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 2nvk_1_X DATA FIRST_RESID 8 DATA SEQUENCE YDYDLIVIGG GSAGLACAKE AVLNGARVAC LDFVKPTPTL GTKWGVGGTc DATA SEQUENCE VNVGcIPKKL MHQASLLGEA VHEAAAYGWN VDDKIKPDWH KLVQSVQNHI DATA SEQUENCE KSVNWVTRVD LRDKKVEYIN GLGSFVDSHT LLAKLKSGER TITAQTFVIA DATA SEQUENCE VGGRPRYPDI PGAVEYGITS DDLFSLDREP GKTLVVGAGY IGLECAGFLK DATA SEQUENCE GLGYEPTVMV RSIVLRGFDQ QMAELVAASM EERGIPFLRK TVPLSVEKQD DATA SEQUENCE DGKLLVKYKN VETGEESEDV YDTVLWAIGR KGLVDDLNLP NAGVTVQKDK DATA SEQUENCE IPVDSQEATN VANIYAVGDI IYGKPELTPV AVLAGRLLAR RLYGGSTQRM DATA SEQUENCE DYKDVATTVF TPLEYACVGL SEEDAVKQFG ADEIEVFHGY YKPTEFFIPQ DATA SEQUENCE KSVRYCYLKA VAERHGDQRV YGLHYIGPVA GEVIQGFAAA LKSGLTINTL DATA SEQUENCE INTVGIHPTT AEEFTRLAIT KRSGLDPTPA S 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 8 Y HA 0.000 nan 4.550 nan 0.000 0.201 8 Y C 0.000 175.873 175.900 -0.045 0.000 1.272 8 Y CA 0.000 58.104 58.100 0.007 0.000 1.940 8 Y CB 0.000 nan 38.460 nan 0.000 1.050 9 D N 0.067 120.425 120.400 -0.070 0.000 2.219 9 D HA 0.063 4.703 4.640 0.000 0.000 0.205 9 D C -0.375 175.600 176.300 -0.541 0.000 0.970 9 D CA 1.979 55.804 54.000 -0.292 0.000 0.851 9 D CB 0.105 40.714 40.800 -0.319 0.000 0.943 9 D HN 0.443 nan 8.370 nan 0.000 0.488 10 Y N 0.192 120.468 120.300 -0.040 0.000 2.499 10 Y HA 0.174 4.724 4.550 0.000 0.000 0.347 10 Y C 1.120 176.983 175.900 -0.062 0.000 0.987 10 Y CA -1.042 57.019 58.100 -0.064 0.000 1.044 10 Y CB 1.747 40.154 38.460 -0.089 0.000 1.245 10 Y HN -0.346 nan 8.280 nan 0.000 0.461 11 D N 0.950 121.408 120.400 0.097 0.000 2.097 11 D HA -0.090 4.550 4.640 0.000 0.000 0.195 11 D C -0.224 176.144 176.300 0.114 0.000 0.989 11 D CA 1.729 55.781 54.000 0.085 0.000 0.827 11 D CB 0.357 41.150 40.800 -0.010 0.000 0.966 11 D HN 0.241 nan 8.370 nan 0.000 0.456 12 L N 0.407 121.665 121.223 0.059 0.000 2.438 12 L HA 0.412 4.752 4.340 0.000 0.000 0.270 12 L C -1.354 175.440 176.870 -0.127 0.000 0.972 12 L CA -0.456 54.384 54.840 0.001 0.000 0.831 12 L CB 2.083 44.202 42.059 0.100 0.000 1.273 12 L HN -0.214 nan 8.230 nan 0.000 0.405 13 I N 5.290 125.687 120.570 -0.287 0.000 2.377 13 I HA 0.466 4.636 4.170 0.000 0.000 0.293 13 I C -0.703 175.389 176.117 -0.042 0.000 0.987 13 I CA -0.924 60.228 61.300 -0.246 0.000 1.185 13 I CB 1.949 39.791 38.000 -0.265 0.000 1.341 13 I HN 0.286 nan 8.210 nan 0.000 0.455 14 V N 7.000 126.907 119.914 -0.011 0.000 2.370 14 V HA 0.333 4.454 4.120 0.000 0.000 0.283 14 V C 0.141 176.282 176.094 0.079 0.000 1.023 14 V CA -0.610 61.731 62.300 0.069 0.000 0.857 14 V CB 1.514 33.366 31.823 0.049 0.000 0.985 14 V HN 0.383 nan 8.190 nan 0.000 0.443 15 I N 4.556 125.199 120.570 0.123 0.000 2.287 15 I HA 0.684 4.854 4.170 0.000 0.000 0.290 15 I C 0.751 176.932 176.117 0.106 0.000 1.069 15 I CA 0.114 61.471 61.300 0.093 0.000 1.237 15 I CB -0.010 38.037 38.000 0.078 0.000 1.418 15 I HN 0.856 nan 8.210 nan 0.000 0.481 16 G N 3.763 112.626 108.800 0.105 0.000 3.187 16 G HA2 0.123 4.084 3.960 0.000 0.000 0.682 16 G HA3 0.123 4.084 3.960 0.000 0.000 0.682 16 G C -0.149 174.818 174.900 0.111 0.000 1.266 16 G CA -0.592 44.578 45.100 0.118 0.000 0.902 16 G HN 0.945 nan 8.290 nan 0.000 0.589 17 G N 0.650 109.521 108.800 0.118 0.000 4.637 17 G HA2 0.707 4.667 3.960 0.000 0.000 0.308 17 G HA3 0.707 4.667 3.960 0.000 0.000 0.308 17 G C 0.717 175.655 174.900 0.064 0.000 1.377 17 G CA 0.837 45.988 45.100 0.084 0.000 1.176 17 G HN 1.255 nan 8.290 nan 0.000 0.601 18 G N 0.180 109.025 108.800 0.076 0.000 2.890 18 G HA2 0.407 4.368 3.960 0.000 0.000 0.189 18 G HA3 0.407 4.368 3.960 0.000 0.000 0.189 18 G C 1.232 176.161 174.900 0.049 0.000 1.342 18 G CA 0.387 45.529 45.100 0.071 0.000 1.026 18 G HN 0.190 nan 8.290 nan 0.000 0.579 19 S N 0.154 115.885 115.700 0.052 0.000 2.359 19 S HA -0.129 4.342 4.470 0.000 0.000 0.224 19 S C 2.651 177.276 174.600 0.042 0.000 1.035 19 S CA 1.724 59.947 58.200 0.039 0.000 1.018 19 S CB -0.537 62.690 63.200 0.044 0.000 0.876 19 S HN 0.763 nan 8.310 nan 0.000 0.448 20 A N 1.643 124.499 122.820 0.060 0.000 1.854 20 A HA 0.220 4.541 4.320 0.000 0.000 0.214 20 A C 2.386 180.007 177.584 0.061 0.000 1.192 20 A CA 1.516 53.592 52.037 0.065 0.000 0.611 20 A CB -1.578 17.475 19.000 0.087 0.000 0.832 20 A HN 0.497 nan 8.150 nan 0.000 0.442 21 G N 0.022 108.863 108.800 0.069 0.000 2.529 21 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 21 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 21 G C 1.407 176.333 174.900 0.042 0.000 1.177 21 G CA 1.452 46.592 45.100 0.066 0.000 0.773 21 G HN 0.331 nan 8.290 nan 0.000 0.573 22 L N 1.303 122.542 121.223 0.027 0.000 2.056 22 L HA 0.153 4.493 4.340 0.000 0.000 0.207 22 L C 3.317 180.187 176.870 -0.000 0.000 1.078 22 L CA 1.604 56.445 54.840 0.001 0.000 0.749 22 L CB -1.101 40.945 42.059 -0.021 0.000 0.901 22 L HN 0.306 nan 8.230 nan 0.000 0.433 23 A N -1.576 121.248 122.820 0.007 0.000 1.908 23 A HA -0.313 4.007 4.320 0.000 0.000 0.218 23 A C 2.593 180.183 177.584 0.011 0.000 1.181 23 A CA 1.993 54.033 52.037 0.005 0.000 0.627 23 A CB -1.446 17.559 19.000 0.008 0.000 0.818 23 A HN 0.568 nan 8.150 nan 0.000 0.445 24 C N -0.983 118.330 119.300 0.023 0.000 2.453 24 C HA 0.119 4.579 4.460 0.000 0.000 0.277 24 C C 3.219 178.225 174.990 0.028 0.000 1.262 24 C CA 1.195 60.231 59.018 0.031 0.000 1.718 24 C CB -1.352 26.415 27.740 0.044 0.000 2.031 24 C HN 0.695 nan 8.230 nan 0.000 0.480 25 A N 0.460 123.291 122.820 0.019 0.000 1.883 25 A HA -0.228 4.092 4.320 0.000 0.000 0.217 25 A C 2.211 179.788 177.584 -0.013 0.000 1.186 25 A CA 2.126 54.163 52.037 0.001 0.000 0.624 25 A CB -0.658 18.341 19.000 -0.001 0.000 0.822 25 A HN 0.769 nan 8.150 nan 0.000 0.444 26 K N -0.979 119.413 120.400 -0.013 0.000 2.026 26 K HA -0.169 4.151 4.320 0.000 0.000 0.208 26 K C 2.161 178.751 176.600 -0.017 0.000 1.048 26 K CA 1.509 57.782 56.287 -0.022 0.000 0.929 26 K CB -0.135 32.350 32.500 -0.025 0.000 0.713 26 K HN 0.491 nan 8.250 nan 0.000 0.439 27 E N 1.119 121.317 120.200 -0.003 0.000 2.077 27 E HA -0.163 4.187 4.350 0.000 0.000 0.193 27 E C 1.745 178.357 176.600 0.019 0.000 0.989 27 E CA 1.504 57.909 56.400 0.008 0.000 0.800 27 E CB -0.150 29.560 29.700 0.017 0.000 0.746 27 E HN 0.300 nan 8.360 nan 0.000 0.452 28 A N -0.133 122.700 122.820 0.022 0.000 1.933 28 A HA -0.125 4.195 4.320 0.000 0.000 0.218 28 A C 2.456 179.959 177.584 -0.135 0.000 1.175 28 A CA 1.585 53.621 52.037 -0.002 0.000 0.628 28 A CB -0.632 18.364 19.000 -0.007 0.000 0.814 28 A HN 0.201 nan 8.150 nan 0.000 0.444 29 V N -0.320 119.534 119.914 -0.100 0.000 2.427 29 V HA -0.197 3.923 4.120 0.000 0.000 0.248 29 V C 2.423 178.477 176.094 -0.068 0.000 1.051 29 V CA 1.687 63.928 62.300 -0.098 0.000 1.048 29 V CB -0.781 31.003 31.823 -0.064 0.000 0.666 29 V HN 0.561 nan 8.190 nan 0.000 0.456 30 L N 1.178 122.376 121.223 -0.041 0.000 2.129 30 L HA -0.141 4.199 4.340 0.000 0.000 0.212 30 L C 1.288 178.148 176.870 -0.017 0.000 1.087 30 L CA 1.960 56.786 54.840 -0.024 0.000 0.757 30 L CB -0.862 41.190 42.059 -0.013 0.000 0.896 30 L HN 0.433 nan 8.230 nan 0.000 0.434 31 N N -0.293 118.399 118.700 -0.013 0.000 2.451 31 N HA 0.409 5.149 4.740 0.000 0.000 0.264 31 N C 0.828 176.322 175.510 -0.026 0.000 1.167 31 N CA 0.622 53.680 53.050 0.014 0.000 0.898 31 N CB 0.483 39.023 38.487 0.089 0.000 1.176 31 N HN 0.328 nan 8.380 nan 0.000 0.507 32 G N -0.708 108.050 108.800 -0.071 0.000 2.179 32 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 32 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 32 G C 0.303 175.105 174.900 -0.165 0.000 0.977 32 G CA 0.090 45.139 45.100 -0.084 0.000 0.641 32 G HN 0.632 nan 8.290 nan 0.000 0.533 33 A N -0.073 122.553 122.820 -0.324 0.000 2.340 33 A HA 0.846 5.166 4.320 0.000 0.000 0.268 33 A C 0.762 178.195 177.584 -0.253 0.000 1.100 33 A CA 1.099 52.843 52.037 -0.489 0.000 0.803 33 A CB 0.308 18.582 19.000 -1.211 0.000 1.043 33 A HN 1.925 nan 8.150 nan 0.000 0.488 34 R N 1.121 121.524 120.500 -0.163 0.000 2.248 34 R HA 0.544 4.884 4.340 0.000 0.000 0.337 34 R C -0.375 175.961 176.300 0.060 0.000 1.085 34 R CA 0.274 56.356 56.100 -0.029 0.000 0.934 34 R CB 0.083 30.369 30.300 -0.023 0.000 1.034 34 R HN 1.858 nan 8.270 nan 0.000 0.465 35 V N 1.073 121.021 119.914 0.057 0.000 2.823 35 V HA 0.934 5.054 4.120 0.000 0.000 0.312 35 V C -0.527 175.513 176.094 -0.090 0.000 1.072 35 V CA -0.267 62.027 62.300 -0.009 0.000 0.937 35 V CB 2.124 33.897 31.823 -0.083 0.000 1.013 35 V HN 1.279 nan 8.190 nan 0.000 0.430 36 A N 4.677 127.284 122.820 -0.355 0.000 2.355 36 A HA 0.855 5.175 4.320 0.000 0.000 0.324 36 A C -0.749 176.699 177.584 -0.226 0.000 1.117 36 A CA -0.317 51.451 52.037 -0.448 0.000 0.785 36 A CB 1.576 19.945 19.000 -1.051 0.000 1.254 36 A HN 1.624 nan 8.150 nan 0.000 0.453 37 C N 3.090 122.327 119.300 -0.106 0.000 2.397 37 C HA 0.717 5.177 4.460 0.000 0.000 0.325 37 C C -1.201 173.819 174.990 0.049 0.000 1.201 37 C CA -0.597 58.419 59.018 -0.004 0.000 1.377 37 C CB -0.512 27.259 27.740 0.052 0.000 2.038 37 C HN 0.798 nan 8.230 nan 0.000 0.457 38 L N 4.966 126.211 121.223 0.036 0.000 2.307 38 L HA 0.620 4.960 4.340 0.000 0.000 0.282 38 L C -0.179 176.779 176.870 0.146 0.000 1.051 38 L CA 0.754 55.622 54.840 0.047 0.000 0.804 38 L CB 1.364 43.424 42.059 0.001 0.000 1.197 38 L HN 0.720 nan 8.230 nan 0.000 0.431 39 D N 1.897 122.430 120.400 0.223 0.000 2.936 39 D HA 0.492 5.132 4.640 0.000 0.000 0.238 39 D C -1.734 174.741 176.300 0.292 0.000 1.248 39 D CA -0.241 53.923 54.000 0.273 0.000 0.903 39 D CB 1.249 42.252 40.800 0.338 0.000 1.544 39 D HN 0.173 nan 8.370 nan 0.000 0.543 40 F N 3.410 123.396 119.950 0.060 0.000 2.576 40 F HA 0.632 5.159 4.527 0.000 0.000 0.313 40 F C -1.407 174.375 175.800 -0.030 0.000 1.078 40 F CA -0.703 57.302 58.000 0.008 0.000 0.921 40 F CB 1.867 40.855 39.000 -0.020 0.000 1.232 40 F HN 0.136 nan 8.300 nan 0.000 0.459 41 V N 5.627 125.027 119.914 -0.857 0.000 2.304 41 V HA 0.276 4.396 4.120 0.000 0.000 0.278 41 V C -0.206 175.370 176.094 -0.864 0.000 1.018 41 V CA -1.031 60.824 62.300 -0.743 0.000 0.814 41 V CB 1.135 32.420 31.823 -0.897 0.000 1.021 41 V HN 0.666 nan 8.190 nan 0.000 0.440 42 K N 6.290 126.485 120.400 -0.343 0.000 2.416 42 K HA 0.261 4.582 4.320 0.000 0.000 0.283 42 K C -2.360 174.103 176.600 -0.227 0.000 1.037 42 K CA -1.243 54.986 56.287 -0.097 0.000 0.995 42 K CB 0.769 33.323 32.500 0.091 0.000 0.938 42 K HN 0.365 nan 8.250 nan 0.000 0.475 43 P HA 0.005 nan 4.420 nan 0.000 0.276 43 P C -0.786 176.496 177.300 -0.030 0.000 1.230 43 P CA -0.412 62.598 63.100 -0.151 0.000 0.776 43 P CB 0.785 32.435 31.700 -0.084 0.000 0.888 44 T N 1.432 116.005 114.554 0.031 0.000 2.946 44 T HA 0.173 4.523 4.350 0.000 0.000 0.311 44 T C -2.086 172.667 174.700 0.089 0.000 1.063 44 T CA -1.332 60.845 62.100 0.129 0.000 1.139 44 T CB -0.545 68.459 68.868 0.226 0.000 0.994 44 T HN 0.261 nan 8.240 nan 0.000 0.547 45 P HA 0.161 nan 4.420 nan 0.000 0.268 45 P C -0.308 176.999 177.300 0.011 0.000 1.204 45 P CA 0.233 63.329 63.100 -0.006 0.000 0.768 45 P CB -0.088 31.545 31.700 -0.112 0.000 0.842 46 T N 2.019 116.573 114.554 -0.000 0.000 0.546 46 T HA -0.191 4.159 4.350 0.000 0.000 0.773 46 T C 0.910 175.647 174.700 0.063 0.000 0.992 46 T CA 0.406 62.516 62.100 0.018 0.000 4.073 46 T CB -1.164 67.704 68.868 0.000 0.000 2.301 46 T HN 0.635 nan 8.240 nan 0.000 0.397 47 L N 0.652 121.911 121.223 0.061 0.000 3.121 47 L HA -0.271 4.069 4.340 0.000 0.000 0.404 47 L C 1.877 178.793 176.870 0.078 0.000 0.695 47 L CA 1.589 56.477 54.840 0.080 0.000 3.096 47 L CB -1.813 40.310 42.059 0.107 0.000 0.683 47 L HN 2.126 nan 8.230 nan 0.000 0.743 48 G N 0.461 109.303 108.800 0.071 0.000 2.179 48 G HA2 -0.293 3.667 3.960 0.000 0.000 0.257 48 G HA3 -0.293 3.667 3.960 0.000 0.000 0.257 48 G C 0.258 175.188 174.900 0.050 0.000 1.010 48 G CA 0.732 45.860 45.100 0.047 0.000 0.736 48 G HN 0.447 nan 8.290 nan 0.000 0.513 49 T N 0.201 114.820 114.554 0.108 0.000 2.933 49 T HA 0.435 4.786 4.350 0.000 0.000 0.306 49 T C 0.471 175.211 174.700 0.067 0.000 1.045 49 T CA 1.119 63.323 62.100 0.173 0.000 1.143 49 T CB 0.939 69.991 68.868 0.307 0.000 1.003 49 T HN 1.079 nan 8.240 nan 0.000 0.540 50 K N 0.840 121.280 120.400 0.067 0.000 2.536 50 K HA 0.747 5.067 4.320 0.000 0.000 0.269 50 K C -1.710 174.931 176.600 0.068 0.000 0.965 50 K CA -1.252 54.889 56.287 -0.244 0.000 0.860 50 K CB 1.549 33.891 32.500 -0.265 0.000 1.423 50 K HN 0.726 nan 8.250 nan 0.000 0.438 51 W N -0.365 120.916 121.300 -0.031 0.000 3.042 51 W HA 0.768 5.429 4.660 0.000 0.000 0.342 51 W C -0.169 176.331 176.519 -0.033 0.000 1.240 51 W CA -1.203 56.131 57.345 -0.018 0.000 1.166 51 W CB 0.255 29.715 29.460 -0.001 0.000 1.469 51 W HN 0.796 nan 8.180 nan 0.000 0.579 52 G N 0.339 109.281 108.800 0.236 0.000 2.489 52 G HA2 0.374 4.334 3.960 0.000 0.000 0.271 52 G HA3 0.374 4.334 3.960 0.000 0.000 0.271 52 G C -0.640 174.337 174.900 0.128 0.000 1.427 52 G CA -0.534 44.640 45.100 0.124 0.000 1.057 52 G HN 0.736 nan 8.290 nan 0.000 0.532 53 V N -0.802 119.126 119.914 0.024 0.000 3.133 53 V HA 0.550 4.670 4.120 0.000 0.000 0.305 53 V C 1.433 177.509 176.094 -0.030 0.000 1.084 53 V CA 1.595 63.861 62.300 -0.056 0.000 1.089 53 V CB 1.132 32.736 31.823 -0.365 0.000 1.073 53 V HN 1.931 nan 8.190 nan 0.000 0.477 54 G N 2.258 111.042 108.800 -0.027 0.000 2.296 54 G HA2 0.279 4.239 3.960 0.000 0.000 0.188 54 G HA3 0.279 4.239 3.960 0.000 0.000 0.188 54 G C 1.195 176.114 174.900 0.031 0.000 1.000 54 G CA 0.371 45.459 45.100 -0.020 0.000 0.672 54 G HN 2.418 nan 8.290 nan 0.000 0.483 55 G N -1.213 107.648 108.800 0.103 0.000 2.615 55 G HA2 0.103 4.063 3.960 0.000 0.000 0.218 55 G HA3 0.103 4.063 3.960 0.000 0.000 0.218 55 G C 0.733 175.703 174.900 0.116 0.000 1.339 55 G CA 0.723 45.905 45.100 0.137 0.000 0.884 55 G HN 1.122 nan 8.290 nan 0.000 0.559 56 T N -0.481 114.130 114.554 0.095 0.000 2.812 56 T HA -0.093 4.258 4.350 0.000 0.000 0.264 56 T C 2.450 177.113 174.700 -0.061 0.000 1.042 56 T CA 2.401 64.517 62.100 0.027 0.000 1.140 56 T CB -0.528 68.393 68.868 0.088 0.000 0.870 56 T HN 0.988 nan 8.240 nan 0.000 0.445 57 c N 1.217 119.804 118.600 -0.022 0.000 2.413 57 c HA -0.068 4.502 4.570 0.000 0.000 0.278 57 c C 2.745 176.768 174.090 -0.113 0.000 1.224 57 c CA 0.741 57.043 56.329 -0.045 0.000 1.732 57 c CB -1.183 41.322 42.510 -0.009 0.000 2.050 57 c HN 0.362 nan 8.230 nan 0.000 0.463 58 V N 1.927 121.781 119.914 -0.100 0.000 2.295 58 V HA -0.176 3.944 4.120 0.000 0.000 0.246 58 V C 2.336 178.317 176.094 -0.188 0.000 1.049 58 V CA 2.437 64.664 62.300 -0.123 0.000 1.024 58 V CB -0.715 31.054 31.823 -0.090 0.000 0.648 58 V HN 0.592 nan 8.190 nan 0.000 0.447 59 N N 0.132 118.689 118.700 -0.239 0.000 2.305 59 N HA -0.007 4.733 4.740 0.000 0.000 0.179 59 N C 1.103 176.291 175.510 -0.536 0.000 1.019 59 N CA 1.776 54.594 53.050 -0.386 0.000 0.869 59 N CB 0.738 38.898 38.487 -0.545 0.000 1.000 59 N HN 0.546 nan 8.380 nan 0.000 0.431 60 V N -3.511 116.087 119.914 -0.526 0.000 3.157 60 V HA 0.665 4.785 4.120 0.000 0.000 0.361 60 V C 0.402 176.418 176.094 -0.131 0.000 1.421 60 V CA -0.223 61.854 62.300 -0.371 0.000 1.213 60 V CB 0.570 31.997 31.823 -0.660 0.000 1.164 60 V HN 0.148 nan 8.190 nan 0.000 0.559 61 G N -0.052 108.603 108.800 -0.242 0.000 3.354 61 G HA2 0.228 4.189 3.960 0.000 0.000 0.174 61 G HA3 0.228 4.189 3.960 0.000 0.000 0.174 61 G C 0.932 175.740 174.900 -0.154 0.000 1.140 61 G CA 0.645 45.694 45.100 -0.085 0.000 0.897 61 G HN 0.277 nan 8.290 nan 0.000 0.685 62 c N 0.992 119.558 118.600 -0.056 0.000 2.385 62 c HA -0.066 4.504 4.570 0.000 0.000 0.275 62 c C 2.710 176.691 174.090 -0.181 0.000 1.207 62 c CA 0.578 56.872 56.329 -0.058 0.000 1.760 62 c CB -1.314 41.187 42.510 -0.015 0.000 2.051 62 c HN 0.396 nan 8.230 nan 0.000 0.467 63 I N 2.323 122.768 120.570 -0.208 0.000 2.141 63 I HA -0.050 4.120 4.170 0.000 0.000 0.236 63 I C 0.169 176.094 176.117 -0.321 0.000 1.071 63 I CA 1.320 62.496 61.300 -0.208 0.000 1.345 63 I CB -2.797 35.140 38.000 -0.105 0.000 1.066 63 I HN 0.181 nan 8.210 nan 0.000 0.406 64 P HA -0.224 nan 4.420 nan 0.000 0.216 64 P C 1.670 178.504 177.300 -0.776 0.000 1.153 64 P CA 1.657 64.335 63.100 -0.703 0.000 0.858 64 P CB -0.153 30.883 31.700 -1.107 0.000 0.789 65 K N 0.807 120.704 120.400 -0.838 0.000 2.020 65 K HA -0.203 4.117 4.320 0.000 0.000 0.212 65 K C 2.126 178.609 176.600 -0.194 0.000 1.050 65 K CA 1.711 57.842 56.287 -0.260 0.000 0.929 65 K CB -0.553 31.968 32.500 0.034 0.000 0.714 65 K HN -0.010 nan 8.250 nan 0.000 0.443 66 K N 0.684 120.929 120.400 -0.258 0.000 2.097 66 K HA -0.060 4.261 4.320 0.000 0.000 0.205 66 K C 2.317 178.807 176.600 -0.183 0.000 1.050 66 K CA 0.832 56.962 56.287 -0.261 0.000 0.938 66 K CB -0.112 32.168 32.500 -0.365 0.000 0.718 66 K HN 0.212 nan 8.250 nan 0.000 0.442 67 L N 0.375 121.455 121.223 -0.239 0.000 2.093 67 L HA -0.153 4.187 4.340 0.000 0.000 0.208 67 L C 2.561 179.296 176.870 -0.226 0.000 1.085 67 L CA 0.828 55.533 54.840 -0.225 0.000 0.755 67 L CB -0.337 41.581 42.059 -0.235 0.000 0.904 67 L HN 0.158 nan 8.230 nan 0.000 0.435 68 M N -1.188 118.216 119.600 -0.327 0.000 2.175 68 M HA -0.216 4.264 4.480 0.000 0.000 0.264 68 M C 2.331 178.494 176.300 -0.228 0.000 1.063 68 M CA 1.615 56.651 55.300 -0.440 0.000 1.119 68 M CB -1.200 30.744 32.600 -1.093 0.000 1.377 68 M HN 0.403 nan 8.290 nan 0.000 0.415 69 H N 0.294 119.241 119.070 -0.206 0.000 2.321 69 H HA -0.208 4.348 4.556 0.000 0.000 0.300 69 H C 2.150 177.492 175.328 0.023 0.000 1.087 69 H CA 2.074 58.157 56.048 0.059 0.000 1.319 69 H CB 0.163 29.991 29.762 0.110 0.000 1.379 69 H HN 0.313 nan 8.280 nan 0.000 0.501 70 Q N 1.058 120.787 119.800 -0.118 0.000 2.084 70 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 70 Q C 2.335 178.252 176.000 -0.137 0.000 0.978 70 Q CA 1.943 57.643 55.803 -0.172 0.000 0.844 70 Q CB -0.519 28.137 28.738 -0.137 0.000 0.898 70 Q HN 0.508 nan 8.270 nan 0.000 0.426 71 A N -0.468 122.287 122.820 -0.107 0.000 1.902 71 A HA -0.172 4.148 4.320 0.000 0.000 0.217 71 A C 2.301 179.861 177.584 -0.040 0.000 1.181 71 A CA 1.874 53.864 52.037 -0.078 0.000 0.623 71 A CB -1.121 17.836 19.000 -0.072 0.000 0.818 71 A HN 0.473 nan 8.150 nan 0.000 0.443 72 S N -0.910 114.792 115.700 0.002 0.000 2.355 72 S HA -0.105 4.365 4.470 0.000 0.000 0.222 72 S C 1.889 176.482 174.600 -0.012 0.000 1.031 72 S CA 1.389 59.620 58.200 0.051 0.000 0.993 72 S CB -0.406 62.899 63.200 0.175 0.000 0.859 72 S HN 0.289 nan 8.310 nan 0.000 0.453 73 L N 1.602 122.765 121.223 -0.099 0.000 2.042 73 L HA 0.014 4.355 4.340 0.000 0.000 0.210 73 L C 2.263 179.081 176.870 -0.087 0.000 1.076 73 L CA 1.564 56.334 54.840 -0.116 0.000 0.749 73 L CB -0.977 40.953 42.059 -0.215 0.000 0.893 73 L HN 0.381 nan 8.230 nan 0.000 0.432 74 L N -1.612 119.551 121.223 -0.100 0.000 2.217 74 L HA -0.092 4.248 4.340 0.000 0.000 0.211 74 L C 2.429 179.220 176.870 -0.132 0.000 1.107 74 L CA 0.977 55.748 54.840 -0.114 0.000 0.783 74 L CB -0.947 41.042 42.059 -0.117 0.000 0.919 74 L HN 0.380 nan 8.230 nan 0.000 0.442 75 G N -0.205 108.529 108.800 -0.110 0.000 2.421 75 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 75 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 75 G C 1.376 176.176 174.900 -0.166 0.000 1.171 75 G CA 0.573 45.580 45.100 -0.155 0.000 0.775 75 G HN 0.416 nan 8.290 nan 0.000 0.543 76 E N 0.791 120.979 120.200 -0.020 0.000 2.058 76 E HA -0.120 4.230 4.350 0.000 0.000 0.194 76 E C 2.944 179.528 176.600 -0.027 0.000 0.997 76 E CA 0.869 57.294 56.400 0.041 0.000 0.801 76 E CB -0.289 29.424 29.700 0.022 0.000 0.746 76 E HN 0.400 nan 8.360 nan 0.000 0.450 77 A N 1.294 124.066 122.820 -0.081 0.000 1.917 77 A HA -0.187 4.133 4.320 0.000 0.000 0.219 77 A C 2.576 180.067 177.584 -0.156 0.000 1.182 77 A CA 1.514 53.483 52.037 -0.114 0.000 0.633 77 A CB -0.848 18.071 19.000 -0.135 0.000 0.819 77 A HN 0.130 nan 8.150 nan 0.000 0.448 78 V N -0.105 119.679 119.914 -0.216 0.000 2.287 78 V HA -0.284 3.836 4.120 0.000 0.000 0.248 78 V C 2.435 178.409 176.094 -0.199 0.000 1.053 78 V CA 2.196 64.337 62.300 -0.265 0.000 1.027 78 V CB -1.126 30.489 31.823 -0.347 0.000 0.646 78 V HN 0.678 nan 8.190 nan 0.000 0.447 79 H N 0.221 119.274 119.070 -0.029 0.000 2.423 79 H HA -0.082 4.474 4.556 0.000 0.000 0.297 79 H C 2.315 177.659 175.328 0.027 0.000 1.075 79 H CA 1.576 57.622 56.048 -0.003 0.000 1.342 79 H CB -0.039 29.716 29.762 -0.012 0.000 1.395 79 H HN 0.596 nan 8.280 nan 0.000 0.530 80 E N 0.432 120.706 120.200 0.123 0.000 2.216 80 E HA 0.033 4.383 4.350 0.000 0.000 0.192 80 E C 2.391 179.136 176.600 0.241 0.000 0.988 80 E CA 0.503 56.999 56.400 0.159 0.000 0.834 80 E CB 0.117 29.887 29.700 0.118 0.000 0.772 80 E HN 0.349 nan 8.360 nan 0.000 0.479 81 A N 1.660 124.549 122.820 0.116 0.000 1.978 81 A HA -0.177 4.143 4.320 0.000 0.000 0.220 81 A C 2.396 180.215 177.584 0.391 0.000 1.170 81 A CA 1.644 53.771 52.037 0.149 0.000 0.636 81 A CB -0.601 18.303 19.000 -0.160 0.000 0.810 81 A HN 0.297 nan 8.150 nan 0.000 0.448 82 A N -0.190 122.793 122.820 0.271 0.000 1.972 82 A HA 0.151 4.471 4.320 0.000 0.000 0.219 82 A C 2.436 180.156 177.584 0.227 0.000 1.169 82 A CA 1.930 54.113 52.037 0.244 0.000 0.635 82 A CB -0.882 18.218 19.000 0.167 0.000 0.810 82 A HN 1.103 nan 8.150 nan 0.000 0.446 83 A N -1.755 121.206 122.820 0.236 0.000 2.019 83 A HA -0.048 4.272 4.320 0.000 0.000 0.219 83 A C 1.844 179.456 177.584 0.047 0.000 1.164 83 A CA 1.263 53.370 52.037 0.116 0.000 0.644 83 A CB -0.680 18.361 19.000 0.069 0.000 0.805 83 A HN 0.638 nan 8.150 nan 0.000 0.449 84 Y N -1.301 119.092 120.300 0.156 0.000 2.490 84 Y HA 0.320 4.870 4.550 0.000 0.000 0.281 84 Y C 1.861 177.792 175.900 0.053 0.000 1.174 84 Y CA 0.563 58.751 58.100 0.146 0.000 1.295 84 Y CB 0.367 38.981 38.460 0.258 0.000 1.062 84 Y HN 0.447 nan 8.280 nan 0.000 0.522 85 G N -1.615 107.286 108.800 0.168 0.000 2.184 85 G HA2 -0.244 3.716 3.960 0.000 0.000 0.206 85 G HA3 -0.244 3.716 3.960 0.000 0.000 0.206 85 G C -0.296 174.590 174.900 -0.024 0.000 0.995 85 G CA -0.662 44.448 45.100 0.017 0.000 0.651 85 G HN 0.242 nan 8.290 nan 0.000 0.511 86 W N 2.370 123.721 121.300 0.085 0.000 2.253 86 W HA 0.466 5.126 4.660 0.000 0.000 0.322 86 W C 1.068 177.612 176.519 0.042 0.000 1.342 86 W CA -0.093 57.284 57.345 0.053 0.000 1.218 86 W CB 0.490 29.976 29.460 0.043 0.000 1.205 86 W HN 0.304 nan 8.180 nan 0.000 0.551 87 N N 2.455 121.300 118.700 0.241 0.000 2.906 87 N HA -0.006 4.734 4.740 0.000 0.000 0.282 87 N C -0.562 175.038 175.510 0.149 0.000 1.293 87 N CA -0.013 53.128 53.050 0.152 0.000 1.059 87 N CB -0.885 37.659 38.487 0.095 0.000 1.388 87 N HN 0.100 nan 8.380 nan 0.000 0.533 88 V N -0.069 119.947 119.914 0.169 0.000 2.715 88 V HA 0.020 4.140 4.120 0.000 0.000 0.299 88 V C 0.803 176.945 176.094 0.079 0.000 1.054 88 V CA -0.555 61.806 62.300 0.103 0.000 1.077 88 V CB 0.712 32.578 31.823 0.072 0.000 0.972 88 V HN 0.335 nan 8.190 nan 0.000 0.484 89 D N 2.437 122.869 120.400 0.053 0.000 2.304 89 D HA 0.068 4.708 4.640 0.000 0.000 0.250 89 D C 0.592 176.932 176.300 0.067 0.000 1.107 89 D CA -0.252 53.779 54.000 0.052 0.000 0.885 89 D CB 1.629 42.451 40.800 0.036 0.000 1.192 89 D HN 0.550 nan 8.370 nan 0.000 0.436 90 D N 1.743 122.192 120.400 0.082 0.000 2.097 90 D HA -0.127 4.514 4.640 0.000 0.000 0.197 90 D C 0.498 176.880 176.300 0.136 0.000 0.984 90 D CA 1.092 55.164 54.000 0.121 0.000 0.826 90 D CB 0.154 40.998 40.800 0.074 0.000 0.973 90 D HN 0.198 nan 8.370 nan 0.000 0.460 91 K N 1.329 121.776 120.400 0.078 0.000 2.142 91 K HA 0.227 4.547 4.320 0.000 0.000 0.250 91 K C -0.398 176.234 176.600 0.053 0.000 1.148 91 K CA -0.183 56.143 56.287 0.064 0.000 1.040 91 K CB -0.839 31.682 32.500 0.036 0.000 1.569 91 K HN 0.165 nan 8.250 nan 0.000 0.361 92 I N -0.917 119.696 120.570 0.072 0.000 2.562 92 I HA 0.668 4.838 4.170 0.000 0.000 0.301 92 I C -0.533 175.597 176.117 0.022 0.000 1.003 92 I CA -1.146 60.167 61.300 0.022 0.000 1.127 92 I CB 1.954 39.932 38.000 -0.037 0.000 1.304 92 I HN 0.052 nan 8.210 nan 0.000 0.446 93 K N 5.287 125.686 120.400 -0.000 0.000 2.501 93 K HA 0.628 4.948 4.320 0.000 0.000 0.252 93 K C -2.866 173.727 176.600 -0.011 0.000 0.934 93 K CA -1.266 55.014 56.287 -0.011 0.000 0.797 93 K CB 1.615 34.111 32.500 -0.007 0.000 1.270 93 K HN 0.664 nan 8.250 nan 0.000 0.431 94 P HA 0.251 nan 4.420 nan 0.000 0.282 94 P C -1.111 176.217 177.300 0.048 0.000 1.249 94 P CA -0.342 62.765 63.100 0.012 0.000 0.806 94 P CB 0.900 32.617 31.700 0.029 0.000 0.984 95 D N 1.885 122.317 120.400 0.053 0.000 2.347 95 D HA -0.009 4.631 4.640 0.000 0.000 0.235 95 D C 0.980 177.326 176.300 0.076 0.000 1.149 95 D CA -0.461 53.582 54.000 0.072 0.000 0.850 95 D CB 0.299 41.139 40.800 0.066 0.000 1.061 95 D HN 0.466 nan 8.370 nan 0.000 0.487 96 W N 5.446 126.672 121.300 -0.124 0.000 2.363 96 W HA -0.215 4.446 4.660 0.000 0.000 0.296 96 W C 1.012 177.442 176.519 -0.149 0.000 1.212 96 W CA 1.139 58.408 57.345 -0.126 0.000 1.260 96 W CB 0.083 29.462 29.460 -0.135 0.000 1.131 96 W HN 0.625 nan 8.180 nan 0.000 0.530 97 H N 0.228 119.354 119.070 0.092 0.000 2.428 97 H HA -0.046 4.511 4.556 0.000 0.000 0.296 97 H C 2.006 177.280 175.328 -0.090 0.000 1.062 97 H CA 1.275 57.304 56.048 -0.031 0.000 1.350 97 H CB -0.496 29.309 29.762 0.073 0.000 1.403 97 H HN 0.186 nan 8.280 nan 0.000 0.533 98 K N 0.350 120.771 120.400 0.035 0.000 2.057 98 K HA -0.089 4.231 4.320 0.000 0.000 0.206 98 K C 2.184 178.728 176.600 -0.093 0.000 1.050 98 K CA 0.572 56.851 56.287 -0.013 0.000 0.935 98 K CB -0.030 32.474 32.500 0.007 0.000 0.715 98 K HN -0.006 nan 8.250 nan 0.000 0.439 99 L N 0.642 121.772 121.223 -0.156 0.000 2.005 99 L HA -0.150 4.190 4.340 0.000 0.000 0.207 99 L C 1.921 178.604 176.870 -0.313 0.000 1.072 99 L CA 1.517 56.223 54.840 -0.222 0.000 0.744 99 L CB -0.558 41.364 42.059 -0.229 0.000 0.895 99 L HN -0.085 nan 8.230 nan 0.000 0.433 100 V N -0.170 119.449 119.914 -0.492 0.000 2.278 100 V HA -0.427 3.693 4.120 0.000 0.000 0.251 100 V C 2.659 178.637 176.094 -0.194 0.000 1.062 100 V CA 2.277 64.325 62.300 -0.420 0.000 1.038 100 V CB -0.713 30.818 31.823 -0.488 0.000 0.646 100 V HN 0.661 nan 8.190 nan 0.000 0.447 101 Q N -0.334 119.387 119.800 -0.132 0.000 2.014 101 Q HA -0.239 4.101 4.340 0.000 0.000 0.207 101 Q C 2.441 178.403 176.000 -0.063 0.000 0.993 101 Q CA 2.571 58.335 55.803 -0.066 0.000 0.850 101 Q CB -0.243 28.473 28.738 -0.037 0.000 0.916 101 Q HN 0.651 nan 8.270 nan 0.000 0.417 102 S N -0.622 115.031 115.700 -0.079 0.000 2.359 102 S HA -0.162 4.308 4.470 0.000 0.000 0.224 102 S C 1.940 176.503 174.600 -0.062 0.000 1.035 102 S CA 1.356 59.514 58.200 -0.069 0.000 1.018 102 S CB -0.356 62.791 63.200 -0.087 0.000 0.876 102 S HN 0.258 nan 8.310 nan 0.000 0.448 103 V N 1.898 121.752 119.914 -0.101 0.000 2.261 103 V HA -0.176 3.944 4.120 0.000 0.000 0.246 103 V C 2.629 178.697 176.094 -0.044 0.000 1.047 103 V CA 1.583 63.827 62.300 -0.095 0.000 1.015 103 V CB -0.609 31.119 31.823 -0.159 0.000 0.642 103 V HN 0.403 nan 8.190 nan 0.000 0.446 104 Q N -0.171 119.598 119.800 -0.052 0.000 2.167 104 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 104 Q C 2.124 178.116 176.000 -0.012 0.000 0.970 104 Q CA 1.177 56.964 55.803 -0.027 0.000 0.855 104 Q CB -0.673 28.056 28.738 -0.015 0.000 0.911 104 Q HN 0.638 nan 8.270 nan 0.000 0.438 105 N N 0.241 118.938 118.700 -0.006 0.000 2.084 105 N HA -0.168 4.572 4.740 0.000 0.000 0.190 105 N C 1.649 177.173 175.510 0.024 0.000 1.030 105 N CA 1.176 54.229 53.050 0.004 0.000 0.849 105 N CB -0.634 37.854 38.487 0.002 0.000 1.012 105 N HN 0.470 nan 8.380 nan 0.000 0.423 106 H N 0.664 119.702 119.070 -0.054 0.000 2.321 106 H HA -0.017 4.539 4.556 0.000 0.000 0.300 106 H C 2.037 177.338 175.328 -0.044 0.000 1.087 106 H CA 1.315 57.331 56.048 -0.053 0.000 1.319 106 H CB -0.126 29.590 29.762 -0.077 0.000 1.379 106 H HN 0.143 nan 8.280 nan 0.000 0.501 107 I N 0.954 121.419 120.570 -0.176 0.000 2.208 107 I HA -0.271 3.899 4.170 0.000 0.000 0.245 107 I C 2.491 178.529 176.117 -0.132 0.000 1.097 107 I CA 1.117 62.295 61.300 -0.204 0.000 1.363 107 I CB -0.140 37.795 38.000 -0.109 0.000 1.051 107 I HN 0.173 nan 8.210 nan 0.000 0.413 108 K N 0.396 120.760 120.400 -0.060 0.000 2.097 108 K HA -0.033 4.287 4.320 0.000 0.000 0.205 108 K C 2.252 178.862 176.600 0.016 0.000 1.050 108 K CA 1.093 57.379 56.287 -0.002 0.000 0.938 108 K CB -0.443 32.062 32.500 0.009 0.000 0.718 108 K HN 0.224 nan 8.250 nan 0.000 0.442 109 S N 1.130 116.815 115.700 -0.026 0.000 2.368 109 S HA -0.088 4.382 4.470 0.000 0.000 0.225 109 S C 2.220 176.819 174.600 -0.002 0.000 1.030 109 S CA 1.160 59.365 58.200 0.009 0.000 0.999 109 S CB -0.235 62.959 63.200 -0.009 0.000 0.844 109 S HN 0.012 nan 8.310 nan 0.000 0.459 110 V N 2.983 122.810 119.914 -0.145 0.000 2.358 110 V HA -0.159 3.962 4.120 0.000 0.000 0.246 110 V C 2.136 178.185 176.094 -0.074 0.000 1.047 110 V CA 1.434 63.641 62.300 -0.155 0.000 1.035 110 V CB -0.885 30.757 31.823 -0.301 0.000 0.658 110 V HN 0.397 nan 8.190 nan 0.000 0.452 111 N N -0.334 118.344 118.700 -0.038 0.000 2.036 111 N HA -0.247 4.493 4.740 0.000 0.000 0.195 111 N C 1.595 177.123 175.510 0.030 0.000 1.037 111 N CA 2.034 55.084 53.050 0.000 0.000 0.855 111 N CB -0.499 38.018 38.487 0.051 0.000 1.033 111 N HN 0.734 nan 8.380 nan 0.000 0.423 112 W N 1.728 122.988 121.300 -0.067 0.000 2.355 112 W HA -0.124 4.536 4.660 0.000 0.000 0.309 112 W C 1.668 178.156 176.519 -0.052 0.000 1.206 112 W CA 0.899 58.215 57.345 -0.049 0.000 1.284 112 W CB -0.307 29.131 29.460 -0.036 0.000 1.145 112 W HN -0.168 nan 8.180 nan 0.000 0.502 113 V N 1.540 121.398 119.914 -0.094 0.000 2.332 113 V HA -0.350 3.770 4.120 0.000 0.000 0.248 113 V C 2.351 178.304 176.094 -0.234 0.000 1.055 113 V CA 2.613 64.809 62.300 -0.173 0.000 1.038 113 V CB -1.301 30.500 31.823 -0.038 0.000 0.651 113 V HN 0.204 nan 8.190 nan 0.000 0.450 114 T N -0.527 113.911 114.554 -0.193 0.000 2.746 114 T HA -0.199 4.151 4.350 0.000 0.000 0.267 114 T C 2.043 176.582 174.700 -0.268 0.000 1.039 114 T CA 1.432 63.415 62.100 -0.196 0.000 1.142 114 T CB -0.253 68.518 68.868 -0.162 0.000 0.866 114 T HN 0.423 nan 8.240 nan 0.000 0.444 115 R N 0.341 120.634 120.500 -0.345 0.000 2.081 115 R HA -0.039 4.301 4.340 0.000 0.000 0.235 115 R C 2.527 178.576 176.300 -0.418 0.000 1.131 115 R CA 1.040 56.905 56.100 -0.392 0.000 0.960 115 R CB -0.703 29.356 30.300 -0.402 0.000 0.856 115 R HN 0.254 nan 8.270 nan 0.000 0.436 116 V N 1.094 120.662 119.914 -0.576 0.000 2.358 116 V HA -0.219 3.901 4.120 0.000 0.000 0.246 116 V C 1.814 177.752 176.094 -0.259 0.000 1.047 116 V CA 2.029 64.045 62.300 -0.474 0.000 1.035 116 V CB -0.460 31.029 31.823 -0.558 0.000 0.658 116 V HN 0.288 nan 8.190 nan 0.000 0.452 117 D N -0.049 120.215 120.400 -0.227 0.000 2.144 117 D HA -0.141 4.499 4.640 0.000 0.000 0.199 117 D C 2.065 178.292 176.300 -0.122 0.000 0.984 117 D CA 1.284 55.197 54.000 -0.146 0.000 0.834 117 D CB -0.103 40.620 40.800 -0.129 0.000 0.955 117 D HN 0.356 nan 8.370 nan 0.000 0.465 118 L N -0.130 121.008 121.223 -0.141 0.000 2.027 118 L HA -0.100 4.241 4.340 0.000 0.000 0.206 118 L C 2.790 179.618 176.870 -0.070 0.000 1.074 118 L CA 0.986 55.765 54.840 -0.101 0.000 0.745 118 L CB -0.530 41.457 42.059 -0.120 0.000 0.898 118 L HN 0.072 nan 8.230 nan 0.000 0.433 119 R N 0.343 120.792 120.500 -0.085 0.000 2.083 119 R HA -0.202 4.138 4.340 0.000 0.000 0.237 119 R C 1.852 178.121 176.300 -0.052 0.000 1.137 119 R CA 2.091 58.157 56.100 -0.057 0.000 0.951 119 R CB -0.256 29.999 30.300 -0.076 0.000 0.851 119 R HN 0.348 nan 8.270 nan 0.000 0.434 120 D N 0.432 120.790 120.400 -0.070 0.000 2.144 120 D HA -0.128 4.512 4.640 0.000 0.000 0.199 120 D C 1.401 177.675 176.300 -0.042 0.000 0.984 120 D CA 1.331 55.298 54.000 -0.054 0.000 0.834 120 D CB -0.012 40.750 40.800 -0.063 0.000 0.955 120 D HN 0.269 nan 8.370 nan 0.000 0.465 121 K N 0.251 120.623 120.400 -0.047 0.000 2.487 121 K HA 0.063 4.383 4.320 0.000 0.000 0.192 121 K C 0.168 176.749 176.600 -0.032 0.000 1.027 121 K CA 0.042 56.306 56.287 -0.039 0.000 1.054 121 K CB 0.353 32.827 32.500 -0.043 0.000 0.824 121 K HN 0.013 nan 8.250 nan 0.000 0.510 122 K N -0.093 120.292 120.400 -0.026 0.000 3.230 122 K HA -0.127 4.193 4.320 0.000 0.000 0.285 122 K C -0.827 175.769 176.600 -0.006 0.000 1.196 122 K CA 0.208 56.487 56.287 -0.013 0.000 0.838 122 K CB -1.969 30.523 32.500 -0.014 0.000 1.262 122 K HN -0.049 nan 8.250 nan 0.000 0.492 123 V N 1.821 121.729 119.914 -0.010 0.000 2.427 123 V HA 0.041 4.161 4.120 0.000 0.000 0.268 123 V C 0.844 176.954 176.094 0.027 0.000 1.046 123 V CA -0.161 62.138 62.300 -0.002 0.000 0.970 123 V CB 1.249 33.065 31.823 -0.010 0.000 1.001 123 V HN 0.183 nan 8.190 nan 0.000 0.476 124 E N 4.756 124.972 120.200 0.026 0.000 2.081 124 E HA 0.041 4.391 4.350 0.000 0.000 0.270 124 E C -0.863 175.761 176.600 0.041 0.000 1.180 124 E CA -0.466 55.955 56.400 0.035 0.000 0.926 124 E CB 0.239 29.965 29.700 0.044 0.000 1.035 124 E HN 0.632 nan 8.360 nan 0.000 0.418 125 Y N 6.733 127.007 120.300 -0.044 0.000 2.393 125 Y HA 0.233 4.783 4.550 0.000 0.000 0.338 125 Y C -0.856 175.030 175.900 -0.023 0.000 1.029 125 Y CA -0.932 57.145 58.100 -0.038 0.000 1.239 125 Y CB 0.429 38.868 38.460 -0.034 0.000 1.170 125 Y HN 0.322 nan 8.280 nan 0.000 0.515 126 I N 7.017 127.329 120.570 -0.430 0.000 2.355 126 I HA 0.137 4.308 4.170 0.000 0.000 0.288 126 I C 0.164 175.906 176.117 -0.624 0.000 0.999 126 I CA -0.490 60.533 61.300 -0.462 0.000 1.163 126 I CB 1.223 39.098 38.000 -0.209 0.000 1.316 126 I HN 0.745 nan 8.210 nan 0.000 0.454 127 N N 5.150 123.453 118.700 -0.662 0.000 3.050 127 N HA 0.325 5.066 4.740 0.000 0.000 0.289 127 N C -0.042 175.466 175.510 -0.004 0.000 1.209 127 N CA -0.075 52.802 53.050 -0.288 0.000 1.154 127 N CB 0.257 38.649 38.487 -0.158 0.000 1.444 127 N HN 0.923 nan 8.380 nan 0.000 0.529 128 G N 1.070 109.877 108.800 0.012 0.000 2.692 128 G HA2 0.382 4.342 3.960 0.000 0.000 0.291 128 G HA3 0.382 4.342 3.960 0.000 0.000 0.291 128 G C -1.745 173.127 174.900 -0.047 0.000 1.423 128 G CA -0.693 44.378 45.100 -0.048 0.000 0.843 128 G HN 0.292 nan 8.290 nan 0.000 0.486 129 L N 1.492 122.583 121.223 -0.221 0.000 2.265 129 L HA 0.705 5.045 4.340 0.000 0.000 0.288 129 L C 0.779 177.575 176.870 -0.123 0.000 1.058 129 L CA -0.115 54.626 54.840 -0.165 0.000 0.809 129 L CB 0.912 42.775 42.059 -0.328 0.000 1.179 129 L HN 0.655 nan 8.230 nan 0.000 0.429 130 G N 2.942 111.693 108.800 -0.081 0.000 2.348 130 G HA2 0.560 4.520 3.960 0.000 0.000 0.312 130 G HA3 0.560 4.520 3.960 0.000 0.000 0.312 130 G C -1.030 173.783 174.900 -0.145 0.000 1.126 130 G CA -0.074 44.953 45.100 -0.122 0.000 0.865 130 G HN 0.760 nan 8.290 nan 0.000 0.474 131 S N 0.875 116.469 115.700 -0.178 0.000 2.548 131 S HA 0.615 5.085 4.470 0.000 0.000 0.276 131 S C -0.789 173.697 174.600 -0.190 0.000 1.129 131 S CA -0.858 57.256 58.200 -0.144 0.000 0.931 131 S CB 1.231 64.398 63.200 -0.055 0.000 1.068 131 S HN 0.330 nan 8.310 nan 0.000 0.480 132 F N 1.838 121.719 119.950 -0.115 0.000 2.529 132 F HA 0.258 4.785 4.527 0.000 0.000 0.365 132 F C 1.448 177.189 175.800 -0.098 0.000 1.102 132 F CA 0.041 57.944 58.000 -0.162 0.000 1.271 132 F CB 0.945 39.816 39.000 -0.214 0.000 1.120 132 F HN 0.482 nan 8.300 nan 0.000 0.579 133 V N 0.298 120.280 119.914 0.114 0.000 3.621 133 V HA 0.133 4.254 4.120 0.000 0.000 0.263 133 V C -0.110 176.034 176.094 0.083 0.000 1.272 133 V CA 0.622 62.969 62.300 0.077 0.000 1.080 133 V CB -0.129 31.727 31.823 0.056 0.000 0.816 133 V HN 0.836 nan 8.190 nan 0.000 0.451 134 D N -1.846 118.624 120.400 0.117 0.000 2.766 134 D HA 0.064 4.705 4.640 0.000 0.000 0.244 134 D C 0.370 176.713 176.300 0.071 0.000 1.198 134 D CA 0.038 54.088 54.000 0.084 0.000 0.739 134 D CB 1.517 42.389 40.800 0.121 0.000 1.379 134 D HN -0.185 nan 8.370 nan 0.000 0.437 135 S N 0.334 116.012 115.700 -0.036 0.000 2.469 135 S HA -0.118 4.352 4.470 0.000 0.000 0.238 135 S C 0.920 175.464 174.600 -0.093 0.000 0.998 135 S CA 1.119 59.210 58.200 -0.181 0.000 0.957 135 S CB -0.258 62.800 63.200 -0.237 0.000 0.764 135 S HN 0.454 nan 8.310 nan 0.000 0.514 136 H N -0.494 118.757 119.070 0.301 0.000 3.058 136 H HA 0.245 4.801 4.556 0.000 0.000 0.266 136 H C -0.477 175.176 175.328 0.541 0.000 1.135 136 H CA 0.034 56.391 56.048 0.515 0.000 1.174 136 H CB 0.915 30.851 29.762 0.290 0.000 1.581 136 H HN 0.130 nan 8.280 nan 0.000 0.553 137 T N 1.218 116.033 114.554 0.434 0.000 2.879 137 T HA 0.431 4.781 4.350 0.000 0.000 0.290 137 T C -0.952 173.837 174.700 0.147 0.000 0.993 137 T CA -0.676 61.609 62.100 0.310 0.000 0.975 137 T CB 2.162 71.151 68.868 0.202 0.000 0.981 137 T HN 0.084 nan 8.240 nan 0.000 0.439 138 L N 3.484 124.784 121.223 0.128 0.000 2.365 138 L HA 0.795 5.136 4.340 0.000 0.000 0.273 138 L C -1.265 175.589 176.870 -0.028 0.000 1.000 138 L CA -1.259 53.524 54.840 -0.095 0.000 0.819 138 L CB 1.552 43.510 42.059 -0.169 0.000 1.284 138 L HN 0.623 nan 8.230 nan 0.000 0.418 139 L N 5.292 126.472 121.223 -0.072 0.000 2.261 139 L HA 0.688 5.028 4.340 0.000 0.000 0.289 139 L C -0.089 176.735 176.870 -0.077 0.000 1.059 139 L CA 0.098 54.908 54.840 -0.049 0.000 0.816 139 L CB 0.829 42.862 42.059 -0.043 0.000 1.191 139 L HN 0.741 nan 8.230 nan 0.000 0.431 140 A N 5.611 128.397 122.820 -0.058 0.000 2.301 140 A HA 0.431 4.751 4.320 0.000 0.000 0.298 140 A C -0.183 177.348 177.584 -0.087 0.000 1.185 140 A CA -0.590 51.401 52.037 -0.076 0.000 0.830 140 A CB 0.259 19.223 19.000 -0.060 0.000 1.112 140 A HN 0.706 nan 8.150 nan 0.000 0.508 141 K N 4.380 124.704 120.400 -0.126 0.000 2.389 141 K HA 0.461 4.782 4.320 0.000 0.000 0.261 141 K C -0.936 175.553 176.600 -0.185 0.000 1.014 141 K CA -0.345 55.852 56.287 -0.151 0.000 0.920 141 K CB 0.535 32.927 32.500 -0.180 0.000 1.149 141 K HN 0.806 nan 8.250 nan 0.000 0.444 142 L N 3.537 124.685 121.223 -0.126 0.000 2.479 142 L HA 0.207 4.547 4.340 0.000 0.000 0.249 142 L C 1.309 178.123 176.870 -0.092 0.000 1.178 142 L CA -0.038 54.742 54.840 -0.100 0.000 0.811 142 L CB 0.783 42.803 42.059 -0.065 0.000 1.187 142 L HN 0.697 nan 8.230 nan 0.000 0.480 143 K N -0.332 120.050 120.400 -0.029 0.000 2.103 143 K HA -0.103 4.217 4.320 0.000 0.000 0.207 143 K C 1.418 178.012 176.600 -0.010 0.000 1.048 143 K CA 1.598 57.891 56.287 0.010 0.000 0.930 143 K CB -0.170 32.365 32.500 0.058 0.000 0.716 143 K HN 0.520 nan 8.250 nan 0.000 0.444 144 S N 0.317 116.007 115.700 -0.017 0.000 2.720 144 S HA 0.116 4.586 4.470 0.000 0.000 0.222 144 S C 1.258 175.843 174.600 -0.025 0.000 0.958 144 S CA 0.355 58.546 58.200 -0.015 0.000 0.943 144 S CB 0.090 63.283 63.200 -0.012 0.000 0.779 144 S HN 0.576 nan 8.310 nan 0.000 0.526 145 G N 1.452 110.227 108.800 -0.042 0.000 2.186 145 G HA2 -0.310 3.650 3.960 0.000 0.000 0.266 145 G HA3 -0.310 3.650 3.960 0.000 0.000 0.266 145 G C -0.106 174.766 174.900 -0.048 0.000 0.982 145 G CA 0.338 45.407 45.100 -0.051 0.000 0.670 145 G HN 0.566 nan 8.290 nan 0.000 0.533 146 E N 0.081 120.255 120.200 -0.043 0.000 2.374 146 E HA 0.538 4.889 4.350 0.000 0.000 0.260 146 E C 0.936 177.509 176.600 -0.044 0.000 1.101 146 E CA -0.210 56.168 56.400 -0.036 0.000 0.907 146 E CB 0.414 30.097 29.700 -0.027 0.000 1.014 146 E HN 0.669 nan 8.360 nan 0.000 0.427 147 R N 0.385 120.866 120.500 -0.032 0.000 2.867 147 R HA 0.704 5.045 4.340 0.000 0.000 0.268 147 R C -0.788 175.504 176.300 -0.013 0.000 1.014 147 R CA -0.906 55.175 56.100 -0.031 0.000 0.946 147 R CB 1.855 32.137 30.300 -0.030 0.000 1.208 147 R HN 0.317 nan 8.270 nan 0.000 0.477 148 T N 0.718 115.269 114.554 -0.005 0.000 2.821 148 T HA 0.575 4.925 4.350 0.000 0.000 0.306 148 T C -0.944 173.780 174.700 0.039 0.000 1.313 148 T CA -0.696 61.417 62.100 0.023 0.000 1.012 148 T CB 1.480 70.369 68.868 0.034 0.000 1.298 148 T HN 0.483 nan 8.240 nan 0.000 0.502 149 I N 0.153 120.768 120.570 0.074 0.000 3.239 149 I HA 0.681 4.851 4.170 0.000 0.000 0.314 149 I C -0.569 175.647 176.117 0.164 0.000 1.126 149 I CA -0.901 60.459 61.300 0.099 0.000 0.973 149 I CB 1.282 39.329 38.000 0.079 0.000 1.252 149 I HN 0.877 nan 8.210 nan 0.000 0.463 150 T N 0.510 115.191 114.554 0.212 0.000 0.544 150 T HA 0.307 4.657 4.350 0.000 0.000 0.774 150 T C -0.543 174.320 174.700 0.272 0.000 0.992 150 T CA 0.065 62.313 62.100 0.247 0.000 4.075 150 T CB -1.140 67.819 68.868 0.153 0.000 2.302 150 T HN 1.868 nan 8.240 nan 0.000 0.398 151 A N 1.797 124.770 122.820 0.255 0.000 2.566 151 A HA 0.795 5.115 4.320 0.000 0.000 0.290 151 A C 0.509 178.144 177.584 0.086 0.000 1.071 151 A CA -0.210 51.868 52.037 0.067 0.000 0.658 151 A CB 1.179 20.049 19.000 -0.216 0.000 1.285 151 A HN 0.648 nan 8.150 nan 0.000 0.427 152 Q N -0.176 119.651 119.800 0.044 0.000 2.134 152 Q HA 0.090 4.431 4.340 0.000 0.000 0.195 152 Q C 0.797 176.939 176.000 0.237 0.000 0.958 152 Q CA 2.054 57.958 55.803 0.169 0.000 0.840 152 Q CB 0.264 29.067 28.738 0.108 0.000 0.918 152 Q HN 1.008 nan 8.270 nan 0.000 0.467 153 T N -1.648 112.928 114.554 0.038 0.000 2.916 153 T HA 0.600 4.950 4.350 0.000 0.000 0.292 153 T C -1.312 173.293 174.700 -0.159 0.000 1.055 153 T CA -0.665 61.494 62.100 0.098 0.000 1.009 153 T CB 1.061 70.050 68.868 0.201 0.000 1.118 153 T HN -0.050 nan 8.240 nan 0.000 0.497 154 F N 1.274 121.399 119.950 0.291 0.000 2.556 154 F HA 0.673 5.200 4.527 0.000 0.000 0.314 154 F C -0.476 175.507 175.800 0.305 0.000 1.106 154 F CA -0.827 57.344 58.000 0.284 0.000 0.911 154 F CB 2.592 41.823 39.000 0.386 0.000 1.190 154 F HN 0.402 nan 8.300 nan 0.000 0.448 155 V N 5.006 125.161 119.914 0.403 0.000 2.444 155 V HA 0.429 4.549 4.120 0.000 0.000 0.294 155 V C -0.195 176.073 176.094 0.290 0.000 1.022 155 V CA -0.714 61.776 62.300 0.316 0.000 0.850 155 V CB 1.695 33.630 31.823 0.187 0.000 0.992 155 V HN 0.515 nan 8.190 nan 0.000 0.426 156 I N 4.303 125.042 120.570 0.282 0.000 2.304 156 I HA 0.638 4.808 4.170 0.000 0.000 0.291 156 I C 0.547 176.772 176.117 0.180 0.000 1.018 156 I CA -0.070 61.369 61.300 0.231 0.000 1.260 156 I CB 1.443 39.584 38.000 0.236 0.000 1.390 156 I HN 0.685 nan 8.210 nan 0.000 0.475 157 A N 5.852 128.764 122.820 0.154 0.000 3.365 157 A HA 0.408 4.728 4.320 0.000 0.000 0.258 157 A C 0.630 178.290 177.584 0.126 0.000 0.964 157 A CA -0.345 51.772 52.037 0.133 0.000 0.988 157 A CB 0.076 19.148 19.000 0.121 0.000 1.193 157 A HN 0.625 nan 8.150 nan 0.000 0.508 158 V N -2.556 117.435 119.914 0.127 0.000 3.506 158 V HA 0.508 4.628 4.120 0.000 0.000 0.263 158 V C 1.350 177.520 176.094 0.127 0.000 1.203 158 V CA 0.731 63.106 62.300 0.125 0.000 1.133 158 V CB -1.292 30.603 31.823 0.120 0.000 0.802 158 V HN 1.865 nan 8.190 nan 0.000 0.459 159 G N 0.306 109.179 108.800 0.122 0.000 2.575 159 G HA2 0.159 4.119 3.960 0.000 0.000 0.267 159 G HA3 0.159 4.119 3.960 0.000 0.000 0.267 159 G C 0.267 175.238 174.900 0.118 0.000 1.264 159 G CA 0.119 45.291 45.100 0.121 0.000 0.935 159 G HN 1.643 nan 8.290 nan 0.000 0.568 160 G N -1.655 107.220 108.800 0.124 0.000 2.949 160 G HA2 0.786 4.746 3.960 0.000 0.000 0.285 160 G HA3 0.786 4.746 3.960 0.000 0.000 0.285 160 G C -1.054 173.931 174.900 0.141 0.000 1.395 160 G CA -0.435 44.737 45.100 0.120 0.000 0.901 160 G HN 0.703 nan 8.290 nan 0.000 0.519 161 R N -0.646 119.934 120.500 0.134 0.000 2.808 161 R HA 0.484 4.824 4.340 0.000 0.000 0.272 161 R C -2.842 173.529 176.300 0.119 0.000 0.995 161 R CA -1.993 54.200 56.100 0.156 0.000 0.917 161 R CB 1.495 31.902 30.300 0.179 0.000 1.217 161 R HN 0.267 nan 8.270 nan 0.000 0.471 162 P HA 0.044 nan 4.420 nan 0.000 0.264 162 P C -0.232 177.067 177.300 -0.002 0.000 1.183 162 P CA 0.306 63.418 63.100 0.020 0.000 0.763 162 P CB 0.499 32.184 31.700 -0.025 0.000 0.807 163 R N 2.241 122.718 120.500 -0.038 0.000 2.560 163 R HA 0.393 4.733 4.340 0.000 0.000 0.270 163 R C -0.401 175.804 176.300 -0.158 0.000 1.074 163 R CA -0.163 55.924 56.100 -0.021 0.000 1.140 163 R CB 0.434 30.726 30.300 -0.014 0.000 1.073 163 R HN 0.474 nan 8.270 nan 0.000 0.527 164 Y N 1.230 121.470 120.300 -0.101 0.000 2.446 164 Y HA 0.308 4.858 4.550 0.000 0.000 0.345 164 Y C -1.666 174.030 175.900 -0.339 0.000 0.984 164 Y CA -2.315 55.625 58.100 -0.266 0.000 1.058 164 Y CB 1.531 39.869 38.460 -0.203 0.000 1.220 164 Y HN 0.471 nan 8.280 nan 0.000 0.455 165 P HA -0.002 nan 4.420 nan 0.000 0.271 165 P C -0.715 176.440 177.300 -0.242 0.000 1.216 165 P CA -0.185 62.695 63.100 -0.366 0.000 0.776 165 P CB 0.990 32.322 31.700 -0.613 0.000 0.881 166 D N 2.527 122.841 120.400 -0.144 0.000 2.551 166 D HA 0.319 4.959 4.640 0.000 0.000 0.223 166 D C -0.643 175.605 176.300 -0.087 0.000 1.144 166 D CA 0.119 54.062 54.000 -0.095 0.000 1.025 166 D CB -1.142 39.623 40.800 -0.059 0.000 1.085 166 D HN 0.230 nan 8.370 nan 0.000 0.506 167 I N 2.787 123.296 120.570 -0.102 0.000 2.722 167 I HA 0.240 4.410 4.170 0.000 0.000 0.292 167 I C -2.210 173.895 176.117 -0.021 0.000 1.267 167 I CA -2.274 58.989 61.300 -0.062 0.000 1.036 167 I CB 2.667 40.611 38.000 -0.094 0.000 1.281 167 I HN 0.071 nan 8.210 nan 0.000 0.423 168 P HA 0.105 nan 4.420 nan 0.000 0.262 168 P C 0.710 178.089 177.300 0.131 0.000 1.182 168 P CA 0.777 63.912 63.100 0.058 0.000 0.761 168 P CB 0.563 32.303 31.700 0.068 0.000 0.795 169 G N 2.328 111.202 108.800 0.124 0.000 2.199 169 G HA2 -0.322 3.638 3.960 0.000 0.000 0.254 169 G HA3 -0.322 3.638 3.960 0.000 0.000 0.254 169 G C 1.070 176.109 174.900 0.232 0.000 0.982 169 G CA 0.636 45.874 45.100 0.230 0.000 0.632 169 G HN 0.726 nan 8.290 nan 0.000 0.529 170 A N 0.289 123.214 122.820 0.175 0.000 1.845 170 A HA 0.206 4.526 4.320 0.000 0.000 0.215 170 A C 2.789 180.594 177.584 0.369 0.000 1.195 170 A CA 3.569 55.779 52.037 0.288 0.000 0.616 170 A CB -0.944 17.952 19.000 -0.172 0.000 0.832 170 A HN 1.704 nan 8.150 nan 0.000 0.443 171 V N -2.063 117.820 119.914 -0.052 0.000 3.141 171 V HA -0.067 4.054 4.120 0.000 0.000 0.265 171 V C 1.802 177.800 176.094 -0.160 0.000 1.126 171 V CA 2.353 64.446 62.300 -0.346 0.000 1.141 171 V CB -0.487 30.961 31.823 -0.626 0.000 0.743 171 V HN 0.661 nan 8.190 nan 0.000 0.492 172 E N -0.777 119.299 120.200 -0.207 0.000 2.102 172 E HA -0.038 4.312 4.350 0.000 0.000 0.190 172 E C 1.753 178.125 176.600 -0.380 0.000 0.971 172 E CA 1.053 57.188 56.400 -0.442 0.000 0.821 172 E CB 0.068 29.245 29.700 -0.872 0.000 0.777 172 E HN 0.758 nan 8.360 nan 0.000 0.460 173 Y N -0.915 119.477 120.300 0.153 0.000 2.483 173 Y HA 0.351 4.901 4.550 0.000 0.000 0.258 173 Y C 1.050 177.007 175.900 0.094 0.000 1.083 173 Y CA 0.102 58.270 58.100 0.113 0.000 1.283 173 Y CB 0.236 38.755 38.460 0.098 0.000 1.178 173 Y HN -0.048 nan 8.280 nan 0.000 0.515 174 G N 1.169 110.166 108.800 0.329 0.000 2.476 174 G HA2 0.557 4.517 3.960 0.000 0.000 0.286 174 G HA3 0.557 4.517 3.960 0.000 0.000 0.286 174 G C -0.364 174.629 174.900 0.154 0.000 1.177 174 G CA -0.440 44.708 45.100 0.080 0.000 0.870 174 G HN 0.207 nan 8.290 nan 0.000 0.528 175 I N -1.820 118.693 120.570 -0.095 0.000 3.170 175 I HA 0.923 5.093 4.170 0.000 0.000 0.312 175 I C 0.136 176.210 176.117 -0.071 0.000 1.085 175 I CA -0.999 60.309 61.300 0.013 0.000 0.999 175 I CB 2.505 40.486 38.000 -0.031 0.000 1.233 175 I HN 0.640 nan 8.210 nan 0.000 0.467 176 T N -1.829 112.707 114.554 -0.030 0.000 2.864 176 T HA 0.331 4.681 4.350 0.000 0.000 0.289 176 T C 0.909 175.550 174.700 -0.098 0.000 1.082 176 T CA -0.040 62.007 62.100 -0.089 0.000 1.009 176 T CB 1.246 70.051 68.868 -0.105 0.000 1.234 176 T HN 0.884 nan 8.240 nan 0.000 0.526 177 S N 0.568 116.194 115.700 -0.124 0.000 2.392 177 S HA -0.244 4.226 4.470 0.000 0.000 0.232 177 S C 1.336 175.858 174.600 -0.129 0.000 1.041 177 S CA 1.914 59.996 58.200 -0.196 0.000 1.026 177 S CB -1.123 62.043 63.200 -0.057 0.000 0.845 177 S HN 0.774 nan 8.310 nan 0.000 0.465 178 D N 2.030 122.438 120.400 0.014 0.000 2.133 178 D HA -0.111 4.529 4.640 0.000 0.000 0.192 178 D C 1.720 178.095 176.300 0.124 0.000 1.001 178 D CA 1.634 55.685 54.000 0.084 0.000 0.844 178 D CB -0.486 40.502 40.800 0.315 0.000 0.944 178 D HN 0.499 nan 8.370 nan 0.000 0.447 179 D N -0.079 120.384 120.400 0.106 0.000 2.137 179 D HA -0.062 4.578 4.640 0.000 0.000 0.202 179 D C 2.269 178.607 176.300 0.063 0.000 0.970 179 D CA -0.030 54.040 54.000 0.118 0.000 0.837 179 D CB -0.176 40.689 40.800 0.107 0.000 0.981 179 D HN 0.141 nan 8.370 nan 0.000 0.475 180 L N 0.433 121.609 121.223 -0.078 0.000 2.081 180 L HA -0.206 4.134 4.340 0.000 0.000 0.212 180 L C 1.826 178.709 176.870 0.021 0.000 1.080 180 L CA 1.467 56.238 54.840 -0.115 0.000 0.754 180 L CB -0.351 41.482 42.059 -0.377 0.000 0.893 180 L HN -0.048 nan 8.230 nan 0.000 0.433 181 F N -0.470 119.557 119.950 0.128 0.000 2.748 181 F HA -0.035 4.492 4.527 0.000 0.000 0.299 181 F C 2.194 177.981 175.800 -0.021 0.000 1.154 181 F CA 0.758 58.778 58.000 0.033 0.000 1.446 181 F CB -0.340 38.628 39.000 -0.054 0.000 1.112 181 F HN 0.220 nan 8.300 nan 0.000 0.584 182 S N -1.345 114.469 115.700 0.190 0.000 2.846 182 S HA 0.241 4.711 4.470 0.000 0.000 0.249 182 S C 0.086 174.791 174.600 0.174 0.000 1.028 182 S CA -0.434 57.842 58.200 0.126 0.000 1.043 182 S CB -0.621 62.660 63.200 0.135 0.000 0.990 182 S HN 0.077 nan 8.310 nan 0.000 0.564 183 L N 2.399 123.793 121.223 0.286 0.000 2.628 183 L HA 0.019 4.359 4.340 0.000 0.000 0.274 183 L C 1.086 178.207 176.870 0.419 0.000 1.209 183 L CA 0.494 55.553 54.840 0.364 0.000 0.930 183 L CB 0.398 42.728 42.059 0.452 0.000 1.183 183 L HN 0.306 nan 8.230 nan 0.000 0.492 184 D N 2.271 122.836 120.400 0.276 0.000 2.084 184 D HA -0.113 4.527 4.640 0.000 0.000 0.196 184 D C 0.822 177.325 176.300 0.338 0.000 0.985 184 D CA 1.151 55.307 54.000 0.260 0.000 0.826 184 D CB 0.207 41.096 40.800 0.148 0.000 0.978 184 D HN 0.548 nan 8.370 nan 0.000 0.456 185 R N 0.961 121.598 120.500 0.229 0.000 2.594 185 R HA 0.201 4.541 4.340 0.000 0.000 0.272 185 R C -0.016 176.317 176.300 0.057 0.000 1.074 185 R CA -0.341 55.852 56.100 0.154 0.000 1.105 185 R CB 0.535 30.863 30.300 0.046 0.000 1.008 185 R HN -0.052 nan 8.270 nan 0.000 0.472 186 E N 3.084 123.259 120.200 -0.041 0.000 2.376 186 E HA 0.018 4.369 4.350 0.000 0.000 0.266 186 E C -1.625 174.533 176.600 -0.738 0.000 1.009 186 E CA -1.931 54.175 56.400 -0.489 0.000 0.902 186 E CB 0.935 30.511 29.700 -0.206 0.000 0.972 186 E HN 0.510 nan 8.360 nan 0.000 0.439 187 P HA -0.152 nan 4.420 nan 0.000 0.215 187 P C 0.564 177.417 177.300 -0.744 0.000 1.157 187 P CA 1.550 64.026 63.100 -1.040 0.000 0.874 187 P CB -0.030 30.843 31.700 -1.378 0.000 0.790 188 G N -0.743 107.508 108.800 -0.914 0.000 2.528 188 G HA2 -0.318 3.643 3.960 0.000 0.000 0.262 188 G HA3 -0.318 3.643 3.960 0.000 0.000 0.262 188 G C -0.285 174.523 174.900 -0.153 0.000 1.200 188 G CA -0.033 44.881 45.100 -0.310 0.000 0.951 188 G HN 0.510 nan 8.290 nan 0.000 0.566 189 K N 1.284 121.649 120.400 -0.059 0.000 2.349 189 K HA 0.484 4.804 4.320 0.000 0.000 0.289 189 K C 0.013 176.626 176.600 0.023 0.000 1.064 189 K CA 0.693 56.979 56.287 -0.000 0.000 0.947 189 K CB 0.170 32.665 32.500 -0.008 0.000 1.007 189 K HN 0.846 nan 8.250 nan 0.000 0.478 190 T N 3.820 118.373 114.554 -0.002 0.000 2.861 190 T HA 0.341 4.691 4.350 0.000 0.000 0.287 190 T C -1.233 173.348 174.700 -0.198 0.000 1.003 190 T CA -1.009 61.021 62.100 -0.117 0.000 0.977 190 T CB 1.017 69.738 68.868 -0.245 0.000 0.996 190 T HN 0.452 nan 8.240 nan 0.000 0.448 191 L N 5.933 126.860 121.223 -0.493 0.000 2.264 191 L HA 0.670 5.010 4.340 0.000 0.000 0.289 191 L C -0.875 175.676 176.870 -0.532 0.000 1.044 191 L CA -0.310 54.098 54.840 -0.719 0.000 0.807 191 L CB 1.050 42.294 42.059 -1.359 0.000 1.192 191 L HN 0.564 nan 8.230 nan 0.000 0.425 192 V N 6.461 126.125 119.914 -0.416 0.000 2.318 192 V HA 0.305 4.425 4.120 0.000 0.000 0.271 192 V C -0.066 175.859 176.094 -0.283 0.000 1.030 192 V CA -0.688 61.404 62.300 -0.347 0.000 0.844 192 V CB 1.166 32.800 31.823 -0.316 0.000 1.015 192 V HN 0.505 nan 8.190 nan 0.000 0.460 193 V N 4.487 124.272 119.914 -0.215 0.000 2.368 193 V HA 0.845 4.965 4.120 0.000 0.000 0.266 193 V C 0.733 176.812 176.094 -0.025 0.000 1.045 193 V CA 0.381 62.640 62.300 -0.068 0.000 0.899 193 V CB 0.582 32.492 31.823 0.145 0.000 1.006 193 V HN 1.188 nan 8.190 nan 0.000 0.470 194 G N 3.995 112.766 108.800 -0.048 0.000 3.088 194 G HA2 0.370 4.330 3.960 0.000 0.000 0.620 194 G HA3 0.370 4.330 3.960 0.000 0.000 0.620 194 G C -0.276 174.592 174.900 -0.054 0.000 1.375 194 G CA -0.242 44.837 45.100 -0.034 0.000 1.016 194 G HN 1.224 nan 8.290 nan 0.000 0.590 195 A N 1.324 124.139 122.820 -0.009 0.000 2.630 195 A HA 0.771 5.091 4.320 0.000 0.000 0.290 195 A C 1.404 179.014 177.584 0.043 0.000 1.267 195 A CA 1.104 53.153 52.037 0.020 0.000 0.950 195 A CB -0.109 18.938 19.000 0.079 0.000 1.144 195 A HN 2.056 nan 8.150 nan 0.000 0.527 196 G N -1.144 107.674 108.800 0.029 0.000 2.611 196 G HA2 0.273 4.233 3.960 0.000 0.000 0.273 196 G HA3 0.273 4.233 3.960 0.000 0.000 0.273 196 G C 0.727 175.650 174.900 0.039 0.000 1.305 196 G CA 0.183 45.324 45.100 0.068 0.000 1.010 196 G HN 0.669 nan 8.290 nan 0.000 0.509 197 Y N -1.187 119.131 120.300 0.030 0.000 2.224 197 Y HA -0.038 4.512 4.550 0.000 0.000 0.289 197 Y C 2.368 178.295 175.900 0.044 0.000 1.146 197 Y CA 1.336 59.439 58.100 0.005 0.000 1.182 197 Y CB -0.488 37.980 38.460 0.014 0.000 0.983 197 Y HN 0.211 nan 8.280 nan 0.000 0.524 198 I N 1.316 121.550 120.570 -0.559 0.000 2.226 198 I HA -0.214 3.956 4.170 0.000 0.000 0.245 198 I C 2.758 178.782 176.117 -0.154 0.000 1.100 198 I CA 1.668 62.767 61.300 -0.336 0.000 1.374 198 I CB -0.832 36.945 38.000 -0.372 0.000 1.057 198 I HN 0.499 nan 8.210 nan 0.000 0.413 199 G N 0.486 109.193 108.800 -0.154 0.000 2.394 199 G HA2 -0.147 3.813 3.960 0.000 0.000 0.215 199 G HA3 -0.147 3.813 3.960 0.000 0.000 0.215 199 G C 1.545 176.352 174.900 -0.154 0.000 1.165 199 G CA 0.238 45.244 45.100 -0.156 0.000 0.784 199 G HN 0.119 nan 8.290 nan 0.000 0.535 200 L N 0.816 121.991 121.223 -0.080 0.000 2.046 200 L HA 0.018 4.358 4.340 0.000 0.000 0.208 200 L C 2.755 179.601 176.870 -0.039 0.000 1.077 200 L CA 1.571 56.388 54.840 -0.038 0.000 0.747 200 L CB -0.788 41.292 42.059 0.036 0.000 0.896 200 L HN 0.327 nan 8.230 nan 0.000 0.432 201 E N -1.646 118.560 120.200 0.010 0.000 2.072 201 E HA -0.214 4.136 4.350 0.000 0.000 0.191 201 E C 2.304 178.771 176.600 -0.222 0.000 0.985 201 E CA 1.565 58.006 56.400 0.068 0.000 0.801 201 E CB -0.244 29.612 29.700 0.261 0.000 0.750 201 E HN 0.503 nan 8.360 nan 0.000 0.452 202 C N 0.877 119.933 119.300 -0.408 0.000 2.432 202 C HA -0.093 4.367 4.460 0.000 0.000 0.277 202 C C 2.952 177.431 174.990 -0.851 0.000 1.249 202 C CA 0.791 59.217 59.018 -0.987 0.000 1.725 202 C CB -1.031 26.410 27.740 -0.498 0.000 2.028 202 C HN 0.526 nan 8.230 nan 0.000 0.477 203 A N 1.031 123.585 122.820 -0.443 0.000 1.917 203 A HA -0.027 4.293 4.320 0.000 0.000 0.219 203 A C 2.386 179.839 177.584 -0.218 0.000 1.182 203 A CA 2.352 54.205 52.037 -0.307 0.000 0.633 203 A CB -1.386 17.450 19.000 -0.274 0.000 0.819 203 A HN 0.575 nan 8.150 nan 0.000 0.448 204 G N -0.037 108.665 108.800 -0.163 0.000 2.459 204 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 204 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 204 G C 1.356 176.320 174.900 0.107 0.000 1.183 204 G CA 1.414 46.522 45.100 0.014 0.000 0.776 204 G HN 0.869 nan 8.290 nan 0.000 0.552 205 F N 0.453 120.513 119.950 0.184 0.000 2.558 205 F HA 0.348 4.875 4.527 0.000 0.000 0.298 205 F C 2.056 177.969 175.800 0.189 0.000 1.119 205 F CA 0.040 58.163 58.000 0.206 0.000 1.451 205 F CB -0.514 38.643 39.000 0.261 0.000 1.091 205 F HN 0.057 nan 8.300 nan 0.000 0.563 206 L N 0.104 121.383 121.223 0.093 0.000 2.093 206 L HA -0.098 4.242 4.340 0.000 0.000 0.208 206 L C 2.727 179.700 176.870 0.171 0.000 1.085 206 L CA 1.095 56.051 54.840 0.194 0.000 0.755 206 L CB -0.638 41.411 42.059 -0.016 0.000 0.904 206 L HN 0.057 nan 8.230 nan 0.000 0.435 207 K N 0.585 121.034 120.400 0.081 0.000 2.062 207 K HA -0.063 4.257 4.320 0.000 0.000 0.205 207 K C 1.956 178.595 176.600 0.065 0.000 1.051 207 K CA 1.369 57.690 56.287 0.056 0.000 0.941 207 K CB -0.520 32.002 32.500 0.036 0.000 0.719 207 K HN 0.313 nan 8.250 nan 0.000 0.440 208 G N 0.358 109.231 108.800 0.122 0.000 2.509 208 G HA2 -0.118 3.842 3.960 0.000 0.000 0.218 208 G HA3 -0.118 3.842 3.960 0.000 0.000 0.218 208 G C 1.238 176.193 174.900 0.092 0.000 1.124 208 G CA 0.253 45.425 45.100 0.121 0.000 0.776 208 G HN 0.270 nan 8.290 nan 0.000 0.547 209 L N -0.193 121.084 121.223 0.089 0.000 2.769 209 L HA 0.370 4.710 4.340 0.000 0.000 0.240 209 L C 1.675 178.359 176.870 -0.309 0.000 1.163 209 L CA 0.339 55.184 54.840 0.008 0.000 0.962 209 L CB 0.477 42.665 42.059 0.215 0.000 1.258 209 L HN 0.278 nan 8.230 nan 0.000 0.513 210 G N -1.137 107.497 108.800 -0.276 0.000 2.159 210 G HA2 -0.281 3.680 3.960 0.000 0.000 0.227 210 G HA3 -0.281 3.680 3.960 0.000 0.000 0.227 210 G C -0.012 174.618 174.900 -0.449 0.000 0.986 210 G CA -0.384 44.497 45.100 -0.366 0.000 0.651 210 G HN 0.282 nan 8.290 nan 0.000 0.523 211 Y N 0.016 120.307 120.300 -0.015 0.000 2.496 211 Y HA 0.690 5.240 4.550 0.000 0.000 0.325 211 Y C 0.630 176.499 175.900 -0.050 0.000 1.271 211 Y CA -0.962 57.103 58.100 -0.058 0.000 1.368 211 Y CB 0.830 39.219 38.460 -0.119 0.000 1.415 211 Y HN -0.097 nan 8.280 nan 0.000 0.527 212 E N 2.437 122.714 120.200 0.129 0.000 2.546 212 E HA 0.271 4.621 4.350 0.000 0.000 0.227 212 E C -2.730 173.881 176.600 0.017 0.000 1.009 212 E CA -2.248 54.179 56.400 0.046 0.000 0.813 212 E CB 0.526 30.244 29.700 0.030 0.000 1.269 212 E HN 0.288 nan 8.360 nan 0.000 0.432 213 P HA 0.248 nan 4.420 nan 0.000 0.281 213 P C -0.395 176.845 177.300 -0.101 0.000 1.249 213 P CA -0.365 62.682 63.100 -0.088 0.000 0.810 213 P CB 1.341 32.955 31.700 -0.144 0.000 1.008 214 T N 0.898 115.368 114.554 -0.139 0.000 2.841 214 T HA 0.341 4.691 4.350 0.000 0.000 0.283 214 T C -0.260 174.231 174.700 -0.348 0.000 1.000 214 T CA -0.482 61.501 62.100 -0.195 0.000 0.977 214 T CB 1.146 69.984 68.868 -0.050 0.000 0.979 214 T HN 0.067 nan 8.240 nan 0.000 0.446 215 V N 4.202 123.797 119.914 -0.531 0.000 2.383 215 V HA 0.421 4.542 4.120 0.000 0.000 0.275 215 V C 0.072 175.927 176.094 -0.398 0.000 1.036 215 V CA -0.662 61.285 62.300 -0.589 0.000 0.889 215 V CB 1.230 32.418 31.823 -1.060 0.000 0.985 215 V HN 0.861 nan 8.190 nan 0.000 0.459 216 M N 6.040 125.477 119.600 -0.272 0.000 2.129 216 M HA 0.543 5.023 4.480 0.000 0.000 0.348 216 M C -1.262 174.988 176.300 -0.084 0.000 1.116 216 M CA -0.431 54.763 55.300 -0.178 0.000 1.022 216 M CB 1.304 33.787 32.600 -0.196 0.000 1.599 216 M HN 0.474 nan 8.290 nan 0.000 0.449 217 V N 6.061 125.963 119.914 -0.020 0.000 2.370 217 V HA 0.345 4.465 4.120 0.000 0.000 0.283 217 V C 0.821 176.933 176.094 0.029 0.000 1.023 217 V CA -0.605 61.713 62.300 0.031 0.000 0.857 217 V CB 1.230 33.108 31.823 0.093 0.000 0.985 217 V HN 0.991 nan 8.190 nan 0.000 0.443 218 R N 3.186 123.705 120.500 0.031 0.000 2.066 218 R HA -0.093 4.247 4.340 0.000 0.000 0.232 218 R C 1.765 178.087 176.300 0.037 0.000 1.131 218 R CA 2.102 58.223 56.100 0.034 0.000 0.955 218 R CB 0.203 30.523 30.300 0.032 0.000 0.851 218 R HN 0.879 nan 8.270 nan 0.000 0.432 219 S N -0.604 115.121 115.700 0.041 0.000 3.884 219 S HA 0.240 4.710 4.470 0.000 0.000 0.174 219 S C 0.677 175.302 174.600 0.042 0.000 0.872 219 S CA -0.249 57.974 58.200 0.039 0.000 1.015 219 S CB -0.195 63.028 63.200 0.038 0.000 1.395 219 S HN 0.318 nan 8.310 nan 0.000 0.737 220 I N 0.313 120.912 120.570 0.049 0.000 2.957 220 I HA 0.842 5.012 4.170 0.000 0.000 0.310 220 I C -0.976 175.180 176.117 0.066 0.000 1.063 220 I CA -1.580 59.749 61.300 0.049 0.000 1.033 220 I CB 2.120 40.149 38.000 0.048 0.000 1.230 220 I HN 0.143 nan 8.210 nan 0.000 0.447 221 V N 4.543 124.492 119.914 0.059 0.000 2.583 221 V HA 0.198 4.318 4.120 0.000 0.000 0.287 221 V C 0.690 176.833 176.094 0.083 0.000 1.051 221 V CA -0.622 61.721 62.300 0.071 0.000 1.010 221 V CB 0.906 32.751 31.823 0.038 0.000 0.988 221 V HN 0.762 nan 8.190 nan 0.000 0.478 222 L N 2.999 124.281 121.223 0.097 0.000 3.879 222 L HA -0.189 4.151 4.340 0.000 0.000 0.481 222 L C 1.070 178.134 176.870 0.324 0.000 1.232 222 L CA 0.242 55.175 54.840 0.154 0.000 0.736 222 L CB -1.072 40.958 42.059 -0.049 0.000 1.511 222 L HN 0.777 nan 8.230 nan 0.000 0.830 223 R N 1.034 121.681 120.500 0.246 0.000 2.566 223 R HA 0.169 4.509 4.340 0.000 0.000 0.273 223 R C 1.473 177.937 176.300 0.273 0.000 0.981 223 R CA 1.425 57.652 56.100 0.213 0.000 1.091 223 R CB 0.210 30.594 30.300 0.139 0.000 0.924 223 R HN 0.578 nan 8.270 nan 0.000 0.411 224 G N 2.930 111.831 108.800 0.168 0.000 2.241 224 G HA2 -0.290 3.671 3.960 0.000 0.000 0.244 224 G HA3 -0.290 3.671 3.960 0.000 0.000 0.244 224 G C -0.108 174.765 174.900 -0.045 0.000 0.998 224 G CA 0.025 45.144 45.100 0.032 0.000 0.621 224 G HN 0.514 nan 8.290 nan 0.000 0.519 225 F N 1.564 121.596 119.950 0.136 0.000 2.399 225 F HA 0.499 5.026 4.527 0.000 0.000 0.328 225 F C 0.764 176.665 175.800 0.169 0.000 1.084 225 F CA -0.665 57.458 58.000 0.204 0.000 1.053 225 F CB 0.872 40.044 39.000 0.287 0.000 1.209 225 F HN -0.016 nan 8.300 nan 0.000 0.502 226 D N 2.146 122.784 120.400 0.397 0.000 2.581 226 D HA -0.106 4.534 4.640 0.000 0.000 0.238 226 D C 0.674 177.043 176.300 0.115 0.000 1.145 226 D CA 0.346 54.454 54.000 0.179 0.000 0.866 226 D CB 0.948 41.754 40.800 0.010 0.000 1.151 226 D HN 0.496 nan 8.370 nan 0.000 0.500 227 Q N 2.944 122.780 119.800 0.059 0.000 2.311 227 Q HA -0.142 4.198 4.340 0.000 0.000 0.203 227 Q C 1.664 177.646 176.000 -0.030 0.000 0.954 227 Q CA 0.628 56.447 55.803 0.026 0.000 0.885 227 Q CB -0.022 28.732 28.738 0.028 0.000 0.963 227 Q HN 0.717 nan 8.270 nan 0.000 0.471 228 Q N -0.097 119.677 119.800 -0.044 0.000 2.046 228 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 228 Q C 1.760 177.690 176.000 -0.117 0.000 0.975 228 Q CA 1.065 56.825 55.803 -0.073 0.000 0.836 228 Q CB 0.153 28.860 28.738 -0.052 0.000 0.896 228 Q HN 0.197 nan 8.270 nan 0.000 0.428 229 M N 0.111 119.629 119.600 -0.138 0.000 2.159 229 M HA -0.076 4.404 4.480 0.000 0.000 0.263 229 M C 2.263 178.330 176.300 -0.389 0.000 1.063 229 M CA 1.501 56.611 55.300 -0.315 0.000 1.110 229 M CB -1.403 30.898 32.600 -0.498 0.000 1.374 229 M HN 0.357 nan 8.290 nan 0.000 0.411 230 A N -0.124 122.564 122.820 -0.219 0.000 1.969 230 A HA -0.114 4.206 4.320 0.000 0.000 0.218 230 A C 2.135 179.622 177.584 -0.162 0.000 1.169 230 A CA 1.273 53.216 52.037 -0.155 0.000 0.635 230 A CB -0.368 18.622 19.000 -0.017 0.000 0.810 230 A HN 0.397 nan 8.150 nan 0.000 0.445 231 E N -0.034 120.075 120.200 -0.152 0.000 2.158 231 E HA -0.019 4.331 4.350 0.000 0.000 0.191 231 E C 1.984 178.456 176.600 -0.212 0.000 0.982 231 E CA 0.532 56.829 56.400 -0.171 0.000 0.823 231 E CB -0.300 29.325 29.700 -0.124 0.000 0.766 231 E HN 0.675 nan 8.360 nan 0.000 0.468 232 L N 0.244 121.352 121.223 -0.191 0.000 2.093 232 L HA -0.118 4.222 4.340 0.000 0.000 0.208 232 L C 2.427 179.127 176.870 -0.282 0.000 1.085 232 L CA 0.549 55.289 54.840 -0.166 0.000 0.755 232 L CB -0.307 41.708 42.059 -0.074 0.000 0.904 232 L HN -0.023 nan 8.230 nan 0.000 0.435 233 V N -0.016 119.747 119.914 -0.252 0.000 2.358 233 V HA -0.243 3.877 4.120 0.000 0.000 0.246 233 V C 2.735 178.687 176.094 -0.237 0.000 1.047 233 V CA 1.729 63.907 62.300 -0.202 0.000 1.035 233 V CB -0.717 31.023 31.823 -0.139 0.000 0.658 233 V HN 0.459 nan 8.190 nan 0.000 0.452 234 A N 0.101 122.745 122.820 -0.293 0.000 1.877 234 A HA -0.130 4.190 4.320 0.000 0.000 0.216 234 A C 2.416 179.634 177.584 -0.610 0.000 1.186 234 A CA 2.126 53.868 52.037 -0.491 0.000 0.620 234 A CB -0.823 17.794 19.000 -0.639 0.000 0.822 234 A HN 0.565 nan 8.150 nan 0.000 0.443 235 A N -1.068 121.413 122.820 -0.565 0.000 1.933 235 A HA -0.080 4.240 4.320 0.000 0.000 0.218 235 A C 2.431 179.508 177.584 -0.845 0.000 1.175 235 A CA 2.019 53.695 52.037 -0.602 0.000 0.628 235 A CB -0.928 17.781 19.000 -0.485 0.000 0.814 235 A HN 0.493 nan 8.150 nan 0.000 0.444 236 S N -0.851 114.227 115.700 -1.038 0.000 2.370 236 S HA -0.185 4.285 4.470 0.000 0.000 0.226 236 S C 2.059 176.518 174.600 -0.234 0.000 1.033 236 S CA 1.907 59.681 58.200 -0.709 0.000 1.011 236 S CB -0.388 62.592 63.200 -0.367 0.000 0.852 236 S HN 0.585 nan 8.310 nan 0.000 0.457 237 M N 0.377 119.889 119.600 -0.147 0.000 2.236 237 M HA -0.028 4.452 4.480 0.000 0.000 0.266 237 M C 2.089 178.441 176.300 0.086 0.000 1.070 237 M CA 1.160 56.492 55.300 0.053 0.000 1.137 237 M CB -0.393 32.350 32.600 0.238 0.000 1.378 237 M HN 0.320 nan 8.290 nan 0.000 0.426 238 E N 0.432 120.640 120.200 0.013 0.000 2.110 238 E HA -0.239 4.111 4.350 0.000 0.000 0.193 238 E C 1.842 178.454 176.600 0.020 0.000 0.988 238 E CA 1.159 57.578 56.400 0.032 0.000 0.804 238 E CB -0.183 29.478 29.700 -0.064 0.000 0.745 238 E HN 0.507 nan 8.360 nan 0.000 0.458 239 E N 1.174 121.373 120.200 -0.001 0.000 2.097 239 E HA -0.214 4.136 4.350 0.000 0.000 0.196 239 E C 1.599 178.231 176.600 0.053 0.000 1.000 239 E CA 1.047 57.487 56.400 0.067 0.000 0.804 239 E CB 0.094 29.898 29.700 0.175 0.000 0.740 239 E HN 0.109 nan 8.360 nan 0.000 0.454 240 R N -1.043 119.485 120.500 0.046 0.000 2.325 240 R HA 0.085 4.425 4.340 0.000 0.000 0.214 240 R C 0.853 177.176 176.300 0.038 0.000 0.961 240 R CA 0.491 56.616 56.100 0.042 0.000 1.086 240 R CB 0.461 30.792 30.300 0.053 0.000 1.037 240 R HN 0.331 nan 8.270 nan 0.000 0.493 241 G N 1.474 110.299 108.800 0.042 0.000 2.132 241 G HA2 -0.247 3.713 3.960 0.000 0.000 0.228 241 G HA3 -0.247 3.713 3.960 0.000 0.000 0.228 241 G C 0.054 174.981 174.900 0.046 0.000 1.000 241 G CA -0.436 44.686 45.100 0.037 0.000 0.693 241 G HN 0.265 nan 8.290 nan 0.000 0.515 242 I N 2.635 123.253 120.570 0.079 0.000 2.297 242 I HA 0.315 4.485 4.170 0.000 0.000 0.291 242 I C -1.714 174.497 176.117 0.157 0.000 1.033 242 I CA -2.320 59.022 61.300 0.070 0.000 1.253 242 I CB 1.464 39.494 38.000 0.050 0.000 1.396 242 I HN -0.069 nan 8.210 nan 0.000 0.476 243 P HA 0.317 nan 4.420 nan 0.000 0.281 243 P C -1.098 176.243 177.300 0.068 0.000 1.249 243 P CA -0.181 63.002 63.100 0.138 0.000 0.810 243 P CB 0.827 32.561 31.700 0.058 0.000 1.008 244 F N 0.481 120.402 119.950 -0.047 0.000 2.520 244 F HA 0.420 4.947 4.527 0.000 0.000 0.322 244 F C 0.261 176.024 175.800 -0.061 0.000 1.103 244 F CA -0.968 56.996 58.000 -0.061 0.000 0.926 244 F CB 1.858 40.823 39.000 -0.058 0.000 1.154 244 F HN -0.064 nan 8.300 nan 0.000 0.453 245 L N 5.205 126.448 121.223 0.033 0.000 2.283 245 L HA 0.467 4.807 4.340 0.000 0.000 0.281 245 L C -0.111 176.771 176.870 0.020 0.000 1.033 245 L CA -0.765 54.062 54.840 -0.022 0.000 0.848 245 L CB 0.427 42.370 42.059 -0.194 0.000 1.226 245 L HN 0.496 nan 8.230 nan 0.000 0.429 246 R N 3.893 124.429 120.500 0.059 0.000 2.539 246 R HA 0.178 4.518 4.340 0.000 0.000 0.275 246 R C 0.312 176.639 176.300 0.045 0.000 1.077 246 R CA -0.549 55.587 56.100 0.059 0.000 1.097 246 R CB 0.619 30.949 30.300 0.049 0.000 1.018 246 R HN 0.371 nan 8.270 nan 0.000 0.483 247 K N -0.064 120.361 120.400 0.043 0.000 3.077 247 K HA -0.147 4.173 4.320 0.000 0.000 0.264 247 K C -0.650 175.980 176.600 0.050 0.000 1.008 247 K CA 1.038 57.350 56.287 0.043 0.000 0.740 247 K CB -1.910 30.614 32.500 0.041 0.000 1.273 247 K HN 0.711 nan 8.250 nan 0.000 0.477 248 T N -0.454 114.124 114.554 0.040 0.000 2.863 248 T HA 0.582 4.932 4.350 0.000 0.000 0.285 248 T C -0.118 174.611 174.700 0.049 0.000 1.009 248 T CA -0.690 61.440 62.100 0.050 0.000 0.989 248 T CB 2.736 71.604 68.868 0.001 0.000 1.004 248 T HN -0.026 nan 8.240 nan 0.000 0.455 249 V N 5.089 125.055 119.914 0.087 0.000 2.604 249 V HA 0.516 4.636 4.120 0.000 0.000 0.305 249 V C -2.168 174.011 176.094 0.141 0.000 1.043 249 V CA -2.292 60.060 62.300 0.087 0.000 0.888 249 V CB 2.285 34.148 31.823 0.066 0.000 0.995 249 V HN 0.721 nan 8.190 nan 0.000 0.429 250 P HA 0.217 nan 4.420 nan 0.000 0.274 250 P C -0.188 177.204 177.300 0.154 0.000 1.231 250 P CA -0.126 63.102 63.100 0.214 0.000 0.790 250 P CB 1.730 33.611 31.700 0.301 0.000 0.951 251 L N 0.725 122.047 121.223 0.165 0.000 2.547 251 L HA 0.229 4.569 4.340 0.000 0.000 0.218 251 L C 1.002 177.934 176.870 0.104 0.000 1.048 251 L CA 1.226 56.129 54.840 0.105 0.000 0.859 251 L CB -0.403 41.706 42.059 0.085 0.000 1.128 251 L HN 0.694 nan 8.230 nan 0.000 0.483 252 S N -1.359 114.433 115.700 0.153 0.000 2.611 252 S HA 0.626 5.096 4.470 0.000 0.000 0.270 252 S C -1.212 173.526 174.600 0.229 0.000 1.131 252 S CA -0.305 57.997 58.200 0.170 0.000 0.826 252 S CB 1.160 64.432 63.200 0.120 0.000 1.095 252 S HN 0.281 nan 8.310 nan 0.000 0.461 253 V N -1.055 119.020 119.914 0.268 0.000 2.760 253 V HA 0.974 5.094 4.120 0.000 0.000 0.309 253 V C -1.340 174.869 176.094 0.192 0.000 1.077 253 V CA -0.453 61.995 62.300 0.247 0.000 0.910 253 V CB 1.820 33.841 31.823 0.331 0.000 1.008 253 V HN 1.000 nan 8.190 nan 0.000 0.424 254 E N 2.125 122.322 120.200 -0.006 0.000 2.314 254 E HA 0.430 4.781 4.350 0.000 0.000 0.272 254 E C -1.320 175.009 176.600 -0.453 0.000 0.884 254 E CA -0.849 55.428 56.400 -0.205 0.000 0.753 254 E CB 2.570 32.239 29.700 -0.052 0.000 1.213 254 E HN 0.890 nan 8.360 nan 0.000 0.432 255 K N 2.619 122.504 120.400 -0.859 0.000 2.338 255 K HA 0.066 4.386 4.320 0.000 0.000 0.290 255 K C -0.047 176.399 176.600 -0.256 0.000 1.069 255 K CA -0.102 55.826 56.287 -0.597 0.000 0.941 255 K CB 0.236 32.347 32.500 -0.648 0.000 1.023 255 K HN 0.362 nan 8.250 nan 0.000 0.477 256 Q N 2.881 122.583 119.800 -0.163 0.000 2.230 256 Q HA 0.172 4.512 4.340 0.000 0.000 0.248 256 Q C -0.820 175.141 176.000 -0.064 0.000 0.915 256 Q CA -1.011 54.738 55.803 -0.089 0.000 0.900 256 Q CB 1.011 29.708 28.738 -0.068 0.000 1.229 256 Q HN 0.564 nan 8.270 nan 0.000 0.439 257 D N 1.426 121.802 120.400 -0.040 0.000 2.422 257 D HA 0.016 4.656 4.640 0.000 0.000 0.263 257 D C -0.585 175.700 176.300 -0.025 0.000 1.334 257 D CA 0.305 54.290 54.000 -0.025 0.000 1.105 257 D CB 0.394 41.185 40.800 -0.015 0.000 1.107 257 D HN 0.882 nan 8.370 nan 0.000 0.522 258 D N -0.253 120.131 120.400 -0.027 0.000 1.999 258 D HA 0.077 4.718 4.640 0.000 0.000 0.758 258 D C 1.531 177.815 176.300 -0.026 0.000 0.564 258 D CA 0.700 54.684 54.000 -0.027 0.000 1.286 258 D CB -0.217 40.562 40.800 -0.035 0.000 1.248 258 D HN 0.379 nan 8.370 nan 0.000 0.365 259 G N 0.669 109.451 108.800 -0.029 0.000 2.320 259 G HA2 -0.280 3.680 3.960 0.000 0.000 0.242 259 G HA3 -0.280 3.680 3.960 0.000 0.000 0.242 259 G C 0.375 175.253 174.900 -0.036 0.000 1.033 259 G CA 0.598 45.683 45.100 -0.025 0.000 0.620 259 G HN 0.235 nan 8.290 nan 0.000 0.517 260 K N 0.368 120.743 120.400 -0.042 0.000 2.219 260 K HA 0.542 4.863 4.320 0.000 0.000 0.258 260 K C 0.300 176.867 176.600 -0.056 0.000 1.008 260 K CA -0.151 56.109 56.287 -0.044 0.000 0.928 260 K CB 0.848 33.320 32.500 -0.047 0.000 0.983 260 K HN 0.332 nan 8.250 nan 0.000 0.484 261 L N 3.088 124.293 121.223 -0.030 0.000 2.298 261 L HA 0.272 4.612 4.340 0.000 0.000 0.284 261 L C -0.434 176.460 176.870 0.040 0.000 1.013 261 L CA -1.061 53.764 54.840 -0.026 0.000 0.824 261 L CB 1.145 43.202 42.059 -0.003 0.000 1.221 261 L HN 0.286 nan 8.230 nan 0.000 0.418 262 L N 5.419 126.646 121.223 0.007 0.000 2.281 262 L HA 0.423 4.764 4.340 0.000 0.000 0.285 262 L C -0.497 176.440 176.870 0.111 0.000 1.074 262 L CA 0.064 54.934 54.840 0.051 0.000 0.817 262 L CB 1.385 43.446 42.059 0.003 0.000 1.168 262 L HN 0.254 nan 8.230 nan 0.000 0.434 263 V N 5.895 125.935 119.914 0.210 0.000 2.357 263 V HA 0.382 4.502 4.120 0.000 0.000 0.284 263 V C -0.160 176.073 176.094 0.232 0.000 1.018 263 V CA -0.853 61.597 62.300 0.249 0.000 0.841 263 V CB 1.293 33.295 31.823 0.300 0.000 0.991 263 V HN 0.803 nan 8.190 nan 0.000 0.437 264 K N 5.417 125.903 120.400 0.143 0.000 2.172 264 K HA 0.679 4.999 4.320 0.000 0.000 0.276 264 K C -0.915 175.763 176.600 0.130 0.000 1.013 264 K CA -0.502 55.802 56.287 0.029 0.000 0.913 264 K CB 1.192 33.688 32.500 -0.005 0.000 1.055 264 K HN 0.648 nan 8.250 nan 0.000 0.461 265 Y N -0.831 119.515 120.300 0.076 0.000 2.669 265 Y HA 0.636 5.186 4.550 0.000 0.000 0.335 265 Y C -1.302 174.629 175.900 0.053 0.000 1.116 265 Y CA -1.446 56.695 58.100 0.070 0.000 1.081 265 Y CB 1.741 40.246 38.460 0.075 0.000 1.297 265 Y HN 0.666 nan 8.280 nan 0.000 0.484 266 K N 1.537 122.115 120.400 0.296 0.000 2.565 266 K HA 0.315 4.635 4.320 0.000 0.000 0.251 266 K C -1.978 174.720 176.600 0.164 0.000 0.956 266 K CA -0.622 55.763 56.287 0.164 0.000 0.809 266 K CB 1.758 34.315 32.500 0.095 0.000 1.267 266 K HN 0.941 nan 8.250 nan 0.000 0.438 267 N N 2.506 121.289 118.700 0.138 0.000 2.497 267 N HA -0.013 4.727 4.740 0.000 0.000 0.268 267 N C 0.681 176.233 175.510 0.071 0.000 1.171 267 N CA -0.054 53.057 53.050 0.102 0.000 0.948 267 N CB 1.290 39.830 38.487 0.089 0.000 1.069 267 N HN 0.405 nan 8.380 nan 0.000 0.460 268 V N 3.103 123.053 119.914 0.059 0.000 3.052 268 V HA 0.023 4.143 4.120 0.000 0.000 0.254 268 V C 1.412 177.527 176.094 0.036 0.000 1.100 268 V CA 1.390 63.718 62.300 0.045 0.000 1.112 268 V CB -0.348 31.500 31.823 0.042 0.000 0.738 268 V HN 0.733 nan 8.190 nan 0.000 0.469 269 E N 0.555 120.777 120.200 0.036 0.000 2.030 269 E HA -0.009 4.341 4.350 0.000 0.000 0.189 269 E C 1.489 178.106 176.600 0.028 0.000 0.974 269 E CA 1.263 57.681 56.400 0.029 0.000 0.807 269 E CB -0.245 29.471 29.700 0.028 0.000 0.771 269 E HN 0.753 nan 8.360 nan 0.000 0.451 270 T N -2.060 112.514 114.554 0.033 0.000 2.885 270 T HA 0.229 4.579 4.350 0.000 0.000 0.356 270 T C 1.011 175.730 174.700 0.032 0.000 1.137 270 T CA 0.001 62.119 62.100 0.031 0.000 1.014 270 T CB 1.078 69.966 68.868 0.034 0.000 1.410 270 T HN 0.101 nan 8.240 nan 0.000 0.532 271 G N -0.416 108.402 108.800 0.029 0.000 4.144 271 G HA2 0.252 4.212 3.960 0.000 0.000 0.297 271 G HA3 0.252 4.212 3.960 0.000 0.000 0.297 271 G C -0.119 174.798 174.900 0.029 0.000 1.090 271 G CA -0.390 44.727 45.100 0.029 0.000 0.870 271 G HN 0.862 nan 8.290 nan 0.000 0.532 272 E N 1.480 121.704 120.200 0.040 0.000 2.081 272 E HA 0.104 4.454 4.350 0.000 0.000 0.270 272 E C -0.182 176.431 176.600 0.021 0.000 1.180 272 E CA -0.120 56.300 56.400 0.033 0.000 0.926 272 E CB 0.238 29.966 29.700 0.047 0.000 1.035 272 E HN 0.333 nan 8.360 nan 0.000 0.418 273 E N 2.780 122.972 120.200 -0.013 0.000 2.290 273 E HA 0.145 4.495 4.350 0.000 0.000 0.277 273 E C -0.768 175.751 176.600 -0.136 0.000 1.035 273 E CA 0.018 56.382 56.400 -0.059 0.000 0.873 273 E CB 1.569 31.244 29.700 -0.043 0.000 1.029 273 E HN 0.264 nan 8.360 nan 0.000 0.419 274 S N 2.247 117.761 115.700 -0.310 0.000 2.671 274 S HA 0.414 4.884 4.470 0.000 0.000 0.277 274 S C -1.755 172.370 174.600 -0.791 0.000 1.165 274 S CA -0.825 57.084 58.200 -0.485 0.000 0.822 274 S CB 1.359 64.283 63.200 -0.459 0.000 1.150 274 S HN 0.585 nan 8.310 nan 0.000 0.479 275 E N 1.017 120.859 120.200 -0.596 0.000 2.412 275 E HA 0.715 5.065 4.350 0.000 0.000 0.279 275 E C -1.986 174.578 176.600 -0.059 0.000 0.984 275 E CA -0.804 55.387 56.400 -0.348 0.000 0.788 275 E CB 2.044 31.654 29.700 -0.151 0.000 1.277 275 E HN 0.368 nan 8.360 nan 0.000 0.455 276 D N 0.257 120.747 120.400 0.149 0.000 2.622 276 D HA 0.344 4.985 4.640 0.000 0.000 0.255 276 D C -1.930 174.337 176.300 -0.055 0.000 1.246 276 D CA -0.522 53.504 54.000 0.043 0.000 0.795 276 D CB 2.562 43.389 40.800 0.045 0.000 1.369 276 D HN 0.301 nan 8.370 nan 0.000 0.425 277 V N 2.733 122.460 119.914 -0.311 0.000 2.417 277 V HA 0.671 4.792 4.120 0.000 0.000 0.291 277 V C -1.431 174.383 176.094 -0.467 0.000 1.024 277 V CA -0.083 62.079 62.300 -0.230 0.000 0.861 277 V CB 0.540 32.284 31.823 -0.132 0.000 0.985 277 V HN 0.492 nan 8.190 nan 0.000 0.436 278 Y N 3.820 124.088 120.300 -0.054 0.000 2.570 278 Y HA 0.507 5.057 4.550 0.000 0.000 0.345 278 Y C 0.956 176.798 175.900 -0.098 0.000 1.014 278 Y CA -0.929 57.121 58.100 -0.083 0.000 1.063 278 Y CB 1.884 40.277 38.460 -0.111 0.000 1.272 278 Y HN 0.540 nan 8.280 nan 0.000 0.477 279 D N 0.208 120.635 120.400 0.045 0.000 2.194 279 D HA 0.020 4.660 4.640 0.000 0.000 0.204 279 D C -0.132 176.129 176.300 -0.066 0.000 0.964 279 D CA 1.286 55.266 54.000 -0.035 0.000 0.846 279 D CB 0.349 41.099 40.800 -0.082 0.000 0.962 279 D HN 0.474 nan 8.370 nan 0.000 0.490 280 T N 0.042 114.542 114.554 -0.089 0.000 2.933 280 T HA 0.452 4.802 4.350 0.000 0.000 0.305 280 T C -0.612 173.930 174.700 -0.265 0.000 1.092 280 T CA -0.629 61.366 62.100 -0.175 0.000 1.008 280 T CB 3.107 71.828 68.868 -0.245 0.000 1.102 280 T HN -0.348 nan 8.240 nan 0.000 0.469 281 V N 3.375 123.074 119.914 -0.358 0.000 2.407 281 V HA 0.516 4.636 4.120 0.000 0.000 0.291 281 V C -0.829 174.811 176.094 -0.758 0.000 1.018 281 V CA -0.810 61.117 62.300 -0.622 0.000 0.842 281 V CB 1.485 32.861 31.823 -0.746 0.000 0.996 281 V HN 0.722 nan 8.190 nan 0.000 0.426 282 L N 5.891 126.707 121.223 -0.678 0.000 2.265 282 L HA 0.583 4.923 4.340 0.000 0.000 0.289 282 L C -0.865 175.707 176.870 -0.497 0.000 1.033 282 L CA -0.215 54.304 54.840 -0.535 0.000 0.814 282 L CB 0.800 42.639 42.059 -0.368 0.000 1.203 282 L HN 0.652 nan 8.230 nan 0.000 0.423 283 W N 5.708 126.893 121.300 -0.192 0.000 2.433 283 W HA 0.575 5.235 4.660 0.000 0.000 0.331 283 W C 0.403 176.791 176.519 -0.219 0.000 1.110 283 W CA -0.871 56.349 57.345 -0.208 0.000 1.450 283 W CB 0.758 30.060 29.460 -0.263 0.000 1.348 283 W HN 0.732 nan 8.180 nan 0.000 0.415 284 A N 5.054 127.879 122.820 0.009 0.000 3.249 284 A HA 0.345 4.666 4.320 0.000 0.000 0.297 284 A C 0.380 177.949 177.584 -0.025 0.000 1.302 284 A CA -0.519 51.487 52.037 -0.051 0.000 1.074 284 A CB -0.920 18.013 19.000 -0.112 0.000 1.132 284 A HN 0.790 nan 8.150 nan 0.000 0.575 285 I N -2.309 118.262 120.570 0.001 0.000 3.850 285 I HA 0.608 4.778 4.170 0.000 0.000 0.333 285 I C 0.581 176.692 176.117 -0.009 0.000 1.511 285 I CA 0.222 61.522 61.300 -0.000 0.000 1.199 285 I CB -0.180 37.822 38.000 0.003 0.000 1.217 285 I HN 0.536 nan 8.210 nan 0.000 0.423 286 G N 1.490 110.280 108.800 -0.016 0.000 2.603 286 G HA2 -0.068 3.893 3.960 0.000 0.000 0.686 286 G HA3 -0.068 3.893 3.960 0.000 0.000 0.686 286 G C -0.917 173.987 174.900 0.006 0.000 1.286 286 G CA -1.058 44.042 45.100 0.001 0.000 0.871 286 G HN 0.490 nan 8.290 nan 0.000 0.568 287 R N -0.361 120.156 120.500 0.029 0.000 2.686 287 R HA 0.658 4.998 4.340 0.000 0.000 0.286 287 R C -0.279 176.055 176.300 0.057 0.000 0.969 287 R CA -0.988 55.141 56.100 0.047 0.000 0.898 287 R CB 2.406 32.743 30.300 0.062 0.000 1.183 287 R HN 0.624 nan 8.270 nan 0.000 0.456 288 K N 1.143 121.584 120.400 0.068 0.000 2.307 288 K HA 0.354 4.674 4.320 0.000 0.000 0.263 288 K C -0.170 176.479 176.600 0.082 0.000 0.973 288 K CA -0.539 55.790 56.287 0.070 0.000 0.846 288 K CB 1.581 34.121 32.500 0.067 0.000 1.100 288 K HN 0.803 nan 8.250 nan 0.000 0.438 289 G N 3.834 112.682 108.800 0.080 0.000 2.305 289 G HA2 0.058 4.019 3.960 0.000 0.000 0.243 289 G HA3 0.058 4.019 3.960 0.000 0.000 0.243 289 G C 0.314 175.266 174.900 0.086 0.000 1.288 289 G CA -0.418 44.735 45.100 0.087 0.000 0.901 289 G HN 0.716 nan 8.290 nan 0.000 0.516 290 L N 3.538 124.818 121.223 0.095 0.000 2.912 290 L HA 0.036 4.376 4.340 0.000 0.000 0.246 290 L C 2.086 179.007 176.870 0.085 0.000 1.371 290 L CA -0.531 54.364 54.840 0.092 0.000 1.196 290 L CB -0.326 41.796 42.059 0.105 0.000 1.596 290 L HN 0.604 nan 8.230 nan 0.000 0.429 291 V N -3.186 116.773 119.914 0.076 0.000 2.379 291 V HA -0.193 3.927 4.120 0.000 0.000 0.245 291 V C 2.018 178.148 176.094 0.059 0.000 1.044 291 V CA 1.368 63.709 62.300 0.070 0.000 1.036 291 V CB -0.586 31.271 31.823 0.057 0.000 0.664 291 V HN 0.647 nan 8.190 nan 0.000 0.453 292 D N 1.057 121.487 120.400 0.050 0.000 2.303 292 D HA -0.350 4.290 4.640 0.000 0.000 0.190 292 D C 1.531 177.853 176.300 0.038 0.000 1.011 292 D CA 2.324 56.347 54.000 0.039 0.000 0.860 292 D CB -0.797 40.026 40.800 0.038 0.000 0.961 292 D HN 0.462 nan 8.370 nan 0.000 0.453 293 D N 0.028 120.454 120.400 0.043 0.000 2.378 293 D HA 0.040 4.680 4.640 0.000 0.000 0.222 293 D C 2.100 178.419 176.300 0.032 0.000 0.980 293 D CA 0.081 54.099 54.000 0.031 0.000 0.907 293 D CB -0.104 40.715 40.800 0.032 0.000 0.899 293 D HN 0.330 nan 8.370 nan 0.000 0.527 294 L N 0.181 121.440 121.223 0.060 0.000 2.375 294 L HA 0.009 4.349 4.340 0.000 0.000 0.215 294 L C -0.016 176.933 176.870 0.132 0.000 1.108 294 L CA 0.054 54.953 54.840 0.099 0.000 0.830 294 L CB -0.165 41.990 42.059 0.160 0.000 0.959 294 L HN -0.064 nan 8.230 nan 0.000 0.457 295 N N 0.656 119.404 118.700 0.081 0.000 2.667 295 N HA -0.221 4.519 4.740 0.000 0.000 0.263 295 N C 0.746 176.298 175.510 0.071 0.000 1.038 295 N CA 0.482 53.570 53.050 0.063 0.000 0.749 295 N CB -1.420 37.097 38.487 0.051 0.000 0.892 295 N HN 0.307 nan 8.380 nan 0.000 0.546 296 L N 0.440 121.680 121.223 0.029 0.000 2.083 296 L HA -0.099 4.241 4.340 0.000 0.000 0.209 296 L C -0.288 176.506 176.870 -0.126 0.000 1.083 296 L CA 1.308 56.105 54.840 -0.071 0.000 0.752 296 L CB -1.130 40.891 42.059 -0.063 0.000 0.899 296 L HN 0.274 nan 8.230 nan 0.000 0.433 297 P HA -0.200 nan 4.420 nan 0.000 0.217 297 P C 0.799 178.052 177.300 -0.078 0.000 1.148 297 P CA 1.565 64.621 63.100 -0.073 0.000 0.828 297 P CB -0.300 31.375 31.700 -0.042 0.000 0.783 298 N N -0.226 118.440 118.700 -0.056 0.000 2.223 298 N HA -0.082 4.658 4.740 0.000 0.000 0.185 298 N C 1.570 177.023 175.510 -0.095 0.000 1.016 298 N CA 0.859 53.887 53.050 -0.038 0.000 0.863 298 N CB -0.172 38.331 38.487 0.025 0.000 0.983 298 N HN 0.140 nan 8.380 nan 0.000 0.429 299 A N 0.201 122.883 122.820 -0.231 0.000 2.267 299 A HA 0.371 4.691 4.320 0.000 0.000 0.213 299 A C 1.403 178.796 177.584 -0.318 0.000 1.192 299 A CA 0.522 52.310 52.037 -0.415 0.000 0.851 299 A CB 0.026 18.377 19.000 -1.082 0.000 0.881 299 A HN 0.263 nan 8.150 nan 0.000 0.494 300 G N -0.588 108.080 108.800 -0.219 0.000 2.221 300 G HA2 -0.180 3.780 3.960 0.000 0.000 0.265 300 G HA3 -0.180 3.780 3.960 0.000 0.000 0.265 300 G C 0.051 174.845 174.900 -0.178 0.000 1.041 300 G CA 0.285 45.288 45.100 -0.162 0.000 0.807 300 G HN 0.799 nan 8.290 nan 0.000 0.502 301 V N 1.575 121.358 119.914 -0.219 0.000 2.432 301 V HA 0.614 4.734 4.120 0.000 0.000 0.275 301 V C 1.123 177.140 176.094 -0.129 0.000 1.043 301 V CA 0.100 62.282 62.300 -0.197 0.000 0.925 301 V CB 1.365 33.032 31.823 -0.260 0.000 0.985 301 V HN 0.683 nan 8.190 nan 0.000 0.466 302 T N 2.742 117.234 114.554 -0.105 0.000 2.889 302 T HA 0.663 5.014 4.350 0.000 0.000 0.291 302 T C -0.419 174.242 174.700 -0.066 0.000 0.995 302 T CA -0.595 61.457 62.100 -0.081 0.000 1.092 302 T CB 1.477 70.298 68.868 -0.078 0.000 0.954 302 T HN 0.315 nan 8.240 nan 0.000 0.506 303 V N 2.763 122.644 119.914 -0.055 0.000 2.628 303 V HA 0.440 4.560 4.120 0.000 0.000 0.306 303 V C 0.106 176.167 176.094 -0.055 0.000 1.045 303 V CA -0.914 61.364 62.300 -0.036 0.000 0.905 303 V CB 1.749 33.562 31.823 -0.017 0.000 0.997 303 V HN 1.024 nan 8.190 nan 0.000 0.436 304 Q N 4.035 123.801 119.800 -0.058 0.000 2.842 304 Q HA 0.299 4.639 4.340 0.000 0.000 0.323 304 Q C -0.114 175.874 176.000 -0.019 0.000 1.111 304 Q CA -0.374 55.363 55.803 -0.110 0.000 1.047 304 Q CB 0.084 28.640 28.738 -0.304 0.000 1.280 304 Q HN 0.672 nan 8.270 nan 0.000 0.475 305 K N 2.909 123.308 120.400 -0.002 0.000 6.088 305 K HA -0.253 4.068 4.320 0.000 0.000 0.624 305 K C -0.334 176.303 176.600 0.062 0.000 1.685 305 K CA 1.409 57.713 56.287 0.027 0.000 1.516 305 K CB -1.267 31.248 32.500 0.026 0.000 1.815 305 K HN 0.983 nan 8.250 nan 0.000 0.319 306 D N 0.107 120.540 120.400 0.054 0.000 2.955 306 D HA -0.266 4.374 4.640 0.000 0.000 0.205 306 D C -0.671 175.680 176.300 0.085 0.000 1.104 306 D CA 2.286 56.326 54.000 0.066 0.000 1.005 306 D CB -0.148 40.691 40.800 0.065 0.000 1.123 306 D HN 0.656 nan 8.370 nan 0.000 0.407 307 K N -0.133 120.330 120.400 0.105 0.000 2.395 307 K HA 0.655 4.975 4.320 0.000 0.000 0.247 307 K C -0.275 176.389 176.600 0.107 0.000 0.973 307 K CA -0.873 55.493 56.287 0.132 0.000 0.828 307 K CB 1.661 34.293 32.500 0.220 0.000 1.272 307 K HN 0.238 nan 8.250 nan 0.000 0.439 308 I N 3.854 124.486 120.570 0.104 0.000 2.328 308 I HA 0.208 4.378 4.170 0.000 0.000 0.287 308 I C -2.089 174.078 176.117 0.083 0.000 1.012 308 I CA -2.159 59.181 61.300 0.067 0.000 1.195 308 I CB 1.738 39.771 38.000 0.055 0.000 1.350 308 I HN 0.140 nan 8.210 nan 0.000 0.464 309 P HA 0.108 nan 4.420 nan 0.000 0.271 309 P C -0.591 176.719 177.300 0.017 0.000 1.220 309 P CA 0.016 63.137 63.100 0.035 0.000 0.768 309 P CB 1.206 32.868 31.700 -0.063 0.000 0.848 310 V N 0.505 120.441 119.914 0.035 0.000 3.074 310 V HA 0.603 4.723 4.120 0.000 0.000 0.314 310 V C -0.019 176.091 176.094 0.028 0.000 1.117 310 V CA -1.101 61.216 62.300 0.028 0.000 1.014 310 V CB 1.918 33.780 31.823 0.066 0.000 1.057 310 V HN 0.499 nan 8.190 nan 0.000 0.438 311 D N 1.300 121.718 120.400 0.029 0.000 2.478 311 D HA 0.197 4.837 4.640 0.000 0.000 0.274 311 D C 1.465 177.811 176.300 0.077 0.000 1.234 311 D CA 0.206 54.228 54.000 0.038 0.000 1.069 311 D CB 0.653 41.467 40.800 0.023 0.000 1.113 311 D HN 0.869 nan 8.370 nan 0.000 0.571 312 S N -1.640 114.109 115.700 0.081 0.000 2.500 312 S HA -0.191 4.279 4.470 0.000 0.000 0.239 312 S C 1.154 175.836 174.600 0.137 0.000 0.989 312 S CA 0.802 59.071 58.200 0.115 0.000 0.951 312 S CB -0.547 62.707 63.200 0.091 0.000 0.759 312 S HN 0.536 nan 8.310 nan 0.000 0.523 313 Q N 0.362 120.242 119.800 0.133 0.000 2.220 313 Q HA 0.120 4.460 4.340 0.000 0.000 0.205 313 Q C -0.343 175.807 176.000 0.250 0.000 0.865 313 Q CA 0.139 56.041 55.803 0.166 0.000 0.960 313 Q CB 0.221 29.056 28.738 0.163 0.000 1.097 313 Q HN 0.618 nan 8.270 nan 0.000 0.493 314 E N -2.100 118.237 120.200 0.228 0.000 3.370 314 E HA -0.237 4.113 4.350 0.000 0.000 0.291 314 E C -0.204 176.570 176.600 0.290 0.000 0.916 314 E CA 1.040 57.598 56.400 0.262 0.000 0.981 314 E CB -2.162 27.701 29.700 0.272 0.000 1.498 314 E HN 0.389 nan 8.360 nan 0.000 0.452 315 A N 1.344 124.247 122.820 0.138 0.000 2.425 315 A HA 0.466 4.786 4.320 0.000 0.000 0.249 315 A C 1.067 178.545 177.584 -0.177 0.000 1.084 315 A CA 0.492 52.355 52.037 -0.290 0.000 0.781 315 A CB 0.441 19.241 19.000 -0.334 0.000 1.019 315 A HN 0.402 nan 8.150 nan 0.000 0.490 316 T N -0.105 114.302 114.554 -0.246 0.000 2.810 316 T HA 0.196 4.546 4.350 0.000 0.000 0.277 316 T C 1.199 175.804 174.700 -0.158 0.000 0.973 316 T CA -0.103 61.906 62.100 -0.151 0.000 0.949 316 T CB 0.370 69.154 68.868 -0.140 0.000 1.075 316 T HN 0.730 nan 8.240 nan 0.000 0.537 317 N N -0.299 118.327 118.700 -0.125 0.000 2.588 317 N HA -0.083 4.657 4.740 0.000 0.000 0.190 317 N C 0.013 175.446 175.510 -0.128 0.000 1.094 317 N CA 0.307 53.290 53.050 -0.112 0.000 0.921 317 N CB -0.635 37.795 38.487 -0.096 0.000 0.959 317 N HN 0.400 nan 8.380 nan 0.000 0.448 318 V N 1.154 120.969 119.914 -0.165 0.000 2.328 318 V HA 0.426 4.546 4.120 0.000 0.000 0.278 318 V C 1.406 177.380 176.094 -0.199 0.000 1.021 318 V CA -0.503 61.694 62.300 -0.171 0.000 0.838 318 V CB 0.753 32.452 31.823 -0.206 0.000 0.999 318 V HN 0.274 nan 8.190 nan 0.000 0.447 319 A N 4.315 127.046 122.820 -0.148 0.000 1.958 319 A HA -0.232 4.088 4.320 0.000 0.000 0.221 319 A C 1.954 179.437 177.584 -0.169 0.000 1.178 319 A CA 2.424 54.374 52.037 -0.145 0.000 0.642 319 A CB -0.451 18.520 19.000 -0.048 0.000 0.816 319 A HN 0.890 nan 8.150 nan 0.000 0.453 320 N N -0.622 118.027 118.700 -0.086 0.000 2.412 320 N HA 0.058 4.798 4.740 0.000 0.000 0.184 320 N C 0.032 175.615 175.510 0.123 0.000 1.101 320 N CA 0.129 53.213 53.050 0.056 0.000 0.881 320 N CB 0.064 38.580 38.487 0.050 0.000 0.969 320 N HN 0.491 nan 8.380 nan 0.000 0.459 321 I N 1.318 121.836 120.570 -0.086 0.000 2.465 321 I HA 0.313 4.484 4.170 0.000 0.000 0.291 321 I C -1.126 174.882 176.117 -0.182 0.000 1.014 321 I CA -0.885 60.440 61.300 0.042 0.000 1.093 321 I CB 1.433 39.391 38.000 -0.069 0.000 1.267 321 I HN -0.127 nan 8.210 nan 0.000 0.431 322 Y N 3.706 124.091 120.300 0.140 0.000 2.562 322 Y HA 0.810 5.360 4.550 0.000 0.000 0.343 322 Y C 0.146 176.121 175.900 0.125 0.000 1.025 322 Y CA -0.938 57.228 58.100 0.110 0.000 1.082 322 Y CB 2.022 40.544 38.460 0.104 0.000 1.264 322 Y HN 0.544 nan 8.280 nan 0.000 0.478 323 A N 1.088 124.062 122.820 0.255 0.000 2.414 323 A HA 0.859 5.180 4.320 0.000 0.000 0.306 323 A C -1.743 175.955 177.584 0.189 0.000 1.054 323 A CA -0.781 51.373 52.037 0.195 0.000 0.724 323 A CB 1.802 20.883 19.000 0.135 0.000 1.267 323 A HN 0.664 nan 8.150 nan 0.000 0.418 324 V N 1.154 121.169 119.914 0.168 0.000 3.048 324 V HA 0.780 4.900 4.120 0.000 0.000 0.303 324 V C 0.432 176.610 176.094 0.141 0.000 1.214 324 V CA 1.227 63.624 62.300 0.162 0.000 0.984 324 V CB 1.666 33.581 31.823 0.153 0.000 1.054 324 V HN 2.915 nan 8.190 nan 0.000 0.430 325 G N 4.943 113.830 108.800 0.146 0.000 2.499 325 G HA2 -0.197 3.763 3.960 0.000 0.000 0.232 325 G HA3 -0.197 3.763 3.960 0.000 0.000 0.232 325 G C 0.173 175.140 174.900 0.110 0.000 1.251 325 G CA 0.583 45.760 45.100 0.128 0.000 0.917 325 G HN 0.871 nan 8.290 nan 0.000 0.580 326 D N 0.410 120.872 120.400 0.103 0.000 2.149 326 D HA -0.079 4.561 4.640 0.000 0.000 0.198 326 D C 2.587 178.936 176.300 0.080 0.000 0.990 326 D CA 1.949 56.003 54.000 0.090 0.000 0.839 326 D CB -0.321 40.539 40.800 0.100 0.000 0.948 326 D HN 0.636 nan 8.370 nan 0.000 0.460 327 I N -0.472 120.154 120.570 0.094 0.000 2.567 327 I HA -0.080 4.090 4.170 0.000 0.000 0.257 327 I C 1.049 177.220 176.117 0.090 0.000 1.184 327 I CA 0.165 61.521 61.300 0.093 0.000 1.451 327 I CB -0.872 37.190 38.000 0.103 0.000 1.089 327 I HN -0.090 nan 8.210 nan 0.000 0.441 328 I N 1.370 121.987 120.570 0.079 0.000 2.683 328 I HA -0.136 4.034 4.170 0.000 0.000 0.286 328 I C 0.146 176.289 176.117 0.043 0.000 1.175 328 I CA -0.112 61.227 61.300 0.065 0.000 1.429 328 I CB 0.184 38.208 38.000 0.041 0.000 1.371 328 I HN 0.154 nan 8.210 nan 0.000 0.569 329 Y N 6.418 126.701 120.300 -0.029 0.000 2.465 329 Y HA 0.266 4.816 4.550 0.000 0.000 0.331 329 Y C 1.135 176.994 175.900 -0.067 0.000 1.102 329 Y CA 0.158 58.237 58.100 -0.035 0.000 1.358 329 Y CB 0.538 38.980 38.460 -0.030 0.000 1.213 329 Y HN 0.794 nan 8.280 nan 0.000 0.525 330 G N 4.621 112.868 108.800 -0.920 0.000 2.323 330 G HA2 -0.244 3.716 3.960 0.000 0.000 0.292 330 G HA3 -0.244 3.716 3.960 0.000 0.000 0.292 330 G C -0.181 174.489 174.900 -0.383 0.000 1.040 330 G CA 0.186 44.809 45.100 -0.795 0.000 0.942 330 G HN 0.484 nan 8.290 nan 0.000 0.506 331 K N -0.619 119.599 120.400 -0.303 0.000 2.350 331 K HA 0.552 4.872 4.320 0.000 0.000 0.241 331 K C -2.509 174.015 176.600 -0.127 0.000 0.994 331 K CA -2.161 53.954 56.287 -0.286 0.000 0.839 331 K CB 1.275 33.462 32.500 -0.522 0.000 1.244 331 K HN -0.045 nan 8.250 nan 0.000 0.443 332 P HA 0.099 nan 4.420 nan 0.000 0.267 332 P C -0.882 176.454 177.300 0.060 0.000 1.209 332 P CA 0.098 63.212 63.100 0.023 0.000 0.763 332 P CB 0.264 32.002 31.700 0.064 0.000 0.816 333 E N 3.054 123.290 120.200 0.061 0.000 1.964 333 E HA 0.284 4.635 4.350 0.000 0.000 0.264 333 E C -0.391 176.281 176.600 0.120 0.000 1.120 333 E CA -0.109 56.349 56.400 0.096 0.000 1.061 333 E CB -0.147 29.616 29.700 0.105 0.000 1.190 333 E HN 0.375 nan 8.360 nan 0.000 0.459 334 L N 0.092 121.375 121.223 0.100 0.000 2.376 334 L HA 0.319 4.659 4.340 0.000 0.000 0.258 334 L C 1.336 178.254 176.870 0.080 0.000 1.013 334 L CA -0.695 54.197 54.840 0.086 0.000 0.822 334 L CB 1.935 44.022 42.059 0.046 0.000 1.388 334 L HN 0.140 nan 8.230 nan 0.000 0.413 335 T N 0.684 115.281 114.554 0.072 0.000 2.708 335 T HA -0.050 4.300 4.350 0.000 0.000 0.266 335 T C -1.197 173.527 174.700 0.041 0.000 1.037 335 T CA 1.816 63.950 62.100 0.057 0.000 1.146 335 T CB -0.465 68.430 68.868 0.046 0.000 0.865 335 T HN 0.465 nan 8.240 nan 0.000 0.435 336 P HA 0.087 nan 4.420 nan 0.000 0.225 336 P C 1.499 178.801 177.300 0.004 0.000 1.156 336 P CA 0.349 63.456 63.100 0.012 0.000 0.787 336 P CB -0.120 31.583 31.700 0.004 0.000 0.802 337 V N 0.776 120.703 119.914 0.021 0.000 2.261 337 V HA -0.266 3.854 4.120 0.000 0.000 0.246 337 V C 2.550 178.669 176.094 0.042 0.000 1.047 337 V CA 2.402 64.717 62.300 0.025 0.000 1.015 337 V CB -1.770 30.110 31.823 0.095 0.000 0.642 337 V HN 0.105 nan 8.190 nan 0.000 0.446 338 A N -0.198 122.667 122.820 0.075 0.000 1.883 338 A HA -0.184 4.136 4.320 0.000 0.000 0.217 338 A C 2.407 180.022 177.584 0.050 0.000 1.186 338 A CA 2.284 54.370 52.037 0.082 0.000 0.624 338 A CB -0.817 18.234 19.000 0.086 0.000 0.822 338 A HN 0.330 nan 8.150 nan 0.000 0.444 339 V N -0.503 119.429 119.914 0.030 0.000 2.287 339 V HA -0.238 3.882 4.120 0.000 0.000 0.248 339 V C 2.503 178.597 176.094 0.000 0.000 1.053 339 V CA 2.100 64.409 62.300 0.015 0.000 1.027 339 V CB -0.742 31.084 31.823 0.006 0.000 0.646 339 V HN 0.586 nan 8.190 nan 0.000 0.447 340 L N 0.436 121.648 121.223 -0.017 0.000 2.109 340 L HA 0.066 4.406 4.340 0.000 0.000 0.207 340 L C 2.393 179.233 176.870 -0.050 0.000 1.086 340 L CA 2.102 56.917 54.840 -0.041 0.000 0.760 340 L CB -0.857 41.163 42.059 -0.064 0.000 0.910 340 L HN 0.209 nan 8.230 nan 0.000 0.437 341 A N -0.534 122.257 122.820 -0.048 0.000 1.902 341 A HA -0.049 4.271 4.320 0.000 0.000 0.217 341 A C 2.322 179.915 177.584 0.014 0.000 1.181 341 A CA 1.467 53.486 52.037 -0.030 0.000 0.623 341 A CB -1.517 17.504 19.000 0.035 0.000 0.818 341 A HN 0.498 nan 8.150 nan 0.000 0.443 342 G N -0.589 108.229 108.800 0.029 0.000 2.418 342 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 342 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 342 G C 1.747 176.655 174.900 0.012 0.000 1.158 342 G CA 1.070 46.189 45.100 0.032 0.000 0.771 342 G HN 0.570 nan 8.290 nan 0.000 0.545 343 R N -0.061 120.440 120.500 0.002 0.000 2.073 343 R HA 0.069 4.410 4.340 0.000 0.000 0.234 343 R C 2.595 178.889 176.300 -0.010 0.000 1.134 343 R CA 1.096 57.194 56.100 -0.003 0.000 0.952 343 R CB -0.409 29.885 30.300 -0.010 0.000 0.850 343 R HN 0.373 nan 8.270 nan 0.000 0.433 344 L N 0.784 121.993 121.223 -0.022 0.000 2.079 344 L HA -0.214 4.126 4.340 0.000 0.000 0.210 344 L C 2.489 179.337 176.870 -0.036 0.000 1.081 344 L CA 0.695 55.517 54.840 -0.030 0.000 0.752 344 L CB -0.527 41.506 42.059 -0.043 0.000 0.896 344 L HN 0.306 nan 8.230 nan 0.000 0.433 345 L N 0.373 121.573 121.223 -0.038 0.000 1.994 345 L HA -0.160 4.180 4.340 0.000 0.000 0.208 345 L C 2.669 179.470 176.870 -0.115 0.000 1.071 345 L CA 2.167 56.956 54.840 -0.085 0.000 0.745 345 L CB -0.865 41.151 42.059 -0.072 0.000 0.892 345 L HN 0.138 nan 8.230 nan 0.000 0.431 346 A N -0.616 122.180 122.820 -0.041 0.000 1.940 346 A HA -0.272 4.048 4.320 0.000 0.000 0.219 346 A C 2.520 180.136 177.584 0.052 0.000 1.176 346 A CA 1.960 54.023 52.037 0.042 0.000 0.631 346 A CB -0.658 18.391 19.000 0.081 0.000 0.814 346 A HN 0.516 nan 8.150 nan 0.000 0.446 347 R N -0.707 119.798 120.500 0.008 0.000 2.148 347 R HA 0.020 4.360 4.340 0.000 0.000 0.223 347 R C 2.265 178.547 176.300 -0.030 0.000 1.088 347 R CA 1.052 57.157 56.100 0.007 0.000 0.985 347 R CB -0.120 30.179 30.300 -0.002 0.000 0.880 347 R HN 0.526 nan 8.270 nan 0.000 0.451 348 R N -0.448 120.008 120.500 -0.073 0.000 2.127 348 R HA 0.021 4.361 4.340 0.000 0.000 0.217 348 R C 2.053 178.248 176.300 -0.175 0.000 1.074 348 R CA 0.814 56.856 56.100 -0.096 0.000 0.991 348 R CB -0.052 30.197 30.300 -0.084 0.000 0.895 348 R HN 0.226 nan 8.270 nan 0.000 0.450 349 L N -1.054 119.984 121.223 -0.308 0.000 2.131 349 L HA -0.092 4.248 4.340 0.000 0.000 0.206 349 L C 1.197 177.635 176.870 -0.720 0.000 1.087 349 L CA 1.387 55.856 54.840 -0.618 0.000 0.767 349 L CB 0.030 41.513 42.059 -0.959 0.000 0.917 349 L HN 0.197 nan 8.230 nan 0.000 0.441 350 Y N -2.746 117.533 120.300 -0.035 0.000 2.425 350 Y HA 0.270 4.820 4.550 0.000 0.000 0.261 350 Y C 2.029 177.919 175.900 -0.017 0.000 1.084 350 Y CA 0.125 58.212 58.100 -0.022 0.000 1.248 350 Y CB 0.384 38.830 38.460 -0.022 0.000 1.270 350 Y HN -0.045 nan 8.280 nan 0.000 0.524 351 G N -0.451 108.399 108.800 0.084 0.000 3.126 351 G HA2 0.333 4.293 3.960 0.000 0.000 0.224 351 G HA3 0.333 4.293 3.960 0.000 0.000 0.224 351 G C 1.242 176.155 174.900 0.021 0.000 1.142 351 G CA 0.185 45.316 45.100 0.051 0.000 0.759 351 G HN 0.430 nan 8.290 nan 0.000 0.550 352 G N 0.014 108.817 108.800 0.005 0.000 2.273 352 G HA2 -0.191 3.769 3.960 0.000 0.000 0.280 352 G HA3 -0.191 3.769 3.960 0.000 0.000 0.280 352 G C 0.313 175.209 174.900 -0.007 0.000 1.047 352 G CA 0.651 45.749 45.100 -0.004 0.000 0.869 352 G HN 0.983 nan 8.290 nan 0.000 0.502 353 S N -1.074 114.618 115.700 -0.014 0.000 2.578 353 S HA 0.734 5.204 4.470 0.000 0.000 0.283 353 S C 1.329 175.919 174.600 -0.016 0.000 1.195 353 S CA 0.679 58.871 58.200 -0.013 0.000 1.050 353 S CB 1.319 64.511 63.200 -0.015 0.000 1.012 353 S HN 1.158 nan 8.310 nan 0.000 0.511 354 T N 0.955 115.503 114.554 -0.010 0.000 3.174 354 T HA 0.285 4.635 4.350 0.000 0.000 0.269 354 T C 0.272 174.969 174.700 -0.004 0.000 1.017 354 T CA -0.309 61.788 62.100 -0.005 0.000 0.899 354 T CB -0.124 68.744 68.868 -0.000 0.000 1.077 354 T HN 0.615 nan 8.240 nan 0.000 0.552 355 Q N 1.912 121.706 119.800 -0.011 0.000 2.307 355 Q HA 0.298 4.638 4.340 0.000 0.000 0.259 355 Q C -0.282 175.709 176.000 -0.015 0.000 0.998 355 Q CA -0.472 55.323 55.803 -0.014 0.000 0.923 355 Q CB 0.674 29.400 28.738 -0.020 0.000 1.196 355 Q HN 0.446 nan 8.270 nan 0.000 0.416 356 R N 2.340 122.834 120.500 -0.009 0.000 2.553 356 R HA 0.330 4.670 4.340 0.000 0.000 0.263 356 R C -0.156 176.120 176.300 -0.041 0.000 1.066 356 R CA -0.907 55.192 56.100 -0.002 0.000 1.135 356 R CB 0.639 30.955 30.300 0.027 0.000 1.148 356 R HN 0.537 nan 8.270 nan 0.000 0.558 357 M N 1.568 121.127 119.600 -0.068 0.000 2.217 357 M HA 0.022 4.502 4.480 0.000 0.000 0.354 357 M C -0.645 175.516 176.300 -0.232 0.000 1.225 357 M CA 0.005 55.166 55.300 -0.233 0.000 1.137 357 M CB 0.517 32.847 32.600 -0.450 0.000 1.576 357 M HN 0.266 nan 8.290 nan 0.000 0.461 358 D N 3.729 123.982 120.400 -0.245 0.000 2.412 358 D HA 0.112 4.752 4.640 0.000 0.000 0.224 358 D C -0.705 175.479 176.300 -0.193 0.000 1.093 358 D CA 0.134 54.051 54.000 -0.138 0.000 0.850 358 D CB 0.102 40.857 40.800 -0.075 0.000 1.046 358 D HN 0.651 nan 8.370 nan 0.000 0.507 359 Y N 2.219 122.522 120.300 0.004 0.000 2.470 359 Y HA 0.124 4.674 4.550 0.000 0.000 0.284 359 Y C 0.649 176.544 175.900 -0.009 0.000 1.188 359 Y CA -0.175 57.923 58.100 -0.002 0.000 1.269 359 Y CB 0.465 38.925 38.460 0.000 0.000 1.094 359 Y HN -0.056 nan 8.280 nan 0.000 0.518 360 K N 0.429 120.889 120.400 0.100 0.000 2.123 360 K HA 0.164 4.485 4.320 0.000 0.000 0.259 360 K C -0.183 176.435 176.600 0.030 0.000 0.960 360 K CA -0.470 55.856 56.287 0.064 0.000 0.872 360 K CB 0.851 33.387 32.500 0.059 0.000 1.079 360 K HN 0.098 nan 8.250 nan 0.000 0.440 361 D N 0.028 120.442 120.400 0.022 0.000 2.699 361 D HA -0.142 4.498 4.640 0.000 0.000 0.239 361 D C -0.603 175.686 176.300 -0.018 0.000 1.136 361 D CA 0.615 54.616 54.000 0.002 0.000 0.668 361 D CB -1.435 39.370 40.800 0.007 0.000 1.060 361 D HN 0.118 nan 8.370 nan 0.000 0.429 362 V N 0.238 120.143 119.914 -0.015 0.000 2.455 362 V HA 0.471 4.591 4.120 0.000 0.000 0.273 362 V C 1.214 177.275 176.094 -0.054 0.000 1.045 362 V CA -0.267 62.017 62.300 -0.026 0.000 0.976 362 V CB 1.314 33.136 31.823 -0.002 0.000 0.993 362 V HN 0.413 nan 8.190 nan 0.000 0.475 363 A N 4.468 127.252 122.820 -0.061 0.000 2.386 363 A HA 0.650 4.970 4.320 0.000 0.000 0.248 363 A C 0.309 177.841 177.584 -0.087 0.000 1.082 363 A CA 0.056 52.042 52.037 -0.085 0.000 0.789 363 A CB 0.829 19.783 19.000 -0.078 0.000 1.025 363 A HN 0.798 nan 8.150 nan 0.000 0.490 364 T N -0.110 114.372 114.554 -0.120 0.000 2.868 364 T HA 0.646 4.996 4.350 0.000 0.000 0.306 364 T C -0.919 173.653 174.700 -0.214 0.000 1.224 364 T CA -0.284 61.738 62.100 -0.131 0.000 1.012 364 T CB 1.471 70.282 68.868 -0.095 0.000 1.221 364 T HN 0.698 nan 8.240 nan 0.000 0.499 365 T N 2.265 116.635 114.554 -0.307 0.000 2.848 365 T HA 0.526 4.876 4.350 0.000 0.000 0.285 365 T C -0.691 173.627 174.700 -0.638 0.000 0.995 365 T CA -0.466 61.295 62.100 -0.565 0.000 0.970 365 T CB 1.411 69.744 68.868 -0.892 0.000 0.976 365 T HN 0.463 nan 8.240 nan 0.000 0.441 366 V N 4.238 123.866 119.914 -0.477 0.000 2.353 366 V HA 0.278 4.398 4.120 0.000 0.000 0.264 366 V C -0.203 175.726 176.094 -0.275 0.000 1.049 366 V CA -0.503 61.635 62.300 -0.270 0.000 0.896 366 V CB -0.317 31.427 31.823 -0.131 0.000 1.025 366 V HN 0.870 nan 8.190 nan 0.000 0.475 367 F N 3.556 123.484 119.950 -0.036 0.000 2.705 367 F HA 0.143 4.670 4.527 0.000 0.000 0.355 367 F C 1.645 177.313 175.800 -0.220 0.000 1.172 367 F CA -0.437 57.414 58.000 -0.247 0.000 1.332 367 F CB -0.569 38.160 39.000 -0.451 0.000 1.621 367 F HN 0.543 nan 8.300 nan 0.000 0.605 368 T N -2.078 112.532 114.554 0.093 0.000 2.726 368 T HA 0.114 4.464 4.350 0.000 0.000 0.294 368 T C -1.495 173.376 174.700 0.285 0.000 1.013 368 T CA -1.566 60.630 62.100 0.161 0.000 0.996 368 T CB 0.816 69.759 68.868 0.125 0.000 1.016 368 T HN -0.024 nan 8.240 nan 0.000 0.529 369 P HA -0.024 nan 4.420 nan 0.000 0.214 369 P C 0.311 177.794 177.300 0.304 0.000 1.163 369 P CA 0.635 63.918 63.100 0.304 0.000 0.889 369 P CB -0.037 31.780 31.700 0.195 0.000 0.790 370 L N 0.333 121.701 121.223 0.242 0.000 2.257 370 L HA 0.183 4.524 4.340 0.000 0.000 0.290 370 L C 0.214 177.232 176.870 0.246 0.000 1.044 370 L CA -0.425 54.568 54.840 0.254 0.000 0.810 370 L CB 0.047 42.233 42.059 0.213 0.000 1.193 370 L HN -0.098 nan 8.230 nan 0.000 0.425 371 E N 3.197 123.572 120.200 0.291 0.000 2.398 371 E HA 0.063 4.413 4.350 0.000 0.000 0.263 371 E C -1.421 175.341 176.600 0.270 0.000 1.046 371 E CA 0.171 56.709 56.400 0.231 0.000 0.908 371 E CB 0.698 30.538 29.700 0.233 0.000 0.963 371 E HN 0.429 nan 8.360 nan 0.000 0.431 372 Y N 1.449 121.769 120.300 0.034 0.000 2.332 372 Y HA 0.531 5.081 4.550 0.000 0.000 0.326 372 Y C -1.206 174.717 175.900 0.038 0.000 0.978 372 Y CA -1.114 57.035 58.100 0.081 0.000 1.205 372 Y CB 0.650 39.138 38.460 0.046 0.000 1.131 372 Y HN 0.518 nan 8.280 nan 0.000 0.462 373 A N 4.737 127.497 122.820 -0.099 0.000 2.320 373 A HA 0.902 5.222 4.320 0.000 0.000 0.334 373 A C -0.734 176.634 177.584 -0.360 0.000 1.147 373 A CA 0.033 51.901 52.037 -0.283 0.000 0.820 373 A CB 0.314 19.245 19.000 -0.114 0.000 1.218 373 A HN 1.294 nan 8.150 nan 0.000 0.482 374 C N -0.622 118.451 119.300 -0.378 0.000 3.288 374 C HA 0.902 5.362 4.460 0.000 0.000 0.318 374 C C -0.909 173.919 174.990 -0.270 0.000 1.356 374 C CA -0.680 58.118 59.018 -0.366 0.000 1.359 374 C CB 0.822 28.292 27.740 -0.451 0.000 1.688 374 C HN 1.726 nan 8.230 nan 0.000 0.467 375 V N 1.430 121.172 119.914 -0.286 0.000 3.000 375 V HA 0.818 4.938 4.120 0.000 0.000 0.300 375 V C 0.339 176.349 176.094 -0.141 0.000 1.251 375 V CA 1.882 64.079 62.300 -0.171 0.000 0.972 375 V CB 1.560 33.308 31.823 -0.125 0.000 1.065 375 V HN 3.076 nan 8.190 nan 0.000 0.431 376 G N 4.437 113.202 108.800 -0.059 0.000 2.584 376 G HA2 -0.136 3.824 3.960 0.000 0.000 0.229 376 G HA3 -0.136 3.824 3.960 0.000 0.000 0.229 376 G C -0.676 174.265 174.900 0.068 0.000 1.320 376 G CA -0.202 44.910 45.100 0.021 0.000 0.891 376 G HN 1.297 nan 8.290 nan 0.000 0.573 377 L N 1.257 122.572 121.223 0.153 0.000 2.397 377 L HA 0.464 4.804 4.340 0.000 0.000 0.271 377 L C 1.705 178.773 176.870 0.331 0.000 1.148 377 L CA 0.106 55.057 54.840 0.186 0.000 0.825 377 L CB 1.211 43.371 42.059 0.167 0.000 1.117 377 L HN 1.016 nan 8.230 nan 0.000 0.456 378 S N 0.909 116.774 115.700 0.275 0.000 2.584 378 S HA -0.015 4.455 4.470 0.000 0.000 0.270 378 S C 0.961 175.640 174.600 0.132 0.000 1.346 378 S CA -0.277 58.060 58.200 0.228 0.000 1.018 378 S CB 1.136 64.425 63.200 0.148 0.000 0.899 378 S HN 0.779 nan 8.310 nan 0.000 0.542 379 E N 1.204 121.422 120.200 0.031 0.000 2.070 379 E HA -0.258 4.092 4.350 0.000 0.000 0.197 379 E C 2.054 178.683 176.600 0.049 0.000 1.004 379 E CA 1.783 58.208 56.400 0.042 0.000 0.805 379 E CB -0.219 29.476 29.700 -0.009 0.000 0.744 379 E HN 0.875 nan 8.360 nan 0.000 0.451 380 E N 0.410 120.630 120.200 0.032 0.000 2.106 380 E HA -0.225 4.125 4.350 0.000 0.000 0.192 380 E C 1.388 178.004 176.600 0.027 0.000 0.984 380 E CA 1.371 57.787 56.400 0.027 0.000 0.806 380 E CB -0.308 29.404 29.700 0.020 0.000 0.750 380 E HN 0.292 nan 8.360 nan 0.000 0.458 381 D N 1.551 121.972 120.400 0.035 0.000 2.144 381 D HA 0.004 4.644 4.640 0.000 0.000 0.200 381 D C 1.957 178.262 176.300 0.007 0.000 0.978 381 D CA 1.799 55.806 54.000 0.012 0.000 0.833 381 D CB -0.239 40.572 40.800 0.018 0.000 0.961 381 D HN 0.342 nan 8.370 nan 0.000 0.470 382 A N 0.339 123.200 122.820 0.069 0.000 1.930 382 A HA -0.097 4.223 4.320 0.000 0.000 0.217 382 A C 2.446 180.123 177.584 0.155 0.000 1.175 382 A CA 0.978 53.096 52.037 0.135 0.000 0.627 382 A CB -0.588 18.528 19.000 0.193 0.000 0.815 382 A HN 0.136 nan 8.150 nan 0.000 0.443 383 V N 0.914 120.885 119.914 0.094 0.000 2.358 383 V HA -0.255 3.865 4.120 0.000 0.000 0.246 383 V C 2.591 178.704 176.094 0.031 0.000 1.047 383 V CA 2.261 64.605 62.300 0.073 0.000 1.035 383 V CB -0.663 31.187 31.823 0.045 0.000 0.658 383 V HN 0.761 nan 8.190 nan 0.000 0.452 384 K N 0.218 120.615 120.400 -0.005 0.000 2.057 384 K HA -0.285 4.035 4.320 0.000 0.000 0.207 384 K C 2.200 178.736 176.600 -0.107 0.000 1.049 384 K CA 2.246 58.508 56.287 -0.042 0.000 0.931 384 K CB -0.160 32.314 32.500 -0.042 0.000 0.714 384 K HN 0.535 nan 8.250 nan 0.000 0.440 385 Q N -0.951 118.736 119.800 -0.189 0.000 2.096 385 Q HA -0.066 4.275 4.340 0.000 0.000 0.197 385 Q C 1.279 176.924 176.000 -0.592 0.000 0.964 385 Q CA 1.456 56.980 55.803 -0.465 0.000 0.838 385 Q CB 0.125 28.434 28.738 -0.714 0.000 0.906 385 Q HN 0.400 nan 8.270 nan 0.000 0.444 386 F N -1.006 118.901 119.950 -0.072 0.000 2.724 386 F HA 0.378 4.905 4.527 0.000 0.000 0.306 386 F C 0.706 176.508 175.800 0.002 0.000 1.100 386 F CA 0.329 58.308 58.000 -0.035 0.000 1.255 386 F CB 1.369 40.346 39.000 -0.038 0.000 1.072 386 F HN 0.124 nan 8.300 nan 0.000 0.589 387 G N 0.660 109.540 108.800 0.133 0.000 2.785 387 G HA2 0.093 4.053 3.960 0.000 0.000 0.686 387 G HA3 0.093 4.053 3.960 0.000 0.000 0.686 387 G C 0.577 175.537 174.900 0.101 0.000 1.155 387 G CA -0.613 44.544 45.100 0.095 0.000 0.760 387 G HN 0.396 nan 8.290 nan 0.000 0.624 388 A N 1.039 123.896 122.820 0.061 0.000 1.908 388 A HA -0.001 4.319 4.320 0.000 0.000 0.218 388 A C 2.131 179.736 177.584 0.035 0.000 1.181 388 A CA 2.436 54.499 52.037 0.044 0.000 0.627 388 A CB -0.330 18.683 19.000 0.022 0.000 0.818 388 A HN 1.516 nan 8.150 nan 0.000 0.445 389 D N -0.907 119.519 120.400 0.043 0.000 2.363 389 D HA -0.060 4.580 4.640 0.000 0.000 0.226 389 D C 0.701 177.029 176.300 0.045 0.000 1.020 389 D CA 0.593 54.616 54.000 0.039 0.000 0.892 389 D CB -0.148 40.685 40.800 0.055 0.000 0.900 389 D HN 0.404 nan 8.370 nan 0.000 0.531 390 E N -0.054 120.187 120.200 0.067 0.000 2.526 390 E HA 0.174 4.524 4.350 0.000 0.000 0.208 390 E C 0.328 176.950 176.600 0.036 0.000 0.997 390 E CA -0.305 56.136 56.400 0.069 0.000 0.961 390 E CB 1.252 31.042 29.700 0.150 0.000 1.030 390 E HN 0.325 nan 8.360 nan 0.000 0.483 391 I N 1.292 121.884 120.570 0.036 0.000 2.412 391 I HA 0.302 4.472 4.170 0.000 0.000 0.296 391 I C 0.021 176.113 176.117 -0.042 0.000 0.987 391 I CA -0.705 60.624 61.300 0.049 0.000 1.180 391 I CB 1.784 39.846 38.000 0.102 0.000 1.340 391 I HN -0.141 nan 8.210 nan 0.000 0.455 392 E N 4.362 124.532 120.200 -0.050 0.000 2.210 392 E HA 0.545 4.895 4.350 0.000 0.000 0.266 392 E C -1.529 175.007 176.600 -0.106 0.000 0.883 392 E CA -0.483 55.827 56.400 -0.150 0.000 0.761 392 E CB 1.911 31.500 29.700 -0.185 0.000 1.156 392 E HN 0.282 nan 8.360 nan 0.000 0.412 393 V N 5.396 125.180 119.914 -0.216 0.000 2.350 393 V HA 0.406 4.526 4.120 0.000 0.000 0.285 393 V C -0.767 175.173 176.094 -0.257 0.000 1.014 393 V CA -0.658 61.560 62.300 -0.137 0.000 0.831 393 V CB 0.389 32.133 31.823 -0.131 0.000 1.000 393 V HN 0.591 nan 8.190 nan 0.000 0.433 394 F N 4.897 124.842 119.950 -0.007 0.000 2.411 394 F HA 0.614 5.141 4.527 0.000 0.000 0.350 394 F C 0.710 176.562 175.800 0.086 0.000 1.114 394 F CA -0.136 57.890 58.000 0.043 0.000 1.135 394 F CB 0.637 39.652 39.000 0.025 0.000 1.120 394 F HN 0.729 nan 8.300 nan 0.000 0.495 395 H N 0.098 119.197 119.070 0.048 0.000 3.008 395 H HA 0.928 5.484 4.556 0.000 0.000 0.354 395 H C -0.855 174.404 175.328 -0.114 0.000 1.252 395 H CA -1.669 54.304 56.048 -0.124 0.000 1.117 395 H CB 2.227 31.920 29.762 -0.116 0.000 1.857 395 H HN 0.829 nan 8.280 nan 0.000 0.547 396 G N 0.500 109.069 108.800 -0.385 0.000 2.655 396 G HA2 0.329 4.289 3.960 0.000 0.000 0.296 396 G HA3 0.329 4.289 3.960 0.000 0.000 0.296 396 G C -2.252 172.508 174.900 -0.233 0.000 1.485 396 G CA -0.927 44.011 45.100 -0.269 0.000 0.869 396 G HN 0.479 nan 8.290 nan 0.000 0.540 397 Y N 0.595 120.910 120.300 0.026 0.000 2.310 397 Y HA 0.595 5.145 4.550 0.000 0.000 0.326 397 Y C 0.554 176.482 175.900 0.046 0.000 1.151 397 Y CA 0.026 58.153 58.100 0.045 0.000 1.195 397 Y CB 1.514 39.964 38.460 -0.016 0.000 1.210 397 Y HN 0.706 nan 8.280 nan 0.000 0.483 398 Y N -1.289 119.038 120.300 0.045 0.000 2.669 398 Y HA 0.753 5.304 4.550 0.000 0.000 0.335 398 Y C -1.618 174.236 175.900 -0.077 0.000 1.116 398 Y CA -1.934 56.149 58.100 -0.028 0.000 1.081 398 Y CB 1.536 39.942 38.460 -0.089 0.000 1.297 398 Y HN 0.327 nan 8.280 nan 0.000 0.484 399 K N 2.394 122.790 120.400 -0.006 0.000 2.559 399 K HA 0.401 4.721 4.320 0.000 0.000 0.249 399 K C -3.022 173.485 176.600 -0.155 0.000 0.958 399 K CA -1.832 54.316 56.287 -0.232 0.000 0.901 399 K CB 1.810 34.222 32.500 -0.148 0.000 1.124 399 K HN 0.398 nan 8.250 nan 0.000 0.437 400 P HA 0.000 nan 4.420 nan 0.000 0.265 400 P C 0.430 177.700 177.300 -0.050 0.000 1.193 400 P CA 0.033 63.010 63.100 -0.204 0.000 0.765 400 P CB 0.764 32.060 31.700 -0.675 0.000 0.823 401 T N 1.280 115.948 114.554 0.190 0.000 2.737 401 T HA -0.170 4.180 4.350 0.000 0.000 0.269 401 T C 1.281 176.227 174.700 0.411 0.000 1.040 401 T CA 1.464 63.798 62.100 0.390 0.000 1.142 401 T CB -0.344 68.677 68.868 0.255 0.000 0.861 401 T HN 0.586 nan 8.240 nan 0.000 0.456 402 E N 0.618 121.018 120.200 0.333 0.000 2.482 402 E HA 0.031 4.381 4.350 0.000 0.000 0.196 402 E C 1.471 178.379 176.600 0.513 0.000 1.047 402 E CA 0.417 57.070 56.400 0.422 0.000 0.869 402 E CB -0.684 29.220 29.700 0.341 0.000 0.836 402 E HN 0.596 nan 8.360 nan 0.000 0.520 403 F N -0.251 119.719 119.950 0.033 0.000 2.615 403 F HA 0.114 4.642 4.527 0.000 0.000 0.297 403 F C 1.609 177.361 175.800 -0.079 0.000 1.124 403 F CA -0.014 57.946 58.000 -0.067 0.000 1.451 403 F CB -0.071 38.804 39.000 -0.208 0.000 1.103 403 F HN -0.107 nan 8.300 nan 0.000 0.569 404 F N 0.574 120.668 119.950 0.240 0.000 2.051 404 F HA -0.224 4.303 4.527 0.000 0.000 0.296 404 F C 2.265 178.083 175.800 0.030 0.000 1.122 404 F CA 1.360 59.428 58.000 0.113 0.000 1.201 404 F CB -0.624 38.426 39.000 0.083 0.000 0.978 404 F HN -0.170 nan 8.300 nan 0.000 0.472 405 I N 0.346 121.015 120.570 0.165 0.000 2.179 405 I HA -0.202 3.968 4.170 0.000 0.000 0.242 405 I C -0.599 175.479 176.117 -0.065 0.000 1.088 405 I CA 1.097 62.343 61.300 -0.090 0.000 1.357 405 I CB -1.605 36.075 38.000 -0.533 0.000 1.051 405 I HN 0.072 nan 8.210 nan 0.000 0.409 406 P HA -0.097 nan 4.420 nan 0.000 0.242 406 P C -0.286 177.019 177.300 0.009 0.000 1.197 406 P CA 0.569 63.695 63.100 0.044 0.000 0.765 406 P CB -0.047 31.718 31.700 0.108 0.000 0.936 407 Q N -0.624 119.191 119.800 0.026 0.000 2.452 407 Q HA -0.177 4.163 4.340 0.000 0.000 0.318 407 Q C -0.532 175.450 176.000 -0.030 0.000 1.386 407 Q CA 0.647 56.461 55.803 0.018 0.000 0.872 407 Q CB -1.870 26.878 28.738 0.017 0.000 1.151 407 Q HN 0.448 nan 8.270 nan 0.000 0.417 408 K N 0.486 120.839 120.400 -0.078 0.000 2.218 408 K HA 0.328 4.648 4.320 0.000 0.000 0.276 408 K C 0.426 177.003 176.600 -0.040 0.000 1.022 408 K CA -0.288 55.892 56.287 -0.179 0.000 0.946 408 K CB 1.145 33.267 32.500 -0.629 0.000 1.000 408 K HN 0.120 nan 8.250 nan 0.000 0.468 409 S N 1.311 116.993 115.700 -0.030 0.000 2.575 409 S HA -0.019 4.451 4.470 0.000 0.000 0.295 409 S C 0.800 175.464 174.600 0.106 0.000 1.267 409 S CA -0.633 57.575 58.200 0.012 0.000 1.074 409 S CB 0.141 63.353 63.200 0.020 0.000 0.829 409 S HN 0.474 nan 8.310 nan 0.000 0.497 410 V N 4.125 124.031 119.914 -0.013 0.000 3.376 410 V HA 0.370 4.490 4.120 0.000 0.000 0.313 410 V C 1.789 177.765 176.094 -0.197 0.000 1.393 410 V CA 0.228 62.470 62.300 -0.097 0.000 1.125 410 V CB -0.606 31.102 31.823 -0.192 0.000 1.037 410 V HN 0.845 nan 8.190 nan 0.000 0.440 411 R N 0.443 120.774 120.500 -0.282 0.000 2.105 411 R HA -0.108 4.232 4.340 0.000 0.000 0.239 411 R C 1.470 177.412 176.300 -0.598 0.000 1.135 411 R CA 2.301 58.047 56.100 -0.590 0.000 0.967 411 R CB -0.221 29.583 30.300 -0.826 0.000 0.861 411 R HN 0.660 nan 8.270 nan 0.000 0.442 412 Y N -1.695 118.624 120.300 0.032 0.000 2.507 412 Y HA 0.225 4.776 4.550 0.000 0.000 0.254 412 Y C 0.149 176.076 175.900 0.044 0.000 1.171 412 Y CA -0.956 57.187 58.100 0.072 0.000 1.238 412 Y CB 0.572 39.046 38.460 0.024 0.000 1.148 412 Y HN -0.019 nan 8.280 nan 0.000 0.525 413 C N 2.389 121.690 119.300 0.002 0.000 2.428 413 C HA 0.154 4.614 4.460 0.000 0.000 0.362 413 C C -0.180 174.693 174.990 -0.195 0.000 1.114 413 C CA -0.321 58.483 59.018 -0.356 0.000 1.473 413 C CB -2.650 24.505 27.740 -0.975 0.000 2.003 413 C HN 0.347 nan 8.230 nan 0.000 0.526 414 Y N 2.726 122.928 120.300 -0.163 0.000 2.477 414 Y HA 0.747 5.297 4.550 0.000 0.000 0.347 414 Y C -0.976 174.854 175.900 -0.116 0.000 0.981 414 Y CA -1.238 56.713 58.100 -0.249 0.000 1.033 414 Y CB 0.783 38.999 38.460 -0.406 0.000 1.245 414 Y HN 0.477 nan 8.280 nan 0.000 0.455 415 L N 6.060 126.810 121.223 -0.788 0.000 2.422 415 L HA 0.600 4.941 4.340 0.000 0.000 0.264 415 L C -1.649 174.798 176.870 -0.704 0.000 0.984 415 L CA -0.872 53.590 54.840 -0.631 0.000 0.819 415 L CB 2.346 44.032 42.059 -0.621 0.000 1.330 415 L HN 0.826 nan 8.230 nan 0.000 0.410 416 K N 3.001 123.233 120.400 -0.281 0.000 2.543 416 K HA 0.740 5.060 4.320 0.000 0.000 0.255 416 K C -1.927 174.806 176.600 0.222 0.000 0.934 416 K CA -0.474 55.785 56.287 -0.047 0.000 0.810 416 K CB 2.237 34.713 32.500 -0.039 0.000 1.315 416 K HN 0.608 nan 8.250 nan 0.000 0.433 417 A N 3.506 126.462 122.820 0.226 0.000 2.311 417 A HA 0.526 4.846 4.320 0.000 0.000 0.306 417 A C -1.047 176.676 177.584 0.232 0.000 1.189 417 A CA -0.696 51.485 52.037 0.241 0.000 0.791 417 A CB 1.183 20.293 19.000 0.184 0.000 1.172 417 A HN 0.373 nan 8.150 nan 0.000 0.481 418 V N 2.096 122.146 119.914 0.227 0.000 2.406 418 V HA 0.670 4.791 4.120 0.000 0.000 0.272 418 V C 0.576 176.774 176.094 0.174 0.000 1.043 418 V CA 0.271 62.699 62.300 0.213 0.000 0.915 418 V CB 0.582 32.557 31.823 0.253 0.000 0.988 418 V HN 1.176 nan 8.190 nan 0.000 0.466 419 A N 3.541 126.430 122.820 0.114 0.000 2.527 419 A HA 0.676 4.996 4.320 0.000 0.000 0.293 419 A C -0.345 177.120 177.584 -0.199 0.000 1.117 419 A CA -0.751 51.205 52.037 -0.135 0.000 0.723 419 A CB 1.252 20.232 19.000 -0.033 0.000 1.313 419 A HN 0.769 nan 8.150 nan 0.000 0.411 420 E N 0.607 120.428 120.200 -0.631 0.000 2.415 420 E HA 0.028 4.378 4.350 0.000 0.000 0.263 420 E C 0.886 177.389 176.600 -0.163 0.000 0.995 420 E CA -0.113 56.086 56.400 -0.334 0.000 0.915 420 E CB 0.531 29.960 29.700 -0.452 0.000 0.951 420 E HN 0.641 nan 8.360 nan 0.000 0.449 421 R N 3.786 124.202 120.500 -0.139 0.000 2.073 421 R HA -0.060 4.280 4.340 0.000 0.000 0.229 421 R C 0.547 176.647 176.300 -0.334 0.000 1.120 421 R CA 0.943 56.885 56.100 -0.263 0.000 0.967 421 R CB 0.173 30.233 30.300 -0.400 0.000 0.862 421 R HN 0.600 nan 8.270 nan 0.000 0.436 422 H N -1.958 117.113 119.070 0.001 0.000 2.713 422 H HA 0.371 4.927 4.556 0.000 0.000 0.340 422 H C 0.817 176.137 175.328 -0.013 0.000 1.271 422 H CA 0.050 56.100 56.048 0.003 0.000 1.306 422 H CB 1.010 30.779 29.762 0.011 0.000 1.839 422 H HN 0.383 nan 8.280 nan 0.000 0.627 423 G N 0.701 109.589 108.800 0.146 0.000 2.561 423 G HA2 -0.391 3.569 3.960 0.000 0.000 0.289 423 G HA3 -0.391 3.569 3.960 0.000 0.000 0.289 423 G C 0.799 175.712 174.900 0.021 0.000 1.169 423 G CA 0.942 46.079 45.100 0.062 0.000 0.980 423 G HN 0.601 nan 8.290 nan 0.000 0.550 424 D N 1.266 121.662 120.400 -0.007 0.000 2.263 424 D HA 0.183 4.823 4.640 0.000 0.000 0.208 424 D C 1.462 177.722 176.300 -0.066 0.000 0.971 424 D CA 1.430 55.409 54.000 -0.035 0.000 0.867 424 D CB -0.059 40.715 40.800 -0.043 0.000 0.929 424 D HN 0.647 nan 8.370 nan 0.000 0.492 425 Q N -0.777 118.973 119.800 -0.083 0.000 2.468 425 Q HA -0.259 4.081 4.340 0.000 0.000 0.289 425 Q C -0.342 175.534 176.000 -0.206 0.000 1.299 425 Q CA 0.023 55.754 55.803 -0.121 0.000 0.838 425 Q CB -1.172 27.531 28.738 -0.058 0.000 1.195 425 Q HN 0.209 nan 8.270 nan 0.000 0.456 426 R N 0.218 120.547 120.500 -0.285 0.000 2.538 426 R HA 0.172 4.512 4.340 0.000 0.000 0.282 426 R C -0.411 175.567 176.300 -0.537 0.000 1.009 426 R CA 0.156 56.046 56.100 -0.349 0.000 1.063 426 R CB 0.692 30.796 30.300 -0.326 0.000 0.945 426 R HN 0.115 nan 8.270 nan 0.000 0.414 427 V N 7.151 126.868 119.914 -0.329 0.000 2.508 427 V HA 0.007 4.127 4.120 0.000 0.000 0.281 427 V C 0.504 176.475 176.094 -0.206 0.000 1.041 427 V CA 0.372 62.516 62.300 -0.260 0.000 1.016 427 V CB 0.740 32.482 31.823 -0.135 0.000 0.984 427 V HN 0.848 nan 8.190 nan 0.000 0.478 428 Y N 2.756 123.055 120.300 -0.001 0.000 2.503 428 Y HA 0.456 5.006 4.550 0.000 0.000 0.277 428 Y C 1.378 177.309 175.900 0.052 0.000 1.102 428 Y CA 0.249 58.365 58.100 0.028 0.000 1.261 428 Y CB 0.877 39.367 38.460 0.051 0.000 1.096 428 Y HN 0.719 nan 8.280 nan 0.000 0.546 429 G N 0.189 109.111 108.800 0.203 0.000 2.732 429 G HA2 0.589 4.550 3.960 0.000 0.000 0.296 429 G HA3 0.589 4.550 3.960 0.000 0.000 0.296 429 G C -2.083 172.881 174.900 0.107 0.000 1.448 429 G CA -0.677 44.511 45.100 0.148 0.000 0.911 429 G HN -0.040 nan 8.290 nan 0.000 0.528 430 L N 1.890 123.072 121.223 -0.070 0.000 2.410 430 L HA 0.601 4.941 4.340 0.000 0.000 0.270 430 L C -0.831 175.974 176.870 -0.108 0.000 0.983 430 L CA -0.952 53.873 54.840 -0.024 0.000 0.822 430 L CB 2.603 44.447 42.059 -0.359 0.000 1.285 430 L HN 0.507 nan 8.230 nan 0.000 0.409 431 H N 2.653 121.929 119.070 0.344 0.000 2.667 431 H HA 0.367 4.923 4.556 0.000 0.000 0.353 431 H C -1.852 173.753 175.328 0.461 0.000 1.072 431 H CA -0.558 55.742 56.048 0.420 0.000 1.214 431 H CB 3.052 33.071 29.762 0.428 0.000 1.600 431 H HN 0.581 nan 8.280 nan 0.000 0.527 432 Y N 3.244 123.806 120.300 0.436 0.000 2.361 432 Y HA 0.409 4.959 4.550 0.000 0.000 0.328 432 Y C -1.610 174.526 175.900 0.393 0.000 1.044 432 Y CA -0.714 57.547 58.100 0.267 0.000 1.085 432 Y CB 1.007 39.586 38.460 0.199 0.000 1.194 432 Y HN 0.486 nan 8.280 nan 0.000 0.438 433 I N 6.874 127.478 120.570 0.057 0.000 2.336 433 I HA 0.822 4.992 4.170 0.000 0.000 0.292 433 I C 0.397 176.332 176.117 -0.302 0.000 0.991 433 I CA -0.153 61.171 61.300 0.040 0.000 1.227 433 I CB 1.281 39.342 38.000 0.101 0.000 1.366 433 I HN 0.881 nan 8.210 nan 0.000 0.466 434 G N 6.302 115.056 108.800 -0.078 0.000 2.345 434 G HA2 0.194 4.154 3.960 0.000 0.000 0.285 434 G HA3 0.194 4.154 3.960 0.000 0.000 0.285 434 G C -3.314 171.797 174.900 0.351 0.000 1.297 434 G CA -0.854 44.256 45.100 0.016 0.000 0.875 434 G HN 0.249 nan 8.290 nan 0.000 0.506 435 P HA 0.326 nan 4.420 nan 0.000 0.265 435 P C 0.878 178.428 177.300 0.416 0.000 1.193 435 P CA 1.353 64.685 63.100 0.387 0.000 0.765 435 P CB 0.864 32.758 31.700 0.322 0.000 0.823 436 V N -0.505 119.612 119.914 0.338 0.000 5.726 436 V HA -0.305 3.815 4.120 0.000 0.000 0.260 436 V C 1.141 177.353 176.094 0.197 0.000 0.657 436 V CA 1.016 63.474 62.300 0.263 0.000 0.584 436 V CB -2.804 29.130 31.823 0.186 0.000 0.241 436 V HN 0.720 nan 8.190 nan 0.000 0.652 437 A N 1.707 124.680 122.820 0.256 0.000 1.929 437 A HA 0.300 4.620 4.320 0.000 0.000 0.216 437 A C 2.293 179.863 177.584 -0.023 0.000 1.176 437 A CA 1.905 54.039 52.037 0.162 0.000 0.628 437 A CB -0.698 18.523 19.000 0.369 0.000 0.816 437 A HN 1.784 nan 8.150 nan 0.000 0.444 438 G N -0.313 108.494 108.800 0.011 0.000 2.403 438 G HA2 -0.118 3.842 3.960 0.000 0.000 0.216 438 G HA3 -0.118 3.842 3.960 0.000 0.000 0.216 438 G C 1.306 176.223 174.900 0.029 0.000 1.154 438 G CA 0.855 45.956 45.100 0.003 0.000 0.784 438 G HN 0.470 nan 8.290 nan 0.000 0.538 439 E N 0.697 120.933 120.200 0.059 0.000 2.110 439 E HA -0.087 4.263 4.350 0.000 0.000 0.193 439 E C 2.801 179.389 176.600 -0.019 0.000 0.988 439 E CA 0.726 57.144 56.400 0.029 0.000 0.804 439 E CB -0.656 29.077 29.700 0.054 0.000 0.745 439 E HN 0.339 nan 8.360 nan 0.000 0.458 440 V N 1.661 121.536 119.914 -0.064 0.000 2.307 440 V HA -0.186 3.934 4.120 0.000 0.000 0.245 440 V C 2.360 178.479 176.094 0.041 0.000 1.045 440 V CA 1.111 63.366 62.300 -0.076 0.000 1.024 440 V CB -0.262 31.332 31.823 -0.382 0.000 0.651 440 V HN 0.193 nan 8.190 nan 0.000 0.449 441 I N -0.107 120.447 120.570 -0.026 0.000 2.353 441 I HA -0.168 4.002 4.170 0.000 0.000 0.248 441 I C 2.508 178.625 176.117 0.001 0.000 1.119 441 I CA 1.307 62.615 61.300 0.013 0.000 1.417 441 I CB -1.021 36.941 38.000 -0.062 0.000 1.078 441 I HN 0.405 nan 8.210 nan 0.000 0.421 442 Q N 1.445 121.223 119.800 -0.037 0.000 2.082 442 Q HA -0.218 4.122 4.340 0.000 0.000 0.211 442 Q C 2.142 178.085 176.000 -0.094 0.000 1.002 442 Q CA 2.711 58.481 55.803 -0.056 0.000 0.868 442 Q CB -0.846 27.865 28.738 -0.045 0.000 0.931 442 Q HN 0.481 nan 8.270 nan 0.000 0.414 443 G N -1.659 107.043 108.800 -0.163 0.000 2.443 443 G HA2 -0.187 3.774 3.960 0.000 0.000 0.219 443 G HA3 -0.187 3.774 3.960 0.000 0.000 0.219 443 G C 0.956 175.654 174.900 -0.336 0.000 1.131 443 G CA 0.623 45.559 45.100 -0.273 0.000 0.775 443 G HN 0.379 nan 8.290 nan 0.000 0.547 444 F N 1.574 121.402 119.950 -0.203 0.000 2.259 444 F HA 0.184 4.711 4.527 0.000 0.000 0.298 444 F C 2.907 178.580 175.800 -0.212 0.000 1.088 444 F CA 0.564 58.406 58.000 -0.263 0.000 1.358 444 F CB -0.261 38.467 39.000 -0.454 0.000 1.040 444 F HN 0.216 nan 8.300 nan 0.000 0.505 445 A N 0.015 122.825 122.820 -0.016 0.000 1.972 445 A HA -0.071 4.249 4.320 0.000 0.000 0.219 445 A C 2.404 179.957 177.584 -0.051 0.000 1.169 445 A CA 1.716 53.725 52.037 -0.045 0.000 0.635 445 A CB -1.147 17.820 19.000 -0.055 0.000 0.810 445 A HN 0.292 nan 8.150 nan 0.000 0.446 446 A N -0.333 122.444 122.820 -0.072 0.000 1.929 446 A HA 0.277 4.597 4.320 0.000 0.000 0.216 446 A C 2.457 179.998 177.584 -0.071 0.000 1.176 446 A CA 1.693 53.685 52.037 -0.075 0.000 0.628 446 A CB -0.846 18.097 19.000 -0.095 0.000 0.816 446 A HN 0.957 nan 8.150 nan 0.000 0.444 447 A N -0.484 122.287 122.820 -0.082 0.000 1.898 447 A HA -0.018 4.302 4.320 0.000 0.000 0.216 447 A C 2.104 179.665 177.584 -0.037 0.000 1.181 447 A CA 1.565 53.564 52.037 -0.064 0.000 0.620 447 A CB -0.593 18.373 19.000 -0.056 0.000 0.819 447 A HN 0.441 nan 8.150 nan 0.000 0.442 448 L N -0.224 120.982 121.223 -0.028 0.000 2.042 448 L HA -0.167 4.173 4.340 0.000 0.000 0.210 448 L C 2.404 179.264 176.870 -0.018 0.000 1.076 448 L CA 1.853 56.679 54.840 -0.024 0.000 0.749 448 L CB -0.229 41.817 42.059 -0.022 0.000 0.893 448 L HN 0.279 nan 8.230 nan 0.000 0.432 449 K N -1.083 119.303 120.400 -0.024 0.000 2.362 449 K HA -0.029 4.291 4.320 0.000 0.000 0.200 449 K C 1.522 178.108 176.600 -0.022 0.000 1.046 449 K CA 1.158 57.433 56.287 -0.020 0.000 0.952 449 K CB 0.034 32.517 32.500 -0.028 0.000 0.753 449 K HN 0.321 nan 8.250 nan 0.000 0.466 450 S N -0.546 115.135 115.700 -0.030 0.000 2.577 450 S HA 0.138 4.608 4.470 0.000 0.000 0.219 450 S C 0.781 175.365 174.600 -0.027 0.000 0.962 450 S CA 0.381 58.563 58.200 -0.030 0.000 0.921 450 S CB 0.983 64.159 63.200 -0.040 0.000 0.789 450 S HN 0.492 nan 8.310 nan 0.000 0.497 451 G N 1.904 110.690 108.800 -0.024 0.000 2.165 451 G HA2 -0.204 3.756 3.960 0.000 0.000 0.226 451 G HA3 -0.204 3.756 3.960 0.000 0.000 0.226 451 G C -0.068 174.806 174.900 -0.043 0.000 1.035 451 G CA -0.448 44.636 45.100 -0.027 0.000 0.744 451 G HN 0.494 nan 8.290 nan 0.000 0.501 452 L N 1.899 123.094 121.223 -0.045 0.000 2.640 452 L HA 0.288 4.629 4.340 0.000 0.000 0.280 452 L C 1.260 178.080 176.870 -0.083 0.000 1.229 452 L CA 1.791 56.598 54.840 -0.054 0.000 0.919 452 L CB 0.213 42.249 42.059 -0.039 0.000 1.168 452 L HN 0.607 nan 8.230 nan 0.000 0.496 453 T N 1.989 116.491 114.554 -0.086 0.000 2.948 453 T HA 0.340 4.690 4.350 0.000 0.000 0.285 453 T C 1.521 176.144 174.700 -0.128 0.000 1.019 453 T CA -1.037 60.995 62.100 -0.113 0.000 1.013 453 T CB 1.582 70.395 68.868 -0.093 0.000 1.117 453 T HN 0.402 nan 8.240 nan 0.000 0.533 454 I N 1.455 121.928 120.570 -0.163 0.000 2.208 454 I HA -0.155 4.015 4.170 0.000 0.000 0.245 454 I C 2.254 178.253 176.117 -0.196 0.000 1.097 454 I CA 1.262 62.418 61.300 -0.240 0.000 1.363 454 I CB -1.493 36.318 38.000 -0.314 0.000 1.051 454 I HN 0.664 nan 8.210 nan 0.000 0.413 455 N N 0.632 119.255 118.700 -0.129 0.000 2.120 455 N HA -0.151 4.589 4.740 0.000 0.000 0.188 455 N C 1.920 177.386 175.510 -0.073 0.000 1.024 455 N CA 2.168 55.163 53.050 -0.091 0.000 0.852 455 N CB -0.576 37.875 38.487 -0.059 0.000 1.003 455 N HN 0.516 nan 8.380 nan 0.000 0.424 456 T N -0.559 113.955 114.554 -0.066 0.000 2.896 456 T HA -0.015 4.335 4.350 0.000 0.000 0.263 456 T C 2.035 176.712 174.700 -0.038 0.000 1.050 456 T CA 0.346 62.418 62.100 -0.047 0.000 1.140 456 T CB -0.515 68.328 68.868 -0.042 0.000 0.877 456 T HN 0.021 nan 8.240 nan 0.000 0.457 457 L N 0.830 122.023 121.223 -0.051 0.000 2.013 457 L HA 0.165 4.505 4.340 0.000 0.000 0.212 457 L C 2.232 179.084 176.870 -0.029 0.000 1.073 457 L CA 1.626 56.451 54.840 -0.025 0.000 0.753 457 L CB -0.660 41.350 42.059 -0.082 0.000 0.890 457 L HN 0.385 nan 8.230 nan 0.000 0.432 458 I N -0.947 119.573 120.570 -0.083 0.000 3.419 458 I HA -0.073 4.098 4.170 0.000 0.000 0.286 458 I C 0.970 177.060 176.117 -0.045 0.000 1.268 458 I CA 0.321 61.571 61.300 -0.083 0.000 1.414 458 I CB -0.097 37.810 38.000 -0.156 0.000 1.074 458 I HN 0.396 nan 8.210 nan 0.000 0.457 459 N N 0.038 118.716 118.700 -0.037 0.000 2.187 459 N HA 0.094 4.834 4.740 0.000 0.000 0.212 459 N C -0.014 175.488 175.510 -0.013 0.000 1.152 459 N CA 0.126 53.162 53.050 -0.023 0.000 0.872 459 N CB 0.564 39.035 38.487 -0.026 0.000 1.025 459 N HN 0.065 nan 8.380 nan 0.000 0.514 460 T N 1.854 116.405 114.554 -0.004 0.000 2.784 460 T HA 0.124 4.474 4.350 0.000 0.000 0.291 460 T C 0.792 175.501 174.700 0.015 0.000 0.942 460 T CA -0.049 62.054 62.100 0.005 0.000 1.161 460 T CB 1.173 70.054 68.868 0.022 0.000 0.885 460 T HN -0.182 nan 8.240 nan 0.000 0.534 461 V N 3.900 123.818 119.914 0.007 0.000 2.673 461 V HA 0.292 4.412 4.120 0.000 0.000 0.303 461 V C 1.355 177.466 176.094 0.028 0.000 1.046 461 V CA -0.424 61.883 62.300 0.012 0.000 1.126 461 V CB 0.535 32.361 31.823 0.006 0.000 0.934 461 V HN 1.001 nan 8.190 nan 0.000 0.487 462 G N 4.163 112.986 108.800 0.037 0.000 2.503 462 G HA2 0.494 4.454 3.960 0.000 0.000 0.257 462 G HA3 0.494 4.454 3.960 0.000 0.000 0.257 462 G C -0.408 174.537 174.900 0.075 0.000 1.214 462 G CA -0.685 44.453 45.100 0.064 0.000 0.839 462 G HN 0.672 nan 8.290 nan 0.000 0.559 463 I N 1.210 121.833 120.570 0.088 0.000 2.304 463 I HA 0.178 4.348 4.170 0.000 0.000 0.291 463 I C -0.201 176.008 176.117 0.153 0.000 1.018 463 I CA -0.559 60.797 61.300 0.093 0.000 1.260 463 I CB 1.031 39.064 38.000 0.056 0.000 1.390 463 I HN 0.460 nan 8.210 nan 0.000 0.475 464 H N 7.790 126.883 119.070 0.039 0.000 2.495 464 H HA 0.573 5.129 4.556 0.000 0.000 0.348 464 H C -2.445 172.914 175.328 0.051 0.000 1.113 464 H CA -1.928 54.149 56.048 0.048 0.000 1.195 464 H CB 1.504 31.292 29.762 0.043 0.000 1.521 464 H HN 0.330 nan 8.280 nan 0.000 0.509 465 P HA 0.309 nan 4.420 nan 0.000 0.297 465 P C -1.210 176.068 177.300 -0.038 0.000 1.331 465 P CA -0.631 62.245 63.100 -0.373 0.000 0.803 465 P CB 1.371 32.809 31.700 -0.437 0.000 0.929 466 T N -2.678 111.917 114.554 0.068 0.000 2.841 466 T HA 0.460 4.810 4.350 0.000 0.000 0.296 466 T C 0.820 175.582 174.700 0.102 0.000 1.166 466 T CA -0.115 62.037 62.100 0.087 0.000 1.007 466 T CB 1.289 70.206 68.868 0.081 0.000 1.253 466 T HN 0.318 nan 8.240 nan 0.000 0.511 467 T N -1.893 112.720 114.554 0.099 0.000 3.051 467 T HA 0.295 4.645 4.350 0.000 0.000 0.255 467 T C 2.276 176.983 174.700 0.012 0.000 1.085 467 T CA 0.728 62.861 62.100 0.055 0.000 1.109 467 T CB -0.570 68.410 68.868 0.186 0.000 0.921 467 T HN 0.892 nan 8.240 nan 0.000 0.488 468 A N 3.001 125.868 122.820 0.079 0.000 1.933 468 A HA -0.132 4.188 4.320 0.000 0.000 0.218 468 A C 2.295 180.009 177.584 0.217 0.000 1.175 468 A CA 1.694 53.826 52.037 0.158 0.000 0.628 468 A CB -0.804 18.285 19.000 0.147 0.000 0.814 468 A HN 0.849 nan 8.150 nan 0.000 0.444 469 E N -0.320 119.962 120.200 0.138 0.000 2.333 469 E HA -0.209 4.141 4.350 0.000 0.000 0.198 469 E C 1.176 177.816 176.600 0.066 0.000 1.007 469 E CA 1.029 57.508 56.400 0.131 0.000 0.845 469 E CB -0.235 29.541 29.700 0.126 0.000 0.766 469 E HN 0.538 nan 8.360 nan 0.000 0.507 470 E N 0.640 120.812 120.200 -0.047 0.000 2.118 470 E HA -0.172 4.178 4.350 0.000 0.000 0.195 470 E C 1.692 178.179 176.600 -0.189 0.000 0.992 470 E CA 0.894 57.178 56.400 -0.192 0.000 0.804 470 E CB -0.410 28.981 29.700 -0.515 0.000 0.741 470 E HN 0.385 nan 8.360 nan 0.000 0.458 471 F N 1.296 121.156 119.950 -0.150 0.000 2.126 471 F HA -0.198 4.330 4.527 0.000 0.000 0.299 471 F C 2.740 178.457 175.800 -0.138 0.000 1.096 471 F CA 1.853 59.711 58.000 -0.237 0.000 1.255 471 F CB -0.964 37.681 39.000 -0.591 0.000 0.997 471 F HN 0.086 nan 8.300 nan 0.000 0.479 472 T N -2.326 112.321 114.554 0.154 0.000 3.072 472 T HA -0.052 4.298 4.350 0.000 0.000 0.266 472 T C 1.797 176.509 174.700 0.021 0.000 1.127 472 T CA 0.610 62.764 62.100 0.089 0.000 1.107 472 T CB -0.224 68.708 68.868 0.107 0.000 0.910 472 T HN 0.234 nan 8.240 nan 0.000 0.513 473 R N -0.230 120.274 120.500 0.006 0.000 2.312 473 R HA 0.290 4.630 4.340 0.000 0.000 0.205 473 R C -0.191 176.103 176.300 -0.010 0.000 0.904 473 R CA -0.447 55.649 56.100 -0.008 0.000 1.052 473 R CB -0.104 30.191 30.300 -0.009 0.000 1.014 473 R HN 0.305 nan 8.270 nan 0.000 0.503 474 L N 0.828 122.038 121.223 -0.022 0.000 2.578 474 L HA -0.106 4.234 4.340 0.000 0.000 0.279 474 L C 1.038 177.943 176.870 0.059 0.000 1.227 474 L CA 0.856 55.705 54.840 0.016 0.000 0.900 474 L CB 0.875 42.943 42.059 0.015 0.000 1.144 474 L HN 0.178 nan 8.230 nan 0.000 0.496 475 A N 3.953 126.881 122.820 0.180 0.000 2.414 475 A HA 0.309 4.629 4.320 0.000 0.000 0.165 475 A C 0.295 178.060 177.584 0.300 0.000 1.718 475 A CA -0.221 51.961 52.037 0.241 0.000 1.268 475 A CB -0.064 19.006 19.000 0.117 0.000 1.547 475 A HN 0.447 nan 8.150 nan 0.000 0.462 476 I N 2.639 123.347 120.570 0.229 0.000 2.352 476 I HA 0.325 4.496 4.170 0.000 0.000 0.290 476 I C 0.832 177.062 176.117 0.189 0.000 1.036 476 I CA 0.342 61.746 61.300 0.173 0.000 1.336 476 I CB 1.645 39.714 38.000 0.113 0.000 1.407 476 I HN 0.328 nan 8.210 nan 0.000 0.497 477 T N 2.503 117.048 114.554 -0.015 0.000 2.907 477 T HA 0.365 4.715 4.350 0.000 0.000 0.284 477 T C 0.947 175.575 174.700 -0.119 0.000 1.004 477 T CA -0.758 61.191 62.100 -0.252 0.000 1.063 477 T CB 1.353 69.919 68.868 -0.504 0.000 0.992 477 T HN 0.559 nan 8.240 nan 0.000 0.483 478 K N 0.793 121.012 120.400 -0.301 0.000 2.057 478 K HA -0.109 4.211 4.320 0.000 0.000 0.207 478 K C 2.462 178.987 176.600 -0.124 0.000 1.049 478 K CA 1.136 57.257 56.287 -0.276 0.000 0.931 478 K CB -0.177 32.088 32.500 -0.390 0.000 0.714 478 K HN 0.652 nan 8.250 nan 0.000 0.440 479 R N 1.358 121.770 120.500 -0.147 0.000 2.103 479 R HA -0.193 4.147 4.340 0.000 0.000 0.242 479 R C 2.394 178.660 176.300 -0.058 0.000 1.142 479 R CA 2.197 58.238 56.100 -0.098 0.000 0.960 479 R CB -0.278 29.950 30.300 -0.120 0.000 0.858 479 R HN 0.269 nan 8.270 nan 0.000 0.439 480 S N -1.159 114.507 115.700 -0.056 0.000 2.382 480 S HA -0.047 4.423 4.470 0.000 0.000 0.228 480 S C 1.651 176.257 174.600 0.010 0.000 1.027 480 S CA 1.306 59.496 58.200 -0.016 0.000 0.991 480 S CB -0.442 62.755 63.200 -0.005 0.000 0.823 480 S HN 0.699 nan 8.310 nan 0.000 0.469 481 G N 0.340 109.156 108.800 0.027 0.000 2.184 481 G HA2 -0.205 3.755 3.960 0.000 0.000 0.264 481 G HA3 -0.205 3.755 3.960 0.000 0.000 0.264 481 G C -0.092 174.847 174.900 0.065 0.000 0.975 481 G CA 0.271 45.399 45.100 0.047 0.000 0.642 481 G HN 0.519 nan 8.290 nan 0.000 0.536 482 L N 1.421 122.686 121.223 0.070 0.000 2.467 482 L HA 0.351 4.691 4.340 0.000 0.000 0.270 482 L C 0.897 177.814 176.870 0.077 0.000 1.205 482 L CA -0.753 54.125 54.840 0.064 0.000 0.828 482 L CB 0.493 42.585 42.059 0.056 0.000 1.101 482 L HN 0.230 nan 8.230 nan 0.000 0.479 483 D N 4.768 125.198 120.400 0.051 0.000 2.520 483 D HA -0.039 4.602 4.640 0.000 0.000 0.243 483 D C -1.545 174.770 176.300 0.024 0.000 1.160 483 D CA -0.712 53.313 54.000 0.041 0.000 0.877 483 D CB 1.088 41.903 40.800 0.026 0.000 1.150 483 D HN 0.323 nan 8.370 nan 0.000 0.494 484 P HA -0.006 nan 4.420 nan 0.000 0.245 484 P C -0.289 177.045 177.300 0.056 0.000 1.212 484 P CA 0.199 63.231 63.100 -0.113 0.000 0.774 484 P CB 0.141 31.606 31.700 -0.392 0.000 0.999 485 T N 3.042 117.646 114.554 0.083 0.000 2.832 485 T HA 0.375 4.726 4.350 0.000 0.000 0.313 485 T C -2.596 172.131 174.700 0.044 0.000 1.035 485 T CA -1.605 60.540 62.100 0.075 0.000 0.950 485 T CB 0.926 69.800 68.868 0.009 0.000 0.984 485 T HN 0.069 nan 8.240 nan 0.000 0.486 486 P HA 0.499 nan 4.420 nan 0.000 0.294 486 P C -0.061 177.265 177.300 0.043 0.000 1.389 486 P CA -0.554 62.572 63.100 0.043 0.000 0.875 486 P CB 0.600 32.327 31.700 0.044 0.000 1.018 487 A N 2.375 125.215 122.820 0.033 0.000 2.091 487 A HA -0.135 4.186 4.320 0.000 0.000 0.270 487 A C 0.711 178.321 177.584 0.042 0.000 1.368 487 A CA 0.676 52.731 52.037 0.031 0.000 0.745 487 A CB -2.411 16.605 19.000 0.027 0.000 1.173 487 A HN 0.488 nan 8.150 nan 0.000 0.322 488 S N 0.000 115.725 115.700 0.042 0.000 2.498 488 S HA 0.000 4.470 4.470 0.000 0.000 0.327 488 S CA 0.000 58.237 58.200 0.062 0.000 1.107 488 S CB 0.000 63.224 63.200 0.040 0.000 0.593 488 S HN 0.000 nan 8.310 nan 0.000 0.517