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 2whp_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DXXXPDWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSA 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 0.000 176.622 176.600 0.037 0.000 1.382 4 E CA 0.000 56.417 56.400 0.028 0.000 0.976 4 E CB 0.000 29.716 29.700 0.027 0.000 0.812 5 D N 3.235 123.664 120.400 0.049 0.000 2.363 5 D HA 0.202 4.869 4.640 0.045 0.000 0.263 5 D C -1.392 174.947 176.300 0.064 0.000 1.258 5 D CA -1.938 52.104 54.000 0.071 0.000 0.907 5 D CB 1.732 42.600 40.800 0.113 0.000 1.107 5 D HN 0.189 nan 8.370 nan 0.000 0.495 6 P HA -0.099 nan 4.420 nan 0.000 0.223 6 P C 1.190 178.502 177.300 0.021 0.000 1.151 6 P CA 0.647 63.763 63.100 0.026 0.000 0.787 6 P CB 0.328 32.032 31.700 0.005 0.000 0.788 7 Q N -0.694 119.102 119.800 -0.007 0.000 2.291 7 Q HA -0.024 4.343 4.340 0.045 0.000 0.206 7 Q C 1.708 177.783 176.000 0.125 0.000 0.976 7 Q CA 1.020 56.796 55.803 -0.046 0.000 0.875 7 Q CB -0.415 28.124 28.738 -0.333 0.000 0.927 7 Q HN 0.399 nan 8.270 nan 0.000 0.450 8 L N -0.214 121.095 121.223 0.144 0.000 2.640 8 L HA 0.224 4.591 4.340 0.045 0.000 0.230 8 L C 0.433 177.467 176.870 0.273 0.000 1.123 8 L CA -0.118 54.825 54.840 0.171 0.000 0.900 8 L CB 0.377 42.462 42.059 0.043 0.000 1.146 8 L HN 0.007 nan 8.230 nan 0.000 0.484 9 L N 0.923 122.266 121.223 0.201 0.000 2.287 9 L HA 0.530 4.897 4.340 0.045 0.000 0.287 9 L C -0.964 175.955 176.870 0.082 0.000 1.022 9 L CA -0.380 54.553 54.840 0.157 0.000 0.814 9 L CB 2.103 44.212 42.059 0.083 0.000 1.217 9 L HN -0.211 nan 8.230 nan 0.000 0.420 10 V N 4.130 124.069 119.914 0.041 0.000 2.841 10 V HA 0.468 4.615 4.120 0.045 0.000 0.310 10 V C -0.449 175.579 176.094 -0.111 0.000 1.090 10 V CA -0.796 61.390 62.300 -0.189 0.000 0.930 10 V CB 2.463 33.914 31.823 -0.621 0.000 1.014 10 V HN 0.700 nan 8.190 nan 0.000 0.425 11 R N 3.160 123.568 120.500 -0.153 0.000 2.338 11 R HA 0.786 5.153 4.340 0.045 0.000 0.317 11 R C -0.812 175.408 176.300 -0.133 0.000 0.968 11 R CA -0.329 55.718 56.100 -0.087 0.000 0.849 11 R CB 1.618 31.870 30.300 -0.079 0.000 1.128 11 R HN 0.697 nan 8.270 nan 0.000 0.448 12 V N 1.565 121.454 119.914 -0.041 0.000 3.166 12 V HA 0.466 4.613 4.120 0.045 0.000 0.317 12 V C 1.273 177.302 176.094 -0.109 0.000 1.136 12 V CA -0.994 61.272 62.300 -0.057 0.000 1.035 12 V CB 1.838 33.746 31.823 0.143 0.000 1.110 12 V HN 0.854 nan 8.190 nan 0.000 0.450 13 R N 1.256 121.670 120.500 -0.143 0.000 2.133 13 R HA -0.133 4.234 4.340 0.045 0.000 0.247 13 R C 2.061 178.223 176.300 -0.230 0.000 1.151 13 R CA 1.987 57.993 56.100 -0.156 0.000 0.971 13 R CB -0.826 29.394 30.300 -0.132 0.000 0.866 13 R HN 1.003 nan 8.270 nan 0.000 0.447 14 G N -0.453 108.169 108.800 -0.296 0.000 2.598 14 G HA2 0.215 4.202 3.960 0.045 0.000 0.215 14 G HA3 0.215 4.202 3.960 0.045 0.000 0.215 14 G C 0.508 174.535 174.900 -1.455 0.000 1.131 14 G CA 0.638 45.282 45.100 -0.760 0.000 0.785 14 G HN 0.634 nan 8.290 nan 0.000 0.539 15 G N -1.403 106.841 108.800 -0.926 0.000 2.320 15 G HA2 0.137 4.124 3.960 0.045 0.000 0.274 15 G HA3 0.137 4.124 3.960 0.045 0.000 0.274 15 G C -1.229 173.657 174.900 -0.022 0.000 1.324 15 G CA -0.869 43.791 45.100 -0.733 0.000 0.957 15 G HN 0.235 nan 8.290 nan 0.000 0.481 16 Q N -0.382 119.582 119.800 0.273 0.000 2.230 16 Q HA 0.699 5.066 4.340 0.045 0.000 0.248 16 Q C -0.547 175.756 176.000 0.505 0.000 0.915 16 Q CA -0.304 55.698 55.803 0.332 0.000 0.900 16 Q CB 1.979 30.837 28.738 0.201 0.000 1.229 16 Q HN 0.454 nan 8.270 nan 0.000 0.439 17 L N 1.449 122.878 121.223 0.343 0.000 2.370 17 L HA 0.615 4.982 4.340 0.045 0.000 0.266 17 L C -0.470 176.575 176.870 0.291 0.000 1.002 17 L CA -0.807 54.227 54.840 0.323 0.000 0.818 17 L CB 2.304 44.599 42.059 0.394 0.000 1.325 17 L HN 0.452 nan 8.230 nan 0.000 0.418 18 R N 0.776 121.417 120.500 0.234 0.000 2.409 18 R HA 0.647 5.014 4.340 0.045 0.000 0.313 18 R C -0.277 176.081 176.300 0.096 0.000 0.953 18 R CA -0.316 55.893 56.100 0.182 0.000 0.849 18 R CB 1.626 31.976 30.300 0.082 0.000 1.171 18 R HN 0.786 nan 8.270 nan 0.000 0.458 19 G N 3.347 112.111 108.800 -0.060 0.000 2.531 19 G HA2 0.457 4.444 3.960 0.045 0.000 0.281 19 G HA3 0.457 4.444 3.960 0.045 0.000 0.281 19 G C -0.944 173.710 174.900 -0.410 0.000 1.382 19 G CA -0.746 43.987 45.100 -0.612 0.000 1.045 19 G HN 0.619 nan 8.290 nan 0.000 0.533 20 I N -1.160 119.138 120.570 -0.452 0.000 2.730 20 I HA 0.558 4.755 4.170 0.045 0.000 0.298 20 I C -0.205 175.782 176.117 -0.216 0.000 1.089 20 I CA -1.179 59.965 61.300 -0.260 0.000 1.041 20 I CB 2.188 40.053 38.000 -0.226 0.000 1.235 20 I HN 0.435 nan 8.210 nan 0.000 0.423 21 R N 7.252 127.670 120.500 -0.136 0.000 2.234 21 R HA 0.550 4.917 4.340 0.045 0.000 0.324 21 R C -1.607 174.610 176.300 -0.139 0.000 1.054 21 R CA -0.324 55.697 56.100 -0.133 0.000 0.912 21 R CB 0.616 30.805 30.300 -0.184 0.000 1.030 21 R HN 0.652 nan 8.270 nan 0.000 0.455 22 L N 3.547 124.703 121.223 -0.112 0.000 2.333 22 L HA 0.463 4.831 4.340 0.045 0.000 0.269 22 L C -0.286 176.523 176.870 -0.102 0.000 1.010 22 L CA -0.958 53.828 54.840 -0.088 0.000 0.818 22 L CB 1.991 44.031 42.059 -0.032 0.000 1.306 22 L HN 0.529 nan 8.230 nan 0.000 0.430 23 K N 1.888 122.230 120.400 -0.097 0.000 2.253 23 K HA 0.670 5.017 4.320 0.045 0.000 0.277 23 K C -0.787 175.750 176.600 -0.105 0.000 1.053 23 K CA -0.346 55.885 56.287 -0.094 0.000 0.892 23 K CB 1.451 33.907 32.500 -0.073 0.000 1.102 23 K HN 0.683 nan 8.250 nan 0.000 0.469 24 A N 5.084 127.841 122.820 -0.105 0.000 2.281 24 A HA 0.477 4.824 4.320 0.045 0.000 0.329 24 A C -1.989 175.594 177.584 -0.002 0.000 1.122 24 A CA -1.789 50.179 52.037 -0.116 0.000 0.850 24 A CB 0.533 19.446 19.000 -0.145 0.000 1.207 24 A HN 0.693 nan 8.150 nan 0.000 0.495 25 P HA -0.074 nan 4.420 nan 0.000 0.218 25 P C 1.277 178.606 177.300 0.048 0.000 1.148 25 P CA 1.882 65.031 63.100 0.082 0.000 0.822 25 P CB 0.183 31.959 31.700 0.125 0.000 0.784 26 G N -2.007 106.824 108.800 0.052 0.000 2.939 26 G HA2 0.430 4.417 3.960 0.045 0.000 0.210 26 G HA3 0.430 4.417 3.960 0.045 0.000 0.210 26 G C 0.565 175.479 174.900 0.022 0.000 1.160 26 G CA 0.516 45.638 45.100 0.037 0.000 0.770 26 G HN 0.603 nan 8.290 nan 0.000 0.543 27 G N -0.962 107.842 108.800 0.007 0.000 2.337 27 G HA2 0.407 4.394 3.960 0.045 0.000 0.298 27 G HA3 0.407 4.394 3.960 0.045 0.000 0.298 27 G C -3.496 171.382 174.900 -0.037 0.000 1.335 27 G CA -0.816 44.280 45.100 -0.008 0.000 0.875 27 G HN 0.011 nan 8.290 nan 0.000 0.579 28 P HA 0.584 nan 4.420 nan 0.000 0.279 28 P C -0.236 177.048 177.300 -0.027 0.000 1.252 28 P CA -0.580 62.426 63.100 -0.156 0.000 0.811 28 P CB 1.626 33.056 31.700 -0.450 0.000 1.035 29 V N -2.372 117.540 119.914 -0.004 0.000 3.007 29 V HA 0.641 4.789 4.120 0.045 0.000 0.311 29 V C -0.631 175.567 176.094 0.174 0.000 1.120 29 V CA -0.825 61.565 62.300 0.150 0.000 0.980 29 V CB 1.915 33.826 31.823 0.147 0.000 1.033 29 V HN 0.375 nan 8.190 nan 0.000 0.429 30 S N 2.440 118.309 115.700 0.282 0.000 2.489 30 S HA 0.810 5.307 4.470 0.045 0.000 0.277 30 S C 0.155 174.769 174.600 0.022 0.000 1.230 30 S CA 0.088 58.389 58.200 0.167 0.000 1.053 30 S CB 1.059 64.448 63.200 0.316 0.000 0.955 30 S HN 1.579 nan 8.310 nan 0.000 0.488 31 A N 2.989 125.635 122.820 -0.289 0.000 2.342 31 A HA 0.811 5.159 4.320 0.045 0.000 0.323 31 A C -1.068 176.083 177.584 -0.721 0.000 1.125 31 A CA -0.662 51.100 52.037 -0.459 0.000 0.785 31 A CB 0.414 19.125 19.000 -0.480 0.000 1.221 31 A HN 0.680 nan 8.150 nan 0.000 0.463 32 F N 2.704 122.480 119.950 -0.289 0.000 2.434 32 F HA 0.454 5.008 4.527 0.045 0.000 0.367 32 F C -0.259 175.350 175.800 -0.319 0.000 1.093 32 F CA -0.326 57.575 58.000 -0.165 0.000 1.085 32 F CB 1.230 40.282 39.000 0.086 0.000 1.322 32 F HN 0.333 nan 8.300 nan 0.000 0.452 33 L N 2.181 123.242 121.223 -0.270 0.000 2.317 33 L HA 0.725 5.092 4.340 0.045 0.000 0.281 33 L C 0.896 177.655 176.870 -0.184 0.000 1.024 33 L CA -0.990 53.633 54.840 -0.361 0.000 0.810 33 L CB 1.692 43.345 42.059 -0.676 0.000 1.240 33 L HN 0.823 nan 8.230 nan 0.000 0.427 34 G N 3.119 111.871 108.800 -0.080 0.000 2.212 34 G HA2 -0.248 3.739 3.960 0.045 0.000 0.255 34 G HA3 -0.248 3.739 3.960 0.045 0.000 0.255 34 G C -0.162 174.765 174.900 0.046 0.000 1.062 34 G CA -0.400 44.666 45.100 -0.057 0.000 0.815 34 G HN 0.489 nan 8.290 nan 0.000 0.497 35 I N 1.831 122.442 120.570 0.068 0.000 2.452 35 I HA 0.238 4.435 4.170 0.045 0.000 0.287 35 I C -1.583 174.587 176.117 0.088 0.000 1.079 35 I CA -2.126 59.196 61.300 0.038 0.000 1.387 35 I CB 0.974 38.934 38.000 -0.066 0.000 1.404 35 I HN -0.052 nan 8.210 nan 0.000 0.522 36 P HA 0.042 nan 4.420 nan 0.000 0.276 36 P C -0.182 177.050 177.300 -0.112 0.000 1.235 36 P CA 0.035 63.000 63.100 -0.225 0.000 0.772 36 P CB 0.304 31.891 31.700 -0.189 0.000 0.871 37 F N 0.933 120.718 119.950 -0.274 0.000 2.706 37 F HA 0.746 5.300 4.527 0.045 0.000 0.313 37 F C 0.066 175.848 175.800 -0.029 0.000 1.096 37 F CA -0.738 57.165 58.000 -0.162 0.000 1.219 37 F CB 0.150 38.951 39.000 -0.331 0.000 1.051 37 F HN 0.302 nan 8.300 nan 0.000 0.568 38 A N 0.174 122.693 122.820 -0.502 0.000 2.556 38 A HA 0.575 4.922 4.320 0.045 0.000 0.294 38 A C -0.788 176.632 177.584 -0.273 0.000 1.091 38 A CA -0.786 51.062 52.037 -0.316 0.000 0.704 38 A CB 0.967 19.707 19.000 -0.434 0.000 1.300 38 A HN 0.075 nan 8.150 nan 0.000 0.406 39 E N 1.413 121.535 120.200 -0.131 0.000 2.465 39 E HA 0.163 4.541 4.350 0.045 0.000 0.260 39 E C -2.278 174.222 176.600 -0.166 0.000 0.980 39 E CA -1.099 55.236 56.400 -0.108 0.000 0.927 39 E CB -0.168 29.506 29.700 -0.043 0.000 0.934 39 E HN 0.240 nan 8.360 nan 0.000 0.459 40 P HA -0.025 nan 4.420 nan 0.000 0.260 40 P C -2.222 175.008 177.300 -0.116 0.000 1.172 40 P CA -0.617 62.391 63.100 -0.154 0.000 0.760 40 P CB -0.032 31.614 31.700 -0.089 0.000 0.773 41 P HA 0.039 nan 4.420 nan 0.000 0.214 41 P C -0.397 176.840 177.300 -0.104 0.000 1.826 41 P CA -0.014 63.025 63.100 -0.101 0.000 0.977 41 P CB 0.012 31.652 31.700 -0.099 0.000 1.930 42 V N -2.713 117.148 119.914 -0.089 0.000 3.096 42 V HA 0.905 5.052 4.120 0.045 0.000 0.319 42 V C 0.977 177.028 176.094 -0.070 0.000 1.103 42 V CA 0.070 62.315 62.300 -0.092 0.000 1.016 42 V CB 0.845 32.621 31.823 -0.078 0.000 1.090 42 V HN 0.541 nan 8.190 nan 0.000 0.449 43 G N 2.374 111.133 108.800 -0.068 0.000 2.596 43 G HA2 -0.349 3.638 3.960 0.045 0.000 0.304 43 G HA3 -0.349 3.638 3.960 0.045 0.000 0.304 43 G C 1.266 176.144 174.900 -0.036 0.000 1.189 43 G CA 1.773 46.848 45.100 -0.042 0.000 0.986 43 G HN 2.353 nan 8.290 nan 0.000 0.548 44 S N 0.457 116.148 115.700 -0.015 0.000 2.474 44 S HA 0.023 4.520 4.470 0.045 0.000 0.235 44 S C 1.972 176.573 174.600 0.001 0.000 0.997 44 S CA 1.588 59.791 58.200 0.005 0.000 0.949 44 S CB -0.104 63.103 63.200 0.012 0.000 0.766 44 S HN 0.717 nan 8.310 nan 0.000 0.517 45 R N 0.857 121.342 120.500 -0.024 0.000 2.310 45 R HA 0.222 4.589 4.340 0.045 0.000 0.202 45 R C 0.973 177.235 176.300 -0.063 0.000 0.933 45 R CA -0.163 55.921 56.100 -0.027 0.000 1.054 45 R CB -0.082 30.198 30.300 -0.034 0.000 0.985 45 R HN 0.403 nan 8.270 nan 0.000 0.489 46 R N 0.859 121.280 120.500 -0.132 0.000 2.585 46 R HA -0.135 4.232 4.340 0.045 0.000 0.275 46 R C -0.373 175.755 176.300 -0.288 0.000 1.018 46 R CA 0.601 56.497 56.100 -0.340 0.000 1.072 46 R CB 0.140 30.113 30.300 -0.545 0.000 0.953 46 R HN 0.116 nan 8.270 nan 0.000 0.419 47 F N -0.791 119.173 119.950 0.024 0.000 2.590 47 F HA -0.326 4.228 4.527 0.045 0.000 0.471 47 F C 0.209 176.000 175.800 -0.015 0.000 0.551 47 F CA 0.803 58.794 58.000 -0.015 0.000 1.228 47 F CB -1.663 37.319 39.000 -0.030 0.000 1.862 47 F HN 0.471 nan 8.300 nan 0.000 0.271 48 M N 1.517 121.185 119.600 0.114 0.000 2.291 48 M HA 0.389 4.897 4.480 0.045 0.000 0.324 48 M C -1.947 174.381 176.300 0.047 0.000 1.148 48 M CA -1.485 53.861 55.300 0.078 0.000 1.104 48 M CB 0.418 33.051 32.600 0.056 0.000 1.483 48 M HN -0.356 nan 8.290 nan 0.000 0.467 49 P HA 0.039 nan 4.420 nan 0.000 0.267 49 P C -2.422 174.905 177.300 0.044 0.000 1.201 49 P CA -0.454 62.678 63.100 0.053 0.000 0.775 49 P CB -0.524 31.216 31.700 0.068 0.000 0.854 50 P HA 0.175 nan 4.420 nan 0.000 0.274 50 P C -0.640 176.692 177.300 0.053 0.000 1.231 50 P CA 0.076 63.200 63.100 0.040 0.000 0.790 50 P CB 1.020 32.767 31.700 0.078 0.000 0.951 51 E N 1.720 121.938 120.200 0.029 0.000 2.244 51 E HA 0.421 4.799 4.350 0.045 0.000 0.266 51 E C -2.400 174.232 176.600 0.053 0.000 0.914 51 E CA -2.398 54.029 56.400 0.045 0.000 0.794 51 E CB 0.995 30.712 29.700 0.029 0.000 1.210 51 E HN 0.325 nan 8.360 nan 0.000 0.414 52 P HA -0.025 nan 4.420 nan 0.000 0.268 52 P C -0.829 176.534 177.300 0.104 0.000 1.205 52 P CA -0.208 62.968 63.100 0.127 0.000 0.771 52 P CB 0.431 32.207 31.700 0.128 0.000 0.858 53 K N 3.773 124.256 120.400 0.139 0.000 2.412 53 K HA 0.048 4.396 4.320 0.045 0.000 0.281 53 K C 0.010 176.717 176.600 0.178 0.000 1.027 53 K CA 0.324 56.698 56.287 0.145 0.000 0.989 53 K CB 0.155 32.782 32.500 0.212 0.000 0.935 53 K HN 0.271 nan 8.250 nan 0.000 0.475 54 R N 4.999 125.587 120.500 0.147 0.000 2.643 54 R HA 0.144 4.511 4.340 0.045 0.000 0.270 54 R C -2.012 174.388 176.300 0.167 0.000 1.061 54 R CA -1.610 54.563 56.100 0.122 0.000 1.107 54 R CB -0.001 30.356 30.300 0.095 0.000 0.999 54 R HN 0.579 nan 8.270 nan 0.000 0.460 55 P HA -0.098 nan 4.420 nan 0.000 0.266 55 P C -1.173 176.122 177.300 -0.007 0.000 1.193 55 P CA 0.232 63.235 63.100 -0.162 0.000 0.770 55 P CB 0.299 31.894 31.700 -0.174 0.000 0.836 56 W N 1.016 122.351 121.300 0.059 0.000 2.820 56 W HA 0.702 5.389 4.660 0.045 0.000 0.350 56 W C -0.524 176.022 176.519 0.044 0.000 1.116 56 W CA -0.971 56.405 57.345 0.052 0.000 1.146 56 W CB -0.025 29.474 29.460 0.064 0.000 1.433 56 W HN 0.374 nan 8.180 nan 0.000 0.561 57 S N 1.009 116.883 115.700 0.291 0.000 2.693 57 S HA 0.792 5.289 4.470 0.045 0.000 0.276 57 S C 0.711 175.470 174.600 0.266 0.000 1.192 57 S CA -0.003 58.306 58.200 0.181 0.000 0.994 57 S CB 0.768 64.039 63.200 0.117 0.000 1.012 57 S HN 2.058 nan 8.310 nan 0.000 0.550 58 G N 0.027 108.927 108.800 0.167 0.000 2.581 58 G HA2 -0.202 3.785 3.960 0.045 0.000 0.291 58 G HA3 -0.202 3.785 3.960 0.045 0.000 0.291 58 G C -0.487 174.553 174.900 0.232 0.000 1.277 58 G CA -0.004 45.192 45.100 0.160 0.000 0.959 58 G HN 1.699 nan 8.290 nan 0.000 0.554 59 V N 0.906 120.929 119.914 0.181 0.000 2.357 59 V HA 0.538 4.685 4.120 0.045 0.000 0.284 59 V C 0.722 176.892 176.094 0.126 0.000 1.018 59 V CA -0.356 62.057 62.300 0.187 0.000 0.841 59 V CB 1.277 33.173 31.823 0.122 0.000 0.991 59 V HN 0.781 nan 8.190 nan 0.000 0.437 60 L N 3.888 125.171 121.223 0.099 0.000 2.360 60 L HA 0.372 4.739 4.340 0.045 0.000 0.276 60 L C 0.360 177.190 176.870 -0.068 0.000 1.121 60 L CA -0.193 54.559 54.840 -0.146 0.000 0.845 60 L CB 0.913 42.588 42.059 -0.640 0.000 1.143 60 L HN 0.763 nan 8.230 nan 0.000 0.452 61 D N 4.656 125.007 120.400 -0.081 0.000 2.358 61 D HA 0.276 4.943 4.640 0.045 0.000 0.258 61 D C -0.144 176.104 176.300 -0.086 0.000 1.223 61 D CA 0.202 54.164 54.000 -0.063 0.000 0.886 61 D CB 1.175 41.932 40.800 -0.071 0.000 1.120 61 D HN 0.581 nan 8.370 nan 0.000 0.482 62 A N 3.295 126.086 122.820 -0.048 0.000 3.201 62 A HA 0.324 4.671 4.320 0.045 0.000 0.312 62 A C 0.760 178.255 177.584 -0.147 0.000 1.011 62 A CA -0.321 51.680 52.037 -0.061 0.000 0.987 62 A CB -0.143 18.906 19.000 0.082 0.000 1.060 62 A HN 0.571 nan 8.150 nan 0.000 0.505 63 T N -3.736 110.709 114.554 -0.182 0.000 3.040 63 T HA 0.358 4.735 4.350 0.045 0.000 0.266 63 T C 0.405 174.943 174.700 -0.269 0.000 1.005 63 T CA 0.491 62.454 62.100 -0.229 0.000 0.906 63 T CB 0.262 69.029 68.868 -0.168 0.000 1.082 63 T HN 0.453 nan 8.240 nan 0.000 0.531 64 T N 0.683 115.072 114.554 -0.275 0.000 2.923 64 T HA 0.583 4.960 4.350 0.045 0.000 0.311 64 T C -1.533 173.007 174.700 -0.267 0.000 1.183 64 T CA -0.749 61.185 62.100 -0.277 0.000 1.020 64 T CB 0.677 69.449 68.868 -0.161 0.000 1.165 64 T HN 0.084 nan 8.240 nan 0.000 0.482 65 F N 3.391 123.267 119.950 -0.123 0.000 2.572 65 F HA 0.282 4.836 4.527 0.046 0.000 0.370 65 F C 1.486 177.181 175.800 -0.177 0.000 1.103 65 F CA 0.029 57.956 58.000 -0.121 0.000 1.286 65 F CB 0.537 39.494 39.000 -0.072 0.000 1.105 65 F HN 0.431 nan 8.300 nan 0.000 0.583 66 Q N 1.681 121.465 119.800 -0.025 0.000 2.272 66 Q HA 0.172 4.539 4.340 0.045 0.000 0.192 66 Q C 0.040 175.961 176.000 -0.133 0.000 1.059 66 Q CA -0.528 55.113 55.803 -0.269 0.000 1.084 66 Q CB 0.452 28.723 28.738 -0.778 0.000 1.139 66 Q HN 0.525 nan 8.270 nan 0.000 0.593 67 N N -0.530 118.069 118.700 -0.168 0.000 2.381 67 N HA 0.057 4.824 4.740 0.045 0.000 0.241 67 N C -0.634 174.854 175.510 -0.036 0.000 1.279 67 N CA 0.023 53.025 53.050 -0.080 0.000 0.896 67 N CB 0.407 38.860 38.487 -0.056 0.000 1.118 67 N HN 0.153 nan 8.380 nan 0.000 0.438 68 V N 1.277 121.148 119.914 -0.071 0.000 2.481 68 V HA 0.128 4.275 4.120 0.045 0.000 0.286 68 V C 0.459 176.504 176.094 -0.081 0.000 1.042 68 V CA -0.849 61.395 62.300 -0.094 0.000 0.928 68 V CB 1.154 32.883 31.823 -0.157 0.000 0.986 68 V HN 0.712 nan 8.190 nan 0.000 0.462 69 c N 4.564 123.134 118.600 -0.051 0.000 2.634 69 c HA 0.047 4.644 4.570 0.045 0.000 0.417 69 c C 0.523 174.567 174.090 -0.075 0.000 1.334 69 c CA -0.441 55.867 56.329 -0.036 0.000 1.829 69 c CB -1.061 41.458 42.510 0.015 0.000 2.665 69 c HN 0.753 nan 8.230 nan 0.000 0.614 70 Y N 4.223 124.385 120.300 -0.230 0.000 2.717 70 Y HA 0.257 4.835 4.550 0.046 0.000 0.330 70 Y C 0.752 176.649 175.900 -0.006 0.000 1.217 70 Y CA 1.062 59.011 58.100 -0.252 0.000 1.506 70 Y CB 0.150 38.236 38.460 -0.625 0.000 1.268 70 Y HN 0.759 nan 8.280 nan 0.000 0.561 71 Q N 4.217 123.927 119.800 -0.149 0.000 2.633 71 Q HA 0.203 4.570 4.340 0.045 0.000 0.289 71 Q C -1.824 174.240 176.000 0.106 0.000 0.940 71 Q CA -1.203 54.691 55.803 0.151 0.000 0.785 71 Q CB 1.184 29.983 28.738 0.102 0.000 1.467 71 Q HN 0.678 nan 8.270 nan 0.000 0.401 72 Y N 1.109 121.499 120.300 0.151 0.000 2.597 72 Y HA 0.334 4.911 4.550 0.045 0.000 0.336 72 Y C -0.983 174.962 175.900 0.074 0.000 1.216 72 Y CA 0.327 58.491 58.100 0.107 0.000 1.463 72 Y CB 0.872 39.374 38.460 0.071 0.000 1.303 72 Y HN 0.434 nan 8.280 nan 0.000 0.576 73 V N 6.651 126.127 119.914 -0.731 0.000 2.448 73 V HA 0.119 4.266 4.120 0.045 0.000 0.295 73 V C -0.591 175.038 176.094 -0.775 0.000 1.025 73 V CA -0.991 60.992 62.300 -0.528 0.000 0.859 73 V CB 1.495 33.138 31.823 -0.300 0.000 0.988 73 V HN 0.775 nan 8.190 nan 0.000 0.431 74 D N 3.364 123.579 120.400 -0.309 0.000 2.390 74 D HA 0.217 4.884 4.640 0.045 0.000 0.249 74 D C 0.970 177.298 176.300 0.046 0.000 1.144 74 D CA 0.378 54.375 54.000 -0.005 0.000 0.880 74 D CB 1.392 42.369 40.800 0.295 0.000 1.182 74 D HN 0.719 nan 8.370 nan 0.000 0.451 75 T N 1.262 115.879 114.554 0.106 0.000 3.170 75 T HA 0.037 4.414 4.350 0.045 0.000 0.288 75 T C 1.533 176.281 174.700 0.080 0.000 0.992 75 T CA -0.462 61.688 62.100 0.082 0.000 0.909 75 T CB -0.116 68.783 68.868 0.051 0.000 1.133 75 T HN 0.265 nan 8.240 nan 0.000 0.530 76 L N 0.943 122.226 121.223 0.100 0.000 2.012 76 L HA 0.144 4.511 4.340 0.045 0.000 0.210 76 L C -0.219 176.409 176.870 -0.403 0.000 1.073 76 L CA 1.640 56.383 54.840 -0.161 0.000 0.748 76 L CB -0.533 41.375 42.059 -0.251 0.000 0.891 76 L HN 0.411 nan 8.230 nan 0.000 0.431 77 Y N 0.034 120.383 120.300 0.081 0.000 2.787 77 Y HA 0.438 5.015 4.550 0.045 0.000 0.352 77 Y C -2.206 173.747 175.900 0.089 0.000 1.027 77 Y CA -3.296 54.824 58.100 0.034 0.000 1.219 77 Y CB -0.060 38.369 38.460 -0.052 0.000 1.110 77 Y HN 0.066 nan 8.280 nan 0.000 0.614 78 P HA 0.053 nan 4.420 nan 0.000 0.258 78 P C 1.008 178.376 177.300 0.112 0.000 1.187 78 P CA 1.602 64.767 63.100 0.109 0.000 0.767 78 P CB 0.494 32.231 31.700 0.062 0.000 0.770 79 G N 2.704 111.560 108.800 0.093 0.000 2.179 79 G HA2 -0.294 3.693 3.960 0.045 0.000 0.260 79 G HA3 -0.294 3.693 3.960 0.045 0.000 0.260 79 G C -0.016 174.934 174.900 0.083 0.000 0.977 79 G CA -0.428 44.707 45.100 0.058 0.000 0.641 79 G HN 0.537 nan 8.290 nan 0.000 0.533 80 F N 1.719 121.638 119.950 -0.050 0.000 2.456 80 F HA 0.631 5.185 4.527 0.045 0.000 0.358 80 F C 1.308 177.016 175.800 -0.155 0.000 1.095 80 F CA -0.666 57.252 58.000 -0.137 0.000 1.216 80 F CB 1.376 40.268 39.000 -0.181 0.000 1.125 80 F HN 0.052 nan 8.300 nan 0.000 0.549 81 E N 3.918 123.701 120.200 -0.696 0.000 2.110 81 E HA -0.057 4.320 4.350 0.045 0.000 0.193 81 E C 2.258 178.355 176.600 -0.839 0.000 0.988 81 E CA 1.788 57.801 56.400 -0.645 0.000 0.804 81 E CB -0.620 28.782 29.700 -0.498 0.000 0.745 81 E HN 0.908 nan 8.360 nan 0.000 0.458 82 G N -0.761 106.988 108.800 -1.752 0.000 2.475 82 G HA2 -0.315 3.672 3.960 0.045 0.000 0.220 82 G HA3 -0.315 3.672 3.960 0.045 0.000 0.220 82 G C 1.684 176.559 174.900 -0.042 0.000 1.125 82 G CA 1.881 46.248 45.100 -1.221 0.000 0.755 82 G HN 0.500 nan 8.290 nan 0.000 0.565 83 T N -2.438 112.098 114.554 -0.030 0.000 3.042 83 T HA 0.160 4.538 4.350 0.045 0.000 0.245 83 T C 1.910 176.781 174.700 0.286 0.000 1.029 83 T CA 0.755 63.158 62.100 0.505 0.000 1.120 83 T CB 0.094 69.329 68.868 0.611 0.000 0.917 83 T HN 0.121 nan 8.240 nan 0.000 0.467 84 E N 2.277 122.492 120.200 0.026 0.000 2.150 84 E HA -0.074 4.303 4.350 0.045 0.000 0.193 84 E C 2.217 178.724 176.600 -0.154 0.000 0.985 84 E CA 1.320 57.694 56.400 -0.043 0.000 0.814 84 E CB -0.472 29.170 29.700 -0.098 0.000 0.752 84 E HN 0.806 nan 8.360 nan 0.000 0.466 85 M N -2.371 117.035 119.600 -0.324 0.000 2.446 85 M HA -0.054 4.454 4.480 0.045 0.000 0.263 85 M C 1.319 177.211 176.300 -0.681 0.000 1.066 85 M CA 1.338 56.294 55.300 -0.573 0.000 1.087 85 M CB -0.519 31.621 32.600 -0.766 0.000 1.406 85 M HN -0.006 nan 8.290 nan 0.000 0.459 86 W N 0.928 122.164 121.300 -0.106 0.000 3.114 86 W HA 0.257 4.944 4.660 0.045 0.000 0.279 86 W C 0.541 176.981 176.519 -0.133 0.000 1.277 86 W CA -0.933 56.337 57.345 -0.125 0.000 1.630 86 W CB -0.084 29.362 29.460 -0.023 0.000 1.087 86 W HN 0.108 nan 8.180 nan 0.000 0.637 87 N N 1.485 120.217 118.700 0.054 0.000 2.467 87 N HA 0.134 4.901 4.740 0.045 0.000 0.262 87 N C -2.424 173.022 175.510 -0.106 0.000 1.234 87 N CA -1.387 51.653 53.050 -0.016 0.000 0.952 87 N CB -0.114 38.359 38.487 -0.023 0.000 1.158 87 N HN -0.348 nan 8.380 nan 0.000 0.463 88 P HA 0.026 nan 4.420 nan 0.000 0.262 88 P C -0.019 177.185 177.300 -0.160 0.000 1.182 88 P CA 0.314 63.314 63.100 -0.166 0.000 0.761 88 P CB 0.083 31.680 31.700 -0.172 0.000 0.795 89 N N 1.371 119.962 118.700 -0.182 0.000 2.204 89 N HA 0.120 4.887 4.740 0.045 0.000 0.219 89 N C 0.245 175.676 175.510 -0.132 0.000 1.151 89 N CA -0.637 52.316 53.050 -0.162 0.000 0.867 89 N CB 0.443 38.813 38.487 -0.195 0.000 1.043 89 N HN 0.078 nan 8.380 nan 0.000 0.516 90 R N 0.400 120.822 120.500 -0.130 0.000 2.885 90 R HA 0.325 4.692 4.340 0.045 0.000 0.260 90 R C -0.483 175.756 176.300 -0.101 0.000 1.107 90 R CA -0.692 55.350 56.100 -0.097 0.000 0.978 90 R CB 0.491 30.742 30.300 -0.081 0.000 1.227 90 R HN 0.145 nan 8.270 nan 0.000 0.473 91 E N 1.504 121.654 120.200 -0.083 0.000 2.413 91 E HA 0.092 4.469 4.350 0.045 0.000 0.263 91 E C -0.014 176.529 176.600 -0.095 0.000 1.015 91 E CA 0.067 56.419 56.400 -0.080 0.000 0.916 91 E CB 0.523 30.189 29.700 -0.057 0.000 0.947 91 E HN 0.261 nan 8.360 nan 0.000 0.440 92 L N 1.767 122.920 121.223 -0.116 0.000 2.380 92 L HA 0.222 4.589 4.340 0.045 0.000 0.273 92 L C 0.682 177.550 176.870 -0.004 0.000 1.138 92 L CA 0.081 54.822 54.840 -0.166 0.000 0.832 92 L CB 0.851 42.658 42.059 -0.421 0.000 1.124 92 L HN 0.371 nan 8.230 nan 0.000 0.454 93 S N 0.851 116.568 115.700 0.030 0.000 2.543 93 S HA 0.194 4.691 4.470 0.045 0.000 0.274 93 S C 0.234 174.834 174.600 0.000 0.000 1.149 93 S CA -0.657 57.584 58.200 0.069 0.000 0.866 93 S CB 1.600 64.810 63.200 0.016 0.000 1.111 93 S HN 0.740 nan 8.310 nan 0.000 0.457 94 E N 0.936 121.077 120.200 -0.098 0.000 2.274 94 E HA -0.068 4.309 4.350 0.045 0.000 0.194 94 E C -0.280 176.256 176.600 -0.107 0.000 0.996 94 E CA 0.524 56.803 56.400 -0.203 0.000 0.840 94 E CB 0.097 29.618 29.700 -0.299 0.000 0.772 94 E HN 0.525 nan 8.360 nan 0.000 0.491 95 D N 0.450 120.823 120.400 -0.045 0.000 2.483 95 D HA -0.003 4.665 4.640 0.045 0.000 0.220 95 D C -0.020 176.360 176.300 0.132 0.000 1.173 95 D CA -0.341 53.665 54.000 0.011 0.000 0.964 95 D CB -0.050 40.770 40.800 0.033 0.000 1.046 95 D HN 0.136 nan 8.370 nan 0.000 0.517 96 c N 2.406 121.055 118.600 0.081 0.000 3.722 96 c HA 0.381 4.978 4.570 0.045 0.000 0.279 96 c C 0.543 174.706 174.090 0.121 0.000 1.819 96 c CA -0.714 55.731 56.329 0.194 0.000 1.744 96 c CB -1.319 41.238 42.510 0.078 0.000 3.247 96 c HN 0.434 nan 8.230 nan 0.000 0.549 97 L N 2.505 123.532 121.223 -0.326 0.000 2.387 97 L HA 0.430 4.797 4.340 0.045 0.000 0.267 97 L C -0.918 175.321 176.870 -1.051 0.000 1.197 97 L CA 0.378 54.812 54.840 -0.677 0.000 1.070 97 L CB -0.587 40.922 42.059 -0.916 0.000 1.349 97 L HN 0.399 nan 8.230 nan 0.000 0.422 98 Y N 1.893 122.156 120.300 -0.062 0.000 2.576 98 Y HA 0.664 5.242 4.550 0.045 0.000 0.346 98 Y C -0.073 176.029 175.900 0.336 0.000 1.018 98 Y CA -1.285 56.869 58.100 0.090 0.000 1.050 98 Y CB 1.974 40.435 38.460 0.002 0.000 1.280 98 Y HN 0.194 nan 8.280 nan 0.000 0.474 99 L N -0.342 121.068 121.223 0.312 0.000 2.283 99 L HA 0.770 5.137 4.340 0.045 0.000 0.259 99 L C -1.311 175.557 176.870 -0.003 0.000 1.027 99 L CA -1.274 53.624 54.840 0.096 0.000 0.828 99 L CB 1.638 43.573 42.059 -0.206 0.000 1.380 99 L HN 0.490 nan 8.230 nan 0.000 0.425 100 N N -0.033 118.662 118.700 -0.009 0.000 2.238 100 N HA 0.715 5.483 4.740 0.045 0.000 0.302 100 N C -1.546 173.859 175.510 -0.174 0.000 1.072 100 N CA -0.394 52.567 53.050 -0.148 0.000 0.792 100 N CB 2.877 41.285 38.487 -0.132 0.000 1.425 100 N HN 0.506 nan 8.380 nan 0.000 0.478 101 V N 1.529 121.271 119.914 -0.287 0.000 2.531 101 V HA 0.462 4.609 4.120 0.045 0.000 0.301 101 V C -0.764 175.266 176.094 -0.107 0.000 1.034 101 V CA -0.796 61.426 62.300 -0.131 0.000 0.865 101 V CB 2.192 33.801 31.823 -0.357 0.000 0.995 101 V HN 0.547 nan 8.190 nan 0.000 0.424 102 W N 2.915 124.311 121.300 0.161 0.000 2.573 102 W HA 0.682 5.369 4.660 0.046 0.000 0.326 102 W C 0.203 176.837 176.519 0.192 0.000 1.049 102 W CA -0.417 57.033 57.345 0.175 0.000 1.220 102 W CB 2.447 31.985 29.460 0.130 0.000 1.373 102 W HN 0.656 nan 8.180 nan 0.000 0.507 103 T N -0.034 114.785 114.554 0.442 0.000 2.901 103 T HA 0.528 4.905 4.350 0.045 0.000 0.293 103 T C -2.815 172.063 174.700 0.297 0.000 1.084 103 T CA -2.518 59.789 62.100 0.345 0.000 1.008 103 T CB 2.155 71.238 68.868 0.358 0.000 1.170 103 T HN -0.081 nan 8.240 nan 0.000 0.509 104 P HA 0.177 nan 4.420 nan 0.000 0.268 104 P C -1.560 175.880 177.300 0.234 0.000 1.208 104 P CA -0.093 63.126 63.100 0.199 0.000 0.777 104 P CB 0.058 31.844 31.700 0.143 0.000 0.875 105 Y N 3.763 124.122 120.300 0.100 0.000 2.326 105 Y HA 0.428 5.005 4.550 0.045 0.000 0.331 105 Y C -2.210 173.727 175.900 0.061 0.000 0.962 105 Y CA -2.596 55.555 58.100 0.085 0.000 1.167 105 Y CB 1.224 39.723 38.460 0.065 0.000 1.148 105 Y HN 0.349 nan 8.280 nan 0.000 0.463 106 P HA 0.150 nan 4.420 nan 0.000 0.274 106 P C -1.112 176.140 177.300 -0.080 0.000 1.256 106 P CA -0.509 62.411 63.100 -0.300 0.000 0.795 106 P CB 0.953 32.541 31.700 -0.187 0.000 1.038 107 R N 0.613 121.068 120.500 -0.075 0.000 2.594 107 R HA 0.334 4.702 4.340 0.045 0.000 0.272 107 R C -2.195 174.126 176.300 0.034 0.000 1.074 107 R CA -1.420 54.700 56.100 0.033 0.000 1.105 107 R CB -1.052 29.282 30.300 0.056 0.000 1.008 107 R HN 0.259 nan 8.270 nan 0.000 0.472 108 P HA -0.101 nan 4.420 nan 0.000 0.261 108 P C -0.241 177.076 177.300 0.028 0.000 1.173 108 P CA 0.590 63.721 63.100 0.052 0.000 0.760 108 P CB 0.778 32.519 31.700 0.068 0.000 0.783 109 A N 2.734 125.565 122.820 0.019 0.000 1.968 109 A HA 0.042 4.390 4.320 0.045 0.000 0.217 109 A C 0.915 178.504 177.584 0.008 0.000 1.169 109 A CA 1.350 53.392 52.037 0.008 0.000 0.638 109 A CB -0.465 18.538 19.000 0.006 0.000 0.812 109 A HN 0.613 nan 8.150 nan 0.000 0.446 110 S N -1.099 114.609 115.700 0.013 0.000 2.566 110 S HA 0.626 5.123 4.470 0.045 0.000 0.298 110 S C -3.231 171.379 174.600 0.017 0.000 1.083 110 S CA -1.906 56.300 58.200 0.010 0.000 0.978 110 S CB 1.316 64.519 63.200 0.005 0.000 1.073 110 S HN -0.037 nan 8.310 nan 0.000 0.491 111 P HA 0.127 nan 4.420 nan 0.000 0.258 111 P C -0.577 176.736 177.300 0.022 0.000 1.172 111 P CA 0.509 63.620 63.100 0.019 0.000 0.762 111 P CB -0.031 31.673 31.700 0.006 0.000 0.764 112 T N 5.750 120.328 114.554 0.041 0.000 2.867 112 T HA 0.382 4.760 4.350 0.045 0.000 0.282 112 T C -2.374 172.351 174.700 0.043 0.000 1.000 112 T CA -1.999 60.127 62.100 0.043 0.000 1.042 112 T CB 0.679 69.587 68.868 0.066 0.000 0.973 112 T HN 0.132 nan 8.240 nan 0.000 0.465 113 P HA 0.061 nan 4.420 nan 0.000 0.263 113 P C -0.854 176.483 177.300 0.061 0.000 1.168 113 P CA 0.002 63.116 63.100 0.024 0.000 0.759 113 P CB 0.286 31.985 31.700 -0.001 0.000 0.782 114 V N 5.256 125.222 119.914 0.086 0.000 2.483 114 V HA 0.361 4.508 4.120 0.045 0.000 0.295 114 V C 0.362 176.540 176.094 0.141 0.000 1.035 114 V CA -0.506 61.870 62.300 0.127 0.000 0.896 114 V CB 1.391 33.302 31.823 0.148 0.000 0.986 114 V HN 0.340 nan 8.190 nan 0.000 0.447 115 L N 5.427 126.752 121.223 0.170 0.000 2.322 115 L HA 0.613 4.980 4.340 0.045 0.000 0.281 115 L C -0.669 176.445 176.870 0.407 0.000 1.014 115 L CA -0.265 54.703 54.840 0.213 0.000 0.815 115 L CB 1.774 43.853 42.059 0.032 0.000 1.247 115 L HN 0.486 nan 8.230 nan 0.000 0.421 116 I N 2.723 123.572 120.570 0.464 0.000 2.389 116 I HA 0.229 4.426 4.170 0.045 0.000 0.288 116 I C -0.817 175.570 176.117 0.450 0.000 0.999 116 I CA -0.475 61.062 61.300 0.396 0.000 1.129 116 I CB 1.551 39.659 38.000 0.180 0.000 1.288 116 I HN 0.635 nan 8.210 nan 0.000 0.444 117 W N 8.461 129.847 121.300 0.143 0.000 2.417 117 W HA 0.593 5.280 4.660 0.045 0.000 0.317 117 W C -1.590 174.820 176.519 -0.181 0.000 1.121 117 W CA -0.622 56.584 57.345 -0.232 0.000 1.208 117 W CB 1.353 30.698 29.460 -0.191 0.000 1.253 117 W HN 0.355 nan 8.180 nan 0.000 0.533 118 I N 8.922 128.754 120.570 -1.230 0.000 2.420 118 I HA 0.068 4.265 4.170 0.045 0.000 0.282 118 I C -0.283 175.069 176.117 -1.275 0.000 1.019 118 I CA -1.077 59.650 61.300 -0.955 0.000 1.130 118 I CB 0.714 38.328 38.000 -0.643 0.000 1.262 118 I HN 0.302 nan 8.210 nan 0.000 0.454 119 Y N 4.459 124.341 120.300 -0.697 0.000 2.511 119 Y HA 0.633 5.210 4.550 0.045 0.000 0.347 119 Y C 0.841 176.581 175.900 -0.266 0.000 1.257 119 Y CA -0.618 57.204 58.100 -0.464 0.000 1.469 119 Y CB -0.092 38.304 38.460 -0.106 0.000 1.353 119 Y HN 0.502 nan 8.280 nan 0.000 0.617 120 G N -1.077 107.745 108.800 0.037 0.000 2.702 120 G HA2 0.490 4.477 3.960 0.045 0.000 0.254 120 G HA3 0.490 4.477 3.960 0.045 0.000 0.254 120 G C 0.330 175.156 174.900 -0.124 0.000 1.380 120 G CA -0.947 44.080 45.100 -0.122 0.000 1.042 120 G HN 1.725 nan 8.290 nan 0.000 0.557 121 G N -2.780 105.770 108.800 -0.417 0.000 2.157 121 G HA2 0.383 4.370 3.960 0.045 0.000 0.114 121 G HA3 0.383 4.370 3.960 0.045 0.000 0.114 121 G C 1.142 175.393 174.900 -1.082 0.000 1.041 121 G CA 0.741 45.457 45.100 -0.641 0.000 0.714 121 G HN 2.378 nan 8.290 nan 0.000 0.492 122 G N -0.708 107.421 108.800 -1.119 0.000 2.166 122 G HA2 -0.125 3.862 3.960 0.045 0.000 0.260 122 G HA3 -0.125 3.862 3.960 0.045 0.000 0.260 122 G C 0.922 175.327 174.900 -0.826 0.000 0.986 122 G CA 0.910 45.029 45.100 -1.634 0.000 0.683 122 G HN 1.806 nan 8.290 nan 0.000 0.527 123 F N -3.396 116.297 119.950 -0.429 0.000 2.794 123 F HA -0.301 4.254 4.527 0.046 0.000 0.335 123 F C 1.426 177.275 175.800 0.082 0.000 0.653 123 F CA 2.120 60.042 58.000 -0.130 0.000 1.266 123 F CB -2.058 36.732 39.000 -0.351 0.000 1.666 123 F HN 0.936 nan 8.300 nan 0.000 0.314 124 Y N -0.856 119.504 120.300 0.099 0.000 2.500 124 Y HA 0.677 5.254 4.550 0.045 0.000 0.246 124 Y C 0.534 176.500 175.900 0.110 0.000 1.146 124 Y CA 0.071 58.260 58.100 0.148 0.000 1.230 124 Y CB -0.038 38.452 38.460 0.050 0.000 1.214 124 Y HN 0.112 nan 8.280 nan 0.000 0.526 125 S N -0.987 114.542 115.700 -0.285 0.000 2.643 125 S HA 0.871 5.368 4.470 0.045 0.000 0.270 125 S C -0.230 174.229 174.600 -0.235 0.000 1.166 125 S CA -0.447 57.632 58.200 -0.202 0.000 0.815 125 S CB 1.500 64.553 63.200 -0.245 0.000 1.139 125 S HN 1.394 nan 8.310 nan 0.000 0.472 126 G N -0.552 108.076 108.800 -0.287 0.000 2.423 126 G HA2 0.577 4.564 3.960 0.045 0.000 0.684 126 G HA3 0.577 4.564 3.960 0.045 0.000 0.684 126 G C -0.668 173.597 174.900 -1.058 0.000 1.309 126 G CA -0.230 44.540 45.100 -0.549 0.000 0.950 126 G HN 2.354 nan 8.290 nan 0.000 0.587 127 A N -1.514 120.464 122.820 -1.404 0.000 2.590 127 A HA 0.973 5.321 4.320 0.045 0.000 0.294 127 A C 0.437 177.809 177.584 -0.355 0.000 1.046 127 A CA 0.736 52.208 52.037 -0.942 0.000 0.684 127 A CB 0.667 19.413 19.000 -0.424 0.000 1.279 127 A HN 2.590 nan 8.150 nan 0.000 0.415 128 A N 0.262 123.101 122.820 0.032 0.000 2.251 128 A HA 0.336 4.683 4.320 0.045 0.000 0.209 128 A C 1.668 179.291 177.584 0.065 0.000 1.187 128 A CA 1.621 53.855 52.037 0.328 0.000 0.823 128 A CB -0.537 18.731 19.000 0.446 0.000 0.846 128 A HN 1.874 nan 8.150 nan 0.000 0.486 129 S N -0.383 115.122 115.700 -0.325 0.000 2.548 129 S HA 0.279 4.776 4.470 0.045 0.000 0.215 129 S C 0.561 174.732 174.600 -0.715 0.000 0.976 129 S CA -0.427 57.144 58.200 -1.049 0.000 0.908 129 S CB -0.628 61.898 63.200 -1.124 0.000 0.781 129 S HN 0.383 nan 8.310 nan 0.000 0.519 130 L N 2.515 123.475 121.223 -0.438 0.000 2.514 130 L HA 0.091 4.458 4.340 0.045 0.000 0.280 130 L C 1.153 177.692 176.870 -0.550 0.000 1.223 130 L CA -0.413 54.102 54.840 -0.543 0.000 0.864 130 L CB 0.155 41.746 42.059 -0.779 0.000 1.118 130 L HN 0.095 nan 8.230 nan 0.000 0.494 131 D N 1.409 121.530 120.400 -0.465 0.000 2.158 131 D HA -0.146 4.521 4.640 0.045 0.000 0.197 131 D C 1.974 178.002 176.300 -0.453 0.000 0.995 131 D CA 1.407 55.198 54.000 -0.349 0.000 0.846 131 D CB -0.092 40.543 40.800 -0.275 0.000 0.941 131 D HN 0.552 nan 8.370 nan 0.000 0.456 132 V N -1.341 118.157 119.914 -0.693 0.000 3.241 132 V HA -0.142 4.005 4.120 0.045 0.000 0.269 132 V C 1.043 176.572 176.094 -0.942 0.000 1.151 132 V CA 0.969 62.832 62.300 -0.728 0.000 1.158 132 V CB -1.213 30.137 31.823 -0.788 0.000 0.764 132 V HN 0.064 nan 8.190 nan 0.000 0.508 133 Y N -0.132 119.615 120.300 -0.922 0.000 2.555 133 Y HA 0.429 5.006 4.550 0.045 0.000 0.259 133 Y C 0.946 176.254 175.900 -0.986 0.000 1.179 133 Y CA -1.898 55.272 58.100 -1.549 0.000 1.230 133 Y CB -0.609 37.274 38.460 -0.962 0.000 1.146 133 Y HN 0.237 nan 8.280 nan 0.000 0.526 134 D N 0.958 121.088 120.400 -0.450 0.000 2.451 134 D HA 0.003 4.670 4.640 0.045 0.000 0.254 134 D C 1.391 177.392 176.300 -0.499 0.000 1.204 134 D CA 0.602 54.410 54.000 -0.319 0.000 0.896 134 D CB 1.288 42.026 40.800 -0.104 0.000 1.136 134 D HN 0.473 nan 8.370 nan 0.000 0.499 135 G N 4.285 112.204 108.800 -1.469 0.000 2.920 135 G HA2 -0.166 3.821 3.960 0.045 0.000 0.208 135 G HA3 -0.166 3.821 3.960 0.045 0.000 0.208 135 G C 1.513 175.819 174.900 -0.989 0.000 1.159 135 G CA -0.030 44.315 45.100 -1.258 0.000 0.784 135 G HN 0.594 nan 8.290 nan 0.000 0.535 136 R N -0.345 119.552 120.500 -1.004 0.000 2.148 136 R HA 0.013 4.381 4.340 0.045 0.000 0.227 136 R C 1.569 177.614 176.300 -0.427 0.000 1.103 136 R CA 0.877 56.622 56.100 -0.591 0.000 0.983 136 R CB -0.708 29.281 30.300 -0.519 0.000 0.874 136 R HN 0.331 nan 8.270 nan 0.000 0.451 137 F N 1.623 121.476 119.950 -0.162 0.000 2.163 137 F HA 0.065 4.620 4.527 0.046 0.000 0.297 137 F C 2.335 178.078 175.800 -0.094 0.000 1.094 137 F CA 0.769 58.705 58.000 -0.107 0.000 1.290 137 F CB -0.485 38.444 39.000 -0.118 0.000 1.017 137 F HN -0.145 nan 8.300 nan 0.000 0.483 138 L N -0.387 120.865 121.223 0.049 0.000 2.093 138 L HA -0.137 4.231 4.340 0.045 0.000 0.208 138 L C 2.660 179.541 176.870 0.019 0.000 1.085 138 L CA 1.028 55.865 54.840 -0.006 0.000 0.755 138 L CB -0.897 41.115 42.059 -0.078 0.000 0.904 138 L HN 0.148 nan 8.230 nan 0.000 0.435 139 A N -0.900 121.935 122.820 0.025 0.000 1.873 139 A HA -0.223 4.124 4.320 0.045 0.000 0.215 139 A C 2.297 179.928 177.584 0.078 0.000 1.186 139 A CA 1.421 53.510 52.037 0.088 0.000 0.616 139 A CB -0.458 18.639 19.000 0.163 0.000 0.823 139 A HN 0.355 nan 8.150 nan 0.000 0.442 140 Q N -0.075 119.754 119.800 0.049 0.000 1.990 140 Q HA -0.089 4.278 4.340 0.045 0.000 0.200 140 Q C 2.253 178.287 176.000 0.056 0.000 0.980 140 Q CA 2.090 57.925 55.803 0.054 0.000 0.832 140 Q CB -0.431 28.323 28.738 0.027 0.000 0.897 140 Q HN 0.396 nan 8.270 nan 0.000 0.427 141 V N 1.387 121.335 119.914 0.056 0.000 2.379 141 V HA -0.136 4.011 4.120 0.045 0.000 0.245 141 V C 1.721 177.833 176.094 0.030 0.000 1.044 141 V CA 1.657 63.983 62.300 0.044 0.000 1.036 141 V CB -0.220 31.628 31.823 0.041 0.000 0.664 141 V HN 0.278 nan 8.190 nan 0.000 0.453 142 E N -0.363 119.853 120.200 0.027 0.000 2.481 142 E HA 0.206 4.583 4.350 0.045 0.000 0.198 142 E C 1.659 178.279 176.600 0.033 0.000 1.027 142 E CA 0.686 57.098 56.400 0.020 0.000 0.900 142 E CB 0.522 30.226 29.700 0.006 0.000 0.993 142 E HN 0.591 nan 8.360 nan 0.000 0.482 143 G N 1.940 110.769 108.800 0.049 0.000 2.203 143 G HA2 -0.331 3.656 3.960 0.045 0.000 0.263 143 G HA3 -0.331 3.656 3.960 0.045 0.000 0.263 143 G C 0.520 175.463 174.900 0.072 0.000 1.012 143 G CA 0.494 45.632 45.100 0.064 0.000 0.749 143 G HN 0.466 nan 8.290 nan 0.000 0.512 144 A N -0.908 121.954 122.820 0.070 0.000 2.351 144 A HA 0.705 5.052 4.320 0.045 0.000 0.257 144 A C 0.529 178.192 177.584 0.132 0.000 1.087 144 A CA 0.033 52.118 52.037 0.080 0.000 0.798 144 A CB 1.181 20.212 19.000 0.052 0.000 1.033 144 A HN 1.078 nan 8.150 nan 0.000 0.488 145 V N 2.675 122.676 119.914 0.144 0.000 2.385 145 V HA 0.308 4.455 4.120 0.045 0.000 0.269 145 V C -0.100 176.128 176.094 0.224 0.000 1.043 145 V CA -0.020 62.396 62.300 0.192 0.000 0.906 145 V CB 0.699 32.624 31.823 0.171 0.000 0.995 145 V HN 0.701 nan 8.190 nan 0.000 0.467 146 L N 6.499 127.911 121.223 0.315 0.000 2.313 146 L HA 0.705 5.072 4.340 0.045 0.000 0.283 146 L C -0.699 176.466 176.870 0.492 0.000 1.013 146 L CA -0.172 54.908 54.840 0.399 0.000 0.816 146 L CB 1.738 44.024 42.059 0.379 0.000 1.236 146 L HN 0.438 nan 8.230 nan 0.000 0.419 147 V N 3.313 123.485 119.914 0.431 0.000 2.604 147 V HA 0.715 4.862 4.120 0.045 0.000 0.305 147 V C -0.407 175.938 176.094 0.419 0.000 1.043 147 V CA -0.431 62.078 62.300 0.349 0.000 0.888 147 V CB 1.948 33.896 31.823 0.209 0.000 0.995 147 V HN 0.850 nan 8.190 nan 0.000 0.429 148 S N 5.223 121.164 115.700 0.402 0.000 2.549 148 S HA 0.891 5.388 4.470 0.045 0.000 0.280 148 S C -0.849 173.899 174.600 0.246 0.000 1.109 148 S CA -0.836 57.599 58.200 0.392 0.000 0.905 148 S CB 2.330 65.879 63.200 0.583 0.000 1.081 148 S HN 0.864 nan 8.310 nan 0.000 0.477 149 M N 1.330 121.043 119.600 0.187 0.000 2.591 149 M HA 0.639 5.146 4.480 0.045 0.000 0.306 149 M C -1.644 174.868 176.300 0.354 0.000 1.190 149 M CA -0.575 54.827 55.300 0.170 0.000 0.889 149 M CB 1.140 33.665 32.600 -0.124 0.000 1.728 149 M HN 0.556 nan 8.290 nan 0.000 0.458 150 N N 2.656 121.626 118.700 0.450 0.000 2.525 150 N HA 0.540 5.307 4.740 0.045 0.000 0.271 150 N C -1.326 174.456 175.510 0.453 0.000 1.194 150 N CA 0.181 53.510 53.050 0.464 0.000 0.964 150 N CB 0.417 39.107 38.487 0.339 0.000 1.126 150 N HN 0.724 nan 8.380 nan 0.000 0.452 151 Y N -1.990 118.485 120.300 0.290 0.000 2.553 151 Y HA 0.557 5.134 4.550 0.045 0.000 0.347 151 Y C -0.073 175.958 175.900 0.220 0.000 1.019 151 Y CA -1.348 56.873 58.100 0.201 0.000 1.032 151 Y CB 0.927 39.437 38.460 0.084 0.000 1.284 151 Y HN 0.194 nan 8.280 nan 0.000 0.466 152 R N 1.914 122.568 120.500 0.257 0.000 2.489 152 R HA 0.458 4.825 4.340 0.045 0.000 0.287 152 R C -0.286 176.182 176.300 0.280 0.000 1.053 152 R CA -0.139 56.066 56.100 0.175 0.000 1.036 152 R CB 0.745 31.104 30.300 0.098 0.000 0.966 152 R HN 0.713 nan 8.270 nan 0.000 0.432 153 V N 0.196 120.308 119.914 0.331 0.000 3.166 153 V HA 0.871 5.018 4.120 0.045 0.000 0.317 153 V C 0.824 177.249 176.094 0.552 0.000 1.136 153 V CA -0.158 62.451 62.300 0.515 0.000 1.035 153 V CB 1.142 33.166 31.823 0.335 0.000 1.110 153 V HN 0.968 nan 8.190 nan 0.000 0.450 154 G N 1.633 110.799 108.800 0.609 0.000 2.574 154 G HA2 -0.299 3.688 3.960 0.045 0.000 0.282 154 G HA3 -0.299 3.688 3.960 0.045 0.000 0.282 154 G C 1.029 176.084 174.900 0.259 0.000 1.257 154 G CA 1.549 46.940 45.100 0.485 0.000 0.956 154 G HN 2.339 nan 8.290 nan 0.000 0.560 155 T N -1.795 112.627 114.554 -0.221 0.000 2.720 155 T HA -0.123 4.254 4.350 0.045 0.000 0.268 155 T C 2.141 176.720 174.700 -0.201 0.000 1.037 155 T CA 2.681 64.444 62.100 -0.561 0.000 1.144 155 T CB -0.452 67.941 68.868 -0.792 0.000 0.864 155 T HN 0.637 nan 8.240 nan 0.000 0.444 156 F N 2.257 122.275 119.950 0.113 0.000 2.202 156 F HA 0.186 4.740 4.527 0.045 0.000 0.301 156 F C 2.766 178.559 175.800 -0.011 0.000 1.082 156 F CA 0.872 58.866 58.000 -0.010 0.000 1.313 156 F CB -1.015 37.956 39.000 -0.047 0.000 1.024 156 F HN 0.394 nan 8.300 nan 0.000 0.495 157 G N -2.133 106.738 108.800 0.119 0.000 2.656 157 G HA2 0.036 4.023 3.960 0.045 0.000 0.211 157 G HA3 0.036 4.023 3.960 0.045 0.000 0.211 157 G C 0.894 175.355 174.900 -0.731 0.000 1.137 157 G CA 0.202 45.122 45.100 -0.300 0.000 0.802 157 G HN 0.358 nan 8.290 nan 0.000 0.527 158 F N -0.619 119.430 119.950 0.166 0.000 2.915 158 F HA 0.433 4.988 4.527 0.046 0.000 0.347 158 F C 0.455 176.351 175.800 0.161 0.000 1.104 158 F CA -0.930 57.151 58.000 0.135 0.000 1.126 158 F CB 0.362 39.439 39.000 0.127 0.000 1.145 158 F HN -0.099 nan 8.300 nan 0.000 0.541 159 L N 2.235 123.542 121.223 0.139 0.000 2.513 159 L HA 0.487 4.854 4.340 0.045 0.000 0.272 159 L C 0.004 176.872 176.870 -0.004 0.000 1.187 159 L CA 0.092 54.926 54.840 -0.009 0.000 0.895 159 L CB 0.406 42.206 42.059 -0.432 0.000 1.147 159 L HN 0.137 nan 8.230 nan 0.000 0.483 160 A N 6.499 129.347 122.820 0.047 0.000 2.381 160 A HA 0.618 4.965 4.320 0.045 0.000 0.299 160 A C -1.060 176.519 177.584 -0.009 0.000 1.049 160 A CA -0.577 51.471 52.037 0.018 0.000 0.715 160 A CB 1.131 20.171 19.000 0.067 0.000 1.222 160 A HN 0.696 nan 8.150 nan 0.000 0.428 161 L N 3.867 125.067 121.223 -0.040 0.000 2.321 161 L HA 0.320 4.687 4.340 0.045 0.000 0.272 161 L C -2.365 174.502 176.870 -0.006 0.000 1.050 161 L CA -1.872 52.952 54.840 -0.027 0.000 0.893 161 L CB 1.352 43.380 42.059 -0.050 0.000 1.272 161 L HN 0.412 nan 8.230 nan 0.000 0.435 162 P HA 0.074 nan 4.420 nan 0.000 0.264 162 P C 0.937 178.243 177.300 0.011 0.000 1.193 162 P CA 0.717 63.826 63.100 0.015 0.000 0.763 162 P CB 1.047 32.757 31.700 0.016 0.000 0.810 163 G N 1.957 110.767 108.800 0.016 0.000 2.317 163 G HA2 -0.259 3.729 3.960 0.045 0.000 0.227 163 G HA3 -0.259 3.729 3.960 0.045 0.000 0.227 163 G C 0.496 175.404 174.900 0.013 0.000 1.042 163 G CA 0.224 45.332 45.100 0.014 0.000 0.623 163 G HN 0.820 nan 8.290 nan 0.000 0.509 164 S N 0.351 116.056 115.700 0.009 0.000 2.576 164 S HA 0.423 4.920 4.470 0.045 0.000 0.272 164 S C 1.262 175.872 174.600 0.018 0.000 1.352 164 S CA 0.843 59.047 58.200 0.008 0.000 1.021 164 S CB 1.583 64.781 63.200 -0.005 0.000 0.887 164 S HN 0.646 nan 8.310 nan 0.000 0.542 165 R N 0.619 121.131 120.500 0.021 0.000 2.173 165 R HA 0.018 4.385 4.340 0.045 0.000 0.208 165 R C 1.507 177.830 176.300 0.038 0.000 1.035 165 R CA 1.058 57.175 56.100 0.029 0.000 1.004 165 R CB -0.071 30.245 30.300 0.027 0.000 0.917 165 R HN 0.931 nan 8.270 nan 0.000 0.462 166 E N -0.863 119.360 120.200 0.039 0.000 2.489 166 E HA 0.093 4.470 4.350 0.045 0.000 0.204 166 E C -0.347 176.303 176.600 0.083 0.000 1.006 166 E CA 0.190 56.627 56.400 0.062 0.000 0.936 166 E CB 1.184 30.922 29.700 0.063 0.000 1.002 166 E HN 0.185 nan 8.360 nan 0.000 0.488 167 A N 2.701 125.545 122.820 0.039 0.000 3.409 167 A HA 0.334 4.681 4.320 0.045 0.000 0.282 167 A C -2.097 175.496 177.584 0.014 0.000 1.064 167 A CA -0.919 51.131 52.037 0.022 0.000 0.889 167 A CB 0.786 19.718 19.000 -0.113 0.000 1.251 167 A HN -0.065 nan 8.150 nan 0.000 0.538 168 P HA 0.074 nan 4.420 nan 0.000 0.230 168 P C 0.955 178.280 177.300 0.041 0.000 1.158 168 P CA 1.856 64.979 63.100 0.039 0.000 0.769 168 P CB 0.074 31.805 31.700 0.052 0.000 0.807 169 G N 0.913 109.736 108.800 0.039 0.000 2.781 169 G HA2 -0.210 3.777 3.960 0.045 0.000 0.683 169 G HA3 -0.210 3.777 3.960 0.045 0.000 0.683 169 G C -0.040 174.868 174.900 0.014 0.000 1.390 169 G CA -0.264 44.863 45.100 0.045 0.000 0.850 169 G HN 0.161 nan 8.290 nan 0.000 0.557 170 N N -2.499 116.206 118.700 0.008 0.000 2.753 170 N HA -0.278 4.490 4.740 0.045 0.000 0.251 170 N C 1.845 177.218 175.510 -0.230 0.000 1.097 170 N CA 2.473 55.464 53.050 -0.099 0.000 0.786 170 N CB -1.651 36.735 38.487 -0.168 0.000 1.137 170 N HN 1.947 nan 8.380 nan 0.000 0.566 171 V N -2.717 117.061 119.914 -0.228 0.000 2.626 171 V HA 0.035 4.183 4.120 0.045 0.000 0.252 171 V C 2.248 178.210 176.094 -0.219 0.000 1.067 171 V CA 2.253 64.459 62.300 -0.157 0.000 1.081 171 V CB -0.788 30.993 31.823 -0.069 0.000 0.686 171 V HN 0.273 nan 8.190 nan 0.000 0.468 172 G N 0.390 108.868 108.800 -0.537 0.000 2.422 172 G HA2 -0.108 3.879 3.960 0.045 0.000 0.218 172 G HA3 -0.108 3.879 3.960 0.045 0.000 0.218 172 G C 1.524 176.365 174.900 -0.099 0.000 1.140 172 G CA 1.084 45.980 45.100 -0.340 0.000 0.775 172 G HN 0.544 nan 8.290 nan 0.000 0.545 173 L N -0.164 120.949 121.223 -0.184 0.000 2.109 173 L HA 0.102 4.470 4.340 0.045 0.000 0.207 173 L C 2.795 179.639 176.870 -0.043 0.000 1.086 173 L CA 0.283 54.976 54.840 -0.245 0.000 0.760 173 L CB -0.317 41.267 42.059 -0.791 0.000 0.910 173 L HN 0.165 nan 8.230 nan 0.000 0.437 174 L N -0.352 120.858 121.223 -0.021 0.000 2.083 174 L HA -0.230 4.138 4.340 0.045 0.000 0.209 174 L C 2.202 179.179 176.870 0.178 0.000 1.083 174 L CA 0.979 55.914 54.840 0.160 0.000 0.752 174 L CB -0.648 41.490 42.059 0.133 0.000 0.899 174 L HN 0.302 nan 8.230 nan 0.000 0.433 175 D N -0.137 120.356 120.400 0.155 0.000 2.097 175 D HA -0.205 4.463 4.640 0.045 0.000 0.195 175 D C 2.271 178.716 176.300 0.242 0.000 0.989 175 D CA 1.172 55.344 54.000 0.287 0.000 0.827 175 D CB -0.205 40.786 40.800 0.317 0.000 0.966 175 D HN 0.403 nan 8.370 nan 0.000 0.456 176 Q N 0.163 120.033 119.800 0.116 0.000 2.050 176 Q HA -0.140 4.227 4.340 0.045 0.000 0.202 176 Q C 2.299 178.271 176.000 -0.048 0.000 0.980 176 Q CA 1.127 56.917 55.803 -0.022 0.000 0.840 176 Q CB -0.051 28.673 28.738 -0.022 0.000 0.898 176 Q HN 0.191 nan 8.270 nan 0.000 0.424 177 R N 0.501 121.079 120.500 0.130 0.000 2.083 177 R HA -0.192 4.175 4.340 0.045 0.000 0.237 177 R C 2.223 178.577 176.300 0.090 0.000 1.137 177 R CA 1.233 57.411 56.100 0.130 0.000 0.951 177 R CB -0.305 30.187 30.300 0.320 0.000 0.851 177 R HN 0.233 nan 8.270 nan 0.000 0.434 178 L N 0.806 122.116 121.223 0.145 0.000 2.042 178 L HA -0.085 4.282 4.340 0.045 0.000 0.210 178 L C 2.277 179.200 176.870 0.089 0.000 1.076 178 L CA 2.169 57.123 54.840 0.191 0.000 0.749 178 L CB -0.701 41.554 42.059 0.326 0.000 0.893 178 L HN 0.285 nan 8.230 nan 0.000 0.432 179 A N -0.966 121.713 122.820 -0.235 0.000 1.933 179 A HA -0.156 4.192 4.320 0.045 0.000 0.218 179 A C 2.104 179.623 177.584 -0.107 0.000 1.175 179 A CA 1.742 53.465 52.037 -0.524 0.000 0.628 179 A CB -0.780 17.630 19.000 -0.984 0.000 0.814 179 A HN 0.413 nan 8.150 nan 0.000 0.444 180 L N -0.412 120.761 121.223 -0.084 0.000 2.042 180 L HA -0.209 4.158 4.340 0.045 0.000 0.210 180 L C 2.627 179.543 176.870 0.077 0.000 1.076 180 L CA 2.068 56.900 54.840 -0.012 0.000 0.749 180 L CB -1.077 40.934 42.059 -0.080 0.000 0.893 180 L HN 0.465 nan 8.230 nan 0.000 0.432 181 Q N -2.291 117.568 119.800 0.098 0.000 2.084 181 Q HA -0.262 4.105 4.340 0.045 0.000 0.202 181 Q C 2.136 178.229 176.000 0.155 0.000 0.978 181 Q CA 2.015 57.889 55.803 0.117 0.000 0.844 181 Q CB -0.383 28.433 28.738 0.129 0.000 0.898 181 Q HN 0.581 nan 8.270 nan 0.000 0.426 182 W N -0.079 121.233 121.300 0.020 0.000 2.338 182 W HA -0.235 4.452 4.660 0.045 0.000 0.304 182 W C 1.791 178.337 176.519 0.045 0.000 1.212 182 W CA 1.364 58.739 57.345 0.050 0.000 1.264 182 W CB -0.176 29.315 29.460 0.051 0.000 1.142 182 W HN -0.111 nan 8.180 nan 0.000 0.512 183 V N 0.977 121.117 119.914 0.378 0.000 2.287 183 V HA -0.378 3.769 4.120 0.045 0.000 0.248 183 V C 2.579 178.699 176.094 0.043 0.000 1.053 183 V CA 2.163 64.597 62.300 0.224 0.000 1.027 183 V CB -1.100 30.855 31.823 0.219 0.000 0.646 183 V HN 0.226 nan 8.190 nan 0.000 0.447 184 Q N 0.007 119.835 119.800 0.048 0.000 2.077 184 Q HA -0.247 4.121 4.340 0.045 0.000 0.206 184 Q C 2.189 178.161 176.000 -0.047 0.000 0.989 184 Q CA 1.977 57.792 55.803 0.019 0.000 0.853 184 Q CB -0.360 28.397 28.738 0.031 0.000 0.907 184 Q HN 0.750 nan 8.270 nan 0.000 0.418 185 E N -0.369 119.764 120.200 -0.111 0.000 2.285 185 E HA -0.020 4.358 4.350 0.045 0.000 0.194 185 E C 1.170 177.611 176.600 -0.266 0.000 0.997 185 E CA 0.420 56.719 56.400 -0.168 0.000 0.845 185 E CB 0.217 29.813 29.700 -0.173 0.000 0.782 185 E HN 0.324 nan 8.360 nan 0.000 0.491 186 N N -0.177 118.279 118.700 -0.408 0.000 2.211 186 N HA 0.038 4.805 4.740 0.045 0.000 0.216 186 N C 1.348 176.762 175.510 -0.159 0.000 1.240 186 N CA 0.031 52.795 53.050 -0.476 0.000 0.895 186 N CB 0.569 38.344 38.487 -1.187 0.000 1.102 186 N HN 0.034 nan 8.380 nan 0.000 0.498 187 I N 2.361 122.890 120.570 -0.069 0.000 2.493 187 I HA -0.045 4.152 4.170 0.045 0.000 0.254 187 I C 2.144 178.373 176.117 0.187 0.000 1.160 187 I CA 0.544 61.933 61.300 0.148 0.000 1.445 187 I CB -0.262 37.805 38.000 0.111 0.000 1.086 187 I HN 0.053 nan 8.210 nan 0.000 0.433 188 A N 0.310 123.168 122.820 0.062 0.000 1.978 188 A HA -0.161 4.186 4.320 0.045 0.000 0.220 188 A C 2.458 180.042 177.584 -0.001 0.000 1.170 188 A CA 1.656 53.711 52.037 0.030 0.000 0.636 188 A CB -1.074 17.918 19.000 -0.013 0.000 0.810 188 A HN 0.462 nan 8.150 nan 0.000 0.448 189 A N -1.662 121.120 122.820 -0.063 0.000 2.125 189 A HA 0.110 4.457 4.320 0.045 0.000 0.219 189 A C 1.462 178.819 177.584 -0.379 0.000 1.156 189 A CA 1.101 52.983 52.037 -0.257 0.000 0.671 189 A CB -0.607 18.142 19.000 -0.419 0.000 0.794 189 A HN 0.499 nan 8.150 nan 0.000 0.459 190 F N -1.346 118.552 119.950 -0.086 0.000 2.695 190 F HA 0.387 4.942 4.527 0.046 0.000 0.303 190 F C 1.757 177.557 175.800 -0.001 0.000 1.091 190 F CA 0.422 58.382 58.000 -0.067 0.000 1.300 190 F CB 0.257 39.224 39.000 -0.055 0.000 1.071 190 F HN 0.307 nan 8.300 nan 0.000 0.578 191 G N 0.316 109.193 108.800 0.128 0.000 2.157 191 G HA2 -0.195 3.792 3.960 0.045 0.000 0.248 191 G HA3 -0.195 3.792 3.960 0.045 0.000 0.248 191 G C 0.676 175.644 174.900 0.112 0.000 0.979 191 G CA -0.222 44.937 45.100 0.098 0.000 0.650 191 G HN 0.725 nan 8.290 nan 0.000 0.529 192 G N -0.485 108.403 108.800 0.147 0.000 2.476 192 G HA2 0.470 4.458 3.960 0.045 0.000 0.269 192 G HA3 0.470 4.458 3.960 0.045 0.000 0.269 192 G C -0.638 174.311 174.900 0.082 0.000 1.195 192 G CA 0.386 45.560 45.100 0.122 0.000 0.843 192 G HN 0.283 nan 8.290 nan 0.000 0.545 193 D N 1.275 121.714 120.400 0.065 0.000 2.412 193 D HA 0.340 5.007 4.640 0.045 0.000 0.224 193 D C -1.506 174.825 176.300 0.053 0.000 1.093 193 D CA -2.431 51.591 54.000 0.037 0.000 0.850 193 D CB 1.934 42.738 40.800 0.007 0.000 1.046 193 D HN 0.000 nan 8.370 nan 0.000 0.507 194 P HA -0.003 nan 4.420 nan 0.000 0.230 194 P C 1.223 178.616 177.300 0.155 0.000 1.158 194 P CA 0.713 63.874 63.100 0.102 0.000 0.769 194 P CB 0.079 31.820 31.700 0.068 0.000 0.807 195 M N -1.591 118.033 119.600 0.041 0.000 2.561 195 M HA 0.068 4.575 4.480 0.045 0.000 0.238 195 M C 0.576 176.589 176.300 -0.478 0.000 1.131 195 M CA 0.574 55.812 55.300 -0.104 0.000 1.046 195 M CB 0.102 32.638 32.600 -0.107 0.000 1.532 195 M HN -0.179 nan 8.290 nan 0.000 0.497 196 S N 0.954 116.534 115.700 -0.199 0.000 2.524 196 S HA 0.475 4.972 4.470 0.045 0.000 0.227 196 S C -1.029 173.633 174.600 0.104 0.000 1.304 196 S CA -0.561 57.527 58.200 -0.188 0.000 1.185 196 S CB 0.549 63.663 63.200 -0.143 0.000 1.104 196 S HN -0.009 nan 8.310 nan 0.000 0.475 197 V N 4.142 124.309 119.914 0.421 0.000 2.487 197 V HA 0.591 4.739 4.120 0.045 0.000 0.298 197 V C -0.138 176.148 176.094 0.320 0.000 1.028 197 V CA -0.501 61.999 62.300 0.333 0.000 0.860 197 V CB 2.124 34.133 31.823 0.310 0.000 0.991 197 V HN 0.758 nan 8.190 nan 0.000 0.427 198 T N 6.205 120.894 114.554 0.226 0.000 2.809 198 T HA 0.583 4.961 4.350 0.045 0.000 0.284 198 T C -0.325 174.518 174.700 0.238 0.000 0.992 198 T CA -0.374 61.862 62.100 0.227 0.000 0.957 198 T CB 0.949 69.903 68.868 0.144 0.000 0.942 198 T HN 0.360 nan 8.240 nan 0.000 0.439 199 L N 4.986 126.317 121.223 0.180 0.000 2.331 199 L HA 0.612 4.979 4.340 0.045 0.000 0.278 199 L C -0.335 176.733 176.870 0.331 0.000 1.106 199 L CA -0.740 54.173 54.840 0.122 0.000 0.824 199 L CB 0.110 42.031 42.059 -0.231 0.000 1.142 199 L HN 0.593 nan 8.230 nan 0.000 0.443 200 F N 0.574 120.577 119.950 0.089 0.000 2.588 200 F HA 0.987 5.541 4.527 0.045 0.000 0.314 200 F C -0.123 175.589 175.800 -0.146 0.000 1.069 200 F CA -1.846 56.234 58.000 0.134 0.000 0.931 200 F CB 1.561 40.798 39.000 0.395 0.000 1.260 200 F HN 0.446 nan 8.300 nan 0.000 0.465 201 G N 0.825 109.442 108.800 -0.306 0.000 2.646 201 G HA2 0.496 4.483 3.960 0.045 0.000 0.291 201 G HA3 0.496 4.483 3.960 0.045 0.000 0.291 201 G C -2.370 172.280 174.900 -0.416 0.000 1.445 201 G CA -0.731 43.825 45.100 -0.907 0.000 0.814 201 G HN 0.881 nan 8.290 nan 0.000 0.495 205 G N 0.559 109.144 108.800 -0.358 0.000 2.422 205 G HA2 0.123 4.110 3.960 0.045 0.000 0.218 205 G HA3 0.123 4.110 3.960 0.045 0.000 0.218 205 G C 1.600 176.313 174.900 -0.311 0.000 1.146 205 G CA 1.711 46.557 45.100 -0.423 0.000 0.769 205 G HN 1.213 nan 8.290 nan 0.000 0.547 206 A N 1.098 123.811 122.820 -0.179 0.000 1.897 206 A HA 0.372 4.719 4.320 0.045 0.000 0.215 206 A C 2.786 180.341 177.584 -0.048 0.000 1.181 206 A CA 1.971 53.963 52.037 -0.075 0.000 0.620 206 A CB -0.688 18.325 19.000 0.022 0.000 0.821 206 A HN 0.724 nan 8.150 nan 0.000 0.443 207 A N -0.396 122.418 122.820 -0.011 0.000 1.972 207 A HA -0.046 4.301 4.320 0.045 0.000 0.219 207 A C 2.405 179.983 177.584 -0.009 0.000 1.169 207 A CA 1.993 54.016 52.037 -0.025 0.000 0.635 207 A CB -0.717 18.273 19.000 -0.017 0.000 0.810 207 A HN 0.447 nan 8.150 nan 0.000 0.446 208 S N -0.312 115.371 115.700 -0.029 0.000 2.345 208 S HA -0.132 4.365 4.470 0.045 0.000 0.220 208 S C 1.918 176.483 174.600 -0.058 0.000 1.031 208 S CA 1.370 59.526 58.200 -0.073 0.000 0.996 208 S CB -0.609 62.489 63.200 -0.170 0.000 0.882 208 S HN 0.350 nan 8.310 nan 0.000 0.445 209 V N 1.985 121.864 119.914 -0.057 0.000 2.278 209 V HA -0.249 3.898 4.120 0.045 0.000 0.251 209 V C 2.648 178.735 176.094 -0.012 0.000 1.062 209 V CA 2.129 64.402 62.300 -0.044 0.000 1.038 209 V CB -1.623 30.149 31.823 -0.085 0.000 0.646 209 V HN 0.611 nan 8.190 nan 0.000 0.447 210 G N -1.163 107.623 108.800 -0.024 0.000 2.440 210 G HA2 -0.295 3.692 3.960 0.045 0.000 0.218 210 G HA3 -0.295 3.692 3.960 0.045 0.000 0.218 210 G C 1.623 176.534 174.900 0.018 0.000 1.154 210 G CA 1.210 46.301 45.100 -0.014 0.000 0.767 210 G HN 0.456 nan 8.290 nan 0.000 0.552 211 M N -0.158 119.432 119.600 -0.017 0.000 2.175 211 M HA -0.008 4.499 4.480 0.045 0.000 0.264 211 M C 2.338 178.686 176.300 0.079 0.000 1.063 211 M CA 0.971 56.284 55.300 0.021 0.000 1.119 211 M CB -0.261 32.314 32.600 -0.042 0.000 1.377 211 M HN 0.237 nan 8.290 nan 0.000 0.415 212 H N -0.198 118.971 119.070 0.166 0.000 2.389 212 H HA -0.049 4.535 4.556 0.045 0.000 0.299 212 H C 2.147 177.666 175.328 0.319 0.000 1.081 212 H CA 1.493 57.651 56.048 0.183 0.000 1.345 212 H CB -0.391 29.337 29.762 -0.057 0.000 1.393 212 H HN 0.421 nan 8.280 nan 0.000 0.520 213 I N 0.826 121.639 120.570 0.405 0.000 2.264 213 I HA -0.250 3.947 4.170 0.045 0.000 0.248 213 I C 1.858 178.155 176.117 0.300 0.000 1.111 213 I CA 1.133 62.688 61.300 0.424 0.000 1.382 213 I CB -0.101 38.053 38.000 0.257 0.000 1.060 213 I HN 0.123 nan 8.210 nan 0.000 0.418 214 L N -0.784 120.563 121.223 0.207 0.000 2.592 214 L HA 0.109 4.476 4.340 0.045 0.000 0.227 214 L C 0.838 177.748 176.870 0.065 0.000 1.127 214 L CA 0.004 54.941 54.840 0.163 0.000 0.884 214 L CB -0.058 42.077 42.059 0.128 0.000 1.065 214 L HN 0.042 nan 8.230 nan 0.000 0.457 215 S N -0.428 115.281 115.700 0.014 0.000 2.596 215 S HA 0.307 4.804 4.470 0.045 0.000 0.318 215 S C 0.664 175.185 174.600 -0.132 0.000 1.097 215 S CA -0.619 57.468 58.200 -0.187 0.000 1.080 215 S CB 1.512 64.314 63.200 -0.663 0.000 0.991 215 S HN 0.100 nan 8.310 nan 0.000 0.471 216 L N 6.727 127.879 121.223 -0.119 0.000 1.990 216 L HA 0.049 4.416 4.340 0.045 0.000 0.213 216 L C -0.922 175.904 176.870 -0.073 0.000 1.072 216 L CA 2.247 57.039 54.840 -0.079 0.000 0.755 216 L CB -1.036 40.977 42.059 -0.076 0.000 0.889 216 L HN 0.531 nan 8.230 nan 0.000 0.432 217 P HA -0.104 nan 4.420 nan 0.000 0.221 217 P C 1.558 178.860 177.300 0.002 0.000 1.145 217 P CA 1.266 64.332 63.100 -0.057 0.000 0.795 217 P CB 0.008 31.665 31.700 -0.072 0.000 0.775 218 S N -1.000 114.726 115.700 0.042 0.000 2.461 218 S HA -0.001 4.496 4.470 0.045 0.000 0.228 218 S C 1.785 176.521 174.600 0.227 0.000 1.005 218 S CA 0.499 58.833 58.200 0.222 0.000 0.942 218 S CB -0.358 63.113 63.200 0.452 0.000 0.776 218 S HN 0.097 nan 8.310 nan 0.000 0.514 219 R N 1.844 122.371 120.500 0.044 0.000 2.189 219 R HA 0.027 4.394 4.340 0.045 0.000 0.223 219 R C 2.261 178.371 176.300 -0.316 0.000 1.092 219 R CA 1.192 57.163 56.100 -0.214 0.000 0.989 219 R CB -1.095 29.112 30.300 -0.155 0.000 0.876 219 R HN 0.568 nan 8.270 nan 0.000 0.457 220 S N -0.126 115.484 115.700 -0.150 0.000 2.603 220 S HA 0.075 4.572 4.470 0.045 0.000 0.220 220 S C 1.622 176.140 174.600 -0.136 0.000 0.967 220 S CA 0.201 58.316 58.200 -0.142 0.000 0.920 220 S CB -0.149 63.012 63.200 -0.065 0.000 0.773 220 S HN 0.222 nan 8.310 nan 0.000 0.529 221 L N 0.585 121.765 121.223 -0.072 0.000 2.640 221 L HA 0.503 4.870 4.340 0.045 0.000 0.230 221 L C -0.025 176.891 176.870 0.076 0.000 1.123 221 L CA -0.412 54.450 54.840 0.035 0.000 0.900 221 L CB -0.145 41.983 42.059 0.117 0.000 1.146 221 L HN 0.524 nan 8.230 nan 0.000 0.484 222 F N -4.188 115.553 119.950 -0.349 0.000 2.807 222 F HA 0.426 4.980 4.527 0.045 0.000 0.316 222 F C 0.150 175.590 175.800 -0.600 0.000 1.162 222 F CA -1.023 56.736 58.000 -0.401 0.000 0.910 222 F CB 0.764 39.694 39.000 -0.118 0.000 1.314 222 F HN -0.150 nan 8.300 nan 0.000 0.454 223 H N -0.455 118.662 119.070 0.077 0.000 3.205 223 H HA 0.468 5.051 4.556 0.045 0.000 0.252 223 H C -0.148 175.199 175.328 0.032 0.000 1.015 223 H CA -0.044 55.972 56.048 -0.053 0.000 1.192 223 H CB 1.064 30.803 29.762 -0.038 0.000 1.474 223 H HN 0.453 nan 8.280 nan 0.000 0.484 224 R N 0.091 120.784 120.500 0.321 0.000 2.734 224 R HA 0.711 5.079 4.340 0.045 0.000 0.271 224 R C -1.471 175.094 176.300 0.442 0.000 1.021 224 R CA -0.656 55.609 56.100 0.275 0.000 0.893 224 R CB 2.761 33.040 30.300 -0.035 0.000 1.244 224 R HN 0.133 nan 8.270 nan 0.000 0.464 225 A N 0.905 123.999 122.820 0.457 0.000 2.539 225 A HA 0.745 5.092 4.320 0.045 0.000 0.296 225 A C -1.485 176.246 177.584 0.246 0.000 1.073 225 A CA -0.624 51.605 52.037 0.320 0.000 0.700 225 A CB 2.054 21.196 19.000 0.236 0.000 1.296 225 A HN 0.277 nan 8.150 nan 0.000 0.405 226 V N 1.570 121.580 119.914 0.160 0.000 2.525 226 V HA 0.467 4.614 4.120 0.045 0.000 0.299 226 V C -1.231 174.936 176.094 0.123 0.000 1.034 226 V CA -0.259 62.067 62.300 0.042 0.000 0.863 226 V CB 1.278 33.143 31.823 0.070 0.000 0.999 226 V HN 0.677 nan 8.190 nan 0.000 0.423 227 L N 5.163 126.429 121.223 0.072 0.000 2.295 227 L HA 0.517 4.885 4.340 0.045 0.000 0.281 227 L C 0.104 177.067 176.870 0.155 0.000 1.018 227 L CA 0.081 54.967 54.840 0.078 0.000 0.841 227 L CB 1.443 43.507 42.059 0.008 0.000 1.218 227 L HN 0.630 nan 8.230 nan 0.000 0.424 228 Q N 2.153 122.094 119.800 0.235 0.000 2.331 228 Q HA 0.420 4.788 4.340 0.045 0.000 0.257 228 Q C 0.218 176.334 176.000 0.193 0.000 0.957 228 Q CA -0.487 55.511 55.803 0.325 0.000 0.923 228 Q CB 1.177 30.188 28.738 0.456 0.000 1.212 228 Q HN 0.621 nan 8.270 nan 0.000 0.443 229 S N 1.026 116.824 115.700 0.163 0.000 3.682 229 S HA -0.153 4.344 4.470 0.045 0.000 0.354 229 S C -0.003 174.752 174.600 0.260 0.000 1.034 229 S CA 0.543 58.856 58.200 0.189 0.000 1.084 229 S CB -1.162 62.137 63.200 0.165 0.000 0.903 229 S HN 0.998 nan 8.310 nan 0.000 0.470 230 G N -0.392 108.532 108.800 0.207 0.000 2.616 230 G HA2 0.642 4.630 3.960 0.045 0.000 0.294 230 G HA3 0.642 4.630 3.960 0.045 0.000 0.294 230 G C -0.924 174.042 174.900 0.110 0.000 1.489 230 G CA 0.225 45.502 45.100 0.295 0.000 0.836 230 G HN 0.948 nan 8.290 nan 0.000 0.527 231 T N -1.213 113.351 114.554 0.017 0.000 2.853 231 T HA 0.746 5.123 4.350 0.045 0.000 0.311 231 T C -2.474 172.070 174.700 -0.261 0.000 1.307 231 T CA -1.320 60.706 62.100 -0.124 0.000 1.019 231 T CB 3.021 71.804 68.868 -0.142 0.000 1.264 231 T HN 0.278 nan 8.240 nan 0.000 0.497 232 P HA 0.040 nan 4.420 nan 0.000 0.224 232 P C 0.160 177.302 177.300 -0.263 0.000 1.157 232 P CA 0.468 63.440 63.100 -0.214 0.000 0.799 232 P CB -0.004 31.628 31.700 -0.113 0.000 0.809 233 N N 0.642 119.202 118.700 -0.233 0.000 2.408 233 N HA 0.336 5.103 4.740 0.045 0.000 0.260 233 N C 0.772 176.085 175.510 -0.328 0.000 1.242 233 N CA 0.452 53.370 53.050 -0.221 0.000 0.959 233 N CB 0.421 38.821 38.487 -0.145 0.000 1.201 233 N HN 0.174 nan 8.380 nan 0.000 0.511 234 G N -0.637 107.993 108.800 -0.283 0.000 2.498 234 G HA2 -0.118 3.870 3.960 0.045 0.000 0.651 234 G HA3 -0.118 3.870 3.960 0.045 0.000 0.651 234 G C -2.401 172.273 174.900 -0.377 0.000 1.284 234 G CA -0.308 44.584 45.100 -0.346 0.000 0.950 234 G HN 0.496 nan 8.290 nan 0.000 0.511 235 P HA 0.155 nan 4.420 nan 0.000 0.231 235 P C 1.480 178.719 177.300 -0.102 0.000 1.168 235 P CA 1.931 64.905 63.100 -0.209 0.000 0.779 235 P CB -0.011 31.515 31.700 -0.290 0.000 0.844 236 W N -1.939 119.281 121.300 -0.133 0.000 2.865 236 W HA 0.599 5.286 4.660 0.045 0.000 0.300 236 W C 0.999 177.596 176.519 0.130 0.000 1.096 236 W CA 0.429 57.772 57.345 -0.003 0.000 1.524 236 W CB -0.804 28.695 29.460 0.065 0.000 0.991 236 W HN -0.172 nan 8.180 nan 0.000 0.571 237 A N 1.839 124.364 122.820 -0.490 0.000 2.123 237 A HA 0.157 4.504 4.320 0.045 0.000 0.214 237 A C 1.125 178.582 177.584 -0.213 0.000 1.152 237 A CA 1.690 53.504 52.037 -0.372 0.000 0.728 237 A CB -0.722 17.775 19.000 -0.838 0.000 0.814 237 A HN 0.204 nan 8.150 nan 0.000 0.464 238 T N -2.971 111.465 114.554 -0.198 0.000 2.883 238 T HA 0.630 5.007 4.350 0.045 0.000 0.296 238 T C -0.579 174.061 174.700 -0.101 0.000 1.117 238 T CA -0.116 61.882 62.100 -0.169 0.000 1.006 238 T CB 1.434 70.210 68.868 -0.153 0.000 1.191 238 T HN 0.875 nan 8.240 nan 0.000 0.508 239 V N -1.123 118.740 119.914 -0.085 0.000 3.001 239 V HA 0.908 5.055 4.120 0.045 0.000 0.314 239 V C 0.284 176.352 176.094 -0.043 0.000 1.099 239 V CA -0.835 61.433 62.300 -0.054 0.000 0.989 239 V CB 1.362 33.157 31.823 -0.046 0.000 1.040 239 V HN 1.366 nan 8.190 nan 0.000 0.434 240 S N 1.791 117.472 115.700 -0.032 0.000 2.608 240 S HA 0.591 5.088 4.470 0.045 0.000 0.261 240 S C 1.414 176.007 174.600 -0.012 0.000 1.314 240 S CA 0.085 58.272 58.200 -0.021 0.000 0.992 240 S CB 1.147 64.336 63.200 -0.019 0.000 0.935 240 S HN 1.944 nan 8.310 nan 0.000 0.564 241 A N 1.582 124.400 122.820 -0.004 0.000 1.908 241 A HA 0.108 4.455 4.320 0.045 0.000 0.218 241 A C 2.208 179.793 177.584 0.002 0.000 1.181 241 A CA 1.766 53.805 52.037 0.003 0.000 0.627 241 A CB -1.850 17.154 19.000 0.006 0.000 0.818 241 A HN 1.139 nan 8.150 nan 0.000 0.445 242 G N -0.485 108.313 108.800 -0.003 0.000 2.418 242 G HA2 -0.234 3.753 3.960 0.045 0.000 0.217 242 G HA3 -0.234 3.753 3.960 0.045 0.000 0.217 242 G C 1.466 176.362 174.900 -0.006 0.000 1.158 242 G CA 1.346 46.443 45.100 -0.004 0.000 0.771 242 G HN 0.590 nan 8.290 nan 0.000 0.545 243 E N 0.944 121.137 120.200 -0.012 0.000 2.150 243 E HA 0.103 4.480 4.350 0.045 0.000 0.193 243 E C 2.604 179.192 176.600 -0.020 0.000 0.985 243 E CA 1.337 57.726 56.400 -0.019 0.000 0.814 243 E CB -0.474 29.210 29.700 -0.027 0.000 0.752 243 E HN 0.279 nan 8.360 nan 0.000 0.466 244 A N 1.040 123.856 122.820 -0.006 0.000 1.877 244 A HA -0.192 4.155 4.320 0.045 0.000 0.216 244 A C 2.309 179.917 177.584 0.040 0.000 1.186 244 A CA 1.828 53.878 52.037 0.021 0.000 0.620 244 A CB -0.679 18.345 19.000 0.041 0.000 0.822 244 A HN 0.299 nan 8.150 nan 0.000 0.443 245 R N -0.621 119.893 120.500 0.023 0.000 2.105 245 R HA -0.136 4.232 4.340 0.045 0.000 0.239 245 R C 2.422 178.734 176.300 0.020 0.000 1.135 245 R CA 1.617 57.728 56.100 0.018 0.000 0.967 245 R CB -0.308 29.996 30.300 0.007 0.000 0.861 245 R HN 0.512 nan 8.270 nan 0.000 0.442 246 R N 0.412 120.919 120.500 0.011 0.000 2.073 246 R HA -0.103 4.264 4.340 0.045 0.000 0.234 246 R C 2.262 178.575 176.300 0.021 0.000 1.134 246 R CA 1.763 57.868 56.100 0.008 0.000 0.952 246 R CB -0.100 30.198 30.300 -0.003 0.000 0.850 246 R HN 0.270 nan 8.270 nan 0.000 0.433 247 R N -0.252 120.256 120.500 0.013 0.000 2.096 247 R HA -0.078 4.289 4.340 0.045 0.000 0.235 247 R C 2.311 178.718 176.300 0.178 0.000 1.127 247 R CA 1.392 57.502 56.100 0.017 0.000 0.968 247 R CB -0.296 29.900 30.300 -0.173 0.000 0.861 247 R HN 0.242 nan 8.270 nan 0.000 0.440 248 A N 0.427 123.364 122.820 0.194 0.000 1.873 248 A HA -0.127 4.220 4.320 0.045 0.000 0.215 248 A C 2.169 179.790 177.584 0.062 0.000 1.186 248 A CA 1.824 53.960 52.037 0.165 0.000 0.616 248 A CB -0.796 18.236 19.000 0.054 0.000 0.823 248 A HN 0.260 nan 8.150 nan 0.000 0.442 249 T N 0.265 114.840 114.554 0.036 0.000 2.746 249 T HA -0.144 4.233 4.350 0.045 0.000 0.267 249 T C 1.831 176.544 174.700 0.023 0.000 1.039 249 T CA 1.512 63.619 62.100 0.013 0.000 1.142 249 T CB -0.389 68.483 68.868 0.007 0.000 0.866 249 T HN 0.274 nan 8.240 nan 0.000 0.444 250 L N 1.099 122.348 121.223 0.043 0.000 2.012 250 L HA 0.040 4.407 4.340 0.045 0.000 0.210 250 L C 2.242 179.148 176.870 0.059 0.000 1.073 250 L CA 1.518 56.386 54.840 0.046 0.000 0.748 250 L CB -1.036 41.055 42.059 0.054 0.000 0.891 250 L HN 0.228 nan 8.230 nan 0.000 0.431 251 L N -0.410 120.881 121.223 0.114 0.000 2.012 251 L HA -0.154 4.213 4.340 0.045 0.000 0.210 251 L C 2.512 179.397 176.870 0.025 0.000 1.073 251 L CA 2.080 56.991 54.840 0.119 0.000 0.748 251 L CB -0.788 41.401 42.059 0.217 0.000 0.891 251 L HN 0.294 nan 8.230 nan 0.000 0.431 252 A N -0.162 122.660 122.820 0.003 0.000 1.883 252 A HA -0.313 4.034 4.320 0.045 0.000 0.217 252 A C 2.490 180.060 177.584 -0.024 0.000 1.186 252 A CA 2.119 54.143 52.037 -0.022 0.000 0.624 252 A CB -0.810 18.169 19.000 -0.035 0.000 0.822 252 A HN 0.558 nan 8.150 nan 0.000 0.444 253 R N -0.323 120.166 120.500 -0.018 0.000 2.103 253 R HA -0.128 4.240 4.340 0.045 0.000 0.242 253 R C 1.941 178.206 176.300 -0.058 0.000 1.142 253 R CA 1.816 57.900 56.100 -0.026 0.000 0.960 253 R CB -0.473 29.818 30.300 -0.015 0.000 0.858 253 R HN 0.536 nan 8.270 nan 0.000 0.439 254 L N 0.597 121.766 121.223 -0.090 0.000 2.191 254 L HA -0.094 4.274 4.340 0.045 0.000 0.212 254 L C 1.914 178.596 176.870 -0.314 0.000 1.103 254 L CA 0.860 55.561 54.840 -0.232 0.000 0.769 254 L CB -0.090 41.784 42.059 -0.309 0.000 0.908 254 L HN 0.250 nan 8.230 nan 0.000 0.438 255 V N -3.785 116.036 119.914 -0.155 0.000 3.376 255 V HA 0.528 4.675 4.120 0.045 0.000 0.313 255 V C 1.014 177.098 176.094 -0.016 0.000 1.393 255 V CA 0.209 62.471 62.300 -0.064 0.000 1.125 255 V CB -0.197 31.642 31.823 0.027 0.000 1.037 255 V HN 0.423 nan 8.190 nan 0.000 0.440 256 G N -0.539 108.243 108.800 -0.029 0.000 2.142 256 G HA2 -0.201 3.787 3.960 0.045 0.000 0.225 256 G HA3 -0.201 3.787 3.960 0.045 0.000 0.225 256 G C -0.009 174.890 174.900 -0.002 0.000 1.015 256 G CA -0.028 45.067 45.100 -0.009 0.000 0.716 256 G HN 0.733 nan 8.290 nan 0.000 0.508 266 D N 0.648 121.043 120.400 -0.009 0.000 2.116 266 D HA -0.159 4.508 4.640 0.045 0.000 0.193 266 D C 1.270 177.562 176.300 -0.014 0.000 0.998 266 D CA 2.125 56.115 54.000 -0.017 0.000 0.836 266 D CB -0.358 40.433 40.800 -0.015 0.000 0.951 266 D HN 0.705 nan 8.370 nan 0.000 0.449 267 T N 0.394 114.947 114.554 -0.002 0.000 2.665 267 T HA -0.214 4.163 4.350 0.045 0.000 0.268 267 T C 2.117 176.822 174.700 0.008 0.000 1.035 267 T CA 2.405 64.508 62.100 0.007 0.000 1.151 267 T CB -0.456 68.419 68.868 0.011 0.000 0.862 267 T HN 0.479 nan 8.240 nan 0.000 0.438 268 E N 1.090 121.292 120.200 0.005 0.000 2.072 268 E HA 0.013 4.390 4.350 0.045 0.000 0.191 268 E C 2.047 178.649 176.600 0.003 0.000 0.985 268 E CA 1.273 57.677 56.400 0.007 0.000 0.801 268 E CB -0.925 28.778 29.700 0.005 0.000 0.750 268 E HN 0.600 nan 8.360 nan 0.000 0.452 269 L N -0.571 120.647 121.223 -0.009 0.000 2.046 269 L HA -0.053 4.314 4.340 0.045 0.000 0.208 269 L C 2.600 179.452 176.870 -0.030 0.000 1.077 269 L CA 1.562 56.389 54.840 -0.022 0.000 0.747 269 L CB -0.132 41.906 42.059 -0.034 0.000 0.896 269 L HN 0.377 nan 8.230 nan 0.000 0.432 270 I N -0.095 120.455 120.570 -0.033 0.000 2.546 270 I HA -0.178 4.020 4.170 0.045 0.000 0.255 270 I C 2.693 178.847 176.117 0.061 0.000 1.163 270 I CA 0.808 62.091 61.300 -0.029 0.000 1.457 270 I CB -0.462 37.520 38.000 -0.030 0.000 1.092 270 I HN 0.319 nan 8.210 nan 0.000 0.434 271 A N -0.127 122.721 122.820 0.047 0.000 1.898 271 A HA -0.260 4.087 4.320 0.045 0.000 0.216 271 A C 2.516 180.137 177.584 0.062 0.000 1.181 271 A CA 1.730 53.803 52.037 0.059 0.000 0.620 271 A CB -1.234 17.790 19.000 0.039 0.000 0.819 271 A HN 0.595 nan 8.150 nan 0.000 0.442 272 c N -0.471 118.156 118.600 0.044 0.000 2.446 272 c HA 0.006 4.604 4.570 0.045 0.000 0.277 272 c C 2.579 176.708 174.090 0.065 0.000 1.275 272 c CA 1.085 57.440 56.329 0.042 0.000 1.727 272 c CB -1.591 40.934 42.510 0.024 0.000 2.010 272 c HN 0.577 nan 8.230 nan 0.000 0.486 273 L N 0.417 121.686 121.223 0.077 0.000 2.127 273 L HA -0.118 4.250 4.340 0.045 0.000 0.211 273 L C 2.939 179.956 176.870 0.246 0.000 1.089 273 L CA 1.479 56.404 54.840 0.141 0.000 0.757 273 L CB -0.599 41.508 42.059 0.080 0.000 0.899 273 L HN 0.360 nan 8.230 nan 0.000 0.434 274 R N -0.644 119.994 120.500 0.230 0.000 2.235 274 R HA -0.084 4.284 4.340 0.045 0.000 0.213 274 R C 2.176 178.522 176.300 0.076 0.000 1.059 274 R CA 1.516 57.711 56.100 0.160 0.000 0.997 274 R CB -0.336 30.045 30.300 0.134 0.000 0.884 274 R HN 0.496 nan 8.270 nan 0.000 0.462 275 T N -1.468 113.129 114.554 0.072 0.000 3.088 275 T HA 0.078 4.455 4.350 0.045 0.000 0.259 275 T C 0.926 175.652 174.700 0.043 0.000 1.122 275 T CA 0.037 62.164 62.100 0.045 0.000 1.095 275 T CB 0.127 69.018 68.868 0.039 0.000 0.930 275 T HN -0.136 nan 8.240 nan 0.000 0.508 276 R N 2.797 123.334 120.500 0.062 0.000 2.340 276 R HA 0.386 4.753 4.340 0.045 0.000 0.300 276 R C -2.687 173.638 176.300 0.042 0.000 1.069 276 R CA -2.687 53.450 56.100 0.060 0.000 0.984 276 R CB -0.073 30.276 30.300 0.082 0.000 1.003 276 R HN 0.266 nan 8.270 nan 0.000 0.459 277 P HA -0.037 nan 4.420 nan 0.000 0.265 277 P C 0.343 177.628 177.300 -0.025 0.000 1.187 277 P CA 0.232 63.322 63.100 -0.017 0.000 0.766 277 P CB 0.575 32.273 31.700 -0.003 0.000 0.820 278 A N 2.832 125.553 122.820 -0.165 0.000 1.883 278 A HA -0.278 4.069 4.320 0.045 0.000 0.217 278 A C 2.133 179.670 177.584 -0.078 0.000 1.186 278 A CA 1.908 53.811 52.037 -0.223 0.000 0.624 278 A CB -1.281 17.049 19.000 -1.115 0.000 0.822 278 A HN 0.530 nan 8.150 nan 0.000 0.444 279 Q N 0.094 119.833 119.800 -0.102 0.000 2.291 279 Q HA -0.163 4.204 4.340 0.045 0.000 0.206 279 Q C 1.131 177.228 176.000 0.163 0.000 0.976 279 Q CA 1.898 57.804 55.803 0.171 0.000 0.875 279 Q CB -0.416 28.437 28.738 0.192 0.000 0.927 279 Q HN 0.661 nan 8.270 nan 0.000 0.450 280 D N -0.957 119.516 120.400 0.122 0.000 2.117 280 D HA -0.127 4.540 4.640 0.045 0.000 0.198 280 D C 1.436 177.848 176.300 0.187 0.000 0.982 280 D CA 0.684 54.775 54.000 0.152 0.000 0.828 280 D CB -0.017 40.865 40.800 0.136 0.000 0.967 280 D HN 0.213 nan 8.370 nan 0.000 0.464 281 L N 0.392 121.706 121.223 0.151 0.000 2.005 281 L HA -0.102 4.265 4.340 0.045 0.000 0.207 281 L C 2.574 179.524 176.870 0.133 0.000 1.072 281 L CA 0.912 55.806 54.840 0.091 0.000 0.744 281 L CB -1.159 40.849 42.059 -0.086 0.000 0.895 281 L HN -0.042 nan 8.230 nan 0.000 0.433 282 V N 0.052 120.103 119.914 0.229 0.000 2.324 282 V HA -0.335 3.812 4.120 0.045 0.000 0.250 282 V C 2.211 178.414 176.094 0.181 0.000 1.060 282 V CA 1.885 64.356 62.300 0.285 0.000 1.042 282 V CB -0.669 31.429 31.823 0.459 0.000 0.650 282 V HN 0.414 nan 8.190 nan 0.000 0.450 283 D N -1.190 119.279 120.400 0.115 0.000 2.228 283 D HA -0.154 4.514 4.640 0.045 0.000 0.203 283 D C 1.838 177.947 176.300 -0.318 0.000 0.988 283 D CA 1.382 55.340 54.000 -0.070 0.000 0.864 283 D CB -0.177 40.534 40.800 -0.147 0.000 0.928 283 D HN 0.570 nan 8.370 nan 0.000 0.469 284 H N -0.720 118.349 119.070 -0.002 0.000 2.893 284 H HA 0.080 4.663 4.556 0.045 0.000 0.270 284 H C 1.616 176.934 175.328 -0.017 0.000 1.095 284 H CA 0.245 56.243 56.048 -0.083 0.000 1.186 284 H CB 0.683 30.510 29.762 0.108 0.000 1.562 284 H HN 0.409 nan 8.280 nan 0.000 0.536 285 E N 0.253 120.560 120.200 0.177 0.000 2.118 285 E HA -0.201 4.176 4.350 0.045 0.000 0.195 285 E C 1.644 178.441 176.600 0.329 0.000 0.992 285 E CA 0.886 57.506 56.400 0.367 0.000 0.804 285 E CB -0.248 29.657 29.700 0.343 0.000 0.741 285 E HN 0.236 nan 8.360 nan 0.000 0.458 286 W N 1.937 123.170 121.300 -0.112 0.000 3.047 286 W HA 0.098 4.785 4.660 0.045 0.000 0.250 286 W C 0.590 177.105 176.519 -0.008 0.000 1.314 286 W CA 0.485 57.749 57.345 -0.136 0.000 1.540 286 W CB -0.271 29.020 29.460 -0.282 0.000 1.127 286 W HN 0.258 nan 8.180 nan 0.000 0.679 287 H N -0.834 118.357 119.070 0.201 0.000 2.533 287 H HA 0.018 4.601 4.556 0.045 0.000 0.271 287 H C 1.837 177.210 175.328 0.076 0.000 1.000 287 H CA 0.712 56.812 56.048 0.086 0.000 1.149 287 H CB 0.271 30.116 29.762 0.138 0.000 1.375 287 H HN 0.035 nan 8.280 nan 0.000 0.582 288 V N -1.912 118.115 119.914 0.188 0.000 3.621 288 V HA 0.181 4.329 4.120 0.045 0.000 0.285 288 V C 0.546 176.649 176.094 0.016 0.000 1.346 288 V CA -0.216 62.135 62.300 0.085 0.000 1.104 288 V CB -0.378 31.477 31.823 0.053 0.000 0.913 288 V HN 0.123 nan 8.190 nan 0.000 0.432 289 L N 1.899 123.147 121.223 0.042 0.000 2.490 289 L HA 0.188 4.555 4.340 0.045 0.000 0.274 289 L C -0.568 176.304 176.870 0.004 0.000 1.201 289 L CA -0.894 53.957 54.840 0.019 0.000 0.869 289 L CB 0.373 42.469 42.059 0.061 0.000 1.123 289 L HN 0.142 nan 8.230 nan 0.000 0.484 290 P HA -0.099 nan 4.420 nan 0.000 0.217 290 P C -0.435 176.859 177.300 -0.009 0.000 1.150 290 P CA 1.167 64.262 63.100 -0.009 0.000 0.832 290 P CB 0.337 32.030 31.700 -0.010 0.000 0.787 291 Q N -1.664 118.132 119.800 -0.007 0.000 2.484 291 Q HA 0.319 4.686 4.340 0.045 0.000 0.285 291 Q C -0.584 175.408 176.000 -0.014 0.000 1.097 291 Q CA -0.785 55.012 55.803 -0.010 0.000 0.802 291 Q CB 1.269 30.005 28.738 -0.004 0.000 1.444 291 Q HN -0.052 nan 8.270 nan 0.000 0.429 292 E N 0.962 121.150 120.200 -0.021 0.000 2.417 292 E HA 0.273 4.650 4.350 0.045 0.000 0.261 292 E C -0.952 175.649 176.600 0.001 0.000 1.000 292 E CA 0.191 56.576 56.400 -0.025 0.000 0.919 292 E CB 0.341 30.025 29.700 -0.025 0.000 0.955 292 E HN 0.619 nan 8.360 nan 0.000 0.455 293 S N 3.639 119.350 115.700 0.018 0.000 2.643 293 S HA 0.665 5.163 4.470 0.045 0.000 0.270 293 S C -0.477 174.162 174.600 0.066 0.000 1.166 293 S CA -1.039 57.180 58.200 0.032 0.000 0.815 293 S CB 0.810 64.018 63.200 0.013 0.000 1.139 293 S HN 0.548 nan 8.310 nan 0.000 0.472 294 I N -3.220 117.378 120.570 0.047 0.000 2.934 294 I HA 0.808 5.005 4.170 0.045 0.000 0.306 294 I C -0.486 175.603 176.117 -0.046 0.000 1.110 294 I CA -1.182 60.156 61.300 0.063 0.000 1.019 294 I CB 1.414 39.497 38.000 0.139 0.000 1.227 294 I HN 0.750 nan 8.210 nan 0.000 0.434 295 F N 1.581 121.302 119.950 -0.382 0.000 3.071 295 F HA -0.191 4.363 4.527 0.045 0.000 0.295 295 F C -0.149 175.055 175.800 -0.994 0.000 0.919 295 F CA 0.784 58.291 58.000 -0.822 0.000 1.050 295 F CB -0.820 37.640 39.000 -0.899 0.000 1.040 295 F HN 0.769 nan 8.300 nan 0.000 0.692 296 R N 0.607 120.527 120.500 -0.966 0.000 2.604 296 R HA 0.730 5.098 4.340 0.045 0.000 0.281 296 R C -1.605 174.188 176.300 -0.845 0.000 1.020 296 R CA -0.408 55.249 56.100 -0.738 0.000 0.899 296 R CB 1.111 31.276 30.300 -0.226 0.000 1.205 296 R HN -0.033 nan 8.270 nan 0.000 0.450 297 F N 0.909 120.944 119.950 0.142 0.000 2.565 297 F HA 0.382 4.936 4.527 0.045 0.000 0.313 297 F C 1.042 176.862 175.800 0.034 0.000 1.091 297 F CA -0.858 57.207 58.000 0.107 0.000 0.915 297 F CB 2.429 41.574 39.000 0.241 0.000 1.208 297 F HN 0.467 nan 8.300 nan 0.000 0.453 298 S N 0.831 116.612 115.700 0.135 0.000 2.357 298 S HA 0.026 4.524 4.470 0.045 0.000 0.221 298 S C -0.005 174.266 174.600 -0.548 0.000 1.031 298 S CA 1.104 59.163 58.200 -0.234 0.000 0.982 298 S CB -0.168 62.879 63.200 -0.255 0.000 0.853 298 S HN 0.357 nan 8.310 nan 0.000 0.458 299 F N 1.672 121.745 119.950 0.204 0.000 2.382 299 F HA 0.559 5.113 4.527 0.046 0.000 0.361 299 F C -0.021 175.833 175.800 0.090 0.000 1.109 299 F CA -0.967 57.143 58.000 0.184 0.000 1.031 299 F CB 1.277 40.418 39.000 0.235 0.000 1.234 299 F HN -0.095 nan 8.300 nan 0.000 0.445 300 V N 0.706 120.606 119.914 -0.024 0.000 3.158 300 V HA 0.770 4.918 4.120 0.045 0.000 0.311 300 V C -2.909 172.826 176.094 -0.599 0.000 1.181 300 V CA -3.334 58.603 62.300 -0.606 0.000 1.054 300 V CB 2.043 33.705 31.823 -0.268 0.000 1.085 300 V HN 0.235 nan 8.190 nan 0.000 0.446 301 P HA 0.196 nan 4.420 nan 0.000 0.265 301 P C -0.824 176.356 177.300 -0.199 0.000 1.187 301 P CA 0.420 63.260 63.100 -0.434 0.000 0.766 301 P CB 0.678 32.046 31.700 -0.554 0.000 0.820 302 V N 4.788 124.660 119.914 -0.070 0.000 2.555 302 V HA 0.234 4.381 4.120 0.045 0.000 0.302 302 V C -0.393 175.693 176.094 -0.012 0.000 1.038 302 V CA -0.924 61.359 62.300 -0.029 0.000 0.887 302 V CB 2.092 33.927 31.823 0.020 0.000 0.991 302 V HN 0.137 nan 8.190 nan 0.000 0.434 303 V N 7.654 127.559 119.914 -0.015 0.000 2.359 303 V HA 0.136 4.283 4.120 0.045 0.000 0.248 303 V C 0.937 177.043 176.094 0.019 0.000 1.091 303 V CA 0.542 62.843 62.300 0.003 0.000 1.103 303 V CB -0.001 31.816 31.823 -0.010 0.000 1.176 303 V HN 1.060 nan 8.190 nan 0.000 0.488 304 D N 2.777 123.203 120.400 0.042 0.000 2.367 304 D HA 0.114 4.781 4.640 0.045 0.000 0.207 304 D C 1.549 177.874 176.300 0.042 0.000 1.034 304 D CA 0.690 54.718 54.000 0.046 0.000 0.861 304 D CB 0.353 41.194 40.800 0.069 0.000 0.943 304 D HN 0.688 nan 8.370 nan 0.000 0.515 305 G N 0.691 109.516 108.800 0.041 0.000 2.155 305 G HA2 -0.321 3.666 3.960 0.045 0.000 0.257 305 G HA3 -0.321 3.666 3.960 0.045 0.000 0.257 305 G C 0.366 175.287 174.900 0.034 0.000 0.983 305 G CA 0.798 45.916 45.100 0.030 0.000 0.676 305 G HN 0.554 nan 8.290 nan 0.000 0.528 306 D N -1.710 118.725 120.400 0.059 0.000 3.028 306 D HA 0.240 4.907 4.640 0.045 0.000 0.205 306 D C 1.731 178.075 176.300 0.073 0.000 1.489 306 D CA 0.366 54.402 54.000 0.061 0.000 1.452 306 D CB -0.631 40.215 40.800 0.078 0.000 1.052 306 D HN 0.055 nan 8.370 nan 0.000 0.221 307 F N 1.375 121.332 119.950 0.011 0.000 2.043 307 F HA 0.050 4.604 4.527 0.045 0.000 0.297 307 F C 0.693 176.492 175.800 -0.003 0.000 1.118 307 F CA 1.418 59.423 58.000 0.008 0.000 1.202 307 F CB -0.036 38.965 39.000 0.003 0.000 0.965 307 F HN 0.007 nan 8.300 nan 0.000 0.482 308 L N 0.884 122.265 121.223 0.264 0.000 2.255 308 L HA 0.179 4.547 4.340 0.045 0.000 0.289 308 L C 1.375 178.283 176.870 0.064 0.000 1.046 308 L CA -0.058 54.862 54.840 0.135 0.000 0.816 308 L CB 1.192 43.321 42.059 0.116 0.000 1.197 308 L HN 0.146 nan 8.230 nan 0.000 0.427 309 S N 0.359 116.075 115.700 0.027 0.000 2.481 309 S HA -0.005 4.492 4.470 0.045 0.000 0.231 309 S C 0.415 175.022 174.600 0.011 0.000 0.996 309 S CA 0.381 58.589 58.200 0.013 0.000 0.942 309 S CB 0.093 63.290 63.200 -0.006 0.000 0.768 309 S HN 0.738 nan 8.310 nan 0.000 0.520 310 D N 0.112 120.520 120.400 0.014 0.000 2.768 310 D HA 0.282 4.950 4.640 0.045 0.000 0.327 310 D C -0.884 175.420 176.300 0.006 0.000 1.302 310 D CA 0.061 54.066 54.000 0.007 0.000 0.897 310 D CB 1.258 42.060 40.800 0.003 0.000 1.420 310 D HN 0.207 nan 8.370 nan 0.000 0.494 311 T N -0.851 113.700 114.554 -0.005 0.000 2.932 311 T HA 0.231 4.608 4.350 0.045 0.000 0.312 311 T C -1.807 172.886 174.700 -0.012 0.000 1.071 311 T CA -0.647 61.443 62.100 -0.017 0.000 1.128 311 T CB 0.935 69.788 68.868 -0.025 0.000 0.984 311 T HN 0.110 nan 8.240 nan 0.000 0.549 312 P HA -0.111 nan 4.420 nan 0.000 0.216 312 P C 1.632 178.922 177.300 -0.016 0.000 1.150 312 P CA 1.003 64.087 63.100 -0.026 0.000 0.843 312 P CB 0.080 31.735 31.700 -0.075 0.000 0.787 313 E N -0.636 119.546 120.200 -0.031 0.000 2.038 313 E HA -0.216 4.161 4.350 0.045 0.000 0.195 313 E C 2.000 178.604 176.600 0.006 0.000 1.000 313 E CA 1.544 57.933 56.400 -0.018 0.000 0.803 313 E CB -0.485 29.199 29.700 -0.027 0.000 0.750 313 E HN 0.097 nan 8.360 nan 0.000 0.448 314 A N 0.969 123.792 122.820 0.005 0.000 1.902 314 A HA -0.153 4.194 4.320 0.045 0.000 0.217 314 A C 2.230 179.832 177.584 0.032 0.000 1.181 314 A CA 1.058 53.102 52.037 0.013 0.000 0.623 314 A CB -0.589 18.413 19.000 0.004 0.000 0.818 314 A HN 0.188 nan 8.150 nan 0.000 0.443 315 L N -0.081 121.167 121.223 0.043 0.000 2.109 315 L HA -0.113 4.254 4.340 0.045 0.000 0.207 315 L C 2.570 179.538 176.870 0.163 0.000 1.086 315 L CA 1.460 56.347 54.840 0.078 0.000 0.760 315 L CB -0.611 41.495 42.059 0.079 0.000 0.910 315 L HN 0.671 nan 8.230 nan 0.000 0.437 316 I N -2.798 117.865 120.570 0.156 0.000 2.761 316 I HA -0.107 4.090 4.170 0.045 0.000 0.261 316 I C 1.813 178.055 176.117 0.207 0.000 1.198 316 I CA 1.133 62.569 61.300 0.228 0.000 1.482 316 I CB -0.391 37.648 38.000 0.065 0.000 1.100 316 I HN 0.186 nan 8.210 nan 0.000 0.445 317 N N 1.591 120.357 118.700 0.111 0.000 2.331 317 N HA -0.092 4.675 4.740 0.045 0.000 0.180 317 N C 1.761 177.313 175.510 0.069 0.000 1.019 317 N CA 2.033 55.131 53.050 0.080 0.000 0.881 317 N CB -0.228 38.285 38.487 0.044 0.000 0.972 317 N HN 0.679 nan 8.380 nan 0.000 0.435 318 T N -4.005 110.581 114.554 0.054 0.000 3.003 318 T HA 0.311 4.689 4.350 0.045 0.000 0.261 318 T C 1.005 175.660 174.700 -0.076 0.000 1.003 318 T CA -0.309 61.790 62.100 -0.002 0.000 0.917 318 T CB 0.114 68.974 68.868 -0.012 0.000 1.084 318 T HN 0.038 nan 8.240 nan 0.000 0.522 319 G N 0.854 109.587 108.800 -0.112 0.000 2.636 319 G HA2 0.393 4.380 3.960 0.045 0.000 0.246 319 G HA3 0.393 4.380 3.960 0.045 0.000 0.246 319 G C -1.041 173.449 174.900 -0.684 0.000 1.216 319 G CA -0.331 44.465 45.100 -0.507 0.000 0.854 319 G HN 0.289 nan 8.290 nan 0.000 0.572 320 D N -0.005 119.915 120.400 -0.800 0.000 2.414 320 D HA 0.339 5.006 4.640 0.045 0.000 0.232 320 D C -0.604 175.319 176.300 -0.628 0.000 1.070 320 D CA -0.645 53.043 54.000 -0.521 0.000 0.839 320 D CB 0.869 41.506 40.800 -0.271 0.000 1.079 320 D HN 0.091 nan 8.370 nan 0.000 0.521 321 F N 2.201 122.152 119.950 0.001 0.000 2.791 321 F HA 0.174 4.728 4.527 0.046 0.000 0.308 321 F C 2.073 177.876 175.800 0.005 0.000 1.138 321 F CA -0.481 57.522 58.000 0.006 0.000 1.294 321 F CB 0.469 39.480 39.000 0.019 0.000 0.975 321 F HN 0.243 nan 8.300 nan 0.000 0.512 322 Q N 0.813 120.666 119.800 0.089 0.000 2.096 322 Q HA -0.217 4.150 4.340 0.045 0.000 0.208 322 Q C 1.469 177.505 176.000 0.061 0.000 0.993 322 Q CA 2.163 58.002 55.803 0.060 0.000 0.862 322 Q CB -0.755 27.992 28.738 0.015 0.000 0.915 322 Q HN 0.679 nan 8.270 nan 0.000 0.416 323 D N 0.330 120.760 120.400 0.049 0.000 2.370 323 D HA 0.291 4.958 4.640 0.045 0.000 0.230 323 D C -0.060 176.271 176.300 0.051 0.000 1.143 323 D CA -0.145 53.876 54.000 0.035 0.000 0.834 323 D CB -0.140 40.665 40.800 0.008 0.000 0.944 323 D HN -0.068 nan 8.370 nan 0.000 0.504 324 L N 0.214 121.494 121.223 0.096 0.000 2.307 324 L HA 0.553 4.920 4.340 0.045 0.000 0.284 324 L C -0.681 176.260 176.870 0.118 0.000 1.023 324 L CA -0.911 53.998 54.840 0.114 0.000 0.810 324 L CB 2.002 44.166 42.059 0.174 0.000 1.231 324 L HN 0.123 nan 8.230 nan 0.000 0.423 325 Q N 3.244 123.128 119.800 0.139 0.000 2.312 325 Q HA 0.800 5.168 4.340 0.045 0.000 0.263 325 Q C -1.418 174.836 176.000 0.424 0.000 0.995 325 Q CA -0.520 55.422 55.803 0.231 0.000 0.853 325 Q CB 2.651 31.473 28.738 0.140 0.000 1.300 325 Q HN 0.462 nan 8.270 nan 0.000 0.448 326 V N 2.311 122.460 119.914 0.392 0.000 2.808 326 V HA 0.470 4.617 4.120 0.045 0.000 0.308 326 V C -1.507 174.531 176.094 -0.094 0.000 1.099 326 V CA -0.859 61.561 62.300 0.200 0.000 0.920 326 V CB 1.951 33.798 31.823 0.040 0.000 1.014 326 V HN 0.618 nan 8.190 nan 0.000 0.425 327 L N 6.751 127.674 121.223 -0.501 0.000 2.313 327 L HA 0.925 5.292 4.340 0.045 0.000 0.283 327 L C -0.482 176.245 176.870 -0.238 0.000 1.013 327 L CA -0.137 54.333 54.840 -0.616 0.000 0.816 327 L CB 1.666 42.902 42.059 -1.371 0.000 1.236 327 L HN 0.642 nan 8.230 nan 0.000 0.419 328 V N 1.951 121.807 119.914 -0.097 0.000 3.007 328 V HA 1.122 5.269 4.120 0.045 0.000 0.311 328 V C -0.232 175.671 176.094 -0.319 0.000 1.120 328 V CA 0.176 62.413 62.300 -0.105 0.000 0.980 328 V CB 1.161 32.886 31.823 -0.164 0.000 1.033 328 V HN 1.093 nan 8.190 nan 0.000 0.429 329 G N 0.756 109.210 108.800 -0.577 0.000 2.495 329 G HA2 0.800 4.787 3.960 0.045 0.000 0.294 329 G HA3 0.800 4.787 3.960 0.045 0.000 0.294 329 G C -1.206 173.369 174.900 -0.542 0.000 1.397 329 G CA 0.045 44.375 45.100 -1.284 0.000 0.790 329 G HN 2.076 nan 8.290 nan 0.000 0.486 330 V N -2.312 117.413 119.914 -0.316 0.000 3.160 330 V HA 0.922 5.069 4.120 0.045 0.000 0.310 330 V C 0.345 176.599 176.094 0.267 0.000 1.181 330 V CA -0.391 61.939 62.300 0.050 0.000 1.047 330 V CB 1.128 32.966 31.823 0.025 0.000 1.068 330 V HN 1.817 nan 8.190 nan 0.000 0.441 331 V N -0.406 119.688 119.914 0.300 0.000 3.109 331 V HA 0.559 4.706 4.120 0.045 0.000 0.317 331 V C 1.404 177.683 176.094 0.307 0.000 1.074 331 V CA 0.092 62.623 62.300 0.386 0.000 1.033 331 V CB 1.220 33.259 31.823 0.359 0.000 1.111 331 V HN 1.109 nan 8.190 nan 0.000 0.458 332 K N -0.386 120.200 120.400 0.309 0.000 2.148 332 K HA -0.039 4.308 4.320 0.045 0.000 0.204 332 K C 0.322 177.049 176.600 0.212 0.000 1.050 332 K CA 1.684 58.111 56.287 0.233 0.000 0.942 332 K CB 0.085 32.704 32.500 0.198 0.000 0.724 332 K HN 0.896 nan 8.250 nan 0.000 0.446 333 D N 1.278 121.812 120.400 0.223 0.000 2.749 333 D HA 0.031 4.698 4.640 0.045 0.000 0.338 333 D C 0.093 176.539 176.300 0.243 0.000 1.236 333 D CA -0.090 54.037 54.000 0.211 0.000 0.845 333 D CB 1.276 42.180 40.800 0.174 0.000 1.080 333 D HN 0.132 nan 8.370 nan 0.000 0.497 334 E N 0.512 120.868 120.200 0.260 0.000 2.160 334 E HA -0.132 4.245 4.350 0.045 0.000 0.195 334 E C 1.922 178.755 176.600 0.388 0.000 0.991 334 E CA 0.787 57.385 56.400 0.331 0.000 0.810 334 E CB 0.160 30.021 29.700 0.269 0.000 0.742 334 E HN 0.438 nan 8.360 nan 0.000 0.466 335 G N 0.719 109.704 108.800 0.308 0.000 2.662 335 G HA2 -0.140 3.847 3.960 0.045 0.000 0.212 335 G HA3 -0.140 3.847 3.960 0.045 0.000 0.212 335 G C 1.698 176.824 174.900 0.377 0.000 1.141 335 G CA 0.725 46.032 45.100 0.345 0.000 0.797 335 G HN 0.358 nan 8.290 nan 0.000 0.531 336 S N 0.095 115.963 115.700 0.280 0.000 2.368 336 S HA -0.223 4.274 4.470 0.045 0.000 0.225 336 S C 2.120 176.776 174.600 0.094 0.000 1.030 336 S CA 1.272 59.601 58.200 0.215 0.000 0.999 336 S CB -0.772 62.474 63.200 0.077 0.000 0.844 336 S HN 0.399 nan 8.310 nan 0.000 0.459 337 Y N 1.699 121.900 120.300 -0.165 0.000 2.193 337 Y HA -0.154 4.423 4.550 0.045 0.000 0.285 337 Y C 1.623 177.362 175.900 -0.268 0.000 1.166 337 Y CA 1.809 59.646 58.100 -0.438 0.000 1.181 337 Y CB -0.460 37.624 38.460 -0.627 0.000 0.976 337 Y HN 0.308 nan 8.280 nan 0.000 0.520 338 F N -1.132 118.894 119.950 0.127 0.000 2.615 338 F HA -0.035 4.519 4.527 0.044 0.000 0.297 338 F C 1.896 177.767 175.800 0.117 0.000 1.124 338 F CA 0.430 58.495 58.000 0.109 0.000 1.451 338 F CB -0.361 38.651 39.000 0.020 0.000 1.103 338 F HN -0.017 nan 8.300 nan 0.000 0.569 339 L N 0.026 121.367 121.223 0.196 0.000 2.046 339 L HA -0.149 4.218 4.340 0.045 0.000 0.208 339 L C 2.463 179.416 176.870 0.137 0.000 1.077 339 L CA 1.199 56.025 54.840 -0.024 0.000 0.747 339 L CB -0.942 40.877 42.059 -0.399 0.000 0.896 339 L HN 0.172 nan 8.230 nan 0.000 0.432 340 V N -4.382 115.672 119.914 0.234 0.000 3.383 340 V HA -0.197 3.950 4.120 0.045 0.000 0.272 340 V C 1.125 177.266 176.094 0.079 0.000 1.181 340 V CA 1.063 63.503 62.300 0.233 0.000 1.171 340 V CB -1.195 30.769 31.823 0.236 0.000 0.800 340 V HN 0.351 nan 8.190 nan 0.000 0.515 341 Y N 1.005 121.387 120.300 0.138 0.000 2.681 341 Y HA 0.677 5.254 4.550 0.045 0.000 0.267 341 Y C 1.610 177.610 175.900 0.166 0.000 1.166 341 Y CA 0.257 58.447 58.100 0.150 0.000 1.209 341 Y CB 1.047 39.600 38.460 0.155 0.000 1.161 341 Y HN 0.369 nan 8.280 nan 0.000 0.534 342 G N -1.113 107.834 108.800 0.245 0.000 4.226 342 G HA2 -0.046 3.942 3.960 0.045 0.000 0.220 342 G HA3 -0.046 3.942 3.960 0.045 0.000 0.220 342 G C -0.844 174.140 174.900 0.139 0.000 0.817 342 G CA -0.400 44.806 45.100 0.177 0.000 0.879 342 G HN -0.054 nan 8.290 nan 0.000 0.669 343 V N 2.712 122.722 119.914 0.160 0.000 2.350 343 V HA 0.453 4.600 4.120 0.045 0.000 0.276 343 V C -2.072 174.208 176.094 0.310 0.000 1.028 343 V CA -1.705 60.705 62.300 0.184 0.000 0.860 343 V CB 1.512 33.374 31.823 0.065 0.000 0.990 343 V HN 0.034 nan 8.190 nan 0.000 0.453 344 P HA 0.310 nan 4.420 nan 0.000 0.268 344 P C 0.978 178.392 177.300 0.190 0.000 1.204 344 P CA 1.075 64.282 63.100 0.178 0.000 0.768 344 P CB 0.851 32.613 31.700 0.104 0.000 0.842 345 G N 1.062 109.901 108.800 0.065 0.000 2.213 345 G HA2 -0.215 3.772 3.960 0.045 0.000 0.226 345 G HA3 -0.215 3.772 3.960 0.045 0.000 0.226 345 G C -0.179 174.526 174.900 -0.325 0.000 0.992 345 G CA -0.580 44.432 45.100 -0.147 0.000 0.632 345 G HN 0.397 nan 8.290 nan 0.000 0.511 346 F N 1.475 121.436 119.950 0.019 0.000 2.443 346 F HA 0.771 5.325 4.527 0.045 0.000 0.335 346 F C 0.569 176.456 175.800 0.146 0.000 1.104 346 F CA -0.111 57.917 58.000 0.048 0.000 1.013 346 F CB 2.326 41.396 39.000 0.116 0.000 1.136 346 F HN 0.191 nan 8.300 nan 0.000 0.470 347 S N 2.096 118.022 115.700 0.376 0.000 2.535 347 S HA 0.228 4.725 4.470 0.045 0.000 0.272 347 S C 0.282 175.158 174.600 0.460 0.000 1.149 347 S CA -0.899 57.516 58.200 0.359 0.000 0.888 347 S CB 1.228 64.547 63.200 0.197 0.000 1.110 347 S HN 0.787 nan 8.310 nan 0.000 0.463 348 K N 1.815 122.405 120.400 0.318 0.000 2.362 348 K HA 0.003 4.350 4.320 0.045 0.000 0.200 348 K C 0.111 176.733 176.600 0.037 0.000 1.046 348 K CA 1.548 57.923 56.287 0.146 0.000 0.952 348 K CB -0.120 32.232 32.500 -0.246 0.000 0.753 348 K HN 0.478 nan 8.250 nan 0.000 0.466 349 D N 0.736 121.152 120.400 0.025 0.000 2.349 349 D HA 0.026 4.693 4.640 0.045 0.000 0.214 349 D C -0.335 175.991 176.300 0.044 0.000 1.063 349 D CA 0.224 54.209 54.000 -0.024 0.000 0.847 349 D CB 0.139 40.906 40.800 -0.055 0.000 0.933 349 D HN 0.507 nan 8.370 nan 0.000 0.513 350 N N -1.375 117.392 118.700 0.111 0.000 2.902 350 N HA 0.123 4.890 4.740 0.045 0.000 0.268 350 N C 0.126 175.707 175.510 0.118 0.000 1.450 350 N CA -0.626 52.471 53.050 0.077 0.000 0.819 350 N CB 0.779 39.269 38.487 0.005 0.000 1.540 350 N HN -0.350 nan 8.380 nan 0.000 0.545 351 E N -0.468 119.736 120.200 0.006 0.000 2.511 351 E HA 0.031 4.409 4.350 0.045 0.000 0.196 351 E C -0.552 175.729 176.600 -0.531 0.000 1.066 351 E CA 0.231 56.574 56.400 -0.096 0.000 0.871 351 E CB -0.317 29.358 29.700 -0.041 0.000 0.863 351 E HN 0.560 nan 8.360 nan 0.000 0.520 352 S N 0.493 115.904 115.700 -0.482 0.000 3.628 352 S HA -0.181 4.316 4.470 0.045 0.000 0.373 352 S C 0.066 174.230 174.600 -0.727 0.000 0.968 352 S CA 0.194 57.957 58.200 -0.728 0.000 1.215 352 S CB -1.383 61.132 63.200 -1.142 0.000 0.912 352 S HN 0.322 nan 8.310 nan 0.000 0.495 353 L N 2.058 123.013 121.223 -0.448 0.000 2.295 353 L HA 0.456 4.824 4.340 0.045 0.000 0.288 353 L C 0.766 177.447 176.870 -0.315 0.000 1.079 353 L CA -0.265 54.374 54.840 -0.336 0.000 0.830 353 L CB 0.114 42.047 42.059 -0.209 0.000 1.200 353 L HN 0.471 nan 8.230 nan 0.000 0.438 354 I N 0.331 120.703 120.570 -0.330 0.000 2.793 354 I HA 0.604 4.801 4.170 0.045 0.000 0.313 354 I C 0.659 176.708 176.117 -0.113 0.000 0.998 354 I CA -0.563 60.584 61.300 -0.255 0.000 1.140 354 I CB 1.776 39.591 38.000 -0.309 0.000 1.327 354 I HN 0.519 nan 8.210 nan 0.000 0.491 355 S N 2.457 118.124 115.700 -0.055 0.000 2.669 355 S HA 0.370 4.867 4.470 0.045 0.000 0.270 355 S C 0.930 175.562 174.600 0.054 0.000 1.225 355 S CA -0.529 57.666 58.200 -0.009 0.000 0.991 355 S CB 1.560 64.760 63.200 0.000 0.000 0.987 355 S HN 0.845 nan 8.310 nan 0.000 0.552 356 R N 0.664 121.200 120.500 0.059 0.000 2.103 356 R HA -0.121 4.246 4.340 0.045 0.000 0.242 356 R C 2.347 178.743 176.300 0.160 0.000 1.142 356 R CA 1.905 58.079 56.100 0.123 0.000 0.960 356 R CB -1.221 29.126 30.300 0.078 0.000 0.858 356 R HN 0.840 nan 8.270 nan 0.000 0.439 357 A N 0.200 123.077 122.820 0.095 0.000 1.902 357 A HA -0.198 4.149 4.320 0.045 0.000 0.217 357 A C 2.028 179.663 177.584 0.085 0.000 1.181 357 A CA 1.568 53.651 52.037 0.075 0.000 0.623 357 A CB -0.467 18.561 19.000 0.047 0.000 0.818 357 A HN 0.532 nan 8.150 nan 0.000 0.443 358 Q N -1.938 117.921 119.800 0.099 0.000 2.224 358 Q HA -0.082 4.285 4.340 0.045 0.000 0.203 358 Q C 1.814 177.939 176.000 0.209 0.000 0.970 358 Q CA 1.281 57.156 55.803 0.120 0.000 0.865 358 Q CB -0.230 28.555 28.738 0.078 0.000 0.922 358 Q HN 0.834 nan 8.270 nan 0.000 0.445 359 F N 0.965 120.958 119.950 0.071 0.000 2.128 359 F HA -0.132 4.425 4.527 0.052 0.000 0.295 359 F C 1.727 177.574 175.800 0.077 0.000 1.100 359 F CA 0.821 58.875 58.000 0.091 0.000 1.260 359 F CB 0.130 39.167 39.000 0.060 0.000 1.009 359 F HN -0.060 nan 8.300 nan 0.000 0.476 360 L N 0.276 121.421 121.223 -0.131 0.000 2.131 360 L HA -0.170 4.197 4.340 0.045 0.000 0.210 360 L C 2.792 179.583 176.870 -0.132 0.000 1.092 360 L CA 1.112 55.822 54.840 -0.217 0.000 0.759 360 L CB -1.469 40.554 42.059 -0.061 0.000 0.903 360 L HN 0.282 nan 8.230 nan 0.000 0.435 361 A N 0.674 123.473 122.820 -0.035 0.000 1.897 361 A HA -0.026 4.321 4.320 0.045 0.000 0.215 361 A C 2.442 180.027 177.584 0.001 0.000 1.181 361 A CA 1.390 53.426 52.037 -0.002 0.000 0.620 361 A CB -1.108 17.913 19.000 0.036 0.000 0.821 361 A HN 0.401 nan 8.150 nan 0.000 0.443 362 G N -0.464 108.355 108.800 0.033 0.000 2.450 362 G HA2 -0.132 3.855 3.960 0.045 0.000 0.220 362 G HA3 -0.132 3.855 3.960 0.045 0.000 0.220 362 G C 1.468 176.346 174.900 -0.036 0.000 1.130 362 G CA 1.298 46.428 45.100 0.050 0.000 0.760 362 G HN 0.311 nan 8.290 nan 0.000 0.557 363 V N 0.965 120.788 119.914 -0.152 0.000 2.358 363 V HA -0.103 4.044 4.120 0.045 0.000 0.246 363 V C 2.908 178.961 176.094 -0.069 0.000 1.047 363 V CA 1.507 63.708 62.300 -0.164 0.000 1.035 363 V CB -0.349 31.276 31.823 -0.330 0.000 0.658 363 V HN 0.228 nan 8.190 nan 0.000 0.452 364 R N -0.026 120.439 120.500 -0.058 0.000 2.159 364 R HA -0.008 4.360 4.340 0.045 0.000 0.237 364 R C 1.946 178.243 176.300 -0.004 0.000 1.131 364 R CA 1.315 57.401 56.100 -0.023 0.000 0.982 364 R CB -0.795 29.494 30.300 -0.019 0.000 0.868 364 R HN 0.482 nan 8.270 nan 0.000 0.453 365 I N -0.870 119.700 120.570 -0.000 0.000 2.703 365 I HA -0.009 4.189 4.170 0.045 0.000 0.259 365 I C 2.077 178.208 176.117 0.024 0.000 1.151 365 I CA 1.092 62.402 61.300 0.016 0.000 1.470 365 I CB -0.276 37.741 38.000 0.029 0.000 1.112 365 I HN 0.156 nan 8.210 nan 0.000 0.437 366 G N 0.344 109.156 108.800 0.020 0.000 2.683 366 G HA2 0.067 4.054 3.960 0.045 0.000 0.213 366 G HA3 0.067 4.054 3.960 0.045 0.000 0.213 366 G C 0.743 175.683 174.900 0.067 0.000 1.142 366 G CA 0.283 45.402 45.100 0.032 0.000 0.793 366 G HN 0.202 nan 8.290 nan 0.000 0.534 367 V N 1.556 121.498 119.914 0.045 0.000 2.361 367 V HA 0.216 4.363 4.120 0.045 0.000 0.252 367 V C -1.779 174.339 176.094 0.040 0.000 0.986 367 V CA -1.028 61.298 62.300 0.044 0.000 1.033 367 V CB 1.561 33.387 31.823 0.005 0.000 1.282 367 V HN -0.001 nan 8.190 nan 0.000 0.514 368 P HA -0.154 nan 4.420 nan 0.000 0.225 368 P C 1.497 178.812 177.300 0.025 0.000 1.148 368 P CA 0.968 64.085 63.100 0.028 0.000 0.779 368 P CB 0.270 31.985 31.700 0.025 0.000 0.780 369 Q N -0.660 119.164 119.800 0.040 0.000 2.425 369 Q HA 0.147 4.514 4.340 0.045 0.000 0.204 369 Q C 0.614 176.621 176.000 0.012 0.000 0.933 369 Q CA 0.143 55.962 55.803 0.028 0.000 0.939 369 Q CB -0.457 28.308 28.738 0.045 0.000 1.044 369 Q HN 0.036 nan 8.270 nan 0.000 0.513 370 A N 2.313 125.139 122.820 0.010 0.000 2.440 370 A HA 0.367 4.715 4.320 0.045 0.000 0.251 370 A C 0.497 178.076 177.584 -0.007 0.000 1.089 370 A CA 0.092 52.127 52.037 -0.003 0.000 0.779 370 A CB 0.271 19.271 19.000 -0.000 0.000 1.022 370 A HN 0.512 nan 8.150 nan 0.000 0.492 371 S N 1.951 117.642 115.700 -0.015 0.000 2.596 371 S HA 0.080 4.577 4.470 0.045 0.000 0.260 371 S C 0.491 175.089 174.600 -0.004 0.000 1.336 371 S CA 0.110 58.302 58.200 -0.012 0.000 0.993 371 S CB 0.471 63.659 63.200 -0.020 0.000 0.923 371 S HN 0.640 nan 8.310 nan 0.000 0.567 372 D N 0.163 120.563 120.400 -0.000 0.000 2.133 372 D HA -0.112 4.555 4.640 0.045 0.000 0.195 372 D C 1.675 177.986 176.300 0.017 0.000 0.997 372 D CA 1.189 55.193 54.000 0.007 0.000 0.840 372 D CB -0.377 40.428 40.800 0.008 0.000 0.947 372 D HN 0.491 nan 8.370 nan 0.000 0.452 373 L N 0.336 121.569 121.223 0.017 0.000 2.179 373 L HA 0.077 4.444 4.340 0.045 0.000 0.208 373 L C 2.047 178.947 176.870 0.049 0.000 1.096 373 L CA 1.371 56.232 54.840 0.034 0.000 0.779 373 L CB -0.505 41.570 42.059 0.027 0.000 0.922 373 L HN -0.052 nan 8.230 nan 0.000 0.443 374 A N -0.301 122.531 122.820 0.021 0.000 1.898 374 A HA -0.067 4.281 4.320 0.045 0.000 0.216 374 A C 2.444 180.061 177.584 0.055 0.000 1.181 374 A CA 1.598 53.647 52.037 0.021 0.000 0.620 374 A CB -1.094 17.885 19.000 -0.036 0.000 0.819 374 A HN 0.533 nan 8.150 nan 0.000 0.442 375 A N -0.508 122.331 122.820 0.032 0.000 1.933 375 A HA -0.155 4.192 4.320 0.045 0.000 0.218 375 A C 1.972 179.580 177.584 0.040 0.000 1.175 375 A CA 1.823 53.873 52.037 0.022 0.000 0.628 375 A CB -0.472 18.526 19.000 -0.004 0.000 0.814 375 A HN 0.641 nan 8.150 nan 0.000 0.444 376 E N -0.254 119.982 120.200 0.059 0.000 2.047 376 E HA -0.083 4.294 4.350 0.045 0.000 0.191 376 E C 2.197 178.876 176.600 0.131 0.000 0.987 376 E CA 1.003 57.455 56.400 0.087 0.000 0.799 376 E CB -0.272 29.477 29.700 0.080 0.000 0.752 376 E HN 0.548 nan 8.360 nan 0.000 0.449 377 A N 0.287 123.203 122.820 0.160 0.000 1.917 377 A HA -0.209 4.139 4.320 0.045 0.000 0.219 377 A C 2.400 180.072 177.584 0.146 0.000 1.182 377 A CA 1.710 53.881 52.037 0.223 0.000 0.633 377 A CB -0.798 18.446 19.000 0.407 0.000 0.819 377 A HN 0.228 nan 8.150 nan 0.000 0.448 378 V N -0.566 119.445 119.914 0.161 0.000 2.307 378 V HA -0.225 3.923 4.120 0.045 0.000 0.245 378 V C 2.588 178.817 176.094 0.226 0.000 1.045 378 V CA 1.914 64.281 62.300 0.112 0.000 1.024 378 V CB -0.777 31.113 31.823 0.112 0.000 0.651 378 V HN 0.383 nan 8.190 nan 0.000 0.449 379 V N 0.083 120.089 119.914 0.152 0.000 2.282 379 V HA -0.296 3.851 4.120 0.045 0.000 0.249 379 V C 2.311 178.617 176.094 0.353 0.000 1.057 379 V CA 2.220 64.651 62.300 0.218 0.000 1.032 379 V CB -0.614 31.264 31.823 0.090 0.000 0.645 379 V HN 0.456 nan 8.190 nan 0.000 0.447 380 L N -0.796 120.621 121.223 0.324 0.000 2.141 380 L HA -0.188 4.179 4.340 0.045 0.000 0.209 380 L C 2.540 179.632 176.870 0.370 0.000 1.094 380 L CA 1.942 57.057 54.840 0.460 0.000 0.763 380 L CB -0.844 41.406 42.059 0.318 0.000 0.908 380 L HN 0.453 nan 8.230 nan 0.000 0.437 381 H N -0.602 118.490 119.070 0.037 0.000 2.357 381 H HA -0.173 4.412 4.556 0.049 0.000 0.301 381 H C 1.807 177.051 175.328 -0.140 0.000 1.082 381 H CA 1.886 57.817 56.048 -0.194 0.000 1.342 381 H CB 0.033 29.383 29.762 -0.686 0.000 1.389 381 H HN 0.224 nan 8.280 nan 0.000 0.511 382 Y N -0.246 120.105 120.300 0.086 0.000 2.500 382 Y HA 0.140 4.717 4.550 0.045 0.000 0.270 382 Y C 0.807 176.676 175.900 -0.051 0.000 1.134 382 Y CA 0.355 58.510 58.100 0.091 0.000 1.293 382 Y CB 0.260 38.917 38.460 0.328 0.000 1.063 382 Y HN 0.030 nan 8.280 nan 0.000 0.534 383 T N 1.634 116.197 114.554 0.015 0.000 2.888 383 T HA -0.065 4.313 4.350 0.045 0.000 0.301 383 T C -0.215 174.130 174.700 -0.590 0.000 1.001 383 T CA -0.175 61.667 62.100 -0.430 0.000 1.147 383 T CB 0.207 68.571 68.868 -0.840 0.000 0.931 383 T HN 0.068 nan 8.240 nan 0.000 0.541 384 D N 2.245 122.337 120.400 -0.514 0.000 2.365 384 D HA 0.084 4.752 4.640 0.045 0.000 0.237 384 D C 0.126 176.136 176.300 -0.484 0.000 1.190 384 D CA -0.550 53.216 54.000 -0.390 0.000 0.867 384 D CB 0.447 41.069 40.800 -0.296 0.000 1.050 384 D HN 0.622 nan 8.370 nan 0.000 0.491 385 W N 3.175 124.399 121.300 -0.126 0.000 2.699 385 W HA 0.033 4.719 4.660 0.042 0.000 0.249 385 W C 2.061 178.466 176.519 -0.190 0.000 1.280 385 W CA -0.205 57.065 57.345 -0.125 0.000 1.345 385 W CB 0.033 29.437 29.460 -0.094 0.000 1.128 385 W HN 0.425 nan 8.180 nan 0.000 0.642 386 L N -1.117 120.010 121.223 -0.160 0.000 2.156 386 L HA -0.110 4.257 4.340 0.045 0.000 0.208 386 L C 0.308 176.731 176.870 -0.745 0.000 1.095 386 L CA 1.161 55.724 54.840 -0.462 0.000 0.770 386 L CB -0.367 41.322 42.059 -0.617 0.000 0.914 386 L HN 0.045 nan 8.230 nan 0.000 0.439 387 H N -1.921 117.000 119.070 -0.247 0.000 2.535 387 H HA 0.151 4.716 4.556 0.014 0.000 0.232 387 H C -1.819 173.319 175.328 -0.317 0.000 1.405 387 H CA -1.345 54.528 56.048 -0.293 0.000 1.224 387 H CB 0.108 29.578 29.762 -0.486 0.000 1.763 387 H HN -0.020 nan 8.280 nan 0.000 0.529 388 P HA -0.163 nan 4.420 nan 0.000 0.222 388 P C 0.723 177.900 177.300 -0.206 0.000 1.147 388 P CA 1.259 64.165 63.100 -0.322 0.000 0.790 388 P CB 0.710 32.276 31.700 -0.223 0.000 0.780 389 E N -0.582 119.556 120.200 -0.102 0.000 2.526 389 E HA 0.042 4.419 4.350 0.045 0.000 0.208 389 E C -0.085 176.490 176.600 -0.041 0.000 0.997 389 E CA -0.102 56.264 56.400 -0.057 0.000 0.961 389 E CB 0.066 29.754 29.700 -0.020 0.000 1.030 389 E HN 0.241 nan 8.360 nan 0.000 0.483 390 D N 1.959 122.341 120.400 -0.030 0.000 2.382 390 D HA 0.013 4.680 4.640 0.045 0.000 0.259 390 D C -1.720 174.579 176.300 -0.002 0.000 1.224 390 D CA -1.654 52.359 54.000 0.022 0.000 0.894 390 D CB 1.423 42.297 40.800 0.123 0.000 1.127 390 D HN -0.168 nan 8.370 nan 0.000 0.487 391 P HA -0.073 nan 4.420 nan 0.000 0.221 391 P C 1.082 178.316 177.300 -0.109 0.000 1.150 391 P CA 0.789 63.837 63.100 -0.087 0.000 0.800 391 P CB 0.280 31.919 31.700 -0.102 0.000 0.787 392 T N -1.599 112.901 114.554 -0.091 0.000 2.777 392 T HA -0.137 4.240 4.350 0.045 0.000 0.266 392 T C 1.465 176.077 174.700 -0.148 0.000 1.040 392 T CA 1.466 63.486 62.100 -0.135 0.000 1.141 392 T CB -0.899 67.873 68.868 -0.160 0.000 0.868 392 T HN 0.264 nan 8.240 nan 0.000 0.444 393 H N 0.692 119.692 119.070 -0.117 0.000 2.353 393 H HA 0.122 4.697 4.556 0.033 0.000 0.300 393 H C 2.125 177.339 175.328 -0.189 0.000 1.090 393 H CA 1.087 57.060 56.048 -0.124 0.000 1.327 393 H CB -0.342 29.341 29.762 -0.132 0.000 1.383 393 H HN 0.195 nan 8.280 nan 0.000 0.508 394 L N 0.087 121.239 121.223 -0.120 0.000 2.131 394 L HA -0.149 4.218 4.340 0.045 0.000 0.210 394 L C 2.724 179.499 176.870 -0.158 0.000 1.092 394 L CA 0.995 55.639 54.840 -0.325 0.000 0.759 394 L CB -0.267 41.635 42.059 -0.262 0.000 0.903 394 L HN 0.253 nan 8.230 nan 0.000 0.435 395 R N 0.475 120.936 120.500 -0.064 0.000 2.062 395 R HA -0.147 4.220 4.340 0.045 0.000 0.229 395 R C 1.598 177.995 176.300 0.162 0.000 1.128 395 R CA 1.823 57.953 56.100 0.051 0.000 0.960 395 R CB -0.254 29.943 30.300 -0.172 0.000 0.855 395 R HN 0.308 nan 8.270 nan 0.000 0.432 396 D N 0.630 121.084 120.400 0.089 0.000 2.178 396 D HA -0.078 4.590 4.640 0.045 0.000 0.202 396 D C 1.703 178.103 176.300 0.166 0.000 0.974 396 D CA 1.332 55.422 54.000 0.150 0.000 0.841 396 D CB -0.164 40.688 40.800 0.087 0.000 0.953 396 D HN 0.358 nan 8.370 nan 0.000 0.478 397 A N 0.663 123.540 122.820 0.096 0.000 1.930 397 A HA -0.134 4.213 4.320 0.045 0.000 0.217 397 A C 2.124 179.834 177.584 0.210 0.000 1.175 397 A CA 1.331 53.460 52.037 0.153 0.000 0.627 397 A CB -0.429 18.533 19.000 -0.063 0.000 0.815 397 A HN 0.131 nan 8.150 nan 0.000 0.443 398 M N -0.002 119.749 119.600 0.251 0.000 2.117 398 M HA -0.093 4.414 4.480 0.045 0.000 0.262 398 M C 2.287 178.680 176.300 0.154 0.000 1.065 398 M CA 2.141 57.640 55.300 0.332 0.000 1.114 398 M CB -0.628 32.215 32.600 0.404 0.000 1.361 398 M HN 0.396 nan 8.290 nan 0.000 0.408 399 S N -0.332 115.478 115.700 0.183 0.000 2.356 399 S HA -0.092 4.405 4.470 0.045 0.000 0.223 399 S C 2.054 176.758 174.600 0.173 0.000 1.032 399 S CA 1.563 59.880 58.200 0.194 0.000 1.005 399 S CB -0.608 62.770 63.200 0.297 0.000 0.867 399 S HN 0.629 nan 8.310 nan 0.000 0.449 400 A N 0.868 123.809 122.820 0.201 0.000 1.902 400 A HA 0.003 4.350 4.320 0.045 0.000 0.217 400 A C 2.360 180.024 177.584 0.133 0.000 1.181 400 A CA 1.745 53.932 52.037 0.251 0.000 0.623 400 A CB -1.139 18.122 19.000 0.434 0.000 0.818 400 A HN 0.456 nan 8.150 nan 0.000 0.443 401 V N -0.370 119.463 119.914 -0.135 0.000 2.282 401 V HA -0.271 3.876 4.120 0.045 0.000 0.249 401 V C 2.581 178.612 176.094 -0.105 0.000 1.057 401 V CA 2.218 64.355 62.300 -0.272 0.000 1.032 401 V CB -0.759 30.920 31.823 -0.241 0.000 0.645 401 V HN 0.392 nan 8.190 nan 0.000 0.447 402 V N 0.500 120.384 119.914 -0.049 0.000 2.323 402 V HA -0.118 4.029 4.120 0.045 0.000 0.244 402 V C 2.622 178.619 176.094 -0.161 0.000 1.041 402 V CA 2.107 64.357 62.300 -0.082 0.000 1.025 402 V CB -1.322 30.511 31.823 0.016 0.000 0.656 402 V HN 0.604 nan 8.190 nan 0.000 0.451 403 G N -0.284 108.500 108.800 -0.027 0.000 2.418 403 G HA2 -0.238 3.749 3.960 0.045 0.000 0.217 403 G HA3 -0.238 3.749 3.960 0.045 0.000 0.217 403 G C 1.232 176.070 174.900 -0.103 0.000 1.158 403 G CA 1.076 46.170 45.100 -0.010 0.000 0.771 403 G HN 0.506 nan 8.290 nan 0.000 0.545 404 D N -0.287 120.062 120.400 -0.084 0.000 2.103 404 D HA -0.068 4.599 4.640 0.045 0.000 0.199 404 D C 2.122 178.114 176.300 -0.512 0.000 0.978 404 D CA 1.199 55.115 54.000 -0.139 0.000 0.829 404 D CB -0.499 40.390 40.800 0.148 0.000 0.981 404 D HN 0.376 nan 8.370 nan 0.000 0.464 405 H N 1.067 119.545 119.070 -0.988 0.000 2.387 405 H HA 0.014 4.598 4.556 0.045 0.000 0.299 405 H C 1.456 176.377 175.328 -0.680 0.000 1.090 405 H CA 1.597 56.863 56.048 -1.303 0.000 1.332 405 H CB 0.044 28.972 29.762 -1.391 0.000 1.386 405 H HN 0.001 nan 8.280 nan 0.000 0.516 406 N N -0.840 117.416 118.700 -0.740 0.000 2.402 406 N HA -0.000 4.767 4.740 0.045 0.000 0.174 406 N C 1.322 176.586 175.510 -0.410 0.000 1.027 406 N CA 1.103 53.647 53.050 -0.844 0.000 0.891 406 N CB 0.960 38.324 38.487 -1.872 0.000 1.016 406 N HN 0.273 nan 8.380 nan 0.000 0.439 407 V N -0.359 119.374 119.914 -0.301 0.000 3.278 407 V HA 0.060 4.207 4.120 0.045 0.000 0.215 407 V C 2.189 178.242 176.094 -0.068 0.000 1.287 407 V CA 0.203 62.459 62.300 -0.073 0.000 1.302 407 V CB -0.171 31.679 31.823 0.046 0.000 1.228 407 V HN -0.173 nan 8.190 nan 0.000 0.523 408 V N 0.095 119.970 119.914 -0.065 0.000 2.287 408 V HA -0.295 3.852 4.120 0.045 0.000 0.248 408 V C 2.486 178.548 176.094 -0.054 0.000 1.053 408 V CA 2.585 64.860 62.300 -0.042 0.000 1.027 408 V CB -0.804 31.024 31.823 0.008 0.000 0.646 408 V HN 0.668 nan 8.190 nan 0.000 0.447 409 c N -0.493 118.067 118.600 -0.067 0.000 2.486 409 c HA 0.030 4.628 4.570 0.045 0.000 0.279 409 c C 0.553 174.618 174.090 -0.042 0.000 1.302 409 c CA 0.798 57.120 56.329 -0.011 0.000 1.720 409 c CB -1.768 40.779 42.510 0.061 0.000 2.030 409 c HN 0.456 nan 8.230 nan 0.000 0.490 410 P HA -0.072 nan 4.420 nan 0.000 0.216 410 P C 1.744 178.983 177.300 -0.102 0.000 1.150 410 P CA 1.325 64.359 63.100 -0.109 0.000 0.837 410 P CB -0.159 31.446 31.700 -0.158 0.000 0.786 411 V N 0.117 119.971 119.914 -0.100 0.000 2.307 411 V HA -0.246 3.901 4.120 0.045 0.000 0.245 411 V C 2.458 178.450 176.094 -0.169 0.000 1.045 411 V CA 2.248 64.470 62.300 -0.130 0.000 1.024 411 V CB -1.634 30.110 31.823 -0.132 0.000 0.651 411 V HN 0.096 nan 8.190 nan 0.000 0.449 412 A N -0.802 121.938 122.820 -0.134 0.000 1.902 412 A HA -0.325 4.022 4.320 0.045 0.000 0.217 412 A C 2.244 179.791 177.584 -0.061 0.000 1.181 412 A CA 2.258 54.226 52.037 -0.115 0.000 0.623 412 A CB -0.560 18.429 19.000 -0.018 0.000 0.818 412 A HN 0.628 nan 8.150 nan 0.000 0.443 413 Q N -0.831 118.948 119.800 -0.036 0.000 2.050 413 Q HA -0.182 4.186 4.340 0.045 0.000 0.202 413 Q C 2.041 178.013 176.000 -0.046 0.000 0.980 413 Q CA 1.754 57.548 55.803 -0.015 0.000 0.840 413 Q CB -0.286 28.445 28.738 -0.011 0.000 0.898 413 Q HN 0.544 nan 8.270 nan 0.000 0.424 414 L N 0.797 121.965 121.223 -0.092 0.000 2.012 414 L HA -0.166 4.202 4.340 0.045 0.000 0.210 414 L C 2.289 179.075 176.870 -0.140 0.000 1.073 414 L CA 2.330 57.098 54.840 -0.119 0.000 0.748 414 L CB -0.828 41.146 42.059 -0.142 0.000 0.891 414 L HN 0.301 nan 8.230 nan 0.000 0.431 415 A N -0.504 122.193 122.820 -0.205 0.000 1.883 415 A HA -0.137 4.210 4.320 0.045 0.000 0.217 415 A C 2.345 179.894 177.584 -0.058 0.000 1.186 415 A CA 1.842 53.701 52.037 -0.296 0.000 0.624 415 A CB -1.695 16.838 19.000 -0.780 0.000 0.822 415 A HN 0.557 nan 8.150 nan 0.000 0.444 416 G N -0.993 107.849 108.800 0.069 0.000 2.402 416 G HA2 -0.176 3.811 3.960 0.045 0.000 0.216 416 G HA3 -0.176 3.811 3.960 0.045 0.000 0.216 416 G C 1.710 176.680 174.900 0.117 0.000 1.162 416 G CA 0.700 45.936 45.100 0.226 0.000 0.777 416 G HN 0.419 nan 8.290 nan 0.000 0.539 417 R N 0.148 120.681 120.500 0.056 0.000 2.066 417 R HA 0.091 4.458 4.340 0.045 0.000 0.232 417 R C 2.651 178.989 176.300 0.063 0.000 1.131 417 R CA 0.578 56.713 56.100 0.059 0.000 0.955 417 R CB -0.994 29.331 30.300 0.041 0.000 0.851 417 R HN 0.375 nan 8.270 nan 0.000 0.432 418 L N 0.419 121.621 121.223 -0.035 0.000 2.042 418 L HA -0.169 4.198 4.340 0.045 0.000 0.210 418 L C 2.688 179.590 176.870 0.053 0.000 1.076 418 L CA 1.470 56.259 54.840 -0.086 0.000 0.749 418 L CB -0.717 41.213 42.059 -0.216 0.000 0.893 418 L HN 0.179 nan 8.230 nan 0.000 0.432 419 A N -0.021 122.844 122.820 0.076 0.000 1.898 419 A HA -0.114 4.234 4.320 0.045 0.000 0.216 419 A C 2.512 180.153 177.584 0.094 0.000 1.181 419 A CA 1.614 53.711 52.037 0.101 0.000 0.620 419 A CB -0.620 18.479 19.000 0.165 0.000 0.819 419 A HN 0.397 nan 8.150 nan 0.000 0.442 420 A N -1.337 121.543 122.820 0.100 0.000 1.969 420 A HA -0.077 4.271 4.320 0.045 0.000 0.218 420 A C 1.830 179.470 177.584 0.094 0.000 1.169 420 A CA 1.577 53.665 52.037 0.084 0.000 0.635 420 A CB -0.263 18.785 19.000 0.080 0.000 0.810 420 A HN 0.483 nan 8.150 nan 0.000 0.445 421 Q N -1.263 118.623 119.800 0.144 0.000 2.225 421 Q HA 0.383 4.751 4.340 0.045 0.000 0.222 421 Q C 0.931 177.031 176.000 0.167 0.000 0.887 421 Q CA 0.685 56.587 55.803 0.166 0.000 0.958 421 Q CB 0.038 28.950 28.738 0.291 0.000 1.058 421 Q HN 0.812 nan 8.270 nan 0.000 0.459 422 G N -1.204 107.669 108.800 0.123 0.000 2.195 422 G HA2 -0.287 3.700 3.960 0.045 0.000 0.246 422 G HA3 -0.287 3.700 3.960 0.045 0.000 0.246 422 G C 0.322 175.290 174.900 0.114 0.000 0.984 422 G CA -0.099 45.061 45.100 0.099 0.000 0.633 422 G HN 0.609 nan 8.290 nan 0.000 0.525 423 A N 0.183 123.090 122.820 0.146 0.000 2.407 423 A HA 0.671 5.018 4.320 0.045 0.000 0.248 423 A C 0.754 178.370 177.584 0.054 0.000 1.082 423 A CA 0.541 52.645 52.037 0.111 0.000 0.785 423 A CB 0.300 19.344 19.000 0.074 0.000 1.020 423 A HN 0.800 nan 8.150 nan 0.000 0.489 424 R N 1.883 122.411 120.500 0.047 0.000 2.234 424 R HA 0.487 4.854 4.340 0.045 0.000 0.324 424 R C -1.444 174.832 176.300 -0.040 0.000 1.054 424 R CA -0.122 55.972 56.100 -0.011 0.000 0.912 424 R CB 0.344 30.664 30.300 0.033 0.000 1.030 424 R HN 0.463 nan 8.270 nan 0.000 0.455 425 V N 5.694 125.505 119.914 -0.172 0.000 2.604 425 V HA 0.437 4.585 4.120 0.045 0.000 0.305 425 V C -1.206 174.671 176.094 -0.361 0.000 1.043 425 V CA -0.789 61.427 62.300 -0.141 0.000 0.888 425 V CB 1.715 33.523 31.823 -0.026 0.000 0.995 425 V HN 0.669 nan 8.190 nan 0.000 0.429 426 Y N 1.876 122.124 120.300 -0.087 0.000 2.425 426 Y HA 0.808 5.385 4.550 0.045 0.000 0.344 426 Y C 0.251 176.189 175.900 0.063 0.000 0.969 426 Y CA -0.569 57.458 58.100 -0.122 0.000 1.052 426 Y CB 2.302 40.332 38.460 -0.716 0.000 1.215 426 Y HN 0.784 nan 8.280 nan 0.000 0.451 427 A N 2.937 126.095 122.820 0.563 0.000 2.413 427 A HA 0.888 5.235 4.320 0.045 0.000 0.307 427 A C -1.899 176.089 177.584 0.674 0.000 1.087 427 A CA -0.734 51.537 52.037 0.390 0.000 0.750 427 A CB 1.193 20.251 19.000 0.096 0.000 1.296 427 A HN 0.759 nan 8.150 nan 0.000 0.423 428 Y N -0.593 119.964 120.300 0.427 0.000 2.615 428 Y HA 0.797 5.374 4.550 0.045 0.000 0.341 428 Y C -1.177 174.908 175.900 0.308 0.000 1.089 428 Y CA -1.546 56.760 58.100 0.344 0.000 1.049 428 Y CB 1.312 39.961 38.460 0.314 0.000 1.296 428 Y HN 0.719 nan 8.280 nan 0.000 0.470 429 I N 3.230 124.100 120.570 0.500 0.000 2.465 429 I HA 0.489 4.686 4.170 0.045 0.000 0.291 429 I C -1.840 174.623 176.117 0.578 0.000 1.014 429 I CA -1.076 60.489 61.300 0.442 0.000 1.093 429 I CB 1.276 39.473 38.000 0.329 0.000 1.267 429 I HN 0.742 nan 8.210 nan 0.000 0.431 430 F N 7.238 127.473 119.950 0.475 0.000 2.404 430 F HA 0.423 4.978 4.527 0.046 0.000 0.354 430 F C 0.395 176.355 175.800 0.267 0.000 1.122 430 F CA -0.018 58.211 58.000 0.380 0.000 1.080 430 F CB 1.026 40.271 39.000 0.408 0.000 1.131 430 F HN 0.545 nan 8.300 nan 0.000 0.471 431 E N 3.037 123.154 120.200 -0.137 0.000 2.676 431 E HA -0.015 4.362 4.350 0.045 0.000 0.222 431 E C -0.847 175.659 176.600 -0.156 0.000 0.968 431 E CA -0.175 56.203 56.400 -0.036 0.000 1.090 431 E CB 0.285 29.979 29.700 -0.010 0.000 1.066 431 E HN 0.535 nan 8.360 nan 0.000 0.496 432 H N 1.539 120.267 119.070 -0.571 0.000 2.562 432 H HA 0.234 4.818 4.556 0.045 0.000 0.314 432 H C -0.399 174.897 175.328 -0.054 0.000 1.079 432 H CA -0.413 55.365 56.048 -0.449 0.000 1.349 432 H CB 0.536 29.801 29.762 -0.829 0.000 1.432 432 H HN -0.153 nan 8.280 nan 0.000 0.479 433 R N 4.184 124.343 120.500 -0.569 0.000 2.216 433 R HA 0.435 4.802 4.340 0.045 0.000 0.332 433 R C -0.506 175.533 176.300 -0.435 0.000 1.056 433 R CA -0.548 55.365 56.100 -0.310 0.000 0.901 433 R CB 0.186 30.393 30.300 -0.155 0.000 1.039 433 R HN 0.831 nan 8.270 nan 0.000 0.456 434 A N 3.210 126.070 122.820 0.065 0.000 2.567 434 A HA -0.032 4.315 4.320 0.045 0.000 0.240 434 A C 1.410 179.094 177.584 0.168 0.000 1.053 434 A CA 0.637 52.906 52.037 0.387 0.000 0.755 434 A CB 0.265 19.617 19.000 0.586 0.000 0.978 434 A HN 1.027 nan 8.150 nan 0.000 0.507 435 S N 1.687 117.523 115.700 0.228 0.000 2.419 435 S HA -0.175 4.323 4.470 0.045 0.000 0.235 435 S C 1.373 175.976 174.600 0.005 0.000 1.019 435 S CA 1.742 60.003 58.200 0.101 0.000 0.982 435 S CB -0.826 62.457 63.200 0.138 0.000 0.789 435 S HN 1.331 nan 8.310 nan 0.000 0.490 436 T N -0.962 113.563 114.554 -0.049 0.000 3.144 436 T HA 0.375 4.752 4.350 0.045 0.000 0.249 436 T C 0.324 174.960 174.700 -0.106 0.000 1.089 436 T CA -0.563 61.444 62.100 -0.155 0.000 0.989 436 T CB -0.515 68.126 68.868 -0.379 0.000 0.992 436 T HN 0.250 nan 8.240 nan 0.000 0.540 437 L N 3.868 125.068 121.223 -0.038 0.000 2.499 437 L HA 0.234 4.601 4.340 0.045 0.000 0.273 437 L C 1.657 178.479 176.870 -0.080 0.000 1.195 437 L CA 0.768 55.577 54.840 -0.052 0.000 0.882 437 L CB 0.814 42.853 42.059 -0.033 0.000 1.133 437 L HN 0.435 nan 8.230 nan 0.000 0.483 438 T N -0.444 114.017 114.554 -0.155 0.000 3.065 438 T HA 0.082 4.459 4.350 0.045 0.000 0.252 438 T C 0.377 175.045 174.700 -0.053 0.000 1.099 438 T CA -0.431 61.570 62.100 -0.166 0.000 1.063 438 T CB -0.298 68.356 68.868 -0.356 0.000 0.948 438 T HN 0.414 nan 8.240 nan 0.000 0.506 439 W N 3.457 124.769 121.300 0.020 0.000 2.126 439 W HA 0.413 5.100 4.660 0.045 0.000 0.346 439 W C -1.987 174.453 176.519 -0.133 0.000 1.279 439 W CA -2.178 55.156 57.345 -0.020 0.000 1.259 439 W CB 0.049 29.434 29.460 -0.125 0.000 1.133 439 W HN -0.023 nan 8.180 nan 0.000 0.592 440 P HA 0.025 nan 4.420 nan 0.000 0.272 440 P C 0.489 177.711 177.300 -0.129 0.000 1.240 440 P CA -0.018 63.051 63.100 -0.052 0.000 0.791 440 P CB 0.886 32.557 31.700 -0.048 0.000 0.978 441 L N 0.279 121.485 121.223 -0.028 0.000 2.131 441 L HA -0.127 4.241 4.340 0.045 0.000 0.210 441 L C 2.550 179.432 176.870 0.020 0.000 1.092 441 L CA 1.376 56.217 54.840 0.001 0.000 0.759 441 L CB -0.899 41.191 42.059 0.052 0.000 0.903 441 L HN 0.608 nan 8.230 nan 0.000 0.435 442 W N -0.531 120.812 121.300 0.072 0.000 2.465 442 W HA -0.133 4.553 4.660 0.044 0.000 0.268 442 W C 1.659 178.238 176.519 0.099 0.000 1.242 442 W CA 0.457 57.846 57.345 0.074 0.000 1.248 442 W CB -0.731 28.772 29.460 0.071 0.000 1.118 442 W HN 0.197 nan 8.180 nan 0.000 0.587 443 M N 1.351 120.574 119.600 -0.629 0.000 2.619 443 M HA 0.148 4.655 4.480 0.045 0.000 0.251 443 M C 1.775 177.989 176.300 -0.143 0.000 1.106 443 M CA 1.399 56.352 55.300 -0.579 0.000 1.086 443 M CB -0.625 31.492 32.600 -0.804 0.000 1.465 443 M HN 0.177 nan 8.290 nan 0.000 0.506 444 G N 0.735 109.504 108.800 -0.053 0.000 2.561 444 G HA2 -0.285 3.702 3.960 0.045 0.000 0.289 444 G HA3 -0.285 3.702 3.960 0.045 0.000 0.289 444 G C -0.145 174.774 174.900 0.031 0.000 1.169 444 G CA -0.157 44.959 45.100 0.027 0.000 0.980 444 G HN 0.227 nan 8.290 nan 0.000 0.550 445 V N 3.757 123.730 119.914 0.098 0.000 2.288 445 V HA 0.482 4.629 4.120 0.045 0.000 0.266 445 V C -1.832 174.385 176.094 0.205 0.000 1.048 445 V CA -0.757 61.645 62.300 0.170 0.000 0.842 445 V CB 1.097 33.074 31.823 0.257 0.000 1.064 445 V HN 0.541 nan 8.190 nan 0.000 0.472 446 P HA 0.239 nan 4.420 nan 0.000 0.279 446 P C -0.214 177.273 177.300 0.313 0.000 1.252 446 P CA -0.653 62.554 63.100 0.178 0.000 0.811 446 P CB 0.405 32.100 31.700 -0.009 0.000 1.035 447 H N 0.821 119.955 119.070 0.105 0.000 3.193 447 H HA 0.121 4.704 4.556 0.045 0.000 0.306 447 H C 1.607 176.834 175.328 -0.170 0.000 0.960 447 H CA 2.541 58.578 56.048 -0.020 0.000 1.375 447 H CB -0.577 29.121 29.762 -0.108 0.000 1.321 447 H HN 0.785 nan 8.280 nan 0.000 0.578 448 G N 3.214 111.673 108.800 -0.568 0.000 2.241 448 G HA2 -0.342 3.645 3.960 0.045 0.000 0.244 448 G HA3 -0.342 3.645 3.960 0.045 0.000 0.244 448 G C 0.669 175.393 174.900 -0.295 0.000 0.998 448 G CA 0.456 45.238 45.100 -0.529 0.000 0.621 448 G HN 0.661 nan 8.290 nan 0.000 0.519 449 Y N 1.669 122.017 120.300 0.080 0.000 2.470 449 Y HA 0.262 4.840 4.550 0.046 0.000 0.284 449 Y C 2.299 178.287 175.900 0.147 0.000 1.188 449 Y CA 0.942 59.157 58.100 0.193 0.000 1.269 449 Y CB 0.401 39.021 38.460 0.267 0.000 1.094 449 Y HN 0.511 nan 8.280 nan 0.000 0.518 450 E N 0.199 120.302 120.200 -0.161 0.000 2.400 450 E HA -0.049 4.329 4.350 0.045 0.000 0.195 450 E C 1.562 178.024 176.600 -0.230 0.000 1.012 450 E CA 0.606 56.563 56.400 -0.738 0.000 0.875 450 E CB -0.293 28.530 29.700 -1.462 0.000 0.859 450 E HN 0.538 nan 8.360 nan 0.000 0.498 451 I N 2.720 123.240 120.570 -0.083 0.000 2.179 451 I HA -0.279 3.918 4.170 0.045 0.000 0.242 451 I C 2.680 178.773 176.117 -0.040 0.000 1.088 451 I CA 1.945 63.244 61.300 -0.003 0.000 1.357 451 I CB -0.500 37.556 38.000 0.093 0.000 1.051 451 I HN 0.203 nan 8.210 nan 0.000 0.409 452 E N 1.196 121.314 120.200 -0.137 0.000 2.209 452 E HA -0.241 4.136 4.350 0.045 0.000 0.196 452 E C 2.039 178.369 176.600 -0.451 0.000 0.993 452 E CA 1.513 57.733 56.400 -0.300 0.000 0.819 452 E CB -0.528 28.972 29.700 -0.333 0.000 0.745 452 E HN 0.427 nan 8.360 nan 0.000 0.477 453 F N 1.336 121.176 119.950 -0.183 0.000 2.149 453 F HA -0.052 4.503 4.527 0.046 0.000 0.294 453 F C 2.388 177.961 175.800 -0.377 0.000 1.095 453 F CA 0.581 58.420 58.000 -0.268 0.000 1.276 453 F CB -0.204 38.727 39.000 -0.116 0.000 1.023 453 F HN -0.037 nan 8.300 nan 0.000 0.480 454 I N -0.759 119.648 120.570 -0.271 0.000 2.264 454 I HA -0.288 3.909 4.170 0.045 0.000 0.248 454 I C 2.159 178.028 176.117 -0.415 0.000 1.111 454 I CA 1.637 62.611 61.300 -0.543 0.000 1.382 454 I CB -1.496 36.049 38.000 -0.759 0.000 1.060 454 I HN 0.082 nan 8.210 nan 0.000 0.418 455 F N 0.880 120.641 119.950 -0.315 0.000 2.661 455 F HA 0.172 4.726 4.527 0.045 0.000 0.298 455 F C 1.931 177.596 175.800 -0.225 0.000 1.137 455 F CA 0.951 58.809 58.000 -0.237 0.000 1.454 455 F CB -0.257 38.585 39.000 -0.263 0.000 1.103 455 F HN 0.301 nan 8.300 nan 0.000 0.577 456 G N -0.175 108.480 108.800 -0.243 0.000 2.132 456 G HA2 -0.288 3.699 3.960 0.045 0.000 0.234 456 G HA3 -0.288 3.699 3.960 0.045 0.000 0.234 456 G C 0.950 175.316 174.900 -0.890 0.000 0.989 456 G CA 0.294 45.138 45.100 -0.427 0.000 0.676 456 G HN 0.277 nan 8.290 nan 0.000 0.522 457 L N 0.420 121.145 121.223 -0.831 0.000 2.127 457 L HA 0.029 4.397 4.340 0.045 0.000 0.211 457 L C 0.274 176.625 176.870 -0.865 0.000 1.089 457 L CA 2.593 56.870 54.840 -0.937 0.000 0.757 457 L CB -0.895 40.871 42.059 -0.488 0.000 0.899 457 L HN 0.195 nan 8.230 nan 0.000 0.434 458 P HA -0.115 nan 4.420 nan 0.000 0.228 458 P C 1.588 178.657 177.300 -0.385 0.000 1.151 458 P CA 0.755 63.371 63.100 -0.807 0.000 0.770 458 P CB 0.078 31.279 31.700 -0.831 0.000 0.786 459 L N -0.993 119.927 121.223 -0.505 0.000 2.465 459 L HA -0.035 4.332 4.340 0.045 0.000 0.224 459 L C 0.920 177.694 176.870 -0.159 0.000 1.145 459 L CA 1.200 55.862 54.840 -0.297 0.000 0.834 459 L CB -1.013 40.878 42.059 -0.280 0.000 0.944 459 L HN -0.053 nan 8.230 nan 0.000 0.451 460 D N -0.381 119.888 120.400 -0.219 0.000 2.365 460 D HA 0.096 4.763 4.640 0.045 0.000 0.237 460 D C -1.668 174.646 176.300 0.024 0.000 1.190 460 D CA -2.113 51.895 54.000 0.013 0.000 0.867 460 D CB 1.511 42.359 40.800 0.079 0.000 1.050 460 D HN -0.026 nan 8.370 nan 0.000 0.491 461 P HA -0.150 nan 4.420 nan 0.000 0.216 461 P C 1.333 178.650 177.300 0.029 0.000 1.150 461 P CA 1.049 64.168 63.100 0.032 0.000 0.837 461 P CB -0.009 31.707 31.700 0.026 0.000 0.786 462 S N -0.954 114.761 115.700 0.025 0.000 2.528 462 S HA -0.089 4.408 4.470 0.045 0.000 0.244 462 S C 1.604 176.199 174.600 -0.009 0.000 0.982 462 S CA 0.838 59.042 58.200 0.007 0.000 0.953 462 S CB -1.491 61.713 63.200 0.008 0.000 0.754 462 S HN 0.119 nan 8.310 nan 0.000 0.529 463 L N 0.462 121.691 121.223 0.010 0.000 2.567 463 L HA 0.227 4.594 4.340 0.045 0.000 0.225 463 L C 0.426 177.215 176.870 -0.134 0.000 1.119 463 L CA -0.043 54.776 54.840 -0.036 0.000 0.871 463 L CB -0.587 41.509 42.059 0.061 0.000 1.036 463 L HN 0.241 nan 8.230 nan 0.000 0.459 464 N N -2.115 116.552 118.700 -0.055 0.000 2.925 464 N HA -0.221 4.546 4.740 0.045 0.000 0.244 464 N C -0.287 175.170 175.510 -0.089 0.000 1.000 464 N CA 0.769 53.770 53.050 -0.083 0.000 0.895 464 N CB -1.690 36.720 38.487 -0.129 0.000 1.119 464 N HN 0.279 nan 8.380 nan 0.000 0.569 465 Y N 1.721 122.009 120.300 -0.021 0.000 2.457 465 Y HA 0.093 4.670 4.550 0.045 0.000 0.341 465 Y C 2.030 177.954 175.900 0.041 0.000 1.240 465 Y CA 0.560 58.675 58.100 0.025 0.000 1.437 465 Y CB 0.369 38.833 38.460 0.007 0.000 1.328 465 Y HN 0.077 nan 8.280 nan 0.000 0.588 466 T N -2.725 111.974 114.554 0.243 0.000 2.813 466 T HA 0.034 4.411 4.350 0.045 0.000 0.297 466 T C 1.365 176.145 174.700 0.133 0.000 1.036 466 T CA -0.110 62.079 62.100 0.149 0.000 1.044 466 T CB 0.935 69.882 68.868 0.132 0.000 0.993 466 T HN 0.840 nan 8.240 nan 0.000 0.535 467 T N -1.264 113.338 114.554 0.079 0.000 2.867 467 T HA -0.106 4.271 4.350 0.045 0.000 0.268 467 T C 1.503 176.233 174.700 0.051 0.000 1.057 467 T CA 1.241 63.374 62.100 0.055 0.000 1.136 467 T CB -0.590 68.298 68.868 0.033 0.000 0.874 467 T HN 0.692 nan 8.240 nan 0.000 0.466 468 E N 1.355 121.583 120.200 0.046 0.000 2.153 468 E HA -0.039 4.338 4.350 0.045 0.000 0.194 468 E C 2.294 178.919 176.600 0.042 0.000 0.988 468 E CA 1.205 57.614 56.400 0.015 0.000 0.811 468 E CB -0.230 29.454 29.700 -0.027 0.000 0.746 468 E HN 0.713 nan 8.360 nan 0.000 0.466 469 E N 0.046 120.317 120.200 0.117 0.000 2.107 469 E HA -0.119 4.258 4.350 0.045 0.000 0.191 469 E C 2.065 178.786 176.600 0.201 0.000 0.982 469 E CA 0.355 56.905 56.400 0.250 0.000 0.809 469 E CB 0.058 30.048 29.700 0.484 0.000 0.756 469 E HN 0.031 nan 8.360 nan 0.000 0.459 470 R N 1.064 121.619 120.500 0.091 0.000 2.070 470 R HA -0.155 4.212 4.340 0.045 0.000 0.233 470 R C 2.233 178.535 176.300 0.004 0.000 1.137 470 R CA 1.283 57.384 56.100 0.000 0.000 0.945 470 R CB -0.504 29.793 30.300 -0.004 0.000 0.845 470 R HN 0.197 nan 8.270 nan 0.000 0.430 471 I N 0.430 121.018 120.570 0.029 0.000 2.194 471 I HA -0.323 3.875 4.170 0.045 0.000 0.246 471 I C 2.362 178.515 176.117 0.059 0.000 1.093 471 I CA 1.418 62.733 61.300 0.025 0.000 1.355 471 I CB -0.436 37.578 38.000 0.023 0.000 1.046 471 I HN 0.142 nan 8.210 nan 0.000 0.413 472 F N 1.741 121.637 119.950 -0.090 0.000 2.146 472 F HA -0.163 4.392 4.527 0.047 0.000 0.298 472 F C 2.424 178.189 175.800 -0.058 0.000 1.096 472 F CA 1.213 59.140 58.000 -0.122 0.000 1.275 472 F CB -0.608 38.241 39.000 -0.252 0.000 1.008 472 F HN 0.004 nan 8.300 nan 0.000 0.480 473 A N 0.178 122.949 122.820 -0.081 0.000 1.902 473 A HA -0.217 4.130 4.320 0.045 0.000 0.217 473 A C 2.140 179.598 177.584 -0.211 0.000 1.181 473 A CA 1.711 53.637 52.037 -0.185 0.000 0.623 473 A CB -0.848 18.066 19.000 -0.144 0.000 0.818 473 A HN 0.607 nan 8.150 nan 0.000 0.443 474 Q N -0.637 119.078 119.800 -0.143 0.000 2.124 474 Q HA -0.181 4.186 4.340 0.045 0.000 0.202 474 Q C 2.306 178.201 176.000 -0.174 0.000 0.977 474 Q CA 1.456 57.180 55.803 -0.132 0.000 0.850 474 Q CB -0.218 28.469 28.738 -0.084 0.000 0.901 474 Q HN 0.625 nan 8.270 nan 0.000 0.429 475 R N 0.409 120.790 120.500 -0.198 0.000 2.073 475 R HA -0.104 4.263 4.340 0.045 0.000 0.234 475 R C 2.325 178.355 176.300 -0.450 0.000 1.134 475 R CA 1.164 57.067 56.100 -0.328 0.000 0.952 475 R CB -0.281 29.890 30.300 -0.216 0.000 0.850 475 R HN 0.253 nan 8.270 nan 0.000 0.433 476 L N -0.054 120.981 121.223 -0.314 0.000 2.093 476 L HA -0.132 4.235 4.340 0.045 0.000 0.208 476 L C 2.496 179.314 176.870 -0.087 0.000 1.085 476 L CA 1.161 55.906 54.840 -0.160 0.000 0.755 476 L CB -0.321 41.496 42.059 -0.403 0.000 0.904 476 L HN 0.248 nan 8.230 nan 0.000 0.435 477 M N -0.695 118.800 119.600 -0.176 0.000 2.159 477 M HA -0.198 4.309 4.480 0.045 0.000 0.263 477 M C 2.333 178.626 176.300 -0.012 0.000 1.063 477 M CA 1.565 56.795 55.300 -0.117 0.000 1.110 477 M CB -0.280 32.240 32.600 -0.134 0.000 1.374 477 M HN 0.060 nan 8.290 nan 0.000 0.411 478 K N -0.112 120.249 120.400 -0.066 0.000 2.026 478 K HA -0.140 4.207 4.320 0.045 0.000 0.208 478 K C 1.897 178.545 176.600 0.081 0.000 1.048 478 K CA 1.715 57.974 56.287 -0.047 0.000 0.929 478 K CB -0.403 32.005 32.500 -0.154 0.000 0.713 478 K HN 0.307 nan 8.250 nan 0.000 0.439 479 Y N -0.127 120.294 120.300 0.203 0.000 2.097 479 Y HA -0.251 4.327 4.550 0.045 0.000 0.282 479 Y C 2.492 178.531 175.900 0.233 0.000 1.152 479 Y CA 0.933 59.187 58.100 0.258 0.000 1.136 479 Y CB -1.003 37.743 38.460 0.477 0.000 0.975 479 Y HN 0.232 nan 8.280 nan 0.000 0.498 480 W N 0.651 122.027 121.300 0.126 0.000 2.335 480 W HA -0.256 4.431 4.660 0.045 0.000 0.311 480 W C 2.501 179.020 176.519 -0.000 0.000 1.213 480 W CA 2.273 59.625 57.345 0.011 0.000 1.274 480 W CB -0.657 28.730 29.460 -0.122 0.000 1.148 480 W HN 0.267 nan 8.180 nan 0.000 0.498 481 T N -2.382 112.279 114.554 0.179 0.000 2.942 481 T HA -0.118 4.260 4.350 0.045 0.000 0.265 481 T C 1.419 176.145 174.700 0.044 0.000 1.062 481 T CA 1.112 63.250 62.100 0.064 0.000 1.139 481 T CB -0.595 68.287 68.868 0.023 0.000 0.883 481 T HN -0.075 nan 8.240 nan 0.000 0.468 482 N N 1.032 119.774 118.700 0.071 0.000 2.120 482 N HA -0.015 4.752 4.740 0.045 0.000 0.188 482 N C 1.375 176.881 175.510 -0.006 0.000 1.024 482 N CA 1.033 54.103 53.050 0.033 0.000 0.852 482 N CB -0.696 37.830 38.487 0.064 0.000 1.003 482 N HN 0.476 nan 8.380 nan 0.000 0.424 483 F N 1.713 121.581 119.950 -0.136 0.000 2.102 483 F HA -0.119 4.436 4.527 0.046 0.000 0.298 483 F C 2.196 177.912 175.800 -0.139 0.000 1.105 483 F CA 1.457 59.323 58.000 -0.223 0.000 1.239 483 F CB -0.469 38.306 39.000 -0.374 0.000 0.991 483 F HN 0.040 nan 8.300 nan 0.000 0.474 484 A N 0.604 123.360 122.820 -0.108 0.000 1.902 484 A HA -0.198 4.149 4.320 0.045 0.000 0.217 484 A C 2.341 179.814 177.584 -0.184 0.000 1.181 484 A CA 1.802 53.744 52.037 -0.158 0.000 0.623 484 A CB -0.734 18.238 19.000 -0.045 0.000 0.818 484 A HN 0.476 nan 8.150 nan 0.000 0.443 485 R N -1.184 119.238 120.500 -0.131 0.000 2.092 485 R HA -0.072 4.295 4.340 0.045 0.000 0.231 485 R C 1.853 178.065 176.300 -0.147 0.000 1.119 485 R CA 1.804 57.839 56.100 -0.108 0.000 0.970 485 R CB -0.189 30.074 30.300 -0.061 0.000 0.864 485 R HN 0.743 nan 8.270 nan 0.000 0.440 486 T N -5.976 108.459 114.554 -0.199 0.000 3.009 486 T HA 0.242 4.619 4.350 0.045 0.000 0.267 486 T C 1.181 175.738 174.700 -0.239 0.000 0.942 486 T CA 0.378 62.374 62.100 -0.174 0.000 0.883 486 T CB 1.328 70.134 68.868 -0.104 0.000 1.192 486 T HN 0.305 nan 8.240 nan 0.000 0.524 487 G N 1.359 109.872 108.800 -0.477 0.000 2.179 487 G HA2 -0.179 3.808 3.960 0.045 0.000 0.260 487 G HA3 -0.179 3.808 3.960 0.045 0.000 0.260 487 G C -0.323 174.451 174.900 -0.211 0.000 0.977 487 G CA 0.263 45.017 45.100 -0.577 0.000 0.641 487 G HN 0.835 nan 8.290 nan 0.000 0.533 488 D N -0.522 119.770 120.400 -0.181 0.000 2.788 488 D HA 0.455 5.122 4.640 0.045 0.000 0.247 488 D C -1.346 174.799 176.300 -0.258 0.000 1.236 488 D CA -1.610 52.267 54.000 -0.206 0.000 0.898 488 D CB 2.191 42.956 40.800 -0.059 0.000 1.401 488 D HN 0.022 nan 8.370 nan 0.000 0.549 489 P HA -0.031 nan 4.420 nan 0.000 0.237 489 P C -0.067 177.247 177.300 0.024 0.000 1.178 489 P CA 0.009 62.952 63.100 -0.262 0.000 0.766 489 P CB 0.443 31.716 31.700 -0.713 0.000 0.876 490 N N 1.531 120.213 118.700 -0.031 0.000 2.508 490 N HA 0.026 4.793 4.740 0.045 0.000 0.264 490 N C 0.137 175.715 175.510 0.113 0.000 1.216 490 N CA 0.267 53.398 53.050 0.134 0.000 0.943 490 N CB 0.549 39.106 38.487 0.117 0.000 1.113 490 N HN 0.052 nan 8.380 nan 0.000 0.447 491 D N 1.449 121.932 120.400 0.138 0.000 2.383 491 D HA 0.085 4.752 4.640 0.045 0.000 0.252 491 D C -1.462 174.876 176.300 0.063 0.000 1.166 491 D CA -1.155 52.896 54.000 0.085 0.000 0.879 491 D CB 1.169 42.015 40.800 0.076 0.000 1.164 491 D HN 0.271 nan 8.370 nan 0.000 0.462 492 P HA 0.041 nan 4.420 nan 0.000 0.242 492 P C -0.108 177.211 177.300 0.033 0.000 1.197 492 P CA 0.483 63.603 63.100 0.033 0.000 0.765 492 P CB 0.288 31.999 31.700 0.019 0.000 0.936 493 R N 0.365 120.886 120.500 0.035 0.000 2.532 493 R HA 0.729 5.096 4.340 0.045 0.000 0.297 493 R C -0.572 175.751 176.300 0.038 0.000 0.984 493 R CA -0.324 55.796 56.100 0.032 0.000 0.884 493 R CB 0.417 30.731 30.300 0.024 0.000 1.182 493 R HN 0.102 nan 8.270 nan 0.000 0.442 499 D N 0.378 120.855 120.400 0.129 0.000 2.283 499 D HA 0.286 4.953 4.640 0.045 0.000 0.248 499 D C -0.737 175.713 176.300 0.251 0.000 1.072 499 D CA 0.171 54.284 54.000 0.187 0.000 0.929 499 D CB 0.677 41.578 40.800 0.167 0.000 1.182 499 D HN 0.304 nan 8.370 nan 0.000 0.433 500 W N 4.923 126.266 121.300 0.072 0.000 2.481 500 W HA 0.268 4.957 4.660 0.047 0.000 0.320 500 W C -2.522 174.125 176.519 0.214 0.000 1.209 500 W CA -2.641 54.755 57.345 0.085 0.000 1.400 500 W CB -0.106 29.336 29.460 -0.030 0.000 1.361 500 W HN 0.272 nan 8.180 nan 0.000 0.456 501 P HA 0.307 nan 4.420 nan 0.000 0.282 501 P C -2.678 174.835 177.300 0.355 0.000 1.259 501 P CA -1.928 61.398 63.100 0.377 0.000 0.826 501 P CB 1.090 32.921 31.700 0.219 0.000 1.064 502 P HA 0.068 nan 4.420 nan 0.000 0.268 502 P C -0.558 176.728 177.300 -0.022 0.000 1.205 502 P CA 0.217 63.136 63.100 -0.302 0.000 0.771 502 P CB -0.024 31.485 31.700 -0.319 0.000 0.858 503 Y N 3.421 123.661 120.300 -0.099 0.000 2.442 503 Y HA 0.325 4.901 4.550 0.045 0.000 0.330 503 Y C 0.498 176.385 175.900 -0.022 0.000 1.129 503 Y CA 0.752 58.861 58.100 0.016 0.000 1.365 503 Y CB 0.290 38.779 38.460 0.048 0.000 1.233 503 Y HN 0.409 nan 8.280 nan 0.000 0.529 504 T N 0.098 114.424 114.554 -0.381 0.000 2.896 504 T HA 0.252 4.629 4.350 0.045 0.000 0.297 504 T C 0.817 175.325 174.700 -0.321 0.000 1.108 504 T CA -0.221 61.757 62.100 -0.203 0.000 1.004 504 T CB 1.257 70.052 68.868 -0.122 0.000 1.159 504 T HN 0.633 nan 8.240 nan 0.000 0.499 505 T N -0.885 113.609 114.554 -0.100 0.000 2.867 505 T HA 0.053 4.430 4.350 0.045 0.000 0.268 505 T C 2.251 176.902 174.700 -0.082 0.000 1.057 505 T CA 0.918 62.983 62.100 -0.058 0.000 1.136 505 T CB -0.762 68.123 68.868 0.029 0.000 0.874 505 T HN 0.866 nan 8.240 nan 0.000 0.466 506 A N 1.848 124.623 122.820 -0.075 0.000 1.855 506 A HA 0.470 4.817 4.320 0.045 0.000 0.215 506 A C 2.630 180.171 177.584 -0.071 0.000 1.191 506 A CA 1.658 53.663 52.037 -0.053 0.000 0.613 506 A CB -1.124 17.855 19.000 -0.034 0.000 0.829 506 A HN 0.762 nan 8.150 nan 0.000 0.442 507 A N -2.461 120.293 122.820 -0.111 0.000 2.252 507 A HA 0.339 4.686 4.320 0.045 0.000 0.213 507 A C 0.866 178.367 177.584 -0.139 0.000 1.188 507 A CA 0.776 52.758 52.037 -0.091 0.000 0.863 507 A CB -0.162 18.802 19.000 -0.059 0.000 0.893 507 A HN 0.520 nan 8.150 nan 0.000 0.495 508 Q N -0.145 119.455 119.800 -0.334 0.000 2.457 508 Q HA -0.232 4.136 4.340 0.045 0.000 0.283 508 Q C -0.683 175.238 176.000 -0.131 0.000 1.234 508 Q CA 0.726 56.218 55.803 -0.518 0.000 0.877 508 Q CB -1.734 26.909 28.738 -0.158 0.000 1.250 508 Q HN 0.840 nan 8.270 nan 0.000 0.481 509 Q N 0.360 120.108 119.800 -0.087 0.000 2.314 509 Q HA 0.440 4.808 4.340 0.045 0.000 0.258 509 Q C -0.352 175.897 176.000 0.415 0.000 0.954 509 Q CA 0.098 55.980 55.803 0.131 0.000 0.890 509 Q CB 0.516 29.297 28.738 0.072 0.000 1.210 509 Q HN 0.344 nan 8.270 nan 0.000 0.410 510 Y N -1.477 118.959 120.300 0.226 0.000 2.655 510 Y HA 0.741 5.318 4.550 0.044 0.000 0.336 510 Y C -1.137 174.795 175.900 0.054 0.000 1.154 510 Y CA -1.570 56.682 58.100 0.253 0.000 1.055 510 Y CB 0.591 39.211 38.460 0.267 0.000 1.295 510 Y HN 0.355 nan 8.280 nan 0.000 0.465 511 V N -0.489 119.374 119.914 -0.085 0.000 2.864 511 V HA 0.837 4.985 4.120 0.045 0.000 0.314 511 V C -0.373 175.644 176.094 -0.129 0.000 1.073 511 V CA -0.663 61.426 62.300 -0.352 0.000 0.956 511 V CB 1.352 32.700 31.823 -0.791 0.000 1.023 511 V HN 1.157 nan 8.190 nan 0.000 0.435 512 S N 3.911 119.535 115.700 -0.127 0.000 2.489 512 S HA 0.686 5.183 4.470 0.045 0.000 0.277 512 S C -0.403 174.172 174.600 -0.043 0.000 1.230 512 S CA -0.656 57.544 58.200 -0.001 0.000 1.053 512 S CB 0.579 63.771 63.200 -0.013 0.000 0.955 512 S HN 0.750 nan 8.310 nan 0.000 0.488 513 L N 4.317 125.570 121.223 0.050 0.000 2.255 513 L HA 0.482 4.850 4.340 0.045 0.000 0.289 513 L C 0.003 176.825 176.870 -0.081 0.000 1.046 513 L CA -0.362 54.535 54.840 0.095 0.000 0.816 513 L CB -0.208 41.997 42.059 0.243 0.000 1.197 513 L HN 0.927 nan 8.230 nan 0.000 0.427 514 N N 2.221 120.797 118.700 -0.207 0.000 3.449 514 N HA 0.317 5.084 4.740 0.045 0.000 0.312 514 N C 0.183 175.145 175.510 -0.914 0.000 1.582 514 N CA -0.946 51.684 53.050 -0.701 0.000 0.850 514 N CB 0.564 38.819 38.487 -0.388 0.000 1.822 514 N HN 0.189 nan 8.380 nan 0.000 0.577 515 L N -0.782 119.918 121.223 -0.872 0.000 2.201 515 L HA 0.089 4.457 4.340 0.045 0.000 0.212 515 L C 0.628 177.319 176.870 -0.298 0.000 1.105 515 L CA 0.951 55.397 54.840 -0.657 0.000 0.775 515 L CB -0.498 41.253 42.059 -0.514 0.000 0.913 515 L HN 0.393 nan 8.230 nan 0.000 0.440 516 K N 0.151 120.417 120.400 -0.223 0.000 2.138 516 K HA 0.236 4.583 4.320 0.045 0.000 0.251 516 K C -2.155 174.405 176.600 -0.067 0.000 1.015 516 K CA -1.819 54.399 56.287 -0.115 0.000 0.917 516 K CB -0.135 32.308 32.500 -0.095 0.000 1.021 516 K HN -0.202 nan 8.250 nan 0.000 0.485 517 P HA -0.024 nan 4.420 nan 0.000 0.270 517 P C -0.356 176.943 177.300 -0.002 0.000 1.223 517 P CA -0.157 62.949 63.100 0.011 0.000 0.785 517 P CB 0.373 32.082 31.700 0.015 0.000 0.923 518 L N 1.318 122.555 121.223 0.024 0.000 2.678 518 L HA -0.093 4.275 4.340 0.045 0.000 0.285 518 L C 1.125 177.955 176.870 -0.066 0.000 1.233 518 L CA 0.953 55.766 54.840 -0.046 0.000 0.920 518 L CB -0.345 41.687 42.059 -0.045 0.000 1.176 518 L HN 0.529 nan 8.230 nan 0.000 0.495 519 E N 3.409 123.545 120.200 -0.108 0.000 2.199 519 E HA 0.437 4.814 4.350 0.045 0.000 0.269 519 E C -1.368 175.134 176.600 -0.163 0.000 0.899 519 E CA -0.819 55.519 56.400 -0.104 0.000 0.772 519 E CB 2.061 31.709 29.700 -0.087 0.000 1.155 519 E HN 0.297 nan 8.360 nan 0.000 0.408 520 V N 4.612 124.442 119.914 -0.139 0.000 2.498 520 V HA 0.438 4.585 4.120 0.045 0.000 0.279 520 V C 0.293 176.242 176.094 -0.242 0.000 1.048 520 V CA -0.258 61.937 62.300 -0.176 0.000 0.967 520 V CB 1.038 32.814 31.823 -0.078 0.000 0.988 520 V HN 0.704 nan 8.190 nan 0.000 0.473 521 R N 3.554 123.784 120.500 -0.450 0.000 2.888 521 R HA 0.719 5.086 4.340 0.045 0.000 0.266 521 R C -0.940 175.154 176.300 -0.344 0.000 1.020 521 R CA -1.049 54.769 56.100 -0.472 0.000 0.963 521 R CB 2.555 32.410 30.300 -0.742 0.000 1.197 521 R HN 0.587 nan 8.270 nan 0.000 0.481 522 R N 0.151 120.624 120.500 -0.046 0.000 2.480 522 R HA 0.493 4.860 4.340 0.045 0.000 0.306 522 R C -0.810 175.665 176.300 0.292 0.000 0.958 522 R CA -0.494 55.679 56.100 0.122 0.000 0.861 522 R CB 2.147 32.478 30.300 0.051 0.000 1.171 522 R HN 0.902 nan 8.270 nan 0.000 0.445 523 G N 2.516 111.554 108.800 0.397 0.000 3.391 523 G HA2 -0.190 3.797 3.960 0.045 0.000 0.683 523 G HA3 -0.190 3.797 3.960 0.045 0.000 0.683 523 G C -1.197 173.889 174.900 0.310 0.000 1.071 523 G CA -0.968 44.310 45.100 0.297 0.000 0.904 523 G HN 0.388 nan 8.290 nan 0.000 0.452 524 L N 4.620 125.917 121.223 0.122 0.000 2.328 524 L HA 0.517 4.884 4.340 0.045 0.000 0.280 524 L C 1.586 178.471 176.870 0.024 0.000 1.111 524 L CA -0.631 54.123 54.840 -0.143 0.000 0.909 524 L CB -0.364 41.528 42.059 -0.279 0.000 1.277 524 L HN 0.691 nan 8.230 nan 0.000 0.433 525 R N 2.914 123.466 120.500 0.088 0.000 3.158 525 R HA -0.278 4.089 4.340 0.045 0.000 0.244 525 R C 1.165 177.559 176.300 0.157 0.000 0.900 525 R CA 0.721 56.906 56.100 0.140 0.000 0.618 525 R CB -2.367 28.030 30.300 0.162 0.000 1.061 525 R HN 0.693 nan 8.270 nan 0.000 0.471 526 A N 0.931 123.840 122.820 0.148 0.000 1.902 526 A HA -0.230 4.118 4.320 0.045 0.000 0.217 526 A C 2.140 179.814 177.584 0.149 0.000 1.181 526 A CA 1.218 53.342 52.037 0.145 0.000 0.623 526 A CB -0.074 19.004 19.000 0.130 0.000 0.818 526 A HN 0.455 nan 8.150 nan 0.000 0.443 527 Q N -0.620 119.266 119.800 0.144 0.000 2.050 527 Q HA -0.117 4.250 4.340 0.045 0.000 0.202 527 Q C 2.226 178.342 176.000 0.192 0.000 0.980 527 Q CA 2.107 57.998 55.803 0.146 0.000 0.840 527 Q CB -1.175 27.637 28.738 0.123 0.000 0.898 527 Q HN 0.635 nan 8.270 nan 0.000 0.424 528 T N 0.556 115.251 114.554 0.234 0.000 2.821 528 T HA -0.102 4.275 4.350 0.045 0.000 0.267 528 T C 2.006 176.928 174.700 0.370 0.000 1.046 528 T CA 1.043 63.309 62.100 0.277 0.000 1.139 528 T CB -0.214 68.871 68.868 0.362 0.000 0.871 528 T HN 0.311 nan 8.240 nan 0.000 0.454 529 c N 1.478 120.283 118.600 0.341 0.000 2.448 529 c HA 0.283 4.880 4.570 0.045 0.000 0.280 529 c C 3.097 177.354 174.090 0.279 0.000 1.398 529 c CA -0.039 56.508 56.329 0.363 0.000 1.774 529 c CB -1.340 41.311 42.510 0.235 0.000 1.888 529 c HN 0.637 nan 8.230 nan 0.000 0.519 530 A N 0.353 123.300 122.820 0.212 0.000 1.902 530 A HA -0.187 4.161 4.320 0.045 0.000 0.217 530 A C 1.858 179.535 177.584 0.156 0.000 1.181 530 A CA 1.593 53.727 52.037 0.161 0.000 0.623 530 A CB -0.816 18.262 19.000 0.130 0.000 0.818 530 A HN 0.543 nan 8.150 nan 0.000 0.443 531 F N -0.547 119.389 119.950 -0.023 0.000 2.043 531 F HA -0.242 4.314 4.527 0.049 0.000 0.297 531 F C 1.989 177.734 175.800 -0.092 0.000 1.121 531 F CA 2.104 60.011 58.000 -0.154 0.000 1.199 531 F CB -0.611 38.051 39.000 -0.564 0.000 0.968 531 F HN 0.388 nan 8.300 nan 0.000 0.478 532 W N 0.552 121.830 121.300 -0.038 0.000 2.381 532 W HA -0.149 4.537 4.660 0.044 0.000 0.301 532 W C 2.302 178.763 176.519 -0.097 0.000 1.205 532 W CA 1.134 58.408 57.345 -0.118 0.000 1.285 532 W CB -0.731 28.798 29.460 0.116 0.000 1.133 532 W HN -0.008 nan 8.180 nan 0.000 0.521 533 N N -0.373 118.450 118.700 0.205 0.000 2.333 533 N HA 0.006 4.773 4.740 0.045 0.000 0.178 533 N C 1.567 177.110 175.510 0.056 0.000 1.018 533 N CA 1.057 54.179 53.050 0.120 0.000 0.882 533 N CB -0.285 38.273 38.487 0.119 0.000 0.984 533 N HN 0.228 nan 8.380 nan 0.000 0.434 534 R N -1.294 119.238 120.500 0.053 0.000 2.140 534 R HA 0.224 4.592 4.340 0.045 0.000 0.200 534 R C 1.511 177.831 176.300 0.033 0.000 1.069 534 R CA 0.076 56.205 56.100 0.048 0.000 1.088 534 R CB -0.266 30.084 30.300 0.083 0.000 1.012 534 R HN 0.044 nan 8.270 nan 0.000 0.500 535 F N 1.686 121.540 119.950 -0.160 0.000 2.149 535 F HA 0.036 4.591 4.527 0.046 0.000 0.294 535 F C 2.003 177.619 175.800 -0.306 0.000 1.095 535 F CA 0.926 58.801 58.000 -0.208 0.000 1.276 535 F CB -0.212 38.672 39.000 -0.193 0.000 1.023 535 F HN -0.120 nan 8.300 nan 0.000 0.480 536 L N 0.810 121.717 121.223 -0.527 0.000 2.021 536 L HA -0.210 4.157 4.340 0.045 0.000 0.215 536 L C -0.449 176.199 176.870 -0.370 0.000 1.074 536 L CA 2.383 56.887 54.840 -0.559 0.000 0.760 536 L CB -2.047 39.716 42.059 -0.493 0.000 0.889 536 L HN 0.105 nan 8.230 nan 0.000 0.433 537 P HA -0.186 nan 4.420 nan 0.000 0.215 537 P C 1.441 178.613 177.300 -0.212 0.000 1.157 537 P CA 1.464 64.465 63.100 -0.166 0.000 0.868 537 P CB -0.087 31.555 31.700 -0.098 0.000 0.788 538 K N -0.807 119.426 120.400 -0.277 0.000 2.057 538 K HA -0.136 4.212 4.320 0.045 0.000 0.207 538 K C 2.051 178.443 176.600 -0.346 0.000 1.049 538 K CA 1.077 57.199 56.287 -0.275 0.000 0.931 538 K CB -1.326 31.009 32.500 -0.274 0.000 0.714 538 K HN 0.130 nan 8.250 nan 0.000 0.440 539 L N 1.749 122.632 121.223 -0.566 0.000 2.046 539 L HA -0.125 4.243 4.340 0.045 0.000 0.208 539 L C 2.156 178.874 176.870 -0.254 0.000 1.077 539 L CA 1.395 55.945 54.840 -0.483 0.000 0.747 539 L CB -0.521 41.155 42.059 -0.638 0.000 0.896 539 L HN 0.080 nan 8.230 nan 0.000 0.432 540 L N -1.230 119.860 121.223 -0.222 0.000 2.046 540 L HA -0.216 4.151 4.340 0.045 0.000 0.208 540 L C 2.480 179.288 176.870 -0.102 0.000 1.077 540 L CA 1.326 56.088 54.840 -0.131 0.000 0.747 540 L CB -0.677 41.319 42.059 -0.105 0.000 0.896 540 L HN 0.269 nan 8.230 nan 0.000 0.432 541 S N 0.186 115.820 115.700 -0.110 0.000 2.377 541 S HA -0.188 4.309 4.470 0.045 0.000 0.224 541 S C 1.364 175.920 174.600 -0.073 0.000 1.042 541 S CA 0.919 59.070 58.200 -0.082 0.000 1.086 541 S CB -0.592 62.559 63.200 -0.082 0.000 0.995 541 S HN 0.491 nan 8.310 nan 0.000 0.428 542 A N 0.000 122.768 122.820 -0.087 0.000 2.254 542 A HA 0.000 4.347 4.320 0.045 0.000 0.244 542 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 542 A CB 0.000 18.956 19.000 -0.073 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486