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 2oqe_1_E DATA FIRST_RESID 16 DATA SEQUENCE AAPARPAHPL DPLSTAEIKA ATNTVKSYFA GKKISFNTVT LREPARKAYI DATA SEQUENCE QWKEQGGPLP PRLAYYVILE AGKPGVKEGL VDLASLSVIE TRALETVQPI DATA SEQUENCE LTVEDLCSTE EVIRNDPAVI EQCVLSGIPA NEMHKVYCDP WTIGYDERWG DATA SEQUENCE TGKRLQQALV YYRSDEDDSQ YSHPLDFCPI VDTEEKKVIF IDIPNRRRKV DATA SEQUENCE SKHKHANFYP KHMIEKVGAM RPEAPPINVT QPEGVSFKMT GNVMEWSNFK DATA SEQUENCE FHIGFNYREG IVLSDVSYND HGNVRPIFHR ISLSEMIVPY GSPEFPHQRK DATA SEQUENCE HALDIGEYGA GYMTNPLSLG CDcKGVIHYL DAHFSDRAGD PITVKNAVcI DATA SEQUENCE HEEDDGLLFK HSDFRDNFAT SLVTRATKLV VSQIFTAANX EYCLYWVFMQ DATA SEQUENCE DGAIRLDIRL TGILNTYILG DDEEAGPWGT RVYPNVNAHN HQHLFSLRID DATA SEQUENCE PRIDGDGNSA AACDAKSSPY PLGSPENMYG NAFYSEKTTF KTVKDSLTNY DATA SEQUENCE ESATGRSWDI FNPNKVNPYS GKPPSYKLVS TQCPPLLAKE GSLVAKRAPW DATA SEQUENCE ASHSVNVVPY KDNRLYPSGD HVPQWSGDGV RGMREWIGDG SENIDNTDIL DATA SEQUENCE FFHTFGITHF PAPEDFPLMP AEPITLMLRP RHFFTENPGL DIQPSYAMTT DATA SEQUENCE SEAKRAV 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 16 A HA 0.000 nan 4.320 nan 0.000 0.244 16 A C 0.000 177.585 177.584 0.002 0.000 1.274 16 A CA 0.000 52.038 52.037 0.002 0.000 0.836 16 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 17 A N 4.325 127.147 122.820 0.004 0.000 2.488 17 A HA 0.660 4.978 4.320 -0.003 0.000 0.249 17 A C -1.518 176.067 177.584 0.003 0.000 1.083 17 A CA -0.719 51.321 52.037 0.005 0.000 0.768 17 A CB -0.464 18.541 19.000 0.008 0.000 1.017 17 A HN 0.655 nan 8.150 nan 0.000 0.496 18 P HA 0.347 nan 4.420 nan 0.000 0.271 18 P C -0.021 177.281 177.300 0.003 0.000 1.218 18 P CA -0.045 63.054 63.100 -0.001 0.000 0.780 18 P CB 0.764 32.461 31.700 -0.004 0.000 0.901 19 A N 3.964 126.786 122.820 0.003 0.000 2.483 19 A HA 0.101 4.420 4.320 -0.003 0.000 0.238 19 A C 0.603 178.194 177.584 0.012 0.000 1.070 19 A CA -0.120 51.922 52.037 0.008 0.000 0.770 19 A CB -0.209 18.796 19.000 0.009 0.000 1.008 19 A HN 0.512 nan 8.150 nan 0.000 0.497 20 R N 1.749 122.258 120.500 0.015 0.000 2.539 20 R HA 0.351 4.689 4.340 -0.003 0.000 0.275 20 R C -1.919 174.398 176.300 0.028 0.000 1.077 20 R CA -1.118 54.991 56.100 0.015 0.000 1.097 20 R CB 0.176 30.481 30.300 0.008 0.000 1.018 20 R HN 0.667 nan 8.270 nan 0.000 0.483 21 P HA 0.064 nan 4.420 nan 0.000 0.274 21 P C -0.193 177.157 177.300 0.084 0.000 1.256 21 P CA -0.252 62.887 63.100 0.065 0.000 0.795 21 P CB 0.717 32.465 31.700 0.080 0.000 1.038 22 A N -0.253 122.642 122.820 0.125 0.000 2.070 22 A HA -0.116 4.202 4.320 -0.003 0.000 0.220 22 A C 1.037 178.763 177.584 0.236 0.000 1.159 22 A CA 1.430 53.566 52.037 0.165 0.000 0.656 22 A CB -0.784 18.319 19.000 0.171 0.000 0.800 22 A HN 0.731 nan 8.150 nan 0.000 0.453 23 H N -2.618 116.505 119.070 0.088 0.000 3.086 23 H HA 0.269 4.823 4.556 -0.003 0.000 0.353 23 H C -2.834 172.444 175.328 -0.084 0.000 1.134 23 H CA -1.259 54.831 56.048 0.071 0.000 1.248 23 H CB 1.779 31.669 29.762 0.212 0.000 1.878 23 H HN -0.101 nan 8.280 nan 0.000 0.527 24 P HA -0.019 nan 4.420 nan 0.000 0.221 24 P C 1.224 178.513 177.300 -0.018 0.000 1.145 24 P CA 0.936 63.897 63.100 -0.232 0.000 0.795 24 P CB 0.344 31.732 31.700 -0.520 0.000 0.775 25 L N -1.860 119.439 121.223 0.126 0.000 2.607 25 L HA 0.152 4.491 4.340 -0.003 0.000 0.228 25 L C 0.235 177.044 176.870 -0.101 0.000 1.123 25 L CA -0.209 54.504 54.840 -0.212 0.000 0.890 25 L CB -0.439 41.209 42.059 -0.686 0.000 1.103 25 L HN -0.147 nan 8.230 nan 0.000 0.468 26 D N 1.687 122.166 120.400 0.131 0.000 2.455 26 D HA 0.129 4.768 4.640 -0.003 0.000 0.241 26 D C -2.012 174.392 176.300 0.173 0.000 1.138 26 D CA -1.093 53.058 54.000 0.251 0.000 0.877 26 D CB 0.656 41.589 40.800 0.222 0.000 1.187 26 D HN -0.078 nan 8.370 nan 0.000 0.451 27 P HA 0.025 nan 4.420 nan 0.000 0.270 27 P C -0.013 177.382 177.300 0.158 0.000 1.227 27 P CA -0.251 62.960 63.100 0.186 0.000 0.788 27 P CB 0.515 32.346 31.700 0.219 0.000 0.926 28 L N 0.613 121.928 121.223 0.154 0.000 2.490 28 L HA 0.066 4.404 4.340 -0.003 0.000 0.274 28 L C 1.253 178.179 176.870 0.092 0.000 1.201 28 L CA -0.007 54.900 54.840 0.112 0.000 0.869 28 L CB -0.127 41.999 42.059 0.112 0.000 1.123 28 L HN 0.493 nan 8.230 nan 0.000 0.484 29 S N 0.203 115.918 115.700 0.025 0.000 2.608 29 S HA 0.073 4.542 4.470 -0.003 0.000 0.261 29 S C 1.344 175.855 174.600 -0.149 0.000 1.314 29 S CA -0.178 57.972 58.200 -0.084 0.000 0.992 29 S CB 1.241 64.401 63.200 -0.067 0.000 0.935 29 S HN 0.788 nan 8.310 nan 0.000 0.564 30 T N -1.169 113.192 114.554 -0.322 0.000 2.759 30 T HA -0.120 4.228 4.350 -0.003 0.000 0.269 30 T C 1.935 176.565 174.700 -0.116 0.000 1.042 30 T CA 1.188 63.153 62.100 -0.225 0.000 1.140 30 T CB -1.084 67.625 68.868 -0.265 0.000 0.864 30 T HN 0.909 nan 8.240 nan 0.000 0.455 31 A N 1.637 124.396 122.820 -0.101 0.000 1.969 31 A HA -0.031 4.287 4.320 -0.003 0.000 0.218 31 A C 2.311 179.869 177.584 -0.043 0.000 1.169 31 A CA 1.481 53.480 52.037 -0.062 0.000 0.635 31 A CB -0.614 18.357 19.000 -0.049 0.000 0.810 31 A HN 0.659 nan 8.150 nan 0.000 0.445 32 E N -0.422 119.757 120.200 -0.034 0.000 2.107 32 E HA -0.100 4.248 4.350 -0.003 0.000 0.191 32 E C 1.816 178.408 176.600 -0.013 0.000 0.982 32 E CA 0.982 57.376 56.400 -0.011 0.000 0.809 32 E CB -0.218 29.489 29.700 0.011 0.000 0.756 32 E HN 0.695 nan 8.360 nan 0.000 0.459 33 I N 0.997 121.555 120.570 -0.021 0.000 2.179 33 I HA -0.271 3.898 4.170 -0.003 0.000 0.242 33 I C 2.428 178.493 176.117 -0.087 0.000 1.088 33 I CA 1.020 62.302 61.300 -0.030 0.000 1.357 33 I CB -0.079 37.916 38.000 -0.007 0.000 1.051 33 I HN -0.038 nan 8.210 nan 0.000 0.409 34 K N 1.406 121.756 120.400 -0.084 0.000 2.097 34 K HA -0.100 4.218 4.320 -0.003 0.000 0.206 34 K C 2.021 178.568 176.600 -0.088 0.000 1.049 34 K CA 1.587 57.813 56.287 -0.101 0.000 0.933 34 K CB -0.359 32.096 32.500 -0.074 0.000 0.717 34 K HN 0.289 nan 8.250 nan 0.000 0.442 35 A N 0.455 123.241 122.820 -0.056 0.000 1.902 35 A HA -0.062 4.257 4.320 -0.003 0.000 0.217 35 A C 2.364 179.926 177.584 -0.037 0.000 1.181 35 A CA 2.009 54.025 52.037 -0.035 0.000 0.623 35 A CB -1.050 17.940 19.000 -0.017 0.000 0.818 35 A HN 0.407 nan 8.150 nan 0.000 0.443 36 A N -0.279 122.516 122.820 -0.042 0.000 1.877 36 A HA -0.103 4.216 4.320 -0.003 0.000 0.216 36 A C 2.470 180.001 177.584 -0.089 0.000 1.186 36 A CA 2.590 54.608 52.037 -0.031 0.000 0.620 36 A CB -1.415 17.589 19.000 0.006 0.000 0.822 36 A HN 0.792 nan 8.150 nan 0.000 0.443 37 T N -2.164 112.257 114.554 -0.222 0.000 2.904 37 T HA -0.120 4.228 4.350 -0.003 0.000 0.267 37 T C 1.639 176.257 174.700 -0.137 0.000 1.059 37 T CA 1.380 63.212 62.100 -0.446 0.000 1.137 37 T CB -0.519 67.759 68.868 -0.984 0.000 0.879 37 T HN 0.354 nan 8.240 nan 0.000 0.467 38 N N 1.430 120.078 118.700 -0.087 0.000 2.084 38 N HA -0.053 4.685 4.740 -0.003 0.000 0.190 38 N C 2.074 177.604 175.510 0.033 0.000 1.030 38 N CA 1.822 54.865 53.050 -0.011 0.000 0.849 38 N CB -1.036 37.441 38.487 -0.018 0.000 1.012 38 N HN 0.478 nan 8.380 nan 0.000 0.423 39 T N 0.662 115.226 114.554 0.018 0.000 2.788 39 T HA -0.033 4.315 4.350 -0.003 0.000 0.268 39 T C 2.079 176.815 174.700 0.059 0.000 1.044 39 T CA 0.759 62.879 62.100 0.033 0.000 1.139 39 T CB -0.167 68.709 68.868 0.014 0.000 0.867 39 T HN -0.013 nan 8.240 nan 0.000 0.454 40 V N 1.159 121.107 119.914 0.057 0.000 2.488 40 V HA -0.070 4.048 4.120 -0.003 0.000 0.246 40 V C 2.431 178.699 176.094 0.289 0.000 1.046 40 V CA 1.300 63.653 62.300 0.088 0.000 1.053 40 V CB -0.382 31.392 31.823 -0.081 0.000 0.679 40 V HN 0.429 nan 8.190 nan 0.000 0.458 41 K N 0.146 120.716 120.400 0.283 0.000 2.097 41 K HA -0.138 4.180 4.320 -0.003 0.000 0.206 41 K C 2.397 179.102 176.600 0.175 0.000 1.049 41 K CA 1.715 58.149 56.287 0.245 0.000 0.933 41 K CB -0.261 32.365 32.500 0.210 0.000 0.717 41 K HN 0.385 nan 8.250 nan 0.000 0.442 42 S N 0.341 116.119 115.700 0.129 0.000 2.383 42 S HA -0.145 4.323 4.470 -0.003 0.000 0.227 42 S C 1.696 176.329 174.600 0.054 0.000 1.026 42 S CA 0.859 59.105 58.200 0.078 0.000 0.981 42 S CB -0.322 62.913 63.200 0.058 0.000 0.818 42 S HN 0.332 nan 8.310 nan 0.000 0.472 43 Y N 1.236 121.493 120.300 -0.072 0.000 2.181 43 Y HA -0.048 4.501 4.550 -0.003 0.000 0.288 43 Y C 0.688 176.373 175.900 -0.358 0.000 1.146 43 Y CA 1.271 59.225 58.100 -0.243 0.000 1.164 43 Y CB -0.167 38.079 38.460 -0.356 0.000 0.982 43 Y HN 0.178 nan 8.280 nan 0.000 0.515 44 F N 1.219 121.232 119.950 0.105 0.000 2.949 44 F HA 0.401 4.926 4.527 -0.003 0.000 0.291 44 F C 0.859 176.648 175.800 -0.018 0.000 1.214 44 F CA -0.366 57.645 58.000 0.019 0.000 1.381 44 F CB -0.915 38.112 39.000 0.045 0.000 1.066 44 F HN 0.014 nan 8.300 nan 0.000 0.520 45 A N 0.314 123.156 122.820 0.036 0.000 2.566 45 A HA 0.375 4.693 4.320 -0.003 0.000 0.245 45 A C 1.565 179.167 177.584 0.031 0.000 1.056 45 A CA 0.879 52.931 52.037 0.025 0.000 0.757 45 A CB -0.585 18.399 19.000 -0.026 0.000 0.979 45 A HN 1.145 nan 8.150 nan 0.000 0.508 46 G N 1.812 110.635 108.800 0.038 0.000 2.176 46 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.253 46 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.253 46 G C 0.216 175.139 174.900 0.038 0.000 0.979 46 G CA 0.592 45.709 45.100 0.029 0.000 0.641 46 G HN 0.796 nan 8.290 nan 0.000 0.530 47 K N 0.402 120.840 120.400 0.064 0.000 2.138 47 K HA 0.437 4.755 4.320 -0.003 0.000 0.263 47 K C -0.074 176.535 176.600 0.015 0.000 0.965 47 K CA -0.824 55.492 56.287 0.050 0.000 0.868 47 K CB 2.047 34.605 32.500 0.098 0.000 1.083 47 K HN 0.232 nan 8.250 nan 0.000 0.443 48 K N 4.444 124.835 120.400 -0.015 0.000 2.250 48 K HA 0.190 4.509 4.320 -0.003 0.000 0.285 48 K C -0.017 176.532 176.600 -0.086 0.000 1.097 48 K CA -0.284 55.984 56.287 -0.032 0.000 0.913 48 K CB -0.171 32.315 32.500 -0.024 0.000 1.179 48 K HN 0.622 nan 8.250 nan 0.000 0.462 49 I N 0.415 120.914 120.570 -0.118 0.000 2.750 49 I HA 0.583 4.751 4.170 -0.003 0.000 0.308 49 I C -0.674 175.311 176.117 -0.220 0.000 1.016 49 I CA -0.765 60.388 61.300 -0.245 0.000 1.098 49 I CB 2.197 39.945 38.000 -0.420 0.000 1.279 49 I HN 0.513 nan 8.210 nan 0.000 0.454 50 S N 3.319 118.850 115.700 -0.282 0.000 2.548 50 S HA 0.662 5.131 4.470 -0.003 0.000 0.286 50 S C -1.056 173.366 174.600 -0.297 0.000 1.098 50 S CA -0.638 57.457 58.200 -0.175 0.000 0.930 50 S CB 1.371 64.531 63.200 -0.067 0.000 1.070 50 S HN 0.510 nan 8.310 nan 0.000 0.480 51 F N 2.872 122.797 119.950 -0.041 0.000 2.411 51 F HA 0.459 4.985 4.527 -0.003 0.000 0.350 51 F C 1.748 177.532 175.800 -0.027 0.000 1.114 51 F CA -0.541 57.441 58.000 -0.031 0.000 1.135 51 F CB 1.276 40.265 39.000 -0.017 0.000 1.120 51 F HN 0.848 nan 8.300 nan 0.000 0.495 52 N N 1.056 119.814 118.700 0.098 0.000 2.436 52 N HA 0.018 4.756 4.740 -0.003 0.000 0.178 52 N C -0.383 175.187 175.510 0.100 0.000 1.026 52 N CA 0.720 53.809 53.050 0.064 0.000 0.880 52 N CB 0.599 39.097 38.487 0.019 0.000 1.061 52 N HN 0.542 nan 8.380 nan 0.000 0.434 53 T N 0.807 115.396 114.554 0.060 0.000 2.971 53 T HA 0.459 4.807 4.350 -0.003 0.000 0.304 53 T C -1.224 173.468 174.700 -0.014 0.000 1.038 53 T CA -0.490 61.557 62.100 -0.087 0.000 1.007 53 T CB 2.673 71.338 68.868 -0.338 0.000 1.055 53 T HN -0.147 nan 8.240 nan 0.000 0.451 54 V N 2.782 122.707 119.914 0.018 0.000 2.447 54 V HA 0.761 4.879 4.120 -0.003 0.000 0.292 54 V C -0.111 176.035 176.094 0.087 0.000 1.021 54 V CA -0.458 61.888 62.300 0.077 0.000 0.850 54 V CB 1.613 33.483 31.823 0.078 0.000 1.005 54 V HN 0.997 nan 8.190 nan 0.000 0.426 55 T N 4.109 118.733 114.554 0.117 0.000 2.864 55 T HA 0.599 4.947 4.350 -0.003 0.000 0.299 55 T C -1.111 173.718 174.700 0.215 0.000 1.166 55 T CA -0.554 61.655 62.100 0.181 0.000 1.007 55 T CB 1.588 70.562 68.868 0.178 0.000 1.219 55 T HN 0.542 nan 8.240 nan 0.000 0.506 56 L N 3.278 124.620 121.223 0.198 0.000 2.540 56 L HA 0.474 4.812 4.340 -0.003 0.000 0.276 56 L C 0.306 177.268 176.870 0.152 0.000 1.212 56 L CA 0.179 55.113 54.840 0.156 0.000 0.893 56 L CB 0.284 42.420 42.059 0.129 0.000 1.138 56 L HN 0.600 nan 8.230 nan 0.000 0.491 57 R N 4.707 125.284 120.500 0.129 0.000 2.205 57 R HA 0.267 4.605 4.340 -0.003 0.000 0.342 57 R C -0.487 175.837 176.300 0.040 0.000 1.058 57 R CA -0.053 56.095 56.100 0.080 0.000 0.904 57 R CB -0.085 30.268 30.300 0.089 0.000 1.089 57 R HN 0.738 nan 8.270 nan 0.000 0.471 58 E N 5.396 125.605 120.200 0.015 0.000 2.415 58 E HA 0.110 4.458 4.350 -0.003 0.000 0.262 58 E C -1.934 174.673 176.600 0.011 0.000 1.038 58 E CA -1.492 54.907 56.400 -0.002 0.000 0.921 58 E CB 0.233 29.914 29.700 -0.031 0.000 0.950 58 E HN 0.519 nan 8.360 nan 0.000 0.438 59 P HA -0.012 nan 4.420 nan 0.000 0.270 59 P C -0.953 176.396 177.300 0.082 0.000 1.223 59 P CA -0.105 63.024 63.100 0.049 0.000 0.785 59 P CB 0.439 32.185 31.700 0.075 0.000 0.923 60 A N 2.194 125.060 122.820 0.076 0.000 2.531 60 A HA -0.040 4.278 4.320 -0.003 0.000 0.236 60 A C 1.812 179.463 177.584 0.112 0.000 1.062 60 A CA 0.065 52.156 52.037 0.090 0.000 0.760 60 A CB -0.374 18.666 19.000 0.066 0.000 0.995 60 A HN 0.671 nan 8.150 nan 0.000 0.501 61 R N 1.373 121.922 120.500 0.083 0.000 2.096 61 R HA -0.185 4.153 4.340 -0.003 0.000 0.240 61 R C 1.771 178.029 176.300 -0.070 0.000 1.139 61 R CA 2.289 58.333 56.100 -0.094 0.000 0.952 61 R CB -0.227 29.820 30.300 -0.422 0.000 0.854 61 R HN 0.848 nan 8.270 nan 0.000 0.436 62 K N -0.391 119.985 120.400 -0.040 0.000 2.057 62 K HA -0.095 4.224 4.320 -0.003 0.000 0.207 62 K C 2.107 178.730 176.600 0.037 0.000 1.049 62 K CA 1.297 57.573 56.287 -0.019 0.000 0.931 62 K CB -0.132 32.362 32.500 -0.009 0.000 0.714 62 K HN 0.245 nan 8.250 nan 0.000 0.440 63 A N 0.791 123.651 122.820 0.067 0.000 1.902 63 A HA -0.219 4.100 4.320 -0.003 0.000 0.217 63 A C 2.070 179.731 177.584 0.129 0.000 1.181 63 A CA 1.374 53.460 52.037 0.082 0.000 0.623 63 A CB -0.804 18.237 19.000 0.068 0.000 0.818 63 A HN 0.416 nan 8.150 nan 0.000 0.443 64 Y N 0.442 120.790 120.300 0.080 0.000 2.114 64 Y HA -0.202 4.346 4.550 -0.003 0.000 0.284 64 Y C 2.053 178.097 175.900 0.240 0.000 1.143 64 Y CA 1.997 60.196 58.100 0.165 0.000 1.135 64 Y CB -0.280 38.292 38.460 0.186 0.000 0.980 64 Y HN 0.264 nan 8.280 nan 0.000 0.499 65 I N 0.078 120.743 120.570 0.159 0.000 2.286 65 I HA -0.344 3.824 4.170 -0.003 0.000 0.248 65 I C 2.369 178.466 176.117 -0.032 0.000 1.115 65 I CA 1.591 62.928 61.300 0.062 0.000 1.392 65 I CB -0.482 37.546 38.000 0.046 0.000 1.065 65 I HN 0.359 nan 8.210 nan 0.000 0.418 66 Q N -0.510 119.289 119.800 -0.001 0.000 2.119 66 Q HA -0.261 4.077 4.340 -0.003 0.000 0.201 66 Q C 2.010 177.997 176.000 -0.022 0.000 0.972 66 Q CA 1.937 57.733 55.803 -0.012 0.000 0.847 66 Q CB -0.286 28.460 28.738 0.014 0.000 0.903 66 Q HN 0.628 nan 8.270 nan 0.000 0.433 67 W N 2.029 123.211 121.300 -0.196 0.000 2.358 67 W HA -0.232 4.426 4.660 -0.003 0.000 0.303 67 W C 2.137 178.494 176.519 -0.270 0.000 1.208 67 W CA 1.747 58.955 57.345 -0.228 0.000 1.274 67 W CB 0.016 29.312 29.460 -0.272 0.000 1.138 67 W HN -0.084 nan 8.180 nan 0.000 0.515 68 K N 0.432 120.542 120.400 -0.483 0.000 2.103 68 K HA -0.107 4.211 4.320 -0.003 0.000 0.204 68 K C 1.616 177.946 176.600 -0.451 0.000 1.052 68 K CA 2.176 58.037 56.287 -0.709 0.000 0.945 68 K CB -0.203 32.030 32.500 -0.444 0.000 0.722 68 K HN 0.322 nan 8.250 nan 0.000 0.443 69 E N -1.212 118.825 120.200 -0.270 0.000 2.508 69 E HA 0.090 4.438 4.350 -0.003 0.000 0.217 69 E C 0.541 177.056 176.600 -0.142 0.000 0.896 69 E CA 0.055 56.354 56.400 -0.168 0.000 1.118 69 E CB 0.816 30.464 29.700 -0.087 0.000 1.133 69 E HN 0.249 nan 8.360 nan 0.000 0.526 70 Q N -0.186 119.527 119.800 -0.144 0.000 2.112 70 Q HA 0.211 4.550 4.340 -0.003 0.000 0.222 70 Q C 0.361 176.299 176.000 -0.104 0.000 0.798 70 Q CA 0.166 55.909 55.803 -0.100 0.000 1.060 70 Q CB 1.737 30.437 28.738 -0.063 0.000 1.184 70 Q HN 0.294 nan 8.270 nan 0.000 0.475 71 G N 0.891 109.594 108.800 -0.162 0.000 2.225 71 G HA2 -0.285 3.674 3.960 -0.003 0.000 0.267 71 G HA3 -0.285 3.674 3.960 -0.003 0.000 0.267 71 G C 0.437 175.291 174.900 -0.076 0.000 1.024 71 G CA 0.013 45.026 45.100 -0.145 0.000 0.784 71 G HN 0.490 nan 8.290 nan 0.000 0.507 72 G N -0.029 108.741 108.800 -0.050 0.000 2.634 72 G HA2 0.596 4.555 3.960 -0.003 0.000 0.255 72 G HA3 0.596 4.555 3.960 -0.003 0.000 0.255 72 G C -1.235 173.746 174.900 0.135 0.000 1.205 72 G CA -0.331 44.792 45.100 0.038 0.000 0.884 72 G HN 0.327 nan 8.290 nan 0.000 0.549 73 P HA 0.129 nan 4.420 nan 0.000 0.272 73 P C -0.313 177.098 177.300 0.184 0.000 1.223 73 P CA -0.635 62.548 63.100 0.138 0.000 0.784 73 P CB 0.997 32.738 31.700 0.068 0.000 0.923 74 L N 4.864 126.160 121.223 0.122 0.000 2.477 74 L HA 0.248 4.586 4.340 -0.003 0.000 0.272 74 L C -2.088 174.687 176.870 -0.158 0.000 1.157 74 L CA -1.492 53.260 54.840 -0.147 0.000 0.889 74 L CB -0.786 41.210 42.059 -0.105 0.000 1.158 74 L HN 0.280 nan 8.230 nan 0.000 0.473 75 P HA 0.150 nan 4.420 nan 0.000 0.268 75 P C -2.519 174.722 177.300 -0.099 0.000 1.208 75 P CA -0.718 62.309 63.100 -0.122 0.000 0.777 75 P CB -0.306 31.324 31.700 -0.116 0.000 0.875 76 P HA 0.179 nan 4.420 nan 0.000 0.268 76 P C -0.389 176.896 177.300 -0.024 0.000 1.205 76 P CA -0.100 62.985 63.100 -0.025 0.000 0.771 76 P CB 0.403 32.102 31.700 -0.003 0.000 0.858 77 R N 3.185 123.676 120.500 -0.016 0.000 2.210 77 R HA 0.381 4.719 4.340 -0.003 0.000 0.338 77 R C -0.899 175.416 176.300 0.026 0.000 1.062 77 R CA 0.157 56.256 56.100 -0.001 0.000 0.902 77 R CB -0.753 29.546 30.300 -0.001 0.000 1.050 77 R HN 0.441 nan 8.270 nan 0.000 0.461 78 L N 3.084 124.331 121.223 0.041 0.000 2.362 78 L HA 0.738 5.077 4.340 -0.003 0.000 0.271 78 L C -0.418 176.513 176.870 0.102 0.000 1.002 78 L CA -1.307 53.575 54.840 0.069 0.000 0.818 78 L CB 2.225 44.324 42.059 0.067 0.000 1.298 78 L HN 0.675 nan 8.230 nan 0.000 0.420 79 A N 2.068 124.967 122.820 0.132 0.000 2.303 79 A HA 0.537 4.855 4.320 -0.003 0.000 0.320 79 A C -1.433 176.301 177.584 0.250 0.000 1.192 79 A CA -0.368 51.774 52.037 0.176 0.000 0.821 79 A CB 0.789 19.879 19.000 0.151 0.000 1.188 79 A HN 0.595 nan 8.150 nan 0.000 0.492 80 Y N 3.558 123.923 120.300 0.109 0.000 2.313 80 Y HA 0.538 5.087 4.550 -0.003 0.000 0.332 80 Y C -0.683 175.294 175.900 0.129 0.000 1.071 80 Y CA -0.747 57.393 58.100 0.066 0.000 1.169 80 Y CB 0.572 39.052 38.460 0.035 0.000 1.192 80 Y HN 0.687 nan 8.280 nan 0.000 0.487 81 Y N 3.494 123.509 120.300 -0.474 0.000 2.536 81 Y HA 0.817 5.365 4.550 -0.003 0.000 0.347 81 Y C -1.952 173.576 175.900 -0.620 0.000 1.000 81 Y CA -1.704 56.150 58.100 -0.409 0.000 1.051 81 Y CB 1.101 39.542 38.460 -0.032 0.000 1.259 81 Y HN 0.334 nan 8.280 nan 0.000 0.468 82 V N 5.025 124.795 119.914 -0.241 0.000 2.588 82 V HA 0.569 4.687 4.120 -0.003 0.000 0.304 82 V C -0.205 175.864 176.094 -0.041 0.000 1.042 82 V CA -0.782 61.416 62.300 -0.168 0.000 0.877 82 V CB 1.381 33.136 31.823 -0.112 0.000 0.996 82 V HN 0.860 nan 8.190 nan 0.000 0.425 83 I N 2.246 122.750 120.570 -0.109 0.000 2.892 83 I HA 0.800 4.968 4.170 -0.003 0.000 0.306 83 I C -1.429 174.535 176.117 -0.255 0.000 1.078 83 I CA -1.094 60.035 61.300 -0.286 0.000 1.032 83 I CB 2.154 39.830 38.000 -0.540 0.000 1.229 83 I HN 0.309 nan 8.210 nan 0.000 0.435 84 L N 2.488 123.556 121.223 -0.259 0.000 2.334 84 L HA 0.571 4.909 4.340 -0.003 0.000 0.272 84 L C -0.192 176.534 176.870 -0.240 0.000 1.020 84 L CA -0.209 54.508 54.840 -0.205 0.000 0.812 84 L CB 1.537 43.514 42.059 -0.138 0.000 1.264 84 L HN 0.712 nan 8.230 nan 0.000 0.439 85 E N 0.993 121.078 120.200 -0.192 0.000 2.210 85 E HA 0.678 5.026 4.350 -0.003 0.000 0.266 85 E C -0.992 175.546 176.600 -0.104 0.000 0.883 85 E CA -1.066 55.232 56.400 -0.170 0.000 0.761 85 E CB 1.734 31.326 29.700 -0.180 0.000 1.156 85 E HN 0.725 nan 8.360 nan 0.000 0.412 86 A N 2.694 125.464 122.820 -0.082 0.000 2.546 86 A HA 0.386 4.704 4.320 -0.003 0.000 0.243 86 A C 1.217 178.777 177.584 -0.041 0.000 1.063 86 A CA 0.967 52.972 52.037 -0.053 0.000 0.757 86 A CB -0.522 18.454 19.000 -0.040 0.000 0.991 86 A HN 1.146 nan 8.150 nan 0.000 0.503 87 G N 1.598 110.379 108.800 -0.032 0.000 2.184 87 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.264 87 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.264 87 G C 0.212 175.099 174.900 -0.022 0.000 0.975 87 G CA 0.783 45.870 45.100 -0.022 0.000 0.642 87 G HN 0.759 nan 8.290 nan 0.000 0.536 88 K N 0.983 121.363 120.400 -0.034 0.000 2.221 88 K HA 0.510 4.828 4.320 -0.003 0.000 0.258 88 K C -2.325 174.254 176.600 -0.036 0.000 0.944 88 K CA -1.671 54.597 56.287 -0.033 0.000 0.823 88 K CB 2.576 35.049 32.500 -0.045 0.000 1.113 88 K HN 0.152 nan 8.250 nan 0.000 0.431 89 P HA 0.192 nan 4.420 nan 0.000 0.277 89 P C 0.563 177.842 177.300 -0.035 0.000 1.240 89 P CA 0.218 63.306 63.100 -0.020 0.000 0.798 89 P CB 0.824 32.523 31.700 -0.002 0.000 0.979 90 G N 0.825 109.601 108.800 -0.040 0.000 2.527 90 G HA2 -0.088 3.870 3.960 -0.003 0.000 0.268 90 G HA3 -0.088 3.870 3.960 -0.003 0.000 0.268 90 G C -0.318 174.520 174.900 -0.104 0.000 1.175 90 G CA 0.464 45.525 45.100 -0.065 0.000 0.962 90 G HN 1.000 nan 8.290 nan 0.000 0.560 91 V N -3.589 116.243 119.914 -0.136 0.000 3.181 91 V HA 0.937 5.056 4.120 -0.003 0.000 0.308 91 V C -0.555 175.454 176.094 -0.141 0.000 1.214 91 V CA -0.689 61.509 62.300 -0.170 0.000 1.053 91 V CB 1.930 33.598 31.823 -0.258 0.000 1.069 91 V HN 1.051 nan 8.190 nan 0.000 0.441 92 K N 1.139 121.451 120.400 -0.146 0.000 2.316 92 K HA 0.703 5.021 4.320 -0.003 0.000 0.251 92 K C -1.010 175.530 176.600 -0.100 0.000 0.934 92 K CA -0.567 55.670 56.287 -0.083 0.000 0.802 92 K CB 2.508 34.961 32.500 -0.079 0.000 1.171 92 K HN 1.013 nan 8.250 nan 0.000 0.426 93 E N 0.360 120.483 120.200 -0.127 0.000 2.410 93 E HA 0.812 5.161 4.350 -0.003 0.000 0.269 93 E C -0.370 175.887 176.600 -0.572 0.000 0.937 93 E CA -1.249 54.919 56.400 -0.387 0.000 0.793 93 E CB 2.235 31.866 29.700 -0.115 0.000 1.314 93 E HN 0.644 nan 8.360 nan 0.000 0.447 94 G N -0.005 108.163 108.800 -1.053 0.000 2.325 94 G HA2 0.378 4.337 3.960 -0.003 0.000 0.295 94 G HA3 0.378 4.337 3.960 -0.003 0.000 0.295 94 G C -1.839 172.807 174.900 -0.424 0.000 1.274 94 G CA -1.006 43.719 45.100 -0.625 0.000 0.857 94 G HN 0.412 nan 8.290 nan 0.000 0.499 95 L N -0.099 121.119 121.223 -0.009 0.000 2.381 95 L HA 0.733 5.071 4.340 -0.003 0.000 0.268 95 L C -0.527 176.471 176.870 0.212 0.000 0.997 95 L CA -1.191 53.738 54.840 0.147 0.000 0.818 95 L CB 2.296 44.418 42.059 0.107 0.000 1.310 95 L HN 0.351 nan 8.230 nan 0.000 0.416 96 V N 0.917 120.960 119.914 0.216 0.000 2.417 96 V HA 0.189 4.307 4.120 -0.003 0.000 0.291 96 V C -0.615 175.535 176.094 0.092 0.000 1.024 96 V CA -0.514 61.868 62.300 0.137 0.000 0.861 96 V CB 1.975 33.873 31.823 0.126 0.000 0.985 96 V HN 0.718 nan 8.190 nan 0.000 0.436 97 D N 3.482 123.918 120.400 0.060 0.000 2.325 97 D HA 0.270 4.908 4.640 -0.003 0.000 0.251 97 D C 0.923 177.245 176.300 0.038 0.000 1.196 97 D CA -0.112 53.915 54.000 0.045 0.000 0.866 97 D CB 1.089 41.910 40.800 0.034 0.000 1.101 97 D HN 0.436 nan 8.370 nan 0.000 0.476 98 L N 3.612 124.856 121.223 0.035 0.000 2.156 98 L HA -0.018 4.320 4.340 -0.003 0.000 0.208 98 L C 2.346 179.228 176.870 0.019 0.000 1.095 98 L CA 0.934 55.791 54.840 0.028 0.000 0.770 98 L CB -0.272 41.804 42.059 0.028 0.000 0.914 98 L HN 0.581 nan 8.230 nan 0.000 0.439 99 A N -0.119 122.711 122.820 0.017 0.000 1.898 99 A HA -0.183 4.135 4.320 -0.003 0.000 0.216 99 A C 2.369 179.962 177.584 0.015 0.000 1.181 99 A CA 1.940 53.985 52.037 0.013 0.000 0.620 99 A CB -0.513 18.493 19.000 0.011 0.000 0.819 99 A HN 0.482 nan 8.150 nan 0.000 0.442 100 S N -1.138 114.573 115.700 0.018 0.000 2.556 100 S HA 0.370 4.838 4.470 -0.003 0.000 0.216 100 S C 0.507 175.120 174.600 0.021 0.000 0.970 100 S CA 0.158 58.370 58.200 0.019 0.000 0.912 100 S CB -0.637 62.576 63.200 0.021 0.000 0.790 100 S HN 0.595 nan 8.310 nan 0.000 0.504 101 L N 2.113 123.349 121.223 0.021 0.000 3.879 101 L HA -0.183 4.156 4.340 -0.003 0.000 0.481 101 L C 0.071 176.958 176.870 0.028 0.000 1.232 101 L CA 0.499 55.353 54.840 0.022 0.000 0.736 101 L CB -2.381 39.688 42.059 0.018 0.000 1.511 101 L HN 0.677 nan 8.230 nan 0.000 0.830 102 S N -2.194 113.523 115.700 0.030 0.000 2.546 102 S HA 0.751 5.219 4.470 -0.003 0.000 0.274 102 S C -0.322 174.285 174.600 0.012 0.000 1.121 102 S CA -1.057 57.162 58.200 0.031 0.000 0.887 102 S CB 2.454 65.676 63.200 0.037 0.000 1.094 102 S HN 0.003 nan 8.310 nan 0.000 0.474 103 V N 3.438 123.329 119.914 -0.039 0.000 2.521 103 V HA 0.210 4.328 4.120 -0.003 0.000 0.286 103 V C 1.154 177.198 176.094 -0.083 0.000 1.034 103 V CA 0.067 62.289 62.300 -0.129 0.000 1.045 103 V CB 0.207 31.694 31.823 -0.560 0.000 0.974 103 V HN 0.928 nan 8.190 nan 0.000 0.480 104 I N 1.115 121.673 120.570 -0.020 0.000 4.181 104 I HA 0.548 4.716 4.170 -0.003 0.000 0.331 104 I C 0.552 176.671 176.117 0.004 0.000 1.312 104 I CA 0.248 61.549 61.300 0.003 0.000 1.146 104 I CB 0.568 38.583 38.000 0.025 0.000 1.074 104 I HN 0.616 nan 8.210 nan 0.000 0.402 105 E N 0.556 120.755 120.200 -0.003 0.000 2.335 105 E HA 0.492 4.840 4.350 -0.003 0.000 0.280 105 E C -1.384 175.212 176.600 -0.007 0.000 0.918 105 E CA -0.493 55.910 56.400 0.006 0.000 0.765 105 E CB 2.464 32.176 29.700 0.021 0.000 1.218 105 E HN 0.094 nan 8.360 nan 0.000 0.425 106 T N 2.411 116.972 114.554 0.011 0.000 2.889 106 T HA 0.708 5.056 4.350 -0.003 0.000 0.315 106 T C -1.974 172.766 174.700 0.067 0.000 1.291 106 T CA -0.670 61.456 62.100 0.043 0.000 1.028 106 T CB 1.000 69.910 68.868 0.071 0.000 1.235 106 T HN 0.639 nan 8.240 nan 0.000 0.491 107 R N 1.399 121.945 120.500 0.076 0.000 2.664 107 R HA 0.783 5.122 4.340 -0.003 0.000 0.260 107 R C -1.731 174.609 176.300 0.067 0.000 1.062 107 R CA -1.136 55.010 56.100 0.076 0.000 0.902 107 R CB 0.848 31.180 30.300 0.054 0.000 1.258 107 R HN 0.706 nan 8.270 nan 0.000 0.465 108 A N 3.330 126.189 122.820 0.065 0.000 2.305 108 A HA 0.682 5.000 4.320 -0.003 0.000 0.322 108 A C -0.634 176.957 177.584 0.012 0.000 1.187 108 A CA -0.867 51.191 52.037 0.035 0.000 0.825 108 A CB 0.745 19.775 19.000 0.050 0.000 1.164 108 A HN 0.606 nan 8.150 nan 0.000 0.498 109 L N 2.914 124.123 121.223 -0.023 0.000 2.401 109 L HA 0.326 4.664 4.340 -0.003 0.000 0.263 109 L C 0.678 177.525 176.870 -0.039 0.000 1.004 109 L CA -0.086 54.737 54.840 -0.028 0.000 0.881 109 L CB 1.333 43.361 42.059 -0.052 0.000 1.219 109 L HN 0.915 nan 8.230 nan 0.000 0.441 110 E N 0.421 120.614 120.200 -0.011 0.000 2.427 110 E HA -0.071 4.278 4.350 -0.003 0.000 0.196 110 E C 0.945 177.546 176.600 0.003 0.000 1.028 110 E CA 1.088 57.483 56.400 -0.008 0.000 0.864 110 E CB 0.366 30.070 29.700 0.007 0.000 0.813 110 E HN 0.675 nan 8.360 nan 0.000 0.514 111 T N -1.874 112.687 114.554 0.012 0.000 3.266 111 T HA 0.290 4.638 4.350 -0.003 0.000 0.278 111 T C 0.162 174.894 174.700 0.053 0.000 1.010 111 T CA -0.522 61.602 62.100 0.041 0.000 0.909 111 T CB -0.204 68.698 68.868 0.057 0.000 1.122 111 T HN -0.024 nan 8.240 nan 0.000 0.536 112 V N -2.233 117.688 119.914 0.012 0.000 3.113 112 V HA 0.838 4.956 4.120 -0.003 0.000 0.316 112 V C -1.456 174.631 176.094 -0.010 0.000 1.125 112 V CA -1.087 61.224 62.300 0.019 0.000 1.026 112 V CB 2.281 34.093 31.823 -0.020 0.000 1.080 112 V HN 0.155 nan 8.190 nan 0.000 0.444 113 Q N 1.776 121.595 119.800 0.030 0.000 2.375 113 Q HA 0.650 4.988 4.340 -0.003 0.000 0.271 113 Q C -2.822 173.198 176.000 0.034 0.000 1.074 113 Q CA -1.742 54.067 55.803 0.011 0.000 0.808 113 Q CB 2.807 31.573 28.738 0.046 0.000 1.327 113 Q HN 0.728 nan 8.270 nan 0.000 0.441 114 P HA 0.343 nan 4.420 nan 0.000 0.287 114 P C -0.024 177.329 177.300 0.088 0.000 1.296 114 P CA -0.812 62.355 63.100 0.111 0.000 0.811 114 P CB 1.272 33.008 31.700 0.060 0.000 1.211 115 I N 0.103 120.749 120.570 0.126 0.000 2.880 115 I HA -0.093 4.075 4.170 -0.003 0.000 0.296 115 I C 0.029 176.194 176.117 0.080 0.000 1.220 115 I CA 0.124 61.472 61.300 0.079 0.000 1.435 115 I CB 0.026 38.131 38.000 0.175 0.000 1.339 115 I HN 0.111 nan 8.210 nan 0.000 0.583 116 L N 7.540 128.780 121.223 0.029 0.000 2.281 116 L HA 0.250 4.589 4.340 -0.003 0.000 0.285 116 L C 0.632 177.563 176.870 0.103 0.000 1.074 116 L CA -0.439 54.445 54.840 0.073 0.000 0.817 116 L CB 0.914 43.040 42.059 0.111 0.000 1.168 116 L HN 0.661 nan 8.230 nan 0.000 0.434 117 T N -0.500 114.043 114.554 -0.018 0.000 2.816 117 T HA 0.218 4.566 4.350 -0.003 0.000 0.282 117 T C 1.377 176.002 174.700 -0.125 0.000 0.993 117 T CA -0.891 61.063 62.100 -0.244 0.000 0.994 117 T CB 1.485 70.114 68.868 -0.399 0.000 1.025 117 T HN 0.200 nan 8.240 nan 0.000 0.529 118 V N 1.233 121.038 119.914 -0.182 0.000 2.324 118 V HA -0.168 3.951 4.120 -0.003 0.000 0.250 118 V C 2.832 178.908 176.094 -0.029 0.000 1.060 118 V CA 2.175 64.443 62.300 -0.053 0.000 1.042 118 V CB -1.011 30.797 31.823 -0.026 0.000 0.650 118 V HN 0.936 nan 8.190 nan 0.000 0.450 119 E N 0.657 120.821 120.200 -0.061 0.000 2.007 119 E HA -0.261 4.087 4.350 -0.003 0.000 0.194 119 E C 1.819 178.416 176.600 -0.006 0.000 0.999 119 E CA 1.639 58.025 56.400 -0.024 0.000 0.811 119 E CB -0.319 29.363 29.700 -0.030 0.000 0.762 119 E HN 0.888 nan 8.360 nan 0.000 0.450 120 D N 0.105 120.497 120.400 -0.013 0.000 2.378 120 D HA -0.135 4.503 4.640 -0.003 0.000 0.222 120 D C 1.649 177.970 176.300 0.035 0.000 0.980 120 D CA 0.669 54.674 54.000 0.008 0.000 0.907 120 D CB -0.166 40.635 40.800 0.003 0.000 0.899 120 D HN 0.222 nan 8.370 nan 0.000 0.527 121 L N -0.681 120.569 121.223 0.045 0.000 2.269 121 L HA 0.073 4.411 4.340 -0.003 0.000 0.200 121 L C 1.956 178.865 176.870 0.066 0.000 1.069 121 L CA 0.175 55.059 54.840 0.074 0.000 0.804 121 L CB -0.274 41.840 42.059 0.091 0.000 0.987 121 L HN 0.121 nan 8.230 nan 0.000 0.468 122 C N 0.441 119.772 119.300 0.051 0.000 2.413 122 C HA -0.116 4.342 4.460 -0.003 0.000 0.292 122 C C 2.995 178.012 174.990 0.045 0.000 1.435 122 C CA 1.287 60.336 59.018 0.053 0.000 1.791 122 C CB -1.057 26.710 27.740 0.045 0.000 1.784 122 C HN 0.633 nan 8.230 nan 0.000 0.548 123 S N -0.744 114.979 115.700 0.038 0.000 2.461 123 S HA -0.103 4.365 4.470 -0.003 0.000 0.228 123 S C 1.478 176.098 174.600 0.032 0.000 1.005 123 S CA 1.455 59.672 58.200 0.029 0.000 0.942 123 S CB -0.647 62.566 63.200 0.022 0.000 0.776 123 S HN 0.616 nan 8.310 nan 0.000 0.514 124 T N 2.246 116.829 114.554 0.048 0.000 2.867 124 T HA -0.016 4.332 4.350 -0.003 0.000 0.268 124 T C 1.641 176.368 174.700 0.046 0.000 1.057 124 T CA 1.415 63.546 62.100 0.052 0.000 1.136 124 T CB -0.270 68.644 68.868 0.076 0.000 0.874 124 T HN 0.560 nan 8.240 nan 0.000 0.466 125 E N 0.611 120.838 120.200 0.044 0.000 2.077 125 E HA -0.151 4.198 4.350 -0.003 0.000 0.193 125 E C 2.320 178.918 176.600 -0.004 0.000 0.989 125 E CA 0.887 57.299 56.400 0.020 0.000 0.800 125 E CB 0.101 29.803 29.700 0.002 0.000 0.746 125 E HN 0.297 nan 8.360 nan 0.000 0.452 126 E N -0.063 120.135 120.200 -0.002 0.000 2.150 126 E HA -0.118 4.230 4.350 -0.003 0.000 0.193 126 E C 2.188 178.790 176.600 0.003 0.000 0.985 126 E CA 0.483 56.880 56.400 -0.006 0.000 0.814 126 E CB -0.000 29.697 29.700 -0.004 0.000 0.752 126 E HN 0.168 nan 8.360 nan 0.000 0.466 127 V N 2.190 122.111 119.914 0.011 0.000 2.261 127 V HA -0.264 3.855 4.120 -0.003 0.000 0.246 127 V C 2.568 178.672 176.094 0.017 0.000 1.047 127 V CA 2.005 64.312 62.300 0.012 0.000 1.015 127 V CB -0.723 31.109 31.823 0.014 0.000 0.642 127 V HN 0.335 nan 8.190 nan 0.000 0.446 128 I N -1.171 119.416 120.570 0.029 0.000 2.394 128 I HA -0.167 4.001 4.170 -0.003 0.000 0.251 128 I C 2.515 178.656 176.117 0.039 0.000 1.136 128 I CA 1.560 62.887 61.300 0.045 0.000 1.425 128 I CB -0.585 37.460 38.000 0.075 0.000 1.079 128 I HN 0.053 nan 8.210 nan 0.000 0.425 129 R N 1.150 121.662 120.500 0.020 0.000 2.193 129 R HA -0.020 4.318 4.340 -0.003 0.000 0.229 129 R C 1.274 177.582 176.300 0.014 0.000 1.110 129 R CA 1.269 57.376 56.100 0.013 0.000 0.988 129 R CB -0.389 29.903 30.300 -0.014 0.000 0.871 129 R HN 0.552 nan 8.270 nan 0.000 0.458 130 N N 0.429 119.135 118.700 0.009 0.000 2.205 130 N HA -0.040 4.698 4.740 -0.003 0.000 0.201 130 N C -0.635 174.876 175.510 0.001 0.000 1.128 130 N CA 0.142 53.195 53.050 0.005 0.000 0.867 130 N CB 0.508 38.996 38.487 0.002 0.000 0.996 130 N HN 0.162 nan 8.380 nan 0.000 0.503 131 D N 1.216 121.618 120.400 0.003 0.000 2.295 131 D HA 0.159 4.797 4.640 -0.003 0.000 0.248 131 D C -1.561 174.729 176.300 -0.018 0.000 1.154 131 D CA -1.891 52.105 54.000 -0.006 0.000 0.857 131 D CB 1.904 42.702 40.800 -0.002 0.000 1.117 131 D HN -0.096 nan 8.370 nan 0.000 0.468 132 P HA -0.195 nan 4.420 nan 0.000 0.216 132 P C 0.848 178.113 177.300 -0.058 0.000 1.153 132 P CA 1.353 64.432 63.100 -0.035 0.000 0.858 132 P CB 0.125 31.806 31.700 -0.031 0.000 0.789 133 A N -0.862 121.917 122.820 -0.069 0.000 1.930 133 A HA -0.124 4.194 4.320 -0.003 0.000 0.217 133 A C 2.321 179.813 177.584 -0.154 0.000 1.175 133 A CA 1.599 53.570 52.037 -0.110 0.000 0.627 133 A CB -1.592 17.340 19.000 -0.112 0.000 0.815 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.217 120.069 119.914 -0.104 0.000 2.358 134 V HA -0.247 3.871 4.120 -0.003 0.000 0.246 134 V C 2.401 178.433 176.094 -0.103 0.000 1.047 134 V CA 1.925 64.166 62.300 -0.098 0.000 1.035 134 V CB -0.694 31.157 31.823 0.045 0.000 0.658 134 V HN 0.571 nan 8.190 nan 0.000 0.452 135 I N 0.167 120.704 120.570 -0.054 0.000 2.208 135 I HA -0.300 3.868 4.170 -0.003 0.000 0.245 135 I C 2.607 178.677 176.117 -0.079 0.000 1.097 135 I CA 2.106 63.383 61.300 -0.037 0.000 1.363 135 I CB -0.395 37.593 38.000 -0.020 0.000 1.051 135 I HN 0.419 nan 8.210 nan 0.000 0.413 136 E N 0.555 120.688 120.200 -0.112 0.000 2.085 136 E HA -0.270 4.078 4.350 -0.003 0.000 0.194 136 E C 2.193 178.677 176.600 -0.194 0.000 0.994 136 E CA 1.167 57.490 56.400 -0.128 0.000 0.801 136 E CB 0.111 29.736 29.700 -0.125 0.000 0.743 136 E HN 0.430 nan 8.360 nan 0.000 0.453 137 Q N -0.073 119.525 119.800 -0.338 0.000 2.167 137 Q HA -0.117 4.221 4.340 -0.003 0.000 0.202 137 Q C 2.396 178.174 176.000 -0.372 0.000 0.970 137 Q CA 1.098 56.553 55.803 -0.581 0.000 0.855 137 Q CB -0.541 27.398 28.738 -1.332 0.000 0.911 137 Q HN 0.447 nan 8.270 nan 0.000 0.438 138 C N -0.188 119.018 119.300 -0.157 0.000 2.446 138 C HA -0.059 4.399 4.460 -0.003 0.000 0.277 138 C C 2.863 177.857 174.990 0.006 0.000 1.275 138 C CA 0.362 59.420 59.018 0.067 0.000 1.727 138 C CB -0.956 26.852 27.740 0.113 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.789 120.682 119.914 -0.036 0.000 2.287 139 V HA -0.202 3.917 4.120 -0.003 0.000 0.248 139 V C 2.401 178.471 176.094 -0.040 0.000 1.053 139 V CA 1.664 63.944 62.300 -0.034 0.000 1.027 139 V CB -0.672 31.128 31.823 -0.038 0.000 0.646 139 V HN 0.387 nan 8.190 nan 0.000 0.447 140 L N 0.201 121.386 121.223 -0.062 0.000 2.127 140 L HA -0.102 4.236 4.340 -0.003 0.000 0.211 140 L C 2.295 179.150 176.870 -0.024 0.000 1.089 140 L CA 1.792 56.600 54.840 -0.053 0.000 0.757 140 L CB -1.160 40.850 42.059 -0.082 0.000 0.899 140 L HN 0.310 nan 8.230 nan 0.000 0.434 141 S N -0.730 114.970 115.700 0.001 0.000 2.650 141 S HA 0.304 4.772 4.470 -0.003 0.000 0.219 141 S C 1.423 176.015 174.600 -0.014 0.000 0.960 141 S CA 0.601 58.822 58.200 0.036 0.000 0.925 141 S CB -0.017 63.275 63.200 0.153 0.000 0.775 141 S HN 0.618 nan 8.310 nan 0.000 0.525 142 G N 1.399 110.180 108.800 -0.032 0.000 2.141 142 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.231 142 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.231 142 G C -0.107 174.740 174.900 -0.087 0.000 0.984 142 G CA -0.391 44.674 45.100 -0.058 0.000 0.660 142 G HN 0.499 nan 8.290 nan 0.000 0.525 143 I N 1.644 122.174 120.570 -0.066 0.000 2.355 143 I HA 0.346 4.514 4.170 -0.003 0.000 0.288 143 I C -2.153 173.960 176.117 -0.005 0.000 0.999 143 I CA -2.543 58.722 61.300 -0.059 0.000 1.163 143 I CB 2.034 40.007 38.000 -0.045 0.000 1.316 143 I HN -0.172 nan 8.210 nan 0.000 0.454 144 P HA 0.021 nan 4.420 nan 0.000 0.267 144 P C 0.542 177.859 177.300 0.028 0.000 1.200 144 P CA -0.044 63.066 63.100 0.017 0.000 0.772 144 P CB 0.901 32.617 31.700 0.026 0.000 0.855 145 A N 3.374 126.207 122.820 0.021 0.000 2.024 145 A HA -0.213 4.106 4.320 -0.003 0.000 0.220 145 A C 1.541 179.150 177.584 0.043 0.000 1.164 145 A CA 1.857 53.909 52.037 0.024 0.000 0.643 145 A CB -1.191 17.815 19.000 0.010 0.000 0.806 145 A HN 0.713 nan 8.150 nan 0.000 0.451 146 N N -0.300 118.432 118.700 0.052 0.000 2.383 146 N HA -0.016 4.722 4.740 -0.003 0.000 0.192 146 N C 0.306 175.897 175.510 0.136 0.000 1.141 146 N CA 0.661 53.759 53.050 0.079 0.000 0.851 146 N CB -0.200 38.325 38.487 0.064 0.000 0.976 146 N HN 0.613 nan 8.380 nan 0.000 0.465 147 E N -0.249 120.009 120.200 0.098 0.000 2.685 147 E HA 0.225 4.574 4.350 -0.003 0.000 0.208 147 E C 0.738 177.309 176.600 -0.048 0.000 0.996 147 E CA -0.318 56.103 56.400 0.035 0.000 1.054 147 E CB 0.278 30.006 29.700 0.046 0.000 1.075 147 E HN 0.126 nan 8.360 nan 0.000 0.460 148 M N 0.813 120.437 119.600 0.040 0.000 2.358 148 M HA -0.125 4.354 4.480 -0.003 0.000 0.264 148 M C 2.007 178.286 176.300 -0.036 0.000 1.064 148 M CA 1.375 56.688 55.300 0.022 0.000 1.093 148 M CB -1.014 31.612 32.600 0.043 0.000 1.401 148 M HN 0.384 nan 8.290 nan 0.000 0.440 149 H N -0.699 118.353 119.070 -0.029 0.000 2.545 149 H HA -0.000 4.554 4.556 -0.003 0.000 0.282 149 H C 0.977 176.234 175.328 -0.117 0.000 1.020 149 H CA 0.789 56.780 56.048 -0.095 0.000 1.243 149 H CB -0.382 29.346 29.762 -0.057 0.000 1.377 149 H HN 0.372 nan 8.280 nan 0.000 0.581 150 K N 0.933 121.050 120.400 -0.471 0.000 2.367 150 K HA 0.203 4.521 4.320 -0.003 0.000 0.194 150 K C 0.087 176.705 176.600 0.030 0.000 1.027 150 K CA -0.059 56.079 56.287 -0.249 0.000 1.075 150 K CB 1.188 33.495 32.500 -0.322 0.000 0.845 150 K HN 0.014 nan 8.250 nan 0.000 0.529 151 V N 1.791 121.701 119.914 -0.006 0.000 2.465 151 V HA 0.230 4.348 4.120 -0.003 0.000 0.279 151 V C -0.627 175.438 176.094 -0.048 0.000 1.045 151 V CA -0.479 61.896 62.300 0.126 0.000 0.938 151 V CB 0.409 32.304 31.823 0.120 0.000 0.986 151 V HN 0.054 nan 8.190 nan 0.000 0.467 152 Y N 2.655 122.998 120.300 0.071 0.000 2.602 152 Y HA 0.731 5.279 4.550 -0.003 0.000 0.342 152 Y C 0.202 176.171 175.900 0.114 0.000 1.029 152 Y CA -0.742 57.398 58.100 0.068 0.000 1.080 152 Y CB 2.203 40.678 38.460 0.026 0.000 1.284 152 Y HN 0.841 nan 8.280 nan 0.000 0.485 153 C N -1.167 118.297 119.300 0.273 0.000 2.985 153 C HA 0.597 5.055 4.460 -0.003 0.000 0.314 153 C C -1.562 173.600 174.990 0.287 0.000 1.215 153 C CA -1.044 58.130 59.018 0.260 0.000 1.414 153 C CB 1.489 29.320 27.740 0.151 0.000 1.842 153 C HN 0.724 nan 8.230 nan 0.000 0.477 154 D N 4.181 124.802 120.400 0.369 0.000 2.347 154 D HA 0.358 4.997 4.640 -0.003 0.000 0.235 154 D C -2.079 174.487 176.300 0.443 0.000 1.149 154 D CA -1.380 52.867 54.000 0.412 0.000 0.850 154 D CB 1.529 42.684 40.800 0.592 0.000 1.061 154 D HN 0.518 nan 8.370 nan 0.000 0.487 155 P HA 0.077 nan 4.420 nan 0.000 0.225 155 P C -0.338 177.199 177.300 0.395 0.000 1.813 155 P CA -0.558 62.719 63.100 0.295 0.000 1.013 155 P CB -0.402 31.413 31.700 0.191 0.000 1.961 156 W N 0.728 122.106 121.300 0.131 0.000 2.123 156 W HA 0.140 4.798 4.660 -0.003 0.000 0.351 156 W C 1.590 178.234 176.519 0.210 0.000 1.292 156 W CA 0.254 57.730 57.345 0.217 0.000 1.263 156 W CB -0.358 29.192 29.460 0.150 0.000 1.165 156 W HN 0.039 nan 8.180 nan 0.000 0.590 157 T N 2.129 116.959 114.554 0.460 0.000 2.903 157 T HA -0.030 4.318 4.350 -0.003 0.000 0.314 157 T C 1.213 176.043 174.700 0.216 0.000 1.078 157 T CA -0.300 61.925 62.100 0.209 0.000 1.114 157 T CB 0.307 69.187 68.868 0.020 0.000 0.987 157 T HN 0.441 nan 8.240 nan 0.000 0.548 158 I N 2.491 123.132 120.570 0.118 0.000 2.700 158 I HA 0.053 4.222 4.170 -0.003 0.000 0.261 158 I C 1.702 177.858 176.117 0.065 0.000 1.219 158 I CA 1.529 62.876 61.300 0.077 0.000 1.463 158 I CB -0.773 37.251 38.000 0.039 0.000 1.092 158 I HN 1.100 nan 8.210 nan 0.000 0.452 159 G N 0.395 109.236 108.800 0.068 0.000 4.886 159 G HA2 -0.381 3.577 3.960 -0.003 0.000 0.305 159 G HA3 -0.381 3.577 3.960 -0.003 0.000 0.305 159 G C -0.028 174.978 174.900 0.176 0.000 1.483 159 G CA 0.470 45.573 45.100 0.005 0.000 1.029 159 G HN 0.423 nan 8.290 nan 0.000 0.746 160 Y N 1.930 122.266 120.300 0.061 0.000 2.436 160 Y HA 0.591 5.139 4.550 -0.003 0.000 0.327 160 Y C -2.121 173.835 175.900 0.094 0.000 1.138 160 Y CA -0.583 57.573 58.100 0.093 0.000 1.042 160 Y CB 2.157 40.668 38.460 0.085 0.000 1.302 160 Y HN 0.475 nan 8.280 nan 0.000 0.439 161 D N 5.354 125.371 120.400 -0.638 0.000 2.620 161 D HA 0.128 4.766 4.640 -0.003 0.000 0.252 161 D C 0.449 176.294 176.300 -0.757 0.000 1.207 161 D CA -0.262 53.468 54.000 -0.450 0.000 0.884 161 D CB 1.572 42.376 40.800 0.007 0.000 1.262 161 D HN 0.852 nan 8.370 nan 0.000 0.552 162 E N 3.646 123.472 120.200 -0.624 0.000 2.409 162 E HA -0.150 4.199 4.350 -0.003 0.000 0.198 162 E C 0.846 177.226 176.600 -0.366 0.000 1.024 162 E CA 0.474 56.637 56.400 -0.395 0.000 0.861 162 E CB 0.034 29.686 29.700 -0.079 0.000 0.788 162 E HN 0.460 nan 8.360 nan 0.000 0.521 163 R N -0.573 119.604 120.500 -0.540 0.000 2.189 163 R HA 0.024 4.362 4.340 -0.003 0.000 0.218 163 R C 1.317 177.016 176.300 -1.001 0.000 1.074 163 R CA 1.334 56.876 56.100 -0.930 0.000 0.991 163 R CB 0.040 29.383 30.300 -1.594 0.000 0.883 163 R HN 0.342 nan 8.270 nan 0.000 0.457 164 W N -0.810 120.378 121.300 -0.188 0.000 2.661 164 W HA 0.321 4.979 4.660 -0.003 0.000 0.288 164 W C 1.007 177.472 176.519 -0.091 0.000 1.014 164 W CA 0.434 57.705 57.345 -0.124 0.000 1.396 164 W CB -0.037 29.359 29.460 -0.107 0.000 0.963 164 W HN 0.223 nan 8.180 nan 0.000 0.584 165 G N 2.136 110.948 108.800 0.021 0.000 2.611 165 G HA2 -0.414 3.544 3.960 -0.003 0.000 0.301 165 G HA3 -0.414 3.544 3.960 -0.003 0.000 0.301 165 G C 0.724 175.731 174.900 0.179 0.000 1.233 165 G CA 2.040 47.215 45.100 0.125 0.000 0.993 165 G HN 0.135 nan 8.290 nan 0.000 0.553 166 T N -1.590 113.075 114.554 0.184 0.000 3.145 166 T HA 0.502 4.850 4.350 -0.003 0.000 0.255 166 T C 2.022 176.786 174.700 0.107 0.000 1.039 166 T CA 1.049 63.239 62.100 0.150 0.000 0.928 166 T CB 0.692 69.651 68.868 0.151 0.000 1.029 166 T HN 1.568 nan 8.240 nan 0.000 0.554 167 G N 1.666 110.538 108.800 0.120 0.000 2.443 167 G HA2 0.073 4.032 3.960 -0.003 0.000 0.219 167 G HA3 0.073 4.032 3.960 -0.003 0.000 0.219 167 G C 0.451 175.394 174.900 0.073 0.000 1.131 167 G CA 0.111 45.271 45.100 0.099 0.000 0.775 167 G HN 0.498 nan 8.290 nan 0.000 0.547 168 K N -0.782 119.656 120.400 0.063 0.000 2.443 168 K HA 0.428 4.746 4.320 -0.003 0.000 0.251 168 K C -0.925 175.671 176.600 -0.006 0.000 0.972 168 K CA -0.967 55.322 56.287 0.004 0.000 0.833 168 K CB 2.343 34.808 32.500 -0.060 0.000 1.317 168 K HN -0.043 nan 8.250 nan 0.000 0.441 169 R N 2.679 123.166 120.500 -0.022 0.000 2.216 169 R HA 0.320 4.658 4.340 -0.003 0.000 0.332 169 R C -1.037 175.240 176.300 -0.038 0.000 1.056 169 R CA -0.140 55.951 56.100 -0.016 0.000 0.901 169 R CB 0.154 30.445 30.300 -0.015 0.000 1.039 169 R HN 0.483 nan 8.270 nan 0.000 0.456 170 L N 3.774 124.979 121.223 -0.031 0.000 2.370 170 L HA 0.461 4.800 4.340 -0.003 0.000 0.266 170 L C -0.416 176.452 176.870 -0.005 0.000 1.002 170 L CA -0.949 53.854 54.840 -0.063 0.000 0.818 170 L CB 2.422 44.402 42.059 -0.131 0.000 1.325 170 L HN 0.598 nan 8.230 nan 0.000 0.418 171 Q N 1.540 121.340 119.800 0.000 0.000 2.387 171 Q HA 0.442 4.780 4.340 -0.003 0.000 0.273 171 Q C -1.337 174.691 176.000 0.047 0.000 1.089 171 Q CA -0.853 54.989 55.803 0.066 0.000 0.824 171 Q CB 2.952 31.748 28.738 0.097 0.000 1.367 171 Q HN 0.525 nan 8.270 nan 0.000 0.443 172 Q N -0.022 119.833 119.800 0.092 0.000 2.322 172 Q HA 0.741 5.079 4.340 -0.003 0.000 0.265 172 Q C -1.353 174.682 176.000 0.058 0.000 0.985 172 Q CA -0.930 54.898 55.803 0.042 0.000 0.849 172 Q CB 1.679 30.410 28.738 -0.012 0.000 1.274 172 Q HN 0.549 nan 8.270 nan 0.000 0.449 173 A N 5.390 128.231 122.820 0.035 0.000 2.294 173 A HA 0.400 4.719 4.320 -0.003 0.000 0.316 173 A C -0.218 177.343 177.584 -0.037 0.000 1.359 173 A CA -0.755 51.312 52.037 0.050 0.000 0.956 173 A CB 0.101 19.140 19.000 0.066 0.000 1.155 173 A HN 0.844 nan 8.150 nan 0.000 0.544 174 L N 3.757 124.946 121.223 -0.056 0.000 2.369 174 L HA 0.240 4.578 4.340 -0.003 0.000 0.279 174 L C -0.322 176.458 176.870 -0.150 0.000 1.108 174 L CA -0.368 54.371 54.840 -0.169 0.000 0.852 174 L CB 0.658 42.591 42.059 -0.210 0.000 1.169 174 L HN 0.364 nan 8.230 nan 0.000 0.452 175 V N 4.343 124.022 119.914 -0.392 0.000 2.481 175 V HA 0.425 4.544 4.120 -0.003 0.000 0.286 175 V C -0.504 175.263 176.094 -0.545 0.000 1.042 175 V CA -0.383 61.715 62.300 -0.337 0.000 0.928 175 V CB 1.384 32.932 31.823 -0.458 0.000 0.986 175 V HN 0.438 nan 8.190 nan 0.000 0.462 176 Y N 2.556 122.863 120.300 0.011 0.000 2.609 176 Y HA 0.595 5.143 4.550 -0.003 0.000 0.342 176 Y C -0.864 175.155 175.900 0.199 0.000 1.058 176 Y CA -0.926 57.208 58.100 0.057 0.000 1.055 176 Y CB 2.004 40.425 38.460 -0.065 0.000 1.292 176 Y HN 0.593 nan 8.280 nan 0.000 0.476 177 Y N 1.383 121.850 120.300 0.279 0.000 2.409 177 Y HA 0.693 5.241 4.550 -0.003 0.000 0.343 177 Y C -1.088 174.951 175.900 0.232 0.000 0.973 177 Y CA -1.373 56.870 58.100 0.238 0.000 1.064 177 Y CB 1.361 39.944 38.460 0.204 0.000 1.207 177 Y HN 0.550 nan 8.280 nan 0.000 0.452 178 R N 3.692 123.843 120.500 -0.580 0.000 2.437 178 R HA 0.324 4.663 4.340 -0.003 0.000 0.310 178 R C 0.479 176.109 176.300 -1.117 0.000 0.955 178 R CA -0.507 55.123 56.100 -0.783 0.000 0.851 178 R CB 1.855 31.781 30.300 -0.623 0.000 1.161 178 R HN 0.823 nan 8.270 nan 0.000 0.446 179 S N 1.052 116.124 115.700 -1.048 0.000 2.402 179 S HA -0.124 4.344 4.470 -0.003 0.000 0.229 179 S C 0.324 174.703 174.600 -0.367 0.000 1.021 179 S CA 1.187 59.063 58.200 -0.539 0.000 0.974 179 S CB -0.061 62.994 63.200 -0.242 0.000 0.800 179 S HN 0.662 nan 8.310 nan 0.000 0.484 180 D N -0.981 119.164 120.400 -0.426 0.000 2.756 180 D HA 0.194 4.832 4.640 -0.003 0.000 0.226 180 D C 0.614 176.753 176.300 -0.269 0.000 1.186 180 D CA -0.545 53.306 54.000 -0.250 0.000 0.845 180 D CB 1.089 41.775 40.800 -0.190 0.000 1.610 180 D HN 0.056 nan 8.370 nan 0.000 0.465 181 E N 1.090 121.201 120.200 -0.149 0.000 2.267 181 E HA -0.216 4.132 4.350 -0.003 0.000 0.197 181 E C 0.159 176.625 176.600 -0.223 0.000 0.998 181 E CA 1.044 57.363 56.400 -0.135 0.000 0.830 181 E CB 0.002 29.686 29.700 -0.026 0.000 0.751 181 E HN 0.366 nan 8.360 nan 0.000 0.491 182 D N 1.134 121.402 120.400 -0.220 0.000 2.340 182 D HA 0.032 4.670 4.640 -0.003 0.000 0.220 182 D C -0.247 175.892 176.300 -0.269 0.000 1.039 182 D CA 0.242 54.098 54.000 -0.240 0.000 0.866 182 D CB -0.105 40.571 40.800 -0.207 0.000 0.913 182 D HN 0.138 nan 8.370 nan 0.000 0.523 183 D N 0.120 120.299 120.400 -0.369 0.000 2.382 183 D HA -0.005 4.633 4.640 -0.003 0.000 0.240 183 D C 0.162 176.219 176.300 -0.406 0.000 1.146 183 D CA 0.289 53.998 54.000 -0.485 0.000 0.897 183 D CB 0.852 41.207 40.800 -0.742 0.000 1.197 183 D HN -0.203 nan 8.370 nan 0.000 0.432 184 S N 0.443 115.928 115.700 -0.357 0.000 2.439 184 S HA 0.025 4.494 4.470 -0.003 0.000 0.282 184 S C 1.222 175.780 174.600 -0.069 0.000 1.170 184 S CA -0.627 57.464 58.200 -0.182 0.000 1.054 184 S CB 0.469 63.609 63.200 -0.099 0.000 0.956 184 S HN 0.377 nan 8.310 nan 0.000 0.490 185 Q N 4.255 123.896 119.800 -0.265 0.000 2.369 185 Q HA -0.125 4.213 4.340 -0.003 0.000 0.206 185 Q C 0.320 176.223 176.000 -0.161 0.000 0.963 185 Q CA 1.399 57.047 55.803 -0.258 0.000 0.894 185 Q CB -0.429 27.992 28.738 -0.529 0.000 0.965 185 Q HN 0.896 nan 8.270 nan 0.000 0.475 186 Y N 1.930 122.232 120.300 0.004 0.000 2.571 186 Y HA -0.048 4.500 4.550 -0.003 0.000 0.294 186 Y C 2.518 178.634 175.900 0.360 0.000 1.141 186 Y CA 1.064 59.209 58.100 0.075 0.000 1.308 186 Y CB 0.132 38.628 38.460 0.060 0.000 1.002 186 Y HN 0.338 nan 8.280 nan 0.000 0.551 187 S N -1.657 114.316 115.700 0.455 0.000 2.522 187 S HA -0.067 4.402 4.470 -0.003 0.000 0.227 187 S C 0.208 174.875 174.600 0.111 0.000 0.986 187 S CA 0.518 58.937 58.200 0.366 0.000 0.929 187 S CB -0.419 62.914 63.200 0.221 0.000 0.769 187 S HN 0.459 nan 8.310 nan 0.000 0.529 188 H N 1.997 121.158 119.070 0.152 0.000 2.535 188 H HA 0.428 4.982 4.556 -0.002 0.000 0.232 188 H C -2.833 172.620 175.328 0.210 0.000 1.405 188 H CA -1.889 54.243 56.048 0.140 0.000 1.224 188 H CB 0.582 30.416 29.762 0.119 0.000 1.763 188 H HN 0.343 nan 8.280 nan 0.000 0.529 189 P HA 0.022 nan 4.420 nan 0.000 0.271 189 P C 0.052 177.199 177.300 -0.255 0.000 1.218 189 P CA -0.027 62.942 63.100 -0.219 0.000 0.780 189 P CB 1.733 33.281 31.700 -0.253 0.000 0.901 190 L N 1.998 122.999 121.223 -0.370 0.000 2.431 190 L HA 0.238 4.577 4.340 -0.003 0.000 0.260 190 L C 1.774 178.428 176.870 -0.360 0.000 1.098 190 L CA -0.445 54.191 54.840 -0.341 0.000 0.800 190 L CB 0.496 42.279 42.059 -0.459 0.000 1.210 190 L HN 0.384 nan 8.230 nan 0.000 0.465 191 D N -0.556 119.738 120.400 -0.177 0.000 2.348 191 D HA -0.021 4.617 4.640 -0.003 0.000 0.211 191 D C 0.091 176.524 176.300 0.222 0.000 0.998 191 D CA 0.227 54.236 54.000 0.014 0.000 0.873 191 D CB -0.023 40.819 40.800 0.070 0.000 0.925 191 D HN 0.256 nan 8.370 nan 0.000 0.524 192 F N -0.888 119.118 119.950 0.093 0.000 2.575 192 F HA 0.637 5.163 4.527 -0.003 0.000 0.330 192 F C -0.694 175.130 175.800 0.040 0.000 1.056 192 F CA -1.969 56.072 58.000 0.068 0.000 0.964 192 F CB 1.436 40.450 39.000 0.023 0.000 1.258 192 F HN -0.140 nan 8.300 nan 0.000 0.484 193 C N 3.670 123.104 119.300 0.223 0.000 2.654 193 C HA 0.584 5.043 4.460 -0.003 0.000 0.315 193 C C -2.819 172.274 174.990 0.172 0.000 1.054 193 C CA -2.037 57.030 59.018 0.081 0.000 1.419 193 C CB 0.038 27.770 27.740 -0.014 0.000 1.889 193 C HN 0.657 nan 8.230 nan 0.000 0.447 194 P HA 0.275 nan 4.420 nan 0.000 0.271 194 P C -0.627 176.723 177.300 0.084 0.000 1.216 194 P CA 0.042 63.232 63.100 0.149 0.000 0.776 194 P CB 0.400 32.190 31.700 0.150 0.000 0.881 195 I N 3.324 123.932 120.570 0.064 0.000 2.354 195 I HA 0.286 4.454 4.170 -0.003 0.000 0.292 195 I C -0.094 175.972 176.117 -0.085 0.000 0.989 195 I CA -0.669 60.607 61.300 -0.039 0.000 1.188 195 I CB 1.251 39.164 38.000 -0.144 0.000 1.342 195 I HN 0.034 nan 8.210 nan 0.000 0.457 196 V N 5.040 124.905 119.914 -0.081 0.000 2.495 196 V HA 0.272 4.390 4.120 -0.003 0.000 0.298 196 V C -0.037 176.001 176.094 -0.094 0.000 1.031 196 V CA -0.792 61.470 62.300 -0.063 0.000 0.871 196 V CB 2.267 34.086 31.823 -0.008 0.000 0.988 196 V HN 0.637 nan 8.190 nan 0.000 0.432 197 D N 3.243 123.583 120.400 -0.099 0.000 2.338 197 D HA 0.097 4.735 4.640 -0.003 0.000 0.255 197 D C 1.238 177.510 176.300 -0.047 0.000 1.237 197 D CA 0.161 54.105 54.000 -0.093 0.000 0.883 197 D CB 1.747 42.491 40.800 -0.094 0.000 1.087 197 D HN 0.613 nan 8.370 nan 0.000 0.485 198 T N 3.414 117.947 114.554 -0.035 0.000 2.720 198 T HA -0.150 4.199 4.350 -0.003 0.000 0.268 198 T C 1.357 176.048 174.700 -0.014 0.000 1.037 198 T CA 1.070 63.163 62.100 -0.012 0.000 1.144 198 T CB 0.243 69.110 68.868 -0.002 0.000 0.864 198 T HN 0.447 nan 8.240 nan 0.000 0.444 199 E N 0.528 120.714 120.200 -0.023 0.000 2.190 199 E HA 0.034 4.382 4.350 -0.003 0.000 0.191 199 E C 2.256 178.844 176.600 -0.021 0.000 0.978 199 E CA 0.539 56.925 56.400 -0.023 0.000 0.839 199 E CB -0.055 29.628 29.700 -0.029 0.000 0.787 199 E HN 0.421 nan 8.360 nan 0.000 0.473 200 E N 0.835 121.021 120.200 -0.024 0.000 2.371 200 E HA 0.003 4.352 4.350 -0.003 0.000 0.194 200 E C 0.010 176.600 176.600 -0.017 0.000 1.012 200 E CA 0.105 56.492 56.400 -0.021 0.000 0.860 200 E CB 0.061 29.747 29.700 -0.024 0.000 0.811 200 E HN 0.162 nan 8.360 nan 0.000 0.502 201 K N 0.837 121.227 120.400 -0.017 0.000 3.162 201 K HA -0.214 4.104 4.320 -0.003 0.000 0.268 201 K C -0.301 176.293 176.600 -0.011 0.000 1.062 201 K CA 0.788 57.069 56.287 -0.010 0.000 0.769 201 K CB -1.475 31.022 32.500 -0.005 0.000 1.274 201 K HN 0.257 nan 8.250 nan 0.000 0.478 202 K N -1.989 118.400 120.400 -0.019 0.000 2.502 202 K HA 0.511 4.830 4.320 -0.003 0.000 0.257 202 K C -0.400 176.183 176.600 -0.027 0.000 0.938 202 K CA -1.196 55.080 56.287 -0.019 0.000 0.819 202 K CB 1.905 34.394 32.500 -0.018 0.000 1.333 202 K HN -0.098 nan 8.250 nan 0.000 0.434 203 V N 4.160 124.063 119.914 -0.018 0.000 2.521 203 V HA 0.051 4.169 4.120 -0.003 0.000 0.286 203 V C 1.245 177.326 176.094 -0.022 0.000 1.034 203 V CA -0.086 62.203 62.300 -0.018 0.000 1.045 203 V CB 0.200 32.021 31.823 -0.003 0.000 0.974 203 V HN 0.880 nan 8.190 nan 0.000 0.480 204 I N 1.629 122.174 120.570 -0.042 0.000 3.854 204 I HA 0.524 4.692 4.170 -0.003 0.000 0.312 204 I C 0.178 176.386 176.117 0.151 0.000 1.273 204 I CA 0.568 61.861 61.300 -0.012 0.000 1.298 204 I CB 0.433 38.346 38.000 -0.146 0.000 1.071 204 I HN 0.453 nan 8.210 nan 0.000 0.428 205 F N 0.924 120.839 119.950 -0.058 0.000 2.744 205 F HA 0.630 5.156 4.527 -0.003 0.000 0.311 205 F C -1.913 173.917 175.800 0.050 0.000 1.144 205 F CA -1.049 56.980 58.000 0.049 0.000 0.938 205 F CB 1.778 40.887 39.000 0.181 0.000 1.292 205 F HN -0.246 nan 8.300 nan 0.000 0.444 206 I N 3.655 123.991 120.570 -0.390 0.000 2.468 206 I HA 0.261 4.429 4.170 -0.003 0.000 0.285 206 I C -1.299 174.782 176.117 -0.061 0.000 1.039 206 I CA -0.828 60.415 61.300 -0.094 0.000 1.074 206 I CB 1.706 39.630 38.000 -0.127 0.000 1.228 206 I HN 0.354 nan 8.210 nan 0.000 0.436 207 D N 7.587 128.162 120.400 0.291 0.000 2.371 207 D HA 0.379 5.017 4.640 -0.003 0.000 0.256 207 D C -0.260 176.182 176.300 0.237 0.000 1.193 207 D CA 0.547 54.764 54.000 0.363 0.000 0.881 207 D CB 1.343 42.365 40.800 0.371 0.000 1.143 207 D HN 0.301 nan 8.370 nan 0.000 0.473 208 I N 4.661 125.341 120.570 0.182 0.000 2.436 208 I HA 0.227 4.395 4.170 -0.003 0.000 0.289 208 I C -1.966 174.237 176.117 0.143 0.000 1.010 208 I CA -1.899 59.486 61.300 0.143 0.000 1.098 208 I CB 2.204 40.223 38.000 0.032 0.000 1.266 208 I HN 0.102 nan 8.210 nan 0.000 0.434 209 P HA 0.236 nan 4.420 nan 0.000 0.274 209 P C -0.189 177.169 177.300 0.097 0.000 1.231 209 P CA -0.363 62.824 63.100 0.145 0.000 0.790 209 P CB 0.979 32.794 31.700 0.192 0.000 0.951 210 N N 0.592 119.338 118.700 0.078 0.000 2.166 210 N HA -0.116 4.623 4.740 -0.003 0.000 0.186 210 N C 0.989 176.531 175.510 0.052 0.000 1.019 210 N CA 1.062 54.142 53.050 0.050 0.000 0.856 210 N CB -0.130 38.379 38.487 0.037 0.000 0.993 210 N HN 0.464 nan 8.380 nan 0.000 0.426 211 R N 1.853 122.395 120.500 0.071 0.000 2.215 211 R HA 0.144 4.483 4.340 -0.003 0.000 0.337 211 R C -0.701 175.642 176.300 0.072 0.000 1.010 211 R CA -0.556 55.582 56.100 0.065 0.000 0.871 211 R CB 0.504 30.848 30.300 0.074 0.000 1.134 211 R HN -0.135 nan 8.270 nan 0.000 0.477 212 R N 3.306 123.837 120.500 0.052 0.000 2.438 212 R HA 0.200 4.539 4.340 -0.003 0.000 0.287 212 R C -0.365 175.955 176.300 0.034 0.000 1.077 212 R CA -0.381 55.751 56.100 0.052 0.000 1.034 212 R CB 0.570 30.891 30.300 0.035 0.000 0.993 212 R HN 0.519 nan 8.270 nan 0.000 0.459 213 R N 1.626 122.143 120.500 0.028 0.000 2.435 213 R HA 0.290 4.629 4.340 -0.003 0.000 0.308 213 R C -0.287 176.004 176.300 -0.016 0.000 0.975 213 R CA -0.463 55.631 56.100 -0.011 0.000 0.867 213 R CB 1.754 32.023 30.300 -0.052 0.000 1.171 213 R HN 0.366 nan 8.270 nan 0.000 0.470 214 K N 0.861 121.251 120.400 -0.018 0.000 2.180 214 K HA 0.193 4.511 4.320 -0.003 0.000 0.251 214 K C 0.091 176.664 176.600 -0.045 0.000 1.014 214 K CA -0.585 55.689 56.287 -0.021 0.000 0.913 214 K CB 1.023 33.507 32.500 -0.026 0.000 1.008 214 K HN 0.207 nan 8.250 nan 0.000 0.490 215 V N 1.860 121.742 119.914 -0.054 0.000 2.720 215 V HA -0.092 4.026 4.120 -0.003 0.000 0.307 215 V C 0.310 176.380 176.094 -0.041 0.000 1.071 215 V CA 0.482 62.744 62.300 -0.064 0.000 1.199 215 V CB 1.200 32.931 31.823 -0.152 0.000 0.900 215 V HN 0.842 nan 8.190 nan 0.000 0.494 216 S N 5.825 121.503 115.700 -0.037 0.000 2.552 216 S HA 0.123 4.592 4.470 -0.003 0.000 0.289 216 S C 0.858 175.513 174.600 0.091 0.000 1.304 216 S CA -0.223 57.953 58.200 -0.040 0.000 1.063 216 S CB 0.434 63.470 63.200 -0.273 0.000 0.848 216 S HN 0.817 nan 8.310 nan 0.000 0.499 217 K N 2.817 123.219 120.400 0.002 0.000 2.374 217 K HA 0.123 4.441 4.320 -0.003 0.000 0.196 217 K C 0.424 177.036 176.600 0.020 0.000 1.023 217 K CA 0.129 56.418 56.287 0.004 0.000 1.103 217 K CB -0.190 32.253 32.500 -0.096 0.000 0.848 217 K HN 0.690 nan 8.250 nan 0.000 0.528 218 H N 1.709 120.871 119.070 0.153 0.000 2.745 218 H HA 0.102 4.657 4.556 -0.003 0.000 0.373 218 H C 0.344 175.876 175.328 0.340 0.000 1.226 218 H CA 0.372 56.524 56.048 0.173 0.000 1.435 218 H CB 0.694 30.491 29.762 0.059 0.000 1.461 218 H HN -0.151 nan 8.280 nan 0.000 0.616 219 K N 1.047 121.704 120.400 0.428 0.000 2.380 219 K HA 0.007 4.325 4.320 -0.003 0.000 0.267 219 K C -0.133 176.746 176.600 0.465 0.000 0.990 219 K CA -0.024 56.488 56.287 0.375 0.000 0.946 219 K CB 0.213 32.889 32.500 0.293 0.000 0.937 219 K HN 0.458 nan 8.250 nan 0.000 0.491 220 H N 0.112 119.297 119.070 0.193 0.000 2.790 220 H HA 0.105 4.659 4.556 -0.002 0.000 0.358 220 H C -0.181 175.135 175.328 -0.020 0.000 1.103 220 H CA 0.305 56.411 56.048 0.097 0.000 1.426 220 H CB 0.733 30.400 29.762 -0.157 0.000 1.424 220 H HN 0.637 nan 8.280 nan 0.000 0.599 221 A N 4.367 127.108 122.820 -0.132 0.000 2.506 221 A HA 0.215 4.533 4.320 -0.003 0.000 0.320 221 A C -0.061 177.363 177.584 -0.266 0.000 1.424 221 A CA -0.647 51.175 52.037 -0.357 0.000 1.044 221 A CB -0.504 18.018 19.000 -0.796 0.000 1.140 221 A HN 0.659 nan 8.150 nan 0.000 0.538 222 N N 0.777 119.336 118.700 -0.234 0.000 2.483 222 N HA 0.690 5.429 4.740 -0.003 0.000 0.285 222 N C -0.105 175.325 175.510 -0.133 0.000 1.210 222 N CA -0.419 52.380 53.050 -0.418 0.000 0.931 222 N CB 1.257 39.173 38.487 -0.950 0.000 1.220 222 N HN 0.599 nan 8.380 nan 0.000 0.542 223 F N -2.660 117.299 119.950 0.015 0.000 2.974 223 F HA 0.431 4.956 4.527 -0.003 0.000 0.357 223 F C -0.418 175.427 175.800 0.076 0.000 1.114 223 F CA -0.742 57.270 58.000 0.020 0.000 1.099 223 F CB -0.267 38.660 39.000 -0.122 0.000 1.205 223 F HN 0.201 nan 8.300 nan 0.000 0.535 224 Y N 2.652 123.080 120.300 0.213 0.000 2.314 224 Y HA 0.309 4.858 4.550 -0.003 0.000 0.334 224 Y C -1.111 174.814 175.900 0.041 0.000 1.266 224 Y CA -1.466 56.707 58.100 0.122 0.000 1.391 224 Y CB 0.285 38.712 38.460 -0.055 0.000 1.306 224 Y HN -0.241 nan 8.280 nan 0.000 0.558 225 P HA -0.278 nan 4.420 nan 0.000 0.216 225 P C 1.102 178.410 177.300 0.013 0.000 1.157 225 P CA 2.627 65.768 63.100 0.069 0.000 0.880 225 P CB 0.087 31.819 31.700 0.054 0.000 0.791 226 K N -0.803 119.548 120.400 -0.081 0.000 2.103 226 K HA -0.221 4.097 4.320 -0.003 0.000 0.207 226 K C 1.712 178.245 176.600 -0.112 0.000 1.048 226 K CA 1.791 57.988 56.287 -0.149 0.000 0.930 226 K CB -1.210 31.138 32.500 -0.254 0.000 0.716 226 K HN 0.275 nan 8.250 nan 0.000 0.444 227 H N -0.004 119.085 119.070 0.032 0.000 2.395 227 H HA 0.071 4.626 4.556 -0.003 0.000 0.299 227 H C 2.130 177.482 175.328 0.038 0.000 1.070 227 H CA 1.340 57.400 56.048 0.020 0.000 1.356 227 H CB 0.062 29.823 29.762 -0.001 0.000 1.401 227 H HN 0.087 nan 8.280 nan 0.000 0.524 228 M N 0.189 119.888 119.600 0.165 0.000 2.229 228 M HA -0.087 4.391 4.480 -0.003 0.000 0.264 228 M C 2.230 178.578 176.300 0.079 0.000 1.063 228 M CA 1.189 56.557 55.300 0.114 0.000 1.114 228 M CB -0.578 32.080 32.600 0.097 0.000 1.387 228 M HN 0.316 nan 8.290 nan 0.000 0.420 229 I N 0.146 120.752 120.570 0.060 0.000 2.226 229 I HA -0.264 3.905 4.170 -0.003 0.000 0.245 229 I C 2.358 178.504 176.117 0.049 0.000 1.100 229 I CA 1.040 62.365 61.300 0.042 0.000 1.374 229 I CB -0.330 37.684 38.000 0.023 0.000 1.057 229 I HN 0.246 nan 8.210 nan 0.000 0.413 230 E N 0.750 120.986 120.200 0.060 0.000 2.106 230 E HA -0.226 4.122 4.350 -0.003 0.000 0.192 230 E C 2.035 178.680 176.600 0.076 0.000 0.984 230 E CA 1.050 57.489 56.400 0.066 0.000 0.806 230 E CB -0.233 29.515 29.700 0.079 0.000 0.750 230 E HN 0.459 nan 8.360 nan 0.000 0.458 231 K N 0.845 121.298 120.400 0.089 0.000 2.031 231 K HA -0.072 4.246 4.320 -0.003 0.000 0.205 231 K C 1.908 178.553 176.600 0.076 0.000 1.049 231 K CA 1.520 57.862 56.287 0.092 0.000 0.939 231 K CB 0.328 32.890 32.500 0.105 0.000 0.717 231 K HN 0.130 nan 8.250 nan 0.000 0.438 232 V N -4.370 115.584 119.914 0.067 0.000 3.477 232 V HA 0.457 4.576 4.120 -0.003 0.000 0.297 232 V C 0.787 176.908 176.094 0.044 0.000 1.433 232 V CA 0.446 62.779 62.300 0.055 0.000 1.052 232 V CB 0.502 32.356 31.823 0.053 0.000 0.895 232 V HN 0.471 nan 8.190 nan 0.000 0.438 233 G N 0.035 108.861 108.800 0.044 0.000 2.345 233 G HA2 0.218 4.177 3.960 -0.003 0.000 0.218 233 G HA3 0.218 4.177 3.960 -0.003 0.000 0.218 233 G C 0.331 175.249 174.900 0.030 0.000 1.058 233 G CA -0.012 45.109 45.100 0.035 0.000 0.632 233 G HN 2.089 nan 8.290 nan 0.000 0.508 234 A N -0.096 122.743 122.820 0.030 0.000 2.599 234 A HA 0.716 5.034 4.320 -0.003 0.000 0.294 234 A C -0.363 177.237 177.584 0.027 0.000 1.055 234 A CA -0.137 51.915 52.037 0.025 0.000 0.683 234 A CB 0.684 19.696 19.000 0.020 0.000 1.278 234 A HN 0.585 nan 8.150 nan 0.000 0.412 235 M N 1.260 120.875 119.600 0.024 0.000 2.228 235 M HA 0.325 4.803 4.480 -0.003 0.000 0.326 235 M C 0.788 177.099 176.300 0.018 0.000 1.122 235 M CA 0.064 55.378 55.300 0.023 0.000 1.161 235 M CB 0.214 32.827 32.600 0.021 0.000 1.437 235 M HN 0.777 nan 8.290 nan 0.000 0.465 236 R N 1.049 121.558 120.500 0.015 0.000 2.679 236 R HA 0.237 4.576 4.340 -0.003 0.000 0.268 236 R C -2.029 174.276 176.300 0.009 0.000 1.044 236 R CA -1.248 54.859 56.100 0.011 0.000 1.105 236 R CB -0.672 29.633 30.300 0.009 0.000 0.989 236 R HN 0.385 nan 8.270 nan 0.000 0.447 237 P HA -0.041 nan 4.420 nan 0.000 0.268 237 P C -0.604 176.699 177.300 0.005 0.000 1.208 237 P CA -0.157 62.947 63.100 0.007 0.000 0.777 237 P CB 0.455 32.158 31.700 0.006 0.000 0.875 238 E N 1.314 121.517 120.200 0.005 0.000 2.480 238 E HA 0.266 4.614 4.350 -0.003 0.000 0.258 238 E C -0.254 176.347 176.600 0.002 0.000 0.984 238 E CA -0.014 56.388 56.400 0.004 0.000 0.930 238 E CB 0.007 29.710 29.700 0.004 0.000 0.936 238 E HN 0.483 nan 8.360 nan 0.000 0.466 239 A N 5.621 128.441 122.820 0.001 0.000 2.386 239 A HA 0.403 4.721 4.320 -0.003 0.000 0.248 239 A C -2.004 175.580 177.584 0.000 0.000 1.082 239 A CA -1.226 50.811 52.037 0.000 0.000 0.789 239 A CB -0.270 18.729 19.000 -0.002 0.000 1.025 239 A HN 0.629 nan 8.150 nan 0.000 0.490 240 P HA 0.248 nan 4.420 nan 0.000 0.266 240 P C -2.311 174.989 177.300 -0.000 0.000 1.195 240 P CA -0.596 62.504 63.100 0.000 0.000 0.768 240 P CB -0.236 31.464 31.700 0.000 0.000 0.838 241 P HA 0.243 nan 4.420 nan 0.000 0.274 241 P C -0.642 176.658 177.300 0.000 0.000 1.231 241 P CA 0.094 63.194 63.100 0.000 0.000 0.790 241 P CB 0.807 32.508 31.700 0.001 0.000 0.951 242 I N 2.699 123.269 120.570 -0.001 0.000 2.359 242 I HA 0.199 4.367 4.170 -0.003 0.000 0.284 242 I C 0.093 176.211 176.117 0.002 0.000 1.018 242 I CA -0.576 60.724 61.300 -0.000 0.000 1.173 242 I CB 0.635 38.633 38.000 -0.002 0.000 1.326 242 I HN 0.137 nan 8.210 nan 0.000 0.462 243 N N 6.313 125.015 118.700 0.003 0.000 2.426 243 N HA 0.305 5.043 4.740 -0.003 0.000 0.257 243 N C -0.682 174.833 175.510 0.009 0.000 1.002 243 N CA -0.264 52.790 53.050 0.005 0.000 0.942 243 N CB 2.378 40.868 38.487 0.006 0.000 1.112 243 N HN 0.188 nan 8.380 nan 0.000 0.499 244 V N 2.272 122.192 119.914 0.011 0.000 2.328 244 V HA 0.402 4.520 4.120 -0.003 0.000 0.278 244 V C 0.366 176.472 176.094 0.020 0.000 1.021 244 V CA -0.630 61.680 62.300 0.018 0.000 0.838 244 V CB 0.998 32.835 31.823 0.023 0.000 0.999 244 V HN 0.719 nan 8.190 nan 0.000 0.447 245 T N 1.983 116.550 114.554 0.021 0.000 2.885 245 T HA 0.641 4.990 4.350 -0.003 0.000 0.285 245 T C -0.516 174.199 174.700 0.025 0.000 1.019 245 T CA -0.815 61.297 62.100 0.020 0.000 1.010 245 T CB 2.131 71.008 68.868 0.014 0.000 1.022 245 T HN 0.535 nan 8.240 nan 0.000 0.466 246 Q N 1.764 121.578 119.800 0.023 0.000 2.965 246 Q HA 0.251 4.589 4.340 -0.003 0.000 0.288 246 Q C -1.808 174.197 176.000 0.009 0.000 0.974 246 Q CA -1.947 53.869 55.803 0.023 0.000 0.849 246 Q CB 1.321 30.078 28.738 0.032 0.000 1.280 246 Q HN 0.589 nan 8.270 nan 0.000 0.441 247 P HA -0.142 nan 4.420 nan 0.000 0.223 247 P C 0.088 177.387 177.300 -0.002 0.000 1.151 247 P CA 1.062 64.164 63.100 0.003 0.000 0.787 247 P CB 0.456 32.160 31.700 0.005 0.000 0.788 248 E N -0.377 119.821 120.200 -0.004 0.000 2.499 248 E HA 0.354 4.702 4.350 -0.003 0.000 0.199 248 E C 0.923 177.508 176.600 -0.024 0.000 1.016 248 E CA -0.029 56.365 56.400 -0.010 0.000 0.933 248 E CB 0.242 29.939 29.700 -0.005 0.000 1.050 248 E HN 0.163 nan 8.360 nan 0.000 0.462 249 G N 0.962 109.745 108.800 -0.029 0.000 2.542 249 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.235 249 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.235 249 G C -0.071 174.783 174.900 -0.077 0.000 1.286 249 G CA -0.342 44.721 45.100 -0.062 0.000 0.904 249 G HN 0.460 nan 8.290 nan 0.000 0.577 250 V N -3.157 116.656 119.914 -0.170 0.000 3.113 250 V HA 0.893 5.011 4.120 -0.003 0.000 0.316 250 V C 1.277 177.264 176.094 -0.179 0.000 1.125 250 V CA 0.814 62.984 62.300 -0.217 0.000 1.026 250 V CB 1.477 32.945 31.823 -0.591 0.000 1.080 250 V HN 2.255 nan 8.190 nan 0.000 0.444 251 S N 0.667 116.360 115.700 -0.012 0.000 2.517 251 S HA 0.232 4.701 4.470 -0.003 0.000 0.214 251 S C 0.538 175.246 174.600 0.180 0.000 0.991 251 S CA 0.007 58.260 58.200 0.088 0.000 0.906 251 S CB -0.652 62.650 63.200 0.170 0.000 0.789 251 S HN 1.047 nan 8.310 nan 0.000 0.513 252 F N 1.568 121.672 119.950 0.257 0.000 2.382 252 F HA 0.704 5.230 4.527 -0.003 0.000 0.331 252 F C -0.044 175.791 175.800 0.057 0.000 1.121 252 F CA -1.028 57.098 58.000 0.210 0.000 1.183 252 F CB 0.665 39.740 39.000 0.124 0.000 1.207 252 F HN -0.094 nan 8.300 nan 0.000 0.555 253 K N 4.332 124.881 120.400 0.249 0.000 2.426 253 K HA 0.400 4.718 4.320 -0.003 0.000 0.254 253 K C -1.440 175.197 176.600 0.062 0.000 0.936 253 K CA -0.864 55.481 56.287 0.097 0.000 0.801 253 K CB 1.289 33.808 32.500 0.033 0.000 1.139 253 K HN 0.736 nan 8.250 nan 0.000 0.424 254 M N 2.778 122.386 119.600 0.012 0.000 2.268 254 M HA 0.261 4.739 4.480 -0.003 0.000 0.344 254 M C -0.744 175.512 176.300 -0.074 0.000 1.106 254 M CA -0.413 54.808 55.300 -0.131 0.000 1.010 254 M CB 1.581 33.951 32.600 -0.384 0.000 1.649 254 M HN 0.517 nan 8.290 nan 0.000 0.443 255 T N 2.400 116.909 114.554 -0.076 0.000 2.912 255 T HA 0.560 4.908 4.350 -0.003 0.000 0.326 255 T C 0.815 175.511 174.700 -0.006 0.000 1.080 255 T CA 0.181 62.273 62.100 -0.013 0.000 1.000 255 T CB 1.108 69.984 68.868 0.013 0.000 1.008 255 T HN 1.017 nan 8.240 nan 0.000 0.473 256 G N 4.745 113.554 108.800 0.015 0.000 2.602 256 G HA2 -0.360 3.598 3.960 -0.003 0.000 0.310 256 G HA3 -0.360 3.598 3.960 -0.003 0.000 0.310 256 G C 0.748 175.611 174.900 -0.061 0.000 1.183 256 G CA 0.541 45.656 45.100 0.025 0.000 0.979 256 G HN 0.606 nan 8.290 nan 0.000 0.545 257 N N 0.175 118.802 118.700 -0.122 0.000 2.270 257 N HA 0.369 5.107 4.740 -0.003 0.000 0.198 257 N C 0.112 175.356 175.510 -0.443 0.000 1.117 257 N CA 0.491 53.344 53.050 -0.328 0.000 0.845 257 N CB 0.799 38.984 38.487 -0.503 0.000 0.980 257 N HN 0.435 nan 8.380 nan 0.000 0.486 258 V N 1.854 121.610 119.914 -0.263 0.000 2.432 258 V HA 0.299 4.417 4.120 -0.003 0.000 0.275 258 V C 0.048 175.947 176.094 -0.326 0.000 1.043 258 V CA -0.669 61.485 62.300 -0.243 0.000 0.925 258 V CB 1.139 32.943 31.823 -0.032 0.000 0.985 258 V HN 0.151 nan 8.190 nan 0.000 0.466 259 M N 5.310 124.571 119.600 -0.566 0.000 2.300 259 M HA 0.504 4.982 4.480 -0.003 0.000 0.348 259 M C -0.528 175.490 176.300 -0.470 0.000 1.151 259 M CA 0.044 54.951 55.300 -0.656 0.000 1.046 259 M CB 1.135 32.973 32.600 -1.269 0.000 1.647 259 M HN 0.655 nan 8.290 nan 0.000 0.451 260 E N 3.887 123.978 120.200 -0.182 0.000 2.218 260 E HA 0.495 4.843 4.350 -0.003 0.000 0.263 260 E C -2.160 174.545 176.600 0.175 0.000 0.879 260 E CA -0.276 56.113 56.400 -0.020 0.000 0.762 260 E CB 1.682 31.377 29.700 -0.009 0.000 1.166 260 E HN 0.761 nan 8.360 nan 0.000 0.415 261 W N 2.536 123.849 121.300 0.023 0.000 3.615 261 W HA 0.196 4.854 4.660 -0.003 0.000 0.319 261 W C -0.272 176.356 176.519 0.181 0.000 1.172 261 W CA -0.452 56.962 57.345 0.115 0.000 1.240 261 W CB 1.464 31.003 29.460 0.132 0.000 1.313 261 W HN 0.454 nan 8.180 nan 0.000 0.487 262 S N 4.395 119.661 115.700 -0.724 0.000 3.559 262 S HA -0.372 4.096 4.470 -0.003 0.000 0.369 262 S C 0.829 175.136 174.600 -0.487 0.000 0.987 262 S CA 2.314 60.027 58.200 -0.811 0.000 1.187 262 S CB -1.783 60.472 63.200 -1.575 0.000 0.914 262 S HN 1.068 nan 8.310 nan 0.000 0.480 263 N N -2.640 115.803 118.700 -0.429 0.000 2.967 263 N HA -0.195 4.543 4.740 -0.003 0.000 0.218 263 N C -0.194 174.980 175.510 -0.561 0.000 0.870 263 N CA 1.369 54.029 53.050 -0.650 0.000 1.030 263 N CB -1.232 36.509 38.487 -1.243 0.000 1.027 263 N HN 0.520 nan 8.380 nan 0.000 0.603 264 F N 1.561 121.448 119.950 -0.104 0.000 2.418 264 F HA 0.380 4.905 4.527 -0.003 0.000 0.341 264 F C 0.788 176.659 175.800 0.118 0.000 1.120 264 F CA 0.425 58.529 58.000 0.174 0.000 1.232 264 F CB 0.886 40.156 39.000 0.451 0.000 1.175 264 F HN -0.116 nan 8.300 nan 0.000 0.569 265 K N 3.832 124.478 120.400 0.409 0.000 2.513 265 K HA 0.613 4.932 4.320 -0.003 0.000 0.251 265 K C -1.784 175.012 176.600 0.327 0.000 0.939 265 K CA -0.519 55.880 56.287 0.186 0.000 0.793 265 K CB 1.501 34.066 32.500 0.109 0.000 1.241 265 K HN 0.513 nan 8.250 nan 0.000 0.431 266 F N -0.405 119.564 119.950 0.032 0.000 2.741 266 F HA 0.387 4.912 4.527 -0.003 0.000 0.311 266 F C -1.480 174.316 175.800 -0.007 0.000 1.149 266 F CA -1.169 56.848 58.000 0.030 0.000 0.930 266 F CB 0.939 39.926 39.000 -0.021 0.000 1.312 266 F HN 0.429 nan 8.300 nan 0.000 0.450 267 H N 2.507 121.633 119.070 0.092 0.000 2.467 267 H HA 0.566 5.120 4.556 -0.003 0.000 0.326 267 H C -1.138 174.187 175.328 -0.005 0.000 1.094 267 H CA -0.547 55.442 56.048 -0.098 0.000 1.253 267 H CB 1.457 31.089 29.762 -0.217 0.000 1.439 267 H HN 0.728 nan 8.280 nan 0.000 0.479 268 I N 5.226 125.500 120.570 -0.493 0.000 2.297 268 I HA 0.258 4.426 4.170 -0.003 0.000 0.291 268 I C 0.950 176.877 176.117 -0.317 0.000 1.033 268 I CA -0.333 60.820 61.300 -0.246 0.000 1.253 268 I CB 1.280 39.175 38.000 -0.175 0.000 1.396 268 I HN 0.538 nan 8.210 nan 0.000 0.476 269 G N 5.202 114.001 108.800 -0.001 0.000 2.667 269 G HA2 0.759 4.717 3.960 -0.003 0.000 0.310 269 G HA3 0.759 4.717 3.960 -0.003 0.000 0.310 269 G C -1.640 173.392 174.900 0.220 0.000 1.259 269 G CA -0.399 44.794 45.100 0.155 0.000 1.019 269 G HN 0.383 nan 8.290 nan 0.000 0.496 270 F N 0.517 120.497 119.950 0.050 0.000 2.654 270 F HA 0.466 4.991 4.527 -0.003 0.000 0.314 270 F C -1.042 174.831 175.800 0.122 0.000 1.116 270 F CA -0.867 57.171 58.000 0.063 0.000 1.017 270 F CB 2.133 41.166 39.000 0.055 0.000 1.285 270 F HN 0.822 nan 8.300 nan 0.000 0.448 271 N N 1.987 120.533 118.700 -0.257 0.000 2.647 271 N HA 0.245 4.983 4.740 -0.003 0.000 0.266 271 N C 0.143 175.535 175.510 -0.196 0.000 1.373 271 N CA -0.525 52.534 53.050 0.015 0.000 0.807 271 N CB 0.364 38.913 38.487 0.104 0.000 1.513 271 N HN 0.507 nan 8.380 nan 0.000 0.505 272 Y N -1.219 118.944 120.300 -0.229 0.000 2.298 272 Y HA 0.029 4.577 4.550 -0.003 0.000 0.287 272 Y C 2.040 177.467 175.900 -0.789 0.000 1.164 272 Y CA 1.420 59.006 58.100 -0.857 0.000 1.229 272 Y CB -0.329 37.303 38.460 -1.379 0.000 0.977 272 Y HN 0.662 nan 8.280 nan 0.000 0.538 273 R N 0.195 119.892 120.500 -1.338 0.000 2.098 273 R HA 0.114 4.452 4.340 -0.003 0.000 0.203 273 R C 1.929 177.799 176.300 -0.716 0.000 1.166 273 R CA 0.863 56.214 56.100 -1.247 0.000 1.090 273 R CB 0.051 29.350 30.300 -1.668 0.000 0.992 273 R HN 0.363 nan 8.270 nan 0.000 0.477 274 E N -0.103 119.778 120.200 -0.533 0.000 2.371 274 E HA 0.137 4.485 4.350 -0.003 0.000 0.194 274 E C 0.835 177.227 176.600 -0.347 0.000 1.012 274 E CA 0.421 56.635 56.400 -0.309 0.000 0.860 274 E CB 0.435 30.047 29.700 -0.146 0.000 0.811 274 E HN 0.559 nan 8.360 nan 0.000 0.502 275 G N 1.891 110.318 108.800 -0.621 0.000 2.536 275 G HA2 -0.347 3.612 3.960 -0.003 0.000 0.280 275 G HA3 -0.347 3.612 3.960 -0.003 0.000 0.280 275 G C 0.099 174.539 174.900 -0.766 0.000 1.152 275 G CA -0.137 44.399 45.100 -0.940 0.000 0.970 275 G HN 0.194 nan 8.290 nan 0.000 0.549 276 I N 1.163 121.653 120.570 -0.134 0.000 2.618 276 I HA 0.343 4.512 4.170 -0.003 0.000 0.284 276 I C 0.332 176.337 176.117 -0.185 0.000 1.146 276 I CA 0.065 61.391 61.300 0.043 0.000 1.425 276 I CB 0.889 38.971 38.000 0.136 0.000 1.383 276 I HN 0.335 nan 8.210 nan 0.000 0.562 277 V N 7.925 127.738 119.914 -0.169 0.000 2.443 277 V HA 0.367 4.486 4.120 -0.003 0.000 0.293 277 V C -0.110 175.850 176.094 -0.222 0.000 1.021 277 V CA -0.585 61.573 62.300 -0.236 0.000 0.848 277 V CB 1.639 33.380 31.823 -0.136 0.000 0.998 277 V HN 0.441 nan 8.190 nan 0.000 0.424 278 L N 4.129 125.132 121.223 -0.366 0.000 2.264 278 L HA 0.656 4.994 4.340 -0.003 0.000 0.289 278 L C 0.200 176.978 176.870 -0.155 0.000 1.044 278 L CA 0.147 54.850 54.840 -0.229 0.000 0.807 278 L CB 1.577 43.402 42.059 -0.390 0.000 1.192 278 L HN 0.612 nan 8.230 nan 0.000 0.425 279 S N 0.848 116.536 115.700 -0.020 0.000 2.599 279 S HA 0.314 4.783 4.470 -0.003 0.000 0.294 279 S C -0.456 174.160 174.600 0.027 0.000 1.094 279 S CA -0.531 57.595 58.200 -0.124 0.000 0.931 279 S CB 1.761 64.801 63.200 -0.266 0.000 1.093 279 S HN 0.765 nan 8.310 nan 0.000 0.488 280 D N 1.000 121.379 120.400 -0.035 0.000 2.697 280 D HA -0.148 4.491 4.640 -0.003 0.000 0.238 280 D C -0.707 175.752 176.300 0.265 0.000 1.152 280 D CA 0.359 54.467 54.000 0.180 0.000 0.666 280 D CB -1.255 39.725 40.800 0.300 0.000 1.037 280 D HN 0.223 nan 8.370 nan 0.000 0.423 281 V N 1.209 121.271 119.914 0.246 0.000 2.432 281 V HA 0.568 4.687 4.120 -0.003 0.000 0.271 281 V C 0.934 177.188 176.094 0.267 0.000 1.046 281 V CA 0.297 62.787 62.300 0.316 0.000 0.945 281 V CB 1.379 33.372 31.823 0.283 0.000 0.992 281 V HN 0.495 nan 8.190 nan 0.000 0.471 282 S N 4.472 120.377 115.700 0.341 0.000 2.632 282 S HA 0.778 5.246 4.470 -0.003 0.000 0.289 282 S C -1.320 173.491 174.600 0.351 0.000 1.115 282 S CA -0.799 57.568 58.200 0.278 0.000 0.889 282 S CB 2.039 65.363 63.200 0.208 0.000 1.116 282 S HN 0.583 nan 8.310 nan 0.000 0.486 283 Y N 1.563 121.951 120.300 0.148 0.000 2.361 283 Y HA 0.512 5.061 4.550 -0.003 0.000 0.337 283 Y C -0.555 175.389 175.900 0.074 0.000 0.965 283 Y CA -0.724 57.405 58.100 0.050 0.000 1.091 283 Y CB 1.603 40.093 38.460 0.049 0.000 1.182 283 Y HN 0.849 nan 8.280 nan 0.000 0.450 284 N N 4.817 123.282 118.700 -0.392 0.000 2.482 284 N HA 0.026 4.764 4.740 -0.003 0.000 0.242 284 N C -1.211 174.197 175.510 -0.171 0.000 1.100 284 N CA 0.052 52.976 53.050 -0.211 0.000 0.946 284 N CB 0.236 38.578 38.487 -0.241 0.000 1.227 284 N HN 0.655 nan 8.380 nan 0.000 0.508 285 D N 2.979 123.470 120.400 0.152 0.000 2.517 285 D HA 0.056 4.695 4.640 -0.003 0.000 0.220 285 D C -0.215 176.141 176.300 0.092 0.000 1.158 285 D CA 0.036 54.175 54.000 0.233 0.000 0.992 285 D CB -0.488 40.544 40.800 0.387 0.000 1.058 285 D HN 0.445 nan 8.370 nan 0.000 0.516 286 H N 2.169 121.286 119.070 0.078 0.000 2.626 286 H HA -0.209 4.345 4.556 -0.003 0.000 0.317 286 H C 1.371 176.707 175.328 0.015 0.000 1.140 286 H CA 1.235 57.300 56.048 0.027 0.000 1.134 286 H CB -1.276 28.505 29.762 0.031 0.000 1.486 286 H HN 0.727 nan 8.280 nan 0.000 0.417 287 G N -0.295 108.541 108.800 0.060 0.000 2.254 287 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.225 287 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.225 287 G C 0.239 175.158 174.900 0.031 0.000 1.003 287 G CA 0.135 45.257 45.100 0.036 0.000 0.622 287 G HN 0.631 nan 8.290 nan 0.000 0.507 288 N N 1.157 119.888 118.700 0.052 0.000 2.469 288 N HA 0.460 5.198 4.740 -0.003 0.000 0.239 288 N C 0.088 175.634 175.510 0.061 0.000 1.053 288 N CA -0.133 52.944 53.050 0.045 0.000 0.937 288 N CB 1.085 39.598 38.487 0.044 0.000 1.163 288 N HN 0.218 nan 8.380 nan 0.000 0.509 289 V N 5.248 125.189 119.914 0.044 0.000 2.405 289 V HA 0.272 4.390 4.120 -0.003 0.000 0.264 289 V C 0.568 176.715 176.094 0.088 0.000 1.048 289 V CA -0.245 62.093 62.300 0.063 0.000 0.966 289 V CB -0.160 31.686 31.823 0.038 0.000 1.015 289 V HN 0.498 nan 8.190 nan 0.000 0.477 290 R N 5.868 126.460 120.500 0.154 0.000 2.343 290 R HA 0.450 4.788 4.340 -0.003 0.000 0.320 290 R C -2.766 173.661 176.300 0.211 0.000 0.956 290 R CA -1.874 54.327 56.100 0.167 0.000 0.836 290 R CB 1.685 32.095 30.300 0.183 0.000 1.151 290 R HN 0.405 nan 8.270 nan 0.000 0.450 291 P HA 0.092 nan 4.420 nan 0.000 0.269 291 P C -0.089 177.251 177.300 0.068 0.000 1.209 291 P CA 0.134 63.306 63.100 0.120 0.000 0.776 291 P CB 0.833 32.590 31.700 0.095 0.000 0.876 292 I N -0.218 120.291 120.570 -0.102 0.000 3.650 292 I HA 0.207 4.376 4.170 -0.003 0.000 0.261 292 I C -0.045 175.675 176.117 -0.662 0.000 1.154 292 I CA 0.491 61.460 61.300 -0.552 0.000 1.418 292 I CB 0.236 37.661 38.000 -0.958 0.000 1.539 292 I HN 0.122 nan 8.210 nan 0.000 0.449 293 F N -0.493 119.413 119.950 -0.074 0.000 2.565 293 F HA 0.330 4.855 4.527 -0.003 0.000 0.313 293 F C 0.768 176.574 175.800 0.011 0.000 1.091 293 F CA -1.103 56.855 58.000 -0.071 0.000 0.915 293 F CB 1.049 39.961 39.000 -0.147 0.000 1.208 293 F HN -0.099 nan 8.300 nan 0.000 0.453 294 H N 1.402 120.547 119.070 0.126 0.000 2.415 294 H HA 0.285 4.839 4.556 -0.003 0.000 0.297 294 H C 0.251 175.569 175.328 -0.017 0.000 1.048 294 H CA 1.407 57.476 56.048 0.035 0.000 1.365 294 H CB 0.467 30.207 29.762 -0.037 0.000 1.421 294 H HN 0.542 nan 8.280 nan 0.000 0.533 295 R N -0.035 120.397 120.500 -0.112 0.000 2.594 295 R HA 0.404 4.742 4.340 -0.003 0.000 0.265 295 R C -2.113 174.038 176.300 -0.247 0.000 1.070 295 R CA -0.665 55.293 56.100 -0.237 0.000 0.909 295 R CB 1.392 31.545 30.300 -0.246 0.000 1.243 295 R HN 0.256 nan 8.270 nan 0.000 0.455 296 I N 2.640 123.013 120.570 -0.327 0.000 2.607 296 I HA 0.583 4.752 4.170 -0.003 0.000 0.290 296 I C -1.492 174.356 176.117 -0.450 0.000 1.129 296 I CA -0.084 60.973 61.300 -0.405 0.000 1.042 296 I CB 2.055 39.742 38.000 -0.521 0.000 1.242 296 I HN 0.893 nan 8.210 nan 0.000 0.421 297 S N 6.300 121.845 115.700 -0.259 0.000 2.615 297 S HA 0.551 5.020 4.470 -0.003 0.000 0.268 297 S C -1.509 173.190 174.600 0.165 0.000 1.146 297 S CA -1.052 57.068 58.200 -0.132 0.000 0.818 297 S CB 1.135 64.241 63.200 -0.157 0.000 1.111 297 S HN 0.579 nan 8.310 nan 0.000 0.465 298 L N 2.632 124.028 121.223 0.288 0.000 2.305 298 L HA 0.478 4.817 4.340 -0.003 0.000 0.281 298 L C 1.316 178.238 176.870 0.086 0.000 1.085 298 L CA -0.102 54.866 54.840 0.212 0.000 0.813 298 L CB 1.599 43.814 42.059 0.259 0.000 1.157 298 L HN 1.039 nan 8.230 nan 0.000 0.436 299 S N 0.470 116.201 115.700 0.053 0.000 2.506 299 S HA 0.223 4.691 4.470 -0.003 0.000 0.219 299 S C 0.293 174.899 174.600 0.010 0.000 1.031 299 S CA -0.236 58.023 58.200 0.098 0.000 0.911 299 S CB 0.579 63.888 63.200 0.182 0.000 0.812 299 S HN 0.634 nan 8.310 nan 0.000 0.497 300 E N -0.489 119.596 120.200 -0.192 0.000 2.409 300 E HA 0.677 5.025 4.350 -0.003 0.000 0.280 300 E C -1.756 174.666 176.600 -0.298 0.000 1.079 300 E CA -0.409 55.818 56.400 -0.288 0.000 0.840 300 E CB 1.472 30.888 29.700 -0.474 0.000 1.309 300 E HN 0.333 nan 8.360 nan 0.000 0.447 301 M N 1.606 121.146 119.600 -0.101 0.000 2.631 301 M HA 0.648 5.126 4.480 -0.003 0.000 0.288 301 M C -1.128 175.314 176.300 0.238 0.000 1.260 301 M CA -0.948 54.329 55.300 -0.040 0.000 0.842 301 M CB 2.498 34.945 32.600 -0.256 0.000 1.743 301 M HN 0.589 nan 8.290 nan 0.000 0.461 302 I N 0.569 121.246 120.570 0.177 0.000 2.752 302 I HA 0.508 4.676 4.170 -0.003 0.000 0.295 302 I C -1.585 174.517 176.117 -0.026 0.000 1.219 302 I CA -0.688 60.666 61.300 0.090 0.000 1.030 302 I CB 2.100 40.131 38.000 0.051 0.000 1.259 302 I HN 0.416 nan 8.210 nan 0.000 0.423 303 V N 8.277 128.208 119.914 0.029 0.000 2.260 303 V HA 0.340 4.458 4.120 -0.003 0.000 0.263 303 V C -2.324 173.807 176.094 0.063 0.000 1.036 303 V CA -1.248 61.037 62.300 -0.025 0.000 0.874 303 V CB 0.576 32.413 31.823 0.023 0.000 1.116 303 V HN 0.525 nan 8.190 nan 0.000 0.454 304 P HA 0.230 nan 4.420 nan 0.000 0.282 304 P C -0.723 176.574 177.300 -0.005 0.000 1.274 304 P CA -0.074 63.070 63.100 0.074 0.000 0.770 304 P CB 0.651 32.329 31.700 -0.036 0.000 0.867 305 Y N 1.231 121.580 120.300 0.083 0.000 2.300 305 Y HA 0.382 4.930 4.550 -0.003 0.000 0.328 305 Y C 2.034 177.922 175.900 -0.018 0.000 1.270 305 Y CA 0.346 58.485 58.100 0.064 0.000 1.352 305 Y CB 0.752 39.251 38.460 0.064 0.000 1.286 305 Y HN 0.471 nan 8.280 nan 0.000 0.536 306 G N 0.215 109.065 108.800 0.084 0.000 3.453 306 G HA2 0.013 3.971 3.960 -0.003 0.000 0.263 306 G HA3 0.013 3.971 3.960 -0.003 0.000 0.263 306 G C -0.178 174.655 174.900 -0.113 0.000 1.060 306 G CA -0.161 44.939 45.100 0.000 0.000 0.793 306 G HN 0.442 nan 8.290 nan 0.000 0.532 307 S N 1.511 117.084 115.700 -0.213 0.000 2.475 307 S HA 0.439 4.907 4.470 -0.003 0.000 0.281 307 S C -0.846 173.485 174.600 -0.448 0.000 1.198 307 S CA -1.358 56.574 58.200 -0.447 0.000 1.063 307 S CB 1.768 64.548 63.200 -0.700 0.000 0.972 307 S HN 0.083 nan 8.310 nan 0.000 0.486 308 P HA 0.071 nan 4.420 nan 0.000 0.241 308 P C -0.321 176.845 177.300 -0.224 0.000 1.191 308 P CA 0.230 63.071 63.100 -0.431 0.000 0.771 308 P CB 0.089 31.458 31.700 -0.552 0.000 0.929 309 E N 0.143 120.247 120.200 -0.160 0.000 2.338 309 E HA 0.144 4.493 4.350 -0.003 0.000 0.272 309 E C -0.375 176.147 176.600 -0.130 0.000 1.029 309 E CA -0.781 55.594 56.400 -0.041 0.000 0.872 309 E CB 0.423 30.170 29.700 0.078 0.000 1.015 309 E HN 0.053 nan 8.360 nan 0.000 0.417 310 F N 4.909 124.725 119.950 -0.224 0.000 2.518 310 F HA 0.087 4.612 4.527 -0.003 0.000 0.359 310 F C -1.383 174.122 175.800 -0.492 0.000 1.118 310 F CA -1.624 56.212 58.000 -0.274 0.000 1.287 310 F CB 0.834 39.740 39.000 -0.156 0.000 1.132 310 F HN 0.328 nan 8.300 nan 0.000 0.587 311 P HA 0.125 nan 4.420 nan 0.000 0.254 311 P C -0.039 176.801 177.300 -0.767 0.000 1.620 311 P CA 0.394 62.670 63.100 -1.373 0.000 1.050 311 P CB -0.415 30.608 31.700 -1.128 0.000 1.539 312 H N 0.489 119.297 119.070 -0.437 0.000 2.545 312 H HA -0.091 4.463 4.556 -0.003 0.000 0.282 312 H C 2.266 177.454 175.328 -0.232 0.000 1.020 312 H CA 0.669 56.506 56.048 -0.351 0.000 1.243 312 H CB 0.092 29.636 29.762 -0.363 0.000 1.377 312 H HN 0.225 nan 8.280 nan 0.000 0.581 313 Q N 1.809 121.524 119.800 -0.141 0.000 2.364 313 Q HA -0.146 4.192 4.340 -0.003 0.000 0.209 313 Q C 1.342 177.405 176.000 0.105 0.000 0.977 313 Q CA 1.159 56.939 55.803 -0.039 0.000 0.885 313 Q CB -0.143 28.555 28.738 -0.066 0.000 0.941 313 Q HN 0.495 nan 8.270 nan 0.000 0.464 314 R N 0.833 121.324 120.500 -0.016 0.000 2.313 314 R HA 0.145 4.484 4.340 -0.003 0.000 0.199 314 R C 0.174 176.476 176.300 0.003 0.000 0.958 314 R CA 0.152 56.266 56.100 0.025 0.000 1.047 314 R CB 0.238 30.473 30.300 -0.109 0.000 0.955 314 R HN 0.167 nan 8.270 nan 0.000 0.481 315 K N 2.231 122.661 120.400 0.051 0.000 2.206 315 K HA 0.069 4.387 4.320 -0.003 0.000 0.268 315 K C -0.329 176.534 176.600 0.438 0.000 1.111 315 K CA -0.017 56.340 56.287 0.117 0.000 0.955 315 K CB 0.371 32.694 32.500 -0.295 0.000 1.406 315 K HN 0.298 nan 8.250 nan 0.000 0.427 316 H N 0.223 119.510 119.070 0.361 0.000 3.080 316 H HA 0.199 4.753 4.556 -0.003 0.000 0.211 316 H C -0.781 174.682 175.328 0.226 0.000 1.359 316 H CA -0.728 55.476 56.048 0.261 0.000 1.322 316 H CB -0.521 29.311 29.762 0.116 0.000 2.164 316 H HN 0.371 nan 8.280 nan 0.000 0.526 317 A N 2.123 125.081 122.820 0.230 0.000 2.548 317 A HA 0.283 4.602 4.320 -0.003 0.000 0.247 317 A C 0.202 177.839 177.584 0.089 0.000 1.067 317 A CA -0.206 51.893 52.037 0.103 0.000 0.757 317 A CB 0.035 19.028 19.000 -0.011 0.000 0.996 317 A HN 0.502 nan 8.150 nan 0.000 0.504 318 L N 3.666 124.917 121.223 0.046 0.000 2.352 318 L HA 0.210 4.548 4.340 -0.003 0.000 0.272 318 L C 0.677 177.532 176.870 -0.026 0.000 1.109 318 L CA -0.042 54.829 54.840 0.052 0.000 0.952 318 L CB 0.662 42.779 42.059 0.097 0.000 1.314 318 L HN 0.722 nan 8.230 nan 0.000 0.427 319 D N 1.486 121.888 120.400 0.003 0.000 2.144 319 D HA -0.172 4.466 4.640 -0.003 0.000 0.199 319 D C 2.035 178.281 176.300 -0.090 0.000 0.984 319 D CA 1.585 55.626 54.000 0.069 0.000 0.834 319 D CB 0.356 41.200 40.800 0.074 0.000 0.955 319 D HN 0.494 nan 8.370 nan 0.000 0.465 320 I N 0.731 121.188 120.570 -0.188 0.000 2.202 320 I HA -0.137 4.032 4.170 -0.003 0.000 0.242 320 I C 2.499 178.413 176.117 -0.338 0.000 1.091 320 I CA 1.315 62.430 61.300 -0.308 0.000 1.368 320 I CB -0.248 37.591 38.000 -0.268 0.000 1.058 320 I HN -0.002 nan 8.210 nan 0.000 0.410 321 G N -0.354 108.289 108.800 -0.262 0.000 2.511 321 G HA2 -0.106 3.853 3.960 -0.003 0.000 0.217 321 G HA3 -0.106 3.853 3.960 -0.003 0.000 0.217 321 G C 1.456 176.212 174.900 -0.240 0.000 1.133 321 G CA 0.241 45.176 45.100 -0.275 0.000 0.792 321 G HN 0.391 nan 8.290 nan 0.000 0.539 322 E N -1.457 118.561 120.200 -0.304 0.000 2.389 322 E HA 0.138 4.486 4.350 -0.003 0.000 0.199 322 E C 0.980 177.152 176.600 -0.713 0.000 0.978 322 E CA 0.285 56.377 56.400 -0.513 0.000 0.912 322 E CB 0.353 29.647 29.700 -0.676 0.000 0.907 322 E HN 0.581 nan 8.360 nan 0.000 0.494 323 Y N -0.516 119.737 120.300 -0.078 0.000 2.640 323 Y HA 0.347 4.896 4.550 -0.003 0.000 0.274 323 Y C 0.743 176.620 175.900 -0.039 0.000 1.164 323 Y CA 0.226 58.304 58.100 -0.037 0.000 1.189 323 Y CB 1.230 39.650 38.460 -0.067 0.000 1.333 323 Y HN -0.037 nan 8.280 nan 0.000 0.494 324 G N 0.774 109.510 108.800 -0.108 0.000 3.421 324 G HA2 0.153 4.111 3.960 -0.003 0.000 0.686 324 G HA3 0.153 4.111 3.960 -0.003 0.000 0.686 324 G C 0.547 175.172 174.900 -0.459 0.000 1.056 324 G CA -0.320 44.566 45.100 -0.357 0.000 0.891 324 G HN 0.615 nan 8.290 nan 0.000 0.514 325 A N 1.255 123.663 122.820 -0.686 0.000 2.067 325 A HA 0.347 4.665 4.320 -0.003 0.000 0.219 325 A C 2.556 179.908 177.584 -0.386 0.000 1.158 325 A CA 2.444 53.928 52.037 -0.922 0.000 0.661 325 A CB -0.326 18.179 19.000 -0.824 0.000 0.801 325 A HN 2.131 nan 8.150 nan 0.000 0.452 326 G N -1.543 107.037 108.800 -0.368 0.000 2.417 326 G HA2 -0.070 3.888 3.960 -0.003 0.000 0.212 326 G HA3 -0.070 3.888 3.960 -0.003 0.000 0.212 326 G C 1.383 176.394 174.900 0.185 0.000 1.187 326 G CA 0.810 45.901 45.100 -0.015 0.000 0.804 326 G HN 0.406 nan 8.290 nan 0.000 0.534 327 Y N 0.547 120.685 120.300 -0.270 0.000 2.193 327 Y HA -0.006 4.542 4.550 -0.003 0.000 0.285 327 Y C 2.742 178.664 175.900 0.038 0.000 1.166 327 Y CA 0.574 58.530 58.100 -0.240 0.000 1.181 327 Y CB -0.145 38.182 38.460 -0.222 0.000 0.976 327 Y HN 0.106 nan 8.280 nan 0.000 0.520 328 M N -0.936 118.779 119.600 0.192 0.000 2.495 328 M HA 0.062 4.540 4.480 -0.003 0.000 0.237 328 M C 0.722 177.210 176.300 0.313 0.000 1.131 328 M CA 0.227 55.656 55.300 0.216 0.000 1.032 328 M CB -1.163 31.544 32.600 0.179 0.000 1.513 328 M HN -0.085 nan 8.290 nan 0.000 0.488 329 T N 2.335 117.101 114.554 0.354 0.000 2.918 329 T HA 0.141 4.489 4.350 -0.003 0.000 0.302 329 T C 0.317 175.181 174.700 0.273 0.000 1.045 329 T CA -0.113 62.220 62.100 0.389 0.000 1.114 329 T CB 0.473 69.644 68.868 0.505 0.000 0.965 329 T HN 0.207 nan 8.240 nan 0.000 0.540 330 N N 4.652 123.481 118.700 0.214 0.000 2.499 330 N HA 0.350 5.089 4.740 -0.003 0.000 0.281 330 N C -2.619 172.936 175.510 0.075 0.000 1.098 330 N CA -1.738 51.390 53.050 0.130 0.000 0.979 330 N CB 0.879 39.426 38.487 0.100 0.000 1.121 330 N HN 0.373 nan 8.380 nan 0.000 0.466 331 P HA 0.139 nan 4.420 nan 0.000 0.271 331 P C 0.355 177.627 177.300 -0.046 0.000 1.226 331 P CA 0.007 63.084 63.100 -0.039 0.000 0.765 331 P CB 0.607 32.279 31.700 -0.046 0.000 0.835 332 L N 1.679 122.847 121.223 -0.092 0.000 2.567 332 L HA -0.040 4.298 4.340 -0.003 0.000 0.225 332 L C 2.113 178.959 176.870 -0.041 0.000 1.119 332 L CA 0.490 55.316 54.840 -0.023 0.000 0.871 332 L CB -0.512 41.604 42.059 0.095 0.000 1.036 332 L HN 0.370 nan 8.230 nan 0.000 0.459 333 S N 0.539 116.132 115.700 -0.180 0.000 2.359 333 S HA -0.201 4.267 4.470 -0.003 0.000 0.224 333 S C 1.841 176.434 174.600 -0.013 0.000 1.035 333 S CA 1.008 59.133 58.200 -0.125 0.000 1.018 333 S CB -0.597 62.485 63.200 -0.195 0.000 0.876 333 S HN 0.333 nan 8.310 nan 0.000 0.448 334 L N 1.532 122.745 121.223 -0.017 0.000 1.937 334 L HA 0.010 4.348 4.340 -0.003 0.000 0.213 334 L C 3.116 179.998 176.870 0.019 0.000 1.077 334 L CA 1.558 56.401 54.840 0.005 0.000 0.758 334 L CB -1.540 40.523 42.059 0.007 0.000 0.888 334 L HN 0.523 nan 8.230 nan 0.000 0.433 335 G N -1.763 107.050 108.800 0.022 0.000 2.511 335 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.216 335 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.216 335 G C 0.557 175.469 174.900 0.019 0.000 1.218 335 G CA 1.041 46.153 45.100 0.021 0.000 0.788 335 G HN 0.556 nan 8.290 nan 0.000 0.560 336 C N -0.764 118.551 119.300 0.026 0.000 3.344 336 C HA 0.029 4.488 4.460 -0.003 0.000 0.366 336 C C -0.235 174.765 174.990 0.017 0.000 0.909 336 C CA -0.286 58.746 59.018 0.023 0.000 3.907 336 C CB -1.490 26.257 27.740 0.012 0.000 1.147 336 C HN 0.595 nan 8.230 nan 0.000 0.603 337 D N 0.854 121.273 120.400 0.033 0.000 2.535 337 D HA 0.374 5.012 4.640 -0.003 0.000 0.229 337 D C 0.380 176.671 176.300 -0.015 0.000 1.238 337 D CA 0.182 54.205 54.000 0.038 0.000 0.824 337 D CB 0.425 41.285 40.800 0.101 0.000 1.045 337 D HN 0.555 nan 8.370 nan 0.000 0.500 338 c N 1.673 120.245 118.600 -0.047 0.000 3.163 338 c HA 0.405 4.973 4.570 -0.003 0.000 0.228 338 c C 0.124 174.102 174.090 -0.186 0.000 1.593 338 c CA -0.770 55.460 56.329 -0.166 0.000 1.489 338 c CB -1.575 40.939 42.510 0.008 0.000 2.294 338 c HN 0.029 nan 8.230 nan 0.000 0.508 339 K N 1.330 121.596 120.400 -0.224 0.000 2.326 339 K HA 0.525 4.843 4.320 -0.003 0.000 0.275 339 K C 0.941 177.470 176.600 -0.118 0.000 1.018 339 K CA 1.589 57.799 56.287 -0.128 0.000 0.962 339 K CB 0.668 33.115 32.500 -0.088 0.000 0.953 339 K HN 0.847 nan 8.250 nan 0.000 0.475 340 G N 0.591 109.366 108.800 -0.042 0.000 2.445 340 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.212 340 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.212 340 G C -1.083 173.821 174.900 0.008 0.000 1.217 340 G CA -0.685 44.417 45.100 0.003 0.000 1.002 340 G HN 0.449 nan 8.290 nan 0.000 0.574 341 V N 1.011 120.952 119.914 0.044 0.000 2.348 341 V HA 0.613 4.731 4.120 -0.003 0.000 0.270 341 V C 0.193 176.352 176.094 0.108 0.000 1.037 341 V CA -0.118 62.206 62.300 0.040 0.000 0.872 341 V CB 0.757 32.587 31.823 0.013 0.000 1.002 341 V HN 0.634 nan 8.190 nan 0.000 0.464 342 I N 3.723 124.316 120.570 0.039 0.000 2.846 342 I HA 0.527 4.696 4.170 -0.003 0.000 0.307 342 I C -0.385 175.739 176.117 0.012 0.000 1.053 342 I CA -0.605 60.684 61.300 -0.018 0.000 1.050 342 I CB 2.157 39.961 38.000 -0.327 0.000 1.239 342 I HN 0.669 nan 8.210 nan 0.000 0.439 343 H N 3.276 122.296 119.070 -0.084 0.000 2.538 343 H HA 0.598 5.152 4.556 -0.003 0.000 0.353 343 H C -1.641 173.558 175.328 -0.214 0.000 1.109 343 H CA -0.342 55.658 56.048 -0.079 0.000 1.192 343 H CB 1.012 30.827 29.762 0.088 0.000 1.555 343 H HN 0.371 nan 8.280 nan 0.000 0.518 344 Y N 3.591 123.803 120.300 -0.147 0.000 2.487 344 Y HA 0.425 4.974 4.550 -0.003 0.000 0.337 344 Y C -0.541 175.330 175.900 -0.049 0.000 1.076 344 Y CA -0.888 57.171 58.100 -0.069 0.000 1.115 344 Y CB 1.448 39.842 38.460 -0.110 0.000 1.235 344 Y HN 0.419 nan 8.280 nan 0.000 0.468 345 L N 2.732 124.036 121.223 0.135 0.000 2.346 345 L HA 0.484 4.823 4.340 -0.003 0.000 0.274 345 L C -0.915 175.857 176.870 -0.163 0.000 1.007 345 L CA -1.044 53.790 54.840 -0.010 0.000 0.818 345 L CB 1.681 43.710 42.059 -0.050 0.000 1.284 345 L HN 0.529 nan 8.230 nan 0.000 0.424 346 D N 1.415 121.685 120.400 -0.217 0.000 2.253 346 D HA 0.584 5.222 4.640 -0.003 0.000 0.249 346 D C -0.274 175.652 176.300 -0.624 0.000 1.049 346 D CA -0.113 53.651 54.000 -0.393 0.000 0.929 346 D CB 2.074 42.660 40.800 -0.355 0.000 1.176 346 D HN 0.566 nan 8.370 nan 0.000 0.437 347 A N 1.460 123.836 122.820 -0.739 0.000 2.337 347 A HA 0.599 4.918 4.320 -0.003 0.000 0.329 347 A C -1.051 175.901 177.584 -1.053 0.000 1.146 347 A CA -0.559 51.005 52.037 -0.788 0.000 0.800 347 A CB 0.491 19.127 19.000 -0.607 0.000 1.220 347 A HN 0.665 nan 8.150 nan 0.000 0.472 348 H N 0.565 119.299 119.070 -0.559 0.000 2.609 348 H HA 0.653 5.207 4.556 -0.003 0.000 0.344 348 H C -1.265 173.839 175.328 -0.372 0.000 1.040 348 H CA -0.198 55.595 56.048 -0.424 0.000 1.216 348 H CB 1.406 31.081 29.762 -0.146 0.000 1.529 348 H HN 0.555 nan 8.280 nan 0.000 0.519 349 F N -0.322 119.791 119.950 0.272 0.000 2.764 349 F HA 0.547 5.073 4.527 -0.003 0.000 0.347 349 F C 0.442 176.340 175.800 0.164 0.000 1.151 349 F CA -1.205 56.950 58.000 0.259 0.000 1.021 349 F CB 1.400 40.648 39.000 0.413 0.000 1.438 349 F HN 0.368 nan 8.300 nan 0.000 0.516 350 S N -0.036 115.882 115.700 0.363 0.000 2.509 350 S HA 0.534 5.002 4.470 -0.003 0.000 0.297 350 S C -1.048 173.640 174.600 0.146 0.000 1.118 350 S CA -0.768 57.527 58.200 0.158 0.000 1.074 350 S CB 0.531 63.757 63.200 0.043 0.000 1.038 350 S HN 0.605 nan 8.310 nan 0.000 0.498 351 D N 2.689 123.139 120.400 0.082 0.000 2.451 351 D HA 0.302 4.940 4.640 -0.003 0.000 0.259 351 D C 1.096 177.447 176.300 0.085 0.000 1.201 351 D CA -0.557 53.479 54.000 0.060 0.000 1.028 351 D CB 0.292 41.120 40.800 0.047 0.000 1.095 351 D HN 0.539 nan 8.370 nan 0.000 0.539 352 R N -0.643 119.903 120.500 0.076 0.000 2.127 352 R HA -0.067 4.272 4.340 -0.003 0.000 0.238 352 R C 1.927 178.337 176.300 0.184 0.000 1.134 352 R CA 1.549 57.719 56.100 0.117 0.000 0.975 352 R CB -0.466 29.867 30.300 0.054 0.000 0.865 352 R HN 0.588 nan 8.270 nan 0.000 0.447 353 A N -0.354 122.537 122.820 0.119 0.000 2.168 353 A HA 0.128 4.446 4.320 -0.003 0.000 0.215 353 A C 1.489 179.130 177.584 0.094 0.000 1.152 353 A CA 1.058 53.165 52.037 0.117 0.000 0.716 353 A CB -0.109 18.925 19.000 0.056 0.000 0.794 353 A HN 0.470 nan 8.150 nan 0.000 0.465 354 G N -0.765 108.026 108.800 -0.015 0.000 2.144 354 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.218 354 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.218 354 G C -0.531 174.221 174.900 -0.246 0.000 0.988 354 G CA 0.111 44.971 45.100 -0.401 0.000 0.659 354 G HN 0.459 nan 8.290 nan 0.000 0.522 355 D N 1.310 121.652 120.400 -0.097 0.000 2.210 355 D HA 0.484 5.122 4.640 -0.003 0.000 0.249 355 D C -2.303 173.982 176.300 -0.025 0.000 1.062 355 D CA -1.344 52.622 54.000 -0.057 0.000 0.891 355 D CB 1.419 42.208 40.800 -0.019 0.000 1.186 355 D HN 0.059 nan 8.370 nan 0.000 0.432 356 P HA 0.147 nan 4.420 nan 0.000 0.268 356 P C -0.356 176.976 177.300 0.053 0.000 1.204 356 P CA -0.056 63.055 63.100 0.018 0.000 0.768 356 P CB 0.418 32.105 31.700 -0.022 0.000 0.842 357 I N -1.130 119.505 120.570 0.108 0.000 2.646 357 I HA 0.685 4.853 4.170 -0.003 0.000 0.299 357 I C -0.840 175.338 176.117 0.101 0.000 1.036 357 I CA -0.659 60.710 61.300 0.114 0.000 1.074 357 I CB 2.595 40.684 38.000 0.150 0.000 1.258 357 I HN 0.042 nan 8.210 nan 0.000 0.430 358 T N 4.137 118.732 114.554 0.069 0.000 2.824 358 T HA 0.499 4.847 4.350 -0.003 0.000 0.282 358 T C -0.473 174.189 174.700 -0.063 0.000 0.993 358 T CA -0.461 61.635 62.100 -0.007 0.000 0.967 358 T CB 1.993 70.909 68.868 0.079 0.000 0.960 358 T HN 0.427 nan 8.240 nan 0.000 0.441 359 V N 4.928 124.734 119.914 -0.180 0.000 2.328 359 V HA 0.327 4.445 4.120 -0.003 0.000 0.278 359 V C 0.301 176.279 176.094 -0.194 0.000 1.021 359 V CA -0.983 61.254 62.300 -0.105 0.000 0.838 359 V CB 0.971 32.798 31.823 0.007 0.000 0.999 359 V HN 0.657 nan 8.190 nan 0.000 0.447 360 K N 3.628 123.940 120.400 -0.148 0.000 2.350 360 K HA 0.201 4.520 4.320 -0.003 0.000 0.279 360 K C 0.652 177.102 176.600 -0.250 0.000 1.027 360 K CA 0.177 56.351 56.287 -0.188 0.000 0.969 360 K CB 0.088 32.496 32.500 -0.153 0.000 0.954 360 K HN 0.818 nan 8.250 nan 0.000 0.474 361 N N 0.837 119.352 118.700 -0.308 0.000 2.727 361 N HA -0.262 4.476 4.740 -0.003 0.000 0.251 361 N C 0.396 175.770 175.510 -0.226 0.000 1.040 361 N CA 0.377 53.176 53.050 -0.419 0.000 0.712 361 N CB -0.722 37.194 38.487 -0.951 0.000 0.912 361 N HN 0.726 nan 8.380 nan 0.000 0.545 362 A N -0.635 122.048 122.820 -0.228 0.000 2.016 362 A HA 0.182 4.501 4.320 -0.003 0.000 0.217 362 A C 0.869 178.359 177.584 -0.156 0.000 1.162 362 A CA 1.023 52.922 52.037 -0.230 0.000 0.662 362 A CB 0.658 19.365 19.000 -0.489 0.000 0.812 362 A HN 0.183 nan 8.150 nan 0.000 0.450 363 V N -0.655 119.186 119.914 -0.122 0.000 2.540 363 V HA 0.378 4.497 4.120 -0.003 0.000 0.302 363 V C -0.500 175.696 176.094 0.170 0.000 1.035 363 V CA -0.976 61.335 62.300 0.019 0.000 0.873 363 V CB 1.146 32.945 31.823 -0.039 0.000 0.992 363 V HN 0.369 nan 8.190 nan 0.000 0.428 364 c N 7.092 125.796 118.600 0.172 0.000 2.322 364 c HA 0.802 5.371 4.570 -0.003 0.000 0.324 364 c C -0.417 173.726 174.090 0.088 0.000 1.284 364 c CA -0.398 56.007 56.329 0.126 0.000 1.606 364 c CB -0.755 41.850 42.510 0.157 0.000 2.251 364 c HN 0.803 nan 8.230 nan 0.000 0.502 365 I N 8.105 128.672 120.570 -0.005 0.000 2.436 365 I HA 0.567 4.735 4.170 -0.003 0.000 0.289 365 I C -0.121 175.943 176.117 -0.087 0.000 1.010 365 I CA 0.024 61.255 61.300 -0.116 0.000 1.098 365 I CB 1.339 39.171 38.000 -0.281 0.000 1.266 365 I HN 0.856 nan 8.210 nan 0.000 0.434 366 H N 4.736 123.648 119.070 -0.264 0.000 3.014 366 H HA 0.513 5.067 4.556 -0.003 0.000 0.337 366 H C -1.920 173.344 175.328 -0.106 0.000 1.320 366 H CA -1.058 54.938 56.048 -0.086 0.000 1.128 366 H CB 1.565 31.328 29.762 0.001 0.000 1.862 366 H HN 0.626 nan 8.280 nan 0.000 0.536 367 E N 1.410 121.632 120.200 0.037 0.000 2.227 367 E HA 0.587 4.935 4.350 -0.003 0.000 0.268 367 E C -1.075 175.540 176.600 0.025 0.000 0.907 367 E CA -0.889 55.465 56.400 -0.077 0.000 0.786 367 E CB 2.851 32.621 29.700 0.116 0.000 1.191 367 E HN 0.643 nan 8.360 nan 0.000 0.411 368 E N 1.303 121.487 120.200 -0.026 0.000 2.367 368 E HA 0.128 4.476 4.350 -0.003 0.000 0.273 368 E C -1.269 175.364 176.600 0.055 0.000 0.903 368 E CA -0.936 55.487 56.400 0.038 0.000 0.764 368 E CB 2.056 31.753 29.700 -0.005 0.000 1.252 368 E HN 0.559 nan 8.360 nan 0.000 0.446 369 D N 1.287 121.722 120.400 0.059 0.000 2.455 369 D HA -0.063 4.575 4.640 -0.003 0.000 0.241 369 D C -0.587 175.731 176.300 0.030 0.000 1.138 369 D CA 0.652 54.682 54.000 0.050 0.000 0.877 369 D CB 0.850 41.672 40.800 0.036 0.000 1.187 369 D HN 0.339 nan 8.370 nan 0.000 0.451 370 D N 1.998 122.418 120.400 0.033 0.000 2.804 370 D HA 0.310 4.948 4.640 -0.003 0.000 0.308 370 D C 0.633 176.938 176.300 0.008 0.000 1.371 370 D CA 0.432 54.443 54.000 0.018 0.000 0.823 370 D CB -0.071 40.750 40.800 0.036 0.000 1.126 370 D HN 0.718 nan 8.370 nan 0.000 0.467 371 G N 0.307 109.107 108.800 0.001 0.000 2.553 371 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.242 371 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.242 371 G C -0.353 174.534 174.900 -0.022 0.000 1.277 371 G CA -0.235 44.859 45.100 -0.009 0.000 0.910 371 G HN 0.281 nan 8.290 nan 0.000 0.576 372 L N 0.602 121.809 121.223 -0.027 0.000 2.349 372 L HA 0.397 4.735 4.340 -0.003 0.000 0.275 372 L C 1.723 178.549 176.870 -0.073 0.000 1.115 372 L CA -0.703 54.105 54.840 -0.054 0.000 0.820 372 L CB 1.189 43.231 42.059 -0.028 0.000 1.135 372 L HN 0.581 nan 8.230 nan 0.000 0.445 373 L N 4.164 125.272 121.223 -0.193 0.000 2.145 373 L HA 0.244 4.583 4.340 -0.003 0.000 0.201 373 L C -0.037 176.747 176.870 -0.143 0.000 1.075 373 L CA 1.407 56.099 54.840 -0.246 0.000 0.773 373 L CB 0.183 41.933 42.059 -0.514 0.000 0.936 373 L HN 0.571 nan 8.230 nan 0.000 0.451 374 F N -2.780 117.193 119.950 0.038 0.000 2.741 374 F HA 0.577 5.102 4.527 -0.003 0.000 0.311 374 F C -0.701 175.130 175.800 0.051 0.000 1.149 374 F CA -1.401 56.623 58.000 0.039 0.000 0.930 374 F CB 0.911 39.931 39.000 0.033 0.000 1.312 374 F HN -0.237 nan 8.300 nan 0.000 0.450 375 K N 0.788 121.388 120.400 0.334 0.000 2.562 375 K HA 0.599 4.918 4.320 -0.003 0.000 0.267 375 K C -2.474 174.286 176.600 0.267 0.000 0.938 375 K CA -0.843 55.589 56.287 0.242 0.000 0.840 375 K CB 2.387 34.958 32.500 0.117 0.000 1.390 375 K HN 1.039 nan 8.250 nan 0.000 0.428 376 H N 0.083 119.226 119.070 0.121 0.000 3.086 376 H HA 0.500 5.055 4.556 -0.003 0.000 0.353 376 H C -1.911 173.480 175.328 0.104 0.000 1.134 376 H CA -0.258 55.844 56.048 0.091 0.000 1.248 376 H CB 2.011 31.818 29.762 0.076 0.000 1.878 376 H HN 0.514 nan 8.280 nan 0.000 0.527 377 S N 2.931 118.268 115.700 -0.604 0.000 2.570 377 S HA 0.242 4.710 4.470 -0.003 0.000 0.286 377 S C -1.355 173.067 174.600 -0.297 0.000 1.099 377 S CA -0.901 57.136 58.200 -0.270 0.000 0.913 377 S CB 1.679 64.866 63.200 -0.020 0.000 1.085 377 S HN 0.672 nan 8.310 nan 0.000 0.480 378 D N 1.424 121.807 120.400 -0.027 0.000 2.274 378 D HA 0.255 4.893 4.640 -0.003 0.000 0.239 378 D C 0.862 177.108 176.300 -0.090 0.000 1.104 378 D CA -0.923 53.039 54.000 -0.064 0.000 0.840 378 D CB 0.590 41.318 40.800 -0.120 0.000 1.100 378 D HN 0.453 nan 8.370 nan 0.000 0.477 379 F N 3.296 123.224 119.950 -0.036 0.000 2.333 379 F HA 0.019 4.544 4.527 -0.003 0.000 0.300 379 F C 1.806 177.415 175.800 -0.318 0.000 1.083 379 F CA 0.357 58.129 58.000 -0.381 0.000 1.395 379 F CB -0.280 38.628 39.000 -0.153 0.000 1.056 379 F HN 0.205 nan 8.300 nan 0.000 0.529 380 R N 0.939 120.981 120.500 -0.762 0.000 2.096 380 R HA -0.129 4.209 4.340 -0.003 0.000 0.235 380 R C 0.509 176.667 176.300 -0.237 0.000 1.127 380 R CA 1.561 57.359 56.100 -0.503 0.000 0.968 380 R CB -0.622 29.357 30.300 -0.535 0.000 0.861 380 R HN 0.513 nan 8.270 nan 0.000 0.440 381 D N -1.039 119.229 120.400 -0.220 0.000 2.894 381 D HA 0.031 4.669 4.640 -0.003 0.000 0.273 381 D C -0.596 175.611 176.300 -0.155 0.000 1.328 381 D CA -0.459 53.458 54.000 -0.138 0.000 0.845 381 D CB -0.559 40.189 40.800 -0.086 0.000 1.072 381 D HN -0.048 nan 8.370 nan 0.000 0.484 382 N N 0.937 119.470 118.700 -0.280 0.000 2.707 382 N HA -0.260 4.478 4.740 -0.003 0.000 0.253 382 N C -0.612 174.716 175.510 -0.303 0.000 0.998 382 N CA 0.733 53.523 53.050 -0.432 0.000 0.751 382 N CB -0.772 37.596 38.487 -0.199 0.000 0.920 382 N HN 0.341 nan 8.380 nan 0.000 0.539 383 F N -4.384 115.571 119.950 0.008 0.000 2.884 383 F HA -0.335 4.190 4.527 -0.003 0.000 0.294 383 F C 1.645 177.454 175.800 0.015 0.000 0.723 383 F CA 0.636 58.634 58.000 -0.004 0.000 1.294 383 F CB -2.115 36.887 39.000 0.002 0.000 1.551 383 F HN 0.315 nan 8.300 nan 0.000 0.363 384 A N -1.039 121.853 122.820 0.120 0.000 1.902 384 A HA -0.040 4.279 4.320 -0.003 0.000 0.217 384 A C 1.468 179.127 177.584 0.124 0.000 1.181 384 A CA 1.920 54.026 52.037 0.115 0.000 0.623 384 A CB -0.519 18.515 19.000 0.057 0.000 0.818 384 A HN 0.356 nan 8.150 nan 0.000 0.443 385 T N 1.052 115.650 114.554 0.073 0.000 2.738 385 T HA 0.433 4.781 4.350 -0.003 0.000 0.293 385 T C -0.240 174.515 174.700 0.092 0.000 0.913 385 T CA 0.600 62.734 62.100 0.056 0.000 1.103 385 T CB 0.198 69.071 68.868 0.008 0.000 0.880 385 T HN 0.309 nan 8.240 nan 0.000 0.526 386 S N 3.488 119.258 115.700 0.118 0.000 2.535 386 S HA 0.687 5.155 4.470 -0.003 0.000 0.272 386 S C -1.741 172.947 174.600 0.147 0.000 1.149 386 S CA -0.888 57.403 58.200 0.151 0.000 0.888 386 S CB 1.070 64.415 63.200 0.242 0.000 1.110 386 S HN 0.672 nan 8.310 nan 0.000 0.463 387 L N 4.543 125.860 121.223 0.156 0.000 2.438 387 L HA 0.931 5.269 4.340 -0.003 0.000 0.270 387 L C -1.416 175.576 176.870 0.203 0.000 0.972 387 L CA -0.538 54.398 54.840 0.161 0.000 0.831 387 L CB 1.720 43.869 42.059 0.149 0.000 1.273 387 L HN 0.572 nan 8.230 nan 0.000 0.405 388 V N 3.819 123.848 119.914 0.193 0.000 2.709 388 V HA 0.729 4.847 4.120 -0.003 0.000 0.308 388 V C -0.926 175.202 176.094 0.057 0.000 1.062 388 V CA 0.137 62.518 62.300 0.134 0.000 0.901 388 V CB 2.499 34.388 31.823 0.109 0.000 1.003 388 V HN 0.862 nan 8.190 nan 0.000 0.425 389 T N 7.121 121.618 114.554 -0.096 0.000 2.881 389 T HA 0.534 4.882 4.350 -0.003 0.000 0.291 389 T C -0.436 174.086 174.700 -0.297 0.000 0.990 389 T CA -0.570 61.379 62.100 -0.252 0.000 0.976 389 T CB 1.190 69.741 68.868 -0.528 0.000 0.970 389 T HN 0.746 nan 8.240 nan 0.000 0.438 390 R N 1.445 121.850 120.500 -0.158 0.000 2.490 390 R HA 0.712 5.051 4.340 -0.003 0.000 0.278 390 R C 0.108 176.344 176.300 -0.106 0.000 1.069 390 R CA -0.653 55.382 56.100 -0.109 0.000 1.080 390 R CB 0.908 31.184 30.300 -0.040 0.000 1.030 390 R HN 0.682 nan 8.270 nan 0.000 0.491 391 A N 1.653 124.437 122.820 -0.061 0.000 2.310 391 A HA 0.437 4.755 4.320 -0.003 0.000 0.299 391 A C -0.338 177.295 177.584 0.082 0.000 1.147 391 A CA -0.307 51.731 52.037 0.002 0.000 0.818 391 A CB 0.993 20.003 19.000 0.016 0.000 1.096 391 A HN 0.620 nan 8.150 nan 0.000 0.495 392 T N 2.177 116.840 114.554 0.182 0.000 2.856 392 T HA 0.558 4.906 4.350 -0.003 0.000 0.283 392 T C -0.370 174.576 174.700 0.409 0.000 1.008 392 T CA -0.676 61.592 62.100 0.280 0.000 0.997 392 T CB 1.301 70.396 68.868 0.379 0.000 0.992 392 T HN 0.760 nan 8.240 nan 0.000 0.454 393 K N 1.563 122.079 120.400 0.194 0.000 2.259 393 K HA 0.777 5.095 4.320 -0.003 0.000 0.249 393 K C -1.338 175.040 176.600 -0.369 0.000 0.942 393 K CA -1.110 55.194 56.287 0.029 0.000 0.816 393 K CB 1.722 34.216 32.500 -0.010 0.000 1.155 393 K HN 0.347 nan 8.250 nan 0.000 0.428 394 L N 2.409 123.146 121.223 -0.809 0.000 2.282 394 L HA 0.402 4.740 4.340 -0.003 0.000 0.288 394 L C -1.400 175.214 176.870 -0.426 0.000 1.033 394 L CA -0.453 53.836 54.840 -0.918 0.000 0.807 394 L CB 1.770 42.933 42.059 -1.494 0.000 1.209 394 L HN 0.576 nan 8.230 nan 0.000 0.423 395 V N 5.751 125.405 119.914 -0.433 0.000 2.448 395 V HA 0.528 4.647 4.120 -0.003 0.000 0.295 395 V C -0.559 175.490 176.094 -0.076 0.000 1.025 395 V CA -0.705 61.469 62.300 -0.210 0.000 0.859 395 V CB 1.834 33.467 31.823 -0.315 0.000 0.988 395 V HN 0.494 nan 8.190 nan 0.000 0.431 396 V N 4.438 124.428 119.914 0.127 0.000 2.378 396 V HA 0.718 4.836 4.120 -0.003 0.000 0.288 396 V C 0.052 176.320 176.094 0.290 0.000 1.016 396 V CA -0.206 62.200 62.300 0.178 0.000 0.840 396 V CB 1.552 33.500 31.823 0.210 0.000 0.994 396 V HN 1.028 nan 8.190 nan 0.000 0.431 397 S N 4.359 120.194 115.700 0.225 0.000 2.595 397 S HA 0.926 5.394 4.470 -0.003 0.000 0.281 397 S C -1.040 173.639 174.600 0.131 0.000 1.117 397 S CA -0.829 57.457 58.200 0.143 0.000 0.873 397 S CB 2.528 65.780 63.200 0.087 0.000 1.108 397 S HN 0.845 nan 8.310 nan 0.000 0.477 398 Q N 0.424 120.266 119.800 0.069 0.000 2.511 398 Q HA 0.784 5.122 4.340 -0.003 0.000 0.289 398 Q C -1.713 174.312 176.000 0.042 0.000 1.021 398 Q CA -1.130 54.759 55.803 0.143 0.000 0.785 398 Q CB 1.567 30.514 28.738 0.349 0.000 1.472 398 Q HN 0.739 nan 8.270 nan 0.000 0.411 399 I N 2.149 122.782 120.570 0.105 0.000 2.499 399 I HA 0.516 4.684 4.170 -0.003 0.000 0.288 399 I C -1.129 175.107 176.117 0.198 0.000 1.048 399 I CA -0.917 60.413 61.300 0.050 0.000 1.062 399 I CB 1.523 39.524 38.000 0.001 0.000 1.238 399 I HN 0.694 nan 8.210 nan 0.000 0.426 400 F N 2.795 122.827 119.950 0.137 0.000 2.538 400 F HA 0.806 5.332 4.527 -0.003 0.000 0.325 400 F C -0.585 175.312 175.800 0.161 0.000 1.066 400 F CA -0.644 57.450 58.000 0.156 0.000 0.946 400 F CB 1.670 40.766 39.000 0.159 0.000 1.199 400 F HN 0.158 nan 8.300 nan 0.000 0.473 401 T N 2.496 117.268 114.554 0.363 0.000 2.786 401 T HA 0.664 5.012 4.350 -0.003 0.000 0.283 401 T C -0.469 174.385 174.700 0.256 0.000 0.992 401 T CA -0.504 61.721 62.100 0.209 0.000 0.954 401 T CB 1.221 70.163 68.868 0.123 0.000 0.934 401 T HN 0.897 nan 8.240 nan 0.000 0.440 402 A N 2.902 125.853 122.820 0.218 0.000 2.654 402 A HA 0.768 5.086 4.320 -0.003 0.000 0.345 402 A C 1.193 178.719 177.584 -0.097 0.000 1.368 402 A CA 0.047 52.106 52.037 0.037 0.000 0.895 402 A CB -0.879 18.209 19.000 0.146 0.000 1.143 402 A HN 1.467 nan 8.150 nan 0.000 0.490 403 A N 2.302 125.064 122.820 -0.097 0.000 5.078 403 A HA -0.319 3.999 4.320 -0.003 0.000 0.342 403 A C 1.068 178.683 177.584 0.052 0.000 1.749 403 A CA 1.772 53.807 52.037 -0.003 0.000 0.700 403 A CB -2.093 16.902 19.000 -0.009 0.000 1.446 403 A HN 1.485 nan 8.150 nan 0.000 0.395 407 Y N 1.414 121.399 120.300 -0.526 0.000 2.334 407 Y HA 0.427 4.975 4.550 -0.003 0.000 0.336 407 Y C -0.332 175.295 175.900 -0.454 0.000 0.960 407 Y CA -0.764 56.999 58.100 -0.562 0.000 1.164 407 Y CB 1.148 39.005 38.460 -1.004 0.000 1.155 407 Y HN 0.463 nan 8.280 nan 0.000 0.478 408 C N 5.832 125.020 119.300 -0.186 0.000 2.255 408 C HA 0.571 5.030 4.460 -0.003 0.000 0.326 408 C C -0.011 174.740 174.990 -0.399 0.000 1.258 408 C CA -1.209 57.647 59.018 -0.269 0.000 1.676 408 C CB -1.160 26.499 27.740 -0.136 0.000 2.314 408 C HN 0.641 nan 8.230 nan 0.000 0.509 409 L N 3.881 124.816 121.223 -0.480 0.000 2.313 409 L HA 0.500 4.838 4.340 -0.003 0.000 0.283 409 L C -1.052 175.468 176.870 -0.583 0.000 1.013 409 L CA -0.412 54.184 54.840 -0.406 0.000 0.816 409 L CB 0.681 42.667 42.059 -0.121 0.000 1.236 409 L HN 0.613 nan 8.230 nan 0.000 0.419 410 Y N 0.988 121.139 120.300 -0.248 0.000 2.363 410 Y HA 0.314 4.862 4.550 -0.003 0.000 0.325 410 Y C -0.824 174.894 175.900 -0.302 0.000 0.984 410 Y CA -0.682 57.322 58.100 -0.160 0.000 1.248 410 Y CB 1.093 39.486 38.460 -0.113 0.000 1.116 410 Y HN 0.465 nan 8.280 nan 0.000 0.470 411 W N 3.592 124.914 121.300 0.037 0.000 2.331 411 W HA 0.641 5.299 4.660 -0.002 0.000 0.306 411 W C -0.921 175.544 176.519 -0.090 0.000 1.162 411 W CA -0.765 56.532 57.345 -0.080 0.000 1.232 411 W CB 1.106 30.526 29.460 -0.067 0.000 1.235 411 W HN 0.121 nan 8.180 nan 0.000 0.479 412 V N 5.133 125.018 119.914 -0.049 0.000 2.444 412 V HA 0.420 4.538 4.120 -0.003 0.000 0.294 412 V C -0.607 175.338 176.094 -0.248 0.000 1.022 412 V CA -1.179 61.069 62.300 -0.086 0.000 0.850 412 V CB 0.687 32.452 31.823 -0.097 0.000 0.992 412 V HN 0.269 nan 8.190 nan 0.000 0.426 413 F N 4.595 124.424 119.950 -0.202 0.000 2.421 413 F HA 0.717 5.242 4.527 -0.003 0.000 0.337 413 F C 0.362 176.278 175.800 0.194 0.000 1.105 413 F CA -0.429 57.480 58.000 -0.152 0.000 1.049 413 F CB 1.725 40.511 39.000 -0.357 0.000 1.139 413 F HN 0.273 nan 8.300 nan 0.000 0.479 414 M N 1.857 121.804 119.600 0.578 0.000 2.662 414 M HA 0.302 4.780 4.480 -0.003 0.000 0.310 414 M C 0.503 177.210 176.300 0.678 0.000 1.204 414 M CA -0.538 55.104 55.300 0.570 0.000 0.891 414 M CB 2.246 35.023 32.600 0.295 0.000 1.732 414 M HN 0.595 nan 8.290 nan 0.000 0.467 415 Q N 0.577 120.647 119.800 0.450 0.000 2.444 415 Q HA -0.080 4.259 4.340 -0.003 0.000 0.206 415 Q C 0.347 176.440 176.000 0.156 0.000 0.948 415 Q CA 0.561 56.507 55.803 0.239 0.000 0.946 415 Q CB 0.115 28.921 28.738 0.113 0.000 1.027 415 Q HN 0.645 nan 8.270 nan 0.000 0.513 416 D N -1.226 119.279 120.400 0.175 0.000 2.328 416 D HA 0.032 4.670 4.640 -0.003 0.000 0.221 416 D C 1.137 177.454 176.300 0.028 0.000 1.072 416 D CA 0.721 54.763 54.000 0.071 0.000 0.850 416 D CB 0.217 41.072 40.800 0.092 0.000 0.922 416 D HN 0.222 nan 8.370 nan 0.000 0.516 417 G N -0.333 108.574 108.800 0.179 0.000 2.176 417 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.253 417 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.253 417 G C 0.525 175.745 174.900 0.533 0.000 0.979 417 G CA 0.181 45.431 45.100 0.250 0.000 0.641 417 G HN 0.816 nan 8.290 nan 0.000 0.530 418 A N -0.309 122.732 122.820 0.370 0.000 2.332 418 A HA 0.799 5.118 4.320 -0.003 0.000 0.258 418 A C 0.211 177.936 177.584 0.236 0.000 1.087 418 A CA 0.105 52.311 52.037 0.283 0.000 0.802 418 A CB 0.493 19.570 19.000 0.128 0.000 1.042 418 A HN 0.870 nan 8.150 nan 0.000 0.489 419 I N 0.463 121.086 120.570 0.089 0.000 2.498 419 I HA 0.478 4.646 4.170 -0.003 0.000 0.290 419 I C 0.060 176.075 176.117 -0.170 0.000 1.032 419 I CA -0.359 60.803 61.300 -0.231 0.000 1.073 419 I CB 2.016 39.783 38.000 -0.389 0.000 1.251 419 I HN 0.767 nan 8.210 nan 0.000 0.426 420 R N 4.705 125.070 120.500 -0.225 0.000 2.740 420 R HA 0.695 5.033 4.340 -0.003 0.000 0.282 420 R C -1.774 174.371 176.300 -0.258 0.000 0.969 420 R CA -0.824 55.161 56.100 -0.193 0.000 0.918 420 R CB 2.056 32.270 30.300 -0.143 0.000 1.175 420 R HN 0.507 nan 8.270 nan 0.000 0.464 421 L N 3.351 124.368 121.223 -0.345 0.000 2.305 421 L HA 0.471 4.810 4.340 -0.003 0.000 0.284 421 L C -1.531 175.101 176.870 -0.397 0.000 1.013 421 L CA -0.186 54.332 54.840 -0.536 0.000 0.819 421 L CB 1.587 43.164 42.059 -0.803 0.000 1.227 421 L HN 0.578 nan 8.230 nan 0.000 0.417 422 D N 6.036 126.264 120.400 -0.287 0.000 2.278 422 D HA 0.533 5.171 4.640 -0.003 0.000 0.245 422 D C -0.451 175.807 176.300 -0.069 0.000 1.052 422 D CA 0.196 54.107 54.000 -0.149 0.000 0.834 422 D CB 2.193 42.934 40.800 -0.098 0.000 1.194 422 D HN 0.441 nan 8.370 nan 0.000 0.481 423 I N 1.530 122.051 120.570 -0.082 0.000 2.569 423 I HA 0.400 4.568 4.170 -0.003 0.000 0.296 423 I C 0.118 176.239 176.117 0.006 0.000 1.028 423 I CA -0.810 60.450 61.300 -0.066 0.000 1.082 423 I CB 1.959 39.835 38.000 -0.207 0.000 1.264 423 I HN -0.059 nan 8.210 nan 0.000 0.429 424 R N 4.745 125.278 120.500 0.054 0.000 2.439 424 R HA 0.527 4.865 4.340 -0.003 0.000 0.310 424 R C -1.329 174.913 176.300 -0.096 0.000 0.955 424 R CA -0.962 55.140 56.100 0.004 0.000 0.853 424 R CB 2.430 32.782 30.300 0.086 0.000 1.171 424 R HN 0.372 nan 8.270 nan 0.000 0.449 425 L N 2.207 123.329 121.223 -0.169 0.000 2.275 425 L HA 0.471 4.809 4.340 -0.003 0.000 0.288 425 L C -0.145 176.566 176.870 -0.265 0.000 1.046 425 L CA 0.594 55.246 54.840 -0.314 0.000 0.805 425 L CB 1.664 43.479 42.059 -0.408 0.000 1.193 425 L HN 0.687 nan 8.230 nan 0.000 0.426 426 T N 2.459 116.837 114.554 -0.294 0.000 2.572 426 T HA 0.846 5.194 4.350 -0.003 0.000 0.274 426 T C 0.025 174.579 174.700 -0.244 0.000 0.949 426 T CA 0.127 62.092 62.100 -0.225 0.000 1.126 426 T CB 0.479 69.239 68.868 -0.180 0.000 1.478 426 T HN 1.379 nan 8.240 nan 0.000 0.492 427 G N 0.382 109.046 108.800 -0.226 0.000 2.499 427 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.232 427 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.232 427 G C -0.894 173.870 174.900 -0.226 0.000 1.251 427 G CA -0.105 44.860 45.100 -0.225 0.000 0.917 427 G HN 0.941 nan 8.290 nan 0.000 0.580 428 I N 0.675 121.105 120.570 -0.235 0.000 2.608 428 I HA 0.438 4.606 4.170 -0.003 0.000 0.295 428 I C 0.664 176.667 176.117 -0.191 0.000 1.049 428 I CA -0.930 60.214 61.300 -0.259 0.000 1.063 428 I CB 1.855 39.582 38.000 -0.455 0.000 1.248 428 I HN 0.513 nan 8.210 nan 0.000 0.424 429 L N 4.759 125.976 121.223 -0.011 0.000 2.525 429 L HA 0.026 4.364 4.340 -0.003 0.000 0.278 429 L C 0.890 177.750 176.870 -0.015 0.000 1.218 429 L CA 0.241 55.119 54.840 0.065 0.000 0.878 429 L CB -0.101 42.064 42.059 0.177 0.000 1.127 429 L HN 0.665 nan 8.230 nan 0.000 0.492 430 N N 2.179 120.905 118.700 0.044 0.000 2.483 430 N HA 0.067 4.805 4.740 -0.003 0.000 0.264 430 N C -0.683 174.888 175.510 0.103 0.000 1.197 430 N CA -0.088 53.025 53.050 0.105 0.000 0.927 430 N CB 0.882 39.427 38.487 0.097 0.000 1.065 430 N HN 0.703 nan 8.380 nan 0.000 0.461 431 T N 0.804 115.488 114.554 0.217 0.000 2.907 431 T HA 0.434 4.783 4.350 -0.003 0.000 0.292 431 T C -1.051 173.723 174.700 0.122 0.000 1.043 431 T CA -0.750 61.424 62.100 0.123 0.000 1.003 431 T CB 1.605 70.597 68.868 0.207 0.000 1.084 431 T HN 0.497 nan 8.240 nan 0.000 0.483 432 Y N 1.152 121.311 120.300 -0.236 0.000 2.605 432 Y HA 0.685 5.233 4.550 -0.003 0.000 0.343 432 Y C -0.495 175.311 175.900 -0.158 0.000 1.036 432 Y CA -2.122 55.834 58.100 -0.241 0.000 1.065 432 Y CB 1.498 39.731 38.460 -0.377 0.000 1.288 432 Y HN 0.997 nan 8.280 nan 0.000 0.481 433 I N 4.097 124.044 120.570 -1.038 0.000 2.754 433 I HA 0.225 4.394 4.170 -0.003 0.000 0.285 433 I C -1.272 174.586 176.117 -0.432 0.000 1.166 433 I CA -0.179 60.734 61.300 -0.646 0.000 1.417 433 I CB 0.498 38.129 38.000 -0.615 0.000 1.382 433 I HN 0.596 nan 8.210 nan 0.000 0.588 434 L N 7.061 128.151 121.223 -0.221 0.000 2.385 434 L HA 0.635 4.973 4.340 -0.003 0.000 0.273 434 L C 0.078 176.902 176.870 -0.077 0.000 0.990 434 L CA -0.103 54.677 54.840 -0.100 0.000 0.821 434 L CB 1.525 43.539 42.059 -0.074 0.000 1.279 434 L HN 0.639 nan 8.230 nan 0.000 0.412 435 G N 2.287 111.066 108.800 -0.034 0.000 2.636 435 G HA2 0.097 4.055 3.960 -0.003 0.000 0.246 435 G HA3 0.097 4.055 3.960 -0.003 0.000 0.246 435 G C 0.386 175.275 174.900 -0.018 0.000 1.216 435 G CA -0.122 44.965 45.100 -0.021 0.000 0.854 435 G HN 0.786 nan 8.290 nan 0.000 0.572 436 D N -0.663 119.731 120.400 -0.010 0.000 2.157 436 D HA -0.139 4.500 4.640 -0.003 0.000 0.191 436 D C 1.319 177.614 176.300 -0.008 0.000 1.004 436 D CA 2.074 56.072 54.000 -0.004 0.000 0.854 436 D CB 0.261 41.062 40.800 0.001 0.000 0.936 436 D HN 0.608 nan 8.370 nan 0.000 0.446 437 D N -1.425 118.971 120.400 -0.007 0.000 2.487 437 D HA -0.152 4.487 4.640 -0.003 0.000 0.256 437 D C -0.295 176.008 176.300 0.005 0.000 0.617 437 D CA 0.632 54.633 54.000 0.000 0.000 1.647 437 D CB -1.060 39.741 40.800 0.002 0.000 1.351 437 D HN 0.254 nan 8.370 nan 0.000 0.720 438 E N 1.233 121.438 120.200 0.008 0.000 2.231 438 E HA 0.397 4.745 4.350 -0.003 0.000 0.277 438 E C -0.667 175.943 176.600 0.018 0.000 0.999 438 E CA -0.353 56.062 56.400 0.025 0.000 0.827 438 E CB 1.374 31.099 29.700 0.042 0.000 1.101 438 E HN 0.165 nan 8.360 nan 0.000 0.393 439 E N 2.653 122.867 120.200 0.023 0.000 2.259 439 E HA 0.263 4.611 4.350 -0.003 0.000 0.281 439 E C -0.181 176.438 176.600 0.032 0.000 1.027 439 E CA 0.152 56.557 56.400 0.009 0.000 0.838 439 E CB 1.482 31.177 29.700 -0.010 0.000 1.066 439 E HN 0.542 nan 8.360 nan 0.000 0.401 440 A N 4.077 126.913 122.820 0.026 0.000 1.930 440 A HA 0.205 4.523 4.320 -0.003 0.000 0.215 440 A C 1.304 178.914 177.584 0.043 0.000 1.176 440 A CA 0.851 52.929 52.037 0.069 0.000 0.632 440 A CB -0.761 18.270 19.000 0.052 0.000 0.819 440 A HN 0.652 nan 8.150 nan 0.000 0.445 441 G N -0.438 108.339 108.800 -0.038 0.000 2.569 441 G HA2 0.392 4.350 3.960 -0.003 0.000 0.249 441 G HA3 0.392 4.350 3.960 -0.003 0.000 0.249 441 G C -1.221 173.484 174.900 -0.325 0.000 1.216 441 G CA -0.340 44.674 45.100 -0.143 0.000 0.845 441 G HN 0.216 nan 8.290 nan 0.000 0.568 442 P HA 0.073 nan 4.420 nan 0.000 0.255 442 P C 0.432 177.483 177.300 -0.415 0.000 1.248 442 P CA 0.374 63.102 63.100 -0.620 0.000 0.807 442 P CB 0.159 31.331 31.700 -0.881 0.000 1.150 443 W N 0.492 121.851 121.300 0.099 0.000 3.197 443 W HA 0.420 5.079 4.660 -0.001 0.000 0.274 443 W C 1.018 177.647 176.519 0.183 0.000 1.297 443 W CA -0.096 57.317 57.345 0.113 0.000 1.662 443 W CB 0.370 29.855 29.460 0.043 0.000 1.106 443 W HN -0.021 nan 8.180 nan 0.000 0.663 444 G N -0.542 108.453 108.800 0.325 0.000 2.606 444 G HA2 0.523 4.482 3.960 -0.003 0.000 0.300 444 G HA3 0.523 4.482 3.960 -0.003 0.000 0.300 444 G C -1.444 173.550 174.900 0.155 0.000 1.360 444 G CA -0.619 44.658 45.100 0.295 0.000 0.783 444 G HN -0.298 nan 8.290 nan 0.000 0.484 445 T N 0.104 114.723 114.554 0.107 0.000 2.861 445 T HA 0.468 4.816 4.350 -0.003 0.000 0.287 445 T C -0.017 174.679 174.700 -0.007 0.000 1.003 445 T CA -0.611 61.518 62.100 0.049 0.000 0.977 445 T CB 1.864 70.769 68.868 0.061 0.000 0.996 445 T HN 0.553 nan 8.240 nan 0.000 0.448 446 R N 2.818 123.304 120.500 -0.023 0.000 2.309 446 R HA 0.261 4.600 4.340 -0.003 0.000 0.331 446 R C 1.054 177.310 176.300 -0.073 0.000 1.116 446 R CA -0.157 55.905 56.100 -0.064 0.000 0.970 446 R CB -0.224 30.040 30.300 -0.059 0.000 1.024 446 R HN 0.581 nan 8.270 nan 0.000 0.472 447 V N 2.268 122.099 119.914 -0.138 0.000 3.650 447 V HA 0.275 4.394 4.120 -0.003 0.000 0.271 447 V C -0.229 175.835 176.094 -0.049 0.000 1.281 447 V CA 0.023 62.244 62.300 -0.131 0.000 1.120 447 V CB -0.795 30.870 31.823 -0.263 0.000 0.856 447 V HN 0.682 nan 8.190 nan 0.000 0.443 448 Y N -0.699 119.441 120.300 -0.266 0.000 2.620 448 Y HA 0.575 5.124 4.550 -0.003 0.000 0.331 448 Y C -3.180 172.579 175.900 -0.236 0.000 1.173 448 Y CA -2.263 55.729 58.100 -0.180 0.000 1.076 448 Y CB 1.608 39.992 38.460 -0.127 0.000 1.336 448 Y HN -0.120 nan 8.280 nan 0.000 0.459 449 P HA 0.179 nan 4.420 nan 0.000 0.262 449 P C -0.697 176.347 177.300 -0.427 0.000 1.182 449 P CA 1.338 64.034 63.100 -0.673 0.000 0.761 449 P CB 0.181 31.105 31.700 -1.292 0.000 0.795 450 N N -0.861 117.702 118.700 -0.230 0.000 2.753 450 N HA -0.140 4.598 4.740 -0.003 0.000 0.251 450 N C -0.917 174.504 175.510 -0.149 0.000 1.097 450 N CA 0.226 53.191 53.050 -0.142 0.000 0.786 450 N CB -1.299 37.134 38.487 -0.090 0.000 1.137 450 N HN 0.117 nan 8.380 nan 0.000 0.566 451 V N 0.748 120.573 119.914 -0.148 0.000 2.444 451 V HA 0.392 4.510 4.120 -0.003 0.000 0.294 451 V C -0.162 175.829 176.094 -0.171 0.000 1.022 451 V CA -0.783 61.420 62.300 -0.163 0.000 0.850 451 V CB 1.781 33.475 31.823 -0.215 0.000 0.992 451 V HN 0.193 nan 8.190 nan 0.000 0.426 452 N N 3.841 122.446 118.700 -0.159 0.000 2.446 452 N HA 0.568 5.307 4.740 -0.003 0.000 0.265 452 N C -0.411 174.975 175.510 -0.205 0.000 0.975 452 N CA -0.294 52.676 53.050 -0.133 0.000 0.928 452 N CB 1.883 40.328 38.487 -0.070 0.000 1.160 452 N HN 0.804 nan 8.380 nan 0.000 0.495 453 A N 3.863 126.608 122.820 -0.126 0.000 2.260 453 A HA 0.322 4.641 4.320 -0.003 0.000 0.312 453 A C -0.353 177.280 177.584 0.081 0.000 1.321 453 A CA -0.472 51.526 52.037 -0.065 0.000 0.928 453 A CB -0.291 18.684 19.000 -0.042 0.000 1.158 453 A HN 0.860 nan 8.150 nan 0.000 0.542 454 H N 2.052 121.230 119.070 0.181 0.000 2.707 454 H HA 0.096 4.650 4.556 -0.003 0.000 0.359 454 H C 0.186 175.688 175.328 0.289 0.000 1.113 454 H CA -0.511 55.687 56.048 0.250 0.000 1.422 454 H CB 0.674 30.608 29.762 0.287 0.000 1.443 454 H HN 0.663 nan 8.280 nan 0.000 0.591 455 N N 2.814 121.718 118.700 0.341 0.000 2.441 455 N HA -0.005 4.733 4.740 -0.003 0.000 0.251 455 N C -0.253 175.214 175.510 -0.072 0.000 1.242 455 N CA 0.465 53.555 53.050 0.067 0.000 0.898 455 N CB 0.347 38.915 38.487 0.136 0.000 1.100 455 N HN 0.677 nan 8.380 nan 0.000 0.443 456 H N -1.688 117.103 119.070 -0.465 0.000 3.003 456 H HA 0.345 4.899 4.556 -0.003 0.000 0.327 456 H C -1.315 173.722 175.328 -0.486 0.000 1.353 456 H CA -0.788 54.860 56.048 -0.667 0.000 1.142 456 H CB 0.877 29.767 29.762 -1.454 0.000 1.864 456 H HN 0.397 nan 8.280 nan 0.000 0.529 457 Q N 0.758 120.337 119.800 -0.369 0.000 2.257 457 Q HA 0.365 4.703 4.340 -0.003 0.000 0.262 457 Q C -0.692 175.155 176.000 -0.254 0.000 0.997 457 Q CA -0.949 54.697 55.803 -0.260 0.000 0.873 457 Q CB 2.261 30.902 28.738 -0.162 0.000 1.312 457 Q HN 0.530 nan 8.270 nan 0.000 0.450 458 H N 1.824 120.881 119.070 -0.022 0.000 2.587 458 H HA 0.427 4.981 4.556 -0.003 0.000 0.325 458 H C -0.825 174.381 175.328 -0.203 0.000 1.012 458 H CA -0.293 55.718 56.048 -0.063 0.000 1.213 458 H CB 0.872 30.709 29.762 0.124 0.000 1.431 458 H HN 0.349 nan 8.280 nan 0.000 0.492 459 L N 3.873 124.929 121.223 -0.279 0.000 2.362 459 L HA 0.493 4.831 4.340 -0.003 0.000 0.271 459 L C -0.838 175.782 176.870 -0.416 0.000 1.002 459 L CA -0.764 53.953 54.840 -0.205 0.000 0.818 459 L CB 1.637 43.670 42.059 -0.044 0.000 1.298 459 L HN 0.384 nan 8.230 nan 0.000 0.420 460 F N -0.065 119.733 119.950 -0.253 0.000 2.563 460 F HA 0.429 4.954 4.527 -0.003 0.000 0.316 460 F C 0.239 175.850 175.800 -0.315 0.000 1.076 460 F CA -0.759 57.001 58.000 -0.401 0.000 0.921 460 F CB 2.257 40.717 39.000 -0.901 0.000 1.209 460 F HN 0.251 nan 8.300 nan 0.000 0.462 461 S N 3.153 118.725 115.700 -0.213 0.000 2.532 461 S HA 0.459 4.928 4.470 -0.003 0.000 0.318 461 S C -1.090 173.564 174.600 0.090 0.000 1.083 461 S CA -0.556 57.530 58.200 -0.190 0.000 1.131 461 S CB 0.124 62.825 63.200 -0.832 0.000 0.973 461 S HN 0.550 nan 8.310 nan 0.000 0.468 462 L N 5.925 127.325 121.223 0.295 0.000 2.360 462 L HA 0.502 4.840 4.340 -0.003 0.000 0.276 462 L C 0.258 177.168 176.870 0.066 0.000 1.121 462 L CA 0.307 55.307 54.840 0.267 0.000 0.845 462 L CB 0.533 42.802 42.059 0.350 0.000 1.143 462 L HN 0.682 nan 8.230 nan 0.000 0.452 463 R N 6.421 126.850 120.500 -0.118 0.000 2.265 463 R HA 0.545 4.883 4.340 -0.003 0.000 0.328 463 R C -1.388 174.682 176.300 -0.383 0.000 0.969 463 R CA -0.513 55.277 56.100 -0.516 0.000 0.832 463 R CB 0.536 30.477 30.300 -0.599 0.000 1.139 463 R HN 0.767 nan 8.270 nan 0.000 0.457 464 I N 3.593 123.947 120.570 -0.360 0.000 2.362 464 I HA 0.175 4.343 4.170 -0.003 0.000 0.289 464 I C -0.552 175.448 176.117 -0.196 0.000 0.994 464 I CA -0.736 60.369 61.300 -0.325 0.000 1.158 464 I CB 1.830 39.610 38.000 -0.366 0.000 1.315 464 I HN 0.505 nan 8.210 nan 0.000 0.451 465 D N 9.639 129.956 120.400 -0.138 0.000 2.473 465 D HA 0.335 4.973 4.640 -0.003 0.000 0.226 465 D C -2.547 173.812 176.300 0.098 0.000 1.089 465 D CA -2.073 51.932 54.000 0.010 0.000 0.883 465 D CB 1.388 42.226 40.800 0.064 0.000 1.029 465 D HN 0.142 nan 8.370 nan 0.000 0.517 466 P HA 0.371 nan 4.420 nan 0.000 0.282 466 P C -0.536 176.839 177.300 0.126 0.000 1.259 466 P CA -0.638 62.614 63.100 0.254 0.000 0.826 466 P CB 1.320 33.147 31.700 0.212 0.000 1.064 467 R N 1.724 122.278 120.500 0.090 0.000 2.570 467 R HA 0.260 4.598 4.340 -0.003 0.000 0.246 467 R C -0.398 175.909 176.300 0.012 0.000 1.417 467 R CA -0.353 55.769 56.100 0.037 0.000 1.525 467 R CB -0.082 30.254 30.300 0.059 0.000 1.403 467 R HN 0.292 nan 8.270 nan 0.000 0.754 468 I N 2.685 123.267 120.570 0.020 0.000 2.680 468 I HA -0.006 4.162 4.170 -0.003 0.000 0.286 468 I C 0.566 176.774 176.117 0.151 0.000 1.144 468 I CA 0.846 62.192 61.300 0.077 0.000 1.370 468 I CB 0.033 38.118 38.000 0.142 0.000 1.420 468 I HN 0.623 nan 8.210 nan 0.000 0.540 469 D N 4.983 125.518 120.400 0.225 0.000 2.911 469 D HA -0.161 4.477 4.640 -0.003 0.000 0.227 469 D C 0.654 176.967 176.300 0.022 0.000 1.164 469 D CA 1.632 55.674 54.000 0.070 0.000 0.782 469 D CB -0.659 40.071 40.800 -0.117 0.000 1.094 469 D HN 1.165 nan 8.370 nan 0.000 0.425 470 G N -1.131 107.692 108.800 0.039 0.000 2.396 470 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.254 470 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.254 470 G C -1.135 173.768 174.900 0.004 0.000 1.248 470 G CA -0.200 44.909 45.100 0.016 0.000 1.033 470 G HN 0.213 nan 8.290 nan 0.000 0.502 471 D N 1.107 121.501 120.400 -0.010 0.000 2.225 471 D HA 0.548 5.186 4.640 -0.003 0.000 0.249 471 D C 0.750 177.038 176.300 -0.020 0.000 1.052 471 D CA 1.390 55.376 54.000 -0.023 0.000 0.909 471 D CB 1.167 41.948 40.800 -0.033 0.000 1.186 471 D HN 2.048 nan 8.370 nan 0.000 0.431 472 G N 1.652 110.437 108.800 -0.026 0.000 2.897 472 G HA2 -0.165 3.794 3.960 -0.003 0.000 0.436 472 G HA3 -0.165 3.794 3.960 -0.003 0.000 0.436 472 G C -0.731 174.142 174.900 -0.046 0.000 1.079 472 G CA -0.765 44.319 45.100 -0.027 0.000 1.090 472 G HN 0.576 nan 8.290 nan 0.000 0.480 473 N N -0.123 118.538 118.700 -0.065 0.000 2.469 473 N HA 0.840 5.578 4.740 -0.003 0.000 0.286 473 N C -0.367 175.010 175.510 -0.221 0.000 1.275 473 N CA -0.809 52.161 53.050 -0.134 0.000 0.790 473 N CB 2.001 40.451 38.487 -0.061 0.000 1.446 473 N HN 0.412 nan 8.380 nan 0.000 0.501 474 S N -0.261 115.141 115.700 -0.498 0.000 2.651 474 S HA 0.839 5.307 4.470 -0.003 0.000 0.279 474 S C -1.290 173.035 174.600 -0.458 0.000 1.148 474 S CA -0.709 57.179 58.200 -0.520 0.000 0.837 474 S CB 1.947 64.666 63.200 -0.802 0.000 1.138 474 S HN 0.676 nan 8.310 nan 0.000 0.478 475 A N 0.226 123.012 122.820 -0.057 0.000 2.469 475 A HA 1.008 5.326 4.320 -0.003 0.000 0.299 475 A C -0.980 176.580 177.584 -0.040 0.000 1.098 475 A CA -0.611 51.552 52.037 0.211 0.000 0.737 475 A CB 1.518 20.866 19.000 0.580 0.000 1.312 475 A HN 1.413 nan 8.150 nan 0.000 0.414 476 A N -0.324 122.428 122.820 -0.113 0.000 2.594 476 A HA 0.857 5.175 4.320 -0.003 0.000 0.295 476 A C -0.337 177.070 177.584 -0.295 0.000 1.071 476 A CA 0.034 51.758 52.037 -0.522 0.000 0.685 476 A CB 1.005 19.979 19.000 -0.043 0.000 1.285 476 A HN 2.437 nan 8.150 nan 0.000 0.405 477 A N -0.093 122.542 122.820 -0.309 0.000 2.310 477 A HA 0.608 4.927 4.320 -0.003 0.000 0.299 477 A C -0.311 177.186 177.584 -0.145 0.000 1.147 477 A CA -0.305 51.657 52.037 -0.124 0.000 0.818 477 A CB 0.157 19.199 19.000 0.069 0.000 1.096 477 A HN 1.262 nan 8.150 nan 0.000 0.495 478 C N 2.148 121.325 119.300 -0.205 0.000 2.340 478 C HA 0.619 5.077 4.460 -0.003 0.000 0.323 478 C C -0.885 174.006 174.990 -0.164 0.000 1.260 478 C CA -0.832 58.105 59.018 -0.135 0.000 1.464 478 C CB 0.397 28.087 27.740 -0.083 0.000 2.156 478 C HN 0.796 nan 8.230 nan 0.000 0.476 479 D N 2.201 122.519 120.400 -0.138 0.000 2.502 479 D HA 0.493 5.132 4.640 -0.003 0.000 0.249 479 D C -0.283 175.909 176.300 -0.179 0.000 1.092 479 D CA 0.122 54.027 54.000 -0.159 0.000 0.839 479 D CB 2.169 42.885 40.800 -0.141 0.000 1.264 479 D HN 0.686 nan 8.370 nan 0.000 0.511 480 A N 3.028 125.749 122.820 -0.164 0.000 2.409 480 A HA 0.407 4.725 4.320 -0.003 0.000 0.262 480 A C 0.132 177.574 177.584 -0.236 0.000 1.113 480 A CA 0.054 51.987 52.037 -0.174 0.000 0.790 480 A CB 0.428 19.338 19.000 -0.150 0.000 1.046 480 A HN 0.423 nan 8.150 nan 0.000 0.496 481 K N 1.904 122.107 120.400 -0.328 0.000 2.501 481 K HA 0.390 4.708 4.320 -0.003 0.000 0.252 481 K C -0.717 175.810 176.600 -0.122 0.000 0.934 481 K CA -0.568 55.537 56.287 -0.304 0.000 0.797 481 K CB 2.240 34.454 32.500 -0.476 0.000 1.270 481 K HN 0.669 nan 8.250 nan 0.000 0.431 482 S N 0.999 116.713 115.700 0.024 0.000 2.573 482 S HA -0.011 4.457 4.470 -0.003 0.000 0.277 482 S C 0.396 175.173 174.600 0.296 0.000 1.346 482 S CA -0.212 58.095 58.200 0.178 0.000 1.034 482 S CB 1.033 64.301 63.200 0.114 0.000 0.879 482 S HN 0.603 nan 8.310 nan 0.000 0.528 483 S N 2.766 118.681 115.700 0.360 0.000 2.558 483 S HA 0.048 4.517 4.470 -0.003 0.000 0.291 483 S C -1.075 173.656 174.600 0.218 0.000 1.306 483 S CA -1.042 57.363 58.200 0.342 0.000 1.056 483 S CB 0.262 63.631 63.200 0.282 0.000 0.836 483 S HN 0.562 nan 8.310 nan 0.000 0.504 484 P HA -0.007 nan 4.420 nan 0.000 0.226 484 P C -0.312 176.910 177.300 -0.130 0.000 1.153 484 P CA 0.698 63.767 63.100 -0.050 0.000 0.777 484 P CB -0.086 31.502 31.700 -0.187 0.000 0.794 485 Y N 2.387 122.715 120.300 0.046 0.000 2.359 485 Y HA 0.217 4.765 4.550 -0.003 0.000 0.330 485 Y C -1.412 174.507 175.900 0.032 0.000 1.143 485 Y CA -2.380 55.737 58.100 0.028 0.000 1.318 485 Y CB -0.382 38.087 38.460 0.014 0.000 1.234 485 Y HN 0.018 nan 8.280 nan 0.000 0.522 486 P HA 0.075 nan 4.420 nan 0.000 0.276 486 P C -0.711 176.641 177.300 0.087 0.000 1.252 486 P CA -0.612 62.547 63.100 0.098 0.000 0.802 486 P CB 1.033 32.772 31.700 0.065 0.000 1.035 487 L N 1.127 122.386 121.223 0.060 0.000 2.578 487 L HA 0.208 4.547 4.340 -0.003 0.000 0.279 487 L C 1.429 178.298 176.870 -0.001 0.000 1.227 487 L CA 2.225 57.084 54.840 0.032 0.000 0.900 487 L CB -1.154 40.922 42.059 0.029 0.000 1.144 487 L HN 0.857 nan 8.230 nan 0.000 0.496 488 G N 2.205 110.976 108.800 -0.049 0.000 2.179 488 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.260 488 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.260 488 G C 0.289 175.154 174.900 -0.058 0.000 0.977 488 G CA 0.406 45.455 45.100 -0.084 0.000 0.641 488 G HN 1.206 nan 8.290 nan 0.000 0.533 489 S N -0.033 115.655 115.700 -0.021 0.000 2.617 489 S HA 0.635 5.104 4.470 -0.003 0.000 0.269 489 S C -0.805 173.759 174.600 -0.060 0.000 1.292 489 S CA -0.626 57.566 58.200 -0.013 0.000 1.010 489 S CB 2.199 65.433 63.200 0.056 0.000 0.944 489 S HN -0.033 nan 8.310 nan 0.000 0.536 490 P HA -0.092 nan 4.420 nan 0.000 0.217 490 P C 0.739 177.963 177.300 -0.127 0.000 1.148 490 P CA 1.251 64.295 63.100 -0.094 0.000 0.828 490 P CB -0.001 31.642 31.700 -0.095 0.000 0.783 491 E N -2.021 118.054 120.200 -0.208 0.000 2.371 491 E HA -0.018 4.330 4.350 -0.003 0.000 0.194 491 E C 0.677 177.204 176.600 -0.122 0.000 1.012 491 E CA 0.574 56.797 56.400 -0.295 0.000 0.860 491 E CB -0.291 28.923 29.700 -0.809 0.000 0.811 491 E HN 0.091 nan 8.360 nan 0.000 0.502 492 N N -0.375 118.304 118.700 -0.036 0.000 2.639 492 N HA 0.080 4.818 4.740 -0.003 0.000 0.265 492 N C 0.128 175.654 175.510 0.026 0.000 1.689 492 N CA -0.014 53.064 53.050 0.047 0.000 0.813 492 N CB 0.068 38.627 38.487 0.120 0.000 1.353 492 N HN -0.060 nan 8.380 nan 0.000 0.510 493 M N 0.262 119.851 119.600 -0.018 0.000 2.082 493 M HA -0.027 4.451 4.480 -0.003 0.000 0.258 493 M C 0.196 176.320 176.300 -0.294 0.000 1.069 493 M CA 2.039 57.223 55.300 -0.193 0.000 1.102 493 M CB -0.259 32.156 32.600 -0.308 0.000 1.336 493 M HN 0.367 nan 8.290 nan 0.000 0.404 494 Y N -0.738 119.577 120.300 0.025 0.000 2.485 494 Y HA 0.445 4.993 4.550 -0.003 0.000 0.260 494 Y C 1.457 177.384 175.900 0.045 0.000 1.173 494 Y CA 0.100 58.219 58.100 0.031 0.000 1.252 494 Y CB -0.153 38.323 38.460 0.026 0.000 1.123 494 Y HN 0.446 nan 8.280 nan 0.000 0.524 495 G N 1.312 110.205 108.800 0.155 0.000 2.153 495 G HA2 -0.377 3.582 3.960 -0.003 0.000 0.252 495 G HA3 -0.377 3.582 3.960 -0.003 0.000 0.252 495 G C 0.953 175.947 174.900 0.156 0.000 0.994 495 G CA 0.714 45.894 45.100 0.133 0.000 0.698 495 G HN 0.554 nan 8.290 nan 0.000 0.521 496 N N 0.142 118.948 118.700 0.177 0.000 2.299 496 N HA 0.403 5.142 4.740 -0.003 0.000 0.187 496 N C 1.032 176.678 175.510 0.227 0.000 1.099 496 N CA 0.752 53.917 53.050 0.191 0.000 0.867 496 N CB 0.008 38.589 38.487 0.156 0.000 0.974 496 N HN 1.017 nan 8.380 nan 0.000 0.477 497 A N 0.963 123.892 122.820 0.182 0.000 2.477 497 A HA 0.459 4.777 4.320 -0.003 0.000 0.246 497 A C -0.399 177.356 177.584 0.285 0.000 1.078 497 A CA -0.315 51.810 52.037 0.146 0.000 0.770 497 A CB -0.458 18.615 19.000 0.121 0.000 1.011 497 A HN 0.485 nan 8.150 nan 0.000 0.494 498 F N 0.630 120.669 119.950 0.149 0.000 2.668 498 F HA 0.769 5.295 4.527 -0.002 0.000 0.309 498 F C -1.006 174.927 175.800 0.222 0.000 1.117 498 F CA -1.341 56.761 58.000 0.169 0.000 0.951 498 F CB 1.091 40.125 39.000 0.057 0.000 1.323 498 F HN 0.778 nan 8.300 nan 0.000 0.451 499 Y N -0.536 119.924 120.300 0.267 0.000 2.728 499 Y HA 0.776 5.325 4.550 -0.003 0.000 0.330 499 Y C -1.470 174.535 175.900 0.175 0.000 1.234 499 Y CA -1.726 56.449 58.100 0.125 0.000 1.070 499 Y CB 1.097 39.587 38.460 0.050 0.000 1.300 499 Y HN 0.795 nan 8.280 nan 0.000 0.467 500 S N 0.946 116.707 115.700 0.101 0.000 2.438 500 S HA 0.262 4.730 4.470 -0.003 0.000 0.316 500 S C -0.988 173.632 174.600 0.033 0.000 1.084 500 S CA -0.623 57.563 58.200 -0.023 0.000 1.107 500 S CB 0.272 63.499 63.200 0.046 0.000 0.981 500 S HN 0.711 nan 8.310 nan 0.000 0.466 501 E N 4.134 124.267 120.200 -0.113 0.000 2.152 501 E HA 0.190 4.538 4.350 -0.003 0.000 0.285 501 E C -0.597 176.009 176.600 0.010 0.000 1.043 501 E CA -0.354 56.079 56.400 0.055 0.000 0.839 501 E CB 0.536 30.246 29.700 0.017 0.000 1.069 501 E HN 0.519 nan 8.360 nan 0.000 0.399 502 K N 3.639 124.054 120.400 0.025 0.000 2.263 502 K HA 0.223 4.541 4.320 -0.003 0.000 0.272 502 K C -1.209 175.386 176.600 -0.008 0.000 1.033 502 K CA -0.381 55.887 56.287 -0.031 0.000 0.884 502 K CB 1.175 33.625 32.500 -0.083 0.000 1.107 502 K HN 0.332 nan 8.250 nan 0.000 0.460 503 T N 3.452 117.999 114.554 -0.012 0.000 2.853 503 T HA 0.140 4.489 4.350 -0.003 0.000 0.317 503 T C -0.483 174.196 174.700 -0.035 0.000 1.059 503 T CA -0.416 61.707 62.100 0.039 0.000 0.954 503 T CB 0.991 69.933 68.868 0.122 0.000 0.994 503 T HN 0.478 nan 8.240 nan 0.000 0.479 504 T N 4.493 119.064 114.554 0.030 0.000 2.851 504 T HA 0.288 4.636 4.350 -0.003 0.000 0.298 504 T C 0.084 174.888 174.700 0.173 0.000 0.977 504 T CA -0.233 61.906 62.100 0.065 0.000 1.126 504 T CB -0.091 68.903 68.868 0.210 0.000 0.916 504 T HN 0.253 nan 8.240 nan 0.000 0.529 505 F N 3.535 123.614 119.950 0.216 0.000 2.472 505 F HA 0.318 4.843 4.527 -0.003 0.000 0.364 505 F C 1.505 177.376 175.800 0.119 0.000 1.090 505 F CA -1.096 56.997 58.000 0.155 0.000 1.188 505 F CB 0.605 39.698 39.000 0.155 0.000 1.105 505 F HN 0.419 nan 8.300 nan 0.000 0.536 506 K N 0.915 121.486 120.400 0.286 0.000 2.168 506 K HA 0.077 4.396 4.320 -0.003 0.000 0.201 506 K C 0.812 177.495 176.600 0.138 0.000 1.049 506 K CA 0.842 57.235 56.287 0.177 0.000 0.974 506 K CB -0.047 32.535 32.500 0.137 0.000 0.792 506 K HN 0.701 nan 8.250 nan 0.000 0.463 507 T N -2.685 111.940 114.554 0.118 0.000 2.930 507 T HA 0.339 4.687 4.350 -0.003 0.000 0.290 507 T C 1.455 176.177 174.700 0.037 0.000 1.052 507 T CA -0.798 61.345 62.100 0.071 0.000 1.017 507 T CB 1.755 70.652 68.868 0.048 0.000 1.137 507 T HN -0.229 nan 8.240 nan 0.000 0.511 508 V N 1.337 121.261 119.914 0.016 0.000 2.278 508 V HA -0.218 3.901 4.120 -0.003 0.000 0.251 508 V C 2.868 178.901 176.094 -0.102 0.000 1.062 508 V CA 2.489 64.772 62.300 -0.029 0.000 1.038 508 V CB -0.911 30.910 31.823 -0.003 0.000 0.646 508 V HN 1.047 nan 8.190 nan 0.000 0.447 509 K N -0.203 120.153 120.400 -0.072 0.000 2.113 509 K HA -0.268 4.050 4.320 -0.003 0.000 0.208 509 K C 1.799 178.307 176.600 -0.154 0.000 1.047 509 K CA 2.031 58.257 56.287 -0.102 0.000 0.928 509 K CB -0.288 32.183 32.500 -0.047 0.000 0.716 509 K HN 0.494 nan 8.250 nan 0.000 0.446 510 D N 0.028 120.356 120.400 -0.119 0.000 2.218 510 D HA -0.131 4.507 4.640 -0.003 0.000 0.204 510 D C 1.911 177.896 176.300 -0.524 0.000 0.976 510 D CA 1.561 55.488 54.000 -0.121 0.000 0.853 510 D CB -0.101 40.754 40.800 0.091 0.000 0.939 510 D HN 0.380 nan 8.370 nan 0.000 0.481 511 S N -0.135 115.085 115.700 -0.800 0.000 2.489 511 S HA -0.018 4.450 4.470 -0.003 0.000 0.228 511 S C 1.177 175.293 174.600 -0.805 0.000 0.995 511 S CA -0.121 57.163 58.200 -1.526 0.000 0.934 511 S CB -0.393 62.308 63.200 -0.833 0.000 0.771 511 S HN 0.155 nan 8.310 nan 0.000 0.522 512 L N 3.747 124.653 121.223 -0.529 0.000 2.462 512 L HA 0.320 4.658 4.340 -0.003 0.000 0.283 512 L C 0.162 176.843 176.870 -0.316 0.000 1.166 512 L CA -0.229 54.269 54.840 -0.570 0.000 0.964 512 L CB -0.642 40.908 42.059 -0.850 0.000 1.294 512 L HN 0.368 nan 8.230 nan 0.000 0.449 513 T N -1.089 113.458 114.554 -0.012 0.000 2.903 513 T HA 0.524 4.873 4.350 -0.003 0.000 0.299 513 T C -0.434 174.553 174.700 0.479 0.000 1.093 513 T CA -1.089 61.191 62.100 0.299 0.000 1.002 513 T CB 2.366 71.534 68.868 0.500 0.000 1.127 513 T HN 0.194 nan 8.240 nan 0.000 0.488 514 N N 0.312 119.306 118.700 0.489 0.000 2.384 514 N HA 0.351 5.090 4.740 -0.003 0.000 0.301 514 N C -1.156 174.733 175.510 0.632 0.000 1.133 514 N CA -0.659 52.695 53.050 0.507 0.000 0.853 514 N CB 1.227 39.900 38.487 0.311 0.000 1.241 514 N HN 0.761 nan 8.380 nan 0.000 0.502 515 Y N 1.119 121.790 120.300 0.619 0.000 2.702 515 Y HA -0.031 4.518 4.550 -0.003 0.000 0.336 515 Y C -0.157 175.877 175.900 0.222 0.000 1.235 515 Y CA 0.649 59.035 58.100 0.476 0.000 1.492 515 Y CB 0.454 39.205 38.460 0.485 0.000 1.308 515 Y HN 0.308 nan 8.280 nan 0.000 0.589 516 E N 3.717 123.418 120.200 -0.831 0.000 2.244 516 E HA 0.134 4.483 4.350 -0.003 0.000 0.260 516 E C 0.452 176.517 176.600 -0.891 0.000 0.884 516 E CA 0.027 56.053 56.400 -0.624 0.000 0.777 516 E CB 1.605 31.129 29.700 -0.293 0.000 1.197 516 E HN 0.782 nan 8.360 nan 0.000 0.416 517 S N 1.640 116.990 115.700 -0.583 0.000 2.419 517 S HA -0.153 4.315 4.470 -0.003 0.000 0.233 517 S C 1.819 176.314 174.600 -0.175 0.000 1.016 517 S CA 0.940 58.975 58.200 -0.275 0.000 0.974 517 S CB -0.063 63.127 63.200 -0.017 0.000 0.786 517 S HN 0.477 nan 8.310 nan 0.000 0.492 518 A N 1.775 124.495 122.820 -0.166 0.000 2.070 518 A HA 0.025 4.344 4.320 -0.003 0.000 0.220 518 A C 2.247 179.751 177.584 -0.134 0.000 1.159 518 A CA 1.679 53.646 52.037 -0.117 0.000 0.656 518 A CB -0.882 18.063 19.000 -0.091 0.000 0.800 518 A HN 0.783 nan 8.150 nan 0.000 0.453 519 T N -5.573 108.874 114.554 -0.178 0.000 3.091 519 T HA 0.430 4.778 4.350 -0.003 0.000 0.277 519 T C 1.072 175.674 174.700 -0.164 0.000 0.996 519 T CA 0.887 62.885 62.100 -0.171 0.000 0.897 519 T CB -0.024 68.739 68.868 -0.174 0.000 1.109 519 T HN 1.617 nan 8.240 nan 0.000 0.534 520 G N 2.776 111.484 108.800 -0.154 0.000 2.366 520 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.299 520 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.299 520 G C 0.011 174.902 174.900 -0.016 0.000 1.020 520 G CA 0.283 45.366 45.100 -0.028 0.000 1.026 520 G HN 0.927 nan 8.290 nan 0.000 0.512 521 R N 0.079 120.475 120.500 -0.173 0.000 2.585 521 R HA 0.373 4.711 4.340 -0.003 0.000 0.275 521 R C 0.913 177.089 176.300 -0.207 0.000 1.018 521 R CA 0.839 56.775 56.100 -0.273 0.000 1.072 521 R CB 0.256 30.265 30.300 -0.485 0.000 0.953 521 R HN 0.623 nan 8.270 nan 0.000 0.419 522 S N 3.755 119.265 115.700 -0.317 0.000 2.709 522 S HA 0.608 5.076 4.470 -0.003 0.000 0.302 522 S C -1.128 173.291 174.600 -0.301 0.000 1.127 522 S CA -1.021 57.071 58.200 -0.181 0.000 0.905 522 S CB 1.389 64.602 63.200 0.022 0.000 1.151 522 S HN 0.631 nan 8.310 nan 0.000 0.510 523 W N 0.491 121.896 121.300 0.175 0.000 2.819 523 W HA 0.429 5.088 4.660 -0.003 0.000 0.337 523 W C -1.395 175.216 176.519 0.154 0.000 1.077 523 W CA -0.451 57.030 57.345 0.226 0.000 1.226 523 W CB 2.102 31.832 29.460 0.449 0.000 1.419 523 W HN 0.617 nan 8.180 nan 0.000 0.502 524 D N 2.085 122.709 120.400 0.373 0.000 2.185 524 D HA 0.532 5.170 4.640 -0.003 0.000 0.247 524 D C -0.418 176.119 176.300 0.395 0.000 1.027 524 D CA -0.336 53.854 54.000 0.317 0.000 0.861 524 D CB 2.131 43.085 40.800 0.256 0.000 1.202 524 D HN 0.085 nan 8.370 nan 0.000 0.453 525 I N 2.963 123.714 120.570 0.302 0.000 2.389 525 I HA 0.436 4.604 4.170 -0.003 0.000 0.288 525 I C -0.631 175.680 176.117 0.324 0.000 0.999 525 I CA -0.915 60.530 61.300 0.243 0.000 1.129 525 I CB 0.568 38.625 38.000 0.094 0.000 1.288 525 I HN 0.239 nan 8.210 nan 0.000 0.444 526 F N 3.906 123.931 119.950 0.125 0.000 2.664 526 F HA 0.577 5.102 4.527 -0.003 0.000 0.317 526 F C -0.919 174.936 175.800 0.090 0.000 1.108 526 F CA -1.121 56.946 58.000 0.111 0.000 0.957 526 F CB 1.250 40.299 39.000 0.082 0.000 1.365 526 F HN 0.205 nan 8.300 nan 0.000 0.475 527 N N 2.473 121.323 118.700 0.251 0.000 2.558 527 N HA 0.381 5.119 4.740 -0.003 0.000 0.242 527 N C -2.172 173.457 175.510 0.199 0.000 0.979 527 N CA -2.644 50.472 53.050 0.110 0.000 0.931 527 N CB 1.490 40.025 38.487 0.080 0.000 1.122 527 N HN 0.410 nan 8.380 nan 0.000 0.508 528 P HA 0.024 nan 4.420 nan 0.000 0.242 528 P C 0.161 177.529 177.300 0.113 0.000 1.197 528 P CA 0.576 63.819 63.100 0.238 0.000 0.765 528 P CB 0.457 32.285 31.700 0.214 0.000 0.936 529 N N -0.030 118.710 118.700 0.066 0.000 2.398 529 N HA 0.051 4.789 4.740 -0.003 0.000 0.188 529 N C 0.538 176.059 175.510 0.019 0.000 1.122 529 N CA 0.563 53.633 53.050 0.033 0.000 0.866 529 N CB 0.501 38.997 38.487 0.015 0.000 0.970 529 N HN 0.351 nan 8.380 nan 0.000 0.462 530 K N 0.140 120.555 120.400 0.025 0.000 2.444 530 K HA 0.554 4.872 4.320 -0.003 0.000 0.252 530 K C -1.355 175.243 176.600 -0.004 0.000 0.993 530 K CA -0.670 55.613 56.287 -0.007 0.000 0.847 530 K CB 3.339 35.817 32.500 -0.037 0.000 1.340 530 K HN -0.292 nan 8.250 nan 0.000 0.446 531 V N 1.422 121.317 119.914 -0.031 0.000 2.808 531 V HA 0.248 4.366 4.120 -0.003 0.000 0.308 531 V C -1.234 174.829 176.094 -0.053 0.000 1.099 531 V CA -0.872 61.409 62.300 -0.032 0.000 0.920 531 V CB 2.004 33.813 31.823 -0.022 0.000 1.014 531 V HN 0.789 nan 8.190 nan 0.000 0.425 532 N N 7.595 126.271 118.700 -0.040 0.000 2.475 532 N HA 0.231 4.970 4.740 -0.003 0.000 0.267 532 N C -1.711 173.780 175.510 -0.032 0.000 1.169 532 N CA -1.080 51.944 53.050 -0.043 0.000 0.947 532 N CB 2.040 40.551 38.487 0.041 0.000 1.061 532 N HN 0.491 nan 8.380 nan 0.000 0.466 533 P HA -0.080 nan 4.420 nan 0.000 0.229 533 P C 0.547 177.927 177.300 0.133 0.000 1.160 533 P CA 1.042 64.118 63.100 -0.040 0.000 0.777 533 P CB 0.177 31.799 31.700 -0.130 0.000 0.814 534 Y N 1.307 121.615 120.300 0.014 0.000 2.190 534 Y HA -0.023 4.526 4.550 -0.003 0.000 0.290 534 Y C 2.869 178.785 175.900 0.026 0.000 1.115 534 Y CA 1.062 59.172 58.100 0.017 0.000 1.107 534 Y CB -1.446 37.027 38.460 0.021 0.000 1.033 534 Y HN 0.058 nan 8.280 nan 0.000 0.502 535 S N -1.105 114.734 115.700 0.233 0.000 2.496 535 S HA 0.199 4.668 4.470 -0.003 0.000 0.224 535 S C 1.870 176.504 174.600 0.056 0.000 0.996 535 S CA 0.610 58.908 58.200 0.164 0.000 0.927 535 S CB -0.348 63.036 63.200 0.306 0.000 0.774 535 S HN 0.647 nan 8.310 nan 0.000 0.524 536 G N 1.145 109.968 108.800 0.038 0.000 2.148 536 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.254 536 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.254 536 G C -0.055 174.800 174.900 -0.075 0.000 0.981 536 G CA 0.430 45.522 45.100 -0.014 0.000 0.670 536 G HN 0.512 nan 8.290 nan 0.000 0.528 537 K N 0.744 121.063 120.400 -0.136 0.000 2.118 537 K HA 0.543 4.862 4.320 -0.003 0.000 0.254 537 K C -2.294 174.213 176.600 -0.155 0.000 0.961 537 K CA -2.377 53.748 56.287 -0.270 0.000 0.876 537 K CB 1.612 33.679 32.500 -0.722 0.000 1.077 537 K HN 0.122 nan 8.250 nan 0.000 0.440 538 P HA 0.134 nan 4.420 nan 0.000 0.271 538 P C -2.500 174.837 177.300 0.061 0.000 1.218 538 P CA -1.309 61.794 63.100 0.005 0.000 0.780 538 P CB -0.258 31.512 31.700 0.116 0.000 0.901 539 P HA 0.041 nan 4.420 nan 0.000 0.268 539 P C -0.234 177.243 177.300 0.294 0.000 1.205 539 P CA 0.428 63.606 63.100 0.129 0.000 0.771 539 P CB 0.462 32.118 31.700 -0.075 0.000 0.858 540 S N 1.982 117.887 115.700 0.341 0.000 2.579 540 S HA 0.572 5.040 4.470 -0.003 0.000 0.272 540 S C -1.573 173.176 174.600 0.250 0.000 1.141 540 S CA -0.742 57.662 58.200 0.339 0.000 0.843 540 S CB 1.061 64.426 63.200 0.276 0.000 1.122 540 S HN 0.316 nan 8.310 nan 0.000 0.468 541 Y N 0.823 121.163 120.300 0.067 0.000 2.377 541 Y HA 0.564 5.112 4.550 -0.003 0.000 0.339 541 Y C 0.325 176.266 175.900 0.069 0.000 1.011 541 Y CA -0.562 57.544 58.100 0.010 0.000 1.093 541 Y CB 1.843 40.285 38.460 -0.030 0.000 1.201 541 Y HN 0.759 nan 8.280 nan 0.000 0.455 542 K N 4.274 124.730 120.400 0.093 0.000 2.235 542 K HA 0.382 4.700 4.320 -0.003 0.000 0.266 542 K C -1.466 175.194 176.600 0.100 0.000 0.980 542 K CA -0.932 55.419 56.287 0.108 0.000 0.849 542 K CB 0.932 33.471 32.500 0.066 0.000 1.098 542 K HN 0.609 nan 8.250 nan 0.000 0.445 543 L N 5.667 126.961 121.223 0.119 0.000 2.315 543 L HA 0.239 4.578 4.340 -0.003 0.000 0.283 543 L C -1.329 175.635 176.870 0.156 0.000 1.089 543 L CA 0.047 54.933 54.840 0.078 0.000 0.833 543 L CB 1.085 43.145 42.059 0.002 0.000 1.170 543 L HN 0.346 nan 8.230 nan 0.000 0.442 544 V N 4.967 124.923 119.914 0.070 0.000 2.326 544 V HA 0.611 4.730 4.120 -0.003 0.000 0.281 544 V C -0.086 176.023 176.094 0.025 0.000 1.015 544 V CA -0.266 62.075 62.300 0.068 0.000 0.823 544 V CB 0.969 32.812 31.823 0.033 0.000 1.009 544 V HN 0.842 nan 8.190 nan 0.000 0.436 545 S N 2.814 118.547 115.700 0.055 0.000 2.652 545 S HA 0.410 4.878 4.470 -0.003 0.000 0.273 545 S C 0.465 174.991 174.600 -0.124 0.000 1.172 545 S CA 0.209 58.426 58.200 0.029 0.000 1.009 545 S CB 1.672 64.965 63.200 0.155 0.000 1.094 545 S HN 0.943 nan 8.310 nan 0.000 0.471 546 T N 1.374 115.790 114.554 -0.230 0.000 2.985 546 T HA 0.287 4.635 4.350 -0.003 0.000 0.254 546 T C 0.433 175.004 174.700 -0.215 0.000 1.021 546 T CA -0.035 61.741 62.100 -0.540 0.000 0.957 546 T CB -0.112 68.551 68.868 -0.342 0.000 1.047 546 T HN 0.565 nan 8.240 nan 0.000 0.511 547 Q N 1.067 120.856 119.800 -0.020 0.000 2.837 547 Q HA 0.351 4.690 4.340 -0.003 0.000 0.235 547 Q C -0.956 175.157 176.000 0.188 0.000 1.348 547 Q CA -0.461 55.400 55.803 0.097 0.000 0.990 547 Q CB -0.355 28.458 28.738 0.126 0.000 1.570 547 Q HN 0.455 nan 8.270 nan 0.000 0.575 548 C N 2.955 122.360 119.300 0.175 0.000 3.188 548 C HA 0.352 4.810 4.460 -0.003 0.000 0.230 548 C C -2.170 172.961 174.990 0.234 0.000 1.239 548 C CA -1.835 57.331 59.018 0.247 0.000 1.494 548 C CB -0.332 27.623 27.740 0.358 0.000 1.798 548 C HN 0.551 nan 8.230 nan 0.000 0.458 549 P HA 0.264 nan 4.420 nan 0.000 0.271 549 P C -2.209 175.156 177.300 0.108 0.000 1.218 549 P CA -0.740 62.439 63.100 0.132 0.000 0.780 549 P CB 0.085 31.836 31.700 0.085 0.000 0.901 550 P HA 0.071 nan 4.420 nan 0.000 0.272 550 P C -0.602 176.694 177.300 -0.006 0.000 1.223 550 P CA -0.342 62.785 63.100 0.046 0.000 0.784 550 P CB 0.522 32.249 31.700 0.046 0.000 0.923 551 L N 3.095 124.281 121.223 -0.061 0.000 2.433 551 L HA 0.049 4.388 4.340 -0.003 0.000 0.275 551 L C 1.104 177.922 176.870 -0.087 0.000 1.128 551 L CA 0.393 55.168 54.840 -0.109 0.000 0.875 551 L CB -0.506 41.444 42.059 -0.183 0.000 1.171 551 L HN 0.325 nan 8.230 nan 0.000 0.463 552 L N 4.863 126.043 121.223 -0.072 0.000 2.270 552 L HA 0.180 4.518 4.340 -0.003 0.000 0.210 552 L C 1.423 178.254 176.870 -0.065 0.000 1.104 552 L CA 0.401 55.217 54.840 -0.041 0.000 0.804 552 L CB -0.478 41.578 42.059 -0.005 0.000 0.937 552 L HN 0.832 nan 8.230 nan 0.000 0.450 553 A N 1.131 123.889 122.820 -0.105 0.000 2.531 553 A HA 0.098 4.416 4.320 -0.003 0.000 0.236 553 A C 0.289 177.797 177.584 -0.127 0.000 1.062 553 A CA 0.014 51.974 52.037 -0.128 0.000 0.760 553 A CB 0.049 18.946 19.000 -0.171 0.000 0.995 553 A HN 0.138 nan 8.150 nan 0.000 0.501 554 K N 1.924 122.253 120.400 -0.117 0.000 2.219 554 K HA 0.106 4.425 4.320 -0.003 0.000 0.258 554 K C -0.014 176.511 176.600 -0.125 0.000 1.008 554 K CA -0.167 56.057 56.287 -0.105 0.000 0.928 554 K CB 0.538 32.986 32.500 -0.087 0.000 0.983 554 K HN 0.773 nan 8.250 nan 0.000 0.484 555 E N -0.044 120.090 120.200 -0.110 0.000 2.502 555 E HA -0.051 4.297 4.350 -0.003 0.000 0.261 555 E C 0.869 177.399 176.600 -0.117 0.000 0.974 555 E CA 0.776 57.107 56.400 -0.115 0.000 0.936 555 E CB 0.125 29.772 29.700 -0.089 0.000 0.926 555 E HN 0.865 nan 8.360 nan 0.000 0.459 556 G N 2.628 111.346 108.800 -0.137 0.000 2.205 556 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.261 556 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.261 556 G C 0.411 175.213 174.900 -0.163 0.000 0.980 556 G CA 0.409 45.424 45.100 -0.141 0.000 0.632 556 G HN 0.705 nan 8.290 nan 0.000 0.533 557 S N -0.028 115.567 115.700 -0.175 0.000 2.593 557 S HA 0.553 5.021 4.470 -0.003 0.000 0.269 557 S C 1.541 175.988 174.600 -0.255 0.000 1.334 557 S CA 0.101 58.184 58.200 -0.195 0.000 1.015 557 S CB 1.582 64.666 63.200 -0.193 0.000 0.912 557 S HN 0.936 nan 8.310 nan 0.000 0.541 558 L N 2.624 123.686 121.223 -0.269 0.000 2.043 558 L HA -0.085 4.253 4.340 -0.003 0.000 0.212 558 L C 2.453 179.053 176.870 -0.449 0.000 1.075 558 L CA 1.672 56.305 54.840 -0.344 0.000 0.752 558 L CB -1.151 40.735 42.059 -0.288 0.000 0.891 558 L HN 0.751 nan 8.230 nan 0.000 0.432 559 V N -0.366 119.261 119.914 -0.479 0.000 2.295 559 V HA -0.288 3.831 4.120 -0.003 0.000 0.246 559 V C 2.728 178.607 176.094 -0.358 0.000 1.049 559 V CA 1.685 63.714 62.300 -0.451 0.000 1.024 559 V CB -1.232 30.377 31.823 -0.356 0.000 0.648 559 V HN 0.594 nan 8.190 nan 0.000 0.447 560 A N -0.517 122.112 122.820 -0.319 0.000 1.969 560 A HA -0.212 4.107 4.320 -0.003 0.000 0.218 560 A C 2.265 179.663 177.584 -0.310 0.000 1.169 560 A CA 1.825 53.680 52.037 -0.303 0.000 0.635 560 A CB -0.364 18.489 19.000 -0.245 0.000 0.810 560 A HN 0.571 nan 8.150 nan 0.000 0.445 561 K N -0.669 119.529 120.400 -0.337 0.000 2.062 561 K HA -0.018 4.301 4.320 -0.003 0.000 0.205 561 K C 2.126 178.432 176.600 -0.490 0.000 1.051 561 K CA 1.164 57.216 56.287 -0.392 0.000 0.941 561 K CB -0.116 32.114 32.500 -0.451 0.000 0.719 561 K HN 0.350 nan 8.250 nan 0.000 0.440 562 R N 0.094 120.317 120.500 -0.462 0.000 2.236 562 R HA 0.075 4.413 4.340 -0.003 0.000 0.208 562 R C 0.406 176.676 176.300 -0.050 0.000 1.036 562 R CA 0.649 56.544 56.100 -0.342 0.000 1.001 562 R CB 0.343 30.538 30.300 -0.176 0.000 0.896 562 R HN 0.009 nan 8.270 nan 0.000 0.464 563 A N 1.299 123.968 122.820 -0.251 0.000 3.204 563 A HA 0.299 4.618 4.320 -0.003 0.000 0.327 563 A C -2.054 175.110 177.584 -0.700 0.000 0.998 563 A CA -1.247 50.462 52.037 -0.546 0.000 0.891 563 A CB 0.595 19.101 19.000 -0.825 0.000 1.061 563 A HN -0.081 nan 8.150 nan 0.000 0.478 564 P HA -0.174 nan 4.420 nan 0.000 0.218 564 P C 1.484 178.676 177.300 -0.180 0.000 1.148 564 P CA 1.160 64.138 63.100 -0.203 0.000 0.822 564 P CB -0.235 31.427 31.700 -0.063 0.000 0.784 565 W N 0.166 121.418 121.300 -0.079 0.000 2.465 565 W HA 0.196 4.855 4.660 -0.002 0.000 0.268 565 W C 1.480 177.992 176.519 -0.011 0.000 1.242 565 W CA 0.667 57.980 57.345 -0.053 0.000 1.248 565 W CB -1.733 27.678 29.460 -0.080 0.000 1.118 565 W HN -0.082 nan 8.180 nan 0.000 0.587 566 A N 1.526 123.943 122.820 -0.672 0.000 2.167 566 A HA -0.069 4.249 4.320 -0.003 0.000 0.214 566 A C 2.174 179.591 177.584 -0.278 0.000 1.151 566 A CA 1.475 53.162 52.037 -0.584 0.000 0.735 566 A CB -0.846 17.498 19.000 -1.093 0.000 0.802 566 A HN 0.321 nan 8.150 nan 0.000 0.467 567 S N -0.938 114.602 115.700 -0.267 0.000 2.489 567 S HA 0.035 4.503 4.470 -0.003 0.000 0.228 567 S C 0.441 174.770 174.600 -0.452 0.000 0.995 567 S CA 0.218 58.220 58.200 -0.330 0.000 0.934 567 S CB -0.383 62.598 63.200 -0.365 0.000 0.771 567 S HN 0.646 nan 8.310 nan 0.000 0.522 568 H N -0.328 118.745 119.070 0.005 0.000 2.690 568 H HA 0.552 5.107 4.556 -0.003 0.000 0.368 568 H C 0.637 176.021 175.328 0.095 0.000 1.150 568 H CA -0.366 55.716 56.048 0.057 0.000 1.174 568 H CB 1.930 31.711 29.762 0.033 0.000 1.684 568 H HN -0.020 nan 8.280 nan 0.000 0.538 569 S N 0.615 116.476 115.700 0.269 0.000 2.402 569 S HA 0.004 4.473 4.470 -0.003 0.000 0.229 569 S C 0.450 175.110 174.600 0.100 0.000 1.021 569 S CA 0.636 58.968 58.200 0.219 0.000 0.974 569 S CB 0.287 63.712 63.200 0.376 0.000 0.800 569 S HN 0.250 nan 8.310 nan 0.000 0.484 570 V N 2.522 122.428 119.914 -0.013 0.000 2.709 570 V HA 0.424 4.543 4.120 -0.003 0.000 0.308 570 V C -1.109 174.866 176.094 -0.199 0.000 1.062 570 V CA -0.972 61.156 62.300 -0.288 0.000 0.901 570 V CB 2.085 33.462 31.823 -0.743 0.000 1.003 570 V HN 0.252 nan 8.190 nan 0.000 0.425 571 N N 3.068 121.649 118.700 -0.199 0.000 2.410 571 N HA 0.574 5.313 4.740 -0.003 0.000 0.287 571 N C -1.448 173.997 175.510 -0.109 0.000 1.044 571 N CA -0.312 52.670 53.050 -0.114 0.000 0.881 571 N CB 2.764 41.281 38.487 0.050 0.000 1.405 571 N HN 0.343 nan 8.380 nan 0.000 0.490 572 V N 1.964 121.801 119.914 -0.127 0.000 2.448 572 V HA 0.550 4.669 4.120 -0.003 0.000 0.295 572 V C 0.194 176.334 176.094 0.077 0.000 1.025 572 V CA -0.774 61.528 62.300 0.004 0.000 0.859 572 V CB 1.667 33.521 31.823 0.051 0.000 0.988 572 V HN 0.491 nan 8.190 nan 0.000 0.431 573 V N 3.129 123.134 119.914 0.151 0.000 3.040 573 V HA 0.782 4.900 4.120 -0.003 0.000 0.312 573 V C -2.956 173.195 176.094 0.096 0.000 1.115 573 V CA -3.036 59.337 62.300 0.121 0.000 0.998 573 V CB 2.214 34.132 31.823 0.160 0.000 1.042 573 V HN 0.618 nan 8.190 nan 0.000 0.433 574 P HA 0.148 nan 4.420 nan 0.000 0.269 574 P C -1.154 176.143 177.300 -0.005 0.000 1.209 574 P CA 0.262 63.389 63.100 0.045 0.000 0.776 574 P CB 0.019 31.734 31.700 0.024 0.000 0.876 575 Y N 3.287 123.554 120.300 -0.056 0.000 2.425 575 Y HA 0.235 4.784 4.550 -0.003 0.000 0.331 575 Y C 0.148 175.973 175.900 -0.125 0.000 1.157 575 Y CA 0.720 58.760 58.100 -0.101 0.000 1.372 575 Y CB 0.408 38.822 38.460 -0.076 0.000 1.253 575 Y HN 0.233 nan 8.280 nan 0.000 0.536 576 K N 4.027 123.806 120.400 -1.035 0.000 2.477 576 K HA 0.275 4.593 4.320 -0.003 0.000 0.255 576 K C -1.413 174.515 176.600 -1.120 0.000 0.952 576 K CA -0.789 55.034 56.287 -0.774 0.000 0.826 576 K CB 1.214 33.450 32.500 -0.440 0.000 1.331 576 K HN 0.589 nan 8.250 nan 0.000 0.437 577 D N 2.132 122.224 120.400 -0.514 0.000 2.423 577 D HA 0.018 4.656 4.640 -0.003 0.000 0.238 577 D C -0.025 176.084 176.300 -0.319 0.000 1.142 577 D CA 0.806 54.634 54.000 -0.287 0.000 0.884 577 D CB 0.391 41.170 40.800 -0.035 0.000 1.199 577 D HN 0.538 nan 8.370 nan 0.000 0.438 578 N N 1.082 119.622 118.700 -0.267 0.000 2.782 578 N HA -0.229 4.510 4.740 -0.003 0.000 0.251 578 N C -0.439 174.869 175.510 -0.336 0.000 1.101 578 N CA 0.499 53.390 53.050 -0.265 0.000 0.764 578 N CB -0.957 37.415 38.487 -0.192 0.000 1.122 578 N HN 0.466 nan 8.380 nan 0.000 0.561 579 R N 0.846 121.035 120.500 -0.519 0.000 3.171 579 R HA 0.320 4.659 4.340 -0.003 0.000 0.241 579 R C 1.229 177.183 176.300 -0.577 0.000 1.421 579 R CA -0.113 55.521 56.100 -0.777 0.000 1.444 579 R CB 0.237 29.751 30.300 -1.310 0.000 1.247 579 R HN 0.239 nan 8.270 nan 0.000 0.636 580 L N 0.500 121.492 121.223 -0.386 0.000 2.349 580 L HA 0.191 4.529 4.340 -0.003 0.000 0.200 580 L C -0.129 176.594 176.870 -0.245 0.000 1.064 580 L CA 0.484 54.998 54.840 -0.544 0.000 0.821 580 L CB 0.195 41.468 42.059 -1.309 0.000 1.027 580 L HN 0.322 nan 8.230 nan 0.000 0.476 581 Y N 1.046 121.522 120.300 0.293 0.000 2.402 581 Y HA 0.291 4.839 4.550 -0.003 0.000 0.332 581 Y C -1.686 174.222 175.900 0.014 0.000 0.960 581 Y CA -3.280 54.888 58.100 0.113 0.000 1.228 581 Y CB 0.143 38.577 38.460 -0.044 0.000 1.120 581 Y HN -0.060 nan 8.280 nan 0.000 0.491 582 P HA -0.028 nan 4.420 nan 0.000 0.237 582 P C 0.474 177.672 177.300 -0.170 0.000 1.178 582 P CA 0.794 63.637 63.100 -0.428 0.000 0.766 582 P CB 0.557 31.949 31.700 -0.514 0.000 0.876 583 S N -0.602 115.113 115.700 0.024 0.000 2.574 583 S HA 0.484 4.953 4.470 -0.003 0.000 0.242 583 S C 0.842 175.353 174.600 -0.148 0.000 0.982 583 S CA 0.263 58.548 58.200 0.142 0.000 0.977 583 S CB -0.176 63.256 63.200 0.386 0.000 0.814 583 S HN 0.490 nan 8.310 nan 0.000 0.464 584 G N 1.478 110.126 108.800 -0.253 0.000 2.707 584 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.686 584 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.686 584 G C -0.369 174.428 174.900 -0.171 0.000 1.315 584 G CA -0.434 44.470 45.100 -0.327 0.000 0.832 584 G HN 0.209 nan 8.290 nan 0.000 0.573 585 D N -0.054 120.227 120.400 -0.198 0.000 2.149 585 D HA 0.029 4.668 4.640 -0.003 0.000 0.201 585 D C 0.846 176.830 176.300 -0.527 0.000 0.972 585 D CA 1.435 55.261 54.000 -0.290 0.000 0.835 585 D CB -0.007 40.584 40.800 -0.349 0.000 0.966 585 D HN 0.496 nan 8.370 nan 0.000 0.476 586 H N 0.268 119.298 119.070 -0.066 0.000 2.792 586 H HA 0.258 4.813 4.556 -0.003 0.000 0.298 586 H C 0.872 176.176 175.328 -0.040 0.000 1.042 586 H CA -0.303 55.722 56.048 -0.038 0.000 1.300 586 H CB 1.717 31.470 29.762 -0.015 0.000 1.431 586 H HN -0.203 nan 8.280 nan 0.000 0.496 587 V N 4.020 123.970 119.914 0.059 0.000 2.500 587 V HA -0.002 4.116 4.120 -0.003 0.000 0.243 587 V C -1.652 174.539 176.094 0.162 0.000 1.039 587 V CA 0.431 62.790 62.300 0.099 0.000 1.053 587 V CB -0.847 31.001 31.823 0.042 0.000 0.695 587 V HN 0.460 nan 8.190 nan 0.000 0.463 588 P HA 0.051 nan 4.420 nan 0.000 0.262 588 P C 0.263 177.671 177.300 0.181 0.000 1.182 588 P CA 0.866 64.020 63.100 0.091 0.000 0.761 588 P CB 0.149 31.864 31.700 0.026 0.000 0.795 589 Q N -1.543 118.397 119.800 0.233 0.000 2.374 589 Q HA -0.223 4.115 4.340 -0.003 0.000 0.218 589 Q C -0.275 175.990 176.000 0.442 0.000 0.691 589 Q CA 0.460 56.462 55.803 0.332 0.000 1.340 589 Q CB -1.797 27.076 28.738 0.225 0.000 1.498 589 Q HN 0.525 nan 8.270 nan 0.000 0.739 590 W N 2.113 123.497 121.300 0.140 0.000 2.251 590 W HA 0.245 4.903 4.660 -0.002 0.000 0.327 590 W C 1.284 177.722 176.519 -0.135 0.000 1.361 590 W CA 0.305 57.673 57.345 0.038 0.000 1.234 590 W CB 0.532 29.995 29.460 0.005 0.000 1.212 590 W HN 0.145 nan 8.180 nan 0.000 0.557 591 S N 3.544 118.832 115.700 -0.686 0.000 2.481 591 S HA 0.092 4.560 4.470 -0.003 0.000 0.231 591 S C 1.619 175.429 174.600 -1.317 0.000 0.996 591 S CA 0.857 58.230 58.200 -1.379 0.000 0.942 591 S CB -0.393 62.223 63.200 -0.974 0.000 0.768 591 S HN 1.691 nan 8.310 nan 0.000 0.520 592 G N 0.738 108.283 108.800 -2.092 0.000 2.176 592 G HA2 -0.177 3.782 3.960 -0.003 0.000 0.232 592 G HA3 -0.177 3.782 3.960 -0.003 0.000 0.232 592 G C -0.453 173.793 174.900 -1.090 0.000 0.986 592 G CA 0.092 43.961 45.100 -2.052 0.000 0.643 592 G HN 0.575 nan 8.290 nan 0.000 0.522 593 D N 1.230 121.231 120.400 -0.665 0.000 2.225 593 D HA 0.553 5.192 4.640 -0.003 0.000 0.248 593 D C 0.720 177.149 176.300 0.215 0.000 1.096 593 D CA 1.423 55.327 54.000 -0.160 0.000 0.863 593 D CB 1.336 42.058 40.800 -0.130 0.000 1.156 593 D HN 1.357 nan 8.370 nan 0.000 0.450 594 G N 0.180 109.103 108.800 0.205 0.000 2.375 594 G HA2 -0.052 3.906 3.960 -0.003 0.000 0.663 594 G HA3 -0.052 3.906 3.960 -0.003 0.000 0.663 594 G C -1.110 173.895 174.900 0.176 0.000 1.391 594 G CA -0.992 44.240 45.100 0.220 0.000 0.949 594 G HN 0.326 nan 8.290 nan 0.000 0.646 595 V N 2.215 122.166 119.914 0.061 0.000 2.284 595 V HA 0.644 4.762 4.120 -0.003 0.000 0.260 595 V C 0.754 176.801 176.094 -0.079 0.000 1.084 595 V CA 0.438 62.737 62.300 -0.002 0.000 0.894 595 V CB -0.238 31.582 31.823 -0.006 0.000 1.119 595 V HN 1.019 nan 8.190 nan 0.000 0.484 596 R N 2.669 123.071 120.500 -0.163 0.000 2.781 596 R HA 0.835 5.173 4.340 -0.003 0.000 0.269 596 R C 0.501 176.505 176.300 -0.494 0.000 1.025 596 R CA -0.136 55.771 56.100 -0.322 0.000 0.914 596 R CB 1.180 31.203 30.300 -0.461 0.000 1.236 596 R HN 0.750 nan 8.270 nan 0.000 0.465 597 G N 1.248 109.656 108.800 -0.654 0.000 2.614 597 G HA2 -0.445 3.514 3.960 -0.003 0.000 0.303 597 G HA3 -0.445 3.514 3.960 -0.003 0.000 0.303 597 G C 0.573 174.395 174.900 -1.796 0.000 1.270 597 G CA 0.960 45.373 45.100 -1.145 0.000 0.988 597 G HN 0.773 nan 8.290 nan 0.000 0.551 598 M N 0.494 119.280 119.600 -1.357 0.000 2.202 598 M HA 0.026 4.504 4.480 -0.003 0.000 0.262 598 M C 2.397 178.422 176.300 -0.458 0.000 1.063 598 M CA 2.705 57.461 55.300 -0.906 0.000 1.097 598 M CB -0.487 31.879 32.600 -0.390 0.000 1.382 598 M HN 0.610 nan 8.290 nan 0.000 0.413 599 R N -0.351 119.943 120.500 -0.343 0.000 2.081 599 R HA -0.190 4.148 4.340 -0.003 0.000 0.235 599 R C 2.243 178.451 176.300 -0.153 0.000 1.131 599 R CA 1.967 57.969 56.100 -0.163 0.000 0.960 599 R CB -0.370 29.890 30.300 -0.067 0.000 0.856 599 R HN 0.655 nan 8.270 nan 0.000 0.436 600 E N -0.512 119.537 120.200 -0.251 0.000 2.072 600 E HA -0.189 4.160 4.350 -0.003 0.000 0.191 600 E C 1.420 178.050 176.600 0.049 0.000 0.985 600 E CA 1.220 57.553 56.400 -0.111 0.000 0.801 600 E CB -0.063 29.563 29.700 -0.123 0.000 0.750 600 E HN 0.418 nan 8.360 nan 0.000 0.452 601 W N 0.495 121.748 121.300 -0.078 0.000 2.388 601 W HA -0.019 4.639 4.660 -0.003 0.000 0.294 601 W C 2.073 178.555 176.519 -0.061 0.000 1.212 601 W CA 0.218 57.514 57.345 -0.082 0.000 1.271 601 W CB -0.851 28.536 29.460 -0.122 0.000 1.126 601 W HN 0.162 nan 8.180 nan 0.000 0.535 602 I N 0.018 120.661 120.570 0.121 0.000 2.353 602 I HA -0.074 4.094 4.170 -0.003 0.000 0.248 602 I C 2.209 178.349 176.117 0.037 0.000 1.119 602 I CA 1.348 62.680 61.300 0.053 0.000 1.417 602 I CB -1.083 36.917 38.000 0.000 0.000 1.078 602 I HN 0.081 nan 8.210 nan 0.000 0.421 603 G N 2.302 111.119 108.800 0.028 0.000 2.651 603 G HA2 -0.441 3.517 3.960 -0.003 0.000 0.315 603 G HA3 -0.441 3.517 3.960 -0.003 0.000 0.315 603 G C 0.537 175.444 174.900 0.010 0.000 1.258 603 G CA 0.769 45.881 45.100 0.021 0.000 1.002 603 G HN 0.541 nan 8.290 nan 0.000 0.551 604 D N 1.405 121.813 120.400 0.013 0.000 2.319 604 D HA 0.382 5.020 4.640 -0.003 0.000 0.230 604 D C 1.782 178.085 176.300 0.005 0.000 1.094 604 D CA 1.089 55.093 54.000 0.008 0.000 0.856 604 D CB -0.440 40.366 40.800 0.010 0.000 0.915 604 D HN 2.151 nan 8.370 nan 0.000 0.517 605 G N 0.375 109.177 108.800 0.004 0.000 2.189 605 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.267 605 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.267 605 G C 1.100 176.004 174.900 0.006 0.000 0.975 605 G CA 0.897 45.994 45.100 -0.005 0.000 0.644 605 G HN 0.732 nan 8.290 nan 0.000 0.537 606 S N -0.678 115.032 115.700 0.015 0.000 2.548 606 S HA 0.326 4.794 4.470 -0.003 0.000 0.215 606 S C 0.614 175.232 174.600 0.029 0.000 0.976 606 S CA 0.623 58.836 58.200 0.022 0.000 0.908 606 S CB 0.397 63.609 63.200 0.021 0.000 0.781 606 S HN 0.610 nan 8.310 nan 0.000 0.519 607 E N 2.438 122.657 120.200 0.031 0.000 2.392 607 E HA 0.176 4.524 4.350 -0.003 0.000 0.264 607 E C -0.286 176.341 176.600 0.046 0.000 1.024 607 E CA -0.415 56.007 56.400 0.037 0.000 0.903 607 E CB 0.274 29.997 29.700 0.038 0.000 0.963 607 E HN 0.377 nan 8.360 nan 0.000 0.432 608 N N 2.487 121.216 118.700 0.048 0.000 2.454 608 N HA -0.012 4.727 4.740 -0.003 0.000 0.260 608 N C -0.020 175.530 175.510 0.066 0.000 1.218 608 N CA 0.311 53.395 53.050 0.057 0.000 0.904 608 N CB 0.367 38.884 38.487 0.050 0.000 1.065 608 N HN 0.538 nan 8.380 nan 0.000 0.462 609 I N -1.670 118.952 120.570 0.086 0.000 3.966 609 I HA 0.426 4.594 4.170 -0.003 0.000 0.324 609 I C -0.385 175.787 176.117 0.092 0.000 1.517 609 I CA -0.539 60.820 61.300 0.099 0.000 1.117 609 I CB 0.300 38.378 38.000 0.131 0.000 1.190 609 I HN 0.236 nan 8.210 nan 0.000 0.466 610 D N 2.526 122.971 120.400 0.075 0.000 2.280 610 D HA 0.197 4.835 4.640 -0.003 0.000 0.236 610 D C 0.249 176.559 176.300 0.017 0.000 1.082 610 D CA 0.057 54.087 54.000 0.050 0.000 0.834 610 D CB 0.626 41.474 40.800 0.081 0.000 1.100 610 D HN 0.252 nan 8.370 nan 0.000 0.486 611 N N 2.455 121.134 118.700 -0.034 0.000 2.681 611 N HA -0.215 4.523 4.740 -0.003 0.000 0.259 611 N C -1.355 174.150 175.510 -0.009 0.000 1.066 611 N CA 1.220 54.251 53.050 -0.032 0.000 0.717 611 N CB -0.966 37.520 38.487 -0.002 0.000 0.885 611 N HN 0.534 nan 8.380 nan 0.000 0.547 612 T N -0.861 113.688 114.554 -0.008 0.000 2.626 612 T HA 0.344 4.692 4.350 -0.003 0.000 0.299 612 T C -1.858 172.847 174.700 0.009 0.000 1.181 612 T CA -0.535 61.570 62.100 0.009 0.000 1.053 612 T CB 0.712 69.597 68.868 0.029 0.000 1.566 612 T HN 0.062 nan 8.240 nan 0.000 0.486 613 D N 2.380 122.794 120.400 0.023 0.000 2.316 613 D HA 0.476 5.114 4.640 -0.003 0.000 0.245 613 D C 0.136 176.498 176.300 0.103 0.000 1.171 613 D CA 0.004 54.018 54.000 0.024 0.000 0.856 613 D CB 0.475 41.267 40.800 -0.013 0.000 1.090 613 D HN 0.628 nan 8.370 nan 0.000 0.476 614 I N -1.740 118.893 120.570 0.105 0.000 3.067 614 I HA 0.611 4.779 4.170 -0.003 0.000 0.312 614 I C -1.174 175.052 176.117 0.181 0.000 1.073 614 I CA -1.158 60.231 61.300 0.148 0.000 1.016 614 I CB 1.961 40.048 38.000 0.145 0.000 1.227 614 I HN 0.015 nan 8.210 nan 0.000 0.456 615 L N 2.959 124.296 121.223 0.191 0.000 2.385 615 L HA 0.506 4.844 4.340 -0.003 0.000 0.273 615 L C -1.412 175.606 176.870 0.247 0.000 0.990 615 L CA -0.454 54.486 54.840 0.168 0.000 0.821 615 L CB 2.373 44.529 42.059 0.161 0.000 1.279 615 L HN 0.575 nan 8.230 nan 0.000 0.412 616 F N 3.340 123.271 119.950 -0.032 0.000 2.403 616 F HA 0.535 5.061 4.527 -0.003 0.000 0.355 616 F C -1.090 174.663 175.800 -0.078 0.000 1.119 616 F CA -0.475 57.550 58.000 0.042 0.000 1.007 616 F CB 0.790 39.807 39.000 0.029 0.000 1.194 616 F HN 0.171 nan 8.300 nan 0.000 0.443 617 F N 5.141 125.141 119.950 0.084 0.000 2.411 617 F HA 0.289 4.814 4.527 -0.003 0.000 0.352 617 F C -0.326 175.558 175.800 0.140 0.000 1.123 617 F CA -0.666 57.420 58.000 0.143 0.000 1.044 617 F CB 0.973 40.044 39.000 0.117 0.000 1.135 617 F HN 0.454 nan 8.300 nan 0.000 0.461 618 H N 1.588 120.833 119.070 0.292 0.000 2.505 618 H HA 0.435 4.989 4.556 -0.003 0.000 0.338 618 H C -0.904 174.645 175.328 0.369 0.000 1.057 618 H CA -0.676 55.522 56.048 0.250 0.000 1.202 618 H CB 1.284 31.216 29.762 0.285 0.000 1.466 618 H HN 0.501 nan 8.280 nan 0.000 0.499 619 T N 7.501 122.053 114.554 -0.004 0.000 2.744 619 T HA 0.411 4.759 4.350 -0.003 0.000 0.291 619 T C -0.767 173.856 174.700 -0.129 0.000 0.957 619 T CA -0.290 61.853 62.100 0.072 0.000 1.002 619 T CB -0.384 68.629 68.868 0.242 0.000 0.919 619 T HN 0.488 nan 8.240 nan 0.000 0.468 620 F N 0.342 120.223 119.950 -0.115 0.000 2.692 620 F HA 0.971 5.496 4.527 -0.003 0.000 0.320 620 F C 0.202 176.138 175.800 0.225 0.000 1.123 620 F CA -0.832 57.143 58.000 -0.041 0.000 0.961 620 F CB 1.100 40.027 39.000 -0.122 0.000 1.383 620 F HN 0.866 nan 8.300 nan 0.000 0.483 621 G N 0.262 109.220 108.800 0.264 0.000 2.373 621 G HA2 0.420 4.378 3.960 -0.003 0.000 0.250 621 G HA3 0.420 4.378 3.960 -0.003 0.000 0.250 621 G C -1.983 173.055 174.900 0.231 0.000 1.304 621 G CA -0.332 44.935 45.100 0.278 0.000 0.948 621 G HN 1.524 nan 8.290 nan 0.000 0.474 622 I N -2.888 117.806 120.570 0.207 0.000 3.074 622 I HA 0.863 5.032 4.170 -0.003 0.000 0.310 622 I C -0.663 175.492 176.117 0.063 0.000 1.153 622 I CA -1.061 60.316 61.300 0.128 0.000 0.993 622 I CB 2.336 40.395 38.000 0.099 0.000 1.237 622 I HN 0.464 nan 8.210 nan 0.000 0.443 623 T N 1.259 115.807 114.554 -0.011 0.000 2.770 623 T HA 0.333 4.682 4.350 -0.003 0.000 0.283 623 T C -0.990 173.546 174.700 -0.274 0.000 0.988 623 T CA -0.163 61.830 62.100 -0.178 0.000 0.957 623 T CB 0.124 68.903 68.868 -0.148 0.000 0.930 623 T HN 0.645 nan 8.240 nan 0.000 0.443 624 H N 2.962 121.662 119.070 -0.615 0.000 2.595 624 H HA 0.432 4.987 4.556 -0.003 0.000 0.313 624 H C -1.182 173.714 175.328 -0.720 0.000 1.023 624 H CA -1.140 54.573 56.048 -0.558 0.000 1.218 624 H CB 0.323 29.738 29.762 -0.579 0.000 1.403 624 H HN 0.434 nan 8.280 nan 0.000 0.477 625 F N 6.693 126.733 119.950 0.149 0.000 2.308 625 F HA 0.289 4.815 4.527 -0.001 0.000 0.370 625 F C -1.998 173.883 175.800 0.135 0.000 1.100 625 F CA -2.461 55.583 58.000 0.074 0.000 1.108 625 F CB 0.775 39.812 39.000 0.061 0.000 1.293 625 F HN 0.515 nan 8.300 nan 0.000 0.478 626 P HA 0.303 nan 4.420 nan 0.000 0.268 626 P C -0.702 176.702 177.300 0.173 0.000 1.208 626 P CA -0.061 63.115 63.100 0.127 0.000 0.777 626 P CB 0.908 32.614 31.700 0.010 0.000 0.875 627 A N 3.594 126.524 122.820 0.183 0.000 2.479 627 A HA 0.621 4.939 4.320 -0.003 0.000 0.296 627 A C -2.092 175.572 177.584 0.134 0.000 1.121 627 A CA -1.501 50.617 52.037 0.134 0.000 0.743 627 A CB 0.641 19.717 19.000 0.126 0.000 1.323 627 A HN 0.252 nan 8.150 nan 0.000 0.415 628 P HA -0.140 nan 4.420 nan 0.000 0.218 628 P C 0.736 178.137 177.300 0.169 0.000 1.148 628 P CA 1.502 64.690 63.100 0.147 0.000 0.822 628 P CB 0.236 32.006 31.700 0.117 0.000 0.784 629 E N -0.526 119.749 120.200 0.125 0.000 2.219 629 E HA -0.184 4.164 4.350 -0.003 0.000 0.198 629 E C 1.274 177.939 176.600 0.109 0.000 0.998 629 E CA 1.162 57.623 56.400 0.100 0.000 0.818 629 E CB -0.762 28.981 29.700 0.072 0.000 0.741 629 E HN 0.343 nan 8.360 nan 0.000 0.477 630 D N -1.097 119.399 120.400 0.161 0.000 2.349 630 D HA 0.006 4.644 4.640 -0.003 0.000 0.224 630 D C -0.323 176.101 176.300 0.207 0.000 1.029 630 D CA 0.390 54.495 54.000 0.175 0.000 0.879 630 D CB 0.115 41.076 40.800 0.267 0.000 0.906 630 D HN 0.057 nan 8.370 nan 0.000 0.528 631 F N 0.853 120.820 119.950 0.029 0.000 2.561 631 F HA 0.321 4.847 4.527 -0.002 0.000 0.321 631 F C -1.735 174.071 175.800 0.011 0.000 1.065 631 F CA -2.357 55.652 58.000 0.015 0.000 0.934 631 F CB 2.109 41.133 39.000 0.040 0.000 1.215 631 F HN -0.313 nan 8.300 nan 0.000 0.471 632 P HA 0.043 nan 4.420 nan 0.000 0.236 632 P C -0.674 176.262 177.300 -0.607 0.000 1.177 632 P CA 0.747 63.083 63.100 -1.272 0.000 0.773 632 P CB 0.672 31.906 31.700 -0.777 0.000 0.878 633 L N -0.309 120.665 121.223 -0.415 0.000 2.436 633 L HA 0.505 4.843 4.340 -0.003 0.000 0.268 633 L C -0.784 175.928 176.870 -0.262 0.000 0.974 633 L CA -1.311 53.241 54.840 -0.479 0.000 0.826 633 L CB 2.139 43.654 42.059 -0.907 0.000 1.291 633 L HN -0.246 nan 8.230 nan 0.000 0.406 634 M N 6.779 126.263 119.600 -0.192 0.000 2.146 634 M HA 0.503 4.981 4.480 -0.003 0.000 0.357 634 M C -2.240 173.989 176.300 -0.118 0.000 1.261 634 M CA -1.453 53.792 55.300 -0.091 0.000 1.106 634 M CB 1.252 33.837 32.600 -0.025 0.000 1.612 634 M HN 0.442 nan 8.290 nan 0.000 0.470 635 P HA 0.058 nan 4.420 nan 0.000 0.266 635 P C -1.196 176.047 177.300 -0.095 0.000 1.195 635 P CA -0.077 62.971 63.100 -0.087 0.000 0.768 635 P CB 0.451 32.116 31.700 -0.058 0.000 0.838 636 A N 2.459 125.221 122.820 -0.096 0.000 2.546 636 A HA 0.059 4.377 4.320 -0.003 0.000 0.243 636 A C 0.405 177.930 177.584 -0.099 0.000 1.063 636 A CA 0.325 52.302 52.037 -0.100 0.000 0.757 636 A CB -0.573 18.382 19.000 -0.076 0.000 0.991 636 A HN 0.598 nan 8.150 nan 0.000 0.503 637 E N 3.834 123.961 120.200 -0.123 0.000 2.158 637 E HA 0.522 4.870 4.350 -0.003 0.000 0.271 637 E C -2.682 173.858 176.600 -0.100 0.000 0.911 637 E CA -2.195 54.130 56.400 -0.125 0.000 0.767 637 E CB 1.708 31.295 29.700 -0.189 0.000 1.120 637 E HN 0.464 nan 8.360 nan 0.000 0.405 638 P HA 0.335 nan 4.420 nan 0.000 0.286 638 P C -0.772 176.503 177.300 -0.041 0.000 1.261 638 P CA -0.343 62.721 63.100 -0.060 0.000 0.821 638 P CB 1.255 32.919 31.700 -0.060 0.000 1.013 639 I N 0.716 121.263 120.570 -0.039 0.000 2.686 639 I HA 0.556 4.725 4.170 -0.003 0.000 0.295 639 I C 0.026 176.102 176.117 -0.068 0.000 1.114 639 I CA -0.545 60.751 61.300 -0.007 0.000 1.038 639 I CB 2.615 40.649 38.000 0.057 0.000 1.238 639 I HN 0.263 nan 8.210 nan 0.000 0.420 640 T N 5.623 120.123 114.554 -0.089 0.000 2.889 640 T HA 0.818 5.166 4.350 -0.003 0.000 0.315 640 T C -1.795 172.770 174.700 -0.226 0.000 1.291 640 T CA -0.476 61.520 62.100 -0.174 0.000 1.028 640 T CB 1.584 70.373 68.868 -0.130 0.000 1.235 640 T HN 0.546 nan 8.240 nan 0.000 0.491 641 L N 1.144 122.186 121.223 -0.301 0.000 2.540 641 L HA 0.926 5.264 4.340 -0.003 0.000 0.256 641 L C -1.183 175.560 176.870 -0.211 0.000 1.001 641 L CA -1.000 53.679 54.840 -0.267 0.000 0.843 641 L CB 2.172 43.986 42.059 -0.409 0.000 1.436 641 L HN 0.819 nan 8.230 nan 0.000 0.410 642 M N 2.201 121.720 119.600 -0.134 0.000 2.501 642 M HA 0.687 5.165 4.480 -0.003 0.000 0.293 642 M C -2.142 174.135 176.300 -0.039 0.000 1.192 642 M CA -0.575 54.672 55.300 -0.087 0.000 0.886 642 M CB 2.356 34.926 32.600 -0.051 0.000 1.710 642 M HN 0.742 nan 8.290 nan 0.000 0.457 643 L N 4.611 125.846 121.223 0.020 0.000 2.294 643 L HA 0.580 4.918 4.340 -0.003 0.000 0.283 643 L C -0.725 176.274 176.870 0.215 0.000 1.015 643 L CA -0.473 54.462 54.840 0.157 0.000 0.831 643 L CB 1.438 43.653 42.059 0.259 0.000 1.217 643 L HN 0.694 nan 8.230 nan 0.000 0.420 644 R N 4.358 124.880 120.500 0.037 0.000 2.514 644 R HA 0.465 4.803 4.340 -0.003 0.000 0.301 644 R C -2.578 173.377 176.300 -0.575 0.000 0.962 644 R CA -1.948 54.054 56.100 -0.163 0.000 0.882 644 R CB 1.627 31.873 30.300 -0.089 0.000 1.143 644 R HN 0.259 nan 8.270 nan 0.000 0.452 645 P HA 0.112 nan 4.420 nan 0.000 0.276 645 P C -0.927 176.161 177.300 -0.353 0.000 1.243 645 P CA -0.190 62.301 63.100 -1.015 0.000 0.768 645 P CB 0.847 32.148 31.700 -0.664 0.000 0.856 646 R N 3.037 123.408 120.500 -0.216 0.000 2.514 646 R HA 0.266 4.605 4.340 -0.003 0.000 0.296 646 R C 0.589 176.890 176.300 0.002 0.000 1.012 646 R CA -0.655 55.364 56.100 -0.135 0.000 0.897 646 R CB 0.398 30.666 30.300 -0.053 0.000 1.184 646 R HN 0.669 nan 8.270 nan 0.000 0.440 647 H N 0.949 120.033 119.070 0.024 0.000 3.211 647 H HA -0.233 4.321 4.556 -0.003 0.000 0.240 647 H C 0.770 176.095 175.328 -0.006 0.000 1.148 647 H CA 1.305 57.362 56.048 0.015 0.000 1.160 647 H CB -1.196 28.565 29.762 -0.001 0.000 1.232 647 H HN 0.552 nan 8.280 nan 0.000 0.321 648 F N 0.609 120.477 119.950 -0.137 0.000 2.149 648 F HA 0.127 4.652 4.527 -0.003 0.000 0.294 648 F C 1.050 176.582 175.800 -0.447 0.000 1.095 648 F CA 0.772 58.571 58.000 -0.335 0.000 1.276 648 F CB 0.190 38.861 39.000 -0.547 0.000 1.023 648 F HN -0.062 nan 8.300 nan 0.000 0.480 649 F N -0.268 119.735 119.950 0.088 0.000 2.408 649 F HA 0.247 4.772 4.527 -0.003 0.000 0.325 649 F C 1.685 177.448 175.800 -0.063 0.000 1.082 649 F CA -0.183 57.808 58.000 -0.015 0.000 1.032 649 F CB 0.688 39.687 39.000 -0.002 0.000 1.259 649 F HN -0.206 nan 8.300 nan 0.000 0.503 650 T N -3.077 111.543 114.554 0.110 0.000 3.065 650 T HA 0.201 4.549 4.350 -0.003 0.000 0.252 650 T C -0.037 174.739 174.700 0.126 0.000 1.099 650 T CA 0.342 62.419 62.100 -0.038 0.000 1.063 650 T CB -0.547 68.090 68.868 -0.385 0.000 0.948 650 T HN 0.733 nan 8.240 nan 0.000 0.506 651 E N 0.215 120.489 120.200 0.124 0.000 2.439 651 E HA 0.306 4.655 4.350 -0.003 0.000 0.279 651 E C -1.334 175.259 176.600 -0.013 0.000 1.077 651 E CA -1.236 55.207 56.400 0.072 0.000 0.849 651 E CB 0.098 29.838 29.700 0.066 0.000 1.408 651 E HN -0.101 nan 8.360 nan 0.000 0.457 652 N N 1.972 120.628 118.700 -0.074 0.000 2.315 652 N HA -0.011 4.727 4.740 -0.003 0.000 0.270 652 N C -1.370 174.027 175.510 -0.187 0.000 1.329 652 N CA -1.192 51.772 53.050 -0.143 0.000 0.860 652 N CB 0.647 39.015 38.487 -0.198 0.000 1.095 652 N HN 0.378 nan 8.380 nan 0.000 0.487 653 P HA 0.042 nan 4.420 nan 0.000 0.237 653 P C 0.809 178.016 177.300 -0.155 0.000 1.178 653 P CA 0.601 63.441 63.100 -0.434 0.000 0.766 653 P CB 0.067 31.100 31.700 -1.111 0.000 0.876 654 G N -0.244 108.539 108.800 -0.027 0.000 3.042 654 G HA2 0.035 3.994 3.960 -0.003 0.000 0.212 654 G HA3 0.035 3.994 3.960 -0.003 0.000 0.212 654 G C 1.285 176.334 174.900 0.247 0.000 1.166 654 G CA -0.158 45.032 45.100 0.149 0.000 0.767 654 G HN 0.196 nan 8.290 nan 0.000 0.546 655 L N 1.062 122.337 121.223 0.086 0.000 2.376 655 L HA 0.019 4.357 4.340 -0.003 0.000 0.219 655 L C 1.914 178.848 176.870 0.107 0.000 1.133 655 L CA 0.910 55.782 54.840 0.053 0.000 0.816 655 L CB -0.012 41.988 42.059 -0.099 0.000 0.933 655 L HN 0.259 nan 8.230 nan 0.000 0.449 656 D N -0.261 120.203 120.400 0.107 0.000 2.328 656 D HA 0.022 4.660 4.640 -0.003 0.000 0.221 656 D C 0.674 177.018 176.300 0.073 0.000 1.072 656 D CA -0.081 53.973 54.000 0.090 0.000 0.850 656 D CB -0.150 40.724 40.800 0.123 0.000 0.922 656 D HN 0.193 nan 8.370 nan 0.000 0.516 657 I N 1.791 122.418 120.570 0.095 0.000 2.556 657 I HA -0.039 4.130 4.170 -0.003 0.000 0.284 657 I C 0.825 176.981 176.117 0.064 0.000 1.114 657 I CA -0.353 60.981 61.300 0.057 0.000 1.418 657 I CB 0.640 38.664 38.000 0.042 0.000 1.394 657 I HN -0.195 nan 8.210 nan 0.000 0.552 658 Q N 7.204 127.023 119.800 0.032 0.000 2.263 658 Q HA 0.126 4.464 4.340 -0.003 0.000 0.289 658 Q C -2.107 173.912 176.000 0.032 0.000 1.061 658 Q CA -1.260 54.561 55.803 0.030 0.000 0.927 658 Q CB 0.022 28.770 28.738 0.016 0.000 1.154 658 Q HN 0.320 nan 8.270 nan 0.000 0.378 659 P HA 0.048 nan 4.420 nan 0.000 0.270 659 P C 0.254 177.578 177.300 0.040 0.000 1.223 659 P CA -0.019 63.109 63.100 0.048 0.000 0.785 659 P CB 0.692 32.430 31.700 0.064 0.000 0.923 660 S N -0.466 115.264 115.700 0.050 0.000 2.414 660 S HA -0.023 4.446 4.470 -0.003 0.000 0.227 660 S C 0.092 174.791 174.600 0.165 0.000 1.022 660 S CA 1.083 59.330 58.200 0.077 0.000 0.958 660 S CB -0.423 62.810 63.200 0.055 0.000 0.797 660 S HN 0.598 nan 8.310 nan 0.000 0.493 661 Y N -0.025 120.284 120.300 0.015 0.000 2.482 661 Y HA 0.565 5.114 4.550 -0.003 0.000 0.334 661 Y C -1.585 174.336 175.900 0.035 0.000 1.091 661 Y CA -1.165 56.948 58.100 0.021 0.000 1.027 661 Y CB 0.999 39.469 38.460 0.017 0.000 1.306 661 Y HN -0.034 nan 8.280 nan 0.000 0.446 662 A N 6.148 128.592 122.820 -0.626 0.000 2.437 662 A HA 0.747 5.065 4.320 -0.003 0.000 0.293 662 A C -1.937 175.289 177.584 -0.596 0.000 1.038 662 A CA -0.531 51.246 52.037 -0.433 0.000 0.708 662 A CB 1.352 20.253 19.000 -0.165 0.000 1.251 662 A HN 0.778 nan 8.150 nan 0.000 0.409 663 M N 2.809 122.175 119.600 -0.391 0.000 2.204 663 M HA 0.546 5.024 4.480 -0.003 0.000 0.293 663 M C 0.133 176.389 176.300 -0.073 0.000 0.994 663 M CA 0.057 55.230 55.300 -0.213 0.000 0.925 663 M CB 1.892 34.432 32.600 -0.100 0.000 1.577 663 M HN 0.893 nan 8.290 nan 0.000 0.439 664 T N 0.659 115.178 114.554 -0.058 0.000 2.847 664 T HA 0.352 4.700 4.350 -0.003 0.000 0.279 664 T C 0.900 175.590 174.700 -0.018 0.000 0.984 664 T CA -0.217 61.866 62.100 -0.028 0.000 0.988 664 T CB 0.748 69.599 68.868 -0.029 0.000 1.040 664 T HN 0.712 nan 8.240 nan 0.000 0.528 665 T N 1.544 116.089 114.554 -0.016 0.000 2.684 665 T HA -0.173 4.175 4.350 -0.003 0.000 0.267 665 T C 2.380 177.067 174.700 -0.021 0.000 1.036 665 T CA 2.105 64.191 62.100 -0.022 0.000 1.148 665 T CB -0.778 68.072 68.868 -0.031 0.000 0.863 665 T HN 0.888 nan 8.240 nan 0.000 0.436 666 S N 1.602 117.289 115.700 -0.021 0.000 2.368 666 S HA -0.116 4.353 4.470 -0.003 0.000 0.224 666 S C 1.900 176.490 174.600 -0.016 0.000 1.029 666 S CA 1.147 59.336 58.200 -0.019 0.000 0.988 666 S CB -0.460 62.729 63.200 -0.019 0.000 0.838 666 S HN 0.585 nan 8.310 nan 0.000 0.462 667 E N 1.782 121.971 120.200 -0.018 0.000 2.077 667 E HA -0.025 4.323 4.350 -0.003 0.000 0.193 667 E C 2.428 179.026 176.600 -0.005 0.000 0.989 667 E CA 1.020 57.411 56.400 -0.016 0.000 0.800 667 E CB -0.431 29.251 29.700 -0.030 0.000 0.746 667 E HN 0.719 nan 8.360 nan 0.000 0.452 668 A N 1.450 124.269 122.820 -0.001 0.000 1.933 668 A HA -0.209 4.109 4.320 -0.003 0.000 0.218 668 A C 1.920 179.506 177.584 0.003 0.000 1.175 668 A CA 1.339 53.382 52.037 0.011 0.000 0.628 668 A CB -0.216 18.792 19.000 0.013 0.000 0.814 668 A HN 0.039 nan 8.150 nan 0.000 0.444 669 K N -0.731 119.665 120.400 -0.006 0.000 2.057 669 K HA -0.067 4.252 4.320 -0.003 0.000 0.206 669 K C 2.296 178.893 176.600 -0.004 0.000 1.050 669 K CA 1.202 57.484 56.287 -0.008 0.000 0.935 669 K CB -0.183 32.309 32.500 -0.014 0.000 0.715 669 K HN 0.337 nan 8.250 nan 0.000 0.439 670 R N 0.494 120.992 120.500 -0.004 0.000 2.127 670 R HA -0.061 4.277 4.340 -0.003 0.000 0.238 670 R C 1.192 177.494 176.300 0.003 0.000 1.134 670 R CA 0.999 57.097 56.100 -0.002 0.000 0.975 670 R CB -0.184 30.114 30.300 -0.004 0.000 0.865 670 R HN 0.084 nan 8.270 nan 0.000 0.447 671 A N 1.786 124.611 122.820 0.008 0.000 2.958 671 A HA 0.235 4.554 4.320 -0.003 0.000 0.247 671 A C 0.778 178.369 177.584 0.011 0.000 1.679 671 A CA 0.119 52.164 52.037 0.014 0.000 1.345 671 A CB -1.363 17.652 19.000 0.025 0.000 1.013 671 A HN 0.244 nan 8.150 nan 0.000 0.641 672 V N 0.000 119.918 119.914 0.006 0.000 2.409 672 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 672 V CA 0.000 62.302 62.300 0.003 0.000 1.235 672 V CB 0.000 31.825 31.823 0.004 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556