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 2ha0_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 PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXG GNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.042 0.000 1.382 4 E CA 0.000 56.419 56.400 0.031 0.000 0.976 4 E CB 0.000 29.718 29.700 0.031 0.000 0.812 5 D N 6.014 126.447 120.400 0.055 0.000 2.339 5 D HA 0.161 4.824 4.640 0.038 0.000 0.256 5 D C -1.397 174.949 176.300 0.076 0.000 1.214 5 D CA -2.095 51.954 54.000 0.081 0.000 0.877 5 D CB 1.460 42.334 40.800 0.123 0.000 1.111 5 D HN 0.273 nan 8.370 nan 0.000 0.478 6 P HA -0.124 nan 4.420 nan 0.000 0.225 6 P C 0.985 178.304 177.300 0.032 0.000 1.148 6 P CA 0.657 63.779 63.100 0.036 0.000 0.779 6 P CB 0.499 32.207 31.700 0.014 0.000 0.780 7 Q N -0.377 119.431 119.800 0.014 0.000 2.291 7 Q HA 0.027 4.390 4.340 0.038 0.000 0.205 7 Q C 1.919 178.009 176.000 0.150 0.000 0.970 7 Q CA 0.897 56.689 55.803 -0.019 0.000 0.876 7 Q CB -0.267 28.297 28.738 -0.289 0.000 0.935 7 Q HN 0.431 nan 8.270 nan 0.000 0.455 8 L N -0.123 121.202 121.223 0.170 0.000 2.628 8 L HA 0.249 4.611 4.340 0.038 0.000 0.229 8 L C 0.540 177.593 176.870 0.305 0.000 1.137 8 L CA -0.094 54.870 54.840 0.206 0.000 0.909 8 L CB 0.378 42.478 42.059 0.068 0.000 1.137 8 L HN 0.015 nan 8.230 nan 0.000 0.470 9 L N 1.299 122.652 121.223 0.217 0.000 2.298 9 L HA 0.544 4.907 4.340 0.038 0.000 0.284 9 L C -1.091 175.824 176.870 0.074 0.000 1.013 9 L CA -0.384 54.552 54.840 0.161 0.000 0.824 9 L CB 1.896 44.009 42.059 0.089 0.000 1.221 9 L HN -0.204 nan 8.230 nan 0.000 0.418 10 V N 4.703 124.629 119.914 0.021 0.000 2.735 10 V HA 0.484 4.627 4.120 0.038 0.000 0.310 10 V C -0.238 175.777 176.094 -0.132 0.000 1.061 10 V CA -0.792 61.380 62.300 -0.214 0.000 0.913 10 V CB 2.244 33.658 31.823 -0.682 0.000 1.005 10 V HN 0.680 nan 8.190 nan 0.000 0.428 11 R N 2.880 123.281 120.500 -0.166 0.000 2.229 11 R HA 0.722 5.085 4.340 0.038 0.000 0.328 11 R C -0.621 175.580 176.300 -0.164 0.000 1.009 11 R CA -0.300 55.733 56.100 -0.112 0.000 0.864 11 R CB 1.453 31.691 30.300 -0.104 0.000 1.085 11 R HN 0.722 nan 8.270 nan 0.000 0.453 12 V N 1.623 121.489 119.914 -0.081 0.000 3.234 12 V HA 0.457 4.600 4.120 0.038 0.000 0.317 12 V C 1.247 177.252 176.094 -0.148 0.000 1.147 12 V CA -0.893 61.352 62.300 -0.090 0.000 1.037 12 V CB 1.703 33.607 31.823 0.134 0.000 1.148 12 V HN 0.827 nan 8.190 nan 0.000 0.455 13 R N 0.806 121.203 120.500 -0.173 0.000 2.105 13 R HA -0.049 4.314 4.340 0.038 0.000 0.239 13 R C 2.085 178.231 176.300 -0.257 0.000 1.135 13 R CA 1.699 57.690 56.100 -0.181 0.000 0.967 13 R CB -0.722 29.488 30.300 -0.150 0.000 0.861 13 R HN 0.986 nan 8.270 nan 0.000 0.442 14 G N -0.369 108.226 108.800 -0.342 0.000 2.572 14 G HA2 0.216 4.199 3.960 0.038 0.000 0.216 14 G HA3 0.216 4.199 3.960 0.038 0.000 0.216 14 G C 0.477 174.473 174.900 -1.506 0.000 1.133 14 G CA 0.629 45.251 45.100 -0.796 0.000 0.791 14 G HN 0.588 nan 8.290 nan 0.000 0.538 15 G N -1.347 106.836 108.800 -1.028 0.000 2.340 15 G HA2 0.177 4.160 3.960 0.038 0.000 0.282 15 G HA3 0.177 4.160 3.960 0.038 0.000 0.282 15 G C -1.243 173.586 174.900 -0.118 0.000 1.312 15 G CA -0.925 43.700 45.100 -0.790 0.000 0.942 15 G HN 0.278 nan 8.290 nan 0.000 0.495 16 Q N -0.517 119.376 119.800 0.154 0.000 2.259 16 Q HA 0.708 5.071 4.340 0.038 0.000 0.246 16 Q C -0.445 175.834 176.000 0.466 0.000 0.920 16 Q CA -0.236 55.723 55.803 0.259 0.000 0.895 16 Q CB 1.731 30.569 28.738 0.167 0.000 1.220 16 Q HN 0.445 nan 8.270 nan 0.000 0.439 17 L N 1.382 122.802 121.223 0.328 0.000 2.370 17 L HA 0.603 4.966 4.340 0.038 0.000 0.266 17 L C -0.483 176.557 176.870 0.284 0.000 1.002 17 L CA -0.782 54.253 54.840 0.325 0.000 0.818 17 L CB 2.147 44.435 42.059 0.383 0.000 1.325 17 L HN 0.435 nan 8.230 nan 0.000 0.418 18 R N 0.663 121.302 120.500 0.233 0.000 2.343 18 R HA 0.615 4.978 4.340 0.038 0.000 0.320 18 R C -0.198 176.187 176.300 0.142 0.000 0.956 18 R CA -0.327 55.886 56.100 0.187 0.000 0.836 18 R CB 1.678 32.031 30.300 0.089 0.000 1.151 18 R HN 0.837 nan 8.270 nan 0.000 0.450 19 G N 3.285 112.121 108.800 0.060 0.000 2.532 19 G HA2 0.460 4.442 3.960 0.038 0.000 0.291 19 G HA3 0.460 4.442 3.960 0.038 0.000 0.291 19 G C -0.909 173.791 174.900 -0.334 0.000 1.349 19 G CA -0.642 44.183 45.100 -0.457 0.000 1.038 19 G HN 0.585 nan 8.290 nan 0.000 0.518 20 I N -0.891 119.426 120.570 -0.422 0.000 2.686 20 I HA 0.477 4.670 4.170 0.038 0.000 0.295 20 I C -0.490 175.488 176.117 -0.231 0.000 1.114 20 I CA -1.056 60.092 61.300 -0.254 0.000 1.038 20 I CB 2.145 40.010 38.000 -0.224 0.000 1.238 20 I HN 0.333 nan 8.210 nan 0.000 0.420 21 R N 7.456 127.865 120.500 -0.151 0.000 2.234 21 R HA 0.535 4.898 4.340 0.038 0.000 0.324 21 R C -1.485 174.730 176.300 -0.142 0.000 1.054 21 R CA -0.419 55.594 56.100 -0.144 0.000 0.912 21 R CB 0.727 30.909 30.300 -0.198 0.000 1.030 21 R HN 0.604 nan 8.270 nan 0.000 0.455 22 L N 3.323 124.480 121.223 -0.110 0.000 2.334 22 L HA 0.453 4.816 4.340 0.038 0.000 0.272 22 L C 0.141 176.950 176.870 -0.102 0.000 1.020 22 L CA -0.850 53.937 54.840 -0.088 0.000 0.812 22 L CB 1.717 43.756 42.059 -0.033 0.000 1.264 22 L HN 0.410 nan 8.230 nan 0.000 0.439 23 K N 1.878 122.218 120.400 -0.099 0.000 2.258 23 K HA 0.616 4.959 4.320 0.038 0.000 0.284 23 K C -0.793 175.738 176.600 -0.115 0.000 1.051 23 K CA -0.298 55.931 56.287 -0.097 0.000 0.923 23 K CB 1.200 33.655 32.500 -0.074 0.000 1.046 23 K HN 0.701 nan 8.250 nan 0.000 0.474 24 A N 5.693 128.447 122.820 -0.110 0.000 2.337 24 A HA 0.451 4.794 4.320 0.038 0.000 0.329 24 A C -1.915 175.652 177.584 -0.027 0.000 1.146 24 A CA -1.880 50.077 52.037 -0.133 0.000 0.800 24 A CB 0.880 19.782 19.000 -0.162 0.000 1.220 24 A HN 0.686 nan 8.150 nan 0.000 0.472 25 P HA -0.234 nan 4.420 nan 0.000 0.220 25 P C 1.444 178.769 177.300 0.042 0.000 1.155 25 P CA 2.453 65.593 63.100 0.066 0.000 0.880 25 P CB 0.130 31.907 31.700 0.128 0.000 0.790 26 G N -2.073 106.754 108.800 0.045 0.000 2.683 26 G HA2 0.381 4.364 3.960 0.038 0.000 0.213 26 G HA3 0.381 4.364 3.960 0.038 0.000 0.213 26 G C 0.629 175.542 174.900 0.021 0.000 1.142 26 G CA 0.664 45.784 45.100 0.034 0.000 0.793 26 G HN 0.693 nan 8.290 nan 0.000 0.534 27 G N -0.823 107.980 108.800 0.006 0.000 2.337 27 G HA2 0.393 4.375 3.960 0.038 0.000 0.298 27 G HA3 0.393 4.375 3.960 0.038 0.000 0.298 27 G C -3.360 171.522 174.900 -0.029 0.000 1.335 27 G CA -0.646 44.451 45.100 -0.005 0.000 0.875 27 G HN 0.036 nan 8.290 nan 0.000 0.579 28 P HA 0.518 nan 4.420 nan 0.000 0.274 28 P C -0.037 177.266 177.300 0.004 0.000 1.237 28 P CA -0.190 62.837 63.100 -0.123 0.000 0.793 28 P CB 1.624 33.097 31.700 -0.378 0.000 0.977 29 V N -2.082 117.841 119.914 0.016 0.000 3.078 29 V HA 0.659 4.802 4.120 0.038 0.000 0.311 29 V C -0.551 175.642 176.094 0.165 0.000 1.138 29 V CA -0.901 61.490 62.300 0.152 0.000 1.007 29 V CB 1.857 33.770 31.823 0.150 0.000 1.045 29 V HN 0.431 nan 8.190 nan 0.000 0.432 30 S N 1.906 117.752 115.700 0.244 0.000 2.429 30 S HA 0.852 5.344 4.470 0.038 0.000 0.302 30 S C 0.019 174.591 174.600 -0.047 0.000 1.115 30 S CA 0.012 58.276 58.200 0.106 0.000 1.095 30 S CB 1.128 64.481 63.200 0.256 0.000 0.987 30 S HN 1.545 nan 8.310 nan 0.000 0.474 31 A N 2.993 125.590 122.820 -0.372 0.000 2.331 31 A HA 0.817 5.160 4.320 0.038 0.000 0.320 31 A C -1.097 176.014 177.584 -0.788 0.000 1.138 31 A CA -0.631 51.080 52.037 -0.544 0.000 0.790 31 A CB 0.354 19.037 19.000 -0.529 0.000 1.206 31 A HN 0.695 nan 8.150 nan 0.000 0.470 32 F N 2.896 122.664 119.950 -0.304 0.000 2.434 32 F HA 0.459 5.009 4.527 0.038 0.000 0.367 32 F C -0.261 175.348 175.800 -0.318 0.000 1.093 32 F CA -0.312 57.585 58.000 -0.173 0.000 1.085 32 F CB 1.233 40.279 39.000 0.077 0.000 1.322 32 F HN 0.334 nan 8.300 nan 0.000 0.452 33 L N 2.176 123.243 121.223 -0.261 0.000 2.317 33 L HA 0.743 5.106 4.340 0.038 0.000 0.281 33 L C 0.839 177.597 176.870 -0.187 0.000 1.024 33 L CA -1.034 53.589 54.840 -0.361 0.000 0.810 33 L CB 1.745 43.386 42.059 -0.698 0.000 1.240 33 L HN 0.814 nan 8.230 nan 0.000 0.427 34 G N 3.146 111.897 108.800 -0.082 0.000 2.248 34 G HA2 -0.238 3.745 3.960 0.038 0.000 0.263 34 G HA3 -0.238 3.745 3.960 0.038 0.000 0.263 34 G C -0.245 174.666 174.900 0.019 0.000 1.082 34 G CA -0.414 44.641 45.100 -0.075 0.000 0.863 34 G HN 0.480 nan 8.290 nan 0.000 0.495 35 I N 2.110 122.725 120.570 0.075 0.000 2.352 35 I HA 0.261 4.454 4.170 0.038 0.000 0.290 35 I C -1.504 174.688 176.117 0.124 0.000 1.036 35 I CA -2.262 59.071 61.300 0.056 0.000 1.336 35 I CB 1.239 39.223 38.000 -0.026 0.000 1.407 35 I HN -0.025 nan 8.210 nan 0.000 0.497 36 P HA 0.051 nan 4.420 nan 0.000 0.276 36 P C -0.174 177.088 177.300 -0.065 0.000 1.243 36 P CA -0.030 62.977 63.100 -0.155 0.000 0.768 36 P CB 0.449 32.046 31.700 -0.172 0.000 0.856 37 F N 1.404 121.216 119.950 -0.231 0.000 2.682 37 F HA 0.703 5.253 4.527 0.038 0.000 0.308 37 F C 0.163 175.958 175.800 -0.008 0.000 1.093 37 F CA -0.678 57.247 58.000 -0.125 0.000 1.244 37 F CB 0.237 39.065 39.000 -0.287 0.000 1.052 37 F HN 0.301 nan 8.300 nan 0.000 0.573 38 A N 0.121 122.615 122.820 -0.543 0.000 2.566 38 A HA 0.575 4.918 4.320 0.038 0.000 0.292 38 A C -0.841 176.566 177.584 -0.294 0.000 1.112 38 A CA -0.811 51.009 52.037 -0.362 0.000 0.707 38 A CB 0.979 19.672 19.000 -0.512 0.000 1.302 38 A HN 0.068 nan 8.150 nan 0.000 0.409 39 E N 1.287 121.395 120.200 -0.154 0.000 2.384 39 E HA 0.231 4.604 4.350 0.038 0.000 0.266 39 E C -2.304 174.190 176.600 -0.177 0.000 1.012 39 E CA -1.382 54.945 56.400 -0.123 0.000 0.901 39 E CB 0.022 29.690 29.700 -0.054 0.000 0.967 39 E HN 0.222 nan 8.360 nan 0.000 0.435 40 P HA -0.031 nan 4.420 nan 0.000 0.256 40 P C -2.248 174.979 177.300 -0.121 0.000 1.173 40 P CA -0.549 62.458 63.100 -0.156 0.000 0.768 40 P CB -0.118 31.527 31.700 -0.092 0.000 0.758 41 P HA 0.028 nan 4.420 nan 0.000 0.220 41 P C -0.447 176.786 177.300 -0.111 0.000 1.806 41 P CA 0.066 63.102 63.100 -0.107 0.000 0.976 41 P CB -0.039 31.601 31.700 -0.101 0.000 1.952 42 V N -2.124 117.731 119.914 -0.098 0.000 2.919 42 V HA 0.911 5.054 4.120 0.038 0.000 0.316 42 V C 0.872 176.915 176.094 -0.085 0.000 1.077 42 V CA 0.135 62.375 62.300 -0.100 0.000 0.977 42 V CB 1.084 32.857 31.823 -0.083 0.000 1.039 42 V HN 0.574 nan 8.190 nan 0.000 0.441 43 G N 3.198 111.944 108.800 -0.089 0.000 2.601 43 G HA2 -0.349 3.634 3.960 0.038 0.000 0.306 43 G HA3 -0.349 3.634 3.960 0.038 0.000 0.306 43 G C 1.310 176.169 174.900 -0.069 0.000 1.172 43 G CA 1.580 46.639 45.100 -0.067 0.000 0.966 43 G HN 2.362 nan 8.290 nan 0.000 0.542 44 S N 0.751 116.426 115.700 -0.042 0.000 2.481 44 S HA 0.061 4.554 4.470 0.038 0.000 0.231 44 S C 1.992 176.575 174.600 -0.029 0.000 0.996 44 S CA 1.484 59.669 58.200 -0.024 0.000 0.942 44 S CB -0.118 63.078 63.200 -0.008 0.000 0.768 44 S HN 0.725 nan 8.310 nan 0.000 0.520 45 R N 0.862 121.332 120.500 -0.049 0.000 2.299 45 R HA 0.214 4.577 4.340 0.038 0.000 0.197 45 R C 0.955 177.205 176.300 -0.083 0.000 0.971 45 R CA -0.131 55.940 56.100 -0.047 0.000 1.030 45 R CB -0.158 30.112 30.300 -0.049 0.000 0.932 45 R HN 0.399 nan 8.270 nan 0.000 0.477 46 R N 0.993 121.395 120.500 -0.164 0.000 2.538 46 R HA -0.147 4.216 4.340 0.038 0.000 0.282 46 R C -0.362 175.737 176.300 -0.335 0.000 1.009 46 R CA 0.593 56.472 56.100 -0.370 0.000 1.063 46 R CB 0.097 30.038 30.300 -0.598 0.000 0.945 46 R HN 0.123 nan 8.270 nan 0.000 0.414 47 F N -0.697 119.255 119.950 0.004 0.000 2.748 47 F HA -0.324 4.226 4.527 0.038 0.000 0.370 47 F C 0.128 175.907 175.800 -0.034 0.000 0.620 47 F CA 0.725 58.703 58.000 -0.037 0.000 1.233 47 F CB -1.799 37.167 39.000 -0.055 0.000 1.708 47 F HN 0.488 nan 8.300 nan 0.000 0.298 48 M N 1.142 120.801 119.600 0.100 0.000 2.409 48 M HA 0.420 4.923 4.480 0.038 0.000 0.329 48 M C -1.968 174.354 176.300 0.035 0.000 1.180 48 M CA -1.563 53.776 55.300 0.064 0.000 1.053 48 M CB 0.771 33.396 32.600 0.041 0.000 1.586 48 M HN -0.367 nan 8.290 nan 0.000 0.461 49 P HA 0.056 nan 4.420 nan 0.000 0.267 49 P C -2.481 174.839 177.300 0.033 0.000 1.201 49 P CA -0.516 62.608 63.100 0.040 0.000 0.775 49 P CB -0.533 31.201 31.700 0.056 0.000 0.854 50 P HA 0.178 nan 4.420 nan 0.000 0.278 50 P C -0.538 176.787 177.300 0.042 0.000 1.238 50 P CA 0.058 63.172 63.100 0.024 0.000 0.794 50 P CB 0.899 32.627 31.700 0.047 0.000 0.955 51 E N 2.538 122.748 120.200 0.018 0.000 2.212 51 E HA 0.418 4.791 4.350 0.038 0.000 0.270 51 E C -2.277 174.351 176.600 0.046 0.000 0.956 51 E CA -2.308 54.115 56.400 0.037 0.000 0.825 51 E CB 0.255 29.970 29.700 0.025 0.000 1.167 51 E HN 0.321 nan 8.360 nan 0.000 0.400 52 P HA 0.001 nan 4.420 nan 0.000 0.269 52 P C -0.325 177.036 177.300 0.102 0.000 1.209 52 P CA -0.175 62.998 63.100 0.122 0.000 0.776 52 P CB 0.419 32.199 31.700 0.134 0.000 0.876 53 K N 3.557 124.041 120.400 0.141 0.000 2.416 53 K HA 0.064 4.407 4.320 0.038 0.000 0.283 53 K C 0.004 176.719 176.600 0.192 0.000 1.037 53 K CA 0.295 56.672 56.287 0.150 0.000 0.995 53 K CB 0.074 32.702 32.500 0.214 0.000 0.938 53 K HN 0.264 nan 8.250 nan 0.000 0.475 54 R N 5.464 126.057 120.500 0.156 0.000 2.590 54 R HA 0.118 4.481 4.340 0.038 0.000 0.274 54 R C -1.838 174.586 176.300 0.207 0.000 1.061 54 R CA -1.390 54.793 56.100 0.138 0.000 1.081 54 R CB -0.048 30.315 30.300 0.105 0.000 0.984 54 R HN 0.637 nan 8.270 nan 0.000 0.448 55 P HA -0.023 nan 4.420 nan 0.000 0.270 55 P C -1.191 176.150 177.300 0.068 0.000 1.223 55 P CA -0.071 62.975 63.100 -0.089 0.000 0.785 55 P CB 0.386 31.976 31.700 -0.184 0.000 0.923 56 W N 0.216 121.550 121.300 0.057 0.000 2.882 56 W HA 0.622 5.305 4.660 0.038 0.000 0.345 56 W C -0.615 175.929 176.519 0.043 0.000 1.125 56 W CA -1.064 56.311 57.345 0.051 0.000 1.167 56 W CB 0.155 29.653 29.460 0.064 0.000 1.431 56 W HN 0.413 nan 8.180 nan 0.000 0.543 57 S N 1.653 117.517 115.700 0.274 0.000 2.632 57 S HA 0.785 5.278 4.470 0.038 0.000 0.271 57 S C 0.646 175.393 174.600 0.246 0.000 1.260 57 S CA 0.173 58.472 58.200 0.165 0.000 1.010 57 S CB 0.783 64.052 63.200 0.116 0.000 0.965 57 S HN 2.201 nan 8.310 nan 0.000 0.534 58 G N 0.201 109.095 108.800 0.156 0.000 2.601 58 G HA2 -0.174 3.809 3.960 0.038 0.000 0.252 58 G HA3 -0.174 3.809 3.960 0.038 0.000 0.252 58 G C -0.593 174.443 174.900 0.227 0.000 1.294 58 G CA -0.217 44.976 45.100 0.154 0.000 0.912 58 G HN 1.696 nan 8.290 nan 0.000 0.574 59 V N 0.723 120.749 119.914 0.186 0.000 2.347 59 V HA 0.547 4.690 4.120 0.038 0.000 0.280 59 V C 0.457 176.644 176.094 0.154 0.000 1.021 59 V CA -0.517 61.902 62.300 0.199 0.000 0.847 59 V CB 1.240 33.140 31.823 0.128 0.000 0.990 59 V HN 0.833 nan 8.190 nan 0.000 0.444 60 L N 4.232 125.549 121.223 0.158 0.000 2.331 60 L HA 0.408 4.771 4.340 0.038 0.000 0.278 60 L C 0.225 177.079 176.870 -0.027 0.000 1.106 60 L CA 0.176 54.971 54.840 -0.075 0.000 0.824 60 L CB 0.938 42.708 42.059 -0.482 0.000 1.142 60 L HN 0.763 nan 8.230 nan 0.000 0.443 61 D N 4.222 124.587 120.400 -0.059 0.000 2.342 61 D HA 0.343 5.006 4.640 0.038 0.000 0.260 61 D C -0.075 176.181 176.300 -0.073 0.000 1.278 61 D CA 0.359 54.329 54.000 -0.049 0.000 0.910 61 D CB 0.848 41.610 40.800 -0.063 0.000 1.079 61 D HN 0.652 nan 8.370 nan 0.000 0.496 62 A N 3.312 126.113 122.820 -0.031 0.000 3.041 62 A HA 0.245 4.588 4.320 0.038 0.000 0.307 62 A C 1.128 178.633 177.584 -0.132 0.000 1.116 62 A CA -0.231 51.780 52.037 -0.044 0.000 1.001 62 A CB -0.280 18.789 19.000 0.114 0.000 1.112 62 A HN 0.578 nan 8.150 nan 0.000 0.556 63 T N -3.206 111.251 114.554 -0.162 0.000 3.040 63 T HA 0.246 4.619 4.350 0.038 0.000 0.250 63 T C 0.710 175.256 174.700 -0.257 0.000 1.058 63 T CA 0.803 62.778 62.100 -0.208 0.000 0.988 63 T CB -0.234 68.544 68.868 -0.149 0.000 0.993 63 T HN 0.666 nan 8.240 nan 0.000 0.519 64 T N -0.652 113.746 114.554 -0.259 0.000 2.883 64 T HA 0.690 5.063 4.350 0.038 0.000 0.301 64 T C -0.887 173.648 174.700 -0.276 0.000 1.158 64 T CA -0.925 61.015 62.100 -0.266 0.000 1.007 64 T CB 1.056 69.835 68.868 -0.148 0.000 1.186 64 T HN -0.013 nan 8.240 nan 0.000 0.499 65 F N 2.020 121.900 119.950 -0.117 0.000 2.518 65 F HA 0.338 4.888 4.527 0.038 0.000 0.359 65 F C 1.476 177.175 175.800 -0.169 0.000 1.118 65 F CA -0.177 57.754 58.000 -0.116 0.000 1.287 65 F CB 0.550 39.510 39.000 -0.067 0.000 1.132 65 F HN 0.483 nan 8.300 nan 0.000 0.587 66 Q N 1.457 121.254 119.800 -0.005 0.000 2.272 66 Q HA 0.175 4.538 4.340 0.038 0.000 0.192 66 Q C -0.109 175.829 176.000 -0.103 0.000 1.059 66 Q CA -0.583 55.075 55.803 -0.241 0.000 1.084 66 Q CB 0.499 28.797 28.738 -0.732 0.000 1.139 66 Q HN 0.519 nan 8.270 nan 0.000 0.593 67 N N -0.329 118.294 118.700 -0.128 0.000 2.416 67 N HA 0.032 4.795 4.740 0.038 0.000 0.246 67 N C -0.605 174.897 175.510 -0.014 0.000 1.260 67 N CA 0.059 53.078 53.050 -0.052 0.000 0.897 67 N CB 0.456 38.925 38.487 -0.031 0.000 1.110 67 N HN 0.171 nan 8.380 nan 0.000 0.439 68 V N 1.759 121.639 119.914 -0.056 0.000 2.583 68 V HA 0.051 4.194 4.120 0.038 0.000 0.287 68 V C 0.637 176.692 176.094 -0.065 0.000 1.051 68 V CA -0.760 61.493 62.300 -0.079 0.000 1.010 68 V CB 0.785 32.524 31.823 -0.139 0.000 0.988 68 V HN 0.703 nan 8.190 nan 0.000 0.478 69 c N 4.772 123.349 118.600 -0.038 0.000 2.634 69 c HA 0.060 4.653 4.570 0.038 0.000 0.417 69 c C 0.516 174.570 174.090 -0.060 0.000 1.334 69 c CA -0.505 55.808 56.329 -0.026 0.000 1.829 69 c CB -1.047 41.476 42.510 0.021 0.000 2.665 69 c HN 0.755 nan 8.230 nan 0.000 0.614 70 Y N 4.076 124.243 120.300 -0.222 0.000 2.632 70 Y HA 0.269 4.842 4.550 0.038 0.000 0.329 70 Y C 0.734 176.635 175.900 0.000 0.000 1.174 70 Y CA 1.005 58.967 58.100 -0.230 0.000 1.469 70 Y CB 0.158 38.275 38.460 -0.571 0.000 1.242 70 Y HN 0.756 nan 8.280 nan 0.000 0.540 71 Q N 4.342 124.103 119.800 -0.065 0.000 2.578 71 Q HA 0.202 4.565 4.340 0.038 0.000 0.284 71 Q C -1.822 174.295 176.000 0.195 0.000 0.960 71 Q CA -1.201 54.722 55.803 0.200 0.000 0.809 71 Q CB 1.123 29.944 28.738 0.137 0.000 1.462 71 Q HN 0.686 nan 8.270 nan 0.000 0.392 72 Y N 1.362 121.828 120.300 0.278 0.000 2.712 72 Y HA 0.278 4.851 4.550 0.038 0.000 0.333 72 Y C -0.884 175.162 175.900 0.243 0.000 1.225 72 Y CA 0.315 58.599 58.100 0.306 0.000 1.499 72 Y CB 0.772 39.524 38.460 0.487 0.000 1.288 72 Y HN 0.442 nan 8.280 nan 0.000 0.575 73 V N 6.862 126.507 119.914 -0.449 0.000 2.427 73 V HA 0.090 4.233 4.120 0.038 0.000 0.286 73 V C -0.304 175.392 176.094 -0.664 0.000 1.034 73 V CA -0.947 61.130 62.300 -0.371 0.000 0.893 73 V CB 1.502 33.189 31.823 -0.227 0.000 0.982 73 V HN 0.783 nan 8.190 nan 0.000 0.452 74 D N 2.727 123.006 120.400 -0.202 0.000 2.424 74 D HA 0.260 4.923 4.640 0.038 0.000 0.244 74 D C 0.914 177.213 176.300 -0.001 0.000 1.134 74 D CA 0.581 54.592 54.000 0.018 0.000 0.881 74 D CB 1.129 42.110 40.800 0.301 0.000 1.191 74 D HN 0.797 nan 8.370 nan 0.000 0.445 75 T N 0.873 115.459 114.554 0.053 0.000 3.170 75 T HA 0.044 4.417 4.350 0.038 0.000 0.288 75 T C 1.353 176.064 174.700 0.018 0.000 0.992 75 T CA -0.474 61.647 62.100 0.035 0.000 0.909 75 T CB -0.086 68.793 68.868 0.019 0.000 1.133 75 T HN 0.264 nan 8.240 nan 0.000 0.530 76 L N 0.822 122.043 121.223 -0.003 0.000 2.017 76 L HA 0.219 4.582 4.340 0.038 0.000 0.208 76 L C -0.261 176.347 176.870 -0.437 0.000 1.073 76 L CA 1.643 56.299 54.840 -0.306 0.000 0.745 76 L CB -0.338 41.391 42.059 -0.550 0.000 0.894 76 L HN 0.410 nan 8.230 nan 0.000 0.432 77 Y N 0.548 120.877 120.300 0.048 0.000 2.705 77 Y HA 0.411 4.983 4.550 0.038 0.000 0.355 77 Y C -2.219 173.726 175.900 0.076 0.000 1.039 77 Y CA -3.777 54.336 58.100 0.021 0.000 1.233 77 Y CB -0.257 38.186 38.460 -0.030 0.000 1.103 77 Y HN 0.100 nan 8.280 nan 0.000 0.624 78 P HA 0.141 nan 4.420 nan 0.000 0.267 78 P C 1.012 178.375 177.300 0.105 0.000 1.205 78 P CA 1.192 64.356 63.100 0.107 0.000 0.765 78 P CB 1.196 32.931 31.700 0.059 0.000 0.828 79 G N 2.351 111.199 108.800 0.080 0.000 2.176 79 G HA2 -0.276 3.706 3.960 0.038 0.000 0.253 79 G HA3 -0.276 3.706 3.960 0.038 0.000 0.253 79 G C -0.261 174.684 174.900 0.076 0.000 0.979 79 G CA -0.271 44.859 45.100 0.050 0.000 0.641 79 G HN 0.550 nan 8.290 nan 0.000 0.530 80 F N 2.142 122.055 119.950 -0.061 0.000 2.404 80 F HA 0.609 5.159 4.527 0.038 0.000 0.358 80 F C 1.272 176.981 175.800 -0.153 0.000 1.120 80 F CA -0.640 57.274 58.000 -0.143 0.000 1.144 80 F CB 1.209 40.099 39.000 -0.183 0.000 1.133 80 F HN 0.207 nan 8.300 nan 0.000 0.495 81 E N 3.707 123.494 120.200 -0.689 0.000 2.118 81 E HA -0.140 4.233 4.350 0.038 0.000 0.195 81 E C 2.120 178.228 176.600 -0.819 0.000 0.992 81 E CA 1.600 57.619 56.400 -0.634 0.000 0.804 81 E CB -0.265 29.142 29.700 -0.488 0.000 0.741 81 E HN 0.990 nan 8.360 nan 0.000 0.458 82 G N -0.426 107.375 108.800 -1.664 0.000 2.448 82 G HA2 -0.294 3.689 3.960 0.038 0.000 0.219 82 G HA3 -0.294 3.689 3.960 0.038 0.000 0.219 82 G C 1.653 176.529 174.900 -0.040 0.000 1.127 82 G CA 1.525 45.955 45.100 -1.117 0.000 0.766 82 G HN 0.474 nan 8.290 nan 0.000 0.552 83 T N -1.938 112.574 114.554 -0.070 0.000 3.021 83 T HA 0.136 4.508 4.350 0.038 0.000 0.245 83 T C 1.911 176.785 174.700 0.289 0.000 1.028 83 T CA 0.724 63.118 62.100 0.490 0.000 1.139 83 T CB 0.002 69.207 68.868 0.563 0.000 0.884 83 T HN 0.143 nan 8.240 nan 0.000 0.457 84 E N 2.168 122.383 120.200 0.026 0.000 2.204 84 E HA -0.090 4.283 4.350 0.038 0.000 0.195 84 E C 2.196 178.721 176.600 -0.124 0.000 0.990 84 E CA 1.325 57.708 56.400 -0.028 0.000 0.821 84 E CB -0.449 29.199 29.700 -0.086 0.000 0.750 84 E HN 0.789 nan 8.360 nan 0.000 0.477 85 M N -2.350 117.084 119.600 -0.277 0.000 2.539 85 M HA -0.058 4.445 4.480 0.038 0.000 0.261 85 M C 1.144 177.063 176.300 -0.634 0.000 1.069 85 M CA 1.338 56.333 55.300 -0.508 0.000 1.081 85 M CB -0.410 31.780 32.600 -0.684 0.000 1.412 85 M HN -0.011 nan 8.290 nan 0.000 0.482 86 W N 0.560 121.805 121.300 -0.092 0.000 3.177 86 W HA 0.310 4.992 4.660 0.037 0.000 0.309 86 W C 0.393 176.845 176.519 -0.113 0.000 1.224 86 W CA -0.954 56.321 57.345 -0.116 0.000 1.718 86 W CB -0.007 29.441 29.460 -0.020 0.000 1.078 86 W HN 0.101 nan 8.180 nan 0.000 0.618 87 N N 1.342 120.091 118.700 0.082 0.000 2.467 87 N HA 0.160 4.922 4.740 0.038 0.000 0.262 87 N C -2.453 173.009 175.510 -0.080 0.000 1.234 87 N CA -1.634 51.426 53.050 0.017 0.000 0.952 87 N CB -0.047 38.444 38.487 0.007 0.000 1.158 87 N HN -0.354 nan 8.380 nan 0.000 0.463 88 P HA 0.035 nan 4.420 nan 0.000 0.262 88 P C 0.150 177.365 177.300 -0.141 0.000 1.182 88 P CA 0.128 63.143 63.100 -0.142 0.000 0.761 88 P CB 0.265 31.877 31.700 -0.146 0.000 0.795 89 N N 2.509 121.110 118.700 -0.165 0.000 2.203 89 N HA 0.071 4.834 4.740 0.038 0.000 0.207 89 N C 0.183 175.620 175.510 -0.122 0.000 1.130 89 N CA 0.047 53.008 53.050 -0.150 0.000 0.861 89 N CB 0.394 38.772 38.487 -0.183 0.000 1.005 89 N HN 0.160 nan 8.380 nan 0.000 0.507 90 R N 0.097 120.524 120.500 -0.121 0.000 2.869 90 R HA 0.349 4.712 4.340 0.038 0.000 0.263 90 R C -0.188 176.056 176.300 -0.094 0.000 1.066 90 R CA -0.624 55.422 56.100 -0.089 0.000 0.960 90 R CB 0.771 31.027 30.300 -0.073 0.000 1.221 90 R HN 0.109 nan 8.270 nan 0.000 0.474 91 E N 1.436 121.590 120.200 -0.076 0.000 2.415 91 E HA 0.090 4.463 4.350 0.038 0.000 0.262 91 E C -0.063 176.484 176.600 -0.088 0.000 1.038 91 E CA 0.043 56.398 56.400 -0.074 0.000 0.921 91 E CB 0.610 30.280 29.700 -0.050 0.000 0.950 91 E HN 0.257 nan 8.360 nan 0.000 0.438 92 L N 1.774 122.927 121.223 -0.116 0.000 2.349 92 L HA 0.213 4.576 4.340 0.038 0.000 0.275 92 L C 0.626 177.495 176.870 -0.001 0.000 1.115 92 L CA 0.057 54.796 54.840 -0.167 0.000 0.820 92 L CB 0.953 42.724 42.059 -0.480 0.000 1.135 92 L HN 0.351 nan 8.230 nan 0.000 0.445 93 S N 0.922 116.642 115.700 0.032 0.000 2.547 93 S HA 0.233 4.725 4.470 0.038 0.000 0.270 93 S C 0.277 174.878 174.600 0.002 0.000 1.150 93 S CA -0.644 57.597 58.200 0.069 0.000 0.850 93 S CB 1.683 64.898 63.200 0.025 0.000 1.118 93 S HN 0.737 nan 8.310 nan 0.000 0.461 94 E N 0.870 121.016 120.200 -0.089 0.000 2.274 94 E HA -0.054 4.319 4.350 0.038 0.000 0.194 94 E C -0.284 176.254 176.600 -0.105 0.000 0.996 94 E CA 0.406 56.687 56.400 -0.197 0.000 0.840 94 E CB 0.121 29.648 29.700 -0.289 0.000 0.772 94 E HN 0.511 nan 8.360 nan 0.000 0.491 95 D N 0.532 120.905 120.400 -0.044 0.000 2.455 95 D HA -0.020 4.643 4.640 0.038 0.000 0.234 95 D C 0.029 176.407 176.300 0.129 0.000 1.224 95 D CA -0.122 53.885 54.000 0.012 0.000 0.999 95 D CB -0.010 40.814 40.800 0.040 0.000 1.072 95 D HN 0.169 nan 8.370 nan 0.000 0.514 96 c N 2.402 121.045 118.600 0.071 0.000 3.865 96 c HA 0.373 4.966 4.570 0.038 0.000 0.297 96 c C 0.614 174.761 174.090 0.094 0.000 1.758 96 c CA -0.664 55.774 56.329 0.181 0.000 1.778 96 c CB -1.179 41.379 42.510 0.080 0.000 3.158 96 c HN 0.414 nan 8.230 nan 0.000 0.598 97 L N 2.605 123.618 121.223 -0.349 0.000 2.387 97 L HA 0.432 4.795 4.340 0.038 0.000 0.267 97 L C -0.977 175.289 176.870 -1.007 0.000 1.197 97 L CA 0.398 54.856 54.840 -0.637 0.000 1.070 97 L CB -0.566 40.991 42.059 -0.838 0.000 1.349 97 L HN 0.393 nan 8.230 nan 0.000 0.422 98 Y N 1.893 122.197 120.300 0.007 0.000 2.576 98 Y HA 0.650 5.223 4.550 0.038 0.000 0.346 98 Y C -0.104 175.995 175.900 0.332 0.000 1.018 98 Y CA -1.258 56.920 58.100 0.129 0.000 1.050 98 Y CB 2.005 40.480 38.460 0.026 0.000 1.280 98 Y HN 0.201 nan 8.280 nan 0.000 0.474 99 L N -0.204 121.200 121.223 0.302 0.000 2.327 99 L HA 0.781 5.144 4.340 0.038 0.000 0.258 99 L C -1.372 175.495 176.870 -0.006 0.000 1.024 99 L CA -1.180 53.706 54.840 0.077 0.000 0.825 99 L CB 1.866 43.787 42.059 -0.229 0.000 1.386 99 L HN 0.488 nan 8.230 nan 0.000 0.417 100 N N 0.343 119.043 118.700 -0.001 0.000 2.258 100 N HA 0.677 5.440 4.740 0.038 0.000 0.299 100 N C -1.516 173.905 175.510 -0.148 0.000 1.047 100 N CA -0.384 52.589 53.050 -0.128 0.000 0.814 100 N CB 2.852 41.289 38.487 -0.082 0.000 1.413 100 N HN 0.510 nan 8.380 nan 0.000 0.478 101 V N 1.790 121.552 119.914 -0.255 0.000 2.487 101 V HA 0.474 4.617 4.120 0.038 0.000 0.298 101 V C -0.655 175.399 176.094 -0.066 0.000 1.028 101 V CA -0.778 61.463 62.300 -0.099 0.000 0.860 101 V CB 2.089 33.709 31.823 -0.339 0.000 0.991 101 V HN 0.541 nan 8.190 nan 0.000 0.427 102 W N 2.851 124.249 121.300 0.164 0.000 2.573 102 W HA 0.682 5.365 4.660 0.039 0.000 0.326 102 W C 0.134 176.770 176.519 0.195 0.000 1.049 102 W CA -0.474 56.976 57.345 0.175 0.000 1.220 102 W CB 2.457 31.994 29.460 0.127 0.000 1.373 102 W HN 0.639 nan 8.180 nan 0.000 0.507 103 T N -0.152 114.669 114.554 0.446 0.000 2.896 103 T HA 0.504 4.877 4.350 0.038 0.000 0.297 103 T C -2.859 172.017 174.700 0.294 0.000 1.108 103 T CA -2.489 59.821 62.100 0.351 0.000 1.004 103 T CB 2.185 71.281 68.868 0.379 0.000 1.159 103 T HN -0.075 nan 8.240 nan 0.000 0.499 104 P HA 0.182 nan 4.420 nan 0.000 0.267 104 P C -1.497 175.935 177.300 0.219 0.000 1.200 104 P CA -0.154 63.062 63.100 0.193 0.000 0.772 104 P CB 0.052 31.836 31.700 0.139 0.000 0.855 105 Y N 4.474 124.831 120.300 0.094 0.000 2.334 105 Y HA 0.395 4.968 4.550 0.038 0.000 0.336 105 Y C -1.946 173.989 175.900 0.058 0.000 0.960 105 Y CA -2.460 55.687 58.100 0.078 0.000 1.164 105 Y CB 0.975 39.468 38.460 0.054 0.000 1.155 105 Y HN 0.360 nan 8.280 nan 0.000 0.478 106 P HA 0.124 nan 4.420 nan 0.000 0.274 106 P C -0.927 176.321 177.300 -0.088 0.000 1.246 106 P CA -0.542 62.384 63.100 -0.289 0.000 0.795 106 P CB 0.859 32.443 31.700 -0.193 0.000 1.006 107 R N 1.693 122.139 120.500 -0.091 0.000 2.537 107 R HA 0.057 4.420 4.340 0.038 0.000 0.281 107 R C -1.746 174.570 176.300 0.026 0.000 0.988 107 R CA -0.794 55.317 56.100 0.019 0.000 1.077 107 R CB -0.579 29.727 30.300 0.009 0.000 0.932 107 R HN 0.366 nan 8.270 nan 0.000 0.409 108 P HA -0.041 nan 4.420 nan 0.000 0.264 108 P C -0.447 176.870 177.300 0.029 0.000 1.193 108 P CA 0.284 63.414 63.100 0.050 0.000 0.763 108 P CB 1.101 32.842 31.700 0.069 0.000 0.810 109 A N 3.360 126.191 122.820 0.019 0.000 1.930 109 A HA -0.020 4.323 4.320 0.038 0.000 0.217 109 A C 1.040 178.629 177.584 0.008 0.000 1.175 109 A CA 1.484 53.526 52.037 0.008 0.000 0.627 109 A CB -0.678 18.326 19.000 0.006 0.000 0.815 109 A HN 0.676 nan 8.150 nan 0.000 0.443 110 S N -1.124 114.583 115.700 0.013 0.000 2.566 110 S HA 0.622 5.114 4.470 0.038 0.000 0.298 110 S C -3.189 171.421 174.600 0.017 0.000 1.083 110 S CA -1.917 56.289 58.200 0.009 0.000 0.978 110 S CB 1.233 64.435 63.200 0.005 0.000 1.073 110 S HN 0.004 nan 8.310 nan 0.000 0.491 111 P HA 0.145 nan 4.420 nan 0.000 0.258 111 P C -0.531 176.781 177.300 0.021 0.000 1.172 111 P CA 0.419 63.531 63.100 0.019 0.000 0.762 111 P CB -0.128 31.576 31.700 0.006 0.000 0.764 112 T N 5.112 119.689 114.554 0.039 0.000 2.895 112 T HA 0.430 4.803 4.350 0.038 0.000 0.283 112 T C -2.434 172.289 174.700 0.038 0.000 1.014 112 T CA -2.110 60.013 62.100 0.039 0.000 1.037 112 T CB 0.805 69.710 68.868 0.061 0.000 1.006 112 T HN 0.124 nan 8.240 nan 0.000 0.468 113 P HA 0.147 nan 4.420 nan 0.000 0.265 113 P C -0.892 176.440 177.300 0.053 0.000 1.187 113 P CA -0.213 62.897 63.100 0.017 0.000 0.766 113 P CB 0.335 32.029 31.700 -0.010 0.000 0.820 114 V N 4.910 124.870 119.914 0.076 0.000 2.435 114 V HA 0.323 4.466 4.120 0.038 0.000 0.290 114 V C 0.305 176.472 176.094 0.122 0.000 1.030 114 V CA -0.496 61.874 62.300 0.116 0.000 0.881 114 V CB 1.192 33.100 31.823 0.142 0.000 0.983 114 V HN 0.354 nan 8.190 nan 0.000 0.445 115 L N 5.763 127.069 121.223 0.139 0.000 2.296 115 L HA 0.591 4.954 4.340 0.038 0.000 0.286 115 L C -0.616 176.482 176.870 0.380 0.000 1.023 115 L CA -0.322 54.614 54.840 0.159 0.000 0.812 115 L CB 1.644 43.664 42.059 -0.066 0.000 1.223 115 L HN 0.501 nan 8.230 nan 0.000 0.421 116 I N 3.052 123.888 120.570 0.443 0.000 2.354 116 I HA 0.187 4.380 4.170 0.038 0.000 0.286 116 I C -0.498 175.919 176.117 0.501 0.000 1.007 116 I CA -0.414 61.129 61.300 0.404 0.000 1.167 116 I CB 1.271 39.380 38.000 0.182 0.000 1.320 116 I HN 0.639 nan 8.210 nan 0.000 0.458 117 W N 8.545 129.976 121.300 0.218 0.000 2.287 117 W HA 0.504 5.187 4.660 0.037 0.000 0.313 117 W C -1.366 175.062 176.519 -0.152 0.000 1.267 117 W CA -0.508 56.702 57.345 -0.224 0.000 1.201 117 W CB 1.066 30.426 29.460 -0.167 0.000 1.196 117 W HN 0.363 nan 8.180 nan 0.000 0.536 118 I N 9.219 129.181 120.570 -1.013 0.000 2.382 118 I HA 0.067 4.260 4.170 0.038 0.000 0.285 118 I C -0.165 175.176 176.117 -1.293 0.000 1.007 118 I CA -1.114 59.660 61.300 -0.877 0.000 1.142 118 I CB 0.644 38.296 38.000 -0.581 0.000 1.289 118 I HN 0.302 nan 8.210 nan 0.000 0.453 119 Y N 4.685 124.516 120.300 -0.782 0.000 2.426 119 Y HA 0.644 5.217 4.550 0.038 0.000 0.344 119 Y C 0.755 176.480 175.900 -0.292 0.000 1.256 119 Y CA -0.761 57.004 58.100 -0.559 0.000 1.451 119 Y CB -0.070 38.293 38.460 -0.162 0.000 1.342 119 Y HN 0.513 nan 8.280 nan 0.000 0.600 120 G N -1.122 107.696 108.800 0.030 0.000 2.642 120 G HA2 0.504 4.487 3.960 0.038 0.000 0.291 120 G HA3 0.504 4.487 3.960 0.038 0.000 0.291 120 G C 0.208 175.051 174.900 -0.096 0.000 1.345 120 G CA -0.956 44.088 45.100 -0.094 0.000 1.043 120 G HN 1.708 nan 8.290 nan 0.000 0.528 121 G N -2.677 105.910 108.800 -0.355 0.000 2.223 121 G HA2 0.406 4.389 3.960 0.038 0.000 0.200 121 G HA3 0.406 4.389 3.960 0.038 0.000 0.200 121 G C 1.005 175.372 174.900 -0.888 0.000 1.061 121 G CA 0.692 45.453 45.100 -0.565 0.000 0.790 121 G HN 2.321 nan 8.290 nan 0.000 0.498 122 G N -0.336 107.916 108.800 -0.914 0.000 2.258 122 G HA2 -0.131 3.852 3.960 0.038 0.000 0.274 122 G HA3 -0.131 3.852 3.960 0.038 0.000 0.274 122 G C 0.934 175.535 174.900 -0.499 0.000 1.021 122 G CA 0.734 45.031 45.100 -1.339 0.000 0.798 122 G HN 1.766 nan 8.290 nan 0.000 0.507 123 F N -3.338 116.485 119.950 -0.212 0.000 2.987 123 F HA -0.338 4.212 4.527 0.038 0.000 0.309 123 F C 1.519 177.414 175.800 0.158 0.000 0.724 123 F CA 2.190 60.191 58.000 0.002 0.000 1.079 123 F CB -2.094 36.738 39.000 -0.280 0.000 1.432 123 F HN 0.888 nan 8.300 nan 0.000 0.351 124 Y N -0.817 119.567 120.300 0.139 0.000 2.481 124 Y HA 0.638 5.210 4.550 0.038 0.000 0.247 124 Y C 0.578 176.589 175.900 0.186 0.000 1.151 124 Y CA 0.185 58.389 58.100 0.173 0.000 1.238 124 Y CB 0.026 38.520 38.460 0.057 0.000 1.179 124 Y HN 0.093 nan 8.280 nan 0.000 0.524 125 S N -1.016 114.481 115.700 -0.338 0.000 2.636 125 S HA 0.858 5.351 4.470 0.038 0.000 0.268 125 S C -0.262 174.184 174.600 -0.257 0.000 1.159 125 S CA -0.470 57.562 58.200 -0.280 0.000 0.815 125 S CB 1.439 64.359 63.200 -0.467 0.000 1.130 125 S HN 1.348 nan 8.310 nan 0.000 0.471 126 G N -0.646 107.967 108.800 -0.311 0.000 2.392 126 G HA2 0.565 4.548 3.960 0.038 0.000 0.677 126 G HA3 0.565 4.548 3.960 0.038 0.000 0.677 126 G C -0.730 173.562 174.900 -1.014 0.000 1.334 126 G CA -0.193 44.553 45.100 -0.589 0.000 0.961 126 G HN 2.243 nan 8.290 nan 0.000 0.616 127 A N -1.125 120.999 122.820 -1.159 0.000 2.594 127 A HA 0.989 5.331 4.320 0.038 0.000 0.296 127 A C 0.612 178.012 177.584 -0.308 0.000 1.061 127 A CA 0.619 52.169 52.037 -0.811 0.000 0.689 127 A CB 0.929 19.697 19.000 -0.387 0.000 1.280 127 A HN 2.582 nan 8.150 nan 0.000 0.406 128 A N 0.516 123.373 122.820 0.061 0.000 2.209 128 A HA 0.225 4.568 4.320 0.038 0.000 0.212 128 A C 1.694 179.282 177.584 0.008 0.000 1.158 128 A CA 1.854 54.086 52.037 0.326 0.000 0.742 128 A CB -0.598 18.660 19.000 0.429 0.000 0.790 128 A HN 1.795 nan 8.150 nan 0.000 0.472 129 S N -0.590 114.870 115.700 -0.401 0.000 2.575 129 S HA 0.310 4.803 4.470 0.038 0.000 0.215 129 S C 0.500 174.678 174.600 -0.703 0.000 0.966 129 S CA -0.450 57.068 58.200 -1.136 0.000 0.911 129 S CB -0.545 61.979 63.200 -1.128 0.000 0.780 129 S HN 0.389 nan 8.310 nan 0.000 0.514 130 L N 2.298 123.241 121.223 -0.467 0.000 2.483 130 L HA 0.147 4.510 4.340 0.038 0.000 0.276 130 L C 1.136 177.680 176.870 -0.543 0.000 1.213 130 L CA -0.441 54.069 54.840 -0.550 0.000 0.843 130 L CB 0.201 41.800 42.059 -0.767 0.000 1.107 130 L HN 0.058 nan 8.230 nan 0.000 0.487 131 D N 1.099 121.224 120.400 -0.459 0.000 2.149 131 D HA -0.147 4.516 4.640 0.038 0.000 0.198 131 D C 2.007 178.054 176.300 -0.422 0.000 0.990 131 D CA 1.313 55.112 54.000 -0.336 0.000 0.839 131 D CB -0.033 40.602 40.800 -0.275 0.000 0.948 131 D HN 0.534 nan 8.370 nan 0.000 0.460 132 V N -1.371 118.156 119.914 -0.645 0.000 2.913 132 V HA -0.173 3.970 4.120 0.038 0.000 0.260 132 V C 1.156 176.751 176.094 -0.831 0.000 1.098 132 V CA 1.097 63.001 62.300 -0.660 0.000 1.121 132 V CB -1.111 30.294 31.823 -0.696 0.000 0.714 132 V HN 0.077 nan 8.190 nan 0.000 0.487 133 Y N 0.395 120.157 120.300 -0.897 0.000 2.532 133 Y HA 0.445 5.017 4.550 0.038 0.000 0.283 133 Y C 0.804 176.067 175.900 -1.061 0.000 1.181 133 Y CA -1.871 55.320 58.100 -1.515 0.000 1.256 133 Y CB -0.911 37.051 38.460 -0.829 0.000 1.112 133 Y HN 0.269 nan 8.280 nan 0.000 0.521 134 D N 0.599 120.674 120.400 -0.541 0.000 2.382 134 D HA 0.079 4.742 4.640 0.038 0.000 0.259 134 D C 1.389 177.371 176.300 -0.531 0.000 1.224 134 D CA 0.337 54.119 54.000 -0.364 0.000 0.894 134 D CB 1.314 42.045 40.800 -0.115 0.000 1.127 134 D HN 0.439 nan 8.370 nan 0.000 0.487 135 G N 3.860 111.777 108.800 -1.471 0.000 2.920 135 G HA2 -0.156 3.827 3.960 0.038 0.000 0.208 135 G HA3 -0.156 3.827 3.960 0.038 0.000 0.208 135 G C 1.451 175.791 174.900 -0.933 0.000 1.159 135 G CA 0.201 44.589 45.100 -1.187 0.000 0.784 135 G HN 0.617 nan 8.290 nan 0.000 0.535 136 R N -0.814 119.105 120.500 -0.968 0.000 2.115 136 R HA 0.047 4.410 4.340 0.038 0.000 0.230 136 R C 1.672 177.726 176.300 -0.410 0.000 1.111 136 R CA 1.079 56.831 56.100 -0.579 0.000 0.976 136 R CB -0.604 29.378 30.300 -0.529 0.000 0.870 136 R HN 0.292 nan 8.270 nan 0.000 0.445 137 F N 1.469 121.327 119.950 -0.153 0.000 2.128 137 F HA 0.068 4.619 4.527 0.039 0.000 0.295 137 F C 2.237 177.985 175.800 -0.088 0.000 1.100 137 F CA 0.798 58.738 58.000 -0.100 0.000 1.260 137 F CB -0.488 38.444 39.000 -0.113 0.000 1.009 137 F HN -0.135 nan 8.300 nan 0.000 0.476 138 L N -0.260 121.006 121.223 0.072 0.000 2.083 138 L HA -0.217 4.146 4.340 0.038 0.000 0.209 138 L C 2.679 179.562 176.870 0.022 0.000 1.083 138 L CA 1.179 56.020 54.840 0.002 0.000 0.752 138 L CB -0.912 41.108 42.059 -0.066 0.000 0.899 138 L HN 0.175 nan 8.230 nan 0.000 0.433 139 A N -1.028 121.810 122.820 0.029 0.000 1.855 139 A HA -0.228 4.115 4.320 0.038 0.000 0.215 139 A C 2.284 179.915 177.584 0.078 0.000 1.191 139 A CA 1.432 53.522 52.037 0.088 0.000 0.613 139 A CB -0.517 18.579 19.000 0.159 0.000 0.829 139 A HN 0.364 nan 8.150 nan 0.000 0.442 140 Q N -0.033 119.797 119.800 0.049 0.000 2.016 140 Q HA -0.101 4.261 4.340 0.038 0.000 0.200 140 Q C 2.227 178.259 176.000 0.054 0.000 0.978 140 Q CA 2.175 58.010 55.803 0.052 0.000 0.833 140 Q CB -0.368 28.381 28.738 0.019 0.000 0.895 140 Q HN 0.413 nan 8.270 nan 0.000 0.427 141 V N 1.128 121.073 119.914 0.053 0.000 2.346 141 V HA -0.115 4.028 4.120 0.038 0.000 0.244 141 V C 1.813 177.924 176.094 0.029 0.000 1.037 141 V CA 1.578 63.904 62.300 0.043 0.000 1.029 141 V CB -0.235 31.613 31.823 0.043 0.000 0.663 141 V HN 0.231 nan 8.190 nan 0.000 0.454 142 E N -0.172 120.043 120.200 0.025 0.000 2.474 142 E HA 0.194 4.567 4.350 0.038 0.000 0.195 142 E C 1.718 178.336 176.600 0.030 0.000 1.039 142 E CA 0.719 57.129 56.400 0.018 0.000 0.881 142 E CB 0.445 30.146 29.700 0.002 0.000 0.970 142 E HN 0.610 nan 8.360 nan 0.000 0.486 143 G N 1.590 110.418 108.800 0.047 0.000 2.179 143 G HA2 -0.311 3.672 3.960 0.038 0.000 0.257 143 G HA3 -0.311 3.672 3.960 0.038 0.000 0.257 143 G C 0.494 175.436 174.900 0.070 0.000 1.010 143 G CA 0.434 45.571 45.100 0.061 0.000 0.736 143 G HN 0.486 nan 8.290 nan 0.000 0.513 144 A N -0.843 122.018 122.820 0.068 0.000 2.322 144 A HA 0.757 5.099 4.320 0.038 0.000 0.269 144 A C 0.432 178.092 177.584 0.127 0.000 1.094 144 A CA -0.010 52.072 52.037 0.076 0.000 0.807 144 A CB 1.324 20.351 19.000 0.044 0.000 1.047 144 A HN 1.101 nan 8.150 nan 0.000 0.487 145 V N 2.421 122.418 119.914 0.140 0.000 2.364 145 V HA 0.344 4.487 4.120 0.038 0.000 0.272 145 V C -0.146 176.077 176.094 0.215 0.000 1.036 145 V CA -0.095 62.319 62.300 0.189 0.000 0.880 145 V CB 0.718 32.644 31.823 0.172 0.000 0.991 145 V HN 0.717 nan 8.190 nan 0.000 0.460 146 L N 6.542 127.947 121.223 0.304 0.000 2.322 146 L HA 0.758 5.121 4.340 0.038 0.000 0.281 146 L C -0.716 176.442 176.870 0.481 0.000 1.014 146 L CA -0.154 54.917 54.840 0.386 0.000 0.815 146 L CB 1.758 44.042 42.059 0.376 0.000 1.247 146 L HN 0.446 nan 8.230 nan 0.000 0.421 147 V N 3.154 123.327 119.914 0.432 0.000 2.680 147 V HA 0.739 4.882 4.120 0.038 0.000 0.309 147 V C -0.496 175.853 176.094 0.425 0.000 1.052 147 V CA -0.434 62.077 62.300 0.352 0.000 0.908 147 V CB 1.997 33.944 31.823 0.207 0.000 1.001 147 V HN 0.855 nan 8.190 nan 0.000 0.431 148 S N 4.925 120.861 115.700 0.394 0.000 2.541 148 S HA 0.869 5.362 4.470 0.038 0.000 0.280 148 S C -0.873 173.869 174.600 0.235 0.000 1.112 148 S CA -0.822 57.610 58.200 0.387 0.000 0.925 148 S CB 2.224 65.778 63.200 0.590 0.000 1.067 148 S HN 0.888 nan 8.310 nan 0.000 0.479 149 M N 1.352 121.048 119.600 0.160 0.000 2.602 149 M HA 0.653 5.156 4.480 0.038 0.000 0.312 149 M C -1.610 174.872 176.300 0.302 0.000 1.181 149 M CA -0.582 54.795 55.300 0.128 0.000 0.910 149 M CB 1.015 33.506 32.600 -0.182 0.000 1.723 149 M HN 0.546 nan 8.290 nan 0.000 0.459 150 N N 2.597 121.541 118.700 0.407 0.000 2.529 150 N HA 0.555 5.318 4.740 0.038 0.000 0.278 150 N C -1.411 174.350 175.510 0.418 0.000 1.146 150 N CA 0.110 53.419 53.050 0.432 0.000 0.980 150 N CB 0.491 39.185 38.487 0.344 0.000 1.124 150 N HN 0.719 nan 8.380 nan 0.000 0.458 151 Y N -1.714 118.740 120.300 0.256 0.000 2.524 151 Y HA 0.565 5.138 4.550 0.038 0.000 0.347 151 Y C -0.020 176.005 175.900 0.209 0.000 1.005 151 Y CA -1.338 56.870 58.100 0.180 0.000 1.025 151 Y CB 0.980 39.474 38.460 0.058 0.000 1.275 151 Y HN 0.197 nan 8.280 nan 0.000 0.460 152 R N 1.962 122.621 120.500 0.265 0.000 2.570 152 R HA 0.450 4.813 4.340 0.038 0.000 0.277 152 R C -0.328 176.150 176.300 0.295 0.000 1.039 152 R CA -0.034 56.176 56.100 0.183 0.000 1.065 152 R CB 0.787 31.148 30.300 0.102 0.000 0.964 152 R HN 0.727 nan 8.270 nan 0.000 0.428 153 V N -0.229 119.888 119.914 0.337 0.000 3.155 153 V HA 0.896 5.039 4.120 0.038 0.000 0.313 153 V C 0.656 177.068 176.094 0.531 0.000 1.162 153 V CA -0.094 62.513 62.300 0.511 0.000 1.048 153 V CB 1.270 33.296 31.823 0.338 0.000 1.092 153 V HN 0.980 nan 8.190 nan 0.000 0.447 154 G N 1.895 111.034 108.800 0.565 0.000 2.564 154 G HA2 -0.270 3.713 3.960 0.038 0.000 0.273 154 G HA3 -0.270 3.713 3.960 0.038 0.000 0.273 154 G C 1.008 176.042 174.900 0.224 0.000 1.242 154 G CA 1.301 46.649 45.100 0.414 0.000 0.951 154 G HN 2.411 nan 8.290 nan 0.000 0.564 155 T N -1.797 112.616 114.554 -0.235 0.000 2.759 155 T HA -0.095 4.278 4.350 0.038 0.000 0.269 155 T C 2.124 176.692 174.700 -0.219 0.000 1.042 155 T CA 2.628 64.343 62.100 -0.642 0.000 1.140 155 T CB -0.393 67.944 68.868 -0.885 0.000 0.864 155 T HN 0.606 nan 8.240 nan 0.000 0.455 156 F N 2.082 122.099 119.950 0.111 0.000 2.234 156 F HA 0.253 4.802 4.527 0.038 0.000 0.299 156 F C 2.767 178.580 175.800 0.022 0.000 1.087 156 F CA 0.773 58.805 58.000 0.054 0.000 1.340 156 F CB -0.890 38.107 39.000 -0.005 0.000 1.031 156 F HN 0.374 nan 8.300 nan 0.000 0.500 157 G N -2.007 106.880 108.800 0.145 0.000 2.656 157 G HA2 0.008 3.991 3.960 0.038 0.000 0.211 157 G HA3 0.008 3.991 3.960 0.038 0.000 0.211 157 G C 0.900 175.350 174.900 -0.750 0.000 1.137 157 G CA 0.247 45.173 45.100 -0.291 0.000 0.802 157 G HN 0.338 nan 8.290 nan 0.000 0.527 158 F N -0.582 119.449 119.950 0.135 0.000 2.856 158 F HA 0.437 4.987 4.527 0.039 0.000 0.338 158 F C 0.480 176.336 175.800 0.092 0.000 1.100 158 F CA -0.998 57.055 58.000 0.089 0.000 1.150 158 F CB 0.341 39.401 39.000 0.100 0.000 1.101 158 F HN -0.092 nan 8.300 nan 0.000 0.548 159 L N 2.147 123.394 121.223 0.041 0.000 2.513 159 L HA 0.498 4.861 4.340 0.038 0.000 0.272 159 L C -0.042 176.755 176.870 -0.122 0.000 1.187 159 L CA 0.075 54.818 54.840 -0.162 0.000 0.895 159 L CB 0.399 42.056 42.059 -0.670 0.000 1.147 159 L HN 0.129 nan 8.230 nan 0.000 0.483 160 A N 6.444 129.242 122.820 -0.036 0.000 2.427 160 A HA 0.624 4.966 4.320 0.038 0.000 0.298 160 A C -1.109 176.442 177.584 -0.054 0.000 1.036 160 A CA -0.583 51.430 52.037 -0.041 0.000 0.701 160 A CB 1.255 20.269 19.000 0.024 0.000 1.250 160 A HN 0.693 nan 8.150 nan 0.000 0.412 161 L N 3.441 124.618 121.223 -0.075 0.000 2.371 161 L HA 0.315 4.678 4.340 0.038 0.000 0.262 161 L C -2.459 174.394 176.870 -0.028 0.000 1.054 161 L CA -1.865 52.943 54.840 -0.053 0.000 0.924 161 L CB 1.435 43.450 42.059 -0.072 0.000 1.295 161 L HN 0.415 nan 8.230 nan 0.000 0.441 162 P HA 0.057 nan 4.420 nan 0.000 0.265 162 P C 0.949 178.247 177.300 -0.004 0.000 1.193 162 P CA 0.705 63.802 63.100 -0.005 0.000 0.765 162 P CB 0.895 32.593 31.700 -0.003 0.000 0.823 163 G N 1.577 110.379 108.800 0.003 0.000 2.225 163 G HA2 -0.244 3.739 3.960 0.038 0.000 0.254 163 G HA3 -0.244 3.739 3.960 0.038 0.000 0.254 163 G C 0.353 175.255 174.900 0.004 0.000 0.988 163 G CA 0.287 45.389 45.100 0.004 0.000 0.625 163 G HN 0.817 nan 8.290 nan 0.000 0.527 164 S N -0.067 115.633 115.700 -0.000 0.000 2.584 164 S HA 0.650 5.143 4.470 0.038 0.000 0.273 164 S C 1.369 175.975 174.600 0.010 0.000 1.311 164 S CA 0.030 58.230 58.200 0.000 0.000 1.034 164 S CB 1.711 64.904 63.200 -0.011 0.000 0.939 164 S HN 0.359 nan 8.310 nan 0.000 0.513 165 R N 1.320 121.829 120.500 0.014 0.000 2.093 165 R HA -0.015 4.348 4.340 0.038 0.000 0.224 165 R C 1.582 177.900 176.300 0.030 0.000 1.101 165 R CA 1.401 57.514 56.100 0.022 0.000 0.979 165 R CB -0.322 29.990 30.300 0.021 0.000 0.877 165 R HN 0.745 nan 8.270 nan 0.000 0.441 166 E N 0.212 120.430 120.200 0.030 0.000 2.170 166 E HA 0.042 4.415 4.350 0.038 0.000 0.191 166 E C 0.246 176.888 176.600 0.071 0.000 0.981 166 E CA 0.862 57.292 56.400 0.051 0.000 0.830 166 E CB 0.437 30.167 29.700 0.050 0.000 0.775 166 E HN 0.197 nan 8.360 nan 0.000 0.470 167 A N 0.988 123.825 122.820 0.027 0.000 3.216 167 A HA 0.279 4.622 4.320 0.038 0.000 0.321 167 A C -2.138 175.439 177.584 -0.012 0.000 1.042 167 A CA -1.001 51.038 52.037 0.003 0.000 0.838 167 A CB 0.431 19.349 19.000 -0.136 0.000 1.136 167 A HN -0.059 nan 8.150 nan 0.000 0.483 168 P HA 0.164 nan 4.420 nan 0.000 0.229 168 P C 0.851 178.160 177.300 0.015 0.000 1.160 168 P CA 1.641 64.751 63.100 0.016 0.000 0.777 168 P CB 0.245 31.964 31.700 0.032 0.000 0.814 169 G N 0.648 109.452 108.800 0.008 0.000 2.619 169 G HA2 -0.145 3.838 3.960 0.038 0.000 0.686 169 G HA3 -0.145 3.838 3.960 0.038 0.000 0.686 169 G C -0.227 174.660 174.900 -0.021 0.000 1.256 169 G CA -0.346 44.759 45.100 0.010 0.000 0.826 169 G HN 0.094 nan 8.290 nan 0.000 0.619 170 N N -2.212 116.473 118.700 -0.026 0.000 2.708 170 N HA -0.273 4.490 4.740 0.038 0.000 0.251 170 N C 1.878 177.229 175.510 -0.264 0.000 1.123 170 N CA 2.318 55.286 53.050 -0.136 0.000 0.739 170 N CB -1.644 36.688 38.487 -0.259 0.000 1.113 170 N HN 1.905 nan 8.380 nan 0.000 0.561 171 V N -2.771 116.987 119.914 -0.262 0.000 2.515 171 V HA 0.011 4.154 4.120 0.038 0.000 0.250 171 V C 2.309 178.264 176.094 -0.231 0.000 1.058 171 V CA 2.245 64.438 62.300 -0.177 0.000 1.064 171 V CB -0.864 30.908 31.823 -0.085 0.000 0.675 171 V HN 0.264 nan 8.190 nan 0.000 0.461 172 G N 0.371 108.848 108.800 -0.539 0.000 2.432 172 G HA2 -0.128 3.855 3.960 0.038 0.000 0.219 172 G HA3 -0.128 3.855 3.960 0.038 0.000 0.219 172 G C 1.543 176.377 174.900 -0.110 0.000 1.135 172 G CA 1.155 46.056 45.100 -0.333 0.000 0.767 172 G HN 0.547 nan 8.290 nan 0.000 0.550 173 L N -0.245 120.865 121.223 -0.187 0.000 2.131 173 L HA 0.131 4.494 4.340 0.038 0.000 0.206 173 L C 2.773 179.626 176.870 -0.028 0.000 1.087 173 L CA 0.237 54.939 54.840 -0.231 0.000 0.767 173 L CB -0.278 41.333 42.059 -0.746 0.000 0.917 173 L HN 0.160 nan 8.230 nan 0.000 0.441 174 L N -0.404 120.809 121.223 -0.017 0.000 2.131 174 L HA -0.216 4.147 4.340 0.038 0.000 0.210 174 L C 2.175 179.152 176.870 0.178 0.000 1.092 174 L CA 0.883 55.822 54.840 0.166 0.000 0.759 174 L CB -0.628 41.511 42.059 0.133 0.000 0.903 174 L HN 0.291 nan 8.230 nan 0.000 0.435 175 D N -0.000 120.489 120.400 0.150 0.000 2.092 175 D HA -0.214 4.449 4.640 0.038 0.000 0.193 175 D C 2.266 178.708 176.300 0.236 0.000 0.994 175 D CA 1.246 55.414 54.000 0.281 0.000 0.828 175 D CB -0.253 40.731 40.800 0.307 0.000 0.963 175 D HN 0.396 nan 8.370 nan 0.000 0.450 176 Q N 0.137 120.003 119.800 0.111 0.000 2.061 176 Q HA -0.168 4.195 4.340 0.038 0.000 0.204 176 Q C 2.315 178.297 176.000 -0.031 0.000 0.984 176 Q CA 1.258 57.052 55.803 -0.015 0.000 0.846 176 Q CB -0.113 28.622 28.738 -0.005 0.000 0.902 176 Q HN 0.209 nan 8.270 nan 0.000 0.421 177 R N 0.518 121.105 120.500 0.145 0.000 2.081 177 R HA -0.181 4.182 4.340 0.038 0.000 0.235 177 R C 2.216 178.574 176.300 0.097 0.000 1.131 177 R CA 1.070 57.249 56.100 0.132 0.000 0.960 177 R CB -0.270 30.220 30.300 0.317 0.000 0.856 177 R HN 0.218 nan 8.270 nan 0.000 0.436 178 L N 0.921 122.236 121.223 0.153 0.000 2.042 178 L HA -0.110 4.252 4.340 0.038 0.000 0.210 178 L C 2.293 179.231 176.870 0.113 0.000 1.076 178 L CA 2.182 57.144 54.840 0.204 0.000 0.749 178 L CB -0.767 41.500 42.059 0.346 0.000 0.893 178 L HN 0.296 nan 8.230 nan 0.000 0.432 179 A N -1.218 121.475 122.820 -0.212 0.000 1.933 179 A HA -0.151 4.192 4.320 0.038 0.000 0.218 179 A C 2.108 179.648 177.584 -0.073 0.000 1.175 179 A CA 1.691 53.449 52.037 -0.466 0.000 0.628 179 A CB -0.695 17.781 19.000 -0.873 0.000 0.814 179 A HN 0.410 nan 8.150 nan 0.000 0.444 180 L N -0.668 120.522 121.223 -0.056 0.000 2.046 180 L HA -0.164 4.199 4.340 0.038 0.000 0.208 180 L C 2.614 179.542 176.870 0.097 0.000 1.077 180 L CA 2.181 57.025 54.840 0.006 0.000 0.747 180 L CB -0.909 41.109 42.059 -0.069 0.000 0.896 180 L HN 0.508 nan 8.230 nan 0.000 0.432 181 Q N -1.396 118.474 119.800 0.116 0.000 2.124 181 Q HA -0.263 4.100 4.340 0.038 0.000 0.202 181 Q C 2.170 178.272 176.000 0.170 0.000 0.977 181 Q CA 1.712 57.593 55.803 0.130 0.000 0.850 181 Q CB -0.636 28.181 28.738 0.132 0.000 0.901 181 Q HN 0.504 nan 8.270 nan 0.000 0.429 182 W N -0.613 120.715 121.300 0.046 0.000 2.338 182 W HA -0.212 4.471 4.660 0.038 0.000 0.304 182 W C 1.825 178.383 176.519 0.065 0.000 1.212 182 W CA 1.884 59.272 57.345 0.072 0.000 1.264 182 W CB -0.221 29.287 29.460 0.080 0.000 1.142 182 W HN 0.018 nan 8.180 nan 0.000 0.512 183 V N 0.727 120.882 119.914 0.402 0.000 2.343 183 V HA -0.337 3.806 4.120 0.038 0.000 0.247 183 V C 2.528 178.668 176.094 0.077 0.000 1.051 183 V CA 2.001 64.458 62.300 0.262 0.000 1.036 183 V CB -0.946 31.028 31.823 0.252 0.000 0.654 183 V HN 0.207 nan 8.190 nan 0.000 0.451 184 Q N -0.031 119.812 119.800 0.071 0.000 2.096 184 Q HA -0.234 4.129 4.340 0.038 0.000 0.204 184 Q C 2.210 178.193 176.000 -0.028 0.000 0.982 184 Q CA 1.848 57.674 55.803 0.038 0.000 0.850 184 Q CB -0.283 28.483 28.738 0.046 0.000 0.901 184 Q HN 0.735 nan 8.270 nan 0.000 0.422 185 E N -0.276 119.871 120.200 -0.089 0.000 2.158 185 E HA -0.035 4.338 4.350 0.038 0.000 0.191 185 E C 1.323 177.773 176.600 -0.250 0.000 0.982 185 E CA 0.541 56.847 56.400 -0.156 0.000 0.823 185 E CB 0.204 29.799 29.700 -0.175 0.000 0.766 185 E HN 0.317 nan 8.360 nan 0.000 0.468 186 N N -0.171 118.295 118.700 -0.389 0.000 2.239 186 N HA 0.034 4.797 4.740 0.038 0.000 0.208 186 N C 1.421 176.849 175.510 -0.136 0.000 1.200 186 N CA 0.072 52.838 53.050 -0.473 0.000 0.895 186 N CB 0.563 38.309 38.487 -1.235 0.000 1.085 186 N HN 0.043 nan 8.380 nan 0.000 0.500 187 I N 2.281 122.835 120.570 -0.027 0.000 2.493 187 I HA -0.039 4.153 4.170 0.038 0.000 0.254 187 I C 2.129 178.373 176.117 0.211 0.000 1.160 187 I CA 0.515 61.931 61.300 0.194 0.000 1.445 187 I CB -0.222 37.865 38.000 0.144 0.000 1.086 187 I HN 0.036 nan 8.210 nan 0.000 0.433 188 A N 0.373 123.238 122.820 0.075 0.000 1.978 188 A HA -0.177 4.166 4.320 0.038 0.000 0.220 188 A C 2.479 180.062 177.584 -0.000 0.000 1.170 188 A CA 1.691 53.749 52.037 0.036 0.000 0.636 188 A CB -1.104 17.891 19.000 -0.009 0.000 0.810 188 A HN 0.477 nan 8.150 nan 0.000 0.448 189 A N -1.426 121.355 122.820 -0.066 0.000 2.070 189 A HA 0.053 4.395 4.320 0.038 0.000 0.220 189 A C 1.572 178.939 177.584 -0.361 0.000 1.159 189 A CA 1.269 53.150 52.037 -0.261 0.000 0.656 189 A CB -0.633 18.104 19.000 -0.438 0.000 0.800 189 A HN 0.514 nan 8.150 nan 0.000 0.453 190 F N -1.275 118.631 119.950 -0.075 0.000 2.727 190 F HA 0.382 4.932 4.527 0.038 0.000 0.302 190 F C 1.797 177.606 175.800 0.014 0.000 1.097 190 F CA 0.504 58.476 58.000 -0.047 0.000 1.330 190 F CB 0.185 39.169 39.000 -0.027 0.000 1.084 190 F HN 0.327 nan 8.300 nan 0.000 0.578 191 G N 0.178 109.065 108.800 0.146 0.000 2.157 191 G HA2 -0.186 3.796 3.960 0.038 0.000 0.239 191 G HA3 -0.186 3.796 3.960 0.038 0.000 0.239 191 G C 0.678 175.647 174.900 0.115 0.000 0.982 191 G CA -0.286 44.877 45.100 0.105 0.000 0.650 191 G HN 0.721 nan 8.290 nan 0.000 0.527 192 G N -0.434 108.457 108.800 0.151 0.000 2.503 192 G HA2 0.455 4.438 3.960 0.038 0.000 0.257 192 G HA3 0.455 4.438 3.960 0.038 0.000 0.257 192 G C -0.625 174.325 174.900 0.083 0.000 1.214 192 G CA 0.368 45.542 45.100 0.124 0.000 0.839 192 G HN 0.236 nan 8.290 nan 0.000 0.559 193 D N 1.239 121.677 120.400 0.063 0.000 2.412 193 D HA 0.291 4.953 4.640 0.038 0.000 0.224 193 D C -1.201 175.129 176.300 0.050 0.000 1.093 193 D CA -2.382 51.638 54.000 0.034 0.000 0.850 193 D CB 1.934 42.734 40.800 0.000 0.000 1.046 193 D HN 0.060 nan 8.370 nan 0.000 0.507 194 P HA -0.035 nan 4.420 nan 0.000 0.233 194 P C 1.161 178.556 177.300 0.159 0.000 1.167 194 P CA 0.513 63.676 63.100 0.106 0.000 0.770 194 P CB 0.191 31.936 31.700 0.076 0.000 0.837 195 M N -1.180 118.442 119.600 0.036 0.000 2.561 195 M HA 0.082 4.585 4.480 0.038 0.000 0.238 195 M C 0.663 176.606 176.300 -0.595 0.000 1.131 195 M CA 0.555 55.779 55.300 -0.128 0.000 1.046 195 M CB 0.082 32.615 32.600 -0.111 0.000 1.532 195 M HN -0.163 nan 8.290 nan 0.000 0.497 196 S N 1.027 116.568 115.700 -0.265 0.000 2.279 196 S HA 0.430 4.923 4.470 0.038 0.000 0.176 196 S C -0.973 173.667 174.600 0.068 0.000 1.554 196 S CA -0.514 57.549 58.200 -0.229 0.000 1.242 196 S CB 0.460 63.566 63.200 -0.156 0.000 1.163 196 S HN 0.006 nan 8.310 nan 0.000 0.449 197 V N 3.740 123.865 119.914 0.351 0.000 2.448 197 V HA 0.594 4.737 4.120 0.038 0.000 0.295 197 V C -0.064 176.211 176.094 0.302 0.000 1.025 197 V CA -0.468 62.015 62.300 0.306 0.000 0.859 197 V CB 2.015 34.025 31.823 0.310 0.000 0.988 197 V HN 0.721 nan 8.190 nan 0.000 0.431 198 T N 6.261 120.939 114.554 0.207 0.000 2.786 198 T HA 0.577 4.950 4.350 0.038 0.000 0.283 198 T C -0.332 174.504 174.700 0.226 0.000 0.992 198 T CA -0.384 61.839 62.100 0.206 0.000 0.954 198 T CB 0.914 69.852 68.868 0.115 0.000 0.934 198 T HN 0.342 nan 8.240 nan 0.000 0.440 199 L N 4.817 126.150 121.223 0.182 0.000 2.326 199 L HA 0.654 5.017 4.340 0.038 0.000 0.278 199 L C -0.431 176.641 176.870 0.337 0.000 1.092 199 L CA -0.794 54.124 54.840 0.130 0.000 0.810 199 L CB 0.285 42.205 42.059 -0.231 0.000 1.153 199 L HN 0.626 nan 8.230 nan 0.000 0.439 200 F N 0.707 120.717 119.950 0.100 0.000 2.588 200 F HA 0.963 5.513 4.527 0.038 0.000 0.310 200 F C -0.239 175.541 175.800 -0.032 0.000 1.082 200 F CA -1.505 56.597 58.000 0.171 0.000 0.929 200 F CB 1.514 40.754 39.000 0.399 0.000 1.254 200 F HN 0.456 nan 8.300 nan 0.000 0.455 201 G N 1.109 109.774 108.800 -0.225 0.000 2.608 201 G HA2 0.512 4.495 3.960 0.038 0.000 0.291 201 G HA3 0.512 4.495 3.960 0.038 0.000 0.291 201 G C -2.437 172.239 174.900 -0.372 0.000 1.425 201 G CA -0.795 43.765 45.100 -0.900 0.000 0.787 201 G HN 0.856 nan 8.290 nan 0.000 0.484 202 E N 0.005 119.952 120.200 -0.420 0.000 2.288 202 E HA 0.612 4.984 4.350 0.038 0.000 0.268 202 E C 0.565 177.114 176.600 -0.085 0.000 0.885 202 E CA 0.261 56.633 56.400 -0.047 0.000 0.767 202 E CB 2.233 32.035 29.700 0.171 0.000 1.220 202 E HN 0.885 nan 8.360 nan 0.000 0.427 203 S N 2.587 118.308 115.700 0.036 0.000 4.059 203 S HA -0.388 4.105 4.470 0.038 0.000 0.624 203 S C 1.421 176.104 174.600 0.140 0.000 2.019 203 S CA 2.067 60.363 58.200 0.160 0.000 4.197 203 S CB -1.584 61.672 63.200 0.093 0.000 0.215 203 S HN 0.992 nan 8.310 nan 0.000 0.609 204 A N 1.015 123.787 122.820 -0.081 0.000 2.070 204 A HA 0.193 4.536 4.320 0.038 0.000 0.220 204 A C 2.390 179.716 177.584 -0.430 0.000 1.159 204 A CA 2.256 54.063 52.037 -0.384 0.000 0.656 204 A CB -1.479 16.822 19.000 -1.164 0.000 0.800 204 A HN 1.538 nan 8.150 nan 0.000 0.453 205 G N -0.587 108.022 108.800 -0.318 0.000 2.403 205 G HA2 0.074 4.057 3.960 0.038 0.000 0.216 205 G HA3 0.074 4.057 3.960 0.038 0.000 0.216 205 G C 1.700 176.440 174.900 -0.268 0.000 1.154 205 G CA 1.131 46.006 45.100 -0.376 0.000 0.784 205 G HN 0.714 nan 8.290 nan 0.000 0.538 206 A N 1.294 124.023 122.820 -0.152 0.000 1.902 206 A HA 0.287 4.630 4.320 0.038 0.000 0.217 206 A C 2.816 180.386 177.584 -0.025 0.000 1.181 206 A CA 2.167 54.173 52.037 -0.051 0.000 0.623 206 A CB -0.817 18.209 19.000 0.043 0.000 0.818 206 A HN 0.742 nan 8.150 nan 0.000 0.443 207 A N -0.401 122.426 122.820 0.010 0.000 1.908 207 A HA -0.108 4.235 4.320 0.038 0.000 0.218 207 A C 2.452 180.043 177.584 0.011 0.000 1.181 207 A CA 2.194 54.231 52.037 -0.000 0.000 0.627 207 A CB -0.937 18.078 19.000 0.026 0.000 0.818 207 A HN 0.460 nan 8.150 nan 0.000 0.445 208 S N -0.388 115.319 115.700 0.012 0.000 2.353 208 S HA -0.158 4.335 4.470 0.038 0.000 0.222 208 S C 1.912 176.495 174.600 -0.028 0.000 1.035 208 S CA 1.488 59.665 58.200 -0.037 0.000 1.025 208 S CB -0.647 62.478 63.200 -0.125 0.000 0.902 208 S HN 0.360 nan 8.310 nan 0.000 0.440 209 V N 1.722 121.621 119.914 -0.024 0.000 2.324 209 V HA -0.230 3.913 4.120 0.038 0.000 0.250 209 V C 2.578 178.678 176.094 0.011 0.000 1.060 209 V CA 2.072 64.363 62.300 -0.016 0.000 1.042 209 V CB -1.513 30.271 31.823 -0.065 0.000 0.650 209 V HN 0.617 nan 8.190 nan 0.000 0.450 210 G N -1.275 107.522 108.800 -0.005 0.000 2.422 210 G HA2 -0.222 3.761 3.960 0.038 0.000 0.218 210 G HA3 -0.222 3.761 3.960 0.038 0.000 0.218 210 G C 1.607 176.521 174.900 0.023 0.000 1.140 210 G CA 0.834 45.935 45.100 0.001 0.000 0.775 210 G HN 0.440 nan 8.290 nan 0.000 0.545 211 M N 0.036 119.631 119.600 -0.009 0.000 2.159 211 M HA -0.040 4.463 4.480 0.038 0.000 0.263 211 M C 2.332 178.670 176.300 0.064 0.000 1.063 211 M CA 1.021 56.335 55.300 0.024 0.000 1.110 211 M CB -0.305 32.277 32.600 -0.030 0.000 1.374 211 M HN 0.222 nan 8.290 nan 0.000 0.411 212 H N -0.230 118.938 119.070 0.163 0.000 2.389 212 H HA -0.018 4.561 4.556 0.038 0.000 0.299 212 H C 2.136 177.645 175.328 0.301 0.000 1.081 212 H CA 1.444 57.590 56.048 0.164 0.000 1.345 212 H CB -0.355 29.379 29.762 -0.045 0.000 1.393 212 H HN 0.417 nan 8.280 nan 0.000 0.520 213 I N 0.748 121.561 120.570 0.406 0.000 2.286 213 I HA -0.243 3.950 4.170 0.038 0.000 0.248 213 I C 1.883 178.164 176.117 0.273 0.000 1.115 213 I CA 1.095 62.632 61.300 0.395 0.000 1.392 213 I CB -0.088 38.044 38.000 0.219 0.000 1.065 213 I HN 0.106 nan 8.210 nan 0.000 0.418 214 L N -0.932 120.405 121.223 0.190 0.000 2.592 214 L HA 0.113 4.475 4.340 0.038 0.000 0.227 214 L C 0.846 177.751 176.870 0.058 0.000 1.127 214 L CA 0.027 54.960 54.840 0.155 0.000 0.884 214 L CB 0.002 42.132 42.059 0.119 0.000 1.065 214 L HN 0.024 nan 8.230 nan 0.000 0.457 215 S N -0.220 115.481 115.700 0.001 0.000 2.530 215 S HA 0.391 4.884 4.470 0.038 0.000 0.322 215 S C 1.045 175.578 174.600 -0.111 0.000 1.085 215 S CA -0.656 57.436 58.200 -0.181 0.000 1.096 215 S CB 1.024 63.852 63.200 -0.619 0.000 0.988 215 S HN 0.160 nan 8.310 nan 0.000 0.466 216 L N 5.111 126.276 121.223 -0.097 0.000 2.012 216 L HA -0.041 4.322 4.340 0.038 0.000 0.210 216 L C -0.733 176.102 176.870 -0.059 0.000 1.073 216 L CA 1.398 56.201 54.840 -0.062 0.000 0.748 216 L CB -1.700 40.322 42.059 -0.062 0.000 0.891 216 L HN 0.487 nan 8.230 nan 0.000 0.431 217 P HA -0.110 nan 4.420 nan 0.000 0.219 217 P C 1.616 178.918 177.300 0.004 0.000 1.146 217 P CA 1.176 64.247 63.100 -0.048 0.000 0.808 217 P CB 0.081 31.740 31.700 -0.069 0.000 0.779 218 S N -1.048 114.676 115.700 0.040 0.000 2.461 218 S HA 0.010 4.503 4.470 0.038 0.000 0.228 218 S C 1.792 176.529 174.600 0.227 0.000 1.005 218 S CA 0.497 58.818 58.200 0.202 0.000 0.942 218 S CB -0.353 63.092 63.200 0.407 0.000 0.776 218 S HN 0.094 nan 8.310 nan 0.000 0.514 219 R N 1.860 122.389 120.500 0.049 0.000 2.189 219 R HA 0.047 4.410 4.340 0.038 0.000 0.218 219 R C 2.196 178.317 176.300 -0.297 0.000 1.074 219 R CA 1.100 57.075 56.100 -0.210 0.000 0.991 219 R CB -0.937 29.268 30.300 -0.159 0.000 0.883 219 R HN 0.556 nan 8.270 nan 0.000 0.457 220 S N -0.202 115.413 115.700 -0.140 0.000 2.603 220 S HA 0.084 4.577 4.470 0.038 0.000 0.220 220 S C 1.586 176.111 174.600 -0.126 0.000 0.967 220 S CA 0.205 58.322 58.200 -0.138 0.000 0.920 220 S CB -0.132 63.028 63.200 -0.066 0.000 0.773 220 S HN 0.216 nan 8.310 nan 0.000 0.529 221 L N 0.312 121.497 121.223 -0.062 0.000 2.766 221 L HA 0.505 4.868 4.340 0.038 0.000 0.242 221 L C -0.090 176.852 176.870 0.121 0.000 1.136 221 L CA -0.396 54.473 54.840 0.049 0.000 0.933 221 L CB 0.068 42.200 42.059 0.122 0.000 1.241 221 L HN 0.505 nan 8.230 nan 0.000 0.522 222 F N -4.087 115.693 119.950 -0.282 0.000 2.741 222 F HA 0.452 5.002 4.527 0.038 0.000 0.313 222 F C 0.177 175.675 175.800 -0.504 0.000 1.153 222 F CA -1.109 56.709 58.000 -0.302 0.000 0.931 222 F CB 0.835 39.786 39.000 -0.082 0.000 1.335 222 F HN -0.128 nan 8.300 nan 0.000 0.460 223 H N -0.952 118.140 119.070 0.036 0.000 2.927 223 H HA 0.526 5.104 4.556 0.038 0.000 0.255 223 H C -0.177 175.149 175.328 -0.003 0.000 0.974 223 H CA -0.061 55.939 56.048 -0.080 0.000 1.199 223 H CB 0.573 30.305 29.762 -0.051 0.000 1.447 223 H HN 0.406 nan 8.280 nan 0.000 0.467 224 R N -0.035 120.633 120.500 0.280 0.000 2.799 224 R HA 0.813 5.176 4.340 0.038 0.000 0.270 224 R C -1.464 175.098 176.300 0.438 0.000 1.010 224 R CA -0.928 55.319 56.100 0.244 0.000 0.916 224 R CB 2.514 32.755 30.300 -0.097 0.000 1.228 224 R HN 0.155 nan 8.270 nan 0.000 0.469 225 A N 0.899 123.990 122.820 0.452 0.000 2.486 225 A HA 0.690 5.033 4.320 0.038 0.000 0.300 225 A C -1.440 176.308 177.584 0.273 0.000 1.048 225 A CA -0.621 51.616 52.037 0.333 0.000 0.696 225 A CB 1.910 21.071 19.000 0.267 0.000 1.278 225 A HN 0.299 nan 8.150 nan 0.000 0.405 226 V N 2.150 122.177 119.914 0.188 0.000 2.531 226 V HA 0.502 4.645 4.120 0.038 0.000 0.301 226 V C -1.222 174.959 176.094 0.145 0.000 1.034 226 V CA -0.325 62.022 62.300 0.078 0.000 0.865 226 V CB 1.306 33.196 31.823 0.112 0.000 0.995 226 V HN 0.683 nan 8.190 nan 0.000 0.424 227 L N 5.084 126.365 121.223 0.097 0.000 2.318 227 L HA 0.517 4.880 4.340 0.038 0.000 0.277 227 L C 0.035 176.999 176.870 0.157 0.000 1.008 227 L CA -0.001 54.896 54.840 0.094 0.000 0.846 227 L CB 1.475 43.549 42.059 0.025 0.000 1.220 227 L HN 0.623 nan 8.230 nan 0.000 0.423 228 Q N 1.935 121.878 119.800 0.239 0.000 2.360 228 Q HA 0.432 4.795 4.340 0.038 0.000 0.254 228 Q C 0.194 176.317 176.000 0.204 0.000 0.975 228 Q CA -0.454 55.541 55.803 0.319 0.000 0.912 228 Q CB 1.090 30.093 28.738 0.443 0.000 1.212 228 Q HN 0.625 nan 8.270 nan 0.000 0.452 229 S N 1.111 116.920 115.700 0.182 0.000 3.706 229 S HA -0.153 4.340 4.470 0.038 0.000 0.363 229 S C 0.012 174.808 174.600 0.326 0.000 0.999 229 S CA 0.499 58.841 58.200 0.237 0.000 1.143 229 S CB -1.221 62.110 63.200 0.219 0.000 0.902 229 S HN 1.004 nan 8.310 nan 0.000 0.476 230 G N -0.376 108.569 108.800 0.243 0.000 2.556 230 G HA2 0.630 4.613 3.960 0.038 0.000 0.294 230 G HA3 0.630 4.613 3.960 0.038 0.000 0.294 230 G C -0.945 174.023 174.900 0.114 0.000 1.516 230 G CA 0.196 45.482 45.100 0.311 0.000 0.824 230 G HN 1.022 nan 8.290 nan 0.000 0.535 231 T N -1.001 113.560 114.554 0.011 0.000 2.932 231 T HA 0.727 5.100 4.350 0.038 0.000 0.318 231 T C -2.337 172.223 174.700 -0.233 0.000 1.265 231 T CA -1.274 60.761 62.100 -0.109 0.000 1.036 231 T CB 3.035 71.828 68.868 -0.125 0.000 1.209 231 T HN 0.286 nan 8.240 nan 0.000 0.484 232 P HA -0.036 nan 4.420 nan 0.000 0.217 232 P C 0.319 177.472 177.300 -0.245 0.000 1.151 232 P CA 0.728 63.712 63.100 -0.193 0.000 0.828 232 P CB -0.139 31.499 31.700 -0.103 0.000 0.788 233 N N 0.862 119.438 118.700 -0.206 0.000 2.399 233 N HA 0.268 5.031 4.740 0.038 0.000 0.250 233 N C 0.803 176.129 175.510 -0.308 0.000 1.272 233 N CA 0.798 53.726 53.050 -0.204 0.000 0.928 233 N CB 0.179 38.587 38.487 -0.132 0.000 1.158 233 N HN 0.250 nan 8.380 nan 0.000 0.463 234 G N -0.281 108.349 108.800 -0.282 0.000 2.525 234 G HA2 -0.118 3.865 3.960 0.038 0.000 0.685 234 G HA3 -0.118 3.865 3.960 0.038 0.000 0.685 234 G C -2.185 172.479 174.900 -0.394 0.000 1.290 234 G CA -0.251 44.639 45.100 -0.350 0.000 0.915 234 G HN 0.511 nan 8.290 nan 0.000 0.548 235 P HA 0.080 nan 4.420 nan 0.000 0.229 235 P C 1.417 178.640 177.300 -0.129 0.000 1.160 235 P CA 2.179 65.129 63.100 -0.250 0.000 0.777 235 P CB -0.041 31.433 31.700 -0.376 0.000 0.814 236 W N -1.800 119.401 121.300 -0.164 0.000 2.865 236 W HA 0.590 5.272 4.660 0.038 0.000 0.300 236 W C 1.040 177.628 176.519 0.115 0.000 1.096 236 W CA 0.429 57.756 57.345 -0.030 0.000 1.524 236 W CB -0.670 28.802 29.460 0.020 0.000 0.991 236 W HN -0.168 nan 8.180 nan 0.000 0.571 237 A N 1.894 124.389 122.820 -0.542 0.000 2.132 237 A HA 0.175 4.518 4.320 0.038 0.000 0.213 237 A C 1.088 178.514 177.584 -0.264 0.000 1.154 237 A CA 1.711 53.474 52.037 -0.457 0.000 0.753 237 A CB -0.686 17.785 19.000 -0.882 0.000 0.826 237 A HN 0.213 nan 8.150 nan 0.000 0.469 238 T N -3.027 111.389 114.554 -0.230 0.000 2.883 238 T HA 0.617 4.990 4.350 0.038 0.000 0.296 238 T C -0.661 173.963 174.700 -0.127 0.000 1.117 238 T CA -0.105 61.878 62.100 -0.196 0.000 1.006 238 T CB 1.424 70.185 68.868 -0.179 0.000 1.191 238 T HN 0.909 nan 8.240 nan 0.000 0.508 239 V N -0.992 118.855 119.914 -0.111 0.000 3.040 239 V HA 0.910 5.052 4.120 0.038 0.000 0.312 239 V C 0.347 176.402 176.094 -0.065 0.000 1.115 239 V CA -0.765 61.487 62.300 -0.080 0.000 0.998 239 V CB 1.333 33.109 31.823 -0.078 0.000 1.042 239 V HN 1.395 nan 8.190 nan 0.000 0.433 240 S N 1.967 117.636 115.700 -0.053 0.000 2.596 240 S HA 0.559 5.052 4.470 0.038 0.000 0.260 240 S C 1.406 175.987 174.600 -0.032 0.000 1.336 240 S CA 0.140 58.317 58.200 -0.039 0.000 0.993 240 S CB 1.090 64.269 63.200 -0.035 0.000 0.923 240 S HN 1.945 nan 8.310 nan 0.000 0.567 241 A N 1.748 124.554 122.820 -0.023 0.000 1.877 241 A HA 0.133 4.475 4.320 0.038 0.000 0.216 241 A C 2.283 179.857 177.584 -0.017 0.000 1.186 241 A CA 1.708 53.736 52.037 -0.016 0.000 0.620 241 A CB -1.934 17.060 19.000 -0.010 0.000 0.822 241 A HN 1.197 nan 8.150 nan 0.000 0.443 242 G N -0.374 108.414 108.800 -0.019 0.000 2.469 242 G HA2 -0.309 3.674 3.960 0.038 0.000 0.219 242 G HA3 -0.309 3.674 3.960 0.038 0.000 0.219 242 G C 1.488 176.374 174.900 -0.024 0.000 1.150 242 G CA 1.570 46.658 45.100 -0.020 0.000 0.763 242 G HN 0.609 nan 8.290 nan 0.000 0.561 243 E N 0.759 120.940 120.200 -0.032 0.000 2.112 243 E HA 0.196 4.569 4.350 0.038 0.000 0.190 243 E C 2.630 179.199 176.600 -0.051 0.000 0.979 243 E CA 1.243 57.617 56.400 -0.043 0.000 0.814 243 E CB -0.502 29.167 29.700 -0.051 0.000 0.762 243 E HN 0.270 nan 8.360 nan 0.000 0.460 244 A N 1.161 123.959 122.820 -0.038 0.000 1.883 244 A HA -0.214 4.129 4.320 0.038 0.000 0.217 244 A C 2.312 179.900 177.584 0.006 0.000 1.186 244 A CA 1.867 53.895 52.037 -0.016 0.000 0.624 244 A CB -0.674 18.329 19.000 0.005 0.000 0.822 244 A HN 0.292 nan 8.150 nan 0.000 0.444 245 R N -0.632 119.864 120.500 -0.006 0.000 2.081 245 R HA -0.138 4.225 4.340 0.038 0.000 0.235 245 R C 2.458 178.754 176.300 -0.006 0.000 1.131 245 R CA 1.596 57.692 56.100 -0.007 0.000 0.960 245 R CB -0.303 29.989 30.300 -0.013 0.000 0.856 245 R HN 0.528 nan 8.270 nan 0.000 0.436 246 R N 0.478 120.970 120.500 -0.013 0.000 2.073 246 R HA -0.108 4.254 4.340 0.038 0.000 0.234 246 R C 2.179 178.474 176.300 -0.008 0.000 1.134 246 R CA 1.643 57.734 56.100 -0.014 0.000 0.952 246 R CB -0.095 30.192 30.300 -0.023 0.000 0.850 246 R HN 0.261 nan 8.270 nan 0.000 0.433 247 R N -0.241 120.244 120.500 -0.026 0.000 2.092 247 R HA -0.046 4.317 4.340 0.038 0.000 0.231 247 R C 2.314 178.691 176.300 0.128 0.000 1.119 247 R CA 1.308 57.386 56.100 -0.038 0.000 0.970 247 R CB -0.264 29.884 30.300 -0.254 0.000 0.864 247 R HN 0.241 nan 8.270 nan 0.000 0.440 248 A N 0.379 123.297 122.820 0.163 0.000 1.898 248 A HA -0.115 4.228 4.320 0.038 0.000 0.216 248 A C 2.121 179.720 177.584 0.026 0.000 1.181 248 A CA 1.709 53.825 52.037 0.132 0.000 0.620 248 A CB -0.647 18.366 19.000 0.021 0.000 0.819 248 A HN 0.241 nan 8.150 nan 0.000 0.442 249 T N 0.161 114.721 114.554 0.012 0.000 2.777 249 T HA -0.118 4.255 4.350 0.038 0.000 0.266 249 T C 1.834 176.537 174.700 0.005 0.000 1.040 249 T CA 1.467 63.564 62.100 -0.005 0.000 1.141 249 T CB -0.344 68.519 68.868 -0.008 0.000 0.868 249 T HN 0.295 nan 8.240 nan 0.000 0.444 250 L N 1.222 122.458 121.223 0.022 0.000 2.017 250 L HA 0.060 4.423 4.340 0.038 0.000 0.208 250 L C 2.195 179.086 176.870 0.036 0.000 1.073 250 L CA 1.476 56.333 54.840 0.027 0.000 0.745 250 L CB -1.023 41.057 42.059 0.035 0.000 0.894 250 L HN 0.180 nan 8.230 nan 0.000 0.432 251 L N -0.013 121.256 121.223 0.076 0.000 2.012 251 L HA -0.147 4.216 4.340 0.038 0.000 0.210 251 L C 2.516 179.383 176.870 -0.006 0.000 1.073 251 L CA 2.194 57.078 54.840 0.073 0.000 0.748 251 L CB -1.121 41.020 42.059 0.138 0.000 0.891 251 L HN 0.303 nan 8.230 nan 0.000 0.431 252 A N -0.402 122.406 122.820 -0.020 0.000 1.883 252 A HA -0.283 4.060 4.320 0.038 0.000 0.217 252 A C 2.564 180.126 177.584 -0.037 0.000 1.186 252 A CA 2.000 54.015 52.037 -0.037 0.000 0.624 252 A CB -0.770 18.205 19.000 -0.042 0.000 0.822 252 A HN 0.523 nan 8.150 nan 0.000 0.444 253 R N -0.384 120.098 120.500 -0.030 0.000 2.091 253 R HA -0.104 4.258 4.340 0.038 0.000 0.238 253 R C 2.014 178.277 176.300 -0.062 0.000 1.136 253 R CA 1.670 57.751 56.100 -0.032 0.000 0.959 253 R CB -0.433 29.856 30.300 -0.018 0.000 0.856 253 R HN 0.566 nan 8.270 nan 0.000 0.437 254 L N 0.680 121.846 121.223 -0.094 0.000 2.131 254 L HA -0.117 4.246 4.340 0.038 0.000 0.210 254 L C 2.180 178.844 176.870 -0.343 0.000 1.092 254 L CA 0.927 55.633 54.840 -0.225 0.000 0.759 254 L CB -0.159 41.744 42.059 -0.260 0.000 0.903 254 L HN 0.193 nan 8.230 nan 0.000 0.435 255 V N -3.776 116.019 119.914 -0.199 0.000 3.649 255 V HA 0.444 4.587 4.120 0.038 0.000 0.275 255 V C 1.142 177.212 176.094 -0.041 0.000 1.281 255 V CA 0.382 62.621 62.300 -0.103 0.000 1.143 255 V CB -0.228 31.583 31.823 -0.019 0.000 0.892 255 V HN 0.471 nan 8.190 nan 0.000 0.441 256 G N -0.717 108.055 108.800 -0.046 0.000 2.141 256 G HA2 -0.192 3.791 3.960 0.038 0.000 0.195 256 G HA3 -0.192 3.791 3.960 0.038 0.000 0.195 256 G C -0.074 174.820 174.900 -0.011 0.000 1.012 256 G CA -0.136 44.952 45.100 -0.020 0.000 0.696 256 G HN 0.667 nan 8.290 nan 0.000 0.508 257 c N 0.945 119.536 118.600 -0.015 0.000 2.397 257 c HA 0.890 5.483 4.570 0.038 0.000 0.343 257 c C -1.190 172.894 174.090 -0.010 0.000 1.188 257 c CA -0.968 55.356 56.329 -0.009 0.000 1.992 257 c CB 1.576 44.081 42.510 -0.009 0.000 2.358 257 c HN 0.527 nan 8.230 nan 0.000 0.518 264 G N -1.096 107.699 108.800 -0.007 0.000 2.359 264 G HA2 0.450 4.433 3.960 0.038 0.000 0.293 264 G HA3 0.450 4.433 3.960 0.038 0.000 0.293 264 G C -0.589 174.306 174.900 -0.007 0.000 1.300 264 G CA 0.262 45.358 45.100 -0.006 0.000 0.888 264 G HN 1.588 nan 8.290 nan 0.000 0.541 265 N N -0.027 118.670 118.700 -0.005 0.000 1.314 265 N HA -0.167 4.596 4.740 0.038 0.000 0.426 265 N C 0.943 176.447 175.510 -0.009 0.000 1.126 265 N CA 1.265 54.312 53.050 -0.005 0.000 0.738 265 N CB 0.320 38.806 38.487 -0.002 0.000 0.924 265 N HN 0.570 nan 8.380 nan 0.000 0.577 266 D N 2.658 123.052 120.400 -0.011 0.000 2.106 266 D HA -0.127 4.536 4.640 0.038 0.000 0.191 266 D C 1.421 177.714 176.300 -0.012 0.000 0.997 266 D CA 1.989 55.978 54.000 -0.017 0.000 0.834 266 D CB -0.276 40.513 40.800 -0.017 0.000 0.956 266 D HN 0.652 nan 8.370 nan 0.000 0.448 267 T N 0.622 115.175 114.554 -0.002 0.000 2.665 267 T HA -0.211 4.162 4.350 0.038 0.000 0.268 267 T C 1.829 176.535 174.700 0.010 0.000 1.035 267 T CA 1.581 63.686 62.100 0.008 0.000 1.151 267 T CB -0.241 68.633 68.868 0.009 0.000 0.862 267 T HN 0.285 nan 8.240 nan 0.000 0.438 268 E N 0.261 120.464 120.200 0.005 0.000 2.072 268 E HA -0.077 4.296 4.350 0.038 0.000 0.191 268 E C 2.235 178.838 176.600 0.005 0.000 0.985 268 E CA 0.735 57.139 56.400 0.007 0.000 0.801 268 E CB -0.186 29.516 29.700 0.003 0.000 0.750 268 E HN 0.424 nan 8.360 nan 0.000 0.452 269 L N 0.644 121.864 121.223 -0.005 0.000 2.017 269 L HA -0.179 4.184 4.340 0.038 0.000 0.208 269 L C 2.221 179.084 176.870 -0.012 0.000 1.073 269 L CA 1.340 56.171 54.840 -0.015 0.000 0.745 269 L CB -0.147 41.894 42.059 -0.031 0.000 0.894 269 L HN 0.176 nan 8.230 nan 0.000 0.432 270 I N -0.085 120.478 120.570 -0.011 0.000 2.315 270 I HA -0.234 3.959 4.170 0.038 0.000 0.248 270 I C 2.753 178.926 176.117 0.093 0.000 1.117 270 I CA 0.971 62.282 61.300 0.018 0.000 1.404 270 I CB -0.596 37.414 38.000 0.016 0.000 1.071 270 I HN 0.345 nan 8.210 nan 0.000 0.419 271 A N -0.128 122.728 122.820 0.060 0.000 1.908 271 A HA -0.306 4.037 4.320 0.038 0.000 0.218 271 A C 2.534 180.151 177.584 0.054 0.000 1.181 271 A CA 2.039 54.110 52.037 0.056 0.000 0.627 271 A CB -1.377 17.644 19.000 0.034 0.000 0.818 271 A HN 0.625 nan 8.150 nan 0.000 0.445 272 c N -0.660 117.965 118.600 0.042 0.000 2.440 272 c HA 0.040 4.633 4.570 0.038 0.000 0.278 272 c C 2.576 176.699 174.090 0.055 0.000 1.295 272 c CA 1.011 57.361 56.329 0.036 0.000 1.738 272 c CB -1.565 40.957 42.510 0.020 0.000 1.987 272 c HN 0.581 nan 8.230 nan 0.000 0.492 273 L N 0.284 121.558 121.223 0.084 0.000 2.141 273 L HA -0.076 4.286 4.340 0.038 0.000 0.209 273 L C 2.949 179.930 176.870 0.185 0.000 1.094 273 L CA 1.350 56.276 54.840 0.143 0.000 0.763 273 L CB -0.608 41.551 42.059 0.167 0.000 0.908 273 L HN 0.341 nan 8.230 nan 0.000 0.437 274 R N -0.517 120.083 120.500 0.167 0.000 2.189 274 R HA -0.110 4.252 4.340 0.038 0.000 0.223 274 R C 2.193 178.502 176.300 0.016 0.000 1.092 274 R CA 1.641 57.773 56.100 0.054 0.000 0.989 274 R CB -0.403 29.921 30.300 0.040 0.000 0.876 274 R HN 0.496 nan 8.270 nan 0.000 0.457 275 T N -1.482 113.091 114.554 0.031 0.000 3.085 275 T HA 0.058 4.431 4.350 0.038 0.000 0.263 275 T C 0.966 175.675 174.700 0.015 0.000 1.127 275 T CA 0.147 62.257 62.100 0.017 0.000 1.103 275 T CB 0.126 69.006 68.868 0.019 0.000 0.921 275 T HN -0.124 nan 8.240 nan 0.000 0.510 276 R N 2.681 123.196 120.500 0.026 0.000 2.340 276 R HA 0.395 4.758 4.340 0.038 0.000 0.300 276 R C -2.671 173.638 176.300 0.014 0.000 1.069 276 R CA -2.621 53.496 56.100 0.028 0.000 0.984 276 R CB 0.167 30.494 30.300 0.045 0.000 1.003 276 R HN 0.253 nan 8.270 nan 0.000 0.459 277 P HA -0.080 nan 4.420 nan 0.000 0.264 277 P C 0.311 177.591 177.300 -0.035 0.000 1.179 277 P CA 0.343 63.430 63.100 -0.023 0.000 0.763 277 P CB 0.565 32.264 31.700 -0.001 0.000 0.806 278 A N 2.795 125.522 122.820 -0.154 0.000 1.940 278 A HA -0.257 4.085 4.320 0.038 0.000 0.219 278 A C 2.122 179.643 177.584 -0.104 0.000 1.176 278 A CA 1.772 53.683 52.037 -0.211 0.000 0.631 278 A CB -1.091 17.348 19.000 -0.934 0.000 0.814 278 A HN 0.525 nan 8.150 nan 0.000 0.446 279 Q N 0.179 119.921 119.800 -0.097 0.000 2.224 279 Q HA -0.143 4.220 4.340 0.038 0.000 0.203 279 Q C 1.127 177.222 176.000 0.159 0.000 0.970 279 Q CA 1.852 57.760 55.803 0.174 0.000 0.865 279 Q CB -0.389 28.475 28.738 0.209 0.000 0.922 279 Q HN 0.640 nan 8.270 nan 0.000 0.445 280 D N -0.832 119.635 120.400 0.112 0.000 2.144 280 D HA -0.133 4.530 4.640 0.038 0.000 0.199 280 D C 1.414 177.816 176.300 0.171 0.000 0.984 280 D CA 0.733 54.819 54.000 0.143 0.000 0.834 280 D CB -0.020 40.851 40.800 0.120 0.000 0.955 280 D HN 0.214 nan 8.370 nan 0.000 0.465 281 L N 0.077 121.368 121.223 0.114 0.000 2.044 281 L HA -0.089 4.274 4.340 0.038 0.000 0.205 281 L C 2.449 179.361 176.870 0.070 0.000 1.075 281 L CA 0.892 55.759 54.840 0.044 0.000 0.747 281 L CB -0.759 41.228 42.059 -0.120 0.000 0.903 281 L HN -0.044 nan 8.230 nan 0.000 0.435 282 V N -0.304 119.715 119.914 0.175 0.000 2.407 282 V HA -0.289 3.853 4.120 0.038 0.000 0.248 282 V C 2.110 178.302 176.094 0.164 0.000 1.055 282 V CA 1.673 64.116 62.300 0.239 0.000 1.049 282 V CB -0.625 31.465 31.823 0.446 0.000 0.662 282 V HN 0.412 nan 8.190 nan 0.000 0.455 283 D N -0.943 119.523 120.400 0.110 0.000 2.182 283 D HA -0.137 4.525 4.640 0.038 0.000 0.201 283 D C 1.801 177.903 176.300 -0.330 0.000 0.986 283 D CA 1.282 55.250 54.000 -0.054 0.000 0.847 283 D CB -0.194 40.533 40.800 -0.121 0.000 0.942 283 D HN 0.545 nan 8.370 nan 0.000 0.467 284 H N -0.474 118.559 119.070 -0.063 0.000 2.594 284 H HA 0.142 4.721 4.556 0.038 0.000 0.279 284 H C 1.480 176.695 175.328 -0.188 0.000 1.042 284 H CA -0.091 55.831 56.048 -0.210 0.000 1.177 284 H CB 0.720 30.495 29.762 0.021 0.000 1.524 284 H HN 0.294 nan 8.280 nan 0.000 0.537 285 E N 0.721 120.878 120.200 -0.072 0.000 2.085 285 E HA -0.194 4.179 4.350 0.038 0.000 0.194 285 E C 0.967 177.433 176.600 -0.225 0.000 0.994 285 E CA 1.204 57.543 56.400 -0.101 0.000 0.801 285 E CB 0.072 29.602 29.700 -0.282 0.000 0.743 285 E HN 0.453 nan 8.360 nan 0.000 0.453 286 W N -0.603 120.615 121.300 -0.137 0.000 2.770 286 W HA 0.033 4.717 4.660 0.039 0.000 0.256 286 W C 1.619 178.164 176.519 0.044 0.000 1.291 286 W CA 0.418 57.700 57.345 -0.105 0.000 1.396 286 W CB 0.054 29.413 29.460 -0.169 0.000 1.114 286 W HN 0.235 nan 8.180 nan 0.000 0.637 287 H N -0.470 118.737 119.070 0.228 0.000 2.556 287 H HA -0.013 4.566 4.556 0.038 0.000 0.268 287 H C 1.869 177.260 175.328 0.103 0.000 0.996 287 H CA 0.769 56.919 56.048 0.170 0.000 1.157 287 H CB 0.135 30.020 29.762 0.204 0.000 1.355 287 H HN 0.132 nan 8.280 nan 0.000 0.597 288 V N -1.771 118.238 119.914 0.158 0.000 3.621 288 V HA 0.168 4.311 4.120 0.038 0.000 0.285 288 V C 0.568 176.652 176.094 -0.015 0.000 1.346 288 V CA -0.132 62.199 62.300 0.051 0.000 1.104 288 V CB -0.321 31.497 31.823 -0.008 0.000 0.913 288 V HN 0.119 nan 8.190 nan 0.000 0.432 289 L N 2.568 123.799 121.223 0.013 0.000 2.453 289 L HA 0.254 4.617 4.340 0.038 0.000 0.272 289 L C -0.370 176.506 176.870 0.010 0.000 1.182 289 L CA -1.028 53.810 54.840 -0.004 0.000 0.858 289 L CB 0.808 42.892 42.059 0.041 0.000 1.120 289 L HN 0.142 nan 8.230 nan 0.000 0.474 290 P HA -0.083 nan 4.420 nan 0.000 0.223 290 P C -0.005 177.297 177.300 0.004 0.000 1.151 290 P CA 0.961 64.058 63.100 -0.004 0.000 0.787 290 P CB 0.472 32.163 31.700 -0.015 0.000 0.788 291 Q N -1.086 118.718 119.800 0.006 0.000 2.456 291 Q HA 0.299 4.662 4.340 0.038 0.000 0.283 291 Q C -0.754 175.253 176.000 0.013 0.000 1.084 291 Q CA -0.694 55.113 55.803 0.007 0.000 0.801 291 Q CB 2.055 30.793 28.738 0.000 0.000 1.434 291 Q HN -0.075 nan 8.270 nan 0.000 0.419 292 E N 1.048 121.253 120.200 0.010 0.000 2.328 292 E HA 0.269 4.642 4.350 0.038 0.000 0.265 292 E C -1.071 175.529 176.600 0.000 0.000 1.057 292 E CA 0.128 56.532 56.400 0.008 0.000 0.916 292 E CB 0.241 29.945 29.700 0.006 0.000 0.993 292 E HN 0.575 nan 8.360 nan 0.000 0.446 293 S N 3.806 119.503 115.700 -0.006 0.000 2.638 293 S HA 0.697 5.190 4.470 0.038 0.000 0.274 293 S C -0.406 174.176 174.600 -0.030 0.000 1.157 293 S CA -1.046 57.143 58.200 -0.018 0.000 0.826 293 S CB 0.974 64.159 63.200 -0.026 0.000 1.139 293 S HN 0.531 nan 8.310 nan 0.000 0.474 294 I N -3.197 117.355 120.570 -0.031 0.000 3.042 294 I HA 0.785 4.978 4.170 0.038 0.000 0.310 294 I C -0.316 175.753 176.117 -0.081 0.000 1.117 294 I CA -1.227 60.056 61.300 -0.029 0.000 1.003 294 I CB 1.268 39.304 38.000 0.059 0.000 1.228 294 I HN 0.741 nan 8.210 nan 0.000 0.443 295 F N 1.667 121.379 119.950 -0.396 0.000 3.090 295 F HA -0.185 4.364 4.527 0.037 0.000 0.282 295 F C -0.357 174.843 175.800 -1.001 0.000 0.923 295 F CA 0.644 58.151 58.000 -0.822 0.000 0.977 295 F CB -0.629 37.814 39.000 -0.929 0.000 0.954 295 F HN 0.590 nan 8.300 nan 0.000 0.695 296 R N 0.463 120.486 120.500 -0.796 0.000 2.686 296 R HA 0.656 5.019 4.340 0.038 0.000 0.283 296 R C -1.086 174.797 176.300 -0.694 0.000 0.978 296 R CA -0.565 55.132 56.100 -0.671 0.000 0.897 296 R CB 1.454 31.625 30.300 -0.215 0.000 1.192 296 R HN 0.008 nan 8.270 nan 0.000 0.457 297 F N -0.703 119.363 119.950 0.194 0.000 2.556 297 F HA 0.343 4.892 4.527 0.038 0.000 0.314 297 F C 1.384 177.151 175.800 -0.054 0.000 1.106 297 F CA -0.804 57.265 58.000 0.116 0.000 0.911 297 F CB 1.985 41.150 39.000 0.276 0.000 1.190 297 F HN 0.344 nan 8.300 nan 0.000 0.448 298 S N 0.982 116.612 115.700 -0.116 0.000 2.355 298 S HA 0.018 4.511 4.470 0.038 0.000 0.222 298 S C 0.011 174.201 174.600 -0.684 0.000 1.031 298 S CA 1.122 59.054 58.200 -0.447 0.000 0.993 298 S CB -0.175 62.665 63.200 -0.601 0.000 0.859 298 S HN 0.361 nan 8.310 nan 0.000 0.453 299 F N 1.529 121.496 119.950 0.029 0.000 2.382 299 F HA 0.564 5.114 4.527 0.038 0.000 0.361 299 F C -0.059 175.774 175.800 0.055 0.000 1.109 299 F CA -0.958 57.084 58.000 0.071 0.000 1.031 299 F CB 1.368 40.427 39.000 0.099 0.000 1.234 299 F HN -0.109 nan 8.300 nan 0.000 0.445 300 V N 0.898 120.803 119.914 -0.015 0.000 3.181 300 V HA 0.762 4.904 4.120 0.038 0.000 0.308 300 V C -2.947 172.819 176.094 -0.548 0.000 1.214 300 V CA -3.289 58.697 62.300 -0.523 0.000 1.053 300 V CB 2.107 33.802 31.823 -0.213 0.000 1.069 300 V HN 0.265 nan 8.190 nan 0.000 0.441 301 P HA 0.178 nan 4.420 nan 0.000 0.265 301 P C -0.755 176.403 177.300 -0.236 0.000 1.187 301 P CA 0.454 63.274 63.100 -0.467 0.000 0.766 301 P CB 0.629 31.951 31.700 -0.630 0.000 0.820 302 V N 4.795 124.645 119.914 -0.107 0.000 2.555 302 V HA 0.245 4.388 4.120 0.038 0.000 0.302 302 V C -0.370 175.701 176.094 -0.038 0.000 1.038 302 V CA -0.930 61.333 62.300 -0.061 0.000 0.887 302 V CB 2.206 34.021 31.823 -0.014 0.000 0.991 302 V HN 0.137 nan 8.190 nan 0.000 0.434 303 V N 7.393 127.286 119.914 -0.036 0.000 2.359 303 V HA 0.151 4.294 4.120 0.038 0.000 0.248 303 V C 0.858 176.954 176.094 0.004 0.000 1.091 303 V CA 0.437 62.729 62.300 -0.013 0.000 1.103 303 V CB -0.006 31.803 31.823 -0.023 0.000 1.176 303 V HN 1.062 nan 8.190 nan 0.000 0.488 304 D N 2.596 123.012 120.400 0.026 0.000 2.354 304 D HA 0.112 4.775 4.640 0.038 0.000 0.209 304 D C 1.556 177.875 176.300 0.032 0.000 1.015 304 D CA 0.719 54.738 54.000 0.031 0.000 0.867 304 D CB 0.276 41.106 40.800 0.050 0.000 0.933 304 D HN 0.673 nan 8.370 nan 0.000 0.520 305 G N 0.635 109.454 108.800 0.033 0.000 2.143 305 G HA2 -0.308 3.674 3.960 0.038 0.000 0.248 305 G HA3 -0.308 3.674 3.960 0.038 0.000 0.248 305 G C 0.320 175.239 174.900 0.031 0.000 0.991 305 G CA 0.730 45.844 45.100 0.024 0.000 0.689 305 G HN 0.553 nan 8.290 nan 0.000 0.522 306 D N -1.778 118.655 120.400 0.056 0.000 3.000 306 D HA 0.225 4.888 4.640 0.038 0.000 0.190 306 D C 1.675 178.020 176.300 0.075 0.000 1.503 306 D CA 0.451 54.487 54.000 0.060 0.000 1.496 306 D CB -0.656 40.190 40.800 0.076 0.000 1.163 306 D HN 0.076 nan 8.370 nan 0.000 0.231 307 F N 1.292 121.244 119.950 0.002 0.000 2.069 307 F HA 0.151 4.701 4.527 0.038 0.000 0.298 307 F C 0.582 176.376 175.800 -0.010 0.000 1.113 307 F CA 1.289 59.288 58.000 -0.001 0.000 1.214 307 F CB 0.114 39.108 39.000 -0.009 0.000 0.978 307 F HN -0.009 nan 8.300 nan 0.000 0.474 308 L N 0.854 122.223 121.223 0.244 0.000 2.277 308 L HA 0.193 4.556 4.340 0.038 0.000 0.284 308 L C 1.356 178.261 176.870 0.057 0.000 1.028 308 L CA -0.180 54.736 54.840 0.126 0.000 0.835 308 L CB 1.332 43.460 42.059 0.115 0.000 1.215 308 L HN 0.099 nan 8.230 nan 0.000 0.425 309 S N 0.432 116.145 115.700 0.022 0.000 2.453 309 S HA -0.004 4.489 4.470 0.038 0.000 0.231 309 S C 0.491 175.095 174.600 0.006 0.000 1.005 309 S CA 0.428 58.633 58.200 0.008 0.000 0.949 309 S CB 0.208 63.403 63.200 -0.009 0.000 0.774 309 S HN 0.694 nan 8.310 nan 0.000 0.510 310 D N 0.347 120.752 120.400 0.008 0.000 2.752 310 D HA 0.309 4.972 4.640 0.038 0.000 0.313 310 D C -0.787 175.513 176.300 0.001 0.000 1.225 310 D CA -0.018 53.983 54.000 0.002 0.000 0.976 310 D CB 1.627 42.426 40.800 -0.002 0.000 1.443 310 D HN 0.254 nan 8.370 nan 0.000 0.515 311 T N -0.942 113.607 114.554 -0.009 0.000 2.932 311 T HA 0.191 4.564 4.350 0.038 0.000 0.312 311 T C -1.804 172.887 174.700 -0.015 0.000 1.071 311 T CA -0.736 61.352 62.100 -0.021 0.000 1.128 311 T CB 0.922 69.772 68.868 -0.030 0.000 0.984 311 T HN 0.105 nan 8.240 nan 0.000 0.549 312 P HA -0.141 nan 4.420 nan 0.000 0.216 312 P C 1.498 178.791 177.300 -0.011 0.000 1.150 312 P CA 1.128 64.214 63.100 -0.023 0.000 0.843 312 P CB 0.072 31.730 31.700 -0.069 0.000 0.787 313 E N -0.241 119.944 120.200 -0.026 0.000 2.038 313 E HA -0.228 4.145 4.350 0.038 0.000 0.195 313 E C 1.941 178.545 176.600 0.008 0.000 1.000 313 E CA 1.455 57.846 56.400 -0.014 0.000 0.803 313 E CB -0.533 29.151 29.700 -0.026 0.000 0.750 313 E HN 0.074 nan 8.360 nan 0.000 0.448 314 A N 1.112 123.934 122.820 0.003 0.000 1.908 314 A HA -0.162 4.180 4.320 0.038 0.000 0.218 314 A C 2.263 179.861 177.584 0.024 0.000 1.181 314 A CA 1.363 53.405 52.037 0.008 0.000 0.627 314 A CB -0.659 18.340 19.000 -0.001 0.000 0.818 314 A HN 0.315 nan 8.150 nan 0.000 0.445 315 L N -0.149 121.097 121.223 0.038 0.000 2.109 315 L HA -0.110 4.252 4.340 0.038 0.000 0.207 315 L C 2.607 179.568 176.870 0.152 0.000 1.086 315 L CA 1.385 56.267 54.840 0.069 0.000 0.760 315 L CB -0.643 41.461 42.059 0.075 0.000 0.910 315 L HN 0.673 nan 8.230 nan 0.000 0.437 316 I N -2.299 118.362 120.570 0.153 0.000 2.315 316 I HA -0.165 4.027 4.170 0.038 0.000 0.248 316 I C 1.979 178.217 176.117 0.202 0.000 1.117 316 I CA 1.470 62.906 61.300 0.226 0.000 1.404 316 I CB -0.451 37.603 38.000 0.090 0.000 1.071 316 I HN 0.170 nan 8.210 nan 0.000 0.419 317 N N 1.237 119.999 118.700 0.103 0.000 2.309 317 N HA -0.107 4.656 4.740 0.038 0.000 0.182 317 N C 1.673 177.212 175.510 0.048 0.000 1.018 317 N CA 2.012 55.105 53.050 0.071 0.000 0.876 317 N CB -0.390 38.121 38.487 0.039 0.000 0.972 317 N HN 0.701 nan 8.380 nan 0.000 0.434 318 T N -3.636 110.932 114.554 0.023 0.000 3.132 318 T HA 0.388 4.761 4.350 0.038 0.000 0.274 318 T C 0.771 175.406 174.700 -0.109 0.000 1.011 318 T CA -0.562 61.520 62.100 -0.030 0.000 0.899 318 T CB 0.060 68.912 68.868 -0.028 0.000 1.089 318 T HN 0.045 nan 8.240 nan 0.000 0.543 319 G N 0.461 109.155 108.800 -0.177 0.000 2.537 319 G HA2 0.475 4.457 3.960 0.038 0.000 0.273 319 G HA3 0.475 4.457 3.960 0.038 0.000 0.273 319 G C -1.258 173.218 174.900 -0.706 0.000 1.189 319 G CA -0.420 44.341 45.100 -0.564 0.000 0.881 319 G HN 0.289 nan 8.290 nan 0.000 0.535 320 D N -0.201 119.731 120.400 -0.781 0.000 2.344 320 D HA 0.393 5.056 4.640 0.038 0.000 0.239 320 D C -0.808 175.133 176.300 -0.599 0.000 1.064 320 D CA -0.708 52.981 54.000 -0.519 0.000 0.829 320 D CB 1.099 41.746 40.800 -0.255 0.000 1.129 320 D HN 0.069 nan 8.370 nan 0.000 0.506 321 F N 2.098 122.048 119.950 0.001 0.000 2.850 321 F HA 0.223 4.773 4.527 0.038 0.000 0.329 321 F C 1.983 177.786 175.800 0.005 0.000 1.182 321 F CA -0.424 57.579 58.000 0.005 0.000 1.270 321 F CB 0.457 39.469 39.000 0.020 0.000 0.979 321 F HN 0.315 nan 8.300 nan 0.000 0.506 322 Q N 0.097 119.957 119.800 0.100 0.000 2.084 322 Q HA -0.131 4.232 4.340 0.038 0.000 0.202 322 Q C 0.275 176.312 176.000 0.062 0.000 0.978 322 Q CA 1.353 57.196 55.803 0.068 0.000 0.844 322 Q CB 0.021 28.773 28.738 0.023 0.000 0.898 322 Q HN 0.328 nan 8.270 nan 0.000 0.426 323 D N 0.247 120.677 120.400 0.050 0.000 2.722 323 D HA 0.181 4.843 4.640 0.038 0.000 0.239 323 D C -0.666 175.660 176.300 0.043 0.000 1.249 323 D CA -0.003 54.018 54.000 0.035 0.000 0.830 323 D CB -0.004 40.803 40.800 0.011 0.000 1.025 323 D HN 0.008 nan 8.370 nan 0.000 0.486 324 L N 0.689 121.960 121.223 0.080 0.000 2.346 324 L HA 0.425 4.788 4.340 0.038 0.000 0.274 324 L C -0.997 175.935 176.870 0.102 0.000 1.007 324 L CA -0.477 54.416 54.840 0.087 0.000 0.818 324 L CB 1.913 44.048 42.059 0.127 0.000 1.284 324 L HN -0.221 nan 8.230 nan 0.000 0.424 325 Q N 3.061 122.935 119.800 0.122 0.000 2.353 325 Q HA 0.793 5.156 4.340 0.038 0.000 0.268 325 Q C -1.492 174.737 176.000 0.383 0.000 1.045 325 Q CA -0.530 55.401 55.803 0.212 0.000 0.811 325 Q CB 2.673 31.493 28.738 0.136 0.000 1.305 325 Q HN 0.455 nan 8.270 nan 0.000 0.447 326 V N 2.158 122.294 119.914 0.370 0.000 2.841 326 V HA 0.543 4.686 4.120 0.038 0.000 0.310 326 V C -1.478 174.589 176.094 -0.044 0.000 1.090 326 V CA -0.902 61.530 62.300 0.221 0.000 0.930 326 V CB 1.998 33.854 31.823 0.055 0.000 1.014 326 V HN 0.624 nan 8.190 nan 0.000 0.425 327 L N 6.320 127.299 121.223 -0.407 0.000 2.325 327 L HA 0.886 5.249 4.340 0.038 0.000 0.281 327 L C -0.495 176.256 176.870 -0.197 0.000 1.004 327 L CA -0.218 54.298 54.840 -0.541 0.000 0.823 327 L CB 1.636 42.912 42.059 -1.305 0.000 1.236 327 L HN 0.634 nan 8.230 nan 0.000 0.415 328 V N 2.186 122.055 119.914 -0.075 0.000 2.914 328 V HA 1.134 5.277 4.120 0.038 0.000 0.314 328 V C -0.075 175.822 176.094 -0.328 0.000 1.084 328 V CA 0.229 62.470 62.300 -0.099 0.000 0.963 328 V CB 1.120 32.852 31.823 -0.152 0.000 1.025 328 V HN 1.055 nan 8.190 nan 0.000 0.432 329 G N 0.985 109.431 108.800 -0.591 0.000 2.489 329 G HA2 0.786 4.769 3.960 0.038 0.000 0.305 329 G HA3 0.786 4.769 3.960 0.038 0.000 0.305 329 G C -1.153 173.432 174.900 -0.524 0.000 1.311 329 G CA 0.057 44.440 45.100 -1.195 0.000 0.813 329 G HN 2.057 nan 8.290 nan 0.000 0.480 330 V N -2.378 117.352 119.914 -0.306 0.000 3.159 330 V HA 0.910 5.053 4.120 0.038 0.000 0.308 330 V C 0.244 176.517 176.094 0.299 0.000 1.190 330 V CA -0.423 61.922 62.300 0.074 0.000 1.037 330 V CB 1.092 32.945 31.823 0.050 0.000 1.060 330 V HN 1.784 nan 8.190 nan 0.000 0.437 331 V N -0.452 119.664 119.914 0.336 0.000 3.109 331 V HA 0.567 4.710 4.120 0.038 0.000 0.317 331 V C 1.364 177.655 176.094 0.328 0.000 1.074 331 V CA -0.059 62.493 62.300 0.420 0.000 1.033 331 V CB 1.222 33.284 31.823 0.399 0.000 1.111 331 V HN 1.076 nan 8.190 nan 0.000 0.458 332 K N -0.379 120.210 120.400 0.315 0.000 2.148 332 K HA -0.029 4.314 4.320 0.038 0.000 0.204 332 K C 0.231 176.958 176.600 0.210 0.000 1.050 332 K CA 1.620 58.045 56.287 0.230 0.000 0.942 332 K CB 0.108 32.715 32.500 0.179 0.000 0.724 332 K HN 0.896 nan 8.250 nan 0.000 0.446 333 D N 1.162 121.697 120.400 0.225 0.000 2.607 333 D HA 0.033 4.696 4.640 0.038 0.000 0.318 333 D C 0.061 176.508 176.300 0.245 0.000 1.212 333 D CA -0.079 54.046 54.000 0.209 0.000 0.861 333 D CB 1.346 42.246 40.800 0.167 0.000 1.064 333 D HN 0.103 nan 8.370 nan 0.000 0.500 334 E N 0.546 120.907 120.200 0.269 0.000 2.160 334 E HA -0.123 4.250 4.350 0.038 0.000 0.195 334 E C 1.926 178.747 176.600 0.367 0.000 0.991 334 E CA 0.720 57.321 56.400 0.336 0.000 0.810 334 E CB 0.179 30.047 29.700 0.280 0.000 0.742 334 E HN 0.454 nan 8.360 nan 0.000 0.466 335 G N 0.804 109.781 108.800 0.295 0.000 2.603 335 G HA2 -0.141 3.842 3.960 0.038 0.000 0.214 335 G HA3 -0.141 3.842 3.960 0.038 0.000 0.214 335 G C 1.715 176.812 174.900 0.328 0.000 1.140 335 G CA 0.722 46.019 45.100 0.328 0.000 0.800 335 G HN 0.353 nan 8.290 nan 0.000 0.533 336 S N 0.242 116.081 115.700 0.231 0.000 2.359 336 S HA -0.256 4.237 4.470 0.038 0.000 0.224 336 S C 2.108 176.708 174.600 0.001 0.000 1.035 336 S CA 1.325 59.609 58.200 0.140 0.000 1.018 336 S CB -0.823 62.371 63.200 -0.010 0.000 0.876 336 S HN 0.383 nan 8.310 nan 0.000 0.448 337 Y N 1.925 122.077 120.300 -0.246 0.000 2.139 337 Y HA -0.200 4.372 4.550 0.037 0.000 0.282 337 Y C 1.751 177.448 175.900 -0.338 0.000 1.179 337 Y CA 1.908 59.696 58.100 -0.519 0.000 1.161 337 Y CB -0.541 37.478 38.460 -0.736 0.000 0.970 337 Y HN 0.305 nan 8.280 nan 0.000 0.511 338 F N -1.226 118.803 119.950 0.131 0.000 2.615 338 F HA -0.032 4.518 4.527 0.037 0.000 0.297 338 F C 1.890 177.740 175.800 0.084 0.000 1.124 338 F CA 0.420 58.490 58.000 0.116 0.000 1.451 338 F CB -0.357 38.653 39.000 0.017 0.000 1.103 338 F HN -0.012 nan 8.300 nan 0.000 0.569 339 L N -0.013 121.292 121.223 0.138 0.000 2.141 339 L HA -0.124 4.238 4.340 0.038 0.000 0.209 339 L C 2.409 179.304 176.870 0.041 0.000 1.094 339 L CA 0.940 55.732 54.840 -0.080 0.000 0.763 339 L CB -0.772 41.011 42.059 -0.460 0.000 0.908 339 L HN 0.162 nan 8.230 nan 0.000 0.437 340 V N -4.726 115.256 119.914 0.113 0.000 3.305 340 V HA -0.192 3.951 4.120 0.038 0.000 0.269 340 V C 1.423 177.446 176.094 -0.119 0.000 1.157 340 V CA 0.993 63.347 62.300 0.090 0.000 1.157 340 V CB -1.194 30.694 31.823 0.109 0.000 0.772 340 V HN 0.328 nan 8.190 nan 0.000 0.498 341 Y N 1.303 121.591 120.300 -0.020 0.000 2.493 341 Y HA 0.633 5.206 4.550 0.038 0.000 0.275 341 Y C 1.848 177.709 175.900 -0.064 0.000 1.183 341 Y CA 0.436 58.494 58.100 -0.070 0.000 1.258 341 Y CB 0.878 39.290 38.460 -0.080 0.000 1.108 341 Y HN 0.403 nan 8.280 nan 0.000 0.521 342 G N -1.459 107.394 108.800 0.088 0.000 4.103 342 G HA2 -0.020 3.963 3.960 0.038 0.000 0.163 342 G HA3 -0.020 3.963 3.960 0.038 0.000 0.163 342 G C -0.678 174.261 174.900 0.065 0.000 0.840 342 G CA -0.336 44.796 45.100 0.054 0.000 0.905 342 G HN -0.091 nan 8.290 nan 0.000 0.377 343 V N 3.345 123.313 119.914 0.089 0.000 2.408 343 V HA 0.390 4.533 4.120 0.038 0.000 0.267 343 V C -2.024 174.229 176.094 0.264 0.000 1.047 343 V CA -1.466 60.919 62.300 0.142 0.000 0.937 343 V CB 1.096 32.958 31.823 0.065 0.000 0.999 343 V HN 0.070 nan 8.190 nan 0.000 0.472 344 P HA 0.281 nan 4.420 nan 0.000 0.265 344 P C 1.001 178.384 177.300 0.139 0.000 1.193 344 P CA 1.162 64.345 63.100 0.139 0.000 0.765 344 P CB 0.729 32.474 31.700 0.076 0.000 0.823 345 G N 0.987 109.803 108.800 0.025 0.000 2.213 345 G HA2 -0.213 3.770 3.960 0.038 0.000 0.226 345 G HA3 -0.213 3.770 3.960 0.038 0.000 0.226 345 G C -0.197 174.484 174.900 -0.366 0.000 0.992 345 G CA -0.593 44.393 45.100 -0.189 0.000 0.632 345 G HN 0.401 nan 8.290 nan 0.000 0.511 346 F N 1.458 121.395 119.950 -0.020 0.000 2.436 346 F HA 0.789 5.339 4.527 0.037 0.000 0.340 346 F C 0.547 176.417 175.800 0.117 0.000 1.113 346 F CA -0.115 57.886 58.000 0.002 0.000 1.022 346 F CB 2.326 41.367 39.000 0.069 0.000 1.128 346 F HN 0.160 nan 8.300 nan 0.000 0.466 347 S N 1.713 117.633 115.700 0.366 0.000 2.547 347 S HA 0.258 4.751 4.470 0.038 0.000 0.270 347 S C 0.306 175.192 174.600 0.476 0.000 1.150 347 S CA -0.866 57.553 58.200 0.366 0.000 0.850 347 S CB 1.343 64.656 63.200 0.189 0.000 1.118 347 S HN 0.762 nan 8.310 nan 0.000 0.461 348 K N 1.250 121.822 120.400 0.288 0.000 2.288 348 K HA 0.062 4.405 4.320 0.038 0.000 0.201 348 K C 0.208 176.799 176.600 -0.014 0.000 1.048 348 K CA 1.408 57.746 56.287 0.086 0.000 0.956 348 K CB -0.131 32.101 32.500 -0.447 0.000 0.746 348 K HN 0.442 nan 8.250 nan 0.000 0.461 349 D N 0.894 121.268 120.400 -0.043 0.000 2.350 349 D HA 0.005 4.668 4.640 0.038 0.000 0.213 349 D C -0.229 176.077 176.300 0.010 0.000 1.031 349 D CA 0.345 54.300 54.000 -0.076 0.000 0.861 349 D CB 0.074 40.810 40.800 -0.107 0.000 0.926 349 D HN 0.493 nan 8.370 nan 0.000 0.520 350 N N -1.286 117.463 118.700 0.080 0.000 2.831 350 N HA 0.087 4.850 4.740 0.038 0.000 0.276 350 N C 0.224 175.779 175.510 0.076 0.000 1.416 350 N CA -0.663 52.414 53.050 0.046 0.000 0.799 350 N CB 0.947 39.420 38.487 -0.024 0.000 1.554 350 N HN -0.344 nan 8.380 nan 0.000 0.541 351 E N -0.674 119.507 120.200 -0.031 0.000 2.478 351 E HA 0.012 4.385 4.350 0.038 0.000 0.198 351 E C -0.563 175.727 176.600 -0.515 0.000 1.046 351 E CA 0.364 56.698 56.400 -0.109 0.000 0.870 351 E CB -0.191 29.470 29.700 -0.064 0.000 0.818 351 E HN 0.557 nan 8.360 nan 0.000 0.527 352 S N -0.211 115.177 115.700 -0.520 0.000 3.682 352 S HA -0.189 4.303 4.470 0.038 0.000 0.354 352 S C -0.060 174.104 174.600 -0.727 0.000 1.034 352 S CA 0.133 57.864 58.200 -0.782 0.000 1.084 352 S CB -1.508 60.898 63.200 -1.323 0.000 0.903 352 S HN 0.311 nan 8.310 nan 0.000 0.470 353 L N 1.809 122.765 121.223 -0.445 0.000 2.315 353 L HA 0.501 4.864 4.340 0.038 0.000 0.283 353 L C 0.647 177.330 176.870 -0.311 0.000 1.089 353 L CA -0.222 54.425 54.840 -0.323 0.000 0.833 353 L CB 0.277 42.216 42.059 -0.200 0.000 1.170 353 L HN 0.439 nan 8.230 nan 0.000 0.442 354 I N 0.224 120.611 120.570 -0.304 0.000 2.750 354 I HA 0.625 4.817 4.170 0.038 0.000 0.308 354 I C 0.532 176.581 176.117 -0.114 0.000 1.016 354 I CA -0.642 60.511 61.300 -0.245 0.000 1.098 354 I CB 1.957 39.774 38.000 -0.305 0.000 1.279 354 I HN 0.545 nan 8.210 nan 0.000 0.454 355 S N 3.002 118.663 115.700 -0.065 0.000 2.614 355 S HA 0.302 4.794 4.470 0.038 0.000 0.265 355 S C 0.999 175.623 174.600 0.041 0.000 1.303 355 S CA -0.390 57.800 58.200 -0.017 0.000 1.000 355 S CB 1.392 64.588 63.200 -0.007 0.000 0.935 355 S HN 0.903 nan 8.310 nan 0.000 0.551 356 R N 0.698 121.226 120.500 0.047 0.000 2.096 356 R HA -0.091 4.272 4.340 0.038 0.000 0.235 356 R C 2.348 178.744 176.300 0.160 0.000 1.127 356 R CA 1.498 57.665 56.100 0.113 0.000 0.968 356 R CB -1.095 29.245 30.300 0.067 0.000 0.861 356 R HN 0.848 nan 8.270 nan 0.000 0.440 357 A N 0.598 123.474 122.820 0.092 0.000 1.908 357 A HA -0.228 4.115 4.320 0.038 0.000 0.218 357 A C 2.029 179.662 177.584 0.081 0.000 1.181 357 A CA 1.585 53.667 52.037 0.074 0.000 0.627 357 A CB -0.485 18.541 19.000 0.044 0.000 0.818 357 A HN 0.513 nan 8.150 nan 0.000 0.445 358 Q N -2.027 117.826 119.800 0.089 0.000 2.224 358 Q HA -0.085 4.278 4.340 0.038 0.000 0.203 358 Q C 1.821 177.930 176.000 0.180 0.000 0.970 358 Q CA 1.341 57.205 55.803 0.102 0.000 0.865 358 Q CB -0.234 28.538 28.738 0.056 0.000 0.922 358 Q HN 0.817 nan 8.270 nan 0.000 0.445 359 F N 0.884 120.870 119.950 0.059 0.000 2.113 359 F HA -0.186 4.368 4.527 0.044 0.000 0.297 359 F C 1.726 177.567 175.800 0.068 0.000 1.103 359 F CA 0.997 59.046 58.000 0.080 0.000 1.248 359 F CB 0.061 39.092 39.000 0.052 0.000 0.999 359 F HN -0.044 nan 8.300 nan 0.000 0.475 360 L N 0.328 121.489 121.223 -0.103 0.000 2.042 360 L HA -0.243 4.120 4.340 0.038 0.000 0.210 360 L C 2.852 179.636 176.870 -0.142 0.000 1.076 360 L CA 1.338 56.066 54.840 -0.187 0.000 0.749 360 L CB -1.578 40.468 42.059 -0.022 0.000 0.893 360 L HN 0.310 nan 8.230 nan 0.000 0.432 361 A N 0.560 123.350 122.820 -0.050 0.000 1.877 361 A HA -0.102 4.241 4.320 0.038 0.000 0.216 361 A C 2.433 179.999 177.584 -0.030 0.000 1.186 361 A CA 1.681 53.706 52.037 -0.021 0.000 0.620 361 A CB -1.212 17.800 19.000 0.020 0.000 0.822 361 A HN 0.435 nan 8.150 nan 0.000 0.443 362 G N -0.610 108.181 108.800 -0.015 0.000 2.442 362 G HA2 -0.116 3.867 3.960 0.038 0.000 0.219 362 G HA3 -0.116 3.867 3.960 0.038 0.000 0.219 362 G C 1.469 176.316 174.900 -0.087 0.000 1.141 362 G CA 1.207 46.305 45.100 -0.002 0.000 0.763 362 G HN 0.322 nan 8.290 nan 0.000 0.554 363 V N 0.977 120.766 119.914 -0.208 0.000 2.407 363 V HA -0.131 4.012 4.120 0.038 0.000 0.248 363 V C 2.941 178.972 176.094 -0.105 0.000 1.055 363 V CA 1.595 63.770 62.300 -0.209 0.000 1.049 363 V CB -0.362 31.250 31.823 -0.351 0.000 0.662 363 V HN 0.238 nan 8.190 nan 0.000 0.455 364 R N -0.109 120.341 120.500 -0.083 0.000 2.115 364 R HA 0.053 4.416 4.340 0.038 0.000 0.230 364 R C 1.997 178.280 176.300 -0.029 0.000 1.111 364 R CA 1.278 57.351 56.100 -0.045 0.000 0.976 364 R CB -0.709 29.572 30.300 -0.032 0.000 0.870 364 R HN 0.480 nan 8.270 nan 0.000 0.445 365 I N -0.647 119.907 120.570 -0.028 0.000 2.480 365 I HA -0.017 4.176 4.170 0.038 0.000 0.251 365 I C 2.200 178.308 176.117 -0.015 0.000 1.124 365 I CA 1.161 62.453 61.300 -0.014 0.000 1.444 365 I CB -0.452 37.546 38.000 -0.003 0.000 1.098 365 I HN 0.159 nan 8.210 nan 0.000 0.428 366 G N 0.560 109.345 108.800 -0.026 0.000 2.511 366 G HA2 -0.008 3.974 3.960 0.038 0.000 0.217 366 G HA3 -0.008 3.974 3.960 0.038 0.000 0.217 366 G C 0.836 175.734 174.900 -0.002 0.000 1.133 366 G CA 0.404 45.493 45.100 -0.018 0.000 0.792 366 G HN 0.238 nan 8.290 nan 0.000 0.539 367 V N 1.856 121.753 119.914 -0.027 0.000 2.405 367 V HA 0.217 4.360 4.120 0.038 0.000 0.253 367 V C -1.552 174.531 176.094 -0.018 0.000 0.963 367 V CA -1.005 61.256 62.300 -0.064 0.000 1.003 367 V CB 1.585 33.343 31.823 -0.109 0.000 1.251 367 V HN 0.067 nan 8.190 nan 0.000 0.520 368 P HA -0.091 nan 4.420 nan 0.000 0.226 368 P C 0.937 178.242 177.300 0.008 0.000 1.153 368 P CA 0.917 64.020 63.100 0.005 0.000 0.777 368 P CB 0.582 32.284 31.700 0.004 0.000 0.794 369 Q N -0.467 119.346 119.800 0.023 0.000 2.360 369 Q HA 0.278 4.641 4.340 0.038 0.000 0.202 369 Q C 0.833 176.834 176.000 0.003 0.000 0.915 369 Q CA -0.074 55.738 55.803 0.016 0.000 0.943 369 Q CB -0.365 28.393 28.738 0.033 0.000 1.064 369 Q HN 0.164 nan 8.270 nan 0.000 0.511 370 A N 0.812 123.628 122.820 -0.005 0.000 2.440 370 A HA 0.431 4.773 4.320 0.038 0.000 0.251 370 A C 0.467 178.042 177.584 -0.015 0.000 1.089 370 A CA -0.246 51.781 52.037 -0.016 0.000 0.779 370 A CB 0.184 19.172 19.000 -0.019 0.000 1.022 370 A HN 0.345 nan 8.150 nan 0.000 0.492 371 S N 1.794 117.483 115.700 -0.019 0.000 2.617 371 S HA 0.142 4.635 4.470 0.038 0.000 0.259 371 S C 0.383 174.980 174.600 -0.005 0.000 1.301 371 S CA 0.114 58.306 58.200 -0.014 0.000 0.984 371 S CB 0.361 63.549 63.200 -0.020 0.000 0.954 371 S HN 0.627 nan 8.310 nan 0.000 0.572 372 D N 0.123 120.523 120.400 -0.000 0.000 2.123 372 D HA -0.089 4.574 4.640 0.038 0.000 0.196 372 D C 1.738 178.050 176.300 0.020 0.000 0.992 372 D CA 0.929 54.934 54.000 0.009 0.000 0.833 372 D CB -0.496 40.311 40.800 0.010 0.000 0.954 372 D HN 0.395 nan 8.370 nan 0.000 0.455 373 L N 0.623 121.857 121.223 0.019 0.000 2.093 373 L HA 0.041 4.404 4.340 0.038 0.000 0.208 373 L C 2.019 178.921 176.870 0.052 0.000 1.085 373 L CA 1.500 56.362 54.840 0.037 0.000 0.755 373 L CB -0.794 41.282 42.059 0.028 0.000 0.904 373 L HN -0.021 nan 8.230 nan 0.000 0.435 374 A N -0.650 122.183 122.820 0.021 0.000 1.929 374 A HA 0.031 4.374 4.320 0.038 0.000 0.216 374 A C 2.424 180.035 177.584 0.046 0.000 1.176 374 A CA 1.404 53.450 52.037 0.014 0.000 0.628 374 A CB -0.966 18.004 19.000 -0.049 0.000 0.816 374 A HN 0.525 nan 8.150 nan 0.000 0.444 375 A N -0.079 122.759 122.820 0.029 0.000 1.898 375 A HA -0.146 4.197 4.320 0.038 0.000 0.216 375 A C 1.893 179.510 177.584 0.055 0.000 1.181 375 A CA 1.615 53.667 52.037 0.024 0.000 0.620 375 A CB -0.489 18.508 19.000 -0.005 0.000 0.819 375 A HN 0.612 nan 8.150 nan 0.000 0.442 376 E N -0.215 120.028 120.200 0.072 0.000 2.058 376 E HA -0.141 4.232 4.350 0.038 0.000 0.194 376 E C 2.314 179.006 176.600 0.153 0.000 0.997 376 E CA 1.047 57.509 56.400 0.105 0.000 0.801 376 E CB -0.305 29.452 29.700 0.094 0.000 0.746 376 E HN 0.615 nan 8.360 nan 0.000 0.450 377 A N 0.746 123.672 122.820 0.177 0.000 1.940 377 A HA -0.169 4.173 4.320 0.038 0.000 0.219 377 A C 2.460 180.182 177.584 0.230 0.000 1.176 377 A CA 1.304 53.492 52.037 0.252 0.000 0.631 377 A CB -0.587 18.651 19.000 0.395 0.000 0.814 377 A HN 0.130 nan 8.150 nan 0.000 0.446 378 V N -0.693 119.362 119.914 0.234 0.000 2.323 378 V HA -0.193 3.950 4.120 0.038 0.000 0.244 378 V C 2.555 178.823 176.094 0.290 0.000 1.041 378 V CA 1.809 64.241 62.300 0.219 0.000 1.025 378 V CB -0.705 31.213 31.823 0.159 0.000 0.656 378 V HN 0.360 nan 8.190 nan 0.000 0.451 379 V N -0.048 119.991 119.914 0.208 0.000 2.332 379 V HA -0.258 3.884 4.120 0.038 0.000 0.248 379 V C 2.289 178.603 176.094 0.368 0.000 1.055 379 V CA 1.992 64.465 62.300 0.288 0.000 1.038 379 V CB -0.487 31.433 31.823 0.162 0.000 0.651 379 V HN 0.446 nan 8.190 nan 0.000 0.450 380 L N -0.773 120.650 121.223 0.333 0.000 2.156 380 L HA -0.160 4.202 4.340 0.038 0.000 0.208 380 L C 2.497 179.586 176.870 0.365 0.000 1.095 380 L CA 1.858 56.971 54.840 0.455 0.000 0.770 380 L CB -0.712 41.555 42.059 0.348 0.000 0.914 380 L HN 0.475 nan 8.230 nan 0.000 0.439 381 H N -1.043 118.051 119.070 0.040 0.000 2.428 381 H HA -0.146 4.435 4.556 0.041 0.000 0.296 381 H C 1.676 176.883 175.328 -0.201 0.000 1.062 381 H CA 1.577 57.495 56.048 -0.216 0.000 1.350 381 H CB 0.174 29.476 29.762 -0.766 0.000 1.403 381 H HN 0.233 nan 8.280 nan 0.000 0.533 382 Y N -0.055 120.307 120.300 0.103 0.000 2.462 382 Y HA 0.159 4.731 4.550 0.037 0.000 0.261 382 Y C 0.653 176.512 175.900 -0.068 0.000 1.146 382 Y CA 0.138 58.302 58.100 0.106 0.000 1.283 382 Y CB 0.460 39.114 38.460 0.324 0.000 1.090 382 Y HN 0.036 nan 8.280 nan 0.000 0.526 383 T N 1.444 115.954 114.554 -0.073 0.000 2.901 383 T HA -0.051 4.322 4.350 0.038 0.000 0.301 383 T C -0.240 174.097 174.700 -0.605 0.000 1.012 383 T CA -0.265 61.522 62.100 -0.522 0.000 1.135 383 T CB 0.354 68.592 68.868 -1.049 0.000 0.936 383 T HN 0.054 nan 8.240 nan 0.000 0.539 384 D N 1.924 122.035 120.400 -0.481 0.000 2.365 384 D HA 0.084 4.746 4.640 0.038 0.000 0.237 384 D C 0.041 176.077 176.300 -0.440 0.000 1.190 384 D CA -0.509 53.297 54.000 -0.323 0.000 0.867 384 D CB 0.481 41.186 40.800 -0.158 0.000 1.050 384 D HN 0.627 nan 8.370 nan 0.000 0.491 385 W N 3.164 124.401 121.300 -0.105 0.000 2.825 385 W HA 0.066 4.747 4.660 0.034 0.000 0.243 385 W C 2.023 178.436 176.519 -0.176 0.000 1.293 385 W CA -0.275 57.001 57.345 -0.114 0.000 1.403 385 W CB 0.130 29.535 29.460 -0.091 0.000 1.134 385 W HN 0.425 nan 8.180 nan 0.000 0.666 386 L N -0.809 120.338 121.223 -0.126 0.000 2.270 386 L HA -0.051 4.312 4.340 0.038 0.000 0.210 386 L C 0.743 177.177 176.870 -0.726 0.000 1.104 386 L CA 0.915 55.507 54.840 -0.412 0.000 0.804 386 L CB -0.148 41.596 42.059 -0.524 0.000 0.937 386 L HN 0.084 nan 8.230 nan 0.000 0.450 387 H N -1.314 117.611 119.070 -0.242 0.000 2.616 387 H HA 0.210 4.772 4.556 0.010 0.000 0.229 387 H C -1.840 173.280 175.328 -0.346 0.000 1.418 387 H CA -1.306 54.545 56.048 -0.329 0.000 1.248 387 H CB 0.348 29.749 29.762 -0.602 0.000 1.822 387 H HN 0.113 nan 8.280 nan 0.000 0.522 388 P HA -0.084 nan 4.420 nan 0.000 0.223 388 P C 0.698 177.872 177.300 -0.209 0.000 1.151 388 P CA 1.071 63.990 63.100 -0.302 0.000 0.787 388 P CB 0.605 32.173 31.700 -0.220 0.000 0.788 389 E N -0.526 119.603 120.200 -0.119 0.000 2.603 389 E HA 0.065 4.438 4.350 0.038 0.000 0.211 389 E C -0.250 176.310 176.600 -0.066 0.000 0.995 389 E CA -0.237 56.117 56.400 -0.078 0.000 0.990 389 E CB 0.128 29.806 29.700 -0.035 0.000 1.036 389 E HN 0.178 nan 8.360 nan 0.000 0.475 390 D N 1.946 122.301 120.400 -0.075 0.000 2.358 390 D HA 0.029 4.692 4.640 0.038 0.000 0.258 390 D C -1.675 174.608 176.300 -0.028 0.000 1.223 390 D CA -1.967 52.012 54.000 -0.034 0.000 0.886 390 D CB 1.351 42.142 40.800 -0.016 0.000 1.120 390 D HN -0.175 nan 8.370 nan 0.000 0.482 391 P HA -0.114 nan 4.420 nan 0.000 0.218 391 P C 1.104 178.355 177.300 -0.082 0.000 1.148 391 P CA 1.030 64.082 63.100 -0.079 0.000 0.822 391 P CB 0.221 31.863 31.700 -0.095 0.000 0.784 392 T N -1.764 112.763 114.554 -0.045 0.000 2.777 392 T HA -0.153 4.220 4.350 0.038 0.000 0.266 392 T C 1.511 176.170 174.700 -0.068 0.000 1.040 392 T CA 1.519 63.580 62.100 -0.066 0.000 1.141 392 T CB -0.957 67.869 68.868 -0.070 0.000 0.868 392 T HN 0.253 nan 8.240 nan 0.000 0.444 393 H N 0.672 119.678 119.070 -0.107 0.000 2.357 393 H HA 0.126 4.698 4.556 0.028 0.000 0.301 393 H C 2.136 177.364 175.328 -0.167 0.000 1.082 393 H CA 1.067 57.046 56.048 -0.115 0.000 1.342 393 H CB -0.405 29.279 29.762 -0.130 0.000 1.389 393 H HN 0.198 nan 8.280 nan 0.000 0.511 394 L N -0.085 121.079 121.223 -0.099 0.000 2.046 394 L HA -0.167 4.196 4.340 0.038 0.000 0.208 394 L C 2.693 179.515 176.870 -0.081 0.000 1.077 394 L CA 1.287 55.954 54.840 -0.289 0.000 0.747 394 L CB -0.333 41.579 42.059 -0.245 0.000 0.896 394 L HN 0.221 nan 8.230 nan 0.000 0.432 395 R N 0.360 120.856 120.500 -0.007 0.000 2.070 395 R HA -0.189 4.174 4.340 0.038 0.000 0.233 395 R C 1.826 178.256 176.300 0.217 0.000 1.137 395 R CA 2.119 58.292 56.100 0.121 0.000 0.945 395 R CB -0.239 29.996 30.300 -0.109 0.000 0.845 395 R HN 0.314 nan 8.270 nan 0.000 0.430 396 D N 0.266 120.739 120.400 0.122 0.000 2.178 396 D HA -0.098 4.564 4.640 0.038 0.000 0.202 396 D C 1.700 178.105 176.300 0.175 0.000 0.974 396 D CA 1.341 55.436 54.000 0.158 0.000 0.841 396 D CB -0.180 40.665 40.800 0.075 0.000 0.953 396 D HN 0.410 nan 8.370 nan 0.000 0.478 397 A N 0.624 123.520 122.820 0.126 0.000 1.930 397 A HA -0.154 4.189 4.320 0.038 0.000 0.217 397 A C 2.128 179.867 177.584 0.258 0.000 1.175 397 A CA 1.373 53.524 52.037 0.189 0.000 0.627 397 A CB -0.429 18.570 19.000 -0.002 0.000 0.815 397 A HN 0.127 nan 8.150 nan 0.000 0.443 398 M N -0.036 119.758 119.600 0.324 0.000 2.086 398 M HA -0.100 4.403 4.480 0.038 0.000 0.261 398 M C 2.328 178.714 176.300 0.143 0.000 1.067 398 M CA 2.131 57.631 55.300 0.333 0.000 1.116 398 M CB -0.661 32.185 32.600 0.411 0.000 1.348 398 M HN 0.409 nan 8.290 nan 0.000 0.407 399 S N -0.308 115.498 115.700 0.176 0.000 2.359 399 S HA -0.153 4.340 4.470 0.038 0.000 0.224 399 S C 2.054 176.751 174.600 0.162 0.000 1.035 399 S CA 1.768 60.076 58.200 0.179 0.000 1.018 399 S CB -0.651 62.711 63.200 0.270 0.000 0.876 399 S HN 0.629 nan 8.310 nan 0.000 0.448 400 A N 0.782 123.714 122.820 0.187 0.000 1.902 400 A HA -0.003 4.340 4.320 0.038 0.000 0.217 400 A C 2.371 180.024 177.584 0.115 0.000 1.181 400 A CA 1.795 53.969 52.037 0.229 0.000 0.623 400 A CB -1.124 18.115 19.000 0.399 0.000 0.818 400 A HN 0.466 nan 8.150 nan 0.000 0.443 401 V N -0.355 119.477 119.914 -0.138 0.000 2.255 401 V HA -0.272 3.871 4.120 0.038 0.000 0.247 401 V C 2.589 178.623 176.094 -0.099 0.000 1.051 401 V CA 2.225 64.363 62.300 -0.269 0.000 1.018 401 V CB -0.880 30.791 31.823 -0.253 0.000 0.641 401 V HN 0.384 nan 8.190 nan 0.000 0.445 402 V N 0.709 120.591 119.914 -0.053 0.000 2.295 402 V HA -0.163 3.980 4.120 0.038 0.000 0.246 402 V C 2.623 178.639 176.094 -0.130 0.000 1.049 402 V CA 2.187 64.445 62.300 -0.069 0.000 1.024 402 V CB -1.396 30.437 31.823 0.017 0.000 0.648 402 V HN 0.623 nan 8.190 nan 0.000 0.447 403 G N -0.481 108.312 108.800 -0.012 0.000 2.422 403 G HA2 -0.222 3.761 3.960 0.038 0.000 0.218 403 G HA3 -0.222 3.761 3.960 0.038 0.000 0.218 403 G C 1.227 176.079 174.900 -0.081 0.000 1.146 403 G CA 1.005 46.110 45.100 0.008 0.000 0.769 403 G HN 0.507 nan 8.290 nan 0.000 0.547 404 D N -0.465 119.886 120.400 -0.081 0.000 2.120 404 D HA -0.034 4.629 4.640 0.038 0.000 0.202 404 D C 2.093 178.070 176.300 -0.539 0.000 0.972 404 D CA 0.980 54.894 54.000 -0.145 0.000 0.837 404 D CB -0.461 40.423 40.800 0.142 0.000 0.989 404 D HN 0.339 nan 8.370 nan 0.000 0.469 405 H N 1.320 119.776 119.070 -1.023 0.000 2.319 405 H HA -0.029 4.549 4.556 0.038 0.000 0.299 405 H C 1.489 176.406 175.328 -0.684 0.000 1.092 405 H CA 1.840 57.100 56.048 -1.312 0.000 1.302 405 H CB -0.009 29.004 29.762 -1.248 0.000 1.373 405 H HN 0.005 nan 8.280 nan 0.000 0.497 406 N N -0.897 117.368 118.700 -0.725 0.000 2.409 406 N HA -0.004 4.759 4.740 0.038 0.000 0.174 406 N C 1.364 176.655 175.510 -0.364 0.000 1.037 406 N CA 1.116 53.689 53.050 -0.795 0.000 0.898 406 N CB 0.977 38.452 38.487 -1.686 0.000 1.010 406 N HN 0.283 nan 8.380 nan 0.000 0.445 407 V N -0.489 119.273 119.914 -0.253 0.000 3.278 407 V HA 0.058 4.201 4.120 0.038 0.000 0.215 407 V C 2.169 178.239 176.094 -0.041 0.000 1.287 407 V CA 0.193 62.474 62.300 -0.032 0.000 1.302 407 V CB -0.111 31.770 31.823 0.097 0.000 1.228 407 V HN -0.174 nan 8.190 nan 0.000 0.523 408 V N 0.068 119.957 119.914 -0.041 0.000 2.295 408 V HA -0.285 3.858 4.120 0.038 0.000 0.246 408 V C 2.478 178.546 176.094 -0.042 0.000 1.049 408 V CA 2.575 64.861 62.300 -0.022 0.000 1.024 408 V CB -0.773 31.065 31.823 0.026 0.000 0.648 408 V HN 0.664 nan 8.190 nan 0.000 0.447 409 c N -0.587 117.976 118.600 -0.062 0.000 2.475 409 c HA 0.037 4.630 4.570 0.038 0.000 0.279 409 c C 0.581 174.645 174.090 -0.042 0.000 1.322 409 c CA 0.703 57.022 56.329 -0.016 0.000 1.734 409 c CB -1.725 40.807 42.510 0.036 0.000 2.005 409 c HN 0.448 nan 8.230 nan 0.000 0.495 410 P HA -0.112 nan 4.420 nan 0.000 0.216 410 P C 1.766 179.011 177.300 -0.091 0.000 1.154 410 P CA 1.530 64.566 63.100 -0.107 0.000 0.865 410 P CB -0.170 31.440 31.700 -0.151 0.000 0.789 411 V N -0.027 119.835 119.914 -0.087 0.000 2.295 411 V HA -0.273 3.870 4.120 0.038 0.000 0.246 411 V C 2.464 178.468 176.094 -0.150 0.000 1.049 411 V CA 2.318 64.550 62.300 -0.113 0.000 1.024 411 V CB -1.717 30.038 31.823 -0.114 0.000 0.648 411 V HN 0.109 nan 8.190 nan 0.000 0.447 412 A N -1.278 121.470 122.820 -0.120 0.000 1.908 412 A HA -0.276 4.067 4.320 0.038 0.000 0.218 412 A C 2.215 179.768 177.584 -0.052 0.000 1.181 412 A CA 1.832 53.806 52.037 -0.105 0.000 0.627 412 A CB -0.540 18.450 19.000 -0.017 0.000 0.818 412 A HN 0.535 nan 8.150 nan 0.000 0.445 413 Q N -1.029 118.756 119.800 -0.025 0.000 2.045 413 Q HA -0.222 4.141 4.340 0.038 0.000 0.206 413 Q C 2.170 178.154 176.000 -0.027 0.000 0.991 413 Q CA 1.920 57.719 55.803 -0.005 0.000 0.851 413 Q CB -0.448 28.282 28.738 -0.012 0.000 0.911 413 Q HN 0.600 nan 8.270 nan 0.000 0.418 414 L N 0.530 121.711 121.223 -0.071 0.000 2.017 414 L HA -0.118 4.244 4.340 0.038 0.000 0.208 414 L C 2.241 179.046 176.870 -0.108 0.000 1.073 414 L CA 2.243 57.028 54.840 -0.092 0.000 0.745 414 L CB -0.929 41.059 42.059 -0.117 0.000 0.894 414 L HN 0.155 nan 8.230 nan 0.000 0.432 415 A N -0.460 122.255 122.820 -0.174 0.000 1.892 415 A HA -0.177 4.166 4.320 0.038 0.000 0.218 415 A C 2.337 179.893 177.584 -0.046 0.000 1.188 415 A CA 1.939 53.817 52.037 -0.265 0.000 0.631 415 A CB -1.689 16.896 19.000 -0.692 0.000 0.822 415 A HN 0.559 nan 8.150 nan 0.000 0.447 416 G N -1.073 107.767 108.800 0.067 0.000 2.402 416 G HA2 -0.168 3.815 3.960 0.038 0.000 0.216 416 G HA3 -0.168 3.815 3.960 0.038 0.000 0.216 416 G C 1.672 176.653 174.900 0.135 0.000 1.162 416 G CA 0.736 45.967 45.100 0.218 0.000 0.777 416 G HN 0.401 nan 8.290 nan 0.000 0.539 417 R N 0.243 120.793 120.500 0.083 0.000 2.075 417 R HA 0.139 4.502 4.340 0.038 0.000 0.232 417 R C 2.655 179.030 176.300 0.125 0.000 1.126 417 R CA 0.459 56.618 56.100 0.098 0.000 0.963 417 R CB -1.191 29.162 30.300 0.087 0.000 0.858 417 R HN 0.390 nan 8.270 nan 0.000 0.435 418 L N 0.435 121.683 121.223 0.040 0.000 2.012 418 L HA -0.151 4.212 4.340 0.038 0.000 0.210 418 L C 2.635 179.568 176.870 0.105 0.000 1.073 418 L CA 1.533 56.375 54.840 0.003 0.000 0.748 418 L CB -0.706 41.251 42.059 -0.169 0.000 0.891 418 L HN 0.151 nan 8.230 nan 0.000 0.431 419 A N -0.028 122.856 122.820 0.107 0.000 1.877 419 A HA -0.170 4.173 4.320 0.038 0.000 0.216 419 A C 2.517 180.166 177.584 0.108 0.000 1.186 419 A CA 1.790 53.899 52.037 0.120 0.000 0.620 419 A CB -0.752 18.358 19.000 0.182 0.000 0.822 419 A HN 0.405 nan 8.150 nan 0.000 0.443 420 A N -1.401 121.487 122.820 0.113 0.000 1.930 420 A HA -0.109 4.234 4.320 0.038 0.000 0.217 420 A C 1.892 179.534 177.584 0.098 0.000 1.175 420 A CA 1.707 53.799 52.037 0.092 0.000 0.627 420 A CB -0.342 18.709 19.000 0.086 0.000 0.815 420 A HN 0.442 nan 8.150 nan 0.000 0.443 421 Q N -1.140 118.750 119.800 0.149 0.000 2.329 421 Q HA 0.329 4.692 4.340 0.038 0.000 0.208 421 Q C 1.025 177.120 176.000 0.159 0.000 0.934 421 Q CA 0.745 56.644 55.803 0.161 0.000 0.951 421 Q CB -0.123 28.790 28.738 0.291 0.000 1.017 421 Q HN 0.905 nan 8.270 nan 0.000 0.490 422 G N -1.613 107.265 108.800 0.129 0.000 2.176 422 G HA2 -0.226 3.756 3.960 0.038 0.000 0.232 422 G HA3 -0.226 3.756 3.960 0.038 0.000 0.232 422 G C 0.283 175.252 174.900 0.115 0.000 0.986 422 G CA -0.108 45.051 45.100 0.099 0.000 0.643 422 G HN 0.595 nan 8.290 nan 0.000 0.522 423 A N -0.210 122.700 122.820 0.150 0.000 2.351 423 A HA 0.770 5.113 4.320 0.038 0.000 0.257 423 A C 0.589 178.214 177.584 0.067 0.000 1.087 423 A CA 0.271 52.380 52.037 0.120 0.000 0.798 423 A CB 0.403 19.458 19.000 0.092 0.000 1.033 423 A HN 0.661 nan 8.150 nan 0.000 0.488 424 R N 1.110 121.647 120.500 0.062 0.000 2.196 424 R HA 0.501 4.864 4.340 0.038 0.000 0.340 424 R C -1.404 174.905 176.300 0.014 0.000 1.043 424 R CA 0.007 56.118 56.100 0.019 0.000 0.883 424 R CB 0.449 30.788 30.300 0.065 0.000 1.078 424 R HN 0.470 nan 8.270 nan 0.000 0.462 425 V N 5.577 125.433 119.914 -0.096 0.000 2.540 425 V HA 0.424 4.567 4.120 0.038 0.000 0.302 425 V C -1.084 174.876 176.094 -0.222 0.000 1.035 425 V CA -0.823 61.441 62.300 -0.060 0.000 0.873 425 V CB 1.599 33.433 31.823 0.019 0.000 0.992 425 V HN 0.632 nan 8.190 nan 0.000 0.428 426 Y N 2.142 122.414 120.300 -0.047 0.000 2.376 426 Y HA 0.804 5.376 4.550 0.038 0.000 0.340 426 Y C 0.320 176.298 175.900 0.130 0.000 0.965 426 Y CA -0.517 57.554 58.100 -0.049 0.000 1.078 426 Y CB 2.234 40.330 38.460 -0.608 0.000 1.193 426 Y HN 0.780 nan 8.280 nan 0.000 0.452 427 A N 2.983 126.168 122.820 0.608 0.000 2.423 427 A HA 0.900 5.242 4.320 0.038 0.000 0.304 427 A C -1.870 176.120 177.584 0.677 0.000 1.104 427 A CA -0.718 51.582 52.037 0.438 0.000 0.757 427 A CB 1.240 20.317 19.000 0.128 0.000 1.313 427 A HN 0.764 nan 8.150 nan 0.000 0.423 428 Y N -0.920 119.620 120.300 0.401 0.000 2.597 428 Y HA 0.773 5.346 4.550 0.037 0.000 0.340 428 Y C -1.277 174.808 175.900 0.308 0.000 1.097 428 Y CA -1.488 56.802 58.100 0.317 0.000 1.037 428 Y CB 1.218 39.862 38.460 0.308 0.000 1.305 428 Y HN 0.738 nan 8.280 nan 0.000 0.463 429 I N 3.440 124.319 120.570 0.516 0.000 2.465 429 I HA 0.504 4.697 4.170 0.038 0.000 0.291 429 I C -1.833 174.626 176.117 0.571 0.000 1.014 429 I CA -1.060 60.511 61.300 0.451 0.000 1.093 429 I CB 1.167 39.373 38.000 0.343 0.000 1.267 429 I HN 0.741 nan 8.210 nan 0.000 0.431 430 F N 7.312 127.548 119.950 0.476 0.000 2.391 430 F HA 0.413 4.963 4.527 0.039 0.000 0.359 430 F C 0.526 176.489 175.800 0.270 0.000 1.122 430 F CA 0.036 58.270 58.000 0.390 0.000 1.120 430 F CB 0.920 40.176 39.000 0.426 0.000 1.142 430 F HN 0.558 nan 8.300 nan 0.000 0.483 431 E N 3.053 123.098 120.200 -0.259 0.000 2.630 431 E HA -0.019 4.354 4.350 0.038 0.000 0.218 431 E C -0.759 175.695 176.600 -0.243 0.000 0.977 431 E CA -0.172 56.150 56.400 -0.130 0.000 1.038 431 E CB 0.297 29.962 29.700 -0.059 0.000 1.051 431 E HN 0.523 nan 8.360 nan 0.000 0.487 432 H N 1.615 120.281 119.070 -0.673 0.000 2.562 432 H HA 0.239 4.817 4.556 0.038 0.000 0.314 432 H C -0.428 174.825 175.328 -0.126 0.000 1.079 432 H CA -0.430 55.311 56.048 -0.512 0.000 1.349 432 H CB 0.571 29.819 29.762 -0.856 0.000 1.432 432 H HN -0.143 nan 8.280 nan 0.000 0.479 433 R N 4.174 124.291 120.500 -0.638 0.000 2.229 433 R HA 0.529 4.892 4.340 0.038 0.000 0.328 433 R C -0.640 175.373 176.300 -0.479 0.000 1.009 433 R CA -0.725 55.178 56.100 -0.327 0.000 0.864 433 R CB 0.488 30.695 30.300 -0.155 0.000 1.085 433 R HN 0.808 nan 8.270 nan 0.000 0.453 434 A N 3.083 125.926 122.820 0.038 0.000 2.567 434 A HA 0.000 4.343 4.320 0.038 0.000 0.240 434 A C 1.306 178.982 177.584 0.153 0.000 1.053 434 A CA 0.530 52.787 52.037 0.368 0.000 0.755 434 A CB 0.270 19.605 19.000 0.558 0.000 0.978 434 A HN 1.024 nan 8.150 nan 0.000 0.507 435 S N 1.467 117.295 115.700 0.213 0.000 2.447 435 S HA -0.146 4.347 4.470 0.038 0.000 0.233 435 S C 1.310 175.909 174.600 -0.002 0.000 1.006 435 S CA 1.543 59.798 58.200 0.091 0.000 0.957 435 S CB -0.703 62.575 63.200 0.131 0.000 0.773 435 S HN 1.237 nan 8.310 nan 0.000 0.507 436 T N -0.920 113.599 114.554 -0.058 0.000 3.122 436 T HA 0.384 4.757 4.350 0.038 0.000 0.250 436 T C 0.301 174.935 174.700 -0.110 0.000 1.067 436 T CA -0.590 61.416 62.100 -0.156 0.000 0.966 436 T CB -0.464 68.179 68.868 -0.374 0.000 1.002 436 T HN 0.198 nan 8.240 nan 0.000 0.542 437 L N 4.060 125.254 121.223 -0.048 0.000 2.540 437 L HA 0.204 4.567 4.340 0.038 0.000 0.276 437 L C 1.696 178.520 176.870 -0.078 0.000 1.212 437 L CA 0.818 55.619 54.840 -0.066 0.000 0.893 437 L CB 0.743 42.768 42.059 -0.056 0.000 1.138 437 L HN 0.464 nan 8.230 nan 0.000 0.491 438 T N -0.567 113.903 114.554 -0.140 0.000 3.057 438 T HA 0.059 4.432 4.350 0.038 0.000 0.254 438 T C 0.436 175.137 174.700 0.001 0.000 1.094 438 T CA -0.413 61.610 62.100 -0.128 0.000 1.088 438 T CB -0.293 68.391 68.868 -0.307 0.000 0.934 438 T HN 0.387 nan 8.240 nan 0.000 0.497 439 W N 3.565 124.900 121.300 0.057 0.000 2.137 439 W HA 0.375 5.058 4.660 0.038 0.000 0.344 439 W C -1.919 174.524 176.519 -0.126 0.000 1.286 439 W CA -2.161 55.188 57.345 0.006 0.000 1.240 439 W CB 0.156 29.551 29.460 -0.109 0.000 1.141 439 W HN 0.010 nan 8.180 nan 0.000 0.579 440 P HA 0.010 nan 4.420 nan 0.000 0.272 440 P C 0.559 177.796 177.300 -0.104 0.000 1.240 440 P CA -0.017 63.064 63.100 -0.033 0.000 0.791 440 P CB 0.874 32.571 31.700 -0.006 0.000 0.978 441 L N 0.006 121.227 121.223 -0.002 0.000 2.127 441 L HA -0.135 4.228 4.340 0.038 0.000 0.211 441 L C 2.584 179.484 176.870 0.050 0.000 1.089 441 L CA 1.417 56.270 54.840 0.022 0.000 0.757 441 L CB -0.848 41.249 42.059 0.064 0.000 0.899 441 L HN 0.613 nan 8.230 nan 0.000 0.434 442 W N -0.360 120.979 121.300 0.064 0.000 2.421 442 W HA -0.157 4.525 4.660 0.037 0.000 0.270 442 W C 1.725 178.296 176.519 0.087 0.000 1.233 442 W CA 0.530 57.916 57.345 0.067 0.000 1.226 442 W CB -0.758 28.743 29.460 0.069 0.000 1.121 442 W HN 0.181 nan 8.180 nan 0.000 0.579 443 M N 1.266 120.527 119.600 -0.565 0.000 2.562 443 M HA 0.136 4.638 4.480 0.038 0.000 0.257 443 M C 1.790 177.997 176.300 -0.155 0.000 1.099 443 M CA 1.483 56.439 55.300 -0.573 0.000 1.099 443 M CB -0.612 31.475 32.600 -0.855 0.000 1.427 443 M HN 0.196 nan 8.290 nan 0.000 0.489 444 G N 0.667 109.427 108.800 -0.066 0.000 2.561 444 G HA2 -0.286 3.697 3.960 0.038 0.000 0.289 444 G HA3 -0.286 3.697 3.960 0.038 0.000 0.289 444 G C -0.132 174.779 174.900 0.018 0.000 1.169 444 G CA -0.165 44.943 45.100 0.013 0.000 0.980 444 G HN 0.220 nan 8.290 nan 0.000 0.550 445 V N 3.783 123.748 119.914 0.085 0.000 2.270 445 V HA 0.453 4.596 4.120 0.038 0.000 0.263 445 V C -1.788 174.436 176.094 0.218 0.000 1.066 445 V CA -0.713 61.686 62.300 0.166 0.000 0.857 445 V CB 0.886 32.845 31.823 0.227 0.000 1.099 445 V HN 0.521 nan 8.190 nan 0.000 0.476 446 P HA 0.191 nan 4.420 nan 0.000 0.276 446 P C -0.224 177.291 177.300 0.358 0.000 1.244 446 P CA -0.554 62.678 63.100 0.219 0.000 0.801 446 P CB 0.397 32.138 31.700 0.069 0.000 1.006 447 H N 0.740 119.894 119.070 0.140 0.000 3.192 447 H HA 0.227 4.806 4.556 0.038 0.000 0.295 447 H C 1.533 176.779 175.328 -0.137 0.000 0.943 447 H CA 2.382 58.453 56.048 0.039 0.000 1.416 447 H CB -0.706 29.064 29.762 0.013 0.000 1.434 447 H HN 0.753 nan 8.280 nan 0.000 0.565 448 G N 3.469 112.034 108.800 -0.392 0.000 2.232 448 G HA2 -0.304 3.678 3.960 0.038 0.000 0.226 448 G HA3 -0.304 3.678 3.960 0.038 0.000 0.226 448 G C 0.537 175.310 174.900 -0.211 0.000 0.996 448 G CA 0.291 45.125 45.100 -0.443 0.000 0.626 448 G HN 0.634 nan 8.290 nan 0.000 0.509 449 Y N 1.744 122.142 120.300 0.163 0.000 2.495 449 Y HA 0.261 4.835 4.550 0.039 0.000 0.293 449 Y C 2.267 178.326 175.900 0.265 0.000 1.186 449 Y CA 0.826 59.096 58.100 0.282 0.000 1.266 449 Y CB 0.444 39.107 38.460 0.338 0.000 1.101 449 Y HN 0.483 nan 8.280 nan 0.000 0.517 450 E N 0.113 120.321 120.200 0.013 0.000 2.400 450 E HA -0.054 4.319 4.350 0.038 0.000 0.195 450 E C 1.530 178.020 176.600 -0.183 0.000 1.012 450 E CA 0.683 56.770 56.400 -0.521 0.000 0.875 450 E CB -0.320 28.664 29.700 -1.194 0.000 0.859 450 E HN 0.549 nan 8.360 nan 0.000 0.498 451 I N 2.713 123.267 120.570 -0.026 0.000 2.252 451 I HA -0.269 3.924 4.170 0.038 0.000 0.245 451 I C 2.692 178.806 176.117 -0.005 0.000 1.102 451 I CA 1.869 63.187 61.300 0.030 0.000 1.385 451 I CB -0.433 37.662 38.000 0.158 0.000 1.064 451 I HN 0.180 nan 8.210 nan 0.000 0.414 452 E N 1.146 121.296 120.200 -0.084 0.000 2.160 452 E HA -0.242 4.131 4.350 0.038 0.000 0.195 452 E C 2.020 178.350 176.600 -0.450 0.000 0.991 452 E CA 1.514 57.755 56.400 -0.266 0.000 0.810 452 E CB -0.533 28.992 29.700 -0.292 0.000 0.742 452 E HN 0.426 nan 8.360 nan 0.000 0.466 453 F N 1.152 120.990 119.950 -0.187 0.000 2.187 453 F HA 0.072 4.622 4.527 0.039 0.000 0.295 453 F C 2.312 177.868 175.800 -0.406 0.000 1.091 453 F CA 0.743 58.574 58.000 -0.282 0.000 1.308 453 F CB -0.203 38.719 39.000 -0.129 0.000 1.030 453 F HN -0.074 nan 8.300 nan 0.000 0.487 454 I N -1.302 119.086 120.570 -0.304 0.000 2.315 454 I HA -0.281 3.912 4.170 0.038 0.000 0.248 454 I C 1.924 177.766 176.117 -0.457 0.000 1.117 454 I CA 1.326 62.281 61.300 -0.575 0.000 1.404 454 I CB -0.453 37.029 38.000 -0.863 0.000 1.071 454 I HN -0.002 nan 8.210 nan 0.000 0.419 455 F N 0.728 120.474 119.950 -0.340 0.000 2.502 455 F HA 0.088 4.638 4.527 0.038 0.000 0.298 455 F C 1.878 177.522 175.800 -0.259 0.000 1.111 455 F CA 1.013 58.858 58.000 -0.260 0.000 1.445 455 F CB -0.155 38.680 39.000 -0.274 0.000 1.081 455 F HN 0.201 nan 8.300 nan 0.000 0.558 456 G N -0.231 108.401 108.800 -0.279 0.000 2.130 456 G HA2 -0.267 3.716 3.960 0.038 0.000 0.216 456 G HA3 -0.267 3.716 3.960 0.038 0.000 0.216 456 G C 0.867 175.157 174.900 -1.016 0.000 0.999 456 G CA 0.205 45.012 45.100 -0.488 0.000 0.686 456 G HN 0.265 nan 8.290 nan 0.000 0.515 457 L N 0.425 121.106 121.223 -0.903 0.000 2.079 457 L HA 0.054 4.417 4.340 0.038 0.000 0.210 457 L C 0.354 176.707 176.870 -0.862 0.000 1.081 457 L CA 2.606 56.869 54.840 -0.962 0.000 0.752 457 L CB -0.938 40.823 42.059 -0.496 0.000 0.896 457 L HN 0.192 nan 8.230 nan 0.000 0.433 458 P HA -0.155 nan 4.420 nan 0.000 0.224 458 P C 1.483 178.568 177.300 -0.359 0.000 1.142 458 P CA 0.944 63.568 63.100 -0.794 0.000 0.778 458 P CB 0.032 31.255 31.700 -0.794 0.000 0.764 459 L N -1.414 119.535 121.223 -0.457 0.000 2.395 459 L HA 0.007 4.369 4.340 0.038 0.000 0.218 459 L C 0.899 177.720 176.870 -0.082 0.000 1.130 459 L CA 1.055 55.753 54.840 -0.236 0.000 0.826 459 L CB -0.988 40.947 42.059 -0.207 0.000 0.941 459 L HN -0.077 nan 8.230 nan 0.000 0.451 460 D N 0.444 120.773 120.400 -0.118 0.000 2.365 460 D HA 0.105 4.768 4.640 0.038 0.000 0.237 460 D C -1.534 174.799 176.300 0.055 0.000 1.190 460 D CA -2.219 51.829 54.000 0.079 0.000 0.867 460 D CB 1.372 42.280 40.800 0.180 0.000 1.050 460 D HN -0.026 nan 8.370 nan 0.000 0.491 461 P HA -0.119 nan 4.420 nan 0.000 0.223 461 P C 1.141 178.463 177.300 0.036 0.000 1.151 461 P CA 0.578 63.706 63.100 0.046 0.000 0.787 461 P CB 0.046 31.767 31.700 0.035 0.000 0.788 462 S N -0.271 115.449 115.700 0.033 0.000 2.469 462 S HA -0.072 4.421 4.470 0.038 0.000 0.238 462 S C 1.839 176.437 174.600 -0.005 0.000 0.998 462 S CA 0.736 58.943 58.200 0.012 0.000 0.957 462 S CB -1.451 61.757 63.200 0.012 0.000 0.764 462 S HN 0.141 nan 8.310 nan 0.000 0.514 463 L N 0.544 121.777 121.223 0.016 0.000 2.509 463 L HA 0.196 4.559 4.340 0.038 0.000 0.222 463 L C 0.288 177.084 176.870 -0.124 0.000 1.123 463 L CA 0.011 54.834 54.840 -0.029 0.000 0.856 463 L CB -0.679 41.428 42.059 0.079 0.000 0.985 463 L HN 0.245 nan 8.230 nan 0.000 0.456 464 N N -1.464 117.208 118.700 -0.046 0.000 2.818 464 N HA -0.211 4.552 4.740 0.038 0.000 0.250 464 N C -0.413 175.040 175.510 -0.097 0.000 1.108 464 N CA 0.741 53.748 53.050 -0.072 0.000 0.745 464 N CB -1.765 36.656 38.487 -0.111 0.000 1.104 464 N HN 0.295 nan 8.380 nan 0.000 0.557 465 Y N 1.109 121.401 120.300 -0.015 0.000 2.330 465 Y HA 0.172 4.745 4.550 0.038 0.000 0.341 465 Y C 2.050 177.977 175.900 0.044 0.000 1.278 465 Y CA 0.367 58.485 58.100 0.030 0.000 1.453 465 Y CB 0.410 38.880 38.460 0.017 0.000 1.342 465 Y HN 0.083 nan 8.280 nan 0.000 0.590 466 T N -3.067 111.642 114.554 0.258 0.000 2.788 466 T HA 0.072 4.445 4.350 0.038 0.000 0.287 466 T C 1.093 175.872 174.700 0.133 0.000 1.007 466 T CA -0.325 61.868 62.100 0.155 0.000 1.005 466 T CB 0.816 69.765 68.868 0.135 0.000 1.012 466 T HN 0.692 nan 8.240 nan 0.000 0.530 467 T N 1.063 115.665 114.554 0.081 0.000 2.746 467 T HA -0.099 4.274 4.350 0.038 0.000 0.267 467 T C 1.959 176.690 174.700 0.052 0.000 1.039 467 T CA 1.546 63.679 62.100 0.056 0.000 1.142 467 T CB -0.298 68.591 68.868 0.036 0.000 0.866 467 T HN 0.828 nan 8.240 nan 0.000 0.444 468 E N 1.773 122.000 120.200 0.045 0.000 2.150 468 E HA -0.136 4.237 4.350 0.038 0.000 0.193 468 E C 1.795 178.418 176.600 0.038 0.000 0.985 468 E CA 0.923 57.332 56.400 0.015 0.000 0.814 468 E CB -0.383 29.299 29.700 -0.029 0.000 0.752 468 E HN 0.574 nan 8.360 nan 0.000 0.466 469 E N 0.596 120.862 120.200 0.110 0.000 2.150 469 E HA -0.096 4.277 4.350 0.038 0.000 0.193 469 E C 2.245 178.973 176.600 0.214 0.000 0.985 469 E CA 0.350 56.900 56.400 0.250 0.000 0.814 469 E CB 0.005 29.987 29.700 0.471 0.000 0.752 469 E HN 0.082 nan 8.360 nan 0.000 0.466 470 R N 0.990 121.547 120.500 0.095 0.000 2.062 470 R HA -0.086 4.277 4.340 0.038 0.000 0.229 470 R C 2.193 178.501 176.300 0.013 0.000 1.128 470 R CA 0.957 57.061 56.100 0.006 0.000 0.960 470 R CB -0.296 30.004 30.300 -0.001 0.000 0.855 470 R HN 0.186 nan 8.270 nan 0.000 0.432 471 I N 0.507 121.101 120.570 0.041 0.000 2.286 471 I HA -0.289 3.904 4.170 0.038 0.000 0.248 471 I C 2.287 178.444 176.117 0.067 0.000 1.115 471 I CA 1.087 62.407 61.300 0.034 0.000 1.392 471 I CB -0.389 37.630 38.000 0.031 0.000 1.065 471 I HN 0.107 nan 8.210 nan 0.000 0.418 472 F N 1.897 121.800 119.950 -0.078 0.000 2.102 472 F HA -0.201 4.349 4.527 0.040 0.000 0.298 472 F C 2.471 178.244 175.800 -0.044 0.000 1.105 472 F CA 1.241 59.183 58.000 -0.097 0.000 1.239 472 F CB -0.690 38.188 39.000 -0.203 0.000 0.991 472 F HN 0.014 nan 8.300 nan 0.000 0.474 473 A N 0.108 122.877 122.820 -0.084 0.000 1.883 473 A HA -0.270 4.073 4.320 0.038 0.000 0.217 473 A C 2.167 179.611 177.584 -0.233 0.000 1.186 473 A CA 1.993 53.911 52.037 -0.198 0.000 0.624 473 A CB -0.995 17.906 19.000 -0.165 0.000 0.822 473 A HN 0.613 nan 8.150 nan 0.000 0.444 474 Q N -0.901 118.805 119.800 -0.156 0.000 2.124 474 Q HA -0.177 4.186 4.340 0.038 0.000 0.202 474 Q C 2.377 178.268 176.000 -0.182 0.000 0.977 474 Q CA 1.508 57.227 55.803 -0.139 0.000 0.850 474 Q CB -0.180 28.507 28.738 -0.085 0.000 0.901 474 Q HN 0.627 nan 8.270 nan 0.000 0.429 475 R N 0.248 120.622 120.500 -0.209 0.000 2.073 475 R HA -0.120 4.243 4.340 0.038 0.000 0.234 475 R C 2.311 178.318 176.300 -0.489 0.000 1.134 475 R CA 1.203 57.097 56.100 -0.342 0.000 0.952 475 R CB -0.296 29.869 30.300 -0.225 0.000 0.850 475 R HN 0.248 nan 8.270 nan 0.000 0.433 476 L N 0.008 121.019 121.223 -0.352 0.000 2.056 476 L HA -0.152 4.211 4.340 0.038 0.000 0.207 476 L C 2.543 179.333 176.870 -0.133 0.000 1.078 476 L CA 1.234 55.951 54.840 -0.205 0.000 0.749 476 L CB -0.369 41.416 42.059 -0.456 0.000 0.901 476 L HN 0.231 nan 8.230 nan 0.000 0.433 477 M N -0.524 118.944 119.600 -0.220 0.000 2.144 477 M HA -0.244 4.258 4.480 0.038 0.000 0.260 477 M C 2.284 178.565 176.300 -0.033 0.000 1.067 477 M CA 1.739 56.951 55.300 -0.147 0.000 1.095 477 M CB -0.319 32.190 32.600 -0.151 0.000 1.365 477 M HN 0.133 nan 8.290 nan 0.000 0.406 478 K N -0.677 119.676 120.400 -0.079 0.000 2.103 478 K HA -0.111 4.232 4.320 0.038 0.000 0.204 478 K C 1.898 178.551 176.600 0.088 0.000 1.052 478 K CA 1.244 57.504 56.287 -0.044 0.000 0.945 478 K CB -0.102 32.317 32.500 -0.135 0.000 0.722 478 K HN 0.261 nan 8.250 nan 0.000 0.443 479 Y N 0.177 120.601 120.300 0.206 0.000 2.097 479 Y HA -0.246 4.327 4.550 0.038 0.000 0.282 479 Y C 2.297 178.321 175.900 0.207 0.000 1.152 479 Y CA 0.851 59.103 58.100 0.253 0.000 1.136 479 Y CB -0.874 37.881 38.460 0.491 0.000 0.975 479 Y HN 0.215 nan 8.280 nan 0.000 0.498 480 W N 0.589 121.951 121.300 0.103 0.000 2.338 480 W HA -0.246 4.436 4.660 0.037 0.000 0.304 480 W C 2.494 179.005 176.519 -0.013 0.000 1.212 480 W CA 2.264 59.608 57.345 -0.002 0.000 1.264 480 W CB -0.689 28.696 29.460 -0.125 0.000 1.142 480 W HN 0.252 nan 8.180 nan 0.000 0.512 481 T N -2.311 112.345 114.554 0.171 0.000 2.942 481 T HA -0.124 4.249 4.350 0.038 0.000 0.265 481 T C 1.460 176.184 174.700 0.039 0.000 1.062 481 T CA 1.127 63.261 62.100 0.057 0.000 1.139 481 T CB -0.600 68.279 68.868 0.019 0.000 0.883 481 T HN -0.085 nan 8.240 nan 0.000 0.468 482 N N 1.091 119.831 118.700 0.066 0.000 2.069 482 N HA -0.038 4.725 4.740 0.038 0.000 0.191 482 N C 1.398 176.902 175.510 -0.009 0.000 1.031 482 N CA 1.211 54.280 53.050 0.032 0.000 0.852 482 N CB -0.739 37.787 38.487 0.065 0.000 1.018 482 N HN 0.478 nan 8.380 nan 0.000 0.423 483 F N 1.687 121.543 119.950 -0.156 0.000 2.095 483 F HA -0.141 4.409 4.527 0.039 0.000 0.298 483 F C 2.193 177.904 175.800 -0.148 0.000 1.104 483 F CA 1.501 59.357 58.000 -0.240 0.000 1.232 483 F CB -0.534 38.234 39.000 -0.386 0.000 0.987 483 F HN 0.048 nan 8.300 nan 0.000 0.475 484 A N 0.684 123.432 122.820 -0.120 0.000 1.883 484 A HA -0.224 4.119 4.320 0.038 0.000 0.217 484 A C 2.376 179.849 177.584 -0.186 0.000 1.186 484 A CA 1.940 53.877 52.037 -0.167 0.000 0.624 484 A CB -0.807 18.161 19.000 -0.054 0.000 0.822 484 A HN 0.477 nan 8.150 nan 0.000 0.444 485 R N -1.273 119.150 120.500 -0.128 0.000 2.081 485 R HA -0.094 4.269 4.340 0.038 0.000 0.235 485 R C 2.001 178.217 176.300 -0.140 0.000 1.131 485 R CA 1.945 57.981 56.100 -0.106 0.000 0.960 485 R CB -0.250 30.013 30.300 -0.062 0.000 0.856 485 R HN 0.758 nan 8.270 nan 0.000 0.436 486 T N -5.914 108.532 114.554 -0.179 0.000 3.009 486 T HA 0.244 4.617 4.350 0.038 0.000 0.267 486 T C 1.131 175.703 174.700 -0.213 0.000 0.942 486 T CA 0.381 62.388 62.100 -0.156 0.000 0.883 486 T CB 1.381 70.194 68.868 -0.092 0.000 1.192 486 T HN 0.335 nan 8.240 nan 0.000 0.524 487 G N 1.351 109.901 108.800 -0.416 0.000 2.143 487 G HA2 -0.162 3.821 3.960 0.038 0.000 0.249 487 G HA3 -0.162 3.821 3.960 0.038 0.000 0.249 487 G C -0.377 174.438 174.900 -0.141 0.000 0.981 487 G CA 0.198 44.983 45.100 -0.525 0.000 0.665 487 G HN 0.804 nan 8.290 nan 0.000 0.528 488 D N -0.582 119.724 120.400 -0.157 0.000 2.788 488 D HA 0.460 5.122 4.640 0.038 0.000 0.247 488 D C -1.523 174.593 176.300 -0.307 0.000 1.236 488 D CA -1.671 52.174 54.000 -0.258 0.000 0.898 488 D CB 2.159 42.920 40.800 -0.064 0.000 1.401 488 D HN 0.001 nan 8.370 nan 0.000 0.549 489 P HA -0.006 nan 4.420 nan 0.000 0.241 489 P C -0.060 177.231 177.300 -0.015 0.000 1.191 489 P CA -0.012 62.896 63.100 -0.319 0.000 0.771 489 P CB 0.368 31.597 31.700 -0.786 0.000 0.929 490 N N 1.587 120.253 118.700 -0.057 0.000 2.518 490 N HA 0.017 4.780 4.740 0.038 0.000 0.266 490 N C 0.095 175.667 175.510 0.104 0.000 1.196 490 N CA 0.326 53.444 53.050 0.113 0.000 0.947 490 N CB 0.595 39.146 38.487 0.106 0.000 1.098 490 N HN 0.068 nan 8.380 nan 0.000 0.450 491 D N 2.392 122.875 120.400 0.138 0.000 2.358 491 D HA 0.052 4.715 4.640 0.038 0.000 0.258 491 D C -1.272 175.068 176.300 0.067 0.000 1.223 491 D CA -1.254 52.800 54.000 0.090 0.000 0.886 491 D CB 1.268 42.120 40.800 0.086 0.000 1.120 491 D HN 0.314 nan 8.370 nan 0.000 0.482 492 P HA -0.054 nan 4.420 nan 0.000 0.226 492 P C 0.771 178.092 177.300 0.036 0.000 1.153 492 P CA 0.661 63.783 63.100 0.036 0.000 0.777 492 P CB 0.581 32.294 31.700 0.021 0.000 0.794 493 R N -0.885 119.636 120.500 0.036 0.000 2.369 493 R HA 0.112 4.475 4.340 0.038 0.000 0.210 493 R C 0.256 176.578 176.300 0.037 0.000 0.881 493 R CA -0.051 56.069 56.100 0.032 0.000 1.031 493 R CB -0.721 29.594 30.300 0.025 0.000 1.184 493 R HN 0.175 nan 8.270 nan 0.000 0.581 494 D N 2.001 122.427 120.400 0.044 0.000 2.389 494 D HA -0.031 4.632 4.640 0.038 0.000 0.263 494 D C 1.220 177.554 176.300 0.057 0.000 1.255 494 D CA 0.256 54.286 54.000 0.049 0.000 0.914 494 D CB 1.046 41.881 40.800 0.058 0.000 1.116 494 D HN -0.030 nan 8.370 nan 0.000 0.502 495 S N 4.266 119.995 115.700 0.048 0.000 2.490 495 S HA -0.250 4.243 4.470 0.038 0.000 0.243 495 S C 0.779 175.416 174.600 0.062 0.000 1.052 495 S CA 1.200 59.430 58.200 0.050 0.000 1.254 495 S CB -0.075 63.149 63.200 0.041 0.000 1.191 495 S HN 0.616 nan 8.310 nan 0.000 0.422 496 K N -0.925 119.513 120.400 0.063 0.000 2.352 496 K HA 0.509 4.852 4.320 0.038 0.000 0.240 496 K C -0.850 175.801 176.600 0.086 0.000 1.017 496 K CA 0.052 56.383 56.287 0.074 0.000 0.851 496 K CB 1.852 34.388 32.500 0.060 0.000 1.261 496 K HN 0.397 nan 8.250 nan 0.000 0.451 497 S N 0.361 116.122 115.700 0.102 0.000 2.885 497 S HA 0.240 4.733 4.470 0.038 0.000 0.238 497 S C -2.688 171.975 174.600 0.105 0.000 0.766 497 S CA -0.793 57.475 58.200 0.113 0.000 1.089 497 S CB -0.134 63.165 63.200 0.166 0.000 1.396 497 S HN 0.510 nan 8.310 nan 0.000 0.509 498 P HA -0.185 nan 4.420 nan 0.000 0.264 498 P C -0.429 176.941 177.300 0.116 0.000 1.113 498 P CA 1.076 64.223 63.100 0.078 0.000 0.756 498 P CB 0.288 32.017 31.700 0.047 0.000 0.674 499 Q N 1.022 120.900 119.800 0.131 0.000 2.373 499 Q HA 0.066 4.428 4.340 0.038 0.000 0.255 499 Q C 0.086 176.236 176.000 0.250 0.000 0.980 499 Q CA 0.337 56.254 55.803 0.189 0.000 0.882 499 Q CB 0.493 29.332 28.738 0.168 0.000 1.249 499 Q HN 0.501 nan 8.270 nan 0.000 0.438 500 W N 6.152 127.500 121.300 0.078 0.000 2.481 500 W HA 0.249 4.933 4.660 0.040 0.000 0.320 500 W C -2.395 174.259 176.519 0.226 0.000 1.209 500 W CA -2.408 54.995 57.345 0.096 0.000 1.400 500 W CB 0.205 29.659 29.460 -0.010 0.000 1.361 500 W HN 0.389 nan 8.180 nan 0.000 0.456 501 P HA 0.293 nan 4.420 nan 0.000 0.281 501 P C -2.636 174.845 177.300 0.302 0.000 1.249 501 P CA -1.849 61.468 63.100 0.362 0.000 0.810 501 P CB 0.810 32.636 31.700 0.209 0.000 1.008 502 P HA 0.052 nan 4.420 nan 0.000 0.268 502 P C -0.612 176.667 177.300 -0.035 0.000 1.205 502 P CA 0.176 63.058 63.100 -0.363 0.000 0.771 502 P CB 0.008 31.484 31.700 -0.372 0.000 0.858 503 Y N 3.069 123.310 120.300 -0.098 0.000 2.402 503 Y HA 0.316 4.889 4.550 0.037 0.000 0.333 503 Y C 0.513 176.404 175.900 -0.015 0.000 1.076 503 Y CA 0.650 58.762 58.100 0.020 0.000 1.299 503 Y CB 0.243 38.739 38.460 0.059 0.000 1.197 503 Y HN 0.407 nan 8.280 nan 0.000 0.517 504 T N 0.057 114.393 114.554 -0.364 0.000 2.916 504 T HA 0.268 4.641 4.350 0.038 0.000 0.292 504 T C 0.884 175.365 174.700 -0.364 0.000 1.064 504 T CA -0.194 61.774 62.100 -0.220 0.000 1.011 504 T CB 1.323 70.116 68.868 -0.125 0.000 1.152 504 T HN 0.620 nan 8.240 nan 0.000 0.510 505 T N -1.243 113.236 114.554 -0.126 0.000 2.904 505 T HA 0.115 4.488 4.350 0.038 0.000 0.267 505 T C 2.212 176.863 174.700 -0.081 0.000 1.059 505 T CA 0.772 62.830 62.100 -0.069 0.000 1.137 505 T CB -0.721 68.163 68.868 0.028 0.000 0.879 505 T HN 0.830 nan 8.240 nan 0.000 0.467 506 A N 1.978 124.753 122.820 -0.076 0.000 1.841 506 A HA 0.474 4.817 4.320 0.038 0.000 0.214 506 A C 2.725 180.265 177.584 -0.073 0.000 1.195 506 A CA 1.647 53.653 52.037 -0.053 0.000 0.611 506 A CB -1.309 17.670 19.000 -0.034 0.000 0.835 506 A HN 0.712 nan 8.150 nan 0.000 0.443 507 A N -2.370 120.384 122.820 -0.110 0.000 2.030 507 A HA 0.218 4.561 4.320 0.038 0.000 0.215 507 A C 1.051 178.555 177.584 -0.133 0.000 1.164 507 A CA 0.985 52.967 52.037 -0.091 0.000 0.697 507 A CB -0.289 18.672 19.000 -0.066 0.000 0.827 507 A HN 0.581 nan 8.150 nan 0.000 0.457 508 Q N -0.633 118.965 119.800 -0.336 0.000 2.475 508 Q HA -0.223 4.140 4.340 0.038 0.000 0.280 508 Q C -0.704 175.243 176.000 -0.087 0.000 1.234 508 Q CA 0.669 56.172 55.803 -0.501 0.000 0.873 508 Q CB -1.829 26.831 28.738 -0.131 0.000 1.256 508 Q HN 0.845 nan 8.270 nan 0.000 0.475 509 Q N 0.413 120.179 119.800 -0.058 0.000 2.314 509 Q HA 0.415 4.777 4.340 0.038 0.000 0.258 509 Q C -0.350 175.903 176.000 0.421 0.000 0.954 509 Q CA 0.160 56.051 55.803 0.146 0.000 0.890 509 Q CB 0.468 29.253 28.738 0.078 0.000 1.210 509 Q HN 0.334 nan 8.270 nan 0.000 0.410 510 Y N -1.135 119.295 120.300 0.218 0.000 2.644 510 Y HA 0.759 5.331 4.550 0.037 0.000 0.338 510 Y C -1.090 174.834 175.900 0.040 0.000 1.119 510 Y CA -1.551 56.688 58.100 0.232 0.000 1.060 510 Y CB 0.583 39.190 38.460 0.246 0.000 1.294 510 Y HN 0.344 nan 8.280 nan 0.000 0.472 511 V N -0.542 119.320 119.914 -0.087 0.000 2.960 511 V HA 0.854 4.997 4.120 0.038 0.000 0.315 511 V C -0.403 175.608 176.094 -0.138 0.000 1.087 511 V CA -0.605 61.477 62.300 -0.364 0.000 0.982 511 V CB 1.370 32.693 31.823 -0.833 0.000 1.039 511 V HN 1.215 nan 8.190 nan 0.000 0.437 512 S N 3.446 119.060 115.700 -0.144 0.000 2.457 512 S HA 0.710 5.203 4.470 0.038 0.000 0.289 512 S C -0.500 174.080 174.600 -0.033 0.000 1.163 512 S CA -0.660 57.532 58.200 -0.012 0.000 1.078 512 S CB 0.658 63.842 63.200 -0.025 0.000 0.987 512 S HN 0.774 nan 8.310 nan 0.000 0.482 513 L N 4.383 125.646 121.223 0.067 0.000 2.272 513 L HA 0.491 4.854 4.340 0.038 0.000 0.284 513 L C -0.172 176.683 176.870 -0.025 0.000 1.045 513 L CA -0.402 54.525 54.840 0.145 0.000 0.842 513 L CB -0.164 42.086 42.059 0.318 0.000 1.224 513 L HN 0.913 nan 8.230 nan 0.000 0.430 514 N N 2.205 120.822 118.700 -0.140 0.000 3.439 514 N HA 0.336 5.099 4.740 0.038 0.000 0.313 514 N C 0.184 175.201 175.510 -0.821 0.000 1.598 514 N CA -0.948 51.741 53.050 -0.602 0.000 0.830 514 N CB 0.634 38.908 38.487 -0.355 0.000 1.849 514 N HN 0.175 nan 8.380 nan 0.000 0.598 515 L N -0.833 119.898 121.223 -0.821 0.000 2.376 515 L HA 0.109 4.472 4.340 0.038 0.000 0.219 515 L C 0.490 177.190 176.870 -0.283 0.000 1.133 515 L CA 0.862 55.316 54.840 -0.644 0.000 0.816 515 L CB -0.454 41.298 42.059 -0.511 0.000 0.933 515 L HN 0.374 nan 8.230 nan 0.000 0.449 516 K N 0.224 120.500 120.400 -0.208 0.000 2.107 516 K HA 0.288 4.631 4.320 0.038 0.000 0.251 516 K C -2.175 174.397 176.600 -0.047 0.000 1.012 516 K CA -1.977 54.249 56.287 -0.102 0.000 0.920 516 K CB -0.032 32.416 32.500 -0.087 0.000 1.033 516 K HN -0.230 nan 8.250 nan 0.000 0.478 517 P HA -0.067 nan 4.420 nan 0.000 0.267 517 P C -0.320 176.989 177.300 0.015 0.000 1.201 517 P CA 0.063 63.179 63.100 0.027 0.000 0.775 517 P CB 0.358 32.071 31.700 0.022 0.000 0.854 518 L N 1.711 122.959 121.223 0.041 0.000 2.615 518 L HA -0.065 4.298 4.340 0.038 0.000 0.284 518 L C 1.115 177.949 176.870 -0.060 0.000 1.237 518 L CA 0.904 55.724 54.840 -0.033 0.000 0.905 518 L CB -0.183 41.843 42.059 -0.055 0.000 1.149 518 L HN 0.506 nan 8.230 nan 0.000 0.499 519 E N 2.781 122.918 120.200 -0.106 0.000 2.199 519 E HA 0.419 4.792 4.350 0.038 0.000 0.269 519 E C -1.401 175.096 176.600 -0.170 0.000 0.899 519 E CA -0.793 55.544 56.400 -0.107 0.000 0.772 519 E CB 2.028 31.673 29.700 -0.092 0.000 1.155 519 E HN 0.293 nan 8.360 nan 0.000 0.408 520 V N 4.915 124.741 119.914 -0.146 0.000 2.432 520 V HA 0.435 4.578 4.120 0.038 0.000 0.275 520 V C 0.215 176.168 176.094 -0.235 0.000 1.043 520 V CA -0.297 61.895 62.300 -0.181 0.000 0.925 520 V CB 1.049 32.824 31.823 -0.080 0.000 0.985 520 V HN 0.685 nan 8.190 nan 0.000 0.466 521 R N 3.813 124.049 120.500 -0.441 0.000 2.892 521 R HA 0.734 5.096 4.340 0.038 0.000 0.265 521 R C -0.844 175.266 176.300 -0.317 0.000 1.025 521 R CA -1.036 54.788 56.100 -0.460 0.000 0.982 521 R CB 2.477 32.329 30.300 -0.746 0.000 1.185 521 R HN 0.582 nan 8.270 nan 0.000 0.484 522 R N 0.114 120.596 120.500 -0.030 0.000 2.480 522 R HA 0.473 4.836 4.340 0.038 0.000 0.306 522 R C -0.734 175.746 176.300 0.299 0.000 0.958 522 R CA -0.477 55.706 56.100 0.138 0.000 0.861 522 R CB 2.136 32.471 30.300 0.060 0.000 1.171 522 R HN 0.903 nan 8.270 nan 0.000 0.445 523 G N 3.019 112.048 108.800 0.380 0.000 3.421 523 G HA2 -0.218 3.765 3.960 0.038 0.000 0.656 523 G HA3 -0.218 3.765 3.960 0.038 0.000 0.656 523 G C -0.568 174.499 174.900 0.277 0.000 1.007 523 G CA -0.904 44.371 45.100 0.291 0.000 0.811 523 G HN 0.529 nan 8.290 nan 0.000 0.433 524 L N 4.007 125.277 121.223 0.079 0.000 2.454 524 L HA 0.283 4.646 4.340 0.038 0.000 0.284 524 L C 1.456 178.337 176.870 0.018 0.000 1.139 524 L CA -0.802 53.937 54.840 -0.168 0.000 0.911 524 L CB 0.195 42.088 42.059 -0.277 0.000 1.262 524 L HN 0.710 nan 8.230 nan 0.000 0.453 525 R N 2.105 122.651 120.500 0.076 0.000 3.225 525 R HA -0.270 4.093 4.340 0.038 0.000 0.245 525 R C 1.173 177.564 176.300 0.152 0.000 0.928 525 R CA 0.640 56.820 56.100 0.133 0.000 0.632 525 R CB -1.990 28.400 30.300 0.150 0.000 1.038 525 R HN 0.830 nan 8.270 nan 0.000 0.461 526 A N 0.761 123.667 122.820 0.144 0.000 1.865 526 A HA -0.256 4.087 4.320 0.038 0.000 0.217 526 A C 2.075 179.751 177.584 0.152 0.000 1.191 526 A CA 1.355 53.478 52.037 0.143 0.000 0.623 526 A CB -0.121 18.957 19.000 0.129 0.000 0.826 526 A HN 0.424 nan 8.150 nan 0.000 0.444 527 Q N -0.698 119.189 119.800 0.144 0.000 2.050 527 Q HA -0.114 4.249 4.340 0.038 0.000 0.202 527 Q C 2.261 178.388 176.000 0.212 0.000 0.980 527 Q CA 2.079 57.972 55.803 0.150 0.000 0.840 527 Q CB -1.251 27.555 28.738 0.115 0.000 0.898 527 Q HN 0.659 nan 8.270 nan 0.000 0.424 528 T N 0.593 115.293 114.554 0.242 0.000 2.788 528 T HA -0.116 4.257 4.350 0.038 0.000 0.268 528 T C 1.998 176.937 174.700 0.399 0.000 1.044 528 T CA 1.177 63.469 62.100 0.320 0.000 1.139 528 T CB -0.245 68.832 68.868 0.348 0.000 0.867 528 T HN 0.321 nan 8.240 nan 0.000 0.454 529 c N 1.494 120.298 118.600 0.340 0.000 2.468 529 c HA 0.299 4.892 4.570 0.038 0.000 0.277 529 c C 3.088 177.344 174.090 0.276 0.000 1.400 529 c CA -0.108 56.428 56.329 0.345 0.000 1.770 529 c CB -1.389 41.257 42.510 0.226 0.000 1.905 529 c HN 0.634 nan 8.230 nan 0.000 0.519 530 A N 0.337 123.292 122.820 0.226 0.000 1.933 530 A HA -0.172 4.171 4.320 0.038 0.000 0.218 530 A C 1.836 179.538 177.584 0.197 0.000 1.175 530 A CA 1.485 53.633 52.037 0.184 0.000 0.628 530 A CB -0.756 18.338 19.000 0.155 0.000 0.814 530 A HN 0.525 nan 8.150 nan 0.000 0.444 531 F N -0.610 119.355 119.950 0.024 0.000 2.046 531 F HA -0.214 4.338 4.527 0.041 0.000 0.297 531 F C 2.008 177.776 175.800 -0.053 0.000 1.123 531 F CA 1.966 59.899 58.000 -0.112 0.000 1.199 531 F CB -0.721 37.960 39.000 -0.531 0.000 0.972 531 F HN 0.384 nan 8.300 nan 0.000 0.474 532 W N 0.579 121.845 121.300 -0.056 0.000 2.379 532 W HA -0.162 4.520 4.660 0.036 0.000 0.307 532 W C 2.268 178.730 176.519 -0.094 0.000 1.200 532 W CA 1.175 58.438 57.345 -0.136 0.000 1.297 532 W CB -0.680 28.829 29.460 0.082 0.000 1.140 532 W HN -0.007 nan 8.180 nan 0.000 0.507 533 N N -0.504 118.323 118.700 0.212 0.000 2.415 533 N HA 0.022 4.785 4.740 0.038 0.000 0.176 533 N C 1.470 177.021 175.510 0.067 0.000 1.042 533 N CA 0.936 54.060 53.050 0.124 0.000 0.902 533 N CB -0.164 38.395 38.487 0.120 0.000 0.986 533 N HN 0.259 nan 8.380 nan 0.000 0.447 534 R N -1.519 119.022 120.500 0.068 0.000 2.243 534 R HA 0.226 4.589 4.340 0.038 0.000 0.193 534 R C 1.356 177.688 176.300 0.053 0.000 0.933 534 R CA -0.051 56.087 56.100 0.064 0.000 1.105 534 R CB -0.152 30.208 30.300 0.100 0.000 1.169 534 R HN 0.042 nan 8.270 nan 0.000 0.599 535 F N 1.705 121.589 119.950 -0.110 0.000 2.147 535 F HA 0.118 4.668 4.527 0.039 0.000 0.291 535 F C 1.825 177.496 175.800 -0.215 0.000 1.093 535 F CA 1.024 58.942 58.000 -0.137 0.000 1.263 535 F CB -0.208 38.726 39.000 -0.110 0.000 1.036 535 F HN -0.159 nan 8.300 nan 0.000 0.481 536 L N 0.577 121.499 121.223 -0.502 0.000 2.043 536 L HA -0.193 4.170 4.340 0.038 0.000 0.212 536 L C -0.445 176.193 176.870 -0.388 0.000 1.075 536 L CA 1.615 56.113 54.840 -0.571 0.000 0.752 536 L CB -2.026 39.712 42.059 -0.536 0.000 0.891 536 L HN 0.140 nan 8.230 nan 0.000 0.432 537 P HA -0.211 nan 4.420 nan 0.000 0.216 537 P C 1.307 178.486 177.300 -0.200 0.000 1.153 537 P CA 1.529 64.531 63.100 -0.165 0.000 0.858 537 P CB 0.018 31.662 31.700 -0.095 0.000 0.789 538 K N -1.202 119.040 120.400 -0.262 0.000 2.148 538 K HA -0.099 4.244 4.320 0.038 0.000 0.204 538 K C 1.902 178.307 176.600 -0.324 0.000 1.050 538 K CA 0.795 56.932 56.287 -0.249 0.000 0.942 538 K CB -0.732 31.639 32.500 -0.214 0.000 0.724 538 K HN 0.051 nan 8.250 nan 0.000 0.446 539 L N 1.372 122.281 121.223 -0.523 0.000 2.201 539 L HA -0.061 4.302 4.340 0.038 0.000 0.212 539 L C 1.805 178.533 176.870 -0.237 0.000 1.105 539 L CA 1.186 55.762 54.840 -0.439 0.000 0.775 539 L CB -0.276 41.432 42.059 -0.586 0.000 0.913 539 L HN 0.174 nan 8.230 nan 0.000 0.440 540 L N -1.907 119.191 121.223 -0.207 0.000 2.023 540 L HA -0.141 4.222 4.340 0.038 0.000 0.205 540 L C 2.369 179.180 176.870 -0.100 0.000 1.073 540 L CA 1.597 56.361 54.840 -0.127 0.000 0.745 540 L CB -0.387 41.608 42.059 -0.108 0.000 0.900 540 L HN 0.164 nan 8.230 nan 0.000 0.435 541 S N 0.235 115.874 115.700 -0.103 0.000 2.370 541 S HA -0.155 4.338 4.470 0.038 0.000 0.226 541 S C 2.048 176.609 174.600 -0.065 0.000 1.033 541 S CA 1.271 59.426 58.200 -0.074 0.000 1.011 541 S CB -0.459 62.699 63.200 -0.069 0.000 0.852 541 S HN 0.679 nan 8.310 nan 0.000 0.457 542 A N 0.848 123.620 122.820 -0.080 0.000 1.930 542 A HA 0.081 4.424 4.320 0.038 0.000 0.217 542 A C 1.477 179.032 177.584 -0.048 0.000 1.175 542 A CA 1.544 53.546 52.037 -0.059 0.000 0.627 542 A CB -0.446 18.515 19.000 -0.064 0.000 0.815 542 A HN 0.603 nan 8.150 nan 0.000 0.443 543 T N 0.000 114.518 114.554 -0.060 0.000 3.816 543 T HA 0.000 4.373 4.350 0.038 0.000 0.228 543 T CA 0.000 62.073 62.100 -0.044 0.000 1.349 543 T CB 0.000 68.846 68.868 -0.037 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658