387 H HN -0.003 nan 8.280 nan 0.000 0.529 388 P HA -0.118 nan 4.420 nan 0.000 0.226 388 P C 0.461 177.629 177.300 -0.220 0.000 1.153 388 P CA 1.092 63.989 63.100 -0.337 0.000 0.777 388 P CB 0.652 32.194 31.700 -0.263 0.000 0.794 389 E N -0.420 119.708 120.200 -0.120 0.000 2.583 389 E HA 0.064 4.437 4.350 0.037 0.000 0.213 389 E C -0.212 176.352 176.600 -0.061 0.000 0.989 389 E CA -0.228 56.128 56.400 -0.073 0.000 0.991 389 E CB 0.095 29.776 29.700 -0.031 0.000 1.040 389 E HN 0.194 nan 8.360 nan 0.000 0.481 390 D N 2.176 122.537 120.400 -0.066 0.000 2.358 390 D HA 0.021 4.683 4.640 0.037 0.000 0.258 390 D C -1.663 174.630 176.300 -0.013 0.000 1.223 390 D CA -1.883 52.110 54.000 -0.011 0.000 0.886 390 D CB 1.322 42.153 40.800 0.051 0.000 1.120 390 D HN -0.180 nan 8.370 nan 0.000 0.482 391 P HA -0.120 nan 4.420 nan 0.000 0.217 391 P C 1.113 178.358 177.300 -0.092 0.000 1.150 391 P CA 1.038 64.091 63.100 -0.080 0.000 0.832 391 P CB 0.210 31.853 31.700 -0.095 0.000 0.787 392 T N -1.732 112.783 114.554 -0.066 0.000 2.777 392 T HA -0.164 4.208 4.350 0.037 0.000 0.266 392 T C 1.515 176.160 174.700 -0.092 0.000 1.040 392 T CA 1.549 63.593 62.100 -0.093 0.000 1.141 392 T CB -1.030 67.772 68.868 -0.110 0.000 0.868 392 T HN 0.264 nan 8.240 nan 0.000 0.444 393 H N 0.604 119.607 119.070 -0.113 0.000 2.353 393 H HA 0.099 4.671 4.556 0.027 0.000 0.300 393 H C 2.136 177.353 175.328 -0.185 0.000 1.090 393 H CA 1.148 57.122 56.048 -0.122 0.000 1.327 393 H CB -0.338 29.345 29.762 -0.132 0.000 1.383 393 H HN 0.200 nan 8.280 nan 0.000 0.508 394 L N -0.057 121.099 121.223 -0.111 0.000 2.056 394 L HA -0.135 4.227 4.340 0.037 0.000 0.207 394 L C 2.763 179.538 176.870 -0.158 0.000 1.078 394 L CA 0.993 55.634 54.840 -0.331 0.000 0.749 394 L CB -0.315 41.579 42.059 -0.275 0.000 0.901 394 L HN 0.228 nan 8.230 nan 0.000 0.433 395 R N 0.644 121.121 120.500 -0.038 0.000 2.083 395 R HA -0.198 4.165 4.340 0.037 0.000 0.237 395 R C 1.591 178.006 176.300 0.190 0.000 1.137 395 R CA 2.201 58.366 56.100 0.108 0.000 0.951 395 R CB -0.456 29.776 30.300 -0.114 0.000 0.851 395 R HN 0.341 nan 8.270 nan 0.000 0.434 396 D N 0.372 120.831 120.400 0.098 0.000 2.178 396 D HA -0.058 4.605 4.640 0.037 0.000 0.202 396 D C 1.745 178.128 176.300 0.138 0.000 0.974 396 D CA 1.321 55.404 54.000 0.138 0.000 0.841 396 D CB -0.204 40.639 40.800 0.072 0.000 0.953 396 D HN 0.374 nan 8.370 nan 0.000 0.478 397 A N 0.708 123.566 122.820 0.063 0.000 1.902 397 A HA -0.170 4.172 4.320 0.037 0.000 0.217 397 A C 2.142 179.819 177.584 0.156 0.000 1.181 397 A CA 1.500 53.588 52.037 0.085 0.000 0.623 397 A CB -0.472 18.411 19.000 -0.195 0.000 0.818 397 A HN 0.138 nan 8.150 nan 0.000 0.443 398 M N 0.009 119.741 119.600 0.220 0.000 2.080 398 M HA -0.110 4.392 4.480 0.037 0.000 0.260 398 M C 2.335 178.708 176.300 0.120 0.000 1.068 398 M CA 2.188 57.662 55.300 0.290 0.000 1.109 398 M CB -0.629 32.182 32.600 0.352 0.000 1.342 398 M HN 0.418 nan 8.290 nan 0.000 0.405 399 S N -0.339 115.447 115.700 0.144 0.000 2.370 399 S HA -0.141 4.352 4.470 0.037 0.000 0.226 399 S C 2.040 176.722 174.600 0.136 0.000 1.033 399 S CA 1.713 60.003 58.200 0.150 0.000 1.011 399 S CB -0.625 62.717 63.200 0.236 0.000 0.852 399 S HN 0.627 nan 8.310 nan 0.000 0.457 400 A N 0.841 123.757 122.820 0.159 0.000 1.877 400 A HA 0.014 4.356 4.320 0.037 0.000 0.216 400 A C 2.381 180.024 177.584 0.098 0.000 1.186 400 A CA 1.733 53.895 52.037 0.208 0.000 0.620 400 A CB -1.182 18.046 19.000 0.379 0.000 0.822 400 A HN 0.457 nan 8.150 nan 0.000 0.443 401 V N -0.345 119.475 119.914 -0.156 0.000 2.252 401 V HA -0.286 3.856 4.120 0.037 0.000 0.249 401 V C 2.584 178.635 176.094 -0.071 0.000 1.056 401 V CA 2.297 64.453 62.300 -0.240 0.000 1.022 401 V CB -0.799 30.903 31.823 -0.201 0.000 0.641 401 V HN 0.387 nan 8.190 nan 0.000 0.445 402 V N 0.418 120.305 119.914 -0.045 0.000 2.379 402 V HA -0.120 4.023 4.120 0.037 0.000 0.245 402 V C 2.592 178.596 176.094 -0.149 0.000 1.044 402 V CA 2.070 64.324 62.300 -0.077 0.000 1.036 402 V CB -1.264 30.554 31.823 -0.008 0.000 0.664 402 V HN 0.616 nan 8.190 nan 0.000 0.453 403 G N -0.299 108.482 108.800 -0.033 0.000 2.418 403 G HA2 -0.238 3.745 3.960 0.037 0.000 0.217 403 G HA3 -0.238 3.745 3.960 0.037 0.000 0.217 403 G C 1.232 176.074 174.900 -0.097 0.000 1.158 403 G CA 1.062 46.154 45.100 -0.015 0.000 0.771 403 G HN 0.500 nan 8.290 nan 0.000 0.545 404 D N -0.678 119.680 120.400 -0.070 0.000 2.097 404 D HA -0.076 4.586 4.640 0.037 0.000 0.197 404 D C 2.006 178.004 176.300 -0.504 0.000 0.984 404 D CA 0.924 54.850 54.000 -0.125 0.000 0.826 404 D CB -0.611 40.295 40.800 0.177 0.000 0.973 404 D HN 0.498 nan 8.370 nan 0.000 0.460 405 H N 0.374 118.861 119.070 -0.971 0.000 2.353 405 H HA -0.044 4.534 4.556 0.037 0.000 0.300 405 H C 1.294 176.206 175.328 -0.694 0.000 1.090 405 H CA 1.114 56.370 56.048 -1.320 0.000 1.327 405 H CB 0.425 29.373 29.762 -1.357 0.000 1.383 405 H HN 0.020 nan 8.280 nan 0.000 0.508 406 N N -0.265 117.989 118.700 -0.744 0.000 2.402 406 N HA -0.023 4.739 4.740 0.037 0.000 0.174 406 N C 1.551 176.830 175.510 -0.384 0.000 1.027 406 N CA 0.822 53.385 53.050 -0.812 0.000 0.891 406 N CB 0.960 38.430 38.487 -1.694 0.000 1.016 406 N HN 0.215 nan 8.380 nan 0.000 0.439 407 V N -0.395 119.350 119.914 -0.281 0.000 3.278 407 V HA 0.076 4.218 4.120 0.037 0.000 0.215 407 V C 2.173 178.228 176.094 -0.065 0.000 1.287 407 V CA 0.219 62.486 62.300 -0.055 0.000 1.302 407 V CB -0.087 31.778 31.823 0.069 0.000 1.228 407 V HN -0.166 nan 8.190 nan 0.000 0.523 408 V N -0.065 119.808 119.914 -0.067 0.000 2.295 408 V HA -0.264 3.878 4.120 0.037 0.000 0.246 408 V C 2.499 178.557 176.094 -0.060 0.000 1.049 408 V CA 2.497 64.771 62.300 -0.044 0.000 1.024 408 V CB -0.680 31.145 31.823 0.004 0.000 0.648 408 V HN 0.653 nan 8.190 nan 0.000 0.447 409 c N -0.409 118.145 118.600 -0.077 0.000 2.466 409 c HA 0.020 4.613 4.570 0.037 0.000 0.278 409 c C 0.567 174.622 174.090 -0.059 0.000 1.288 409 c CA 0.830 57.140 56.329 -0.031 0.000 1.722 409 c CB -1.759 40.756 42.510 0.007 0.000 2.017 409 c HN 0.455 nan 8.230 nan 0.000 0.488 410 P HA -0.090 nan 4.420 nan 0.000 0.216 410 P C 1.728 178.963 177.300 -0.109 0.000 1.150 410 P CA 1.418 64.443 63.100 -0.125 0.000 0.843 410 P CB -0.162 31.430 31.700 -0.179 0.000 0.787 411 V N -0.075 119.777 119.914 -0.104 0.000 2.358 411 V HA -0.240 3.902 4.120 0.037 0.000 0.246 411 V C 2.448 178.445 176.094 -0.163 0.000 1.047 411 V CA 2.187 64.411 62.300 -0.128 0.000 1.035 411 V CB -1.634 30.111 31.823 -0.129 0.000 0.658 411 V HN 0.098 nan 8.190 nan 0.000 0.452 412 A N -0.405 122.337 122.820 -0.131 0.000 1.877 412 A HA -0.334 4.009 4.320 0.037 0.000 0.216 412 A C 2.190 179.739 177.584 -0.059 0.000 1.186 412 A CA 2.338 54.308 52.037 -0.111 0.000 0.620 412 A CB -0.595 18.393 19.000 -0.020 0.000 0.822 412 A HN 0.602 nan 8.150 nan 0.000 0.443 413 Q N -0.687 119.092 119.800 -0.034 0.000 2.002 413 Q HA -0.199 4.164 4.340 0.037 0.000 0.204 413 Q C 1.923 177.901 176.000 -0.038 0.000 0.988 413 Q CA 2.098 57.893 55.803 -0.014 0.000 0.843 413 Q CB -0.466 28.260 28.738 -0.020 0.000 0.908 413 Q HN 0.504 nan 8.270 nan 0.000 0.420 414 L N 0.376 121.549 121.223 -0.083 0.000 2.012 414 L HA -0.108 4.255 4.340 0.037 0.000 0.210 414 L C 2.255 179.052 176.870 -0.122 0.000 1.073 414 L CA 2.387 57.163 54.840 -0.107 0.000 0.748 414 L CB -1.174 40.806 42.059 -0.132 0.000 0.891 414 L HN 0.345 nan 8.230 nan 0.000 0.431 415 A N -0.536 122.176 122.820 -0.180 0.000 1.892 415 A HA -0.176 4.167 4.320 0.037 0.000 0.218 415 A C 2.341 179.904 177.584 -0.035 0.000 1.188 415 A CA 1.938 53.816 52.037 -0.265 0.000 0.631 415 A CB -1.684 16.906 19.000 -0.683 0.000 0.822 415 A HN 0.562 nan 8.150 nan 0.000 0.447 416 G N -1.179 107.670 108.800 0.081 0.000 2.408 416 G HA2 -0.159 3.823 3.960 0.037 0.000 0.217 416 G HA3 -0.159 3.823 3.960 0.037 0.000 0.217 416 G C 1.665 176.642 174.900 0.127 0.000 1.150 416 G CA 0.700 45.934 45.100 0.224 0.000 0.776 416 G HN 0.388 nan 8.290 nan 0.000 0.542 417 R N 0.193 120.735 120.500 0.070 0.000 2.073 417 R HA 0.145 4.508 4.340 0.037 0.000 0.229 417 R C 2.639 178.999 176.300 0.100 0.000 1.120 417 R CA 0.439 56.588 56.100 0.082 0.000 0.967 417 R CB -1.137 29.203 30.300 0.067 0.000 0.862 417 R HN 0.389 nan 8.270 nan 0.000 0.436 418 L N 0.334 121.558 121.223 0.001 0.000 2.017 418 L HA -0.148 4.214 4.340 0.037 0.000 0.208 418 L C 2.631 179.552 176.870 0.084 0.000 1.073 418 L CA 1.532 56.345 54.840 -0.045 0.000 0.745 418 L CB -0.705 41.233 42.059 -0.201 0.000 0.894 418 L HN 0.148 nan 8.230 nan 0.000 0.432 419 A N 0.042 122.920 122.820 0.097 0.000 1.877 419 A HA -0.197 4.145 4.320 0.037 0.000 0.216 419 A C 2.510 180.154 177.584 0.100 0.000 1.186 419 A CA 1.829 53.933 52.037 0.113 0.000 0.620 419 A CB -0.854 18.248 19.000 0.170 0.000 0.822 419 A HN 0.407 nan 8.150 nan 0.000 0.443 420 A N -1.182 121.701 122.820 0.105 0.000 2.019 420 A HA -0.160 4.182 4.320 0.037 0.000 0.219 420 A C 1.868 179.511 177.584 0.097 0.000 1.164 420 A CA 1.661 53.751 52.037 0.087 0.000 0.644 420 A CB -0.360 18.690 19.000 0.084 0.000 0.805 420 A HN 0.639 nan 8.150 nan 0.000 0.449 421 Q N -1.803 118.085 119.800 0.148 0.000 2.201 421 Q HA 0.381 4.744 4.340 0.037 0.000 0.217 421 Q C 0.810 176.912 176.000 0.170 0.000 0.860 421 Q CA 0.379 56.282 55.803 0.166 0.000 0.984 421 Q CB 0.429 29.320 28.738 0.255 0.000 1.095 421 Q HN 0.799 nan 8.270 nan 0.000 0.477 422 G N -0.347 108.533 108.800 0.133 0.000 2.179 422 G HA2 -0.249 3.733 3.960 0.037 0.000 0.220 422 G HA3 -0.249 3.733 3.960 0.037 0.000 0.220 422 G C 0.247 175.218 174.900 0.118 0.000 0.990 422 G CA -0.188 44.974 45.100 0.102 0.000 0.646 422 G HN 0.512 nan 8.290 nan 0.000 0.517 423 A N -0.218 122.691 122.820 0.148 0.000 2.351 423 A HA 0.766 5.109 4.320 0.037 0.000 0.257 423 A C 0.595 178.221 177.584 0.070 0.000 1.087 423 A CA 0.196 52.304 52.037 0.119 0.000 0.798 423 A CB 0.371 19.423 19.000 0.086 0.000 1.033 423 A HN 0.590 nan 8.150 nan 0.000 0.488 424 R N 0.901 121.443 120.500 0.071 0.000 2.216 424 R HA 0.485 4.847 4.340 0.037 0.000 0.332 424 R C -1.194 175.123 176.300 0.029 0.000 1.056 424 R CA 0.158 56.278 56.100 0.033 0.000 0.901 424 R CB 0.440 30.797 30.300 0.093 0.000 1.039 424 R HN 0.468 nan 8.270 nan 0.000 0.456 425 V N 5.391 125.254 119.914 -0.086 0.000 2.604 425 V HA 0.463 4.606 4.120 0.037 0.000 0.305 425 V C -1.048 174.907 176.094 -0.231 0.000 1.043 425 V CA -0.827 61.441 62.300 -0.053 0.000 0.888 425 V CB 1.660 33.498 31.823 0.024 0.000 0.995 425 V HN 0.622 nan 8.190 nan 0.000 0.429 426 Y N 1.772 122.035 120.300 -0.063 0.000 2.425 426 Y HA 0.807 5.379 4.550 0.037 0.000 0.344 426 Y C 0.223 176.182 175.900 0.098 0.000 0.969 426 Y CA -0.579 57.474 58.100 -0.077 0.000 1.052 426 Y CB 2.345 40.415 38.460 -0.649 0.000 1.215 426 Y HN 0.784 nan 8.280 nan 0.000 0.451 427 A N 2.860 126.048 122.820 0.612 0.000 2.435 427 A HA 0.874 5.217 4.320 0.037 0.000 0.304 427 A C -1.909 176.077 177.584 0.669 0.000 1.064 427 A CA -0.728 51.565 52.037 0.426 0.000 0.727 427 A CB 1.113 20.202 19.000 0.149 0.000 1.284 427 A HN 0.762 nan 8.150 nan 0.000 0.415 428 Y N -0.581 119.960 120.300 0.402 0.000 2.615 428 Y HA 0.810 5.382 4.550 0.037 0.000 0.341 428 Y C -1.125 174.947 175.900 0.286 0.000 1.089 428 Y CA -1.534 56.751 58.100 0.308 0.000 1.049 428 Y CB 1.355 39.988 38.460 0.288 0.000 1.296 428 Y HN 0.688 nan 8.280 nan 0.000 0.470 429 I N 2.823 123.685 120.570 0.486 0.000 2.436 429 I HA 0.471 4.663 4.170 0.037 0.000 0.289 429 I C -1.844 174.600 176.117 0.545 0.000 1.010 429 I CA -1.021 60.532 61.300 0.421 0.000 1.098 429 I CB 1.134 39.325 38.000 0.319 0.000 1.266 429 I HN 0.725 nan 8.210 nan 0.000 0.434 430 F N 7.231 127.450 119.950 0.449 0.000 2.391 430 F HA 0.410 4.960 4.527 0.038 0.000 0.359 430 F C 0.571 176.521 175.800 0.250 0.000 1.122 430 F CA 0.027 58.248 58.000 0.368 0.000 1.120 430 F CB 0.917 40.161 39.000 0.407 0.000 1.142 430 F HN 0.547 nan 8.300 nan 0.000 0.483 431 E N 2.968 123.064 120.200 -0.174 0.000 2.630 431 E HA -0.012 4.360 4.350 0.037 0.000 0.218 431 E C -0.752 175.742 176.600 -0.177 0.000 0.977 431 E CA -0.177 56.178 56.400 -0.074 0.000 1.038 431 E CB 0.316 29.993 29.700 -0.038 0.000 1.051 431 E HN 0.500 nan 8.360 nan 0.000 0.487 432 H N 1.606 120.343 119.070 -0.556 0.000 2.527 432 H HA 0.251 4.830 4.556 0.037 0.000 0.321 432 H C -0.498 174.790 175.328 -0.067 0.000 1.087 432 H CA -0.415 55.370 56.048 -0.437 0.000 1.337 432 H CB 0.606 29.887 29.762 -0.803 0.000 1.440 432 H HN -0.148 nan 8.280 nan 0.000 0.490 433 R N 4.086 124.205 120.500 -0.636 0.000 2.229 433 R HA 0.532 4.894 4.340 0.037 0.000 0.328 433 R C -0.681 175.331 176.300 -0.480 0.000 1.009 433 R CA -0.765 55.137 56.100 -0.330 0.000 0.864 433 R CB 0.483 30.692 30.300 -0.153 0.000 1.085 433 R HN 0.812 nan 8.270 nan 0.000 0.453 434 A N 2.913 125.766 122.820 0.056 0.000 2.540 434 A HA 0.019 4.361 4.320 0.037 0.000 0.239 434 A C 1.303 178.999 177.584 0.187 0.000 1.061 434 A CA 0.436 52.719 52.037 0.410 0.000 0.758 434 A CB 0.344 19.750 19.000 0.676 0.000 0.991 434 A HN 1.010 nan 8.150 nan 0.000 0.502 435 S N 1.387 117.236 115.700 0.248 0.000 2.419 435 S HA -0.158 4.335 4.470 0.037 0.000 0.233 435 S C 1.362 175.972 174.600 0.015 0.000 1.016 435 S CA 1.599 59.869 58.200 0.115 0.000 0.974 435 S CB -0.759 62.533 63.200 0.153 0.000 0.786 435 S HN 1.262 nan 8.310 nan 0.000 0.492 436 T N -0.881 113.646 114.554 -0.044 0.000 3.144 436 T HA 0.366 4.738 4.350 0.037 0.000 0.249 436 T C 0.319 174.956 174.700 -0.106 0.000 1.089 436 T CA -0.574 61.433 62.100 -0.155 0.000 0.989 436 T CB -0.479 68.151 68.868 -0.396 0.000 0.992 436 T HN 0.219 nan 8.240 nan 0.000 0.540 437 L N 3.969 125.175 121.223 -0.029 0.000 2.490 437 L HA 0.270 4.632 4.340 0.037 0.000 0.274 437 L C 1.553 178.381 176.870 -0.069 0.000 1.201 437 L CA 0.777 55.598 54.840 -0.033 0.000 0.869 437 L CB 0.837 42.888 42.059 -0.014 0.000 1.123 437 L HN 0.435 nan 8.230 nan 0.000 0.484 438 T N -0.385 114.087 114.554 -0.138 0.000 3.044 438 T HA 0.094 4.467 4.350 0.037 0.000 0.250 438 T C 0.430 175.111 174.700 -0.031 0.000 1.081 438 T CA -0.399 61.606 62.100 -0.157 0.000 1.040 438 T CB -0.327 68.290 68.868 -0.419 0.000 0.962 438 T HN 0.426 nan 8.240 nan 0.000 0.506 439 W N 3.478 124.788 121.300 0.015 0.000 2.126 439 W HA 0.400 5.082 4.660 0.037 0.000 0.346 439 W C -1.947 174.469 176.519 -0.171 0.000 1.279 439 W CA -2.183 55.126 57.345 -0.060 0.000 1.259 439 W CB 0.173 29.509 29.460 -0.207 0.000 1.133 439 W HN -0.014 nan 8.180 nan 0.000 0.592 440 P HA 0.020 nan 4.420 nan 0.000 0.272 440 P C 0.454 177.668 177.300 -0.143 0.000 1.240 440 P CA 0.001 63.059 63.100 -0.069 0.000 0.791 440 P CB 0.876 32.548 31.700 -0.047 0.000 0.978 441 L N 0.091 121.299 121.223 -0.025 0.000 2.127 441 L HA -0.134 4.229 4.340 0.037 0.000 0.211 441 L C 2.600 179.487 176.870 0.028 0.000 1.089 441 L CA 1.453 56.295 54.840 0.004 0.000 0.757 441 L CB -0.931 41.161 42.059 0.055 0.000 0.899 441 L HN 0.603 nan 8.230 nan 0.000 0.434 442 W N -0.662 120.667 121.300 0.049 0.000 2.392 442 W HA -0.161 4.520 4.660 0.036 0.000 0.279 442 W C 1.791 178.352 176.519 0.070 0.000 1.225 442 W CA 0.583 57.959 57.345 0.052 0.000 1.233 442 W CB -0.835 28.658 29.460 0.055 0.000 1.122 442 W HN 0.163 nan 8.180 nan 0.000 0.561 443 M N 1.475 120.671 119.600 -0.675 0.000 2.632 443 M HA 0.075 4.577 4.480 0.037 0.000 0.256 443 M C 1.849 178.039 176.300 -0.183 0.000 1.080 443 M CA 1.604 56.530 55.300 -0.623 0.000 1.084 443 M CB -0.858 31.215 32.600 -0.878 0.000 1.439 443 M HN 0.241 nan 8.290 nan 0.000 0.509 444 G N 0.651 109.403 108.800 -0.080 0.000 2.596 444 G HA2 -0.301 3.681 3.960 0.037 0.000 0.304 444 G HA3 -0.301 3.681 3.960 0.037 0.000 0.304 444 G C -0.067 174.838 174.900 0.008 0.000 1.189 444 G CA -0.038 45.064 45.100 0.003 0.000 0.986 444 G HN 0.256 nan 8.290 nan 0.000 0.548 445 V N 3.819 123.781 119.914 0.080 0.000 2.259 445 V HA 0.472 4.614 4.120 0.037 0.000 0.267 445 V C -1.859 174.362 176.094 0.211 0.000 1.051 445 V CA -0.775 61.622 62.300 0.162 0.000 0.830 445 V CB 1.145 33.108 31.823 0.234 0.000 1.080 445 V HN 0.516 nan 8.190 nan 0.000 0.467 446 P HA 0.212 nan 4.420 nan 0.000 0.278 446 P C -0.300 177.250 177.300 0.415 0.000 1.258 446 P CA -0.591 62.651 63.100 0.236 0.000 0.811 446 P CB 0.408 32.150 31.700 0.070 0.000 1.063 447 H N 0.722 119.914 119.070 0.203 0.000 3.157 447 H HA 0.236 4.814 4.556 0.037 0.000 0.299 447 H C 1.480 176.778 175.328 -0.051 0.000 0.961 447 H CA 2.303 58.404 56.048 0.089 0.000 1.428 447 H CB -0.794 28.998 29.762 0.049 0.000 1.459 447 H HN 0.753 nan 8.280 nan 0.000 0.566 448 G N 3.483 112.083 108.800 -0.332 0.000 2.213 448 G HA2 -0.303 3.679 3.960 0.037 0.000 0.226 448 G HA3 -0.303 3.679 3.960 0.037 0.000 0.226 448 G C 0.510 175.315 174.900 -0.160 0.000 0.992 448 G CA 0.300 45.170 45.100 -0.384 0.000 0.632 448 G HN 0.633 nan 8.290 nan 0.000 0.511 449 Y N 1.484 121.898 120.300 0.189 0.000 2.493 449 Y HA 0.245 4.818 4.550 0.038 0.000 0.275 449 Y C 2.304 178.353 175.900 0.247 0.000 1.183 449 Y CA 0.815 59.089 58.100 0.290 0.000 1.258 449 Y CB 0.484 39.151 38.460 0.345 0.000 1.108 449 Y HN 0.466 nan 8.280 nan 0.000 0.521 450 E N 0.391 120.582 120.200 -0.016 0.000 2.385 450 E HA -0.080 4.293 4.350 0.037 0.000 0.194 450 E C 1.590 178.091 176.600 -0.165 0.000 1.013 450 E CA 0.762 56.825 56.400 -0.562 0.000 0.866 450 E CB -0.325 28.630 29.700 -1.242 0.000 0.832 450 E HN 0.541 nan 8.360 nan 0.000 0.500 451 I N 2.650 123.213 120.570 -0.012 0.000 2.179 451 I HA -0.291 3.902 4.170 0.037 0.000 0.242 451 I C 2.706 178.842 176.117 0.031 0.000 1.088 451 I CA 2.010 63.346 61.300 0.060 0.000 1.357 451 I CB -0.509 37.605 38.000 0.189 0.000 1.051 451 I HN 0.206 nan 8.210 nan 0.000 0.409 452 E N 1.114 121.281 120.200 -0.055 0.000 2.209 452 E HA -0.244 4.129 4.350 0.037 0.000 0.196 452 E C 2.009 178.367 176.600 -0.404 0.000 0.993 452 E CA 1.531 57.794 56.400 -0.227 0.000 0.819 452 E CB -0.511 29.037 29.700 -0.254 0.000 0.745 452 E HN 0.445 nan 8.360 nan 0.000 0.477 453 F N 1.257 121.105 119.950 -0.170 0.000 2.149 453 F HA -0.014 4.536 4.527 0.038 0.000 0.294 453 F C 2.378 177.944 175.800 -0.389 0.000 1.095 453 F CA 0.509 58.350 58.000 -0.265 0.000 1.276 453 F CB -0.138 38.797 39.000 -0.109 0.000 1.023 453 F HN -0.040 nan 8.300 nan 0.000 0.480 454 I N -0.697 119.699 120.570 -0.290 0.000 2.226 454 I HA -0.290 3.903 4.170 0.037 0.000 0.245 454 I C 2.164 177.997 176.117 -0.473 0.000 1.100 454 I CA 1.710 62.660 61.300 -0.582 0.000 1.374 454 I CB -1.467 36.018 38.000 -0.859 0.000 1.057 454 I HN 0.098 nan 8.210 nan 0.000 0.413 455 F N 1.041 120.806 119.950 -0.308 0.000 2.604 455 F HA 0.121 4.670 4.527 0.037 0.000 0.298 455 F C 1.897 177.546 175.800 -0.251 0.000 1.131 455 F CA 0.974 58.833 58.000 -0.235 0.000 1.457 455 F CB -0.301 38.548 39.000 -0.252 0.000 1.095 455 F HN 0.311 nan 8.300 nan 0.000 0.574 456 G N -0.014 108.618 108.800 -0.280 0.000 2.149 456 G HA2 -0.285 3.697 3.960 0.037 0.000 0.235 456 G HA3 -0.285 3.697 3.960 0.037 0.000 0.235 456 G C 0.866 175.151 174.900 -1.024 0.000 1.018 456 G CA 0.234 45.046 45.100 -0.481 0.000 0.728 456 G HN 0.287 nan 8.290 nan 0.000 0.508 457 L N 0.304 120.964 121.223 -0.939 0.000 2.131 457 L HA 0.062 4.425 4.340 0.037 0.000 0.210 457 L C 0.303 176.676 176.870 -0.829 0.000 1.092 457 L CA 2.506 56.739 54.840 -1.013 0.000 0.759 457 L CB -0.859 40.905 42.059 -0.492 0.000 0.903 457 L HN 0.195 nan 8.230 nan 0.000 0.435 458 P HA -0.136 nan 4.420 nan 0.000 0.229 458 P C 1.495 178.583 177.300 -0.353 0.000 1.150 458 P CA 0.864 63.470 63.100 -0.823 0.000 0.765 458 P CB 0.055 31.194 31.700 -0.936 0.000 0.783 459 L N -1.227 119.742 121.223 -0.423 0.000 2.395 459 L HA 0.001 4.363 4.340 0.037 0.000 0.218 459 L C 0.942 177.782 176.870 -0.050 0.000 1.130 459 L CA 1.074 55.795 54.840 -0.198 0.000 0.826 459 L CB -0.975 40.990 42.059 -0.157 0.000 0.941 459 L HN -0.070 nan 8.230 nan 0.000 0.451 460 D N 0.511 120.868 120.400 -0.072 0.000 2.352 460 D HA 0.070 4.732 4.640 0.037 0.000 0.245 460 D C -1.528 174.809 176.300 0.063 0.000 1.224 460 D CA -2.080 51.975 54.000 0.092 0.000 0.879 460 D CB 1.339 42.241 40.800 0.169 0.000 1.057 460 D HN 0.003 nan 8.370 nan 0.000 0.491 461 P HA -0.131 nan 4.420 nan 0.000 0.223 461 P C 1.232 178.555 177.300 0.038 0.000 1.151 461 P CA 0.646 63.776 63.100 0.049 0.000 0.787 461 P CB 0.044 31.766 31.700 0.037 0.000 0.788 462 S N -0.428 115.292 115.700 0.034 0.000 2.500 462 S HA -0.067 4.426 4.470 0.037 0.000 0.239 462 S C 1.796 176.392 174.600 -0.008 0.000 0.989 462 S CA 0.643 58.849 58.200 0.011 0.000 0.951 462 S CB -1.394 61.812 63.200 0.011 0.000 0.759 462 S HN 0.122 nan 8.310 nan 0.000 0.523 463 L N 0.581 121.813 121.223 0.014 0.000 2.558 463 L HA 0.202 4.564 4.340 0.037 0.000 0.225 463 L C 0.389 177.171 176.870 -0.146 0.000 1.128 463 L CA 0.034 54.848 54.840 -0.044 0.000 0.868 463 L CB -0.655 41.438 42.059 0.058 0.000 1.006 463 L HN 0.272 nan 8.230 nan 0.000 0.454 464 N N -1.569 117.100 118.700 -0.052 0.000 2.829 464 N HA -0.214 4.549 4.740 0.037 0.000 0.250 464 N C -0.337 175.117 175.510 -0.093 0.000 1.090 464 N CA 0.746 53.752 53.050 -0.073 0.000 0.781 464 N CB -1.664 36.758 38.487 -0.109 0.000 1.124 464 N HN 0.282 nan 8.380 nan 0.000 0.559 465 Y N 1.232 121.523 120.300 -0.016 0.000 2.330 465 Y HA 0.140 4.712 4.550 0.037 0.000 0.341 465 Y C 2.075 178.001 175.900 0.043 0.000 1.278 465 Y CA 0.485 58.602 58.100 0.027 0.000 1.453 465 Y CB 0.348 38.814 38.460 0.011 0.000 1.342 465 Y HN 0.081 nan 8.280 nan 0.000 0.590 466 T N -3.152 111.561 114.554 0.266 0.000 2.754 466 T HA 0.082 4.454 4.350 0.037 0.000 0.286 466 T C 1.073 175.854 174.700 0.134 0.000 0.997 466 T CA -0.299 61.897 62.100 0.159 0.000 0.982 466 T CB 0.782 69.732 68.868 0.138 0.000 1.027 466 T HN 0.679 nan 8.240 nan 0.000 0.529 467 T N 0.829 115.433 114.554 0.083 0.000 2.821 467 T HA -0.058 4.315 4.350 0.037 0.000 0.267 467 T C 1.820 176.553 174.700 0.055 0.000 1.046 467 T CA 1.583 63.718 62.100 0.059 0.000 1.139 467 T CB -0.409 68.482 68.868 0.038 0.000 0.871 467 T HN 0.718 nan 8.240 nan 0.000 0.454 468 E N 1.363 121.592 120.200 0.048 0.000 2.110 468 E HA -0.102 4.270 4.350 0.037 0.000 0.193 468 E C 2.212 178.839 176.600 0.044 0.000 0.988 468 E CA 1.030 57.440 56.400 0.018 0.000 0.804 468 E CB -0.194 29.494 29.700 -0.021 0.000 0.745 468 E HN 0.579 nan 8.360 nan 0.000 0.458 469 E N 0.088 120.356 120.200 0.113 0.000 2.150 469 E HA -0.125 4.247 4.350 0.037 0.000 0.193 469 E C 2.106 178.827 176.600 0.201 0.000 0.985 469 E CA 0.405 56.954 56.400 0.248 0.000 0.814 469 E CB 0.012 29.979 29.700 0.446 0.000 0.752 469 E HN 0.058 nan 8.360 nan 0.000 0.466 470 R N 0.929 121.482 120.500 0.087 0.000 2.066 470 R HA -0.116 4.247 4.340 0.037 0.000 0.232 470 R C 2.228 178.536 176.300 0.014 0.000 1.131 470 R CA 1.080 57.181 56.100 0.001 0.000 0.955 470 R CB -0.275 30.024 30.300 -0.001 0.000 0.851 470 R HN 0.186 nan 8.270 nan 0.000 0.432 471 I N 0.388 120.985 120.570 0.045 0.000 2.286 471 I HA -0.286 3.907 4.170 0.037 0.000 0.248 471 I C 2.252 178.415 176.117 0.078 0.000 1.115 471 I CA 0.990 62.314 61.300 0.039 0.000 1.392 471 I CB -0.358 37.664 38.000 0.037 0.000 1.065 471 I HN 0.125 nan 8.210 nan 0.000 0.418 472 F N 1.926 121.838 119.950 -0.062 0.000 2.075 472 F HA -0.224 4.327 4.527 0.039 0.000 0.297 472 F C 2.497 178.285 175.800 -0.020 0.000 1.113 472 F CA 1.334 59.289 58.000 -0.074 0.000 1.218 472 F CB -0.770 38.130 39.000 -0.167 0.000 0.984 472 F HN 0.021 nan 8.300 nan 0.000 0.472 473 A N 0.147 122.925 122.820 -0.070 0.000 1.917 473 A HA -0.285 4.057 4.320 0.037 0.000 0.219 473 A C 2.164 179.620 177.584 -0.213 0.000 1.182 473 A CA 2.057 53.981 52.037 -0.188 0.000 0.633 473 A CB -1.019 17.877 19.000 -0.173 0.000 0.819 473 A HN 0.643 nan 8.150 nan 0.000 0.448 474 Q N -0.997 118.719 119.800 -0.141 0.000 2.135 474 Q HA -0.190 4.173 4.340 0.037 0.000 0.204 474 Q C 2.387 178.288 176.000 -0.165 0.000 0.981 474 Q CA 1.581 57.310 55.803 -0.124 0.000 0.856 474 Q CB -0.186 28.508 28.738 -0.074 0.000 0.902 474 Q HN 0.640 nan 8.270 nan 0.000 0.425 475 R N 0.218 120.605 120.500 -0.189 0.000 2.081 475 R HA -0.099 4.263 4.340 0.037 0.000 0.235 475 R C 2.315 178.363 176.300 -0.421 0.000 1.131 475 R CA 1.066 56.979 56.100 -0.313 0.000 0.960 475 R CB -0.214 29.970 30.300 -0.193 0.000 0.856 475 R HN 0.231 nan 8.270 nan 0.000 0.436 476 L N -0.020 121.029 121.223 -0.290 0.000 2.027 476 L HA -0.168 4.195 4.340 0.037 0.000 0.206 476 L C 2.535 179.359 176.870 -0.077 0.000 1.074 476 L CA 1.311 56.066 54.840 -0.141 0.000 0.745 476 L CB -0.364 41.448 42.059 -0.411 0.000 0.898 476 L HN 0.213 nan 8.230 nan 0.000 0.433 477 M N -0.585 118.906 119.600 -0.182 0.000 2.106 477 M HA -0.254 4.249 4.480 0.037 0.000 0.259 477 M C 2.352 178.644 176.300 -0.014 0.000 1.068 477 M CA 1.713 56.943 55.300 -0.118 0.000 1.100 477 M CB -0.370 32.152 32.600 -0.130 0.000 1.351 477 M HN 0.110 nan 8.290 nan 0.000 0.404 478 K N -0.389 119.969 120.400 -0.071 0.000 2.057 478 K HA -0.145 4.198 4.320 0.037 0.000 0.206 478 K C 1.888 178.523 176.600 0.059 0.000 1.050 478 K CA 1.635 57.886 56.287 -0.060 0.000 0.935 478 K CB -0.369 32.027 32.500 -0.174 0.000 0.715 478 K HN 0.335 nan 8.250 nan 0.000 0.439 479 Y N -0.182 120.245 120.300 0.212 0.000 2.145 479 Y HA -0.221 4.351 4.550 0.037 0.000 0.286 479 Y C 2.415 178.438 175.900 0.206 0.000 1.145 479 Y CA 0.853 59.106 58.100 0.256 0.000 1.148 479 Y CB -0.778 37.974 38.460 0.487 0.000 0.981 479 Y HN 0.219 nan 8.280 nan 0.000 0.507 480 W N 0.599 121.965 121.300 0.111 0.000 2.355 480 W HA -0.232 4.450 4.660 0.037 0.000 0.309 480 W C 2.481 178.996 176.519 -0.007 0.000 1.206 480 W CA 2.275 59.626 57.345 0.010 0.000 1.284 480 W CB -0.648 28.744 29.460 -0.114 0.000 1.145 480 W HN 0.240 nan 8.180 nan 0.000 0.502 481 T N -2.303 112.349 114.554 0.163 0.000 2.942 481 T HA -0.120 4.253 4.350 0.037 0.000 0.265 481 T C 1.453 176.170 174.700 0.028 0.000 1.062 481 T CA 1.065 63.194 62.100 0.048 0.000 1.139 481 T CB -0.619 68.259 68.868 0.016 0.000 0.883 481 T HN -0.071 nan 8.240 nan 0.000 0.468 482 N N 0.974 119.706 118.700 0.053 0.000 2.120 482 N HA -0.027 4.736 4.740 0.037 0.000 0.188 482 N C 1.411 176.909 175.510 -0.021 0.000 1.024 482 N CA 1.057 54.119 53.050 0.019 0.000 0.852 482 N CB -0.654 37.863 38.487 0.049 0.000 1.003 482 N HN 0.452 nan 8.380 nan 0.000 0.424 483 F N 1.810 121.667 119.950 -0.156 0.000 2.126 483 F HA -0.124 4.426 4.527 0.038 0.000 0.299 483 F C 2.212 177.922 175.800 -0.151 0.000 1.096 483 F CA 1.354 59.209 58.000 -0.242 0.000 1.255 483 F CB -0.476 38.289 39.000 -0.392 0.000 0.997 483 F HN 0.034 nan 8.300 nan 0.000 0.479 484 A N 0.625 123.354 122.820 -0.152 0.000 1.908 484 A HA -0.200 4.143 4.320 0.037 0.000 0.218 484 A C 2.355 179.824 177.584 -0.192 0.000 1.181 484 A CA 1.840 53.771 52.037 -0.178 0.000 0.627 484 A CB -0.709 18.253 19.000 -0.065 0.000 0.818 484 A HN 0.472 nan 8.150 nan 0.000 0.445 485 R N -1.087 119.329 120.500 -0.139 0.000 2.075 485 R HA -0.072 4.291 4.340 0.037 0.000 0.232 485 R C 1.881 178.090 176.300 -0.150 0.000 1.126 485 R CA 1.867 57.899 56.100 -0.114 0.000 0.963 485 R CB -0.300 29.959 30.300 -0.067 0.000 0.858 485 R HN 0.720 nan 8.270 nan 0.000 0.435 486 T N -5.247 109.191 114.554 -0.192 0.000 3.016 486 T HA 0.260 4.632 4.350 0.037 0.000 0.271 486 T C 1.133 175.696 174.700 -0.229 0.000 0.968 486 T CA 0.286 62.286 62.100 -0.167 0.000 0.891 486 T CB 1.359 70.168 68.868 -0.099 0.000 1.149 486 T HN 0.347 nan 8.240 nan 0.000 0.524 487 G N 1.391 109.914 108.800 -0.461 0.000 2.143 487 G HA2 -0.181 3.802 3.960 0.037 0.000 0.248 487 G HA3 -0.181 3.802 3.960 0.037 0.000 0.248 487 G C -0.356 174.424 174.900 -0.199 0.000 0.991 487 G CA 0.249 44.987 45.100 -0.604 0.000 0.689 487 G HN 0.788 nan 8.290 nan 0.000 0.522 488 D N -0.705 119.589 120.400 -0.177 0.000 2.736 488 D HA 0.417 5.079 4.640 0.037 0.000 0.243 488 D C -1.474 174.664 176.300 -0.270 0.000 1.304 488 D CA -1.557 52.299 54.000 -0.239 0.000 0.934 488 D CB 2.025 42.786 40.800 -0.065 0.000 1.382 488 D HN 0.004 nan 8.370 nan 0.000 0.571 489 P HA -0.035 nan 4.420 nan 0.000 0.237 489 P C 0.010 177.335 177.300 0.042 0.000 1.178 489 P CA 0.062 63.003 63.100 -0.266 0.000 0.766 489 P CB 0.355 31.621 31.700 -0.725 0.000 0.876 490 N N 1.819 120.512 118.700 -0.010 0.000 2.513 490 N HA 0.015 4.777 4.740 0.037 0.000 0.268 490 N C 0.005 175.589 175.510 0.122 0.000 1.180 490 N CA 0.353 53.492 53.050 0.149 0.000 0.948 490 N CB 0.450 39.017 38.487 0.133 0.000 1.083 490 N HN 0.005 nan 8.380 nan 0.000 0.455 491 D N 2.559 123.048 120.400 0.148 0.000 2.338 491 D HA 0.107 4.769 4.640 0.037 0.000 0.255 491 D C -1.394 174.947 176.300 0.068 0.000 1.237 491 D CA -1.750 52.300 54.000 0.085 0.000 0.883 491 D CB 1.054 41.893 40.800 0.065 0.000 1.087 491 D HN 0.314 nan 8.370 nan 0.000 0.485 492 P HA -0.040 nan 4.420 nan 0.000 0.233 492 P C 0.639 177.960 177.300 0.035 0.000 1.167 492 P CA 0.452 63.576 63.100 0.040 0.000 0.770 492 P CB 0.078 31.794 31.700 0.026 0.000 0.837 493 R N 0.239 120.758 120.500 0.032 0.000 3.541 493 R HA 0.248 4.610 4.340 0.037 0.000 0.277 493 R C -0.189 176.130 176.300 0.032 0.000 1.539 493 R CA 0.080 56.196 56.100 0.027 0.000 1.338 493 R CB -1.330 28.981 30.300 0.019 0.000 1.343 493 R HN 0.050 nan 8.270 nan 0.000 0.623 494 D N -1.855 118.571 120.400 0.043 0.000 2.688 494 D HA 0.118 4.780 4.640 0.037 0.000 0.210 494 D C 0.135 176.469 176.300 0.058 0.000 1.333 494 D CA -0.012 54.018 54.000 0.050 0.000 0.920 494 D CB 2.033 42.870 40.800 0.061 0.000 1.554 494 D HN 0.011 nan 8.370 nan 0.000 0.579 495 S N 2.824 118.554 115.700 0.049 0.000 2.421 495 S HA 0.024 4.516 4.470 0.037 0.000 0.224 495 S C 1.526 176.160 174.600 0.056 0.000 1.035 495 S CA 0.856 59.087 58.200 0.052 0.000 0.953 495 S CB 0.239 63.464 63.200 0.041 0.000 0.810 495 S HN 0.374 nan 8.310 nan 0.000 0.497 496 K N 1.624 122.053 120.400 0.050 0.000 2.057 496 K HA -0.019 4.324 4.320 0.037 0.000 0.207 496 K C 0.994 177.629 176.600 0.057 0.000 1.049 496 K CA 1.155 57.470 56.287 0.046 0.000 0.931 496 K CB -0.278 32.244 32.500 0.038 0.000 0.714 496 K HN 0.523 nan 8.250 nan 0.000 0.440 497 S N 1.978 117.722 115.700 0.072 0.000 2.565 497 S HA 0.253 4.745 4.470 0.037 0.000 0.276 497 S C -2.502 172.165 174.600 0.112 0.000 1.326 497 S CA -1.665 56.591 58.200 0.093 0.000 1.045 497 S CB 0.873 64.141 63.200 0.113 0.000 0.918 497 S HN -0.097 nan 8.310 nan 0.000 0.505 498 P HA 0.193 nan 4.420 nan 0.000 0.271 498 P C -0.512 176.875 177.300 0.146 0.000 1.218 498 P CA -0.333 62.827 63.100 0.100 0.000 0.780 498 P CB 0.345 32.084 31.700 0.065 0.000 0.901 499 Q N 0.881 120.768 119.800 0.145 0.000 2.327 499 Q HA 0.117 4.480 4.340 0.037 0.000 0.254 499 Q C -0.628 175.530 176.000 0.263 0.000 0.952 499 Q CA 0.181 56.106 55.803 0.203 0.000 0.884 499 Q CB 0.825 29.667 28.738 0.173 0.000 1.224 499 Q HN 0.560 nan 8.270 nan 0.000 0.422 500 W N 6.371 127.736 121.300 0.108 0.000 2.308 500 W HA 0.326 5.010 4.660 0.040 0.000 0.311 500 W C -2.472 174.190 176.519 0.238 0.000 1.088 500 W CA -2.559 54.860 57.345 0.124 0.000 1.309 500 W CB 0.618 30.101 29.460 0.039 0.000 1.229 500 W HN 0.384 nan 8.180 nan 0.000 0.427 501 P HA 0.283 nan 4.420 nan 0.000 0.281 501 P C -2.633 174.832 177.300 0.275 0.000 1.249 501 P CA -1.837 61.474 63.100 0.352 0.000 0.810 501 P CB 0.891 32.712 31.700 0.203 0.000 1.008 502 P HA 0.027 nan 4.420 nan 0.000 0.265 502 P C -0.504 176.760 177.300 -0.061 0.000 1.193 502 P CA 0.234 63.090 63.100 -0.406 0.000 0.765 502 P CB -0.052 31.409 31.700 -0.398 0.000 0.823 503 Y N 3.515 123.749 120.300 -0.109 0.000 2.442 503 Y HA 0.312 4.884 4.550 0.037 0.000 0.330 503 Y C 0.505 176.392 175.900 -0.022 0.000 1.129 503 Y CA 0.779 58.887 58.100 0.013 0.000 1.365 503 Y CB 0.341 38.834 38.460 0.054 0.000 1.233 503 Y HN 0.432 nan 8.280 nan 0.000 0.529 504 T N 0.229 114.520 114.554 -0.439 0.000 2.896 504 T HA 0.243 4.616 4.350 0.037 0.000 0.297 504 T C 0.809 175.254 174.700 -0.424 0.000 1.108 504 T CA -0.225 61.713 62.100 -0.269 0.000 1.004 504 T CB 1.264 70.045 68.868 -0.146 0.000 1.159 504 T HN 0.649 nan 8.240 nan 0.000 0.499 505 T N -0.679 113.782 114.554 -0.156 0.000 2.867 505 T HA 0.050 4.422 4.350 0.037 0.000 0.268 505 T C 2.185 176.827 174.700 -0.095 0.000 1.057 505 T CA 0.959 63.008 62.100 -0.085 0.000 1.136 505 T CB -0.740 68.140 68.868 0.020 0.000 0.874 505 T HN 0.872 nan 8.240 nan 0.000 0.466 506 A N 2.077 124.844 122.820 -0.089 0.000 1.832 506 A HA 0.467 4.809 4.320 0.037 0.000 0.214 506 A C 2.790 180.325 177.584 -0.081 0.000 1.200 506 A CA 1.682 53.682 52.037 -0.061 0.000 0.610 506 A CB -1.413 17.563 19.000 -0.040 0.000 0.842 506 A HN 0.724 nan 8.150 nan 0.000 0.444 507 A N -2.283 120.469 122.820 -0.114 0.000 2.021 507 A HA 0.151 4.494 4.320 0.037 0.000 0.216 507 A C 1.106 178.614 177.584 -0.127 0.000 1.163 507 A CA 1.121 53.103 52.037 -0.092 0.000 0.676 507 A CB -0.377 18.581 19.000 -0.069 0.000 0.818 507 A HN 0.612 nan 8.150 nan 0.000 0.453 508 Q N -0.667 118.942 119.800 -0.318 0.000 2.457 508 Q HA -0.215 4.147 4.340 0.037 0.000 0.283 508 Q C -0.739 175.235 176.000 -0.045 0.000 1.234 508 Q CA 0.671 56.204 55.803 -0.450 0.000 0.877 508 Q CB -1.696 26.984 28.738 -0.096 0.000 1.250 508 Q HN 0.847 nan 8.270 nan 0.000 0.481 509 Q N 0.502 120.280 119.800 -0.037 0.000 2.304 509 Q HA 0.418 4.780 4.340 0.037 0.000 0.260 509 Q C -0.389 175.863 176.000 0.420 0.000 0.965 509 Q CA 0.054 55.949 55.803 0.152 0.000 0.898 509 Q CB 0.503 29.287 28.738 0.076 0.000 1.196 509 Q HN 0.335 nan 8.270 nan 0.000 0.402 510 Y N -1.127 119.305 120.300 0.220 0.000 2.638 510 Y HA 0.752 5.323 4.550 0.036 0.000 0.339 510 Y C -0.957 174.962 175.900 0.031 0.000 1.084 510 Y CA -1.582 56.651 58.100 0.222 0.000 1.068 510 Y CB 0.638 39.232 38.460 0.223 0.000 1.294 510 Y HN 0.342 nan 8.280 nan 0.000 0.480 511 V N -0.323 119.541 119.914 -0.083 0.000 2.815 511 V HA 0.827 4.970 4.120 0.037 0.000 0.314 511 V C -0.337 175.674 176.094 -0.140 0.000 1.064 511 V CA -0.590 61.491 62.300 -0.365 0.000 0.952 511 V CB 1.343 32.645 31.823 -0.869 0.000 1.020 511 V HN 1.170 nan 8.190 nan 0.000 0.439 512 S N 4.125 119.738 115.700 -0.144 0.000 2.452 512 S HA 0.672 5.165 4.470 0.037 0.000 0.284 512 S C -0.436 174.129 174.600 -0.059 0.000 1.171 512 S CA -0.654 57.533 58.200 -0.021 0.000 1.064 512 S CB 0.510 63.692 63.200 -0.029 0.000 0.967 512 S HN 0.767 nan 8.310 nan 0.000 0.484 513 L N 4.505 125.743 121.223 0.025 0.000 2.259 513 L HA 0.475 4.837 4.340 0.037 0.000 0.288 513 L C -0.075 176.727 176.870 -0.113 0.000 1.051 513 L CA -0.390 54.493 54.840 0.071 0.000 0.824 513 L CB -0.333 41.869 42.059 0.238 0.000 1.206 513 L HN 0.908 nan 8.230 nan 0.000 0.429 514 N N 2.089 120.668 118.700 -0.201 0.000 3.344 514 N HA 0.338 5.101 4.740 0.037 0.000 0.296 514 N C 0.261 175.258 175.510 -0.856 0.000 1.571 514 N CA -0.970 51.700 53.050 -0.634 0.000 0.844 514 N CB 0.636 38.904 38.487 -0.365 0.000 1.718 514 N HN 0.160 nan 8.380 nan 0.000 0.589 515 L N -0.730 119.977 121.223 -0.860 0.000 2.201 515 L HA 0.035 4.398 4.340 0.037 0.000 0.212 515 L C 0.603 177.290 176.870 -0.304 0.000 1.105 515 L CA 1.048 55.486 54.840 -0.670 0.000 0.775 515 L CB -0.501 41.247 42.059 -0.519 0.000 0.913 515 L HN 0.422 nan 8.230 nan 0.000 0.440 516 K N 0.342 120.607 120.400 -0.225 0.000 2.219 516 K HA 0.211 4.554 4.320 0.037 0.000 0.258 516 K C -2.160 174.400 176.600 -0.067 0.000 1.008 516 K CA -1.860 54.358 56.287 -0.116 0.000 0.928 516 K CB -0.179 32.265 32.500 -0.094 0.000 0.983 516 K HN -0.176 nan 8.250 nan 0.000 0.484 517 P HA -0.044 nan 4.420 nan 0.000 0.268 517 P C -0.250 177.052 177.300 0.004 0.000 1.208 517 P CA -0.051 63.060 63.100 0.018 0.000 0.777 517 P CB 0.367 32.078 31.700 0.019 0.000 0.875 518 L N 1.464 122.705 121.223 0.031 0.000 2.615 518 L HA -0.081 4.282 4.340 0.037 0.000 0.284 518 L C 1.128 177.958 176.870 -0.066 0.000 1.237 518 L CA 0.895 55.708 54.840 -0.045 0.000 0.905 518 L CB -0.270 41.751 42.059 -0.064 0.000 1.149 518 L HN 0.522 nan 8.230 nan 0.000 0.499 519 E N 3.152 123.286 120.200 -0.110 0.000 2.187 519 E HA 0.421 4.793 4.350 0.037 0.000 0.268 519 E C -1.352 175.145 176.600 -0.172 0.000 0.896 519 E CA -0.812 55.522 56.400 -0.110 0.000 0.766 519 E CB 1.939 31.583 29.700 -0.093 0.000 1.142 519 E HN 0.303 nan 8.360 nan 0.000 0.408 520 V N 5.021 124.847 119.914 -0.146 0.000 2.432 520 V HA 0.425 4.567 4.120 0.037 0.000 0.275 520 V C 0.291 176.243 176.094 -0.236 0.000 1.043 520 V CA -0.275 61.917 62.300 -0.180 0.000 0.925 520 V CB 0.909 32.685 31.823 -0.079 0.000 0.985 520 V HN 0.702 nan 8.190 nan 0.000 0.466 521 R N 3.774 124.011 120.500 -0.438 0.000 2.888 521 R HA 0.746 5.109 4.340 0.037 0.000 0.266 521 R C -0.889 175.204 176.300 -0.344 0.000 1.020 521 R CA -1.069 54.747 56.100 -0.474 0.000 0.963 521 R CB 2.538 32.364 30.300 -0.791 0.000 1.197 521 R HN 0.582 nan 8.270 nan 0.000 0.481 522 R N -0.030 120.435 120.500 -0.059 0.000 2.480 522 R HA 0.487 4.850 4.340 0.037 0.000 0.306 522 R C -0.858 175.615 176.300 0.288 0.000 0.958 522 R CA -0.454 55.720 56.100 0.123 0.000 0.861 522 R CB 2.193 32.525 30.300 0.053 0.000 1.171 522 R HN 0.901 nan 8.270 nan 0.000 0.445 523 G N 2.591 111.626 108.800 0.392 0.000 3.269 523 G HA2 -0.191 3.792 3.960 0.037 0.000 0.668 523 G HA3 -0.191 3.792 3.960 0.037 0.000 0.668 523 G C -1.175 173.902 174.900 0.294 0.000 1.100 523 G CA -0.972 44.306 45.100 0.297 0.000 0.940 523 G HN 0.395 nan 8.290 nan 0.000 0.438 524 L N 4.104 125.396 121.223 0.115 0.000 2.385 524 L HA 0.534 4.897 4.340 0.037 0.000 0.285 524 L C 1.590 178.466 176.870 0.010 0.000 1.125 524 L CA -0.325 54.419 54.840 -0.161 0.000 0.890 524 L CB -0.256 41.626 42.059 -0.295 0.000 1.251 524 L HN 0.675 nan 8.230 nan 0.000 0.445 525 R N 3.022 123.562 120.500 0.066 0.000 3.322 525 R HA -0.281 4.082 4.340 0.037 0.000 0.253 525 R C 1.327 177.715 176.300 0.147 0.000 0.987 525 R CA 0.715 56.890 56.100 0.126 0.000 0.666 525 R CB -2.165 28.221 30.300 0.143 0.000 1.072 525 R HN 0.792 nan 8.270 nan 0.000 0.447 526 A N 0.531 123.435 122.820 0.140 0.000 1.892 526 A HA -0.257 4.085 4.320 0.037 0.000 0.218 526 A C 2.077 179.748 177.584 0.145 0.000 1.188 526 A CA 1.367 53.488 52.037 0.139 0.000 0.631 526 A CB -0.097 18.979 19.000 0.128 0.000 0.822 526 A HN 0.384 nan 8.150 nan 0.000 0.447 527 Q N -0.836 119.050 119.800 0.142 0.000 2.049 527 Q HA -0.079 4.284 4.340 0.037 0.000 0.198 527 Q C 2.258 178.376 176.000 0.197 0.000 0.971 527 Q CA 2.004 57.895 55.803 0.146 0.000 0.833 527 Q CB -1.196 27.614 28.738 0.120 0.000 0.896 527 Q HN 0.650 nan 8.270 nan 0.000 0.434 528 T N 0.435 115.125 114.554 0.227 0.000 2.821 528 T HA -0.112 4.261 4.350 0.037 0.000 0.267 528 T C 1.965 176.875 174.700 0.349 0.000 1.046 528 T CA 1.118 63.378 62.100 0.267 0.000 1.139 528 T CB -0.225 68.837 68.868 0.323 0.000 0.871 528 T HN 0.304 nan 8.240 nan 0.000 0.454 529 c N 1.452 120.241 118.600 0.315 0.000 2.468 529 c HA 0.314 4.906 4.570 0.037 0.000 0.277 529 c C 3.108 177.355 174.090 0.262 0.000 1.400 529 c CA -0.125 56.403 56.329 0.332 0.000 1.770 529 c CB -1.327 41.314 42.510 0.219 0.000 1.905 529 c HN 0.636 nan 8.230 nan 0.000 0.519 530 A N 0.280 123.224 122.820 0.206 0.000 1.972 530 A HA -0.193 4.150 4.320 0.037 0.000 0.219 530 A C 1.837 179.527 177.584 0.175 0.000 1.169 530 A CA 1.556 53.693 52.037 0.166 0.000 0.635 530 A CB -0.727 18.357 19.000 0.141 0.000 0.810 530 A HN 0.562 nan 8.150 nan 0.000 0.446 531 F N -0.888 119.063 119.950 0.002 0.000 2.075 531 F HA -0.143 4.409 4.527 0.041 0.000 0.297 531 F C 1.942 177.708 175.800 -0.056 0.000 1.113 531 F CA 1.689 59.614 58.000 -0.125 0.000 1.218 531 F CB -0.588 38.082 39.000 -0.550 0.000 0.984 531 F HN 0.367 nan 8.300 nan 0.000 0.472 532 W N 0.677 121.920 121.300 -0.096 0.000 2.407 532 W HA -0.112 4.569 4.660 0.036 0.000 0.305 532 W C 2.300 178.751 176.519 -0.112 0.000 1.196 532 W CA 1.020 58.265 57.345 -0.166 0.000 1.311 532 W CB -0.626 28.872 29.460 0.063 0.000 1.135 532 W HN -0.046 nan 8.180 nan 0.000 0.514 533 N N -0.170 118.653 118.700 0.204 0.000 2.300 533 N HA -0.014 4.748 4.740 0.037 0.000 0.179 533 N C 1.522 177.065 175.510 0.055 0.000 1.016 533 N CA 1.118 54.237 53.050 0.114 0.000 0.876 533 N CB -0.285 38.269 38.487 0.111 0.000 0.979 533 N HN 0.249 nan 8.380 nan 0.000 0.432 534 R N -1.424 119.111 120.500 0.058 0.000 2.194 534 R HA 0.217 4.579 4.340 0.037 0.000 0.194 534 R C 1.488 177.812 176.300 0.040 0.000 0.985 534 R CA 0.007 56.139 56.100 0.054 0.000 1.104 534 R CB -0.173 30.182 30.300 0.092 0.000 1.092 534 R HN 0.061 nan 8.270 nan 0.000 0.555 535 F N 1.573 121.446 119.950 -0.129 0.000 2.147 535 F HA 0.107 4.657 4.527 0.039 0.000 0.291 535 F C 1.803 177.459 175.800 -0.240 0.000 1.093 535 F CA 1.027 58.930 58.000 -0.161 0.000 1.263 535 F CB -0.137 38.784 39.000 -0.132 0.000 1.036 535 F HN -0.160 nan 8.300 nan 0.000 0.481 536 L N 0.579 121.473 121.223 -0.549 0.000 2.042 536 L HA -0.174 4.188 4.340 0.037 0.000 0.210 536 L C -0.361 176.275 176.870 -0.389 0.000 1.076 536 L CA 1.663 56.153 54.840 -0.583 0.000 0.749 536 L CB -2.214 39.538 42.059 -0.512 0.000 0.893 536 L HN 0.140 nan 8.230 nan 0.000 0.432 537 P HA -0.212 nan 4.420 nan 0.000 0.214 537 P C 1.436 178.612 177.300 -0.206 0.000 1.163 537 P CA 1.525 64.524 63.100 -0.168 0.000 0.889 537 P CB -0.006 31.635 31.700 -0.098 0.000 0.790 538 K N -1.241 119.010 120.400 -0.249 0.000 2.103 538 K HA -0.169 4.174 4.320 0.037 0.000 0.207 538 K C 1.960 178.369 176.600 -0.319 0.000 1.048 538 K CA 0.990 57.134 56.287 -0.238 0.000 0.930 538 K CB -0.812 31.568 32.500 -0.200 0.000 0.716 538 K HN 0.035 nan 8.250 nan 0.000 0.444 539 L N 1.180 122.084 121.223 -0.532 0.000 1.961 539 L HA -0.152 4.210 4.340 0.037 0.000 0.210 539 L C 1.800 178.518 176.870 -0.254 0.000 1.072 539 L CA 1.734 56.284 54.840 -0.484 0.000 0.749 539 L CB -0.501 41.173 42.059 -0.642 0.000 0.889 539 L HN 0.133 nan 8.230 nan 0.000 0.432 540 L N -0.480 120.611 121.223 -0.221 0.000 2.291 540 L HA -0.036 4.327 4.340 0.037 0.000 0.214 540 L C 1.908 178.717 176.870 -0.101 0.000 1.120 540 L CA 0.980 55.740 54.840 -0.133 0.000 0.799 540 L CB -0.709 41.284 42.059 -0.110 0.000 0.925 540 L HN 0.505 nan 8.230 nan 0.000 0.446 541 S N -0.768 114.866 115.700 -0.109 0.000 2.859 541 S HA 0.362 4.854 4.470 0.037 0.000 0.245 541 S C 0.836 175.393 174.600 -0.073 0.000 1.008 541 S CA 0.304 58.457 58.200 -0.079 0.000 1.089 541 S CB 0.220 63.376 63.200 -0.073 0.000 0.798 541 S HN 0.346 nan 8.310 nan 0.000 0.477 542 A N 0.484 123.257 122.820 -0.078 0.000 1.535 542 A HA 0.328 4.671 4.320 0.037 0.000 0.215 542 A C 0.914 178.467 177.584 -0.052 0.000 1.813 542 A CA 0.309 52.310 52.037 -0.061 0.000 1.373 542 A CB -0.561 18.398 19.000 -0.068 0.000 1.304 542 A HN 0.493 nan 8.150 nan 0.000 0.391 543 T N 0.000 114.515 114.554 -0.064 0.000 3.816 543 T HA 0.000 4.372 4.350 0.037 0.000 0.228 543 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 543 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658